Metacyc cpds by yA52wCF

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abbreviationmiles      inchi
            C(=O)([O-1])CC(C[N+1](C)(C)C)OC(C)=O
(-)o-acetylcarnitine   InChI=1/C9H17NO4/c1-7(11)14-8(5-9(12)13)6-10(2,3)4/h8H,5-6H2,1-4H3
                       InChI=1/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3
 #NAME? CC1(C(O)(C(C)(C)CC(C=1)=O)C=CC(O)C)
                       InChI=1/C13H18O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,16H,8H2,1-4H3
 #NAME? CC(=O)C=CC1(O)(C(C)(C)CC(=O)C=C1C)
                       InChI=1/C20H32/c1-14(2)15-7-9-17-16(13-15)8-10-18-19(3,4)11-6-12-20(17,18)5/h8,13-14,17-18H,6-7
 #NAME? CC(C)C3(CC[CH]2(C1(C)([CH](C(C)(C)CCC1)CC=C2C=3)))
                       InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
 #NAME? CC12(C(=O)CC(C(C)(C)1)CC2)
                       InChI=1/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
 #NAME? CC(NC)C(O)C1(=CC=CC=C1)
                       InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
 #NAME? CC(C)C1(C(O)CC(C)CC1)
                       InChI=1/C12H20O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h7-14H,1-6H2
 #NAME? [cH]2([cH]c1([CH]([OH])[CH]([OH])c3(c1c([cH]2)[cH][cH][cH]3)))
                       InChI=1/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3
 #NAME? [CH2]=C1([CH]([OH])[CH2]C2([CH2][CH]12)([CH]([CH3])[CH3]))
                       InChI=1/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-2
 #NAME? C=C1(C(C2(C)([CH](CC1)C(C)(C)CCC2))CCC(C)=CCOP(=O)(O)OP(O)(O)=O)
-R-LIMONENE            InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
            C=C(C)C1(CCC(C)=CC1)
                       InChI=1/C10H14O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8H,3-5H2,1-2H3
 #NAME? C=C1(C(=O)CC2(C(C)C)([CH]1C2))
            CCCCCCCCCCCCCCCC(=O)OC(OP(=O)([O-1])OCC[N+1](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
                       InChI=1/C38H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36(40)45-38(47-48(42,43)44-35-
1,2-dipalmitoylphosphatidylcholine
            C(OP(O)(=O)OCC[N+1](C)(C)C)C(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCC=CCC
                       InChI=1/C44H76NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(
1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE
            C(O)(=O)C1(C(O)C(O)C=CC=1)
1-2-CIS-DI-OH-BENZOATE InChI=1/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)
            c1(O)(c(O)c2(c(cc1)c3(c(C2)cccc3)))
1-2DHFLUORENE          InChI=1/C13H10O2/c14-12-6-5-10-9-4-2-1-3-8(9)7-11(10)13(12)15/h1-6,14-15H,7H2
            c12(n(C)c(=O)n(C)c(=O)c(n(C)cn1)2)
1-3-7-TRIMETHYLXANTHINEInChI=1/C8H10N4O2/c1-10-4-9-6-5(10)7(13)12(3)8(14)11(6)2/h4H,1-3H3
            [CH3]c1(c([CH3])[cH]c([cH][cH]1)[CH]([OH])[CH2][OH])
                       InChI=1/C10H14O2/c1-7-3-4-9(5-8(7)2)10(12)6-11/h3-5,10-12H,6H2,1-2H3
1-34-DIMETHYLPHENYLETHANE-12-DIOL
            C(NC)C(O)C1(=CC=C(O)C=C1)
                       InChI=1/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3
1-4-HYDROXYPHENYL-2-METHYLAMINOETHAN
            C1([N+1](C=NC=1CC(O)=O)C2(OC(C(O)C2O)COP(O)(O)=O))
                       InChI=1/C10H15N2O9P/c13-7(14)1-5-2-12(4-11-5)10-9(16)8(15)6(21-10)3-20-22(17,18)19/h2,4,6,8-10
1-5-PHOSPHORIBOSYLIMIDAZOLE-4-ACETATE
            c2(n(C)c(=O)[nH]c1(ncn(C)c12))(=O)
1-7-DIMETHYLXANTHINE   InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
            C(N)C(C)O InChI=1/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
1-AMINO-PROPAN-2-OL
            C(N)C(=O)COP(O)(O)=O
                       InChI=1/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)
1-AMINO-PROPAN-2-ONE-3-PHOSPHATE
            C(=O)(O)C(C(O)=O)CC(N)C(O)=O
1-CARBOXYGLUTAMIC_ACID InChI=1/C6H9NO6/c7-3(6(12)13)1-2(4(8)9)5(10)11/h2-3H,1,7H2,(H,8,9)(H,10,11)(H,12,13)
            C([OH])(=O)C(=[CH2])OP([OH])(=O)C([OH])=O
                       InChI=1/C4H5O7P/c1-2(3(5)6)11-12(9,10)4(7)8/h1H2,(H,5,6)(H,7,8)(H,9,10)
1-CARBOXYVINYL-CARBOXYPHOSPHONATE
            C1(=CC([N+1](=O)[O-1])=CC=C(Cl)1)([N+1]([O-1])=O)
                       InChI=1/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H
1-CHLORO-24-DINITROBENZENE
            CC(=O)C(O)C(O)C(O)C(O)COP(O)(O)=O
                       InChI=1/C7H15O9P/c1-3(8)5(10)7(12)6(11)4(9)2-16-17(13,14)15/h4-7,9-12H,2H2,1H3,(H2,13,14,15)
1-DEOXY-D-ALTRO-HEPTULOSE-7-PHOSPHATE
            C(O)C1(C(O)C(O)C(O)CN1)
1-DEOXYNOJIRIMYCIN InChI=1/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2
            CCn1(c2(c(nc1)c([NH2])ncn2))
1-ETHYLADENINE         InChI=1/C7H9N5/c1-2-12-4-11-5-6(8)9-3-10-7(5)12/h3-4H,2H2,1H3,(H2,8,9,10)
            C(O)C1(C(O)C(O)C(C(O1)O)Oc2(c(O)c3(c(cc2)C(=O)c4(c(C3=O)cccc4))))
                       InChI=1/C20H18O9/c21-7-12-17(25)18(26)19(20(27)29-12)28-11-6-5-10-13(16(11)24)15(23)9-4-2-1-3
1-HYDROXY-2-BETA-D-GLUCOSYLOXY-910-AN
                       InChI=1/C9H10O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9-10H,5-6H2
1-INDANOLC1(C2(=C(CC1)C=CC=C2))(O)
1-INDANONE             InChI=1/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
            c1(ccc2(c(c1)C(=O)CC2))
            C(O)C1(OC(C(O)C(O)C(O)1)OC2(OC(CO)C(O)C(O)2)COC3(C(O)C(O)C(O3)CO)(CO))
1-KESTOTRIOSE          InChI=1/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-2
            CC(CC)(O)C(O)C(=O)O
1-KETO-2-METHYLVALERATEInChI=1/C6H12O4/c1-3-6(2,10)4(7)5(8)9/h4,7,10H,3H2,1-2H3,(H,8,9)
            C1(C(O)C(O)C(O)C(O)C(O)1)(OP(O)([O-1])=O)
1-L-MYO-INOSITOL-1-PInChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-1
            C(O)C1(C(OC(O)C(O)C1O)SC(=NOS(O)(=O)=O)Cc2(cn(OC)c3(c2cccc3)))
                       InChI=1/C17H22N2O10S2/c1-27-19-7-9(10-4-2-3-5-12(10)19)6-13(18-29-31(24,25)26)30-17-11(8-20)1
1-METHOXY-3-INDOLYLMETHYL-GLUCOSINOLATE
            C1(C=C(CCN(=O)1C)c2(ccccc2))
                       InChI=1/C12H15NO/c1-13(14)9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
1-METHYL-4-PHENYL-1236-TETRAHYDRO-N-OX
            C1(CC(=CCN(C)1)C2(=CC=CC=C2))
                       InChI=1/C12H15N/c1-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
1-METHYL-4-PHENYL-1236-TETRAHYDROPYRI
            COC1(C(O)C(O)C(O)C(O)C1O)
1-METHYL-MYO-INOSITOL  InChI=1/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3
            C1(N(C)C=NC2(C=1N=CN=2))(N)
1-METHYLADENINE InChI=1/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3
            C1(OC(CO)C(O)C(O)1)N2(C3(=C(N=C2)C(=N)N(C)C=N3))
1-METHYLADENOSINE InChI=1/C11H15N5O4/c1-15-3-14-10-6(9(15)12)13-4-16(10)11-8(19)7(18)5(2-17)20-11/h3-5,7-8,11-12
            C(O)C1(OC(C(O)C(O)C1O)OC(=O)c2(cc(O)c(O)c(c2)O))
                       InChI=1/C13H16O10/c14-3-7-9(18)10(19)11(20)13(22-7)23-12(21)4-1-5(15)8(17)6(16)2-4/h1-2,7,9-11
1-O-GALLOYL-BETA-D-GLUCOSE
            C(=O)(OC1(OC(CO)C(O)C(O)C(O)1))C=Cc2(cc(OC)c(O)c(c2)OC)
                       InChI=1/C17H22O10/c1-24-9-5-8(6-10(25-2)13(9)20)3-4-12(19)27-17-16(23)15(22)14(21)11(7-18)26-1
1-O-SINAPOYL-BETA-D-GLUCOSE
            C(O)C1(OC(C(O)C(O)C1O)OC(=O)C=Cc2(ccccc2))
                       InChI=1/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,
1-O-TRANS-CINNAMOYL-BETA-D-GLUCOPYRANOSE
            [CH2](OC(=O)c1([cH]c([OH])c([OH])c([OH])[cH]1))[CH]2(O[CH]([CH]([OH])[CH]([OH])[CH]([OH])2)OC(=O)c3([cH]c([O
                       InChI=1/C20H20O14/c21-8-1-6(2-9(22)13(8)25)18(30)32-5-12-15(27)16(28)17(29)20(33-12)34-19(31)
1-O6-O-DIGALLOYL-BETA-D-GLUCOSE
            C(O[CH2][CH]([OH])[CH2]OP([OH])(=O)[OH])(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH
                       InChI=1/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h1
1-PALMITOYLGLYCEROL-3-PHOSPHATE
           CC(O)C1(=CC=CC=C1)
1-PHENYLETHANOL InChI=1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
           C(=O)(O)C1(CCCN=1)
1-PYROLINE-2-CARBOXYLATEInChI=1/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)
           C(O)C1(OC(C(O)C(O)C1O)Oc2(c(OC)cc(cc2OC)C=CC(O)=O))
1-SINAPOYL-D-GLUCOSE    InChI=1/C17H22O10/c1-24-9-5-8(3-4-12(19)20)6-10(25-2)16(9)27-17-15(23)14(22)13(21)11(7-18)26-1
           C=C1(C(OC(=O)C)CCC2(C)([CH]1C[CH]3(C(C)(C)C(C(C2)O)=C(C)CC3)))
                        InChI=1/C22H34O3/c1-13-7-8-16-11-17-14(2)19(25-15(3)23)9-10-22(17,6)12-18(24)20(13)21(16,4)5/h
10-BETA-HYDROXYTAXA-42011-DIEN-5-ALPH
           CC(=O)OC12([CH](OC1)CC(O)C3(C)(C(=O)C(O)C4(C(C)(C)C(O)(C([CH]23)O)CC(O)C=4C)))
                        InChI=1/C22H32O9/c1-9-11(24)7-22(29)18(28)16-20(5,17(27)15(26)14(9)19(22,3)4)12(25)6-13-21(16,
10-DEACETYL-2-DEBENZOYLBACCATIN-III
           CC(=O)OC12([CH](OC1)CC(O)C3(C)([CH]2C(C4(O)(C(C)(C)C(C(O)C3=O)=C(C)C(C4)O))OC(=O)c5(ccccc5)))
10-DEACETYLBACCATIN-III InChI=1/C29H36O10/c1-14-17(31)12-29(36)24(38-25(35)16-9-7-6-8-10-16)22-27(5,23(34)21(33)20(14
           CC=C1(C2([CH](CO)[CH]3(N(C1)[CH](C2)c4(c(C3)c5(c(n4)cccc5)))))
10-DEOXYSARPAGINE InChI=1/C19H22N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2
           C=C1(C(OC(=O)C)CCC3(C)([CH]1C(OC(=O)C)[CH]2(C(OC(=O)C)CC(C)=C(C(C)2C)C(C3)O)))
                        InChI=1/C26H38O7/c1-13-11-20(32-16(4)28)23-24(33-17(5)29)22-14(2)19(31-15(3)27)9-10-26(22,8)12
10-DESACETYLTAXUYUNNANIN-C
           C2(C(Nc1(c(=O)[nH]c(N)nc1N2))CN(C=O)c3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O))
10-FORMYL-THF           InChI=1/C20H23N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31
           C(O)(=O)CCCCCCCCCO
10-HYDROXYDECANOATE     InChI=1/C10H20O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h11H,1-9H2,(H,12,13)
           C2(N(C)c4(c(c1(c(O)cc3(c(c12)OCO3)))ccc5(c4cc6(c(c5)OCO6))))
                        InChI=1/C20H15NO5/c1-21-7-13-18(14(22)6-17-20(13)26-9-25-17)11-3-2-10-4-15-16(24-8-23-15)5-12
10-HYDROXYDIHYDROSANGUINARINE
           C([OH])(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]=O
10-OXODECANOATE InChI=1/C10H18O3/c11-9-7-5-3-1-2-4-6-8-10(12)13/h9H,1-8H2,(H,12,13)
11-DCE     C=C(Cl)Cl InChI=1/C2H2Cl2/c1-2(3)4/h1H2
           CC12(C(=CC(=O)CC1)CC[CH]3([CH]4(C(C)(CC[CH]23)C(O)(CC4)C(=O)CO)))
11-DEOXY-CORTISOL InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-2
           CC12(C(=CC(=O)CC1)CCC3(C4(C(C)(CCC23)C(CC4)C(=O)CO)))
11-DEOXYCORTICOSTERONE  InChI=1/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h
           CCC15([CH]4(C3([CH](C(O)(C(O)1)C(=O)OC)N(C)c2(cc(O)ccc23))(CCN4CC=C5)))
                        InChI=1/C22H28N2O5/c1-4-20-8-5-10-24-11-9-21(16(20)24)14-7-6-13(25)12-15(14)23(2)17(21)22(28,
11-O-DEMETHYL-17-O-DEACETYLVINDOLINE
           c12(c(cccc1)C(=O)C3([CH](O)C=CC=C23)(O))
                        InChI=1/C13H10O3/c14-11-7-3-6-10-8-4-1-2-5-9(8)12(15)13(10,11)16/h1-7,11,14,16H
110-DIHYDRO-110-DIHYDROXYFLUOREN-9-ONE
           C(Cl)(C)(Cl)Cl
111-TRICHLOROETHANE     InChI=1/C2H3Cl3/c1-2(3,4)5/h1H3
           C(Cl)(Cl)(Cl)CCl
1112-TETRACHLOROETHANE  InChI=1/C2H2Cl4/c3-1-2(4,5)6/h1H2
           C(N)CCCCCCCCCCCN
112-DIAMINOOCTANE InChI=1/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
           C(Cl)(Cl)CCl InChI=1/C2H3Cl3/c3-1-2(4)5/h2H,1H2
112-TRICHLOROETHANE
           C(Cl)(Cl)C(Cl)Cl
1122-TETRACHLOROETHANE  InChI=1/C2H2Cl4/c3-1(4)2(5)6/h1-2H
           C(=O)(O)C1(C(O)C(O)C(C(O1)O)OC2(C(O)C(O)C(O)C(O2)C(O)=O))
                        InChI=1/C12H18O13/c13-1-2(14)7(10(20)21)24-12(5(1)17)25-8-4(16)3(15)6(9(18)19)23-11(8)22/h1-8,
12-BETA-D-GLUCURONOSYL-D-GLUCURONATE
           C1(C(C(O)C(O)C(O1)CO)OC(=O)C=Cc2(cc(OC)c(O)c(c2)OC))(OC(=O)C=Cc3(cc(OC)c(O)c(c3)OC))
                        InChI=1/C28H32O14/c1-36-16-9-14(10-17(37-2)23(16)32)5-7-21(30)41-27-26(35)25(34)20(13-29)40-2
12-BIS-O-SINAPOYL-BETA-D-GLUCOSIDE
           [CH2]([OH])[CH](c1([cH]c(O[CH3])c(O[CH3])[cH][cH]1))[CH]([OH])c2([cH]c(O[CH3])c(O[CH3])[cH][cH]2)
                        InChI=1/C19H36O6/c1-22-15-7-5-12(9-17(15)24-3)14(11-20)19(21)13-6-8-16(23-2)18(10-13)25-4/h12
12-BIS34-DIMETHOXYPHENYLPROPANE-13-
           COc1(cc(ccc1O)C=Cc2(cc(OC)c(O)cc2))
                        InChI=1/C16H16O4/c1-19-15-9-11(5-7-13(15)17)3-4-12-6-8-14(18)16(10-12)20-2/h3-10,17-18H,1-2H3
12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE
           C1([N+1](C)=C(c2(c(C1)cc(c(c2)O)OC))Cc3(cc(O)c(OC)cc3))
12-DEHYDRORETICULINIUM  InChI=1/C19H21NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4
           [CH3]C4(C1(=C(C(=O)C2([CH]([CH2]1)[CH](N([CH3])[CH3])C([OH])=C(C(=O)[NH2])C(=O)2)([OH]))C(=O)c3(c([OH])[cH
12-DEHYDROTETRACYCLINE  InChI=1/C22H22N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30
           C(Br)CBr
12-DIBROMOETHANE InChI=1/C2H4Br2/c3-1-2-4/h1-2H2
           C(Cl)CCl
12-DICHLOROETHANE InChI=1/C2H4Cl2/c3-1-2-4/h1-2H2
           [CH2](OC(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3])[CH]([CH2][OH])OC(=O)[CH2][CH2][CH2][CH2][CH
12-DIDECANOYLGLYCEROL   InChI=1/C23H44O5/c1-3-5-7-9-11-13-15-17-22(25)27-20-21(19-24)28-23(26)18-16-14-12-10-8-6-4-2/h
           C1(=O)([CH]([CH3])[CH]2([CH](O1)[CH]3(C([CH2][CH2]2)([CH3])[CH]=[CH]C([OH])=C([CH3])3)))
12-DIHYDROSANTONINInChI=1/C15H20O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,12-13,16H,4,6
           CC=C2(C1(C3(C(OC(C)=O)C45([CH]([CH](C1)N(C(O)2)[CH]3C4)Nc6(c5cccc6)))))
12-DIHYDROVOMILENINE    InChI=1/C21H24N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(
           CC1(C(O)(C(O)=O)C(O)C=CC=1)
                        InChI=1/C8H10O4/c1-5-3-2-4-6(9)8(5,12)7(10)11/h2-4,6,9,12H,1H3,(H,10,11)
12-DIHYDROXY-6-METHYLCYCLOHEXA-35-DIEN
           c1(cc2(c(cc1)c3(c(s2)ccc(O)c3O)))
                        InChI=1/C12H8O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,13-14H
12-DIHYDROXYDIBENZOTHIOPHENE
           C3(c1(c(c(OC)cc2(c1OCO2))c4(c(N3C)c5(c(c(c4)O)cc6(c(c5)OCO6)))))
                        InChI=1/C21H17NO6/c1-22-7-13-19(17(24-2)6-18-21(13)28-9-27-18)12-3-14(23)10-4-15-16(26-8-25-1
12-HYDROXYDIHYDROCHELIRUBINE
           C(=O)(O)CCCCCCCCC=CC=O
12-OXO-C-9-DODECENOATE  InChI=1/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,11H,1-6,8,10H2,(H,14,15)
           C(=O)CC=CCCCCCCCC(O)=O
12-OXO-CIS-9-DODECENOATEInChI=1/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h5,7,11H,1-4,6,8-10H2,(H,14,15)
           C(=O)(O)CCCCCCCCC=CC=O
                        InChI=1/C12H20O3/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h7,9,11H,1-6,8,10H2,(H,14,15)
12-OXO-TRANS-10-DODECENOATE
           CC(O)COP(O)(O)=O
                        InChI=1/C3H9O5P/c1-3(4)2-8-9(5,6)7/h3-4H,2H2,1H3,(H2,5,6,7)
12-PROPANEDIOL-1-PHOSPHATE
           C(OC(=O)c1(cc(O)c(O)c(c1)O))C5(C(OC(=O)c2(cc(O)c(O)c(c2)O))C(OC(=O)c3(cc(O)c(O)c(c3)O))C(OC(=O)c4(cc(O)c(O
                        InChI=1/C41H32O26/c42-17-1-12(2-18(43)28(17)52)36(57)62-11-27-33(64-37(58)13-3-19(44)29(53)20
12346-PENTAKIS-O-GALLOYL-BETA-D-GLUC
           C1(O)(C=C(O)C(O)=C(O)C=1)
1235-TETRAHYDROXYBENZENEInChI=1/C6H6O4/c7-3-1-4(8)6(10)5(9)2-3/h1-2,7-10H
           C(OC(=O)c1(cc(O)c(O)c(c1)O))C4(C(O)C(OC(=O)c2(cc(O)c(O)c(c2)O))C(OC(=O)c3(cc(O)c(O)c(c3)O))C(O4)OC(=O)c5(c
                        InChI=1/C34H28O22/c35-14-1-10(2-15(36)23(14)43)30(48)52-9-22-27(47)28(54-31(49)11-3-16(37)24(
1236-TETRAKIS-O-GALLOYL-BETA-D-GLUCOS
                        InChI=1/C6H3Cl3/c7-4-1-2-5(8)6(9)3-4/h1-3H
124-TCB C1(=C(Cl)C=CC(=C1)Cl)(Cl)
           CC=C(C)C(=O)OC1(C[CH]2(N(CC1)CC3([CH]4(N(CC2C3)C(=O)CCC4))))
                        InChI=1/C20H30N2O3/c1-3-13(2)20(24)25-16-7-8-21-11-14-9-15(18(21)10-16)12-22-17(14)5-4-6-19(2
13-2-METHYLCROTONOYLOXYLUPININE
           C(Br)C(=O)CBr
13-DIBROMOPROPAN-2-ONE  InChI=1/C3H4Br2O/c4-1-3(6)2-5/h1-2H2
           Cn2(c1(c(c(O)cc(c1)O)c(=O)c3(c2cccc3)))
                        InChI=1/C14H11NO3/c1-15-10-5-3-2-4-9(10)14(18)13-11(15)6-8(16)7-12(13)17/h2-7,16-17H,1H3
13-DIHYDROXY-N-METHYLACRIDONE
            c1(cc(N(O)=O)ccc1)(N(O)=O)
13-DINITROBENZENE InChI=1/C6H6N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
            CCCCCC(OO)C=CC=CCCCCCCCC(O)=O
                       InChI=1/C18H32O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,12,15,17,21H,2
13-HYDROPEROXYOCTADECA-911-DIENOATE
            Cc6(c(C(O)CC(=O)OC)c1(n7([Mg]35(n4(c(C=C2(C(C)=C(C(C=1)=N23)CCC(O)=O))c(C)c(C=C)c4C=C8(N5=C(C=c67)C(C=
                       InChI=1/C35H35N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)1
13-HYDROXY-MAGNESIUM-PROTOPORP
            C1(N2(C(CC(O)C1)C3(CC(C2)C4(N(C3)C(=O)CCC4))))
13-HYDROXYLUPININE InChI=1/C15H24N2O2/c18-12-4-5-16-8-10-6-11(14(16)7-12)9-17-13(10)2-1-3-15(17)19/h10-14,18H,1-
            Cc6(c(C(=O)CC(=O)OC)c1(n7([Mg]35(n4(c(C=C2(C(C)=C(C(C=1)=N23)CCC(O)=O))c(C)c(C=C)c4C=C8(N5=C(C=c67)C(C
                       InChI=1/C35H34N4O5.Mg/c1-8-21-17(3)24-12-25-19(5)23(10-11-33(41)42)30(38-25)15-31-35(32(40)1
131-OXO-MAGNESIUM-PROTOPORPHYRIN-IX-13-M
            CCCCCC(=O)C=CC1(C(C(=O)CC1O)CCCCCCC(O)=O)
                       InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13
13E-11-ALPHA-HYDROXY-915-DIOXOPROST-1
            CC(=CC=CC=O)C=CC=C(C)C=CC1(C(C)(C)CCCC=1C)
14-APO-BETA-CAROTENAL  InChI=1/C22H30O/c1-18(10-6-7-17-23)11-8-12-19(2)14-15-21-20(3)13-9-16-22(21,4)5/h6-8,10-12,14-
            C1(=CC=C(Cl)C=C1)(Cl)
14-DICHLOROBENZENEInChI=1/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
            C1(Cl)(C(O)C(O)C(Cl)=CC=1)
                       InChI=1/C6H6Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,5-6,9-10H
14-DICHLOROBENZENE-DIHYDRODIOL
            C(=O)(C)N[CH]1([CH](O)[CH](O)[CH](CO)O[CH]1)
                       InChI=1/C8H14NO5/c1-4(11)9-5-3-14-6(2-10)8(13)7(5)12/h3,5-8,10,12-13H,2H2,1H3,(H,9,11)
14-N-ACETYL-BETA-D-GLUCOSAMINYLN1
            [CH2]([OH])C(=O)[CH]([OH])[CH]([OH])C(=O)[CH]=O
15-ANHYDRO-D-FRUCTOSE  InChI=1/C6H8O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,5-6,8,11-12H,2H2
            [CH2]([OH])[CH]1([CH]([OH])[CH]([OH])[CH]([OH])[CH2]O1)
15-ANHYDRO-D-GLUCITOL  InChI=1/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2
            C(O)C1(C(O)C(O)C(O)CN1)
                       InChI=1/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2
15-DIDEOXY-15-IMINO-D-GALACTITOL
            CCCCCC(=O)C=CC=CCC=CCC=CCCCC(O)=O
                       InChI=1/C20H30O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17H
15-OXO-5811-CIS-13-TRANS-ICOSATETRAENO
            C1(NC(C(C=C)=C(C)1)=Cc2(nc(c(c(C)2)CCC([O-1])=O)C=C3(N=C(C(C)=C3CCC([O-1])=O)C[CH]4(C(C)=C(C=C)C(=O)N4)
1516-DIHYDROBILIVERDIN InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-2
            CC(=O)C1(C2(C)([CH](CC=1)[CH]3([CH](CC2)C4(C)(C(CC3)=CC(=O)CC4))))
                       InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,1
16-17-DIDEHYDROPROGESTERONE
            CC14(C(C(C)=O)C(O)CC(C2(C(CC1)C3(C(CC2)=CC(=O)CC3)(C)))4)
                       InChI=1/C21H30O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h
16-ALPHA-HYDROXYPROGESTERONE
            [CH3]C12([CH]([CH2][CH]([OH])[CH2][CH2]1)[CH2][CH2][CH]3([CH]4(C([CH3])([CH2][CH2][CH]23)[CH2][CH]([OH])[C
16-ALPHA-HYDROXYSTEROIDInChI=1/C19H32O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-17,20
            [CH3]C12([CH]([CH2][CH]([OH])[CH2][CH2]1)[CH2][CH2][CH]3([CH]4(C([CH3])([CH2][CH2][CH]23)[CH2][CH]([OH])[C
16-BETA-HYDROXYSTEROID InChI=1/C19H32O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-17,20
            C([OH])(=O)C1([CH]([OH])C([CH3])=[CH][CH]=[CH]1)([OH])
                       InChI=1/C8H10O4/c1-5-3-2-4-8(12,6(5)9)7(10)11/h2-4,6,9,12H,1H3,(H,10,11)
16-DIHYDROXY-5-METHYLCYCLOHEXA-24-DIEN
            CC=C1(C2([CH](C=O)[CH]3(N(C1)[CH](C2)c4(c(C3)c5(c(n4)cccc5)))))
16-EPIVELLOSIMINE InChI=1/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2
            C(O)(=O)CCCCCCCCCCCCCCCO
16-HYDROXYPALMITATE    InChI=1/C16H32O3/c17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(18)19/h17H,1-15H2,(H,18,19)
            CCC15([CH]4(C3(C(=C(C1)C(=O)OC)[NH]c2(cc(O)ccc23))(CCN4CC=C5)))
16-HYDROXYTABERSONINE  InChI=1/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)
            CCC13(CC(O)(C(=O)OC)[CH]4(C2(CCN([CH]12)CC=C3)c5(c(N4)cc(OC)cc5)))
                       InChI=1/C22H28N2O4/c1-4-20-8-5-10-24-11-9-21(18(20)24)15-7-6-14(27-2)12-16(15)23-17(21)22(26,
16-METHOXY-23-DIHYDRO-3-HYDROXYTABERSON
            [CH3]C12([CH]([CH2][CH]([OH])[CH2][CH2]1)[CH2][CH2][CH]3([CH]4(C([CH3])([CH2][CH2][CH]23)[CH2]C(=O)[CH2]4
16-OXOSTEROID          InChI=1/C19H30O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12-13,15
            CC14(C(O)(C(C)=O)CCC(C2(C(CC1)C3(C(CC2)=CC(=O)CC3)(C)))4)
                       InChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h
17-ALPHA-HYDROXYPROGESTERONE
            CC(O)C1(O)(C2(C)([CH](CC1)[CH]3([CH](CC2)C4(C)(C(CC3)=CC(=O)CC4))))
                       InChI=1/C21H32O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h
17-ALPHA20-ALPHA-DIHYDROXYPREGN-4-EN-3-
            [CH3]C12([CH]3([CH]([CH2][CH2][CH]([CH2]C(=O)[CH2][CH2]1)2)[CH]4(C([CH3])([CH2][CH2]3)[CH]([OH])[CH2][CH2
                       InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17
17-BETA-HYDROXY-5ALPHA-ANDROSTAN-3-O
            CC13(C(CC(=O)CC1)CCC4(C2(C(C(O)CC2)(C)CCC34)))
                       InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17
17-BETA-HYDROXYANDROSTAN-3-ONE
            C2([CH](CC)C1(C3(C(OC(C)=O)C45([CH]([CH](C1)N2[CH]3C4)Nc6(c5cccc6)))))(O)
17-O-ACETYLNORAJMALINE InChI=1/C21H26N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(
            CCC15([CH]4(C3([CH](C(C(O)1)(O)C(=O)OC)N(C)c2(cc(OC)ccc23))(CCN4CC=C5)))
17-O-DEACETYLVINDOLINE InChI=1/C23H30N2O5/c1-5-21-9-6-11-25-12-10-22(17(21)25)15-8-7-14(29-3)13-16(15)24(2)18(22)23(
            CC12(C3(C(CCC(=CC(=O)CC1)2)C4(C(CC3)(C)C(O)(C(=O)C)CC4)))
17A-HYDROXY-PROGESTRONEInChI=1/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h
            C(N)CCCCCCCN
18-DIAMINOOCTANE InChI=1/C8H20N2/c9-7-5-3-1-2-4-6-8-10/h1-10H2
            C1(NC(=O)CCCCCNC(=O)CCCC1)
                       InChI=1/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)
18-DIAZACYCLOTETRADECANE-29-DIONE
            CC12(C(=CC(=O)CC1)CC[CH]3([CH]4(C(CO)(C[CH]([CH]23)O)C(CC4)C(=O)CO)))
                       InChI=1/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(1
18-HYDROXYCORTICOSTERONE
            C(O)CCCCCCCC=CCCCCCCCC(=O)O
18-HYDROXYOLEATE InChI=1/C18H34O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,19H,3-17H2,(H,20
18-OXOOLEATE           InChI=1/C18H32O3/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(20)21/h1-2,17H,3-16H2,(H,20
            C(=O)CCCCCCCC=CCCCCCCCC(O)=O
            C(O)C13(C(=CC(=O)CC1)CCC2(C4(C(CCC23)(C)C(O)CC4)))
19-HYDROXYTESTOSTERONE InChI=1/C19H28O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14
            C(=O)C13(C(=CC(=O)CC1)CCC2(C4(C(C)(CCC23)C(O)CC4)))
19-OXO-TESTOSTERONE    InChI=1/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10-11
1F2INDANONE            InChI=1/C10H8O2/c11-6-9-8-4-2-1-3-7(8)5-10(9)12/h1-4,6,9H,5H2
            C(=O)C1(C(=O)Cc2(c1cccc2))
1OXO2YLIDENE           InChI=1/C13H10O4/c14-11(13(16)17)6-5-9-7-8-3-1-2-4-10(8)12(9)15/h1-6,14H,7H2,(H,16,17)
            C(O)(=O)C(O)=CC=C1(C(=O)c2(c(C1)cccc2))
            C(=O)(O)C1(=NC(C(O)=O)CC=C1)
2,3-dihydrodipicolinateInChI=1/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-2,5H,3H2,(H,9,10)(H,11,12)
            C(O)C(O)C(O)C(=O)C(=O)C(O)=O
2,3-diketo-l-gulonate InChI=1/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)
            c1(O)(ccc(O)cn1)
2,5-dihydroxypyridine InChI=1/C5H5NO2/c7-4-1-2-5(8)6-3-4/h1-3,7H,(H,6,8)
            c1(c(c(N)nc(n1)C)CN2(C(C)=C(SC2=C(C)O)CCOP(O)(=O)OP(=O)(O)O))
                       InChI=1/C14H22N4O8P2S/c1-8-12(4-5-25-28(23,24)26-27(20,21)22)29-14(9(2)19)18(8)7-11-6-16-10(3
2-(alpha-hydroxyethyl)-thpp
            C(SC)CC(O)(C(O)=O)CC(=O)O
                       InChI=1/C7H12O5S/c1-13-3-2-7(12,6(10)11)4-5(8)9/h12H,2-4H2,1H3,(H,8,9)(H,10,11)
2-2-METHYLTHIOETHYLMALIC-ACID
            [cH]1([nH]c([CH2][CH2][CH]([NH2])C(=O)[OH])nc1[CH2][CH]([NH2])C(=O)[OH])
                       InChI=1/C10H16N4O4/c11-6(9(15)16)1-2-8-13-4-5(14-8)3-7(12)10(17)18/h4,6-7H,1-3,11-12H2,(H,13,1
2-3-CARBOXY-3-AMINOPROPYL-L-HISTIDINE
          [cH]1([nH]c([CH2][CH2][CH]([NH2+1][CH3])C(=O)[OH])nc1[CH2][CH]([NH2])C(=O)[OH])
                     InChI=1/C11H18N4O4/c1-13-8(11(18)19)2-3-9-14-5-6(15-9)4-7(12)10(16)17/h5,7-8,13H,2-4,12H2,1H3
2-3-CARBOXY-3-METHYLAMMONIOPROPYL-L-
          C(O)(=O)c1(c(O)c(O)ccc1)
2-3-DIHYDROXYBENZOATEInChI=1/C7H6O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,8-9H,(H,10,11)
          C(O)(=O)CCc1(c(O)c(O)ccc1)
                     InChI=1/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,10,13H,4-5H2,(H,11,12)
2-3-DIHYDROXYPHENYL-PROPIONATE
          CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(O)(=O)OP(O)(=O)OCC3(OC(N1(c2(c(N=C1)c(N)ncn2)))C(C(O)3)OC4(OC(C(O)C(
                     InChI=1/C26H44N7O20P3S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-57)9-49-56(45,46)53-55(43,44)4
2-5-PHOSPHORIBOSYL-3-DEPHOSPHO-COA
          C(CS)NC(=O)CCN[C-1](=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OC[CH]1(C([O-1])[CH]([CH](O1)[N-1]2(c3(c(N=C2)c(N)n
                     InChI=1/C26H45N7O26P5S/c1-26(2,20(38)23(39)29-4-3-14(34)28-5-6-65)9-53-63(47,48)58-61(43,44)5
2-5-TRIPHOSPHORIBOSYL-3-DEPHOSPHO-
          C(O)(=O)C(CO)C(C(O)=O)=CNC(=O)C
                     InChI=1/C8H11NO6/c1-4(11)9-2-5(7(12)13)6(3-10)8(14)15/h2,6,10H,3H2,1H3,(H,9,11)(H,12,13)(H,14,
2-ACETAMIDDOMETHYLENE-ETCETERA-SUCCINATE
          C(=O)(C)NC1(=CC2(=C(C=C1)C3(C(C2)=CC=CC=3)))
2-ACETAMIDOFLUORENE  InChI=1/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17
          CC(=O)C(O)(C(O)=O)CC
                     InChI=1/C6H10O4/c1-3-6(10,4(2)7)5(8)9/h10H,3H2,1-2H3,(H,8,9)
2-ACETO-2-HYDROXY-BUTYRATE
          CC(=O)C(C)(O)C(O)=O
2-ACETO-LACTATE      InChI=1/C5H8O4/c1-3(6)5(2,9)4(7)8/h9H,1-2H3,(H,7,8)
          [CH](=O)C=CC(C(O)=O)=C(N)C(O)=O
                     InChI=1/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)
2-AMINO-3-3-OXOPROP-2-ENYL-BUT-2-ENEDI
          [CH](=O)C=CC(C(=O)O)=C(N)C(O)=O
                     InChI=1/C7H7NO5/c8-5(7(12)13)4(6(10)11)2-1-3-9/h1-3H,8H2,(H,10,11)(H,12,13)
2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE
          C(=O)(O)CCC(=O)C(N)C(O)=O
2-AMINO-3-KETOADIPATEInChI=1/C6H9NO5/c7-5(6(11)12)3(8)1-2-4(9)10/h5H,1-2,7H2,(H,9,10)(H,11,12)
          [CH2](OP([OH])(=O)[OH])C(=O)[CH]([NH2])C(=O)[OH]
                     InChI=1/C4H8NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h3H,1,5H2,(H,7,8)(H2,9,10,11)
2-AMINO-3-OXO-4-PHOSPHONOOXYBUTYRATE
          c1(cc(C(O)=O)[nH]c(N)[nH]1)
                     InChI=1/C5H7N3O2/c6-5-7-2-1-3(8-5)4(9)10/h1-2,7-8H,6H2,(H,9,10)
2-AMINO-4-CARBOXYPYRIMIDINE
          C1(=C2(C(=NC(=N1)N)N=CC=N2))(O)
                     InChI=1/C6H5N5O/c7-6-10-4-3(5(12)11-6)8-1-2-9-4/h1-2H,(H3,7,9,10,11,12)
2-AMINO-4-HYDROXYPTERIDINE
          C(O)C(O)C(O)C1(O)(N(O)c2(c(N(O)C1O)nc(N)nc2=O))
                     InChI=1/C9H15N5O8/c10-8-11-5-3(6(18)12-8)14(22)9(20,7(19)13(5)21)4(17)2(16)1-15/h2,4,7,15-17,1
2-AMINO-4-OXO-4-ALPHA-HYDROXY-
          C(O)C(O)C(O)C1(C(O)N(O)c2(c(N1)c(=O)nc(n2)N))
                     InChI=1/C9H15N5O6/c10-9-12-6-4(7(18)13-9)11-3(8(19)14(6)20)5(17)2(16)1-15/h2-3,5,8,11,15-17,19
2-AMINO-4-OXO-6-123-TRIHYDROXYPROP
          CC(=O)CC(N)C(=O)O
                     InChI=1/C5H9NO3/c1-3(7)2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)
2-AMINO-4-OXO-PENTOATE
          C1(=C2(C(=NC(=N1)N)N=C(O)C=N2))(O)
                     InChI=1/C6H5N5O2/c7-6-10-4-3(5(13)11-6)8-1-2(12)9-4/h1H,(H4,7,9,10,11,12,13)
2-AMINO-47-DIHYDROXYPTERIDINE
          C1(OC(C(O)C(O)1)COP(O)(=O)O)Nc2(c(NC=O)c(O)nc(N)n2)
                     InChI=1/C10H16N5O9P/c11-10-14-7(4(12-2-16)8(19)15-10)13-9-6(18)5(17)3(24-9)1-23-25(20,21)22/h
2-AMINO-5-FORMYLAMINO-6-HYDROXY-4-5-PHO
          CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(=C(N)CCC(C1)=O))COP(=O)(O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2OP(
                     InChI=1/C28H43N8O18P3S/c1-28(2,22(40)25(41)32-6-5-18(38)31-7-8-58-27(42)15-9-14(37)3-4-16(15)
2-AMINO-5-OXOCYCLOHEX-1-ENECARBOXYL-COA
          C1(C(C(=O)C(C)=O)=Nc2(c(N(O)1)nc(N)nc2=O))(O)
                     InChI=1/C9H9N5O5/c1-2(15)5(16)3-8(18)14(19)6-4(11-3)7(17)13-9(10)12-6/h8,18-19H,1H3,(H3,10,12
2-AMINO-ETCETERA-DIHYDROXYPTERIDINE
          C(OP(=O)(O)OP(O)(=O)OP(O)(O)=O)C(O)C(O)C1(C(O)N(O)c2(c(N=1)c(=O)nc(N)n2))
                     InChI=1/C9H16N5O15P3/c10-9-12-6-4(7(17)13-9)11-3(8(18)14(6)19)5(16)2(15)1-27-31(23,24)29-32(2
2-AMINO-ETCETERA-TRIPHOSPHATE
          C(O)(=O)C(N)=CC=CC(O)=O
2-AMINO-MUCONATE InChI=1/C6H7NO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,7H2,(H,8,9)(H,10,11)
          C=C(N)C(O)=O
2-AMINOACRYLATE InChI=1/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
          C(O)(=O)C(N)CCCC(=O)O
2-AMINOADIPIC_ACID InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
          C1(=C(N)C=CC=C1)(S(=O)(=O)O)
                     InChI=1/C6H7NO3S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,7H2,(H,8,9,10)
2-AMINOBENZENESULFONATE
          C(SC(=O)c1(c(N)cccc1))CNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O)(O)=
2-AMINOBENZOYL-COA   InChI=1/C28H41N8O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-5-3-4-6-16(15)29)
          C(=O)C(N)C(O)=O
                     InChI=1/C3H5NO3/c4-2(1-5)3(6)7/h1-2H,4H2,(H,6,7)
2-AMINOMALONATE-SEMIALDEHYDE
          [CH](=O)C=CC=C(N)C(O)=O
                     InChI=1/C6H7NO3/c7-5(6(9)10)3-1-2-4-8/h1-4H,7H2,(H,9,10)
2-AMINOMUCONATE_SEMIALDEHYDE
          c1(N)(c(O)cccc1)
2-AMINOPHENOL        InChI=1/C6H7NO/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2
          [CH]1([CH]([OH])[CH]([OH])[CH]([OH])[CH](O1)[CH2][OH])(O[CH]([CH2][OH])[CH2][OH])
                     InChI=1/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2
2-BETA-D-GLUCOSYL-SN-GLYCEROL
          [CH]1([CH]([OH])[CH]([OH])[CH]([OH])[CH](O1)[CH2][OH])(O[CH]([CH2][OH])[CH2]OP([OH])(=O)[OH])
                     InChI=1/C9H19O11P/c10-1-4(3-18-21(15,16)17)19-9-8(14)7(13)6(12)5(2-11)20-9/h4-14H,1-3H2,(H2,1
2-BETA-D-GLUCOSYL-SN-GLYCEROL-3-PHOSPH
          C(N)CBr
2-BROMOETHYLAMINEInChI=1/C2H6BrN/c3-1-2-4/h1-2,4H2
          C(=O)(O)Cc1(c(CCC(O)=O)c(Br)nc1CN)
                     InChI=1/C10H13BrN2O4/c11-10-5(1-2-8(14)15)6(3-9(16)17)7(4-12)13-10/h13H,1-4,12H2,(H,14,15)(H,
2-BROMOPORPHOBILINOGEN
          C(O)C#CCO InChI=1/C4H6O2/c5-3-1-2-4-6/h5-6H,3-4H2
2-BUTYNE-14-DIOL
          C(OP(O)(=O)O)C(O)C(O)(C)CO
                     InChI=1/C5H13O7P/c1-5(8,3-6)4(7)2-12-13(9,10)11/h4,6-8H,2-3H2,1H3,(H2,9,10,11)
2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE
          C([OH])(=O)C([CH2][OH])([OH])[CH]([OH])[CH]([OH])[CH2][OH]
                     InChI=1/C6H12O7/c7-1-3(9)4(10)6(13,2-8)5(11)12/h3-4,7-10,13H,1-2H2,(H,11,12)
2-CARBOXY-D-ARABINITOL
          [CH2](OP([OH])(=O)[OH])C(C(=O)[OH])([OH])[CH]([OH])[CH]([OH])[CH2][OH]
                     InChI=1/C6H13O10P/c7-1-3(8)4(9)6(12,5(10)11)2-16-17(13,14)15/h3-4,7-9,12H,1-2H2,(H,10,11)(H2,1
2-CARBOXY-D-ARABINITOL-1-PHOSPHATASE
          C(=O)(O)C=CC=C(C(O)=O)C(O)=O
2-CARBOXYMUCONATE    InChI=1/C7H6O6/c8-5(9)3-1-2-4(6(10)11)7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13)
          C(O)(=O)C(=C)CCC(O)=O
2-CH2-GLUTARATE      InChI=1/C6H8O4/c1-4(6(9)10)2-3-5(7)8/h1-3H2,(H,7,8)(H,9,10)
          C(=O)(O)C=C1(OC(=O)C(Cl)=C1)
                     InChI=1/C6H3ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1-2H,(H,8,9)
2-CHLORO-TRANS-DIENELACTONE
          C(Cl)C=O InChI=1/C2H3ClO/c3-1-2-4/h2H,1H2
2-CHLOROACETALDEHYDE
          C(Cl)CO
2-CHLOROETHANOL InChI=1/C2H5ClO/c3-1-2-4/h4H,1-2H2
          C(N)CCl
2-CHLOROETHYLAMINE   InChI=1/C2H6ClN/c3-1-2-4/h1-2,4H2
          C(O)(=O)C(=O)=CC=C(Cl)C(=O)O
2-CHLOROMALEYLACETATEInChI=1/C6H4ClO5/c7-3(5(9)10)1-2-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)
          CC(C)=CCCC(C)=CCCC(C)=CCO
2-CIS6-TRANS-FARNESOLInChI=1/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3
          C1(OC(C=C1)(Cl)CC(=O)O)(=O)
                     InChI=1/C6H5ClO4/c7-6(3-4(8)9)2-1-5(10)11-6/h1-2H,3H2,(H,8,9)
2-CL-5-OXO-2-5-DIH-FURAN-2-ACETATE
          C(O)(=O)C=CC=C(Cl)C(=O)O
2-CL-MUCONATE        InChI=1/C6H5ClO4/c7-4(6(10)11)2-1-3-5(8)9/h1-3H,(H,8,9)(H,10,11)
          C(O)(=O)C=Cc1(c(O)cccc1)
2-COUMARATE          InChI=1/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)
          C(O)(=O)C(O)C(C(C)C)C(=O)O
                     InChI=1/C7H12O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-5,8H,1-2H3,(H,9,10)(H,11,12)
2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE
          CC(O)C(O)C(O)=CC(O)=O
                     InChI=1/C6H10O5/c1-3(7)6(11)4(8)2-5(9)10/h2-3,6-8,11H,1H3,(H,9,10)
2-DEHYDRO-3-DEOXY-D-FUCONATE
          C(O)[CH](O)[CH](O)[CH2]C(=O)C(=O)O
                     InChI=1/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)
2-DEHYDRO-3-DEOXY-D-GALACTONATE
          C(=O)(O)C(=O)[CH2][CH](O)[CH](O)CO
                     InChI=1/C6H10O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,5,7-8,10H,1-2H2,(H,11,12)
2-DEHYDRO-3-DEOXY-D-GLUCONATE
          C(O)(=O)C(=O)C(C)(C)CO
2-DEHYDROPANTOATE InChI=1/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h7H,3H2,1-2H3,(H,9,10)
          C1(C(C)(C)C(=O)C(=O)O1)
                     InChI=1/C6H8O3/c1-6(2)3-9-5(8)4(6)7/h3H2,1-2H3
2-DEHYDROPANTOYL-LACTONE
          C(O)C1(C(O)C(O)CC(O1)O)
2-DEOXY-D-GLUCOSE InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2
          C(OP(O)(O)=O)C1(C(O)C(O)CC(O1)O)
                     InChI=1/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)
2-DEOXY-D-GLUCOSE-6-PHOSPHATE
          C(O)C1(C(O)C(O)CC(O1)O)
2-DEOXYGLUCOSE       InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2
          C(OP(O)(O)O)C(O)C(O)C(O)CC=O
                     InChI=1/C6H15O8P/c7-2-1-4(8)6(10)5(9)3-14-15(11,12)13/h2,4-6,8-13,15H,1,3H2
2-DEOXYGLUCOSE-6-PHOSPHATE
          C(O)[CH]1([CH](O)[CH2][CH](O1)O)
2-DEOXYRIBOSE        InChI=1/C5H10O4/c6-2-4-3(7)1-5(8)9-4/h3-8H,1-2H2
          C(O)C(O)CC(=O)C(=O)O
                     InChI=1/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)
2-DH-3-DO-D-ARABINONATE
          C(O)C(CC)CCCC
2-ETHYLHEXAN-1-OL InChI=1/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3
          CCCCC(CC)COC(=O)c1(c(C(O)=O)cccc1)
                     InChI=1/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11
2-ETHYLHEXYL-PHTHALATE
          C(=O)(O)c1(c(F)cccc1)
2-FLUOROBENZOATE InChI=1/C7H5FO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
                     InChI=1/C5H4O3/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
2-FUROATEC(O)(=O)C1(=CC=CO1)
          C(O)C(CO)OP(O)(=O)O
2-GLYCEROPHOSPHATEInChI=1/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
          C(#N)C(C)(C)O
                     InChI=1/C4H7NO/c1-4(2,6)3-5/h6H,1-2H3
2-HYDROXY-2-METHYLPROPANENITRILE
          C2([CH](c1(c(O)cc(O)cc1))C(=O)c3(c(O2)cc(O)cc3))
                     InChI=1/C15H12O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-6,12,16-18H,7H
2-HYDROXY-23-DIHYDRODAIDZEIN
          C(OP(O)(O)=O)=C(O)C(=O)CCSC
                     InChI=1/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h4,8H,2-3H2,1H3,(H2,9,10,11)
2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP
          C(O)(=O)c1([nH]c(O)[nH]cc1)
                     InChI=1/C5H6N2O3/c8-4(9)3-1-2-6-5(10)7-3/h1-2,6-7,10H,(H,8,9)
2-HYDROXY-4-CARBOXYPYRIMIDINE
          C(=O)(O)c1(c(cccc1)C(=O)C=CC=C(O)C(O)=O)
                     InChI=1/C13H10O6/c14-10(6-3-7-11(15)13(18)19)8-4-1-2-5-9(8)12(16)17/h1-7,15H,(H,16,17)(H,18,19
2-HYDROXY-6-2-CARBOXYPHENYL-6-OXO-24-
          CC14(C(O)CCC(C2(C(CC1)C3(=C(CC2)C=C(O)C(=C3)O)))4)
2-HYDROXY-ESTRADIOL  InChI=1/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12
          C1(C(=O)CCCC1)(O)
                     InChI=1/C6H10O2/c7-5-3-1-2-4-6(5)8/h5,7H,1-4H2
2-HYDROXYCYCLOHEXAN-1-ONE
          C2(=C(c1(c(O)cc(O)cc1))C(=O)c3(c(O2)cc(O)cc3))
2-HYDROXYDAIDZEIN InChI=1/C15H10O5/c16-8-1-3-10(13(18)5-8)12-7-20-14-6-9(17)2-4-11(14)15(12)19/h1-7,16-18H
          C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)[CH]1(O[CH]([CH2][CH]1O)n2(c3(c(nc2)c(N)nc(n3)O)))
                     InChI=1/C10H16N5O13P3/c11-8-7-9(14-10(17)13-8)15(3-12-7)6-1-4(16)5(26-6)2-25-30(21,22)28-31(2
2-HYDROXYDEOXYADENOSINE-5-TRIPHOSPHATE
          C2(=C(c1(c(O)cc(cc1)OC))C(=O)c3(c(O2)cc(O)cc3))
2-HYDROXYFORMONONETINInChI=1/C16H12O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-8,17-18H,1
          C(O)(=O)C(O)CCC(=O)O
                     InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
2-HYDROXYGLUTARIC_ACID
          CC(C(O)C(=O)NCCC(=O)NCCSC(=O)C(O)CCC(O)=O)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(=O)(O)
2-HYDROXYGLUTARYL-COAInChI=1/C26H42N7O20P3S/c1-26(2,20(39)23(40)29-6-5-15(35)28-7-8-57-25(41)13(34)3-4-16(36)37)10
          C2(O)(C(c1(ccc(O)cc1))C(=O)c3(c(O2)cc(O)cc3))
2-HYDROXYISOFLAVANONEInChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-14(18)11-6-5-10(17)7-12(11)20-15(13)19/h1-7,13,15-17,19H
          C(=O)([O-1])C(O)C([O-1])=O
2-HYDROXYMALONATEInChI=1/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)/p-2
          C(=O)(O)C(C(C(O)=O)CO)=CNC(=O)C
                     InChI=1/C8H11NO6/c1-4(11)9-2-5(7(12)13)6(3-10)8(14)15/h2,6,10H,3H2,1H3,(H,9,11)(H,12,13)(H,14,
2-HYDROXYMETHYL-3-ACETAMIDOMETHYLENE
          C(O)C(C(O)=O)C[CH]=O
                     InChI=1/C5H8O4/c6-2-1-4(3-7)5(8)9/h2,4,7H,1,3H2,(H,8,9)
2-HYDROXYMETHYL-4-OXOBUTANOATE
          C(O)(=O)C(O)=CC=CC(=O)O
2-HYDROXYMUCONATE    InChI=1/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3,7H,(H,8,9)(H,10,11)
          CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP
                     InChI=1/C41H74N7O18P3S/c1-25(2)11-8-12-26(3)13-9-14-27(4)15-10-16-28(5)32(50)40(54)70-20-19-
2-HYDROXYPHYTANOYL-COA
          C1(=CC=CC=N1)(O)
2-HYDROXYPYRIDINE InChI=1/C5H5NO/c7-5-3-1-2-4-6-5/h1-4H,(H,6,7)
          C(N)(=O)CC(O)C(O)=O
2-HYDROXYSUCCINAMATE InChI=1/C4H7NO4/c5-3(7)1-2(6)4(8)9/h2,6H,1H2,(H2,5,7)(H,8,9)
          C1(=C(O)C=CC=C1)(I)
2-IODOPHENOL         InChI=1/C6H5IO/c7-5-3-1-2-4-6(5)8/h1-4,8H
          COc1(c(I)cccc1)
                     InChI=1/C7H7IO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
2-IODOPHENOL-METHYL-ETHER
          C(OP(O)(O)=O)[CH](O)[CH](O)[CH2]C(=O)C(=O)O
                     InChI=1/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)
2-KETO-3-DEOXY-6-P-GLUCONATE
          C(=O)(O)C(=O)CC(O)C(O)C(O)=O
                     InChI=1/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)
2-KETO-3-DEOXY-D-GLUCARATE
          CCC(C)C(=O)C(=O)O
                     InChI=1/C6H10O3/c1-3-4(2)5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
2-KETO-3-METHYL-VALERATE
          C(O)(=O)C(=O)CC(O)CN
                     InChI=1/C5H9NO4/c6-2-3(7)1-4(8)5(9)10/h3,7H,1-2,6H2,(H,9,10)
2-KETO-4-HYDROXY-5-AMINO-VALERATE
          C(N)CCC(=O)C(O)=O
                     InChI=1/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)
2-KETO-5-AMINOVALERATE
          CC(=O)NCCCCC(=O)C(=O)O
                      InChI=1/C8H13NO4/c1-6(10)9-5-3-2-4-7(11)8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)
2-KETO-6-ACETAMIDOCAPROATE
          C(N)CCCC(=O)C(O)=O
                      InChI=1/C6H11NO3/c7-4-2-1-3-5(8)6(9)10/h1-4,7H2,(H,9,10)
2-KETO-6-AMINO-CAPROATE
          C(=O)(O)C(=O)CCC(=O)N
2-KETO-GLUTARAMATE    InChI=1/C5H7NO4/c6-4(8)2-1-3(7)5(9)10/h1-2H2,(H2,6,8)(H,9,10)
          CC(C)C(=O)C(=O)O
2-KETO-ISOVALERATE InChI=1/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)
          C1(OC(C(O)C(=O)1)C(O)CO)(=O)
2-KETO-L-GULONOLACTONEInChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2
          C(O)(=O)C(=O)CCC(=O)O
2-KETOGLUTARATE       InChI=1/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)
          C(O)CS
2-MERCAPTOETHANOLInChI=1/C2H6OS/c3-1-2-4/h3-4H,1-2H2
          CC14(C(O)CCC(C2(C(CC1)c3(c(CC2)cc(O)c(c3)OC)))4)
                      InChI=1/C19H26O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,1
2-METHOXY-ESTRADIOL-17B
          C(OC)CO
2-METHOXYETHANOL InChI=1/C3H8O2/c1-5-3-2-4/h4H,2-3H2,1H3
          C(N)COC InChI=1/C3H9NO/c1-5-3-2-4/h2-4H2,1H3
2-METHOXYETHYLAMINE
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
                      InChI=1/C26H44N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54
2-METHYL-3-HYDROXY-BUTYRYL-COA
          CC1(=C(C(=O)C2(=C(C(=O)1)C=CC=C2))CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)
                      InChI=1/C31H46O2/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-27-26(6)30(32)28-18-7
2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE
          CC(=CCCC(C)=CCCC(C)=CCC1(C(O)C(C)=CC(C=1)O))CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
                      InChI=1/C52H82O2/c1-40(2)20-12-21-41(3)22-13-23-42(4)24-14-25-43(5)26-15-27-44(6)28-16-29-45(
2-METHYL-6-SOLANYL-14-BENZOQUINONE
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
                      InChI=1/C26H42N7O18P3S/c1-13(14(2)34)25(39)55-8-7-28-16(35)5-6-29-23(38)20(37)26(3,4)10-48-54
2-METHYL-ACETO-ACETYL-COA
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(
2-METHYL-BUTYRYL-COA  InChI=1/C26H44N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,
          CC(C(O)=O)=CC(O)=O
2-METHYLMALEATE InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)
          CC(C)[CH]=NOC
                      InChI=1/C5H11NO/c1-5(2)4-6-7-3/h4-5H,1-3H3
2-METHYLPROPANAL-O-METHYLOXIME
          C(C(C)C)=NO
2-METHYLPROPANAL-OXIMEInChI=1/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3
          C(O)C(C(O)=O)OC1(C(O)C(O)C(O)C(O1)CO)
                      InChI=1/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)
2-O-ALPHA-MANNOSYL-D-GLYCERATE
          C(=O)(OC(C(O)=O)C(O)C(O)C(O)C(O)=O)C=Cc1(cc(O)c(O)cc1)
2-O-CAFFEOYLGLUCARATE InChI=1/C15H16O11/c16-7-3-1-6(5-8(7)17)2-4-9(18)26-13(15(24)25)11(20)10(19)12(21)14(22)23/h1-5
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1(c(O)c(O)ccc1)
                      InChI=1/C46H70O2/c1-36(2)18-10-19-37(3)20-11-21-38(4)22-12-23-39(5)24-13-25-40(6)26-14-27-41(
2-OCTAPRENYL-6-HYDROXYPHENOL
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1(c(O)c(OC)ccc1)
                      InChI=1/C47H72O2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(
2-OCTAPRENYL-6-METHOXYPHENOL
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1(c(O)cccc1)
2-OCTAPRENYLPHENOLInChI=1/C46H70O/c1-37(2)19-12-20-38(3)21-13-22-39(4)23-14-24-40(5)25-15-26-41(6)27-16-28-42(7
          C([O-1])(=O)CC1(C(=O)[NH]c2(c1cccc2))
                      InChI=1/C10H9NO3/c12-9(13)5-7-6-3-1-2-4-8(6)11-10(7)14/h1-4,7H,5H2,(H,11,14)(H,12,13)/p-1
2-OXINDOLE-3-ACETIC-ACID
          C(=O)(NC(C(=O)O)CC(O)=O)CC1(C(=O)[NH]c2(ccccc12))
                      InChI=1/C14H14N2O6/c17-11(15-10(14(21)22)6-12(18)19)5-8-7-3-1-2-4-9(7)16-13(8)20/h1-4,8,10H,5
2-OXINDOLE-3-ACETYL-ASP
          C(O)C1(OC(C(O)C(O)C1O)OC(=O)CC2(C(=O)[NH]c3(ccccc23)))
                      InChI=1/C16H19NO8/c18-6-10-12(20)13(21)14(22)16(24-10)25-11(19)5-8-7-3-1-2-4-9(7)17-15(8)23/h
2-OXINDOLE-3-ACETYL-HEXOSE
          C(=O)(O)C(=O)CCCSC
                      InChI=1/C6H10O3S/c1-10-4-2-3-5(7)6(8)9/h2-4H2,1H3,(H,8,9)
2-OXO-5-METHYLTHIOPENTANOIC-ACID
          C(=O)(O)C(=O)C=C
2-OXOBUT-3-ENANOATE   InChI=1/C4H4O3/c1-2-3(5)4(6)7/h2H,1H2,(H,6,7)
          C(O)(=O)C(=O)CC
2-OXOBUTANOATE        InChI=1/C4H6O3/c1-2-3(5)4(6)7/h2H2,1H3,(H,6,7)
          CCCCC(=O)C(O)=O
2-OXOHEXANOATE        InChI=1/C6H10O3/c1-2-3-4-5(7)6(8)9/h2-4H2,1H3,(H,8,9)
          CC(=O)CSCCS(=O)([O-1])=O
2-OXOPROPYL-COM InChI=1/C5H10O4S2/c1-5(6)4-10-2-3-11(7,8)9/h2-4H2,1H3,(H,7,8,9)/p-1
          CCCCCCCCCCCCCCCCC(=O)C(O)=O
2-OXOSTEARATE         InChI=1/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h2-16H2,1H3,(H,20,21)
          C(N)(=O)CC(=O)C(O)=O
2-OXOSUCCINAMATE InChI=1/C4H5NO4/c5-3(7)1-2(6)4(8)9/h1H2,(H2,5,7)(H,8,9)
          CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)C(O)=O
2-OXYPHYTANATE        InChI=1/C20H38O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-18H,6-14H2
2-PG                  InChI=1/C3H7O7P/c4-1-2(3(5)6)10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
          C(O)C(C(O)=O)OP(O)(O)=O
          CC(CO)(OP(O)(O)=O)C(O)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1O)n2(c(=O)nc(N)cc2))
                      InChI=1/C14H27N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)1
2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET
          C1(=O)(C(OP(O)(O)=O)=C(O)C(O1)C(O)CO)
2-PHOSPHOASCORBATE    InChI=1/C6H9O9P/c7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h2,4,7-9H,1H2,(H2,11,12,13)
          C(=O)(O)C(S(=O)(O)=O)P(O)(O)=O
                      InChI=1/C2H5O8PS/c3-1(4)2(11(5,6)7)12(8,9)10/h2H,(H,3,4)(H2,5,6,7)(H,8,9,10)
2-PHOSPHONO-3-SULFOPROPRIONATE
          C1(OC(C(CO)C(O)C(O)1)SC(CC=C)=NOS(O)(=O)=O)(O)
                      InChI=1/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-5(4-12)7(13)8(14)9(15)19-10/h2,5,7-10,12
2-PROPENYL-GLUCOSINOLATE
          C1(CCN[NH]=1)
2-PYRAZOLINE          InChI=1/C3H7N2/c1-2-4-5-3-1/h2,4-5H,1,3H2
          C[CH](O)CSCCS(=O)([O-1])=O
2-R-HYDROXYPROPYL-COM InChI=1/C5H12O4S2/c1-5(6)4-10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)/p-1
          C[CH](O)CSCCS(=O)([O-1])=O
2-S-HYDROXYPROPYL-COM InChI=1/C5H12O4S2/c1-5(6)4-10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)/p-1
          C(=O)(O)c1(c(cccc1)C(=O)CCC(O)=O)
2-SUCCINYL-BENZOATEInChI=1/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
          c1(n(c(=S)[nH]c(c1)=O)C2(C(O)C(O)C(O2)CO))
2-THIOURIDINE         InChI=1/C9H12N2O5S/c12-3-4-6(14)7(15)8(16-4)11-2-1-5(13)10-9(11)17/h1-2,4,6-8,12,14-15H,3H2,(H
          CC(C)=CCCC(C)=CCCC(C)=CC=O
                      InChI=1/C15H24O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11-12H,5-6,8,10H2,1-4H3
2-TRANS6-TRANS-FARNESAL
          CC(C)=CCCC(C)=CCCC(C)=CCO
                      InChI=1/C15H26O/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3
2-TRANS6-TRANS-FARNESOL
          CC(=O)CCCCCCCCC
2-UNDECANONE          InChI=1/C11H22O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-10H2,1-2H3
          CC(C(=O)O)NC(=O)N
2-UREIDO-PROPIONATE   InChI=1/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)
          [CH3]C12([CH]([CH2][CH2][CH]([CH]([OH])[CH]=O)1)[CH]3([CH]([CH2][CH2]2)C4(C([CH2][CH2]3)=[CH]C(=O)[CH2][C
                      InChI=1/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h
20-HYDROXY-3-OXOPREGN-4-EN-21-AL
          C(O)CCCCC=CCC=CC=CC=CC(SCC(N)C(O)=O)C(O)CCCC(O)=O
                      InChI=1/C23H37NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-1
20-HYDROXY-LEUKOTRIENE-E4
                      InChI=1/C20H32O5/c21-17-10-6-2-1-3-7-12-18(22)13-8-4-5-9-14-19(23)15-11-16-20(24)25/h3-5,7-9,1
20-OH-LTB4C(O)CCCCC=CCC(O)C=CC=CC=CC(O)CCCC(O)=O
          CC(C)CCC(O)C(C)(O)C1(C2(C)([CH](C[CH]1)[CH]3([CH](CC2)C4(C)(C(=CC3)C[CH](O)CC4))))
                      InChI=1/C27H45O3/c1-17(2)6-11-24(29)27(5,30)23-10-9-21-20-8-7-18-16-19(28)12-14-25(18,3)22(20)
20A-20B-DIHYDROXY-CHOLESTEROL
          CC(C)CCCC(C)(O)C1(C2(C)([CH](C[CH]1)[CH]3([CH](CC2)C4(C)(C(=CC3)C[CH](O)CC4))))
                      InChI=1/C27H45O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-
20A-HYDROXY-CHOLESTEROL
          CC2(C1(CCC(C)(O1)CO)O[CH]3([CH]2C4(C)([CH](C3)[CH]5([CH](CC4)C6(C)(C(=CC5)CC(O)CC6)))))
                      InChI=1/C27H42O4/c1-16-23-22(30-27(16)12-11-24(2,15-28)31-27)14-21-19-6-5-17-13-18(29)7-9-25(
20S22S25S-2225-EPOXYFUROST
          CC3([CH]1(C4(C)([CH](C[CH]1OC2(OC(C)(CC2)CO)3)[CH]5([CH](CC4)C6(C)(C(=CC5)CC(CC6)OC7(C(O)C(O)C(O)C(O7)C
                      InChI=1/C33H52O9/c1-17-25-23(41-33(17)12-11-30(2,16-35)42-33)14-22-20-6-5-18-13-19(7-9-31(18,3
20S22S25S-2225-EPOXYFUROST-ETC-GLUCOSIDE
          c1(nc(ccc1)c2(ncccc2))
22-BIPYRIDYL          InChI=1/C10H8N2/c1-3-7-11-9(5-1)10-6-2-4-8-12-10/h1-8H
          c1(cc(cc(O)c1O)C2(C(O)C(=O)c3(c(O2)c(O)c(O)cc3O)))
23-DIHYDROGOSSYPETIN  InChI=1/C15H12O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-4,13-
          C(O)C(C(O)=O)NC(=O)c1(c(O)c(O)ccc1)
                      InChI=1/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,1
23-DIHYDROXYBENZOYLSERINE-MULTIMERS
          C(OP(O)(O)=O)C(C(O)=O)OP(O)(O)=O
23-DIPHOSPHOGLYCERATE InChI=1/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)
          CC(CCCC(C)CCCC(C)CCCC(C)C)=CCC12(C(=O)c3(c(C(=O)C(C)(O1)2)cccc3))
                      InChI=1/C31H46O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31-29(33)27-19-8-7-18
23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ
          c1(c(O)c(c(O)cc(O)1)C(=O)c2(cc(O)ccc2))
                      InChI=1/C13H10O5/c14-8-3-1-2-7(4-8)13(18)12-10(16)5-9(15)6-11(12)17/h1-6,14-17H
2346-TETRAHYDROXYBENZOPHENONE
          C1(Cl)(C(Cl)=C(O)C(Cl)=CC=1O)
                      InChI=1/C6H3Cl3O2/c7-2-1-3(10)4(8)5(9)6(2)11/h1,10-11H
236-TRICHLOROHYDROQUINONE
          C(=O)(O)CC1(Cl)(OC(=O)C(=C1)Cl)
                      InChI=1/C6H4Cl2O4/c7-3-1-6(8,2-4(9)10)12-5(3)11/h1H,2H2,(H,9,10)
24-DICHLORO-25-DIHYDRO-5-OXOFURAN-2-AC
          C(O)(=O)C(Cl)=CC(Cl)=CC(O)=O
                      InChI=1/C6H4Cl2O4/c7-3(2-5(9)10)1-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)
24-DICHLORO-CISCIS-MUCONATE
          [CH3]C([CH3])([CH]([OH])C(=O)[NH][CH2][CH2]C(=O)[NH][CH2][CH2]SC(=O)c1(c(Cl)[cH]c(Cl)[cH][cH]1))[CH2]OP([O
24-DICHLOROBENZOYL-COAInChI=1/C28H38Cl2N7O17P3S/c1-28(2,22(40)25(41)33-6-5-18(38)32-7-8-58-27(42)15-4-3-14(29)9-16(
          C1(=C(O)C=CC(=C1)Cl)(Cl)
24-DICHLOROPHENOL InChI=1/C6H4Cl2O/c7-4-1-2-6(9)5(8)3-4/h1-3,9H
          C1(=C2(C(=NC(=N1)O)N=CC=N2))(O)
24-DIHYDROXYPTERIDINE InChI=1/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
          C1(=O)(N(O)c2(c(OC1O)cc(OC)cc2))
24-ETC-14-BENZOXAZIN  InChI=1/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
          C(O)C1(OC(C(O)C(O)C1O)OC2(C(=O)N(O)c3(c(O2)cc(OC)cc3)))
                      InChI=1/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-1
24-ETC-14-BENZOXAZIN-GLUCOSIDE
                      InChI=1/C6H5Cl3O/c7-3-1-5(9)6(10)2-4(3)8/h1-3,6,10H
245-DNOL C1(C(O)C(Cl)=CC(Cl)C=1Cl)
          c1(c(N(=O)=O)cc(N(=O)=O)cc1N(=O)=O)
246-TRINITROBENZENEInChI=1/C6H3N3O6/c10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-3H
          CC(N)CC(N)C(=O)O
24DINH2-PENTANOATEInChI=1/C5H12N2O2/c1-3(6)2-4(7)5(8)9/h3-4H,2,6-7H2,1H3,(H,8,9)
          C=C(C)C(C)CC[CH](C)C1(C2(C)(C(C)(CC1)C4(C3(CC2)(C5(C3)([CH](CC4)C(C)(C)C(O)CC5)))))
                      InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-3
24R-24-METHYLCYCLOARTA-825-DIEN-3-BET
                      InChI=1/C6H6Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,5-6,9-10H
25-DDOL C1(C(O)C(Cl)=CC(O)C=1Cl)
          C(O)(=O)C(N)CCCN
25-DIAMINOPENTANOATE  InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
          C(O)(=O)C(Cl)=CC=C(Cl)C(=O)O
                      InChI=1/C6H4Cl2O4/c7-3(5(9)10)1-2-4(8)6(11)12/h1-2H,(H,9,10)(H,11,12)
25-DICHLORO-CISCIS-MUCONATE
          C1(=C(O)C=C(Cl)C(=C1)O)(Cl)
                      InChI=1/C6H4Cl2O2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,9-10H
25-DICHLOROHYDROQUINONE
          C1(=C(Cl)C=CC(=C1)Cl)(O)
25-DICHLOROPHENOL InChI=1/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
          C(O)(=O)C(=O)C(O)C(O)C(=O)CO
                      InChI=1/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-4,7,9-10H,1H2,(H,12,13)
25-DIDEHYDRO-D-GLUCONATE
          c1(O)(nc2(c(cc1)C(O)C(O)C=C2))
                      InChI=1/C9H9NO3/c11-7-3-2-6-5(9(7)13)1-4-8(12)10-6/h1-4,7,9,11,13H,(H,10,12)
256-TRIHYDROXY-56-DIHYDROQUINOLINE
          [CH]1(O[CH]([CH2][OH])[CH]([OH])[CH]([OH])[CH]([OH])1)O[CH]2([CH2][CH]3(C([CH2][CH2]2)([CH3])[CH]7([CH]([C
                      InChI=1/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)2
25S-5-BETA-SPIROSTAN-3-BETA-OL-3-O-BET
          C1(C(Cl)=C(O)C(Cl)=CC(O)=1)
                      InChI=1/C6H4Cl2O2/c7-4-1-3(9)2-5(8)6(4)10/h1-2,9-10H
26-DICHLORO-P-HYDROQUINONE
          C(=O)(O)C(=O)CCCC(=O)c1(ccccc1)
                      InChI=1/C12H12O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-3,5-6H,4,7-8H2,(H,15,16)
26-DIOXO-6-PHENYLHEXANOATE
          CC(CO)CCCC(C)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2)C4(C)(C(=CC3)CC(O)CC4))))
27-HYDROXYCHOLESTEROL InChI=1/C27H46O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13
          CC1(CO)(C(O)COP(=O)(O)OP(O)(O1)=O)
                      InChI=1/C5H12O9P2/c1-5(3-6)4(7)2-12-15(8,9)14-16(10,11)13-5/h4,6-7H,2-3H2,1H3,(H,8,9)(H,10,11)
2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE
          C(O)(=O)C(C)C(=C)C(=O)O
2CH2-3CH3-SUCC        InChI=1/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h4H,1H2,2H3,(H,7,8)(H,9,10)
          C(=O)C1(C(=O)c2(c(C1)cccc2))
2F1INDANONE           InChI=1/C10H8O2/c11-6-8-5-7-3-1-2-4-9(7)10(8)12/h1-4,6,8H,5H2
          C(O)(=O)C(O)=CC=CC(=O)C
2H6OH2-4DIENOATE InChI=1/C7H8O4/c1-5(8)3-2-4-6(9)7(10)11/h2-4,9H,1H3,(H,10,11)
2INDANONE             InChI=1/C9H8O/c10-9-5-7-3-1-2-4-8(7)6-9/h1-4H,5-6H2
          c1(ccc2(c(c1)CC(=O)C2))
          CC(C)CC(=O)C(=O)O
2K-4CH3-PENTANOATEInChI=1/C6H10O3/c1-4(2)3-5(7)6(8)9/h4H,3H2,1-2H3,(H,8,9)
                      InChI=1/C6H8O5/c7-4(6(10)11)2-1-3-5(8)9/h1-3H2,(H,8,9)(H,10,11)
2K-ADIPATEC(=O)(O)C(=O)CCCC(O)=O
          C(O)(=O)C(O)=CC=C1(C(=O)Cc2(ccccc12))
2OXO1YLIDENE          InChI=1/C13H10O4/c14-11(13(16)17)6-5-10-9-4-2-1-3-8(9)7-12(10)15/h1-6,14H,7H2,(H,16,17)
          C(S(=O)(O)=O)[CH](C(O)=O)OP(O)(O)=O
                      InChI=1/C3H7O9PS/c4-3(5)2(1-14(9,10)11)12-13(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H,9,10,11)
2R-O-PHOSPHO-3-SULFOLACTATE
          C1(C=C(C(O)C(C=1)O)c2(ccccc2))
                      InChI=1/C12H12O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,11-14H
2R3S-3-PHENYLCYCLOHEXA-35-DIENE-12-
          C(=O)(O)c1(ccc(O)c(O)c1)
3,4-DIHYDROXYBENZOATEInChI=1/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11)
          C(=O)(O)c1(c(cccc1)c2(c(O)c(O)ccc2))
                     InChI=1/C13H10O4/c14-11-7-3-6-9(12(11)15)8-4-1-2-5-10(8)13(16)17/h1-7,14-15H,(H,16,17)
3-2-CARBOXYPHENYLCATECHOL
          C(SC)CC(C(O)=O)C(O)C(=O)O
                     InChI=1/C7H12O5S/c1-13-3-2-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)
3-2-METHYLTHIOETHYLMALIC-ACID
          C([OH])(=O)[CH]([OH])[CH2]c1([cH]c([OH])c([OH])[cH][cH]1)
                     InChI=1/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)
3-34-DIHYDROXYPHENYLLACTATE
          C(=O)(O)C(O)Cc1(ccc(O)cc1)
                     InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
3-4-HYDROXYPHENYLLACTATE
          C(=O)(O)C(=O)Cc1(ccc(O)cc1)
                     InChI=1/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
3-4-HYDROXYPHENYLPYRUVATE
          c1(ccc2(C(=O)C3(=C(c(c1)2)C(O)C(O)C=C3)))
3-4DH3-4DH9FLUORENONEInChI=1/C13H10O3/c14-10-6-5-9-11(13(10)16)7-3-1-2-4-8(7)12(9)15/h1-6,10,13-14,16H
          c1(ccc2(c(c1)C3(=C(C2)C=CC(O)C(O)3)))
3-4DH3-4DHFLUORENEInChI=1/C13H12O2/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15/h1-6,11,13-15H,7H2
          c1(ccc2(c(c1)c3(c(O)c(O)ccc(C2)3)))
3-4DHFLUORENE        InChI=1/C13H10O2/c14-11-6-5-9-7-8-3-1-2-4-10(8)12(9)13(11)15/h1-6,14-15H,7H2
                     InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(
3-5-ADP c1(c2(c(ncn1)n(cn2)C3(OC(COP(=O)(O)O)C(C(O)3)OP(O)(=O)O)))(N)
          c2([nH]c(=O)n(C)c1(ncn(C)c12))(=O)
3-7-DIMETHYLXANTHINE InChI=1/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)
          CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(
3-ACETOACETYL-COA InChI=1/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44
          CCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)OC1(C(C(O)OC(CO)C1OP(O)(O)=O)NC(=O)CC(CCCCCCCCCCC)OC(=
                     InChI=1/C60H114NO14P/c1-5-9-13-17-21-25-26-30-34-38-42-46-55(65)72-51(44-40-36-32-28-23-19-1
3-ACYLOXYACYL-GROUP-OF-BACTERIAL-TOXIN
          C(C(C(O)=O)OP(O)(O)=O)OP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3)))
                     InChI=1/C13H20N5O16P3/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(20)8(19)5(32-12)1-30-36(26,27)34
3-ADP-2-PHOSPHOGLYCERATE
          C(C(O)C(O)=O)OP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3)))
3-ADPGLYCERATE       InChI=1/C13H19N5O13P2/c14-10-7-11(16-3-15-10)18(4-17-7)12-9(21)8(20)6(30-12)2-29-33(26,27)31
          CC13(C(CC(O)CC1)CCC4(C2(C(C(=O)CC2)(C)CCC34)))
                     InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20
3-ALPHA-HYDROXY-5-BETA-ANDROSTAN-17-ONE
          CC12(C3(C(CCC(CC(O)CC1)2)C4(C(C)(CC3)C(CC4)C(C)CCC(=O)O)))
                     InChI=1/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(
3-ALPHA-HYDROXY-5-BETA-CHOLANATE
          [CH3]C13([CH](C2([CH]([CH2][CH2]1)C([CH3])([CH3])[CH]([OH])[CH2][CH2]2)([CH3]))C(=O)[CH]=C4(C3([CH3])[CH2]
                     InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34
3-ALPHA-HYDROXYGLYCYRRHETINATE
          CC([CH]=O)CCC[CH](C)C1(C2(C)(C(CC1)C3(C(CC2O)C4(C)([CH](CC3O)CC(O)CC4))))
                     InChI=1/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)1
3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX
          CC(=O)NCCCC(N)CC(O)=O
                     InChI=1/C8H16N2O3/c1-6(11)10-4-2-3-7(9)5-8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)
3-AMINO-6-ACETAMIDOHEXANOATE
          C(O)(=O)C(C)CN
3-AMINO-ISOBUTYRATE  InChI=1/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
          C(N)C[CH]=O
3-AMINO-PROPANAL InChI=1/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2
          C(O)C(O)COC1(C(O)C(O)C(O)C(O1)CO)
                     InChI=1/C9H18O8/c10-1-4(12)3-16-9-8(15)7(14)6(13)5(2-11)17-9/h4-15H,1-3H2
3-B-D-GALACTOSYL-SN-GLYCEROL
          C(=NOS(O)(=O)=O)(SC1(C(CO)C(O)C(O)C(O1)O))CCCOC(=O)c2(ccccc2)
                     InChI=1/C17H23NO11S2/c19-9-11-13(20)14(21)16(23)28-17(11)30-12(18-29-31(24,25)26)7-4-8-27-15
3-BENZOYLOXYPROPYL-GLUCOSINOLATE
          [CH]1(O[CH]([CH2][OH])[CH]([OH])[CH]([OH])[CH]([OH])1)O[CH]2([CH]([OH])[CH]([OH])O[CH]([CH2][OH])[CH]([OH
                     InChI=1/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2
3-BETA-D-GLUCOSYLGLUCOSE
          CC(=O)[CH]1(C2([CH](CC1)[CH]3([CH](CC2)C4([CH](CC3)C[CH](O)CC4)(C)))(C))
                     InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14
3-BETA-HYDROXY-5-ALPHA-PREGNANE-20-ONE
          CC13(C(CC(O)CC1)=CCC4(C2(C(C(=O)CC2)(C)CCC34)))
                     InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,2
3-BETA-HYDROXYANDROST-5-EN-17-ONE
          C(Br)C(=O)C(O)=O
3-BROMOPYRUVATE InChI=1/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
          C(=O)(O)CC(O)(C(=O)O)C(C)C
                     InChI=1/C7H12O5/c1-4(2)7(12,6(10)11)3-5(8)9/h4,12H,3H2,1-2H3,(H,8,9)(H,10,11)
3-CARBOXY-3-HYDROXY-ISOCAPROATE
          c1(n(C)c(=O)c(C(O)=O)c(c1)OC)
                     InChI=1/C8H9NO4/c1-9-4-3-5(13-2)6(7(9)10)8(11)12/h3-4H,1-2H3,(H,11,12)
3-CARBOXY-4-METHOXY-N-METHYL-2-PYRIDONE
          C(=O)(O)C(N)CCl
3-CHLORO-D-ALANINE InChI=1/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)
          C(#N)C1(=CC=CN=C1)
3-CYANOPYRIDINE      InChI=1/C6H4N2/c7-4-6-2-1-3-8-5-6/h1-3,5H
          C([N+1](C)(C)C)C(=O)CC([O-1])=O
3-DE-H-CARNITINE     InChI=1/C7H13NO3/c1-8(2,3)5-6(9)4-7(10)11/h4-5H2,1-3H3
          c1(nc(N)c2(c(c1)ncn2))
3-DEAZAADENINE       InChI=1/C6H6N4/c7-6-5-4(1-2-8-6)9-3-10-5/h1-3H,(H2,7,8)(H,9,10)
          C1(C(O)C(=O)C(O)C(O1)CO)(O)
                     InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2
3-DEHYDRO-ALPHA-GLUCOSE
          C(=O)(O)C1(=[CH]C(=O)[CH](O)[CH]([CH2]1)O)
3-DEHYDRO-SHIKIMATE  InChI=1/C7H8O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,5-6,9-10H,2H2,(H,11,12)
          CC16(O[CH](CC(C(O)1)NC)n2(c5(c(c3(c2cccc3))c4(c(CNC4=O)c7(c5n6c8(c7cccc8))))))
                     InChI=1/C27H24N4O3/c1-27-25(32)16(28-2)11-19(34-27)30-17-9-5-3-7-13(17)21-22-15(12-29-26(22)3
3-DEMETHYLSTAUROSPORINE
          C(=O)(O)C(=O)CC(O)C(O)C(O)COP(O)(=O)O
                     InChI=1/C7H13O10P/c8-3(1-4(9)7(12)13)6(11)5(10)2-17-18(14,15)16/h3,5-6,8,10-11H,1-2H2,(H,12,13
3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P
          C(O)C(O)C(O)C(O)C(O)CC(=O)C(O)=O
                     InChI=1/C8H14O8/c9-2-5(12)7(14)6(13)3(10)1-4(11)8(15)16/h3,5-7,9-10,12-14H,1-2H2,(H,15,16)
3-DEOXYOCTULOSONIC-ACID
          CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(=O)([O-1])OP(=O)([O-1])OCC1(OC(C(O)C1O)N2(c3(c(N=C2)c(N)ncn3)))
3-DEPHOSPHO-COA InChI=1/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)3
          C(=O)(O)C(=C)OC1(C(O)C(OP(O)(O)O)C=C(C1)C(O)=O)
                     InChI=1/C10H15O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11,16-18,21
3-ENOLPYRUVYL-SHIKIMATE-3P
          C(=O)(O)C1([CH2][CH](OC(=C)C(=O)O)[CH](O)[CH]([CH]=1)OP(O)(O)=O)
                     InChI=1/C10H13O10P/c1-4(9(12)13)19-6-2-5(10(14)15)3-7(8(6)11)20-21(16,17)18/h3,6-8,11H,1-2H2,(
3-ENOLPYRUVYL-SHIKIMATE-5P
          CCc1(c(O)c(O)ccc1)
3-ETHYLCATECHOL      InChI=1/C8H10O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,9-10H,2H2,1H3
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1(c(O)c(OC)cc(c1)C(O)=O)
                     InChI=1/C38H56O4/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7
3-HEXAPRENYL-4-HYDROXY-5-METHOXYBENZOATE
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1(c(O)c(O)cc(c1)C(O)=O)
                     InChI=1/C37H54O4/c1-27(2)13-8-14-28(3)15-9-16-29(4)17-10-18-30(5)19-11-20-31(6)21-12-22-32(7)2
3-HEXAPRENYL-45-DIHYDROXYBENZOATE
          C(=O)(O)C(=O)CP(O)=O
                     InChI=1/C3H5O5P/c4-2(3(5)6)1-9(7)8/h9H,1H2,(H,5,6)(H,7,8)
3-HYDROHYDROXYPHOSPHORYLPYRUVATE
          c1(c(O)c(=O)c2(c(n1)cccc2))
                     InChI=1/C9H7NO2/c11-8-5-10-7-4-2-1-3-6(7)9(8)12/h1-5,11H,(H,10,12)
3-HYDROXY-1H-QUINOLIN-4-ONE
          Cc1(c(O)c(=O)c2(c(n1)cccc2))
                     InChI=1/C10H9NO2/c1-6-9(12)10(13)7-4-2-3-5-8(7)11-6/h2-5,12H,1H3,(H,11,13)
3-HYDROXY-2-METHYL-1H-QUINOLIN-4-ONE
          CC(CCCC(C)CCCC(C)CCCC(C)C)=CCC1(O)(C(C)C(=O)c2(c(C1=O)cccc2))
                     InChI=1/C31H48O3/c1-22(2)12-9-13-23(3)14-10-15-24(4)16-11-17-25(5)20-21-31(34)26(6)29(32)27-1
3-HYDROXY-2-METHYL-3-PHYTYL-23-DIHYDRONA
          C(O)(=O)C(CC(O)=O)NC(=O)Cc1(O)(c(=O)[nH]c2(ccccc12))
                     InChI=1/C14H14N2O7/c17-10(15-9(12(20)21)5-11(18)19)6-14(23)7-3-1-2-4-8(7)16-13(14)22/h1-4,9,16
3-HYDROXY-2-OXINDOLE-3-ACETYL-ASP
          CC(C)=CCCC(O)(CC=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n
                     InChI=1/C32H52N7O19P3S/c1-19(2)6-5-8-32(46,9-12-40)14-22(42)62-13-11-34-21(41)7-10-35-29(45)2
3-HYDROXY-3-4-METHYLPENT-3-EN-1-YLG-COA
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(
                     InChI=1/C27H44N7O20P3S/c1-26(2,21(40)24(41)30-5-4-15(35)29-6-7-58-17(38)9-27(3,42)8-16(36)37)
3-HYDROXY-3-METHYL-GLUTARYL-COA
          c1(ncc(O)c(c1)=O)
                     InChI=1/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-3,8H,(H,6,7)
3-HYDROXY-4H-PYRID-4-ONE
          CC(=CC=C(O)C(O)=O)C(=O)CCC2([CH]1(C(C)(C(=O)CC1)CCC2=O))
                     InChI=1/C19H24O6/c1-11(3-6-16(22)18(24)25)14(20)7-4-12-13-5-8-17(23)19(13,2)10-9-15(12)21/h3,6
3-HYDROXY-5917-TRIOXO-45910-DISECOA
          C(O)(=O)c1(c(N)c(O)ccc1)
                     InChI=1/C7H7NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,9H,8H2,(H,10,11)
3-HYDROXY-ANTHRANILATE
          C(=O)(O)C=CC(O)=CC(O)=O
                     InChI=1/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3,7H,(H,8,9)(H,10,11)
3-HYDROXY-CISCIS-MUCONATE
          C(O)c1(c(C(=O)O)cnc(C)c(O)1)
                     InChI=1/C8H9NO4/c1-4-7(11)6(3-10)5(2-9-4)8(12)13/h2,10-11H,3H2,1H3,(H,12,13)
3-HYDROXY-ETCETERA-CARBOXYLATE
          C(O)(=O)C(C)CO
3-HYDROXY-ISOBUTYRATEInChI=1/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
                     InChI=1/C25H42N7O18P3S/c1-13(8-33)24(38)54-7-6-27-15(34)4-5-28-22(37)19(36)25(2,3)10-47-53(44
3-HYDROXY-ISOBUTYRYL-COA
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
                     InChI=1/C26H44N7O18P3S/c1-25(2,20(37)23(38)29-6-5-15(34)28-7-8-55-16(35)9-26(3,4)39)11-48-54(
3-HYDROXY-ISOVALERYL-COA
          C(=O)(O)C(N)CC(=O)c1(c(N)c(O)ccc1)
                     InChI=1/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
3-HYDROXY-L-KYNURENINE
          C1(N[CH](C(C1)O)C(O)=O)
3-HYDROXY-L-PROLINE InChI=1/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)
          C2(N(C)[CH](Cc1(ccc(O)c(O)c1))c3(c(C2)cc(OC)c(O)c3))
                     InChI=1/C18H21NO4/c1-19-6-5-12-9-18(23-2)17(22)10-13(12)14(19)7-11-3-4-15(20)16(21)8-11/h3-4,
3-HYDROXY-N-METHYL-S-COCLAURINE
          C([OH])(=O)[CH]([NH2])[CH]([OH])[CH2][CH2][CH2][N+1]([CH3])([CH3])[CH3]
                     InChI=1/C9H20N2O3/c1-11(2,3)6-4-5-7(12)8(10)9(13)14/h7-8,12H,4-6,10H2,1-3H3/p+1
3-HYDROXY-N6N6N6-TRIMETHYL-L-LYSINE
          C(O)(=O)CCO
3-HYDROXY-PROPIONATE InChI=1/C3H6O3/c4-2-1-3(5)6/h4H,1-2H2,(H,5,6)
          c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC
                     InChI=1/C24H40N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44
3-HYDROXY-PROPIONYL-COA
          CCCCCCCCCCCC(O)CC(=O)NC1(C(C(OP(O)(O)=O)C(CO)OC1O)OC(=O)CC(O)CCCCCCCCCCC)
                     InChI=1/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(47-48(42,43)44)2
3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN
          [CH]1(O[CH]([CH]([CH](O)1)OP(=O)(O)O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCC(
3-HYDROXYADIPYL-COA  InChI=1/C27H44N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)
          c1(cc(NO)cc(c1)O)
3-HYDROXYAMINOPHENOL InChI=1/C6H7NO2/c8-6-3-1-2-5(4-6)7-9/h1-4,7-9H
          C(O)(=O)c1(cccc(O)c1)
3-HYDROXYBENZOATE InChI=1/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)
          C1(CC(O)CC(C1)=O)
                     InChI=1/C6H10O2/c7-5-2-1-3-6(8)4-5/h5,7H,1-4H2
3-HYDROXYCYCLOHEXANONE
          C(=O)(O)CCc1(cccc(c1)O)
                     InChI=1/C9H10O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-3,6,10H,4-5H2,(H,11,12)
3-HYDROXYPHENYL-PROPIONATE
          C(=O)(C)OC1(=CC(O)=CC=C1)
                     InChI=1/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3
3-HYDROXYPHENYLACETATE
          CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)CCCC(=O)O)COP(O)(=O)OP(O)(=O)OCC1(OC(C(O)C1OP(O)(=O)O)n2(c3(c
3-HYDROXYPIMELYL-COA InChI=1/C28H46N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)
          C(O)CCC(=NOS(O)(=O)=O)SC1(C(CO)C(O)C(O)C(O1)O)
                     InChI=1/C10H19NO10S2/c12-3-1-2-6(11-21-23(17,18)19)22-10-5(4-13)7(14)8(15)9(16)20-10/h5,7-10,
3-HYDROXYPROPYL-GLUCOSINOLATE
          C=CC1(O)([CH]2(C[CH](N(C1)CC2)C(O)c3(c4(c(ncc3)ccc(c4)OC))))
3-HYDROXYQUININE InChI=1/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(1
          C(=O)C(=O)c1(c2(c([nH]c1)cccc2))
3-INDOLEGLYOXAL      InChI=1/C10H7NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-6,11H
          C(=O)C(O)c1(c2(c([nH]c1)cccc2))
                     InChI=1/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-6,10-11,13H
3-INDOLYLGLYCOLALDEHYDE
                     InChI=1/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)
3-K-THR CC(=O)C(N)C(O)=O
          C(O)(=O)CCC(=O)CC(O)=O
3-KETO-ADIPATE       InChI=1/C6H8O5/c7-4(3-6(10)11)1-2-5(8)9/h1-3H2,(H,8,9)(H,10,11)
          CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCC(=O)O)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(=
3-KETO-ADIPYL-COA InChI=1/C27H42N7O20P3S/c1-27(2,22(41)25(42)30-6-5-16(36)29-7-8-58-18(39)9-14(35)3-4-17(37)38)
          C(O)C(O)C(O)C(=O)C(O)C(=O)O
3-KETO-L-GULONATE InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13)
          C(O)(=O)CC(=O)C
3-KETOBUTYRATE       InChI=1/C4H6O3/c1-3(5)2-4(6)7/h2H2,1H3,(H,6,7)
          C(O)C1(OC(C(O)C(=O)C1O)OC2(C(CO)OC(O)C(O)C2O))
3-KETOLACTOSE        InChI=1/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-5,7-15,
          C(O)C(=O)C(O)C(=O)O
3-KETOTHREONATE InChI=1/C4H6O5/c5-1-2(6)3(7)4(8)9/h3,5,7H,1H2,(H,8,9)
          C(S)C(C([O-1])=O)CS
                     InChI=1/C4H8O2S2/c5-4(6)3(1-7)2-8/h3,7-8H,1-2H2,(H,5,6)/p-1
3-MERCAPTO-2-MERCAPTOMETHYLPROPANOATE
          C(=O)(O)C(=O)CS
3-MERCAPTO-PYRUVATE  InChI=1/C3H4O3S/c4-2(1-7)3(5)6/h7H,1H2,(H,5,6)
          CC(C)CC(=O)c1(c(O)cc(O)cc(O)1)
                     InChI=1/C11H14O4/c1-6(2)3-8(13)11-9(14)4-7(12)5-10(11)15/h4-6,12,14-15H,3H2,1-2H3
3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
3-METHYL-CROTONYL-COAInChI=1/C26H42N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,
          C(C1(OC(C(O)C1OP(=O)(O)O)n2(c3(c(nc2)c(N)ncn3))))OP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O
3-METHYLBENZOYL-COA  InChI=1/C29H42N7O17P3S/c1-16-5-4-6-17(11-16)28(41)57-10-9-31-19(37)7-8-32-26(40)23(39)29(2,3)
          C(=O)(O)CC(C(O)=O)Cc1(cccc(C)c1)
                     InChI=1/C12H14O4/c1-8-3-2-4-9(5-8)6-10(12(15)16)7-11(13)14/h2-5,10H,6-7H2,1H3,(H,13,14)(H,15,1
3-METHYLBENZYLSUCCINATE
          C(NCCC(=O)NCCSC(=O)C(CC(O)=O)Cc1(cc(C)ccc1))(=O)C(O)C(C)(C)COP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C2OP(=O)(O
                     InChI=1/C33H48N7O19P3S/c1-18-5-4-6-19(11-18)12-20(13-23(42)43)32(47)63-10-9-35-22(41)7-8-36-
3-METHYLBENZYLSUCCINYL-COA
          CC(C)CCO
3-METHYLBUTANOL InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
          [CH2]=C1(C(=O)[NH]c2(c1[cH][cH][cH][cH]2))
3-METHYLENEOXINDOLE  InChI=1/C9H7NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-5H,1H2,(H,10,11)
           [CH3][CH]1(C(=O)[NH]c2(c1[cH][cH][cH][cH]2))
3-METHYLOXINDOLE InChI=1/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)
           C(NCCSC(=O)C(CC(=O)O)=Cc1(cccc(C)c1))(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC2(OC(C(O)C2OP(=O)(
                      InChI=1/C33H46N7O19P3S/c1-18-5-4-6-19(11-18)12-20(13-23(42)43)32(47)63-10-9-35-22(41)7-8-36-
3-METHYLPHENYLITACONYL-COA
           C1(OC(C(CO)C(O)C(O)1)SC(=NOS(O)(=O)=O)CCCS(=O)C)(O)
                      InChI=1/C11H21NO10S3/c1-24(17)4-2-3-7(12-22-25(18,19)20)23-11-6(5-13)8(14)9(15)10(16)21-11/h6
3-METHYLSULFINYLPROPYL-GLUCOSINOLATE
           C(SC)CCC=NOInChI=1/C5H11NOS/c1-8-5-3-2-4-6-7/h4,7H,2-3,5H2,1H3
3-METHYLTHIOPROPANALDOXIME
           C1(OC(C(CO)C(O)C(O)1)SC(=NO)CCCSC)(O)
                      InChI=1/C11H21NO6S2/c1-19-4-2-3-7(12-17)20-11-6(5-13)8(14)9(15)10(16)18-11/h6,8-11,13-17H,2-5
3-METHYLTHIOPROPYL-DESULFO-GLUCOSINOLATE
           C1(SC(=NOS(O)(=O)=O)CCCSC)(C(CO)C(O)C(O)C(O1)O)
                      InChI=1/C11H21NO9S3/c1-22-4-2-3-7(12-21-24(17,18)19)23-11-6(5-13)8(14)9(15)10(16)20-11/h6,8-1
3-METHYLTHIOPROPYL-GLUCOSINOLATE
           C(SC)CCC(S)=NO
                      InChI=1/C5H11NOS2/c1-9-4-2-3-5(8)6-7/h7H,2-4H2,1H3,(H,6,8)
3-METHYLTHIOPROPYLHYDROXAMIC-ACID
           c2([nH]c(=O)n(C)c1(ncnc12))(=O)
3-METHYLXANTHINE InChI=1/C6H5N4O2/c1-10-4-3(7-2-8-4)5(11)9-6(10)12/h2H,1H3,(H,9,11,12)
           C(N(=O)=O)=CC(O)=O
3-NITROACRYLATE       InChI=1/C3H3NO4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)
           C([N+1](=O)[O-1])CC(=O)O
3-NITROPROPANOATE InChI=1/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
           C(O)(=O)C(CC(O)=O)NC(=O)Cc2(c(=O)[nH]c1(ccccc12))(OC3(OC(CO)C(O)C(O)C(O)3))
                      InChI=1/C20H24N2O12/c23-7-11-14(27)15(28)16(29)18(33-11)34-20(8-3-1-2-4-9(8)22-19(20)32)6-12(
3-O-BETA-GLUCOSYL-2-OXINDOLE-3-ACETYL-
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1(c(O)ccc(c1)C(O)=O)
                      InChI=1/C47H70O3/c1-36(2)17-10-18-37(3)19-11-20-38(4)21-12-22-39(5)23-13-24-40(6)25-14-26-41(
3-OCTAPRENYL-4-HYDROXYBENZOATE
           C(=O)c1(cc(O)ccc1)
3-OH-BENZALDEHYDE InChI=1/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
           C(O)c1(cc(O)ccc1)
3-OH-BENZYL-ALCOHOL   InChI=1/C7H8O2/c8-5-6-2-1-3-7(9)4-6/h1-4,8-9H,5H2
           [CH3]C13(C(=[CH]C(=O)[CH2][CH2]1)[CH2][CH2][CH]2([CH]4(C([CH3])([CH2][CH2][CH]23)OC(=O)[CH2][CH2]4)))
                      InChI=1/C19H26O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h11,14
3-OXO-1317-SECOANDROST-4-ENO-1713-ALPH
           C[CH](CCC(O)=O)C1(C2(C)([CH](CC1)[CH]3([CH](CC2)C4(C)([CH](CC3)CC(=O)CC4))))
3-OXO-5-BETA-CHOLANATEInChI=1/C24H38O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(
           CC(=O)NCCCC(=O)CC(O)=O
                      InChI=1/C8H13NO4/c1-6(10)9-4-2-3-7(11)5-8(12)13/h2-5H2,1H3,(H,9,10)(H,12,13)
3-OXO-6-ACETAMIDOHEXANOATE
           c1(N)(c2(c(ncn1)n(cn2)C3(OC(C(C3O)OP(=O)(O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C
3-OXO-CHOLYL-COA InChI=1/C45H72N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)1
           c1(N)(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(O)=O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O
                      InChI=1/C45H70N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)1
3-OXO-DELTA4-CHOLYL-COA
           CC(COP(O)(=O)OP(=O)(O)OCC1(OC(C(O)C1OP(=O)(O)O)n2(c3(c(nc2)c(N)ncn3))))(C)C(O)C(=O)NCCC(=O)NCCSC(=O)
                      InChI=1/C45H70N7O19P3S/c1-24(28-9-10-29-27-8-7-25-18-26(53)12-14-44(25,4)30(27)19-32(54)45(2
3-OXO-DELTA4-DEOXYCHOLYL-COA
           C(NC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC1(OC(C(O)C1OP(=O)(O)O)n2(c3(c(nc2)c(N)ncn3))))CC(=O)NCCSC(=O
                      InChI=1/C45H68N7O19P3S/c1-24(28-9-10-29-27-8-7-25-18-26(53)12-14-44(25,4)30(27)19-32(54)45(2
3-OXO-DELTA46-CHOLYL-COA
           c1(N)(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(O)=O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O
3-OXO-DEOXYCHOLYL-COA InChI=1/C45H72N7O19P3S/c1-24(28-9-10-29-27-8-7-25-18-26(53)12-14-44(25,4)30(27)19-32(54)45(2
           C1(=O)(OC(=CC1)CC(O)=O)
                      InChI=1/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1H,2-3H2,(H,7,8)
3-OXOADIPATE-ENOL-LACTONE
           C([OH])(=O)[CH2]C(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
3-OXODODECANOATE InChI=1/C12H22O3/c1-2-3-4-5-6-7-8-9-11(13)10-12(14)15/h2-10H2,1H3,(H,14,15)
           [CH3]C13([CH](C2([CH]([CH2][CH2]1)C([CH3])([CH3])C(=O)[CH2][CH2]2)([CH3]))C(=O)[CH]=C4(C3([CH3])[CH2][CH2
3-OXOGLYCYRRHETINATE  InChI=1/C30H44O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34
           CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)
3-OXOPALMITOYL-COAInChI=1/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)CCCC(=O)O)COP(O)(=O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(=O)O)n2(c3
3-OXOPIMELOYL-COA InChI=1/C28H44N7O20P3S/c1-28(2,23(42)26(43)31-7-6-17(37)30-8-9-59-19(40)10-15(36)4-3-5-18(38)
           [CH3][CH]([CH3])[CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH]([CH3])[CH2][CH2]C(=O)[CH]([CH3])C(=O)S[CH2
3-OXOPRISTANOYL-COA   InChI=1/C40H70N7O18P3S/c1-24(2)10-8-11-25(3)12-9-13-26(4)14-15-28(48)27(5)39(53)69-19-18-42-
           C(C(=O)C(O)=O)OP(=O)(O)O
3-P-HYDROXYPYRUVATE   InChI=1/C3H5O7P/c4-2(3(5)6)1-10-11(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
                      InChI=1/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
3-P-SERINE C(C(N)C(O)=O)OP(O)(=O)O
           C(O)(=O)CCc1(ccccc1)
3-PHENYLPROPIONATEInChI=1/C9H10O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)
           C(=O)(O)C(O)C(O)C(C(O)C(O)=O)OP(O)(O)=O
3-PHOSPHOGLUCARATE    InChI=1/C6H11O11P/c7-1(2(8)5(10)11)4(3(9)6(12)13)17-18(14,15)16/h1-4,7-9H,(H,10,11)(H,12,13)(H2
           c1(ncc(cc1)CC(O)=O)
3-PYRIDYLACETIC-ACID InChI=1/C7H7NO2/c9-7(10)4-6-2-1-3-8-5-6/h1-3,5H,4H2,(H,9,10)
           C(=O)(O)C(N)CS(=O)O
3-SULFINOALANINE InChI=1/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2H,1,4H2,(H,5,6)(H,7,8)
           C(S(=O)O)C(=O)C(O)=O
3-SULFINYL-PYRUVATE InChI=1/C3H4O5S/c4-2(3(5)6)1-9(7)8/h1H2,(H,5,6)(H,7,8)
           C1(=CC(S(=O)(O)=O)=C(O)C(O)=C1)
3-SULFOCATECHOL       InChI=1/C6H6O5S/c7-4-2-1-3-5(6(4)8)12(9,10)11/h1-3,7-8H,(H,9,10,11)
           C(C(N)C(O)=O)n1(c(=O)[nH]c(=O)cc1)
3-URACIL-1-YL-L-SERINEInChI=1/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)
           C(O)(=O)C(C)C[NH]C(=O)N
3-UREIDO-ISOBUTYRATE  InChI=1/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)
           C(CC(=O)O)NC(N)=O
3-UREIDO-PROPIONATE   InChI=1/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
           [CH3]Oc3(c2(oc(c1([cH]c([OH])c([OH])[cH][cH]1))c([OH])c(=O)c2c([OH])[cH]c([OH])3))
                      InChI=1/C16H12O8/c1-23-15-10(20)5-9(19)11-12(21)13(22)14(24-16(11)15)6-2-3-7(17)8(18)4-6/h2-5,
33457-PENTAHYDROXY-8-METHOXYFLAVON
           [cH]1(c([cH]c([OH])c([OH])[cH]1)c2(c([OH])c(=O)c3(c(o2)c([OH])c([OH])[cH]c([OH])3)))
                      InChI=1/C15H20O8/c16-6-2-1-5(3-7(6)17)14-13(22)12(21)10-8(18)4-9(19)11(20)15(10)23-14/h1-2,5,8
334578-HEXAHYDROXYFLAVONE
           C1(N=C(C(O)=O)CSC1)
                      InChI=1/C5H7NO2S/c7-5(8)4-3-9-2-1-6-4/h1-3H2,(H,7,8)
34-DEHYDRO-14-THIOMORPHOLINE-3-CARBOXY
           C1(=C(Cl)C=CC(=C1)N)(Cl)
34-DICHLOROANILINE InChI=1/C6H5Cl2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
           [CH3]c1(c(c([OH])c([OH])[cH][cH]1)[CH2][CH2][CH]3([CH]2(C([CH3])(C(=O)[CH2][CH2]2)[CH2][CH2]C(=O)3)))
                      InChI=1/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13
34-DIHYDROXY-910-SECOANDROSTA-13510
           C(=O)Cc1(ccc(O)c(c1)O)
                      InChI=1/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2
34-DIHYDROXYPHENYLACETALDEHYDE
           C(=O)(O)C(=O)Cc1(cc(O)c(O)cc1)
                      InChI=1/C9H8O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,10-11H,4H2,(H,13,14)
34-DIHYDROXYPHENYLPYRUVATE
           COc1(c(OC)c(O)c2(c(c1)oc(c(c2=O)OC)c3(cc(O)c(O)cc3)))
                      InChI=1/C18H16O8/c1-23-12-7-11-13(14(21)17(12)24-2)15(22)18(25-3)16(26-11)8-4-5-9(19)10(20)6-8
345-TRIHYDROXY-367-TRIMETHOXYFLAVO
           COc2(cc1(oc(c(OC)c(=O)c1c(c2)O)c3(cc(O)c(O)cc3)))
                       InChI=1/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,1
345-TRIHYDROXY-37-DIMETHOXYFLAVONE
           COc1(c(O)c(O)c2(c(c1)oc(c(c2=O)OC)c3(cc(O)c(O)cc3)))
                       InChI=1/C17H14O8/c1-23-11-6-10-12(14(21)13(11)20)15(22)17(24-2)16(25-10)7-3-4-8(18)9(19)5-7/h3
3456-TETRAHYDROXY-37-DIMETHOXYFLAV
           COc2(c(c1(cc(O)c(O)cc1))oc3(c(c2=O)c(O)cc(c3)O))
                       InChI=1/C16H12O7/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7/h2-6,17-
3457-TETRAHYDROXY-3-METHOXYFLAVONE
           C(=O)(O)c1(cc(Br)c(O)c(c1)Br)
                       InChI=1/C7H4Br2O3/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,10H,(H,11,12)
35-DIBROMO-4-HYDROXY-BENZOATE
           C(#N)C1(=CC(Br)=C(O)C(Br)=C1)
                       InChI=1/C7H3Br2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
35-DIBROMO-4-HYDROXYBENZONITRILE
           c1(Cl)(c(O)c(O)cc(c1)Cl)
35-DICHLOROCATECHOL    InChI=1/C6H4Cl2O2/c7-3-1-4(8)6(10)5(9)2-3/h1-2,9-10H
           COc2(cc1(oc(c(OC)c(=O)c1c(c2)O)c3(cc(O)c(OC)cc3)))
                       InChI=1/C18H16O7/c1-22-10-7-12(20)15-14(8-10)25-17(18(24-3)16(15)21)9-4-5-13(23-2)11(19)6-9/h4
35-DIHYDROXY-347-TRIMETHOXYFLAVONE
           C2(C(O)=C(C1(=CC(O)=C(O)C=C1))OC3(=C2C(O)=CC(=C3)O))(=O)
                       InChI=1/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,2
35734-PENTAHYDROXYFLAVONE
           C1(Cl)(C(O)=C(O)C(Cl)=CC=1)
36-DICHLOROCATECHOL    InChI=1/C6H4Cl2O2/c7-3-1-2-4(8)6(10)5(3)9/h1-2,9-10H
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(OC(=O)CC1))COP(=O)(O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O)(O
                       InChI=1/C27H42N7O19P3S/c1-27(2,22(39)25(40)30-6-5-16(35)29-7-8-57-18(37)9-14-3-4-17(36)50-14)
36-LACTONE-OF-3-HYDROXYADINYL-COA
           CC(O)(C=C)CCC=C(C)C
                       InChI=1/C10H18O/c1-5-10(4,11)8-6-7-9(2)3/h5,7,11H,1,6,8H2,2-4H3
37-DIMETHYLOCTA-16-DIEN-3-OL
3FE-4S                 InChI=1/3Fe.4S
           [Fe]13(S2([Fe](S1)S[Fe]2S3))
3H1INDANONE            InChI=1/C9H8O2/c10-8-5-9(11)7-4-2-1-3-6(7)8/h1-4,8,10H,5H2
           c1(ccc2(c(c1)C(=O)CC(O)2))
           C([O-1])(=O)C(=O)C(O)COP(=O)(O)O
                       InChI=1/C4H7O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2,5H,1H2,(H,7,8)(H2,9,10,11)/p-1
3OH-4P-OH-ALPHA-KETOBUTYRATE
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC
3S-CITRYL-COA          InChI=1/C27H42N7O22P3S/c1-26(2,20(40)23(41)30-4-3-14(35)29-5-6-60-16(38)8-27(44,25(42)43)7-15
           C1(NC(C(=CC)C(C)(C)1)=Cc2(nc(c(c(C)2)CCC([O-1])=O)C=C3(N=C(C(C)=C3CCC([O-1])=O)C=C4(C(C)=C(CC)C(=O)N4)))
3Z-PHYCOCYANOBILIN InChI=1/C34H40N4O6/c1-8-20-17(3)26(37-32(20)43)14-24-18(4)21(10-12-30(39)40)27(35-24)16-28-2
           CC=C1(C(NC(=O)[CH]1C)=Cc2(nc(c(c2C)CCC([O-1])=O)C=C3(N=C(C(C)=C3CCC([O-1])=O)C[CH]4(C(C)=C(C(N4)=O)CC)
3Z-PHYCOERYTHROBILIN   InChI=1/C33H40N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-2
           C=CC1(=C(C)C(NC1=O)=CC2(=NC(C(=C2C)CCC([O-1])=O)=Cc3(nc(c(C)c3CCC([O-1])=O)C=C4(C(=CC)[CH](C)C(N4)=O))
3Z-PHYTOCHROMOBILIN    InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-2
           c1(ncc(cc1)CCCC(O)=O)
4-3-PYRIDYL-BUTANOATE  InChI=1/C9H11NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h2,4,6-7H,1,3,5H2,(H,11,12)
           CC(=O)NCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)N2(c3(c(N=
4-ACETAMIDOBUTANOYL    InChI=1/C27H45N8O18P3S/c1-15(36)29-7-4-5-18(38)57-10-9-30-17(37)6-8-31-25(41)22(40)27(2,3)12-
           CC1([CH]2(C(CCC(O)1)(C)[CH]3(C(=CC2)[CH]4(C(CC3)(C)[CH](CC4)C(C)CCCC(C)C))))
4-ALPHA-METHYL-5-ALPHA InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-1
           CC(C)CCCC(C)[CH]1(C2(C)([CH](CC1)C3([CH](CC2)C4(C)([CH](CC=3)C(C)C(=O)CC4))))
                       InChI=1/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-1
4-ALPHA-METHYL-5-ALPHA-CHOLEST-7-EN-3-ON
           C1(C(N)C(O)C(O)C(O1)O)
                       InChI=1/C5H11NO4/c6-2-1-10-5(9)4(8)3(2)7/h2-5,7-9H,1,6H2
4-AMINO-4-DEOXY-L-ARABINOSE
           C(C1(Nc2(c(NC1)nc(N)nc2N)))Nc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O)
4-AMINO-4-DEOXY-THF    InChI=1/C19H24N8O5/c20-15-14-16(27-19(21)26-15)23-8-11(24-14)7-22-10-3-1-9(2-4-10)17(30)25-12
           C=C(C(O)=O)OC1(C(N)C=CC(=C1)C(O)=O)
                       InChI=1/C10H11NO5/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8H,1,11H2,(H,12,13)(H,14,15
4-AMINO-4-DEOXYCHORISMATE
           C(O)(=O)c1(c(N)[nH]cn1)
                       InChI=1/C4H5N3O2/c5-3-2(4(8)9)6-1-7-3/h1H,5H2,(H,6,7)(H,8,9)
4-AMINO-5-IMIDAZOLE_CARBOXYLATE
           C(=O)CCCN InChI=1/C4H9NO/c5-3-1-2-4-6/h4H,1-3,5H2
4-AMINO-BUTYRALDEHYDE
           C(=O)(O)CCCN
4-AMINO-BUTYRATE InChI=1/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCN)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n2(c3(c(nc2)c(N)nc
4-AMINOBUTANOYL-COA    InChI=1/C25H43N8O17P3S/c1-25(2,20(37)23(38)29-7-5-15(34)28-8-9-54-16(35)4-3-6-26)11-47-53(44,
           CC13(C(=CC(=O)CC1)CCC4(C2(C(C(=O)CC2)(C)CCC34)))
4-ANDROSTENE-317-DIONE InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16
           C(=O)(O)C=C(C(O)=O)C=C(O)C(O)=O
                       InChI=1/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)
4-CARBOXY-2-HYDROXY-CISCIS-MUCONATE
           C(=O)c1(ccc(cc1)C(O)=O)
4-CARBOXYBENZALDEHYDE  InChI=1/C8H6O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,(H,10,11)
           C(O)c1(ccc(C(=O)O)cc1)
4-CARBOXYBENZYL-ALCOHOLInChI=1/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
           CC1(C(OC(C=1)=O)CC(O)=O)
                       InChI=1/C7H8O4/c1-4-2-7(10)11-5(4)3-6(8)9/h2,5H,3H2,1H3,(H,8,9)
4-CARBOXYMETHYL-3-METHYLBUT-2-EN-14-OLI
           CC1(CC(O)=O)(OC(=O)C=C1)
                       InChI=1/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)
4-CARBOXYMETHYL-4-METHYLBUT-2-EN-14-OLI
           C(=O)(O)C=C1(OC(=O)C=C1)
                       InChI=1/C6H4O4/c7-5(8)3-4-1-2-6(9)10-4/h1-3H,(H,7,8)
4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE
           C(#N)CC1(=CC=C(Cl)C=C1)
                       InChI=1/C8H6ClN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
4-CHLOROPHENYLACETONITRILE
           C1(=C(Cl)C=CC(=C1)O)(O)
4-CHLORORESORCINOLInChI=1/C6H5ClO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
           C(=O)(OC1(C(O)C(O)CC(O)(C1)C(O)=O))C=Cc2(ccc(O)cc2)
4-COUMAROYLQUINATE     InChI=1/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11
           CC(O)(CO)C(O)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1O)n2(c(=O)nc(N)cc2))
                       InChI=1/C14H26N3O14P2/c1-14(23,6-18)8(19)5-29-33(26,27)31-32(24,25)28-4-7-10(20)11(21)12(30-7
4-CYTIDINE-5-DIPHOSPHO-2-C
           CC(=O)NC1(C(C(O)C(OC1O)COS(=O)(O)=O)OC2(C(O)C(O)C=C(O2)C(O)=O))
                       InChI=1/C14H21NO14S/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(2
4-DEOXY-BETA-D-GLUC-4-ENURONOSYL-SULFATE
           CC(=O)NC1(C(C(O)C(CO)OC1O)OC2(C(O)C(O)C=C(O2)C(O)=O))
                       InChI=1/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22
4-DEOXY-BETA-ETCETERA-GALACTOSAMINE
           CC(=O)NC1(C(C(OS(=O)(O)=O)C(CO)OC1O)OC2(C(O)C(O)C=C(O2)C(O)=O))
                       InChI=1/C14H21NO14S/c1-4(17)15-8-11(10(29-30(23,24)25)7(3-16)26-13(8)22)28-14-9(19)5(18)2-6(2
4-DEOXY-BETA-ETCETERA-SULFATE
           C1(C=CC(=CC=1)N(C)C)N=NC2(=CC=CC=C2)
                       InChI=1/C14H15N3/c1-17(2)14-10-8-13(9-11-14)16-15-12-6-4-3-5-7-12/h3-11H,1-2H3
4-DIMETHYLAMINOPHENYLAZOBENZENE
           c1(ccccc1)N(=O)=Nc2(ccc(N(C)C)cc2)
                       InChI=1/C14H15N3O/c1-16(2)13-10-8-12(9-11-13)15-17(18)14-6-4-3-5-7-14/h3-11H,1-2H3
4-DIMETHYLAMINOPHENYLAZOXYBENZENE
           C(=O)(O)c1(ccc(F)cc1)
4-FLUOROBENZOATE InChI=1/C7H5FO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
           [CH](=O)c1(ccc(S(=O)(O)=O)cc1)
                       InChI=1/C7H6O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-5H,(H,9,10,11)
4-FORMYLBENZENESULFONATE
          C(=O)(O)C=CC(=O)CC(=O)CC(O)=O
                     InChI=1/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)
4-FUMARYL-ACETOACETATE
          C(NC(=N)N)CCC(N)=O
4-GUANIDO-BUTYRAMIDE InChI=1/C5H12N4O/c6-4(10)2-1-3-9-5(7)8/h1-3H2,(H2,6,10)(H4,7,8,9)
          C(NC(=N)N)CCC(O)=O
4-GUANIDO-BUTYRATEInChI=1/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
          [CH2]([OH])C#C[CH]=O
4-HYDROXY-2-BUTYNAL  InChI=1/C4H4O2/c5-3-1-2-4-6/h3,6H,4H2
          CC(O)CC(=O)C(=O)O
                     InChI=1/C5H8O4/c1-3(6)2-4(7)5(8)9/h3,6H,2H2,1H3,(H,8,9)
4-HYDROXY-2-KETOVALERATE
          c1(c(c2(c(O)cccc([nH]1)2))CC(=NOS(O)(=O)=O)SC3(C(CO)C(O)C(O)C(O3)O))
                     InChI=1/C16H20N2O10S2/c19-6-8-13(21)14(22)15(23)27-16(8)29-11(18-28-30(24,25)26)4-7-5-17-9-2-
4-HYDROXY-3-INDOLYLMETHYL-GLUCOSINOLATE
          C(O)C1(=CC=C(O)C=C1)
                     InChI=1/C7H8O2/c8-5-6-1-3-7(9)4-2-6/h1-4,8-9H,5H2
4-HYDROXY-BENZYL-ALCOHOL
          C(O)(=O)CCCO
4-HYDROXY-BUTYRATEInChI=1/C4H8O3/c5-3-1-2-4(6)7/h5H,1-3H2,(H,6,7)
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(
4-HYDROXY-BUTYRYL-COAInChI=1/C25H42N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-54-16(35)4-3-8-33)11-47-53(44,
          CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1(cc(OC)c(O)cc1))COP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=O)
                     InChI=1/C31H46N7O20P3S/c1-31(2,26(44)29(45)34-7-6-21(41)33-8-9-62-22(42)11-18(40)16-4-5-17(39
4-HYDROXY-ETCETERA-HYDROXYPROPIONYL-COA
          C(O)(=O)C1(CC(O)CN1)
4-HYDROXY-L-PROLINE InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
          C1(=CC(NO)=C2(C(=[N+1]([O-1])1)C=CC=C2))
                     InChI=1/C9H8N2O2/c12-10-8-5-6-11(13)9-4-2-1-3-7(8)9/h1-6,10,12H
4-HYDROXYAMINOQUINOLINE-N-OXIDE
          [CH](=O)c1(ccc(O)cc1)
4-HYDROXYBENZALDEHYDEInChI=1/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H
          C(=O)(O)C1(CCC(O)CC1)
                     InChI=1/C7H12O3/c8-6-3-1-5(2-4-6)7(9)10/h5-6,8H,1-4H2,(H,9,10)
4-HYDROXYCYCLOHEXANECARBOXYLATE
          C(=O)(O)C(O)c1(ccc(O)cc1)
4-HYDROXYMANDELATE   InChI=1/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
          [CH2]([OH])c1([cH][cH]c(S(=O)(=O)[OH])[cH][cH]1)
                     InChI=1/C7H10O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1,3,8H,2,4-5H2,(H,9,10,11)
4-HYDROXYMETHYLBENZENESULFONATE
          C(O)c1(ccc(NN)cc1)
                     InChI=1/C7H10N2O/c8-9-7-3-1-6(5-10)2-4-7/h1-4,9-10H,5,8H2
4-HYDROXYMETHYLPHENYLHYDRAZINE
          [CH](=O)C=C(O)C=CC(O)=O
                     InChI=1/C6H6O4/c7-4-3-5(8)1-2-6(9)10/h1-4,8H,(H,9,10)
4-HYDROXYMUCONIC-SEMIALDEHYDE
          C(=O)(O)Cc1(ccc(O)cc1)
                     InChI=1/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
4-HYDROXYPHENYLACETATE
          c1(c(ncn1)CC(O)=O)
4-IMIDAZOLEACETATE InChI=1/C5H6N2O2/c8-5(9)1-4-2-6-3-7-4/h2-3H,1H2,(H,6,7)(H,8,9)
          C1(C(NC=N1)CCC(=O)O)(=O)
                     InChI=1/C6H8N2O3/c9-5(10)2-1-4-6(11)8-3-7-4/h3-4H,1-2H2,(H,9,10)(H,7,8,11)
4-IMIDAZOLONE-5-PROPIONATE
          C(=O)(O)C=CC(=O)CC(=O)CC(O)=O
4-MALEYL-ACETOACETATEInChI=1/C8H8O6/c9-5(1-2-7(11)12)3-6(10)4-8(13)14/h1-2H,3-4H2,(H,11,12)(H,13,14)
          c1(c(c2(c(OC)cccc([nH]1)2))CC(=NOS(O)(=O)=O)SC3(C(CO)C(O)C(O)C(O3)O))
                     InChI=1/C17H22N2O10S2/c1-27-11-4-2-3-10-13(11)8(6-18-10)5-12(19-29-31(24,25)26)30-17-9(7-20)1
4-METHOXY-3-INDOLYLMETHYL-GLUCOSINOLATE
          CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)C(O)CC4))))
                     InChI=1/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-1
4-METHYL-824-CHOLESTADIENOL
          COC1(C(O)C(O)C(O)C(O)C1O)
4-METHYL-MYO-INOSITOLInChI=1/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3
          CC1(=CC(O)=C(O)C=C1)
4-METHYLCATECHOL InChI=1/C7H8O2/c1-5-2-3-6(8)7(9)4-5/h2-4,8-9H,1H3
          CC(C)CCC=O
4-METHYLPENTANAL InChI=1/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3
          Cc1(c(O)cc(O)cc1)
4-METHYLRESORCINOLInChI=1/C7H8O2/c1-5-2-3-6(8)4-7(5)9/h2-4,8-9H,1H3
          C1(=CC=C(N)C=C1)([N+1]([O-1])=O)
4-NITROANILINE       InChI=1/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2
          C(O)C1(CC(C(O)C(=O)C(O)1)Nc2(ccc([N+1](=O)[O-1])cc2))
                     InChI=1/C13H16N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-4,7,10-12,14,
4-NITROPHENYL-3-KETOVALIDAMINE
          C1(=CC([N+1]([O-1])=O)=C2(C(=[N+1]([O-1])1)C=CC=C2))
                     InChI=1/C9H6N2O3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6H
4-NITROQUINOLINE-N-OXIDE
          C(=O)(O)C(=O)CC(O)(C(O)=O)CC(O)=O
                     InChI=1/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)
4-OH-4-ACETYL-2-OXOGLUTARATE
          C(=O)(O)CC(C(O)=O)(O)CC(=O)C(O)=O
4-OXALOCITRAMALATEInChI=1/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)
          C(=O)(O)C=C(C(=O)O)CC(=O)C(=O)O
4-OXALOMESACONATEInChI=1/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2H,1H2,(H,9,10)(H,11,12)(H,13,14)
                     InChI=1/C7H7O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h2-3H,1H2,(H,9,10)(H,11,12)(H,13,14)
4-OXOBUT C(O)(=O)C(=O)CC(C(=O)O)C=C(=O)O
          C(=O)(O)C1(CCC(=O)CC1)
                     InChI=1/C7H10O3/c8-6-3-1-5(2-4-6)7(9)10/h5H,1-4H2,(H,9,10)
4-OXOCYCLOHEXANECARBOXYLATE
          C(N)(=O)C(=O)CCC(O)=O
4-OXOGLUTARAMATE InChI=1/C5H7NO4/c6-5(10)3(7)1-2-4(8)9/h1-2H2,(H2,6,10)(H,8,9)
          C1(C(=O)CC(N1)C(O)=O)
4-OXOPROLINE         InChI=1/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h4,6H,1-2H2,(H,8,9)
          C(CS)NC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)O
4-P-PANTHETHEINE InChI=1/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H
          C(OP(O)(=O)O)C(C)(C)C(O)C(=O)NCCC(O)=O
4-P-PANTOTHENATE InChI=1/C9H18NO8P/c1-9(2,5-18-19(15,16)17)7(13)8(14)10-4-3-6(11)12/h7,13H,3-5H2,1-2H3,(H,10,1
          [CH2](OP([OH])(=O)[OH])[CH]([OH])[CH]([NH2])C(=O)[OH]
                     InChI=1/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)
4-PHOSPHONOOXY-THREONINE
          CC(C)=CCc1(c(O)c(C(=O)C(C)C)c(O)cc(O)1)
                     InChI=1/C15H20O4/c1-8(2)5-6-10-11(16)7-12(17)13(15(10)19)14(18)9(3)4/h5,7,9,16-17,19H,6H2,1-4H
4-PRENYLPHLORISOBUTYROPHENONE
          C(=O)C1(=CC=C(C=C1)S(=O)(=O)O)
4-SULFOBENZALDEHYDE  InChI=1/C7H6O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-5H,(H,9,10,11)
          C(O)C1(C=CC(=CC=1)S(=O)(O)=O)
4-SULFOBENZYL-ALCOHOLInChI=1/C7H8O4S/c8-5-6-1-3-7(4-2-6)12(9,10)11/h1-4,8H,5H2,(H,9,10,11)
          Cc1(ccc(cc1)C(=O)O)
4-TOLUENECARBOXYLATE InChI=1/C8H8O2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H,9,10)
          CC1(=CC=C(S(=O)(=O)O)C=C1)
4-TOLUENESULFONATEInChI=1/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
          C(=O)CCC[N+1](C)(C)C
                     InChI=1/C7H16NO/c1-8(2,3)6-4-5-7-9/h7H,4-6H2,1-3H3/q+1
4-TRIMETHYLAMMONIOBUTANAL
           C(O)(=O)c1(ccc(O)cc1)
4-hydroxybenzoate InChI=1/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
           C2([N+1]1([CH](C[CH](C(C=1)=CC)C(C=O)C(=O)OC)c3(c(C2)c4(c(n3)cccc4))))
                      InChI=1/C21H23N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(
421-DEHYDROGEISSOSCHIZINE
           CC(C)CCCC(C)[CH]1(C2(C)(C(C)(CC1)C3([CH](CC2)C4(C)([CH](CC=3)C(C)(C)C(O)CC4))))
                      InChI=1/C30H52O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(2
44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET
           CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)(C)C(O)CC4))))
                      InChI=1/C29H48O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)1
44-DIMETHYL-824-CHOLESTADIENOL
           CC(C)=CCCC(C)C1(C2(C)(C(=CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)(C)C(O)CC4))))
                      InChI=1/C29H46O/c1-19(2)9-8-10-20(3)22-12-13-23-21-11-14-25-27(4,5)26(30)16-18-29(25,7)24(21)1
44-DIMETHYL-CHOLESTA-812-24-TRIENOL
           C1(C(O)C(O)CSS1)
                      InChI=1/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2
45-CIS-DIHYDROXY-12-DITHIACYCLOHEXANE
           [CH3][CH]([CH3])[CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH]([CH3])[CH2][CH2]C(=O)S[CH2][CH2][NH]C(=O)[
                      InChI=1/C37H66N7O17P3S/c1-23(2)9-7-10-24(3)11-8-12-25(4)13-14-28(46)65-18-17-39-27(45)15-16-
4812-TRIMETHYLTRIDECANOYL-COA
           c1(ccc2(C(=O)c3(c(c(c1)2)c(O)ccc3)))
4H9FLUORENONE         InChI=1/C13H8O2/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)15/h1-7,14H
           [CH](=O)[CH]([OH])[CH]([OH])[CH2]C(=O)C(=O)[OH]
                      InChI=1/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h2-3,5,8,10H,1H2,(H,11,12)
4S5S-45-DIHYDROXY-26-DIOXOHEXANOATE
           C3(C1(CN(C=[N+1]1c2(c(=O)[nH]c(N)nc2N3))c4(ccc(cc4)C(=O)NC(C(O)=O)CCC(O)=O)))
5,10-methenyl-thf     InChI=1/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30
           CC(=O)OCC(O)C#Cc1(sc(cc1)c2(sccc2))
                      InChI=1/C14H12O3S2/c1-10(15)17-9-11(16)4-5-12-6-7-14(19-12)13-3-2-8-18-13/h2-3,6-8,11,16H,9H2
5-3-HYDROXY-4-ACETOXYBUT-1-YNYL-22-B
           CC(=O)OCC(OC(=O)C)C#Cc1(sc(cc1)c2(sccc2))
                      InChI=1/C16H14O4S2/c1-11(17)19-10-13(20-12(2)18)5-6-14-7-8-16(22-14)15-4-3-9-21-15/h3-4,7-9,13
5-34-DIACETOXYBUT-1-YNYL-22-BITHIOP
           CC(=O)OCCC#Cc1(sc(cc1)c2(sccc2))
                      InChI=1/C14H12O2S2/c1-11(15)16-9-3-2-5-12-7-8-14(18-12)13-6-4-10-17-13/h4,6-8,10H,3,9H2,1H3
5-4-ACETOXYBUT-1-YNYL-2-2-BITHIOPHENE
           c1(sc(cc1)c2(sc(cc2)C#CCCO))
                      InChI=1/C12H10OS2/c13-8-2-1-4-10-6-7-12(15-10)11-5-3-9-14-11/h3,5-7,9,13H,2,8H2
5-4-HYDROXYBUT-1-YNYL-22-BITHIOPHENE
           C(NC(=O)C)CCCC(=O)O
5-ACETAMIDOVALERATE   InChI=1/C7H13NO3/c1-6(9)8-5-3-2-4-7(10)11/h2-5H2,1H3,(H,8,9)(H,10,11)
           CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C)(C(CC=3)CC(O)CC4))))
                      InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-2
5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL
           C(N)CCC(=O)C(O)=O
                      InChI=1/C5H9NO3/c6-3-1-2-4(7)5(8)9/h1-3,6H2,(H,8,9)
5-AMINO-2-OXOPENTANOATE
           c1(nn(c(=O)c(Cl)c1N)C(=O)C(O)=CC=CC(O)=O)
                      InChI=1/C10H8ClN3O5/c11-8-5(12)4-13-14(10(8)19)9(18)6(15)2-1-3-7(16)17/h1-4,15H,12H2,(H,16,17
5-AMINO-4-CHLORO-2-2-HYDROXYMUCONOYL-3
           c1(nn(c(=O)c(Cl)c1N)c2(c(O)c(O)ccc2))
                      InChI=1/C10H8ClN3O3/c11-8-5(12)4-13-14(10(8)17)6-2-1-3-7(15)9(6)16/h1-4,15-16H,12H2
5-AMINO-4-CHLORO-2-23-DIHYDROXYPHENYL
           C(N)C(=O)CCC(=O)O
5-AMINO-LEVULINATE InChI=1/C5H9NO3/c6-3-4(7)1-2-5(8)9/h1-3,6H2,(H,8,9)
           C(N)CCCC(=O)N
5-AMINOPENTANAMIDE    InChI=1/C5H12N2O/c6-4-2-1-3-5(7)8/h1-4,6H2,(H2,7,8)
           C(=O)(O)CCCCN
5-AMINOPENTANOATEInChI=1/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
           C(=O)([O-1])c1(nc(=O)nc(n1)=O)
5-AZAOROTATE          InChI=1/C4H3N3O4/c8-2(9)1-5-3(10)7-4(11)6-1/h(H,8,9)(H2,5,6,7,10,11)/p-1
           CC14(C(=O)CC[CH]([CH]2([CH](CC1)C3(C)([CH](CC2)CC(=O)CC3)))4)
                      InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16
5-BETA-ANDROSTANE-317-DIONE
           CC(C)CCCC(C)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2O)C4(C)([CH](CC3O)CC(O)CC4))))
                      InChI=1/C27H48O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-1
5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP
           CC(CO)CCCC(C)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2O)C4(C)([CH](CC3O)CC(O)CC4))))
                      InChI=1/C27H48O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)1
5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL
           c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(=O)CO3)))
                      InChI=1/C14H20N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12
5-BETA-L-THREO-PENTAPYRANOSYL-4-ULOSE-
           C(O)C(=O)C(O)C(O)C(O)C(O)=O
5-DEHYDROGLUCONATE    InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)
           C1(OP(O)(O)=O)(C(OP(O)(O)=O)C(OP(O)(O)=O)C(C(OP(O)(O)=O)C1OP(O)(O)=O)OP(=O)(O)OP(O)(O)=O)
                      InChI=1/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)
5-DIPHOSPHO-1D-MYO-INOSITOL-12346P
           CCSCC1(OC(C(O)C1O)N2(c3(c(N=C2)c(N)ncn3)))
5-ETHYLTHIOADENOSINE  InChI=1/C12H17N5O3S/c1-2-21-3-6-8(18)9(19)12(20-6)17-5-16-7-10(13)14-4-15-11(7)17/h4-6,8-9,12,
           C(C1(N(C=N)c2(c(NC1)nc(N)[nH]c2=O)))Nc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O)
5-FORMIMINO-THF InChI=1/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31
           C([CH]1(N(C=O)c2(c(NC1)nc(N)[nH]c2=O)))Nc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O)
5-FORMYL-THF          InChI=1/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31
           C(=O)(O)Cc1(c(O)ncn1)
                      InChI=1/C5H6N2O3/c8-4(9)1-3-5(10)7-2-6-3/h2,10H,1H2,(H,6,7)(H,8,9)
5-HYDROXY-4-IMIDAZOLEACETATE
           C(=O)C=Cc1(cc(OC)c(O)c(c1)O)
                      InChI=1/C10H10O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-6,12-13H,1H3
5-HYDROXY-CONIFERALDEHYDE
           C(O)C=Cc1(cc(OC)c(O)c(O)c1)
                      InChI=1/C10H12O4/c1-14-9-6-7(3-2-4-11)5-8(12)10(9)13/h2-3,5-6,11-13H,4H2,1H3
5-HYDROXY-CONIFERYL-ALCOHOL
           c1(n(c(=O)nc(N)c1O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O))
5-HYDROXY-CTP         InChI=1/C9H17N3O15P3/c10-7-3(13)1-12(9(16)11-7)8-6(15)5(14)4(25-8)2-24-29(20,21)27-30(22,23)2
           C(O)(=O)C=Cc1(cc(OC)c(O)c(O)c1)
5-HYDROXY-FERULIC-ACIDInChI=1/C10H10O5/c1-15-8-5-6(2-3-9(12)13)4-7(11)10(8)14/h2-5,11,14H,1H3,(H,12,13)
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1(cc(OC)c(O)c(c1)O))COP(O)(=O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2
5-HYDROXY-FERULOYL-COAInChI=1/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42
           C(N)C(O)CCC(N)C(O)=O
5-HYDROXY-L-LYSINE InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)
           C1(N[CH](C(O)=O)CC[CH](O)1)
5-HYDROXY-PIPECOLATE  InChI=1/C6H11NO3/c8-4-1-2-5(6(9)10)7-3-4/h4-5,7-8H,1-3H2,(H,9,10)
           C(=O)(O)C(N)Cc1(c[nH]c2(ccc(O)cc12))
5-HYDROXY-TRYPTOPHAN  InChI=1/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15
           c1(c(CC=O)c2(c([nH]1)ccc(O)c2))
                      InChI=1/C10H9NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,4-6,11,13H,3H2
5-HYDROXYINDOLE_ACETALDEHYDE
           C(=O)(O)Cc1(c2(c([nH]c1)ccc(c2)O))
                      InChI=1/C10H9NO3/c12-7-1-2-9-8(4-7)6(5-11-9)3-10(13)14/h1-2,4-5,11-12H,3H2,(H,13,14)
5-HYDROXYINDOLE_ACETATE
           C12(=NC(=O)[NH]C(=O)C([NH]C(=N1)[O-1])(O)2)
5-HYDROXYISOURATE InChI=1/C5H4N4O4/c10-2-5(13)1(6-3(11)8-2)7-4(12)9-5/h13H,(H3,6,7,8,9,10,11,12)/p-1
           C(O)CCCC(O)=O
5-HYDROXYPENTANOATE   InChI=1/C5H10O3/c6-4-2-1-3-5(7)8/h6H,1-4H2,(H,7,8)
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCO)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(c3
5-HYDROXYPENTANOYL-COAInChI=1/C26H44N7O18P3S/c1-26(2,21(38)24(39)29-7-6-16(35)28-8-10-55-17(36)5-3-4-9-34)12-48-54(
           [CH3]C([CH3])([CH]([OH])C(=O)[NH][CH2][CH2]C(=O)[NH][CH2][CH2]SC(=O)c1(sc([OH])[cH][cH]1))[CH2]OP([OH])(=
                      InChI=1/C26H38N7O18P3S2/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-55-25(39)14-3-4-16(35)56-14)1
5-HYDROXYTHIOPHENE-2-CARBONYL-COA
          C(C(C)C)SCC(O)C(O)C(O)C=O
5-ISOBUTYLTHIORIBOSE InChI=1/C9H18O4S/c1-6(2)4-14-5-8(12)9(13)7(11)3-10/h3,6-9,11-13H,4-5H2,1-2H3
          C(O)(=O)C(O)C(O)CC(=O)C(=O)O
                     InChI=1/C6H8O7/c7-2(4(9)6(12)13)1-3(8)5(10)11/h2,4,7,9H,1H2,(H,10,11)(H,12,13)
5-KETO-4-DEOXY-D-GLUCARATE
          c1(oc2(c(c1)c(OC)c3(c(c2)oc(=O)cc3)))
                     InChI=1/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
5-METHOXYFURANOCOUMARIN
          CC1(C(=O)NC(=O)NC(=O)1)
5-METHYL-BARBITURATE InChI=1/C5H6N2O3/c1-2-3(8)6-5(10)7-4(2)9/h2H,1H3,(H2,6,7,8,9,10)
          C(C1(N(C)c2(c(NC1)nc(N)[nH]c2=O)))Nc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O)
5-METHYL-THF         InChI=1/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24
          C(O)C1(OC(C(O)C(O)1)N2(C=C(CNC)C(=O)NC2=[Se]))
                     InChI=1/C11H17N3O5Se/c1-12-2-5-3-14(11(20)13-9(5)18)10-8(17)7(16)6(4-15)19-10/h3,6-8,10,12,15-
5-METHYLAMINOMETHYL-2-SELENOURIDINE
          C1(OC(CO)C(O)C(O)1)n2(cc(CNC)c(=O)[nH]c2=S)
                     InChI=1/C11H17N3O5S/c1-12-2-5-3-14(11(20)13-9(5)18)10-8(17)7(16)6(4-15)19-10/h3,6-8,10,12,15-1
5-METHYLAMINOMETHYL-2-THIOURIDINE
          C1(OC(CSC)C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3))
5-METHYLTHIOADENOSINEInChI=1/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-
          C(SC)C1(OC(C(O)C1O)C2(c3(c(NN=2)c(N)ncn3)))
5-METHYLTHIOFORMYCIN InChI=1/C11H15N5O3S/c1-20-2-4-8(17)9(18)10(19-4)6-5-7(16-15-6)11(12)14-3-13-5/h3-4,8-10,17-18H
          C2(N(C1(OC(C(O)C1O)CSC))c3(c(C=2)c(N)ncn3))
                     InChI=1/C12H16N4O3S/c1-20-4-7-8(17)9(18)12(19-7)16-3-2-6-10(13)14-5-15-11(6)16/h2-3,5,7-9,12,1
5-METHYLTHIOTUBERCIDIN
          CCCSCC1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3)))
                     InChI=1/C13H19N5O3S/c1-2-3-22-4-7-9(19)10(20)13(21-7)18-6-17-8-11(14)15-5-16-12(8)18/h5-7,9-10
5-N-PROPYLTHIOADENOSINE
          c1(c(c2(c(n1)cccc2))CC(=O)OC3(C(O)C(C(O)C(O)C3O)OC4(C(O)C(O)C(O)C(O4)CO)))
                     InChI=1/C22H29NO12/c24-7-11-13(26)14(27)18(31)22(33-11)35-21-17(30)15(28)16(29)20(19(21)32)3
5-O-INDOL-3-YLACETYL-MYO-ETCETERA
          COC1(C(O)C(O)C(O)C(O)C1O)
                     InChI=1/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3
5-O-METHYL-MYO-INOSITOL
          [CH](O)C(=O)CC(=O)C(=O)O
                     InChI=1/C5H5O5/c6-2-3(7)1-4(8)5(9)10/h2,6H,1H2,(H,9,10)
5-OH-2-4-DIOXOPENTANOATE
          C(O)(=O)CCCC(C)=O
5-OXOHEXANOATE       InChI=1/C6H10O3/c1-5(7)3-2-4-6(8)9/h2-4H2,1H3,(H,8,9)
          C1(NC(C(O)=O)CC1)(=O)
5-OXOPROLINE         InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
          C(OP(O)(=O)O)[CH]1([CH](O)[CH](O)[CH](O1)N)
                     InChI=1/C5H12NO7P/c6-5-4(8)3(7)2(13-5)1-12-14(9,10)11/h2-5,7-8H,1,6H2,(H2,9,10,11)
5-P-BETA-D-RIBOSYL-AMINE
          C(Sc1(ccc(N(=O)=O)cc1))C2(OC(C(O)C2O)n3(c4(c(nc3)c(N)ncn4)))
                     InChI=1/C16H16N6O5S/c17-14-11-15(19-6-18-14)21(7-20-11)16-13(24)12(23)10(27-16)5-28-9-3-1-8(2
5-P-NITROPHENYLTHIOADENOSINE
          C(=O)(CNC=O)N[CH]1(O[CH]([CH](O)[CH](O)1)COP(=O)(O)O)
                     InChI=1/C8H15N2O9P/c11-3-9-1-5(12)10-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H
5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE
          C(CN)(=O)N[CH]1(O[CH]([CH](O)[CH](O)1)COP(O)(=O)O)
                     InChI=1/C7H15N2O8P/c8-1-4(10)9-7-6(12)5(11)3(17-7)2-16-18(13,14)15/h3,5-7,11-12H,1-2,8H2,(H,9,
5-PHOSPHO-RIBOSYL-GLYCINEAMIDE
          C(N)C(OP(O)(O)=O)CCC(N)C(O)=O
                     InChI=1/C6H15N2O6P/c7-3-4(14-15(11,12)13)1-2-5(8)6(9)10/h4-5H,1-3,7-8H2,(H,9,10)(H2,11,12,13)
5-PHOSPHONOOXY-L-LYSINE
          c1(c(N)n(cn1)[CH]2(O[CH]([CH](O)[CH](O)2)COP(O)(O)=O))(N)
                     InChI=1/C8H15N4O7P/c9-6-7(10)12(2-11-6)8-5(14)4(13)3(19-8)1-18-20(15,16)17/h2-5,8,13-14H,1,9-1
5-PHOSPHORIBOSYL-45-AMINOIMIDAZOLE
          c1(c(N)n(cn1)C2(OC(C(O)C2O)COP(O)(O)=O))
                     InChI=1/C8H14N3O7P/c9-5-1-10-3-11(5)8-7(13)6(12)4(18-8)2-17-19(14,15)16/h1,3-4,6-8,12-13H,2,9H
5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE
          C(=N)(CNC=O)N[CH]1(O[CH]([CH](O)[CH](O)1)COP(=O)(O)O)
                     InChI=1/C8H16N3O8P/c9-5(1-10-3-12)11-8-7(14)6(13)4(19-8)2-18-20(15,16)17/h3-4,6-8,13-14H,1-2H
5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE
          CC(C)(COCCCO)Nc1(c2(c(ccc1)C(O)CCC2))
                     InChI=1/C17H27NO3/c1-17(2,12-21-11-5-10-19)18-15-8-3-7-14-13(15)6-4-9-16(14)20/h3,7-8,16,18-20
5-TERT-BUTYLAMINOL-2-HYDROXYPRO-1234-TET
          CC(C)(COCCCO)Nc1(c2(c(ccc1)C(=O)CCC2))
                     InChI=1/C17H25NO3/c1-17(2,12-21-11-5-10-19)18-15-8-3-7-14-13(15)6-4-9-16(14)20/h3,7-8,18-19H,4
5-TERT-BUTYLAMINOL-2-HYDROXYPRO-34-DIHYD
          C(=O)(O)c1(c(nc[nH]1)NC(N)=O)
                     InChI=1/C5H6N4O3/c6-5(12)9-3-2(4(10)11)7-1-8-3/h1H,(H,7,8)(H,10,11)(H3,6,9,12)
5-UREIDO-4-IMIDAZOLE_CARBOXYLATE
          C1(CCCCO1)(=O)
5-VALEROLACTONE InChI=1/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
          C([OH])(=O)c1(nc3(c(c([OH])[cH]1)[CH]2([NH]c4(c(OC2=[CH]C(=O)3)[cH][cH][cH]c4C(=O)[CH2][CH]([NH2])C(=O)[OH
                     InChI=1/C20H15N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(
512-DIHYDROXANTHOMMATIN
          C(=O)(O)c1(cc(ccc1N(=O)=O)SSc2(cc(C(O)=O)c(N(=O)=O)cc2))
                     InChI=1/C14H8N2O8S2/c17-13(18)9-5-7(1-3-11(9)15(21)22)25-26-8-2-4-12(16(23)24)10(6-8)14(19)20
55-DITHIO-BIS2-NITROBENZOIC-ACID
          C(=O)(O)c1(nc2(c(c1)cc(O)c(c2)O))
                     InChI=1/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1-3,10-12H,(H,13,14)
56-DIHYDROXYINDOLE-2-CARBOXYLATE
          C1(C2(=C(N=CN=1)NCCN2))
                     InChI=1/C6H8N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4,8H,1-2H2,(H,7,9,10)
5678-TETRAHYDROPTERIDINE
          C=C(C(C)C)C=CC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C)(C(=CC=3)CC(O)CC4))))
                     InChI=1/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
57222428-ERGOSTATETRAENOL
          C=C(C(C)C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C)(C(=CC=3)CC(O)CC4))))
572428-ERGOSTATRIENOLInChI=1/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
          c1(ccc(O)c(c1)O)C3(=CC(=O)c2(c(O)cc(O)cc2O3))
                     InChI=1/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
5734-TETRAHYDROXYFLAVONE
          COc1(cc(ccc1O)c2(oc3(c(c(c2)=O)c(O)cc(c3)O)))
                     InChI=1/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19
574-TRIHYDROXY-3-METHOXYFLAVONE
          C(=O)(O)C(O)C(O)C(O)C(=O)CO
5K-GLUCONATE         InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)
          CCCCCC(=O)C=CC1(C(C(=O)CC1O)CC=CCCCC(O)=O)
                     InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12
5Z13E-11-ALPHA-HYDROXY-915-DIOXOPROS-ENO
          C(O)(=O)CCCC=CCC1(C(C(O)CC1=O)C=CC(O)CCCCC)
                     InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12
5Z13E-15S-11-ALPHA15-DIHYDROXY-9-O
          CCCCCC(O)C=CC1(C(C(=O)CC1O)CC=CCCCC(O)=O)
                     InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12
5Z13E-15S-11-ALPHA15-DIHYDROXY-9-O-ENOAT
          CCCCCC(O)C=CC1(C(C(=O)CC1O)CC=CCCCC(O)=O)
                     InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12
5Z13E-15S-1115-DIHYDROXY-9-OXOPROS
          CCCCCC(O)C=CC2(C1(CC(OC1CC2O)=CCCCC(O)=O))
                     InChI=1/C20H32O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,1
5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA
          CCCCCC(O)C=CC1(C(C(O)CC1O)CC=CCCCC(O)=O)
                     InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12
5Z13E-15S-9-ALPHA11-ALPHA15-TRIHY
          CCCCCC(O)C=CC1(C(C(O)CC1=O)CC=CCCCC(O)=O)
                     InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12
5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O
          CCCCCC(O)C=CC1(C(C(O)CC1O)CC=CCCCC(O)=O)
                     InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12
5Z13E-15S-91115-TRIHYDROXYPROSTA-
          CCCCCC(=O)C=CC2(C1(CC(OC1CC2O)=CCCCC(O)=O))
                     InChI=1/C20H30O5/c1-2-3-4-7-14(21)10-11-16-17-12-15(8-5-6-9-20(23)24)25-19(17)13-18(16)22/h8,1
5Z13E-69-ALPHA-EPOXY-11-ALPHA-HYDROXPROS
          CCCCCC(=O)C=CC1(C(C(O)CC1=O)CC=CCCCC(O)=O)
                     InChI=1/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12
5Z13E-9-ALPHA-HYDROXY-1115-DIOXOPROS
           C(=O)(O)CCCC=CC=CC=CCCCC=CCC=CCC
                      InChI=1/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,11-16H,2,5
5Z7E9E14Z17Z-EICOSAPENTAENOATE
           CCCCCC=CCC(OO)C=CC=CCC=CCCCC(O)=O
                      InChI=1/C20H32O4/c1-2-3-4-5-10-13-16-19(24-23)17-14-11-8-6-7-9-12-15-18-20(21)22/h7-11,13-14,1
5Z8Z10E14Z-12S-12-HYDROPEROXYICOS
           CCCCCC(OO)C=CC=CCC=CCC=CCCCC(O)=O
                      InChI=1/C20H32O4/c1-2-3-13-16-19(24-23)17-14-11-9-7-5-4-6-8-10-12-15-18-20(21)22/h4-5,8-11,14,
5Z8Z11Z13E-15S-15-HYDROPEROXYICOS
           C(O)(=O)CCCC=CCC=CCC=CCC=CCC=CCC
                      InChI=1/C20H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10,12-13
5Z8Z11Z14Z17Z-EICOSAPENTAENOATE
           CCCCCC=CCC=CC=CC(OO)CC=CCCCC(O)=O
                      InChI=1/C20H32O4/c1-2-3-4-5-6-7-8-9-10-13-16-19(24-23)17-14-11-12-15-18-20(21)22/h6-7,9-11,13-
5Z9E11Z14Z-8R-8-HYDROPEROXYICOSA-TETRAEN
           C2(C(=Nc1(c(=O)nc(N)nc1N2))C(O)C(O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O)
                      InChI=1/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)2
6-1S2R-12-DIHYDROXY-3-TRIPHOSPHOOXY
           C(O)C1(OC(C(N)C(O)C1O)OC2(C(O)C(O)C(O)C3(C2OP(O)(O3)=O)))
                      InChI=1/C12H22NO12P/c13-3-5(16)4(15)2(1-14)22-12(3)23-9-7(18)6(17)8(19)10-11(9)25-26(20,21)24
6-A-D-GLUCOSAMINYL-1D-MYO-INOSITOL-12
           C(O)C1(OC(C(N)C(O)C1O)OC2(C(O)C(O)C(O)C(O)C2O))
                      InChI=1/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14
6-ALPHA-D-GLUCOSAMINYL-1D-MYO-INOSIT
           [CH]12(N(C(=O)[CH](N)1)C(C(=O)O)C(C)(C)S2)
6-AMINOPENICILLANATE  InChI=1/C8H12N2O3S/c1-8(2)4(7(12)13)10-5(11)3(9)6(10)14-8/h3-4,6H,9H2,1-2H3,(H,12,13)
           C1(OC(CO)C(O)C(O)1)N2(C(=O)NC(=O)C=N2)
6-AZAURIDINE          InChI=1/C8H11N3O6/c12-2-3-5(14)6(15)7(17-3)11-8(16)10-4(13)1-9-11/h1,3,5-7,12,14-15H,2H2,(H,10
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCCCC(O)=O)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n2(c3(c(n
                      InChI=1/C28H44N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)
6-CARBOXYHEX-2-ENOYL-COA
6-CHQ                 InChI=1/C6H5ClO3/c7-4-1-3(8)2-5(9)6(4)10/h1-2,8-10H
           C1(C(Cl)=C(O)C(O)=CC=1O)
           [CH]1(O[CH]2([CH]([CH]=1)c3(c4(c(c([OH])[cH]c(O2)3)c(=O)c5(c(o4)[cH][cH][cH]c([OH])5)))))
                      InChI=1/C17H10O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-
6-DEMETHYLSTERIGMATOCYSTIN
           C(=[N+1]=[N-1])C(=O)CCC(N)C(=O)O
                      InChI=1/C6H9N3O3/c7-5(6(11)12)2-1-4(10)3-9-8/h3,5H,1-2,7H2,(H,11,12)
6-DIAZO-5-OXO-L-NORLEUCINE
           CC(C(O)C(=O)NCCC(=O)NCCSC(=O)CC=CCCO)(C)COP(O)(=O)OP(O)(=O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(=O)O)n2
                      InChI=1/C27H44N7O18P3S/c1-27(2,22(39)25(40)30-8-7-17(36)29-9-11-56-18(37)6-4-3-5-10-35)13-49-
6-HYDROXY-3-HEXENOYL-COA
           c1(O)(ncc(cc1)C(=O)O)
6-HYDROXY-NICOTINATE  InChI=1/C6H5NO3/c8-5-2-1-4(3-7-5)6(9)10/h1-3H,(H,7,8)(H,9,10)
           C3(n1(c2(c(nc1)c(N)ncn2)))(OC(C(C(O)3)OP(=O)(O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=
                      InChI=1/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)
6-HYDROXYCYCLOHEX-1-ENE-1-CARBONYL-COA
           [CH]1([CH2][CH2][CH2][CH2]C(=O)O1)([OH])
6-HYDROXYHEXAN-6-OLIDEInChI=1/C6H10O3/c7-5-3-1-2-4-6(8)9-5/h5,7H,1-4H2
           [CH3][CH]2(OC(=O)c1(c([OH])[cH]c([OH])[cH]c1[CH2]2))
6-HYDROXYMELLEIN InChI=1/C10H10O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h3-5,11-12H,2H2,1H3
           [CH2]3(N([CH3])[CH]([OH])[CH2]c1(c([cH]c2(c([cH]1)O[CH2]O2))C(=O)[CH2]c4(c3c5(c([cH][cH]4)O[CH2]O5))))
6-HYDROXYPROTOPINEInChI=1/C20H19NO6/c1-21-8-14-11(2-3-16-20(14)27-10-24-16)4-15(22)13-7-18-17(25-9-26-18)5-12(1
                      InChI=1/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(5-22)15(29)11(25)8(33-18)3-30-17(4-2
6-KESTOSE C(O)C1(OC(C(O)C(O)1)COC2(C(O)C(O)C(O2)CO)(CO))(OC3(C(O)C(O)C(O)C(O3)CO))
           CC(O)C(=O)C1(Nc2(c(NC1)nc(N)nc2=O))
                      InChI=1/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,12,15H,2H2,1H3,(H4,10,1
6-LACTOYL-5678-TETRAHYDROPTERIN
           C[CH]1(OC(=O)c2(c(C1)cc(OC)cc2O))
6-METHOXYMELLEIN InChI=1/C11H12O4/c1-6-3-7-4-8(14-2)5-9(12)10(7)11(13)15-6/h4-6,12H,3H2,1-2H3
           Cc1(cc2(c(cc1)cc[nH]2))
6-METHYL-INDOLE       InChI=1/C9H9N/c1-7-2-3-8-4-5-10-9(8)6-7/h2-6,10H,1H3
           C(C1(C(O)C(O)C(O)C(O1)O))OC2(C(O)C(O)C(O)C(O2)O)
                      InChI=1/C11H20O11/c12-3-2(21-9(18)6(15)4(3)13)1-20-11-8(17)5(14)7(16)10(19)22-11/h2-19H,1H2
6-O-BETA-D-XYLOPYRANOSYL
           [CH2]1([NH][CH](c2(c([CH2]1)[cH]c(O[CH3])c([OH])[cH]2))[CH2]c3([cH]c([OH])c([OH])[cH][cH]3))
                      InChI=1/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9
6-O-METHYLNORLAUDANOSOLINE
           C(=O)CCCCC(O)=O
6-OXO-HEXANOATE InChI=1/C6H10O3/c7-5-3-1-2-4-6(8)9/h5H,1-4H2,(H,8,9)
           C(C1(OC(C(O)C1OP(O)(O)=O)n2(c3(c(nc2)c(N)ncn3))))OP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O
                      InChI=1/C28H42N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)
6-OXOCYCLOHEX-1-ENE-1-CARBONYL-COA
           CC(=O)C(=O)C1(Nc2(c(NC1)nc(N)nc2=O))
                      InChI=1/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h4,12H,2H2,1H3,(H4,10,11,13,
6-PYRUVOYL-5678-TETRAHYDROPTERIN
           CC(O)SCS InChI=1/C3H8OS2/c1-3(4)6-2-5/h3-5H,2H2,1H3
6-S-ACETYL-DIHYDROLIPOATE
           CCC([Se])CCCCC(O)=O
6-SELENO-OCTANOATEInChI=1/C8H16O2Se/c1-2-7(11)5-3-4-6-8(9)10/h7,11H,2-6H2,1H3,(H,9,10)
           CCC(S)CCCCC(O)=O
6-THIO-OCTANOATE InChI=1/C8H16O2S/c1-2-7(11)5-3-4-6-8(9)10/h7,11H,2-6H2,1H3,(H,9,10)
           C1(=NC=NC2(C1=NCCN=2))
67-DIHYDROPTERIDINEInChI=1/C6H6N4/c1-2-9-6-5(8-1)3-7-4-10-6/h3-4H,1-2H2
           C1(C4([CH](c2(c(O1)cc(O)cc2))Oc3(cc(O)ccc34))(O))
                      InChI=1/C15H12O5/c16-8-1-3-10-12(5-8)19-7-15(18)11-4-2-9(17)6-13(11)20-14(10)15/h1-6,14,16-18H
6AS11AS-36A9-TRIHYDROXYPTEROCARPAN
           C(O)(=O)CCCC(OO)C=CC=CCC=CCC=CCCCCC
                      InChI=1/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19(24-23)17-15-18-20(21)22/h6-7,9-10,12-
6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6
           C(O)C1(OC(C(O)C(O)1)(CO)OC2(OC(C(O)C(O)C2O)COC3(CO)(OC(CO)C(O)C(O)3)))
6G-KESTOTETRAOSE InChI=1/C18H32O16/c19-1-6-10(24)14(28)17(4-21,32-6)30-3-8-9(23)12(26)13(27)16(31-8)34-18(5-22)
           C(O)C1(C(C(O)C(O)C(O1)O)OC2(OC(C(O)C(O)C2O)COP(O)(O)=O))
6P-GLUCOSIDE-GLUCOSE  InChI=1/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21
           C=C(O)C(=O)OC1(C(O)C(OP(=O)(O)C)C=C(C1F)C(O)=O)
6R-6-FLUORO-EPSP InChI=1/C11H14FO9P/c1-4(13)11(17)20-9-7(12)5(10(15)16)3-6(8(9)14)21-22(2,18)19/h3,6-9,13-14H,1
           C=C(O)C(=O)OC1(C(O)C(OP(=O)(O)C)C=C(C1F)C(O)=O)
6S-6-FLUORO-EPSP      InChI=1/C11H14FO9P/c1-4(13)11(17)20-9-7(12)5(10(15)16)3-6(8(9)14)21-22(2,18)19/h3,6-9,13-14H,1
           C(O)(=O)CCCC(O)C=CC=CC=CC(O)CC=CCCCCC
                      InChI=1/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,1
6Z8E10E14Z-5S12R-512-DIHYDROXYI
           C(Nc1(ccc(C(O)=O)cc1))C2(=Nc3(c(NC2)nc(N)[nH]c3=O))
7,8-dihydropteroate InChI=1/C14H14N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,
           CC(=O)OCC1(=C(C(O)=O)N2([CH](SC1)C(C2=O)NC(=O)CCCC(=O)C(O)=O))
                      InChI=1/C16H18N2O9S/c1-7(19)27-5-8-6-28-14-11(13(22)18(14)12(8)16(25)26)17-10(21)4-2-3-9(20)1
7-5-CARBOXYL-5-OXOPENTANYL-AMINOCEPHAL
           CC(CO)CCCC(C)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2)C4(C)(C(=CC3O)CC(O)CC4))))
                      InChI=1/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-1
7-ALPHA27-DIHYDROXYCHOLESTEROL
           C1(=C(CN)C2(=C([NH]1)N=C(N)[NH]C2=O))
                      InChI=1/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)
7-AMINOMETHYL-7-DEAZAGUANINE
           C(#N)c1(c2(c(nc1)nc(N)nc2=O))
7-CYANO-7-DEAZAGUANINEInChI=1/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
           CC2([CH]1(C(OC=C(C(O)=O)[CH]1CC2)OC3(C(O)C(O)C(O)C(O3)CO)))
7-DEOXYLOGANATE InChI=1/C16H24O9/c1-6-2-3-7-8(14(21)22)5-23-15(10(6)7)25-16-13(20)12(19)11(18)9(4-17)24-16/h5-
           CC2([CH]1(C(OC=C([CH]1CC2)C(=O)OC)OC3(C(O)C(O)C(O)C(O3)CO)))
7-DEOXYLOGANIN        InChI=1/C17H26O9/c1-7-3-4-8-9(15(22)23-2)6-24-16(11(7)8)26-17-14(21)13(20)12(19)10(5-18)25-17/
           C([O-1])(=O)CC1(c2(c([NH]C(=O)1)c(O)ccc2))
                      InChI=1/C10H9NO4/c12-7-3-1-2-5-6(4-8(13)14)10(15)11-9(5)7/h1-3,6,12H,4H2,(H,11,15)(H,13,14)/p-1
7-HYDROXY-2-OXINDOLE-3-ACETIC-ACID
           C1(C(CC([O-1])=O)c2(c([NH]1)c(ccc2)OC3(C(O)C(O)C(O)C(O3)CO)))(=O)
                      InChI=1/C16H19NO9/c18-5-9-12(21)13(22)14(23)16(26-9)25-8-3-1-2-6-7(4-10(19)20)15(24)17-11(6)8/
7-HYDROXY-2-OXINDOLE-3-ACETIC-ACID-GLUCO
           CC(C)CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n2(c3(c
                      InChI=1/C30H50N7O18P3S/c1-17(2)6-5-7-18(38)12-21(40)59-11-10-32-20(39)8-9-33-28(43)25(42)30(
7-METHYL-3-OXOOCTANOYL-COA
           C(OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c([n+1](c2)C)c(=O)nc(n3)N)))
                      InChI=1/C11H16N5O8P/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(24-10)2-23-25(20,21)2
7-METHYLGUANOSINE-5-PHOSPHATE
           c12([nH]c(=O)[nH]c(=O)c(n(C)cn1)2)
7-METHYLXANTHINE InChI=1/C6H10N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h3-4,7H,2H2,1H3,(H2,8,9,11,12)
           C(O)[CH]1(O[CH]([CH](O)[CH](O)1)n2(c3(c(n(c2)C)c(=O)[nH]c([nH]3)=O)))
7-METHYLXANTHOSINEInChI=1/C11H18N4O6/c1-14-3-15(8-5(14)9(19)13-11(20)12-8)10-7(18)6(17)4(2-16)21-10/h4-8,10,16-1
           CC(=O)O[CH]1(C(OC)=CC24(C(=C1)[CH](N(C)CC2)Cc3(ccc(OC)c(O)c34)))
                      InChI=1/C21H25NO5/c1-12(23)27-17-10-14-15-9-13-5-6-16(25-3)20(24)19(13)21(14,7-8-22(15)2)11-1
7-O-ACETYLSALUTARIDINOL
           C(O)C1(OC(C(C(O)C1O)OC2(C(O)C(O)(CO2)CO))Oc4(cc3(oc(cc(=O)c3c(c4)O)c5(ccc(O)cc5))))
                      InChI=1/C26H28O14/c27-8-18-20(32)21(33)22(40-25-23(34)26(35,9-28)10-36-25)24(39-18)37-13-5-14
7-O-BETA-D-APIOFURANOSYL-12-BETA-D-GLU
           CC(C)=CCc1(c(OC)cc2(c(c1O)c(=O)c(co2)c3(c(O)cc(O)cc3)))
7-O-METHYLLUTEONE InChI=1/C21H20O6/c1-11(2)4-6-14-17(26-3)9-18-19(20(14)24)21(25)15(10-27-18)13-7-5-12(22)8-16(1
           C(O)C1(OC(C(C(O)C(O)1)OC2(C(O)C(O)C(O)C(C)O2))c3(c4(c(c(O)cc3OC)c(=O)cc(o4)c5(ccc(O)cc5))))
                      InChI=1/C28H32O14/c1-10-20(33)22(35)24(37)28(39-10)42-27-23(36)21(34)17(9-29)41-26(27)19-16(3
7-O-METHYLVITEXIN-2-O-B-L-RHAMNOSIDE
           C(O)C(N)C4(OC1(OC2(C(O1)C(OC(C2O)CO)OC3(C(OP(O)(O)=O)C(N)CC(C3O)NC)))(C(O)C(O)C4O))
                      InChI=1/C20H38N3O16P/c1-23-7-2-5(21)14(39-40(31,32)33)15(9(7)26)35-19-17-16(10(27)8(4-25)34-1
7-O-PHOSPHOHYGROMYCIN-B
           C1(C=CC2(=C(O1)C(O)=C(O)C=C2))(=O)
78-DIHYDROXYCOUMARIN  InChI=1/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
           CCCCCC=CCC=CC=CC=CC(SCC(N)C(O)=O)C(O)CCCC(O)=O
                      InChI=1/C23H37NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-19(24)23(28)29)20(25)15-14-17-2
7E9E11Z14Z-5S6R-6-CYSTEIN-S-YL
           CC(N)C(=O)CCCCCC(=O)O
8-AMINO-7-OXONONANOATEInChI=1/C9H17NO3/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7H,2-6,10H2,1H3,(H,12,13)
           CC(=CC=CC=C(C)C=CC=C(C)CO)C=CC=C(C)C=CC1(C(C)(C)CCCC=1C)
8-APO-BETA-CAROTENOL  InChI=1/C30H42O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22
           C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)[CH]1(O[CH]([CH2][CH]1O)n2(c3(c(nc2O)c(=O)[nH]c(n3)N)))
                      InChI=1/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-3
8-HYDROXYDEOXYGUANOSINE-5-TRIPHOSPHAT
           C3(=O)(OC2(=C(OC)C1(=C(C=CO1)C=C2C=C3)))
                      InChI=1/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
8-METHOXYFURANOCOUMARIN
           [CH2]([OH])[CH]1(O[CH]([CH]([OH])[CH]([OH])1)n2(c3(c(n[cH]2)[CH2]C(=O)[NH][CH]=N3)))
8-OXOCOFORMYCIN InChI=1/C11H14N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-5-1-7(17)12-3-13-10(5)15/h3-4,6,8-9,11,16
           C([Se])CCCCCCC(O)=O
8-SELENO-OCTANOATEInChI=1/C8H16O2Se/c9-8(10)6-4-2-1-3-5-7-11/h11H,1-7H2,(H,9,10)
           C(S)CCCCCCC(O)=O
8-THIO-OCTANOATE InChI=1/C8H16O2S/c9-8(10)6-4-2-1-3-5-7-11/h11H,1-7H2,(H,9,10)
           C(O)CCCCCC(O)CCCCCCCCC(O)=O
                      InChI=1/C16H32O4/c17-14-10-6-5-8-12-15(18)11-7-3-1-2-4-9-13-16(19)20/h15,17-18H,1-14H2,(H,19,
9--OR-1016-DIHYDROXYPALMITATE
           CCCCCCC=CC=CCCCCCCCC(=O)O
                      InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(
9-CIS11-TRANS-OCTADECADIENOATE
           C(O)(=O)CCCCCCCC=CCC=CCCCCC
                      InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,
9-CIS12-CIS-OCTADECADIENOATE
           [CH]1(C(=O)[CH]([OH])[CH](O1)[CH2][OH])N2([CH]3(C(N=[CH]2)=C([NH2])[NH][CH]=N3))
9-RIBURONOSYLADENINE  InChI=1/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6,9-10,16-17H
           C(O)CCCCCCCC1(C(O1)CCCCCCCC(O)=O)
                      InChI=1/C18H34O4/c19-15-11-7-2-1-4-8-12-16-17(22-16)13-9-5-3-6-10-14-18(20)21/h16-17,19H,1-15
910-EPOXY-18-HYDROXYSTEARATE
           C(O)(=O)CCCCCCCC(O)C(O)CCCCCCCCO
                      InChI=1/C18H36O5/c19-15-11-7-2-1-4-8-12-16(20)17(21)13-9-5-3-6-10-14-18(22)23/h16-17,19-21H,1
91018-TRIHYDROXYSTEARATE
           CC(=O)[CH]1(C2(C)([CH](CC1)[CH]4(C3(OC(C2)3)C5(C)(C(CC4)=CC(=O)CC5))))
                      InChI=1/C21H28O3/c1-12(22)15-6-7-16-17-5-4-13-10-14(23)8-9-20(13,3)21(17)18(24-21)11-19(15,16)
911-ALPHA-EPOXYPREGN-4-ENE-320-DIONE
9FLUORENOL            InChI=1/C13H10O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13-14H
           c12(c(cccc1)C(O)c3(c2cccc3))
9FLUORENONE           InChI=1/C13H8O/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8H
           c1(ccc2(C(=O)c3(c(c(c1)2)cccc3)))
           C1([CH2][CH2][NH]C(=O)[NH]1)(=O)
                      InChI=1/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
A-24-DIOXOTETRAHYDROPYRIMIDINE
           [CH]1(O[CH]([CH]([OH])[CH]([OH])1)[CH2]OP([OH])(=O)[OH])N2(C(=O)[NH]C(=O)[CH2][CH2]2)
                      InChI=1/C9H15N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h4,6-8,13-14H,1-
A-24-DIOXOTETRAHYDROPYRIMIDINE-D-RIBONU
           CC(=O)C1(=Nc2(c(NCC1)nc(N)nc2=O))
A-PYRIMIDODIAZEPINEInChI=1/C9H11N5O2/c1-4(15)5-2-3-11-7-6(12-5)8(16)14-9(10)13-7/h2-3H2,1H3,(H4,10,11,13,14,16)
           C3(C1(=C2(C(=CC=C1)C=CC=C2C(=O)3)))(=O)
ACENAPHTHENEQUINONE   InChI=1/C12H6O2/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6H
ACET                  InChI=1/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
           C([O-1])(=O)C
ACETALD [CH](C)=O InChI=1/C2H4O/c1-2-3/h2H,1H3
ACETAMIDE  C(=O)(N)C InChI=1/C2H5NO/c1-2(3)4/h1H3,(H2,3,4)
           CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(
ACETOACETYL-COA       InChI=1/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44
ACETOIN CC(=O)C(O)C   InChI=1/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
ACETOL     CC(=O)CO InChI=1/C3H6O2/c1-3(5)2-4/h4H,2H2,1H3
ACETONE CC(C)=O InChI=1/C3H6O/c1-3(2)4/h1-2H3
           CC(C)=NO InChI=1/C3H7NO/c1-3(2)4-5/h5H,1-2H3
ACETONE-OXIME
ACETYL-COA            InChI=1/C23H38N7O17P3S/c1-12(31)51-7-6-25-14(32)4-5-26-21(35)18(34)23(2,3)9-44-50(41,42)47-49
           [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(
           CC(=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1(C(NC(C)=O)C(O)C(O)C(O1)CO))CCC=C(C)CCC=C(C)CCC=C(C)CCC
                      InChI=1/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-
ACETYL-D-GLUCOSAMINYLDIPHOSPHO-UNDECAPRE
           CC(=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1(OC(CO)C(C(O)C1NC(C)=O)OC2(C(NC(C)=O)C(O)C(O)C(O2)CO)))
                      InChI=1/C71H118N2O17P2/c1-49(2)25-15-26-50(3)27-16-28-51(4)29-17-30-52(5)31-18-32-53(6)33-19
ACETYL-ETCETERA-GLUCOSAMINYLDIPHOSPHOUND
           CC(=O)NC1(C(OC(CO)C(O)C1O)NC(=O)CC(N)C(O)=O)
                      InChI=1/C12H21N3O8/c1-4(17)14-8-10(20)9(19)6(3-16)23-11(8)15-7(18)2-5(13)12(21)22/h5-6,8-11,16
ACETYL-ETCETERA-L-ASPARAGINE
ACETYL-GLU            InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
           CC(=O)NC(C(O)=O)CCC(O)=O
                      InChI=1/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)
ACETYL-P CC(=O)OP(=O)(O)O
          CC(=O)OCC(C[N+1](C)(C)C)CC(O)=O
ACETYLCARNITINE       InChI=1/C10H19NO4/c1-8(12)15-7-9(5-10(13)14)6-11(2,3)4/h9H,5-7H2,1-4H3/p+1
          C([N+1](C)(C)C)COC(=O)C
ACETYLCHOLINE         InChI=1/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
ACETYLENE[CH]#[CH] InChI=1/C2H2/c1-2/h1-2H
          C1(OC(CO)C(O)C(O)C(O)1)OC2(C(CO)OC(OC(=O)C)C(O)C(O)2)
ACETYLMALTOSE         InChI=1/C14H24O12/c1-4(17)23-13-11(22)9(20)12(6(3-16)25-13)26-14-10(21)8(19)7(18)5(2-15)24-14
          [CH]1([CH](NC(=O)C)[CH]([CH](O)[CH](O1)CO)OC(C)C(=O)NC(C)C(=O)NC(C(=O)N)CCC(=O)O)(O)
                      InChI=1/C19H32N4O11/c1-7(17(30)23-10(16(20)29)4-5-12(26)27)21-18(31)8(2)33-15-13(22-9(3)25)19
ACETYLMURAMYL-ALANYL-ISOGLUTAMINE
          C([CH](N)C(O)=O)OC(C)=O
ACETYLSERINE          InChI=1/C5H9NO4/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)
ACETYL_AMP            InChI=1/C12H16N5O8P/c1-5(18)25-26(21,22)23-2-6-8(19)9(20)12(24-6)17-4-16-7-10(13)14-3-15-11(7
          CC(=O)OP(=O)(O)OCC1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3)))
          C(F)(F)(F)c1(ccc(c(Cl)c1)Oc2(cc(C(O)=O)c(cc2)[N+1]([O-1])=O))
ACIFLUORFEN           InChI=1/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6
ACROLEIN C(=O)C=C InChI=1/C3H4O/c1-2-3-4/h2-3H,1H2
ACRYLAMIDE            I
          C(=O)(N)C=CnChI=1/C3H5NO/c1-2-3(4)5/h2H,1H2,(H2,4,5)
ACRYLATE C(O)(=O)C=C  InChI=1/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
          C(#N)C=C InChI=1/C3H3N/c1-2-3-4/h2H,1H2
ACRYLONITRILE
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
ACRYLYL-COA           InChI=1/C24H38N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48
          CC(C)[CH]1(NC(=O)C(C(C)OC(=O)C(C(C)C)N(C)C(=O)CN(C)C(=O)[CH]2(N(C(=O)1)CCC2))NC(=O)C3(C4(C(=C(C)C(=O)C
ACTINOMYCIN           InChI=1/C62H86N12O16/c1-27(2)42-59(84)73-23-17-19-36(73)57(82)69(13)25-38(75)71(15)48(29(5)6
          CC1(=C4(C(C(=C(N)C(=O)1)C(=O)NC(C(C)O)C(=O)N[CH](C(C)C)C(O)N2([CH](CCC2)C(O)N(C)CC(O)N(C)C(C(C)C)C(O)O
                      InChI=1/C62H96N12O17/c1-27(2)42(59(85)73-23-17-19-36(73)57(83)69(13)25-38(76)71(15)48(29(5)6
ACTINOMYCINIC-MONOLACTONE
                      InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
ADENINE c1(ncnc2(c1N=CN2))(N)
          c12(c(ncn1)c(N)ncn2)
ADENINE-RING          InChI=1/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
                      InChI=1/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H
ADENOSINEC1(C(O)C(O)C(O1)CO)n2(c3(c(nc2)c(N)ncn3))
          c12(c(c(N)ncn1)ncn2C3(OC(C(N)=O)C(O)C(O)3))
                      InChI=1/C10H12N6O4/c11-7-3-9(14-1-13-7)16(2-15-3)10-5(18)4(17)6(20-10)8(12)19/h1-2,4-6,10,17-1
ADENOSINE-5-CARBOXAMIDE
          C(C1(OC(C(O)C1O)N2(c3(c(N=C2)c(N)ncn3))))OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4(OC(C(O)C4O)n5(c6(c(nc5)c(N)n
                      InChI=1/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36
ADENOSINE5TRIPHOSPHO5ADENOSINE
          C(OP(O)(=O)OP(=O)(O)OC1(OC(CO)C(O)C(O)1))C2(OC(C(O)C(O)2)n3(c4(c(nc3)c(N)ncn4)))
                      InChI=1/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(24)9(23)6(31-14)2-30-35(26,27)3
ADENOSINE_DIPHOSPHATE_RIBOSE
          C(CC(N)C(O)=O)SC[CH]1(O[CH]([CH](O)[CH]1O)N2(c3(c(N=C2)c(N)ncn3)))
ADENOSYL-HOMO-CYS InChI=1/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8
          c1(c2(c(ncn1)n(cn2)C3(OC(C(O)C(O)3)COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)OCC4(OC(C(O)C(O)4)n5(c6(c(nc5
ADENOSYL-P4           InChI=1/C20H28N10O19P4/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(45-19)1-43-50(35,36
          CC8(CC(N)=O)(C(CCC(N)=O)C1(N7([Co+1]4611(N2(C(C(C(C)(C)C(C=1)=2)CCC(N)=O)=C(C)C3(C(C)(C(CC(N)=O)[CH](N
ADENOSYLCOBALAMINInChI=1/C62H89N13O14P.C10H11N5O3.Co/c1-29-21-39-51-50(31(29)3)74(39)28-75(51)57-52(84)53(4
          CC5(=C1(C15(C(CC(N)=O)[CH]3(N1[Co+1]78(N2(=C(C(CCC(N)=O)C(C2(C)3)(C)CC(N)=O)C(C)=C4(N(=C(C(CCC(N)=O)C
ADENOSYLCOBALAMIN-5-P InChI=1/C72H102N18O20P2.Co/c1-32-19-47-71(23-33(32)2)72-62(100)59-45(29-106-111(101,102)10
          CC3(C6(N2([Co+1]58(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C7(N([CH](C4(C(CC(N)=O)(C)C(C(=N45)
ADENOSYLCOBINAMIDE    InChI=1/C48H73N11O8.C10H12N5O3.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)4
          CC4(C11(=[N+1]10([Co+1]68(CC1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3))))(N5(C=4C(C)(C(CC(=O)N)[CH]5C7(C)([N+1]6
ADENOSYLCOBINAMIDE-GDPInChI=1/C68H99N21O21P2.Co/c1-29-25-87-32(4)107-59(86-28-80-46-55(75)78-27-79-56(46)86)50(99
          CC3(C8(N2([Co+1]57(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C4(C(C)(CCC(=O)NC[CH](C)OP([O-1])(=
ADENOSYLCOBINAMIDE-P  InChI=1/C48H74N11O11P.C10H12N5O3.Co/c1-23(70-71(67,68)69)22-55-38(66)16-17-45(6)29(18-35(5
          C(OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(ncn3)N[CH](C(O)=O)CC(O)=O)))
ADENYLOSUCC           InChI=1/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30
                      InChI=1/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
ADIPATE C(O)(=O)CCCCC(O)=O
ADP                   InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(
          C(OP(O)(=O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
          C1(C(O)C(O)C(O)C(O1)CO)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(cnc4(c3c(N)ncn4)))
ADP-D-GLUCOSE         InChI=1/C16H25N5O15P2/c17-13-7-14(19-3-18-13)20-4-21(7)15-11(26)9(24)6(33-15)2-32-37(28,29)3
          c1(c2(c(ncn1)N(C=N2)C3(OC(C(O)C(O)3)COP(O)(=O)OP(=O)(O)OC4(OC(C(O)CO)C(O)C(O)C(O)4))))(N)
                      InChI=1/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)3
ADP-D-GLYCERO-D-MANNO-HEPTOSE
ADP-GROUP             InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(
          C(OP(O)(=O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
          c1(c2(c(ncn1)N(C=N2)C3(OC(C(O)C(O)3)COP(O)(=O)OP(=O)(O)OC4(OC(C(O)CO)C(O)C(O)C(O)4))))(N)
                      InChI=1/C17H27N5O16P2/c18-14-7-15(20-3-19-14)22(4-21-7)16-11(28)8(25)6(35-16)2-34-39(30,31)3
ADP-L-GLYCERO-D-MANNO-HEPTOSE
          C           InChI=1/C22H36N4O13/c1-13(27)25(38)9-5-3-7-15(19(31)32)23-17(29)11-22(37,21(35)36)12-18(30)2
AEROBACTIN(O)(=O)C(CCCCN(O)C(=O)C)NC(=O)CC(C(O)=O)(O)CC(=O)NC(C(O)=O)CCCCN(O)C(=O)C
                      InChI=1/C12H17N3O4/c13-10(12(18)19)5-6-11(17)15-14-9-3-1-8(7-16)2-4-9/h1-4,10,14,16H,5-7,13H2
AGARITINE C(O)c1(ccc(cc1)NNC(=O)CC[CH](N)C(O)=O)
          C           InChI=1/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
AGMATHINE (NC(N)=N)CCCN
AGNO3     O=N([O-1])=OInChI=1/NO3/c2-1(3)4/q-1
AICAR                 InChI=1/C9H15N4O8P/c10-7-4(8(11)16)12-2-13(7)9-6(15)5(14)3(21-9)1-20-22(17,18)19/h2-3,5-6,9,14
          C(OP(=O)(O)O)[CH]1(O[CH]([CH](O)[CH](O)1)n2(c(N)c(C(=O)N)nc2))
                      InChI=1/C5H10N2O3/c1-3(6)5(10)7-2-4(8)9/h3H,2,6H2,1H3,(H,7,10)(H,8,9)
ALA-GLY CC(N)C(=O)NCC(=O)O
          CC(C(=O)NCC(=O)O)NC(=O)CNC(=O)C(C)N
ALA-GLY-ALA-GLY       InChI=1/C10H18N4O5/c1-5(11)9(18)12-3-7(15)14-6(2)10(19)13-4-8(16)17/h5-6H,3-4,11H2,1-2H3,(H,1
          C(CC)SC2(C=C1(NC(NC(=O)OC)=NC1=CC=2))
ALBENDAZOLE           InChI=1/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2
          CCCS(=O)c2(cc1(nc(nc1cc2)NC(=O)OC))
ALBENDAZOLE-S-OXIDEInChI=1/C12H15N3O3S/c1-3-6-19(17)8-4-5-9-10(7-8)14-11(13-9)15-12(16)18-2/h4-5,7H,3,6H2,1-2H3,
          CC12(C3(C(CCC(=CC(=O)CC1)2)C4(C(C=O)(CC3O)C(CC4)C(=O)CO)))
ALDOSTERONE           InChI=1/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(1
          C(O)(P(O)(O)=O)(P(O)(O)=O)CCCN
ALENDRONATE           InChI=1/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)
                      InChI=1/C14H8O4/c15-10-6-5-9-11(14(10)18)13(17)8-4-2-1-3-7(8)12(9)16/h1-6,15,18H
ALIZARIN C2(C1(=C(C=CC(O)=C1O)C(=O)C3(=C2C=CC=C3)))(=O)
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(O)(O)=O
                     InChI=1/C35H60O7P2/c1-29(2)15-9-16-30(3)17-10-18-31(4)19-11-20-32(5)21-12-22-33(6)23-13-24-34
ALL-TRANS-HEPTAPRENYL-DIPHOSPHATE
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(O)(O)=O
                     InChI=1/C30H52O7P2/c1-25(2)13-8-14-26(3)15-9-16-27(4)17-10-18-28(5)19-11-20-29(6)21-12-22-30(
ALL-TRANS-HEXAPRENYL-DIPHOSPHATE
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(O)(O)=O
                     InChI=1/C25H44O7P2/c1-21(2)11-7-12-22(3)13-8-14-23(4)15-9-16-24(5)17-10-18-25(6)19-20-31-34(2
ALL-TRANS-PENTAPRENYL-DIPHOSPHATE
ALLANTOATE           InChI=1/C4H8N4O4/c5-3(11)7-1(2(9)10)8-4(6)12/h1H,(H,9,10)(H3,5,7,11)(H3,6,8,12)
          C(C(O)=O)(NC(N)=O)NC(N)=O
                     InChI=1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
ALLANTOINC1(NC(N)=O)(C(=O)NC(N1)=O)
          C(O)(=O)[CH]1(NC[CH](O)C1)
                     InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
ALLO-4-HYDROXY-D-PROLINE
                     InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
ALLO-THR CC(O)C(N)C(=O)O
          C2(C1(=C(C=CC(OC)=C1OC)CC(=O)C3(C(CCN2C)=CC4(=C(C=3)OCO4))))
ALLOCRYPTOPINE       InChI=1/C21H23NO5/c1-22-7-6-14-9-19-20(27-12-26-19)10-15(14)17(23)8-13-4-5-18(24-2)21(25-3)16
          C1(OC(CO)C(O)C(O)C(O)1)OCC2(C(O)C(O)C(O)C(O)O2)
ALLOLACTOSE          InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H
ALLOSE               InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
          [CH]1([CH](O)[CH](O)[CH](O)[CH](O1)CO)(O)
          C(O)C=C InChI=1/C3H6O/c1-2-3-4/h2,4H,1,3H2
ALLYL-ALCOHOL
                     InChI=1/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)
ALLYSINE C(=O)(O)C(N)CCCC=O
          C(=O)(O)C(=O)c1(c(N)cccc1)
                     InChI=1/C8H7NO3/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H,9H2,(H,11,12)
ALPHA-AMINOPHENYL-GLYOXYLATE
          CC14(C(O)CC[CH]([CH]2([CH](CC1)C3(C)([CH](CC2)CC(O)CC3)))4)
                     InChI=1/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20
ALPHA-ANDROSTAN-3BETA17BETA-DIOL
          CC2([CH]3([CH]([CH]1(C(=O)C(=C(O)C)C(=O)N12))c4(cnc5(cccc(C3)c45))))(C)
ALPHA-CYCLOPIAZONATE InChI=1/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)1
          C2(C1(OC(CO)C(O)C(O)1)OCC3(O2)(OC(CO)C(O)C(O)3))
                     InChI=1/C12H20O10/c13-1-5-7(15)9(17)11(21-5)3-20-12(4-19-11)10(18)8(16)6(2-14)22-12/h5-10,13-1
ALPHA-D-FRUCTOFURANOSE-BETA-D-FRUCTO
          C(O)C1(OC(OP(O)(O)=O)C(O)C(O)C1O)
                     InChI=1/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)
ALPHA-D-GALACTOPYRANOSE-1-PHOSPHATE
          C(O)C1(C(O)C(O)C(O)C(O1)O)
ALPHA-D-GALACTOSE InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
          CC(=O)NC1(C(O)C(C(CO)OC1O)OC2(C(O)C(C(O)C(O2)CO)OC3(C(O)C(O)C(O)C(O3)CO)))
                     InChI=1/C20H35NO16/c1-5(25)21-9-12(28)16(8(4-24)33-18(9)32)36-20-15(31)17(11(27)7(3-23)35-20)
ALPHA-D-GALACTOSYL-13-BETA-D-GALACTOS
          C(O)C1(OC(C(O)C(O)C1O)OC(C(O)=O)COP(O)(O)=O)
                     InChI=1/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H
ALPHA-D-MANNOSYL-3-PHOSPHOGLYCERATE
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
                     InChI=1/C102H170N2O22P2/c1-70(2)35-20-36-71(3)37-21-38-72(4)39-22-40-73(5)41-23-42-74(6)43-2
ALPHA-D-MANNOSYLCHITOBIO
          C(O)C1(C(C(O)C(O)C(O1)O)OC2(OC(C(O)C(O)C2O)COC3(C(O)C(O)C(O)CO3)))
                     InChI=1/C17H30O15/c18-1-5-14(10(23)11(24)15(27)30-5)32-17-13(26)9(22)8(21)6(31-17)3-29-16-12(
ALPHA-D-XYLOSYL-1-6-BETA-D-GLUCOS
          C(OP(O)(O)=O)C1(C(O)C(O)C(O)C(O1)O)
ALPHA-GLC-6-P        InChI=1/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)
          C1(C(O)C(O)C(O)C(O1)CO)(O)
ALPHA-GLUCOSE        InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
          C1(OC(COP(O)(O)=O)C(O)C(O)C(O)1)(OP(O)(O)=O)
                     InChI=1/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,1
ALPHA-GLUCOSE-16-BISPHOSPHATE
          CCCCCC(=O)CCC1(C(C(=O)CC1O)CC=CCCCC(O)=O)
                     InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,16
ALPHA-HYDROXY-915-DIOXOPROSTANOATE
          C1(O)(C(C(O)C(O)C(O1)CO)OC2(C(O)C(O)C(O)C(O2)CO))
ALPHA-KOJIBIOSE      InChI=1/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2
          C(=O)(O)CCC(N)C(=O)OP(O)(O)=O
                     InChI=1/C5H10NO7P/c6-3(1-2-4(7)8)5(9)13-14(10,11)12/h3H,1-2,6H2,(H,7,8)(H2,10,11,12)
ALPHA-L-GLUTAMYL-PHOSPHATE
          C1(OC(CO)C(O)C(O)C(O)1)OC2(C(CO)OC(O)C(O)C(O)2)
ALPHA-MALTOSE        InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2
          CC(C)C(=C)CCC(C)C1(C2(C)(C(=CC1)C3(=C(CC2)C4([CH](CC3)C(C)C(O)CC4)(C))))
                     InChI=1/C29H46O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)1
ALPHA-METHYL-5-ALPHA-ERGOSTA
          C(=O)(O)C(N)(C)Cc1(ccc(O)c(c1)O)
ALPHA-METHYLDOPA InChI=1/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)
          CC(=O)NC1(C(OC(CO)C(O)C1O)OC2(C3(C)(C(CC2)C4(C(CC3)c5(c(CC4)cc(cc5)OC6(C(O)C(O)C(O)C(O6)C(O)=O))))))
                     InChI=1/C32H45NO13/c1-13(35)33-22-24(37)23(36)20(12-34)44-30(22)45-21-8-7-19-18-5-3-14-11-15
ALPHA-N-ACETYL-ETCETERA-ESTRADIOL-GLUCUR
          CC(=O)NC1(C(O)C(C(CO)OC1O)OC2(OC(C(O)C(O)C2O)COC3(OC(C(C(C3)O)NC(=O)C)C(O)C(O)CO)(C(O)=O)))
                     InChI=1/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35
ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA
          CC12(C(O1)CC3(C(C)(C)C2C3))
ALPHA-PINENE-OXIDE InChI=1/C10H16O/c1-9(2)6-4-7(9)10(3)8(5-6)11-10/h6-8H,4-5H2,1-3H3
          Cc1(cc2(c(cc1C)n(cn2)C3(OC(CO)C(O)C(O)3)))
ALPHA-RIBAZOLE       InChI=1/C14H18N2O4/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(19)12(18)11(5-17)20-14/h3-4,6,11-14,17-
          C1(C(O)C(O)C(O1)COP(O)(=O)O)n2(c3(c(nc2)cc(C)c(C)c3))
ALPHA-RIBAZOLE-5-P InChI=1/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3
          CC23(CCC1(C(OC(=O)C1C)C(=C(C)C(=O)C=C2)3))
ALPHA-SANTONIN       InChI=1/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3
          CC2(=C1(OC(CCC1=C(C)C(O)=C2C)(C)CCCC(C)CCCC(C)CCCC(C)C))
ALPHA-TOCOPHEROL InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24
          CCCCCC(O)C=CC1(C(C2(OC(O1)C2))CC=CCCCC(O)=O)
                     InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-20(24-17)25-18)10-7-4-5-8-11-19(22)23/h4,7
ALPHA11-ALPHA-EPOXY-15-HYDROXYTHROMBA
          c1(c(C=C(N)C(O)=O)c2(c([nH]1)cccc2))
                     InChI=1/C11H10N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-6,13H,12H2,(H,14,15)
ALPHABETA-DIDEHYDROTRYPTOPHAN
          C1(OC(CO)C(O)C(O)C(O)1)OC2(OC(CO)C(O)C(O)C(O)2)
ALPHABETA-TREHALOSE  InChI=1/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2
          CCCCCC(O)C=CC1(C(C(=O)CC1O)CCCCCCC(O)=O)
ALPROSTADIL          InChI=1/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13
                     InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2
ALTROSE C(=O)C(O)C(O)C(O)C(O)CO
          C(NC(=N)N)C[CH](O)[CH](C(O)=O)N1(C(=O)CC1)
AMIDINOPROCLAVAMINATEInChI=1/C9H16N4O4/c10-9(11)12-3-1-5(14)7(8(16)17)13-4-2-6(13)15/h5,7,14H,1-4H2,(H,16,17)(H4,10
          C(N)C(C)=OInChI=1/C3H7NO/c1-3(5)2-4/h2,4H2,1H3
AMINO-ACETONE
          Cc1(nc(N)c(cn1)C[n+1]2(c(C)c(CCO)ccc2))
                     InChI=1/C14H19N4O/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15/h3-4,6,8,19H,5,7,9H2,
AMINO-ETC-METHYLPYRIMIDINIUM
          c1(n(CC(N)C(O)=O)cc(O)c(c1)=O)
                     InChI=1/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)
AMINO-ETCETERA-PYRIDIN-1-YL-PROPANOATE
          [C-3]N
AMINO-GROUP          InChI=1/CH5N/c1-2/h2H2,1H3/q-3
          C(O)C1(CNc2(c(N=1)c(O)nc(N)n2))
                     InChI=1/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)
AMINO-HYDROXY-METHYL-DIHYDROPTERIDIN
          C12(=C(C(O)NC(N)=N1)N=C(CN2)C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)
                     InChI=1/C9H18N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)2
AMINO-HYDROXY-OHPROPYL_DIHYDROPTERIDIN
          Cc1(nc(N)c(cn1)COP(O)(O)=O)
                     InChI=1/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)
AMINO-HYDROXYMETHYL-METHYL-PYR-P
          c1(c(c(N)nc(C)n1)COP(O)(=O)OP(O)(=O)O)
                     InChI=1/C6H11N3O7P2/c1-4-8-2-5(6(7)9-4)3-15-18(13,14)16-17(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,
AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP
          c1(c(N)nc[nH]1)
AMINO-IMIDAZOLE InChI=1/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)
          C2(C(CO)=Nc1(c(O)nc(N)nc1N2))
                     InChI=1/C7H9N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h13H,1-2H2,(H4,8,9,11,12,14)
AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE
          C(O)(=O)C(N)C(=O)C
AMINO-OXOBUT         InChI=1/C4H7NO3/c1-2(6)3(5)4(7)8/h3H,5H2,1H3,(H,7,8)
          C(C)OP(OCC)(=S)Oc1(ccc(N)cc1)
AMINO-PARATHION InChI=1/C10H16NO3PS/c1-3-12-15(16,13-4-2)14-10-7-5-9(11)6-8-10/h5-8H,3-4,11H2,1-2H3
          C(O)C(O)C(O)C(O)CNc1(c(N)c(=O)[nH]c([nH]1)=O)
                     InChI=1/C9H16N4O6/c10-5-7(12-9(19)13-8(5)18)11-1-3(15)6(17)4(16)2-14/h3-4,6,14-17H,1-2,10H2,(H
AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE
          C(N)C(O)CC(O)=O
AMINOBUT-CPD         InChI=1/C4H9NO3/c5-2-3(6)1-4(7)8/h3,6H,1-2,5H2,(H,7,8)
          c1(c(O)cc(N)c(c1)O)
AMINOHYDROQUINONE    InChI=1/C6H7NO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H,7H2
          C(=O)(O)C(N)C(O)=O
AMINOMALONATE        InChI=1/C3H5NO4/c4-1(2(5)6)3(7)8/h1H,4H2,(H,5,6)(H,7,8)
AMMONIA [NH3]        InChI=1/H3N/h1H3
AMMONIUM  [NH4+1] InChI=1/H3N/h1H3/p+1
AMP                  InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6
          C(OP(O)(=O)O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
          C          InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6
AMP-GROUP(OP(O)(=O)O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
          CC12(C(CCC(=O)1)C3(C(CC2)C4(C(CC3)=CC(=O)CC4)(C)))
ANDROST4ENE          InChI=1/C19H26O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-16
          [CH3]C14([CH]([OH])[CH2][CH2][CH]([CH]2([CH]([CH2][CH2]1)C3([CH3])([CH]([CH2][CH2]2)[CH2][CH]([OH])[CH2][C
                     InChI=1/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20
ANDROSTAN-3-ALPHA17-BETA-DIOL
          CC12(C(CC(O)CC1)CCC3(C4(C(CCC23)(C)C(=O)CC4)))
ANDROSTERONE         InChI=1/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20
          Cc3(c1(c(c(O)ccc1)c(O)c2(C(=O)C4(O)([CH](Cc23)C(N(C)C)C(O)=C(C4=O)C(=O)N))))
ANHYDROTETRACYCLINE  InChI=1/C22H22N2O7/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(2
ANILINE c1(c(N)cccc1)InChI=1/C6H7N/c7-6-4-2-1-3-5-6/h1-5H,7H2
          C(N)(O)P InChI=1/CH6NOP/c2-1(3)4/h1,3H,2,4H2
ANOTHER-STRANGE-GROUP
          C(=O)(O)c1(c(N)cccc1)
ANTHRANILATE         InChI=1/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
                     InChI=1/C15H11O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-8,16-17,19H
APIGENIN c1(c(o)c(c(O)cc(O)1)C(=O)C=Cc2(ccc(O)cc2))
          C(OC(=O)CC(=O)O)C1(OC(C(O)C(O)C(O)1)Oc2(cc(O)c3(c(=O)cc(oc(c2)3)c4(ccc(O)cc4))))
                     InChI=1/C24H22O13/c25-11-3-1-10(2-4-11)15-7-14(27)20-13(26)5-12(6-16(20)36-15)35-24-23(33)22(
APIGENIN-7-O-6-MALONYL-BETA-D-GLUCOSI
          C(O)C1(OC(C(O)C(O)C1O)Oc3(cc2(oc(cc(=O)c2c(c3)O)c4(ccc(O)cc4))))
                     InChI=1/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-
APIGENIN-7-O-BETA-D-GLUCOSIDE
          C(O)(=O)C1(OC(C(C(O)C(O)1)OC2(C(O)C(O)C(O)C(C)O2))Oc3(cc(O)c4(c(=O)cc(oc(c3)4)c5(ccc(O)cc5))))
                     InChI=1/C27H28O15/c1-9-18(31)19(32)22(35)26(38-9)42-24-21(34)20(33)23(25(36)37)41-27(24)39-12
APIGENIN-7-O-NEOHESPERIDOSIDE
APIOSE               InChI=1/C5H10O5/c6-1-4(9)5(10,2-7)3-8/h1,4,7-10H,2-3H2
          C(=O)C(O)C(CO)(O)CO
APS                  InChI=1/C10H14N5O10PS/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-26(18,19)25-27(
          C(OP(=O)(O)OS(=O)(O)=O)[CH]1(O[CH](C(O)C1O)N2(c3(c(N=C2)c(N)ncn3)))
          CC3(CC(N)=O)(C8(N2([Co+3]5711(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C4(C(C)(C(CC(N)=O)[CH](N
AQUACOBIIIALAMIN InChI=1/C62H89N13O14P.Co.H2O/c1-28-20-38-51-50(30(28)3)74(38)27-75(51)57-52(84)53(39(26-76)
                     InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
ARABINOSEC1(C(O)C(O)C(O)C(O1)O)
          C(OP(O)(=O)O)C(O)C(O)C(O)C=O
ARABINOSE-5P         InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)
          C(O)(=O)CCCCCCCCCCCCCCCCCCC
ARACHIDIC_ACID       InChI=1/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,
          C(O)(=O)CCCC=CCC=CCC=CCC=CCCCCC
ARACHIDONIC_ACID InChI=1/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-
          CCCCCC=CCC=CCC=CCC=CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(
ARACHIDONYL-COA InChI=1/C42H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-34(51)70-25-24-44-
ARG                  InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
          C(NC(N)=N)CC[CH](N)C(O)=O
          C=C(C)C1(CC2(C)(C(=CC1)CCCC2C))
ARISTOLOCHENE        InChI=1/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3
                     InChI=1/AsH3O4/c2-1(3,4)5/h(H3,2,3,4,5)/p-2
ARSENATE O=[As]([O-1])([O-1])O
AS+5      [As+5]     InChI=1/As/q+5
                     InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8,10-11H,1H2
ASCORBATEC1(O[CH](C(O)CO)C(=O)C(O)=1)(O)
ASN                  InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)
          C(N)(=O)CC(N)C(O)=O
          C(O)(=O)C1(CSSC1)
ASPARAGUSATE         InChI=1/C4H6O2S2/c5-4(6)3-1-7-8-2-3/h3H,1-2H2,(H,5,6)
          C2(=O)(OC(=Cc1(ccc(O)cc1))C(O)=C2c3(ccc(O)cc3))
ASPULVINONE-E        InChI=1/C17H12O5/c18-12-5-1-10(2-6-12)9-14-16(20)15(17(21)22-14)11-3-7-13(19)8-4-11/h1-9,18-20
          CC(C)=CCc1(cc(ccc(O)1)C=C2(C(O)=C(C(=O)O2)c3(cc(c(O)cc3)CC=C(C)C)))
ASPULVINONE-H        InChI=1/C27H28O5/c1-16(2)5-8-19-13-18(7-11-22(19)28)14-24-26(30)25(27(31)32-24)21-10-12-23(29
                     InChI=1/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)1
ATABRINE CCN(CC)CCCC(C)Nc2(c1(c(ccc(c1)OC)nc3(cc(Cl)ccc23)))
ATP                  InChI=1/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(
          C(OP(O)(=O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
                     InChI=1/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
ATRAZINE CC(C)NC1(=NC(NCC)=NC(=N1)Cl)
                     InChI=1/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,1
ATROPINE C(O)C(c1(ccccc1))C(=O)OC2(C[CH]3(N(C)[CH](C2)CC3))
AZIRIDINE C1(NC1) InChI=1/C2H5N/c1-2-3-1/h3H,1-2H2
B-ALANINE C(O)(=O)CCNInChI=1/C3H7NO2/c4-2-1-3(5)6/h1-2,4H2,(H,5,6)
          CC(=O)OC5(C1(C(C)(C)C(O)(CC(O)C=1C)C(OC(=O)c2(ccccc2))[CH]4(C3(OC(=O)C)([CH](OC3)CC(O)C(C)4C5=O))))
BACCATIN-III         InChI=1/C31H38O11/c1-15-19(34)13-31(38)26(41-27(37)18-10-8-7-9-11-18)24-29(6,20(35)12-21-30(2
          c1(c(CO)c(N)nc(n1)OC)
BACIMETHRIN          InChI=1/C6H9N3O2/c1-11-6-8-2-4(3-10)5(7)9-6/h2,10H,3H2,1H3,(H2,7,8,9)
                     InChI=1/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
BARBITAL CCC1(C(=O)NC(=O)NC(=O)1)(CC)
          C1(NC(=O)NC(=O)C1)(=O)
BARBITURATE          InChI=1/C4H4N2O3/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
          [CH](=O)c1(ccccc1)
BENZALDEHYDE         InChI=1/C7H6O/c8-6-7-4-2-1-3-5-7/h1-6H
          c1(ccc(cc1)NS(=O)([O-1])=O)
BENZENAMINE-SULFATE  InChI=1/C6H7NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h1-5,7H,(H,8,9,10)/p-1
BENZENE c1(ccccc1) InChI=1/C6H6/c1-2-4-6-5-3-1/h1-6H
          C1(=C(O)C=CC(=C1)O)(O)
BENZENE-124-TRIOL InChI=1/C6H6O3/c7-4-1-2-5(8)6(9)3-4/h1-3,7-9H
          c1(cc([N+1](=O)[O-1])ccc1)
BENZENE-NO2          InChI=1/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
          c1(S(O)(=O)=O)(ccccc1)
BENZENESULFONATE InChI=1/C6H6O3S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H,7,8,9)
          c1(cc2(c(cc1)ncn2))
BENZIMIDAZOLE        InChI=1/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
                     InChI=1/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
BENZOATE C(O)(=O)c1(ccccc1)
          C1(C(=O)C=CC(C=1)O)
BENZOSEMIQUINONE InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-5,7H
          C(O)(=O)CC(=O)c1(ccccc1)
BENZOYL-ACETATE      InChI=1/C9H8O3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
          C(CC(=O)NCCSC(=O)CC(=O)c1(ccccc1))NC(=O)C(O)C(C)(C)COP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C2OP(=O)(O)O)n3(c4
BENZOYL-ACETYL-COA InChI=1/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)12-18(38)17-6-4-3-5
          [CH3]C([CH3])([CH]([OH])C(=O)[NH][CH2][CH2]C(=O)[NH][CH2][CH2]SC(=O)c1([cH][cH][cH][cH][cH]1))[CH2]OP([OH
BENZOYL-S-COA        InChI=1/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-
BENZOYLCOA           InChI=1/C28H40N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-
          C(NCCC(=O)NCCSC(=O)c1(ccccc1))(=O)C(O)C(C)(C)COP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C2OP(=O)(O)O)n3(c4(c(nc3
          c12(n(cnc(c(N)ncn1)2)C3(OC(C(C(O)3)OP(=O)(O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)
BENZOYLSUCCINYL-COA  InChI=1/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(
          CC(=O)C(C)C(=O)OCc1(ccccc1)
                     InChI=1/C12H14O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
BENZYL-2-METHYL-3-OXOBUTANOATE
          CC(O)C(C)C(=O)OCc1(ccccc1)
                     InChI=1/C12H16O3/c1-9(10(2)13)12(14)15-8-11-6-4-3-5-7-11/h3-7,9-10,13H,8H2,1-2H3
BENZYL-2R3S-2-METHYL-3-HYDROXYBUTANOA
          C(O)c1(ccccc1)
BENZYL-ALCOHOL       InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2
          C(O)C1(C(OC(O)C(O)C(O)1)SC(=NO)cc2(ccccc2))
                     InChI=1/C14H25NO6S/c16-7-9-11(17)12(18)13(19)21-14(9)22-10(15-20)6-8-4-2-1-3-5-8/h8-9,11-14,16
BENZYL-DESULFOGLUCOSINOLATE
          C1(OC(C(CO)C(O)C(O)1)SC(=NOS(=O)(O)=O)cc2(ccccc2))(O)
BENZYL-GLUCOSINOLATE InChI=1/C14H25NO9S2/c16-7-9-11(17)12(18)13(19)23-14(9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8
          C(N=C=S)C1(C=CC=CC=1)
BENZYL-ISOTHIOCYANATEInChI=1/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2
          C(=O)(O)C[CH](C(O)=O)Cc1(ccccc1)
BENZYLSUCCINATE      InChI=1/C11H12O4/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)(H,14,15)
          CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)[CH](CC(O)=O)Cc1(ccccc1))COP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=
BENZYLSUCCINYL-COA InChI=1/C32H46N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-
          C1(N(C)C(c2(c(C1)cc(c(c2)O)OC))Cc3(ccc(cc3)Oc4(cc(ccc4O)CC5(N(C)CCc6(cc(OC)c(O)cc56)))))
BERBAMUNINE          InChI=1/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-1
                     InChI=1/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(1
BERBERINE C3(N1(C(=CC2(=C(C=1)C(OC)=C(C=C2)OC))C4(C(C3)=CC5(=C(C=4)OCO5))))
                     InChI=1/C11H6O4/c12-10-2-1-6-9(15-10)5-8-7(11(6)13)3-4-14-8/h1-5,13H
BERGAPTOLC2(=CC1(C(O)=C3(C(=CC=1O2)OC(=O)C=C3)))
          C(N)CC(=O)OC
                     InChI=1/C4H9NO2/c1-7-4(6)2-3-5/h2-3,5H2,1H3
BETA-ALANINE-METHYL-ESTER
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(O)=O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
BETA-ALANYL-COA      InChI=1/C24H41N8O17P3S/c1-12(25)23(37)53-7-6-27-14(33)4-5-28-21(36)18(35)24(2,3)9-46-52(43,44
          C(#N)CCN InChI=1/C3H6N2/c4-2-1-3-5/h1-2,4H2
BETA-AMINOPROPIONITRILE
          c2(c(C[CH]1(C(=O)C(=C(O)C)C(=O)N1))c3(c(CC=C(C)C)cccc(n2)3))
BETA-CYCLOPIAZONATE  InChI=1/C20H22N2O3/c1-11(2)7-8-13-5-4-6-15-18(13)14(10-21-15)9-16-19(24)17(12(3)23)20(25)22-1
          C(O)C1(C(O)C(O)C(O)(O1)CO)
BETA-D-FRUCTOSE      InChI=1/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2
          CC(=O)NC1(C(C(O)C(CO)OC1O)OC2(C(O)C(O)C(O)C(O2)CO))
                     InChI=1/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14
BETA-D-GAL-1-3-D-GLCNAC
          C(O)C1(OC(C(O)C(O)C1O)OC2(C(O)C(O)C(O)OC2O))
BETA-D-GAL-1-4-D-GLCInChI=1/C11H20O11/c12-1-2-3(13)4(14)7(17)11(20-2)21-8-5(15)6(16)9(18)22-10(8)19/h2-19H,1H2
          CC(=O)NC1(C(O)C(C(CO)OC1O)OC2(C(O)C(O)C(O)C(O2)CO))
                     InChI=1/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14
BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE
          CC(=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)OC1(OC(CO)C(C(O)C1NC(C)=O)OC2(OC(CO)C(O)C(O)C(O)2)))CCC=C(
                     InChI=1/C69H115NO17P2/c1-48(2)24-14-25-49(3)26-15-27-50(4)28-16-29-51(5)30-17-31-52(6)32-18-
BETA-D-GLUCOSYL-14-N-ACETYL-D-GLUCOSAMI
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OC1(C(O)C
                     InChI=1/C56H93O9P/c1-42(2)21-12-22-43(3)23-13-24-44(4)25-14-26-45(5)27-15-28-46(6)29-16-30-47
BETA-D-MANNOSYLPHOSPHODECAPRENOL
          C(OP(O)(O)=O)C1(OC(OP(O)(O)=O)C(O)C(O)C1O)
                     InChI=1/C6H14O12P2/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15/h2-9H,1H2,(H2,10,11,1
BETA-GLUCOSE-16-DIPHOSPHATE
          CC(C)CCCC(C)[CH]1(C2(C)([CH](CC1)C3([CH](CC2)C4(C)([CH](CC=3)C(C)(C(O)=O)C(O)CC4))))
                     InChI=1/C29H48O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-
BETA-HYDROXY-4BETA-METHYL-5ALPHA-CHOLEST
          CC14(C(=O)CC[CH]([CH]2([CH](CC1)C3(C)(C(CC2)CC(CC3)OS(=O)(O)=O)))4)
                     InChI=1/C19H30O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)
BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT
          C1(O)(C(C(O)C(O)C(O1)CO)OC2(C(O)C(O)C(O)C(O2)CO))
BETA-KOJIBIOSE       InChI=1/C12H22O11/c13-1-3-6(16)8(18)10(11(20)21-3)23-12-9(19)7(17)5(15)4(2-14)22-12/h3-20H,1-2
           C1(C(O)C(O)C(O)C(O)O1)
BETA-L-ARABINOSE InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
           CC(C)CCCC(C)CCCC(C)CCCC1(C)(OC2(C(CC1)=C(C)C(O)=CC=2C))
BETA-TOCOPHEROL InChI=1/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)2
                       InChI=1/C5H11NO2/c1-6(2,3)4-5(7)8/h4H2,1-3H3
BETAINE C([O-1])(=O)C[N+1](C)(C)C
           C(C=O)[N+1](C)(C)C
                       InChI=1/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3/q+1
BETAINE-ALDEHYDE-HYDRATE
           C(=O)CN(C)(C)C
BETAINE_ALDEHYDE InChI=1/C5H12NO/c1-6(2,3)4-5-7/h5H,4H2,1-3H3
                       InChI=1/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(7-40-23(6-29)19(37)14(32)10(3-27)43
BIFURCOSEC(OC1(CO)(C(O)C(O)C(O1)CO))C2(OC(C(O)C(O)2)COC3(CO)(C(O)C(O)C(O3)CO))(OC4(OC(CO)C(O)C(O)C(O)4))
                       InChI=1/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-2
BILIRUBIN C1(NC(C(C=C)=C(C)1)=Cc2(nc(c(c(C)2)CCC([O-1])=O)Cc3(nc(c(C)c3CCC([O-1])=O)C=C4(C(C)=C(C=C)C(=O)N4))))(=O)
           C1(NC(C(C=C)=C(C)1)=Cc2(nc(c(c(C)2)CCC(=O)OC3(OC(C(=O)O)C(O)C(O)C(O)3))Cc4(c(c(C)c(n4)C=C5(C(C)=C(C=C)C(
                       InChI=1/C45H52N4O18/c1-7-20-19(6)40(58)49-27(20)14-25-18(5)23(10-12-31(51)65-45-37(57)33(53)
BILIRUBIN-BISGLUCURONOSIDE
           C1(NC(C(C=C)=C(C)1)=Cc2(nc(c(c(C)2)CCC([O-1])=O)Cc3(c(c(C)c(n3)C=C4(C(C)=C(C=C)C(=O)N4))CCC(=O)OC5(OC(C(
BILIRUBIN-GLUCURONOSIDEInChI=1/C39H44N4O12/c1-7-20-19(6)36(50)43-27(20)14-25-17(4)22(9-11-30(44)45)28(41-25)15-29-2
BILIVERDINE            InChI=1/C33H34N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-2
           C1(NC(C(C=C)=C(C)1)=Cc2(nc(c(c(C)2)CCC([O-1])=O)C=C3(N=C(C(C)=C3CCC([O-1])=O)C=C4(C(C)=C(C=C)C(=O)N4))))
                       InChI=1/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,3
BIO-5-AMP [CH2]2(S[CH]([CH]1([NH]C(=O)[NH][CH]12))[CH2][CH2][CH2][CH2]C(=O)OP([OH])(=O)O[CH2][CH]3(O[CH]([CH]([OH
BIOCHANIN-A            InChI=1/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1
           C2(=C(c1(ccc(cc1)OC))C(=O)c3(c(O2)cc(O)cc3O))
           c2(c(c1(ccc(OC)cc1))c(=O)c3(c(o2)cc(cc3O)OC4(OC(C(O)C(O)C4O)COC(=O)CC(O)=O)))
                       InChI=1/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)2
BIOCHANIN-A-7-O-6-O-MALONYL-BETA-D-GLUC
           c2(c(c1(ccc(OC)cc1))c(=O)c3(c(o2)cc(cc3O)OC4(C(O)C(O)C(O)C(O4)CO)))
                       InChI=1/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)2
BIOCHANIN-A-7-O-BETA-D-GLUCOSIDE
                       InChI=1/C9H13N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,6,15-16H,2H2,1H3,(H4,10,1
BIOPTERIN C1(C(C(O)C(C)O)=Nc2(c(N1)nc(N)[nH]c(=O)2))
BIOTIN                 InChI=1/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,
           C1(SC([CH]2([CH]1NC(N2)=O))CCCCC(O)=O)
                       InChI=1/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
BIPHENYL c1(ccc(cc1)c2(ccccc2))
           c1(ccc(cc1)c2(c(O)c(O)ccc2))
BIPHENYL-23-DIOL       InChI=1/C12H10O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,13-14H
           C(=O)([OH])[CH]([NH]C(=O)[CH2][CH2][CH]([NH2])C([OH])=O)[CH2]SS[CH2][CH](C([OH])=O)[NH]C(=O)[CH2][CH2][C
                       InChI=1/C16H26N4O10S2/c17-7(13(23)24)1-3-11(21)19-9(15(27)28)5-31-32-6-10(16(29)30)20-12(22)
BIS-GAMMA-GLUTAMYLCYSTINE
           C(OP(O)(=O)O)C(OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)COCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
                       InChI=1/C43H73O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(4
BIS-GERANYLGERANYLGLYCEROL-PHOSPHATE
           c1(cc(ccc1N(=O)O)OP(O)(=O)Oc2(ccc(cc2)N(O)=O))
                       InChI=1/C12H11N2O8P/c15-13(16)9-1-5-11(6-2-9)21-23(19,20)22-12-7-3-10(4-8-12)14(17)18/h1-8H,(
BIS-P-NITROPHENOLPHOSPHATE
           C(=O)(OCC(CC)CCCC)C1(=C(C=CC=C1)C(=O)OCC(CC)CCCC)
                       InChI=1/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6
BIS2-ETHYLHEXYLPHTHALATE
           CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(NC(=O)CC(O)CCCCCC
BISOHMYR-GLC           InChI=1/C68H129N2O20P/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(88-59(78)47-53
           CCCCCCCCCCCC(O)CC(=O)NC1(C(C(O)C(CO)OC1OP(O)(O)=O)OC(=O)CC(O)CCCCCCCCCCC)
                       InChI=1/C34H66NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-3
BISOHMYR-GLUCOSAMINYL-1P
           c1(n(c(=O)nc(c1)=N)C2(OC(C(O)=O)C(C=C2)NC(=O)CC(N)CCN(C)C(N)=N))
BLASTICIDIN-S          InChI=1/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(1
BR-        [Br-1]      InChI=1/BrH/h1H/p-1
           c1(cccc(c1)Br)
BROMOBENZENE           InChI=1/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H
BUFOTENINE             InChI=1/C12H16N2O/c1-14(2)6-5-9-8-13-12-4-3-10(15)7-11(9)12/h3-4,7-8,13,15H,5-6H2,1-2H3
           C(N(C)C)Cc1(c2(c([nH]c1)ccc(O)c2))
BUTADIENEC=CC=C        InChI=1/C4H6/c1-3-4-2/h3-4H,1-2H2
BUTANAL [CH](=O)CCC    InChI=1/C4H8O/c1-2-3-4-5/h4H,2-3H2,1H3
BUTANEDIOL CC(O)C(C)OInChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
BUTANOL C(O)CCC InChI=1/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3
BUTEIN                 InChI=1/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H
           c1(c(O)c(ccc(O)1)C(=O)C=Cc2(ccc(O)c(O)c2))
           CCCCS(=O)(=N)CCC(N)C(O)=O
BUTHIONINE-SULFOXIMINE InChI=1/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)
BUTYLAMINE C(N)CCC InChI=1/C4H11N/c1-2-3-4-5/h2-5H2,1H3
BUTYRAMIDE CCCC(=O)N InChI=1/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
           C(=O)(O)CCC
BUTYRIC_ACID           InChI=1/C4H8O2/c1-2-3-4(5)6/h2-3H2,1H3,(H,5,6)
BUTYRYL-COA            InChI=1/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)
           [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(O)=O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(
                       InChI=1/C4H9O5P/c1-2-3-4(5)9-10(6,7)8/h2-3H2,1H3,(H2,6,7,8)
BUTYRYL-P C(OP(O)(=O)O)(=O)CCC
C-3-NONENALCCCCCC=CCC=OInChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h6-7,9H,2-5,8H2,1H3
           CCC=CCC=CCC=O
C-36-NONADIENAL        InChI=1/C9H14O/c1-2-3-4-5-6-7-8-9-10/h3-4,6-7,9H,2,5,8H2,1H3
C1                     InChI=1/C41H65N9O28P2/c1-15(32(58)45-17(3)37(62)63)44-35(61)21(8-6-7-20(42)38(64)65)47-25(53
           CC(=O)NC1(C(C(O)C(CO)OC1OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))OC(C)C(=O)NC(C)C(=O
C19SKELETON            InChI=1/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h
           C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(CCC3)(C)[CH]4C5C(=O)O))))
C2                     InChI=1/C87H143N7O23P2/c1-56(2)29-18-30-57(3)31-19-32-58(4)33-20-34-59(5)35-21-36-60(6)37-22
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)O
C20SKELETON            InChI=1/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h
           CC1([CH]4(C(CCC1)(C)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
C3                     InChI=1/C40H65N9O26P2/c1-16(32(58)44-18(3)38(63)64)43-35(61)21(8-6-7-12-41)47-36(62)22(9-10-
           CC(=O)NC1(C(OC(C)C(=O)NC(C)C(=O)NC(CCC(O)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(O)=O)C(O)C(CO)OC1O
C4                     InChI=1/C86H143N7O21P2/c1-57(2)30-20-31-58(3)32-21-33-59(4)34-22-35-60(5)36-23-37-61(6)38-24
           C(NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O)(=O)C(C)NC(=O)C(C)OC1(C(NC(C)=O)C(OC(CO)C(O
C5                   InChI=1/C87H143N7O23P2/c1-56(2)29-18-30-57(3)31-19-32-58(4)33-20-34-59(5)35-21-36-60(6)37-22
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)O
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)O
C55-PP-GLCNAC-MANNACAInChI=1/C71H116N2O18P2/c1-48(2)25-15-26-49(3)27-16-28-50(4)29-17-30-51(5)31-18-32-52(6)33-19
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)O
                     InChI=1/C79H129N3O22P2/c1-50(2)27-17-28-51(3)29-18-30-52(4)31-19-32-53(5)33-20-34-54(6)35-21
C55-PP-GLCNAC-MANNACA-FUC4NAC
C6                   InChI=1/C95H156N8O28P2/c1-58(2)30-19-31-59(3)32-20-33-60(4)34-21-35-61(5)36-22-37-62(6)38-23
          C(=O)(NC(CCC(O)=O)C(=O)NC(CCCC(N)C(=O)O)C(=O)NC(C)C(=O)NC(C)C(O)=O)C(C)NC(=O)C(C)OC1(C(NC(=O)C)C(OC
C7                   InChI=1/C21H36N6O10/c1-9(22)16(29)27-14(21(36)37)7-8-15(28)26-13(6-4-5-12(23)20(34)35)18(31)2
          CC(C(=O)O)NC(=O)C(C)NC(=O)C(CCCC(N)C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C(C)N
C8                   InChI=1/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
          C(O)(=O)C(N)CCCC(N)C(=O)O
CA+2      [Ca+2]     InChI=1/Ca/q+2
CADAVERINEC(N)CCCCN InChI=1/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
                     InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)
CAFFEATE C(O)(=O)C=Cc1(cc(O)c(O)cc1)
          C(CC(=O)NCCSC(=O)C=Cc1(cc(O)c(O)cc1))NC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2OP
CAFFEOYL-COA         InChI=1/C30H42N7O19P3S/c1-30(2,25(43)28(44)33-8-7-20(40)32-9-10-60-21(41)6-4-16-3-5-17(38)18(
          C(=O)(OC1(C(O)C(O)CC(O)(C1)C(O)=O))C=Cc2(cc(O)c(O)cc2)
CAFFEOYLQUINATE      InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,
          C(=O)(O)C1(CC(C(O)C(C=1)O)OC(=O)C=CC2(C=C(O)C(O)=CC=2))
CAFFEOYLSHIKIMATE InChI=1/C16H16O8/c17-10-3-1-8(5-11(10)18)2-4-14(20)24-13-7-9(16(22)23)6-12(19)15(13)21/h1-6,12
                     InChI=1/C27H44O2/c1-19-8-12-24(28)18-22(19)10-9-21-14-16-27(5)23(17-21)11-13-25(27)20(2)7-6-1
CALCIDIOL C=C1(C(CC(O)CC1)=CC=C2(CC3(C(C)(CC2)C(CC3)C(C)CCCC(C)(O)C)))
                     InChI=1/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-
CALCITRIOLC=C1(C(CC(O)CC1O)=[CH][CH]=C2(C3(C(C)(CCC2)C(CC3)C(C)CCCC(C)(O)C)))
                     InChI=1/C16H12O5/c1-20-14-5-2-9(6-13(14)18)12-8-21-15-7-10(17)3-4-11(15)16(12)19/h2-8,17-18H,1
CALYCOSIN C2(=C(c1(ccc(c(c1)O)OC))C(=O)c3(c(O2)cc(O)cc3))
CAMP                 InChI=1/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-
          C2(C1(OC(C(O)C1OP(O)(O2)=O)n3(c4(c(nc3)c(N)ncn4))))
CANAVANINE           InChI=1/C5H12N4O3/c6-3(4(10)11)1-2-12-9-5(7)8/h3H,1-2,6H2,(H,10,11)(H4,7,8,9)
          C(ONC(N)=N)CC(N)C(O)=O
          C(O)(=O)C(N)CCONC(=N)NC(C(O)=O)CC(O)=O
CANAVANINOSUCCINATE  InChI=1/C9H16N4O7/c10-4(7(16)17)1-2-20-13-9(11)12-5(8(18)19)3-6(14)15/h4-5H,1-3,10H2,(H,14,15
          C          InChI=1/C40H56O3/c1-29(17-13-19-31(3)21-23-36-33(5)25-34(41)26-38(36,6)7)15-11-12-16-30(2)18-
CAPSANTHINC(C=CC1(=C(C)CC(O)CC(C)(C)1))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(C(C)(C)CC(O)C2)(C)
          C          InChI=1/C41H58O4/c1-29(18-14-20-31(3)22-23-36(44)40(10)27-34(42)25-38(40,6)7)16-12-13-17-30(2
CAPSORUBINC(C=C(C)C(=O)C1(C(C)(C)CC(O)C1)(C))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=O)C2(C(C)(C)CC(O)C2)(C)
          C
CARBAMATE([O-1])(N)=OInChI=1/CH3NO2/c2-1(3)4/h2H2,(H,3,4)/p-1
          C(N)(=O)OP(=O)(O)O
CARBAMOYL-P          InChI=1/CH4NO5P/c2-1(3)7-8(4,5)6/h(H2,2,3)(H2,4,5,6)
          C(C(O)=O)N(C)C(N)=O
CARBAMOYL-SARCOSINE  InChI=1/C4H8N2O3/c1-6(4(5)9)2-3(7)8/h2H2,1H3,(H2,5,9)(H,7,8)
          C(O)(=O)C(N)OC(=O)N
CARBAMOYLOXAMATEInChI=1/C3H6N2O4/c4-1(2(6)7)9-3(5)8/h1H,4H2,(H2,5,8)(H,6,7)
          C(=O)(O)CC(C(O)=O)NC(N)=O
CARBAMYUL-L-ASPARTATEInChI=1/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)
          C(=O)=O InChI=1/CO2/c2-1-3
CARBON-DIOXIDE
          [C-1]#[O+1]InChI=1/CO/c1-2
CARBON-MONOXIDE
          C(=S)=O
CARBONYL-SULFIDE InChI=1/COS/c2-1-3
          C(OP(O)(=O)O)C(C(O)=O)(O)C(=O)[CH](O)COP(O)(=O)O
CARBOXY-ARABINITOL-PPInChI=1/C6H12O13P2/c7-3(1-18-20(12,13)14)4(8)6(11,5(9)10)2-19-21(15,16)17/h3,7,11H,1-2H2,(H,9,
          C(=O)(O)CCC1(C(O)C(O)C=CC=1)
                     InChI=1/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)
CARBOXYETHYL-3-5-CYCLOHEXADIENE-1-2-DIOL
          C(=O)(O)CCC(C(=O)O)=CC(=O)O
CARBOXYHEXENEDIOATE  InChI=1/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
          [C-1](O)=O InChI=1/CHO2/c2-1-3/h(H,2,3)/q-1
CARBOXYL-GROUP
          C([O-1])(=O)CON
CARBOXYMETHOXYLAMINE InChI=1/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)/p-1
          C(NCCSC(=O)C(CC(=O)O)C(O)c1(ccccc1))(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC2(OC(C(O)C2OP(=O)(O
                     InChI=1/C32H46N7O20P3S/c1-32(2,26(45)29(46)35-9-8-20(40)34-10-11-63-31(47)18(12-21(41)42)23(
CARBOXYMETHYL-HYDROXYPHENYLPROPCOA
          C(OP(O)(O)=O)C(O)C(O)C(=O)CNc1(c(C(O)=O)cccc1)
                     InChI=1/C12H16NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,10-11,1
CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P
                     InChI=1/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
CARNITINE C([N+1](C)(C)C)C(O)CC([O-1])=O
                     InChI=1/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14
CARNOSINEC(CCN)(=O)NC(C(=O)O)Cc1(nc[nH]c1)
                     InChI=1/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
CATECHOL c1(cc(O)c(O)cc1)
CDP                  InChI=1/C9H16N3O11P2/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h
          c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OP(O)(=O)O))
          [CH3][CH]1(O[CH]([CH]([OH])[CH2][CH]([OH])1)OP([OH])(=O)OP([OH])(=O)O[CH2][CH]2(O[CH]([CH]([OH])[CH]([OH
                     InChI=1/C15H26N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(
CDP-36-DIDEOXY-D-GLUCOSE
          [CH3][CH]1(O[CH]([CH]([OH])[CH2][CH]([OH])1)OP([OH])(=O)OP([OH])(=O)O[CH2][CH]2(O[CH]([CH]([OH])[CH]([OH
                     InChI=1/C15H26N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(
CDP-36-DIDEOXY-D-MANNOSE
          CC1(OC(C(O)CC1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)nc(N)cc3)))
CDP-ABEQUOSE         InChI=1/C15H26N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(
          C(OP(O)(=O)OP(O)(=O)OCC[N+1](C)(C)C)C1(OC(C(O)C1O)n2(c(=O)nc(N)cc2))
CDP-CHOLINE          InChI=1/C14H27N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4
          c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OP(O)(=O)OC3(OC(CO)C(O)C(O)C(O)3)))
CDP-D-GLUCOSE        InChI=1/C15H26N3O16P2/c16-7-1-2-18(15(25)17-7)13-11(23)9(21)6(31-13)4-30-35(26,27)34-36(28,29
          c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OP(O)(=O)OCCN))
CDP-ETHANOLAMINE InChI=1/C11H21N4O11P2/c12-2-4-23-27(19,20)26-28(21,22)24-5-6-8(16)9(17)10(25-6)15-3-1-7(13)14
          c1(n(c(=O)nc(c1)N)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCCNC))
                     InChI=1/C12H23N4O11P2/c1-14-3-5-24-28(20,21)27-29(22,23)25-6-7-9(17)10(18)11(26-7)16-4-2-8(13
CDP-N-METHYLETHANOLAMIN
CELLOBIOSE           InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2
          C1(OC(CO)C(C(O)C(O)1)OC2(OC(CO)C(O)C(O)C(O)2))(O)
CELLOTRIOSE           InChI=1/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2
           [CH2]([OH])[CH]2(O[CH](O[CH]1([CH]([CH2][OH])O[CH]([OH])[CH]([OH])[CH]([OH])1))[CH]([OH])[CH]([OH])[CH]2O[
           CC(=O)OCC1(=C(C(O)=O)N2([CH](SC1)C(C2=O)NC(=O)CCCC(N)C(O)=O))
CEPHALOSPORIN-C       InChI=1/C16H21N3O8S/c1-7(20)27-5-8-6-28-14-11(13(22)19(14)12(8)16(25)26)18-10(21)4-2-3-9(17)1
                      InChI=1/C17H23NO4/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20/h3-4,8-9,13-
CETRAXATEC(N)C1(CCC(CC1)C(=O)Oc2(ccc(cc2)CCC(O)=O))
           C(N)C1(CCC(CC1)C(=O)Oc2(ccc(cc2)CCC(=O)OCc3(ccccc3)))
CETRAXATE-BENZYL-ESTERInChI=1/C24H29NO4/c25-16-19-6-11-21(12-7-19)24(27)29-22-13-8-18(9-14-22)10-15-23(26)28-17-20
CGMP                  InChI=1/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-
           C2(C1(OC(C(O)C1OP(=O)(O)O2)n3(c4(c(nc3)c(=O)[nH]c(N)n4))))
           C(=O)(O)C(C)C=O
CH3-MALONATE-S-ALDInChI=1/C4H6O3/c1-3(2-5)4(6)7/h2-3H,1H3,(H,6,7)
                      InChI=1/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)
CH3-SER C(O)C(N)(C)C(O)=O
                      InChI=1/C10H13N5O3/c1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15/h2-4,6-7,10,16-17H,1H
CH33ADO CC1(O[CH]([CH](O)[CH]1O)n2(c3(c(nc2)c(N)ncn3)))
                      InChI=1/C3H9NO/c1-4(2,3)5/h1-3H3
CH33NO C[N+1](C)(C)[O-1]
CH4        [CH4]      InChI=1/CH4/h1H4
           c1(c(cccc1)C=CC(=O)c2(ccccc2))
CHALCONE-CMPD         InChI=1/C15H12O/c16-15(14-9-5-2-6-10-14)12-11-13-7-3-1-4-8-13/h1-12H
           CC(CCC(O)=O)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2)C4(C)([CH](CC3O)CC(O)CC4))))
CHENODEOXYCHOLATEInChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)1
           CC(CCC(=O)NCCS(=O)(O)=O)C1(C2(C)(C(CC1)C3(C(CC2)C4(C)([CH](CC3O)CC(O)CC4))))
                      InChI=1/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)
CHENODEOXYCHOLOYLTAURINE
CHITOBIOSE            InChI=1/C16H28N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(
           C1(C(NC(=O)C)C(O)C(O)C(O1)CO)O[CH]2(C(O)C(NC(=O)C)C(O)OC2CO)
           C(=O)(O)C(N)CCl
CHLORALAN-CPD         InChI=1/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)
           C(O)C(NC(=O)C(Cl)Cl)C(O)C1(=CC=C([N+1](=O)[O-1])C=C1)
CHLORAMPHENICOL InChI=1/C11H12Cl2N2O5/c12-10(13)11(18)14-8(5-16)9(17)6-1-3-7(4-2-6)15(19)20/h1-4,8-10,16-17H,5
           CC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1(ccc(N(=O)=O)cc1)
                      InChI=1/C13H14Cl2N2O6/c1-7(18)23-6-10(16-13(20)12(14)15)11(19)8-2-4-9(5-3-8)17(21)22/h2-5,10-1
CHLORAMPHENICOL-3-ACETATE
CHLORATE O=Cl(O)=O InChI=1/ClHO3/c2-1(3)4/h(H,2,3,4)
CHLORDECONE           InChI=1/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20
           C1(=O)(C3(Cl)(C4(Cl)(C2(Cl)(C5(Cl)(C(Cl)(C12Cl)C(Cl)3C(Cl)4C(Cl)5Cl)))))
           C1(O)(C3(Cl)(C4(Cl)(C2(Cl)(C5(Cl)(C(Cl)(C12Cl)C(Cl)3C(Cl)4C(Cl)5Cl)))))
CHLORDECONE-ALCOHOL   InChI=1/C10H2Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/h1,21H
CHLORITE OCl=O        InChI=1/ClHO2/c2-1-3/h(H,2,3)
           C(O)(=O)CCl
CHLOROACETIC-ACID InChI=1/C2H3ClO2/c3-1-2(4)5/h1H2,(H,4,5)
           c1(cccc(c1)Cl)
CHLOROBENZENE         InChI=1/C6H5Cl/c7-6-4-2-1-3-5-6/h1-5H
           C(=O)(OC1(CC(O)(C(=O)O)CC(O)C1O))C=CC2(=CC(O)=C(O)C=C2)
CHLOROGENATE          InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,
           C1(=C(O)C=CC(=C1)O)(Cl)
CHLOROHYDROQUINONE    InChI=1/C6H5ClO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
           CC(CCCC(C)CCCC(C)CCCC(C)C)=CCOC(=O)CCC6(C4(C1(C(C(=O)OC)C(=O)c2(c(C)c7(n(c=12)[Mg]58(n3(c(c(C=C)c(C)c3
CHLOROPHYLL-A         InChI=1/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33
           CC(CCCC(C)CCCC(C)CCCC(C)C)=CCOC(=O)CCC7(C6(C1(C(C(=O)OC)C(=O)c2(c(C)c3(n(c=12)[Mg]59(N4(C(C(C=O)=C(CC
CHLOROPHYLL-B         InChI=1/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6
           CCC6(=C(C)C5(C=C1(N=C(C(C)=C1C=C)C=C2(N=C(C(C(C)2)CCC(=O)O)C4(C(C(=O)OC)C([O-1])=c3(c(C)c([n-1]c3=4)C=C
CHLOROPHYLLIDE        InChI=1/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34
           CCC8(C3(=N7([Mg]59(n2(c1(=C(C(C(=O)OC)C(=O)c1c(C)c2=C3)C4(=N(C(C(C)C4CCC(=O)O)=Cc6(n5c(c(C=C)c(C)6)C=C
CHLOROPHYLLIDE-A InChI=1/C35H36N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7
CHOCOLA_A             InChI=1/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)
           C(=O)(CCCCCCCCCCCCCCC)OCC=C(C)C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1)
CHOLANATE2            InChI=1/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(2
           C[CH](CCC(=O)O)C1(C2([CH](CC1)[CH]3([CH](CC(O)2)C4([CH](CC(=O)3)CC(O)CC4)(C)))(C))
                      InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(2
CHOLATE CC(CCC(O)=O)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2O)C4(C)([CH](CC3O)CC(O)CC4))))
CHOLESTEROL           InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-2
           CC(C)CCCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C)(C(=CC3)CC(O)CC4))))
                      InChI=1/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
CHOLINE C(O)C[N+1](C)(C)C
CHORISMATE            InChI=1/C10H10O6/c1-5(9(12)13)16-8-4-6(10(14)15)2-3-7(8)11/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)
           C=C(C(O)=O)OC1(C(O)C=CC(=C1)C(O)=O)
           C(=O)C=Cc1(ccccc1)
CINNAMALDEHYDE        InChI=1/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1(ccccc1))COP(=O)(O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O)(O)=
CINNAMOYL-COA         InChI=1/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-
           C(O)C=Cc1(ccccc1)
CINNAMYL-ALC          InChI=1/C9H10O/c10-8-4-7-9-5-2-1-3-6-9/h1-7,10H,8H2
           CCC1(C(O)C(O)C=CC=1)
                      InChI=1/C8H12O2/c1-2-6-4-3-5-7(9)8(6)10/h3-5,7-10H,2H2,1H3
CIS-12-DIHYDRO-3-ETHYLCATECHOL
           C1(c2(c(C(O)C(C=1)O)cccc2))
                      InChI=1/C10H10O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,9-12H
CIS-12-DIHYDRONAPHTHALENE-12-DIOL
           C1(c2(c(C(O)C(C=1)O)c3(c(s2)cccc3)))
                      InChI=1/C12H10O2S/c13-8-5-6-10-11(12(8)14)7-3-1-2-4-9(7)15-10/h1-6,8,12-14H
CIS-12-DIHYDROXY-12-DIHYDRODIBENZOTHIO
           C(O)(=O)C1(C(O)C=C(C)C=C1)(O)
                      InChI=1/C8H10O4/c1-5-2-3-8(12,7(10)11)6(9)4-5/h2-4,6,9,12H,1H3,(H,10,11)
CIS-12-DIHYDROXY-ETCETERA-CARBOXYLATE
           C(=O)(O)C=C1(OC(=O)C(=C1)Cl)
                      InChI=1/C6H3ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1-2H,(H,8,9)
CIS-2-CHLORO-4-CARBOXYMETHYLENEBUT-2-EN-
           C(=O)CC=CCC
CIS-3-HEXENAL         InChI=1/C6H10O/c1-2-3-4-5-6-7/h3-4,6H,2,5H2,1H3
           C(O)CC=CCC
CIS-3-HEXENOL         InChI=1/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3
           C1(C=C(C(O)C(C=1)O)c2(ccccc2))
                      InChI=1/C12H12O2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8,11-14H
CIS-3-PHENYLCYCLOHEXA-35-DIENE-12-DIOL
           C(C(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC=CCC(O)=O)OP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(=O)(O
                      InChI=1/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-
CIS-34-DEHYDROADIPYL-COA
           C(O)(=O)C1(CC(O)CN1)
                      InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
CIS-4-HYDROXY-D-PROLINE
           C(=O)(O)C1(C(C(O)=O)=CC(O)C(C=1)O)
                      InChI=1/C8H8O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,5-6,9-10H,(H,11,12)(H,13,14)
CIS-45-DIHYDROXYCYCLOHEXA-162-DIENE-
           C(=O)(O)CC(C(=O)O)=CC(O)=O
CIS-ACONITATE         InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)
           C(=O)(O)C=CC=CC(O)=O
CIS-CIS-MUCONATE InChI=1/C6H6O4/c7-5(8)3-1-2-4-6(9)10/h1-4H,(H,7,8)(H,9,10)
           C(CC1(C(O)C=CC=C1)(O))(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(=O)O)n
                      InChI=1/C29H44N7O19P3S/c1-28(2,23(41)26(42)32-8-6-18(38)31-9-10-59-19(39)11-29(43)7-4-3-5-17(
CIS-DIHYDRODIOL-DERIV-PHEAC
           C3([N+1]1(C)([CH](Cc2(c(C1)c(OC)c(OC)cc2))c4(c(C3)cc5(c(c4)OCO5))))
                      InChI=1/C21H24NO4/c1-22-7-6-14-9-19-20(26-12-25-19)10-15(14)17(22)8-13-4-5-18(23-2)21(24-3)16
CIS-N-METHYL-S-781314-TETRAHYDROPRO
           C(=O)(O)C=Cc1(ccc(O)cc1)
CIS-P-COUMARATE       InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)
CIT                   InChI=1/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
           C(=O)(O)CC(C(O)=O)(O)CC(O)=O
CL-        [Cl-1]     InChI=1/ClH/h1H/p-1
CMP                   InChI=1/C9H15N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14
           c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)O))
                      InChI=1/C17H27N3O15P/c18-10-1-2-20(17(30)19-10)15-14(27)13(26)9(35-15)5-34-36(31,32)33-4-8(2
CMP-KDO C(O)(=O)C(=O)CC(O)C(O)C(O)C(O)COP(=O)(O)OCC1(OC(C(O)C(O)1)n2(c(=O)nc(N)cc2))
           c1(n(c(=O)nc(N)c1)C2(OC(C(O)C(O)2)COP(O)(=O)OC3(OC(C(O)C(O)CO)C(C(O)C3)NC(C)=O)(C(=O)O)))
                      InChI=1/C20H32N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37
CMP-N-ACETYL-NEURAMINATE
CO+2       [Co+2]     InChI=1/Co/q+2
CO-A                  InChI=1/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)4
           CC(C)(C(O)C(=O)NCCC(=O)NCCS)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)N2(c3(c(N=C2)c(N
COA-GROUP             InChI=1/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)4
           C1(OC(C(C(O)1)OP(=O)(O)O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS)(n2(c3(c(nc2)c(N)ncn3)))
COA-OXALATE           InChI=1/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,4
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(O)=O)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(c
           CC3(CC(N)=O)(C8(N2([Co+1]5711(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C4(C(C)(C(CC(N)=O)[CH](N
COB-I-ALAMIN          InChI=1/C62H89N13O14P.Co/c1-28-20-38-51-50(30(28)3)74(38)27-75(51)57-52(84)53(39(26-76)87-57
           CC8(c3(n2([Co]46(N5(C(=CC1(=N(C(C(=C1CC(O)=O)CCC(O)=O)=Cc2c(c3CC(O)=O)CCC(O)=O)4))C(CCC(O)=O)C(C)(CC
COBALT-FACTOR-III InChI=1/C43H48N4O16.Co/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)4
           CC8(CC(O)=O)(C4(N7([Co]35(n1(c(c(CCC(O)=O)c(CC(O)=O)c1C=C2(C(C)(CC(O)=O)C(C(=N23)C=4)CCC(O)=O))C=C6(N
                      InChI=1/C42H46N4O16.Co/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(4
COBALT-SIROHYDROCHLORIN
COBINAMIDE            InChI=1/C48H73N11O8.Co/c1-23(60)22-55-38(67)16-17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)
           CC3(C6(N2([Co+2]48(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C7(N([CH](C5(C(CC(N)=O)(C)C(C(=N45)
COCL2      Cl[Co]Cl InChI=1/2ClH.Co/h2*1H;/q;;+2/p-2
                      InChI=1/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3
CODEINE C1(N(C)[CH]3(C2(C5(C1)(C(C(O)C=C2)Oc4(c(OC)ccc(C3)c45)))))
CODEINONE             InChI=1/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3
           C1(N(C)[CH]3(C2(C5(C1)(C(C(=O)C=C2)Oc4(c(OC)ccc(C3)c45)))))
COFORMYCIN            InChI=1/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-1
           C1(OC(CO)C(O)C(O)1)N2(C3(=C(N=C2)C(O)CNC=N3))
COLUMBAMINE           InChI=1/C20H20NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)2
           C3(=N1(C(C2(C(CC1)=CC(OC)=C(C=2)O))=CC4(=C3C(OC)=C(C=C4)OC)))
           C(O)C=Cc1(cc(OC)c(O)cc1)
CONIFERYL-ALCOHOL InChI=1/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3
           C(=O)C=Cc1(cc(OC)c(O)cc1)
CONIFERYL-ALDEHYDE InChI=1/C10H10O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-7,12H,1H3
           [CH3]c1(c5([nH]c(c1[CH2][CH2]C(=O)[OH])[CH2]c2([nH]c(c(c2[CH3])[CH2][CH2]C(=O)[OH])[CH2]c3([nH]c(c(c3[CH3
COPROPORPHYRINOGEN_I  InChI=1/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)2
           Cc5(c(CCC(=O)O)c4(Cc1(nc(c(C)c1CCC(=O)O)Cc2(nc(c(c2C)CCC(=O)O)Cc3(c(C)c(c(n3)Cc(n4)5)CCC(O)=O)))))
COPROPORPHYRINOGEN_IIIInChI=1/C36H44N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)2
           [CH3]c1(c5([nH]c(c1[CH2][CH2]C(=O)[OH])=[CH]C2(=NC(C(=C2[CH3])[CH2][CH2]C(=O)[OH])=[CH]c3([nH]c(c(c3[CH3
COPROPORPHYRIN_I InChI=1/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-26-19(3)23(7-11-35(45)46)31(39-26)16-28-20(4)2
           [CH3]c1(c5([nH]c(c1[CH2][CH2]C(=O)[OH])=[CH]C2(=NC(C(=C2[CH3])[CH2][CH2]C(=O)[OH])=[CH]c3([nH]c(c(c3[CH3
COPROPORPHYRIN_III InChI=1/C36H38N4O8/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)2
           C(O)C(=O)C1(C2(C(CC1)C3(C(C(C2)O)C4(C(CC3)=CC(=O)CC4)(C)))(C))
CORTICOSTERONE        InChI=1/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)2
                      InChI=1/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(1
CORTISOL CC12(C(CCC(C(=O)CO)(O)1)C3(C(C(C2)O)C4(C)(C(CC3)=CC(=O)CC4)))
                      InChI=1/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(1
CORTISONECC12(C(CCC(O)(C(=O)CO)1)C3(C(C(=O)C2)C4(C(CC3)=CC(=O)CC4)(C)))
                      InChI=1/C21H36O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(1
CORTOL CC14(C(C(O)CO)(O)CCC(C2(C(C(O)C1)C3([CH](CC2)CC(O)CC3)(C)))4)
           C          InChI=1/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(1
CORTOLONE C14(C(C(O)CO)(O)CCC(C2(C(C(=O)C1)C3([CH](CC2)CC(O)CC3)(C)))4)
           C          InChI=1/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14
CORYDALINEC2(c1(c(c(OC)c(OC)cc1)CN3([CH]2c4(c(CC3)cc(OC)c(c4)OC))))
           C(=O)C=Cc1(ccc(O)cc1)
COUMARALDEHYDE InChI=1/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H
COUMARATE             InChI=1/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)
           C(O)(=O)C=Cc1(ccc(O)cc1)
                      InChI=1/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
COUMARINc1(ccc2(c(o1)cccc2))(=O)
           C(O)C=Cc1(ccc(O)cc1)
COUMARYL-ALCOHOL InChI=1/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1(ccc(O)cc1))COP(=O)(O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O)(O
COUMARYL-COA          InChI=1/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-10-9-20(39)32-11-12-59-21(40)8-5-17-3-6-18(38)7
CPD-0                 InChI=1/C10H8O4/c1-5-2-7(12)10-8(13)3-6(11)4-9(10)14-5/h2-4,11,13H,1H3
           CC1(=CC(=O)c2(c(O1)cc(O)cc2O))
CPD-10                InChI=1/C36H52N7O19P/c1-15-26-16(2)42(14-43(26)27-31(38-15)40-36(37)41-33(27)54)18-5-3-17(4-
           c13(c(c(=O)nc(N)n1)N2(CN(C(C)[CH]2[CH](C)N3)c4(ccc(cc4)C[CH](O)[CH](O)[CH](O)COC5(OC(C(O)C(O)5)COP(=O)([
                      InChI=1/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
CPD-1001 CC(C)C1(=CC=C(C)C=C1)
                      InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-6,8,11H,7H2,1-2H3
CPD-1002 CC(C)C1(=CC=C(CO)C=C1)
                      InChI=1/C10H12O/c1-8(2)10-5-3-9(7-11)4-6-10/h3-8H,1-2H3
CPD-1003 CC(C)C1(=CC=C(C=O)C=C1)
CPD-1004              InChI=1/C10H12O2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H,11,12)
           CC(C)C1(=CC=C(C(=O)O)C=C1)
CPD-1005              InChI=1/C10H14O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,8-9,11-12H,1-2H3,(H,13,14)
           C(O)(=O)C1(C(O)C(O)C(=CC=1)C(C)C)
CPD-1006              InChI=1/C10H12O4/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5,11-12H,1-2H3,(H,13,14)
           C(=O)(O)C1(C(O)=C(O)C(C(C)C)=CC=1)
CPD-1007              InChI=1/C10H12O6/c1-5(2)7(11)4-3-6(9(13)14)8(12)10(15)16/h3-5,12H,1-2H3,(H,13,14)(H,15,16)
           C(=O)(O)C(=C(O)C(=O)O)C=CC(=O)C(C)C
CPD-1008              InChI=1/C9H12O4/c1-6(2)7(10)4-3-5-8(11)9(12)13/h3-6,11H,1-2H3,(H,12,13)
           CC(C)C(=O)C=CC=C(O)C(=O)O
CPD-101               InChI=1/C6H10O2/c7-6-4-2-1-3-5-8-6/h1-5H2
           C1(CCCCCO1)(=O)
CPD-102               InChI=1/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)
           C(O)CCCCC(O)=O
CPD-1021              InChI=1/C22H38N4O9/c1-3-4-5-6-7-10-20(30)26(35)14-9-12-24-19(29)16-22(33,21(31)32)15-18(28)23
           CC(=O)N(O)CCCNC(=O)CC(O)(C(=O)O)CC(=O)NCCCN(O)C(=O)C=CCCCCC
CPD-1022   C(NO)CCN InChI=1/C3H10N2O/c4-2-1-3-5-6/h5-6H,1-4H2
CPD-1023              InChI=1/C5H12N2O2/c1-5(8)7(9)4-2-3-6/h9H,2-4,6H2,1H3
           C(CCN)N(O)C(C)=O
CPD-1024              InChI=1/C11H18N2O8/c1-7(14)13(21)4-2-3-12-8(15)5-11(20,10(18)19)6-9(16)17/h20-21H,2-6H2,1H3,
           CC(=O)N(O)CCCNC(=O)CC(O)(C(=O)O)CC(=O)O
CPD-103               InChI=1/C8H8O2/c9-7-10-6-8-4-2-1-3-5-8/h1-5,7H,6H2
           C(OC=O)c1(ccccc1)
CPD-104               InChI=1/C14H8N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2
           C(=O)(O)c1(cc2(c([nH]1)c3(c(c(O)c(O)2)nc(C(O)=O)cc3C(=O)O)))
CPD-1041              InChI=1/C8H9NO2/c10-8-3-1-7(2-4-8)5-6-9-11/h1-4,6,10-11H,5H2
           C(=NO)Cc1(ccc(O)cc1)
CPD-1042              InChI=1/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-
           C(#N)[CH](c1(ccc(O)cc1))OC2(C(O)C(O)C(O)C(O2)CO)
CPD-105               InChI=1/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
           C(O)(=O)C(O)c1(ccc(O)cc1)
CPD-106               InChI=1/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
           C(O)(=O)C(O)c1(ccc(O)cc1)
CPD-1061              InChI=1/C16H21N3O3/c17-13(16(21)22)6-3-4-8-18-15(20)9-11-10-19-14-7-2-1-5-12(11)14/h1-2,5,7,10
           C(=O)(NCCCCC(N)C(=O)O)Cc1(c[nH]c2(c1cccc2))
CPD-1063              InChI=1/C6H13O7PS/c1-15-3-5(8)6(9)4(7)2-13-14(10,11)12/h5-6,8-9H,2-3H2,1H3,(H2,10,11,12)
           C(SC)C(O)C(O)C(=O)COP(O)(=O)O
CPD-1066              InChI=1/C6H14N2O2/c1-4(7)2-3-5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)
           CC(N)CCC(N)C(=O)O
CPD-1067              InChI=1/C6H14N2O2/c1-4(7)2-5(8)3-6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)
           CC(N)CC(N)CC(=O)O
CPD-1069              InChI=1/C9H8O6/c10-7(11)3-1-6(5-9(14)15)2-4-8(12)13/h1-5H,(H,10,11)(H,12,13)(H,14,15)
           C(O)(=O)C=C(C=CC(=O)O)C=CC(=O)O
CPD-107               InChI=1/C10H14N2O2/c1-11-6-2-3-9(13)8-4-5-10(14)12-7-8/h4-5,7,11H,2-3,6H2,1H3,(H,12,14)
           C1(C=CC(=CN1)C(=O)CCCNC)(=O)
CPD-1070              InChI=1/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)
           C(O)(=O)C(=O)CC(=O)C=CC(=O)O
CPD-1071              InChI=1/C7H7NO3/c1-4-6(9)2-5(3-8-4)7(10)11/h2-3,9H,1H3,(H,10,11)
           c1(c(C(=O)O)cc(O)c(C)n1)
CPD-1072              InChI=1/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3
           C=CC1(C=C(OC)C(O)=CC=1)
CPD-1074              InChI=1/C8H7NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5H2
           C(#N)Cc1(ccc(O)cc1)
CPD-1075              InChI=1/C8H8O/c1-2-7-3-5-8(9)6-4-7/h2-6,9H,1H2
           C=CC1(=CC=C(O)C=C1)
CPD-1076              InChI=1/C8H8O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
           C(O)(=O)c1(ccc(OC)cc1)
CPD-1077              InChI=1/C18H24O3/c1-18-7-6-12-11-3-2-10(19)8-14(11)16(20)9-13(12)15(18)4-5-17(18)21/h2-3,8,12-
           CC12([CH](CCC(O)1)[CH]3([CH](CC2)c4(c(C(O)C3)cc(O)cc4)))
CPD-1078              InChI=1/C15H24N3O14P2/c1-6-7(19)4-8(20)14(29-6)31-34(26,27)32-33(24,25)28-5-9-11(21)12(22)13(
           C1(C(O)CC(=O)C(C)O1)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(c(=O)nc(N)cc3))
CPD-1079              InChI=1/C6H11NO3/c7-5(6(9)10)3-1-2-4-8/h4-5H,1-3,7H2,(H,9,10)
           [CH](=O)CCCC(N)C(=O)O
CPD-108               InChI=1/C7H8O/c1-6-2-4-7(8)5-3-6/h2-5,8H,1H3
           Cc1(ccc(O)cc1)
CPD-1080              InChI=1/C10H7NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,12,14H,(H,11,13)(H,15,16)
           C(O)(=O)c1(cc(O)c2(c(n1)c(O)c(O)cc2))
CPD-1081              InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-2
           CC13([CH](CC(=O)CC1)CC[CH]2([CH]4(C(CC[CH]23)(C)[CH](CC4)[CH](C)CCCC(C)C)))
CPD-1082              InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-2
           CC13([CH](CC(=O)CC1)CC[CH]2([CH]4(C(CC[CH]23)(C)[CH](CC4)[CH](C)CCCC(C)C)))
CPD-1083              InChI=1/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,
           CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n2(c3(c(nc2)c(N
CPD-1084              InChI=1/C10H14O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,7,10H,1,4-6H2,2H3
           [CH](=O)C1(=CCC(C(=C)C)CC1)
CPD-1085              InChI=1/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(2
           C[CH](CCC(=O)O)C1(C2([CH](CC1)[CH]3([CH](CC(O)2)C4([CH](CC(O)3)CC(O)CC4)(C)))(C))
CPD-1086              InChI=1/C9H17N4O9P/c10-5-7(12-9(18)13-8(5)17)11-1-3(14)6(16)4(15)2-22-23(19,20)21/h3-4,6,14-16
           C(C(O)C(O)C(O)COP(O)(O)=O)Nc1(c(N)c(=O)[nH]c([nH]1)=O)
CPD-1087              InChI=1/C27H44O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(2
           CC(C)CCC[CH](C)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2)C4(C)(C(CC3O)=CC(=O)CC4))))
CPD-1088              InChI=1/C6H10O5/c1-6(2,5(10)11)3(7)4(8)9/h3,7H,1-2H3,(H,8,9)(H,10,11)
           C(O)(=O)C(O)C(C)(C)C(=O)O
CPD-1089              InChI=1/C10H14O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9H,1,5-6H2,2-3H3
           C=C(C)C1(CC=C(C)C(=O)C1)
CPD-109               InChI=1/C7H8O/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3
           Cc1(c(O)cccc1)
CPD-1090              InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9H,1,4-5H2,2-3H3
           C=C(C)C1(C(=O)C=C(C)CC1)
CPD-1091              InChI=1/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)
           C(C(=O)O)(O)NC(N)=O
CPD-1092              InChI=1/C8H8/c1-2-8-6-4-3-5-7-8/h2-7H,1H2
           C=CC1(=CC=CC=C1)
CPD-1093               InChI=1/C5H10O4/c1-3(7)5(9)4(8)2-6/h4-6,8-9H,2H2,1H3
           CC(=O)C(O)C(O)CO
CPD-1094               InChI=1/C10H20N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-
           [CH3]c1([cH]n(c(=O)nc([NH2])1)[CH]2(O[CH]([CH]([OH])[CH2]2)[CH2]OP([OH])(=O)OP([OH])(=O)OP([OH])(=O)[OH]
CPD-1095               InChI=1/C16H12O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-8,17-18H,1
           c1(ccc(cc1)OC)C2(Oc3(c(C(C=2)=O)c(O)cc(c3)O))
CPD-1096   C(CN)SC(=O)CInChI=1/C4H9NOS/c1-4(6)7-3-2-5/h2-3,5H2,1H3
CPD-1097               InChI=1/C13H16N2O4/c14-11(16)7-6-10(13(18)19)15-12(17)8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,14,1
           C(=O)(O)C(CCC(N)=O)NC(=O)Cc1(ccccc1)
CPD-1099               InChI=1/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21
           C1(OC(CO)C(O)C(O)C(O)1)OCC2(OC(C(O)C(O)C(O)2)OC3(C(O)C(O)C(O3)CO)(CO))
CPD-11                 InChI=1/C36H50N7O19P/c1-15-26-16(2)42(14-43(26)27-31(38-15)40-36(37)41-33(27)54)18-5-3-17(4-
           c13(c(c(=O)nc(N)n1)[N+1]2(=CN(C(C)[CH]2[CH](C)N3)c4(ccc(cc4)C[CH](O)[CH](O)[CH](O)COC5(OC(C(O)C(O)5)COP(
CPD-110                InChI=1/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10)
           C(O)(=O)c1(c(O)cccc1)
CPD-1102               InChI=1/C16H19NO7/c18-7-11-13(20)14(21)15(22)16(23-11)24-12(19)5-8-6-17-10-4-2-1-3-9(8)10/h1-
           c1(c(c2(c([nH]1)cccc2))CC(=O)OC3(C(O)C(O)C(O)C(O3)CO))
CPD-1103               InChI=1/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-
           C1(OC(CO)C(O)C(O)C(O)1)OC(C#N)c2(ccc(O)cc2)
CPD-1104   C(N)CCNCCCN InChI=1/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
CPD-1105               InChI=1/C6H13NO5/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6,8-12H,7H2
           C1(C(O)C(O)C(O)C(O)C(O)1)(N)
CPD-1106               InChI=1/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
           C(CN)P(O)(=O)O
CPD-1107               InChI=1/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(C(O)1)OP(O)([O-1])=O)(OP(O)([O-1])=O)
CPD-111                InChI=1/C7H8O2/c1-5-3-2-4-6(8)7(5)9/h2-4,8-9H,1H3
           Cc1(c(O)c(O)ccc1)
CPD-1110               InChI=1/C10H18N3O10P2/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(22-8)4-21-25(19,20)23-24(16,17)18/
           C1(OC(C(O)C1)COP(O)(=O)OP(O)(=O)O)(n2(c(=O)nc(N)c(C)c2))
CPD-1111               InChI=1/C14H26N3O15P2/c15-9-1-2-17(14(24)16-9)13-12(23)11(22)8(31-13)5-30-34(27,28)32-33(25,2
           C(C(O)C(O)C(O)CO)OP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C(O)1)n2(c(=O)nc(N)cc2))
CPD-1112               InChI=1/C8H9NO4/c1-4-7(11)6(8(12)13)5(3-10)2-9-4/h2,10-11H,3H2,1H3,(H,12,13)
           c1(c(CO)c(C(=O)O)c(O)c(C)n1)
CPD-1114               InChI=1/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)
           C(O)C(O)C(O)C(O)C(=O)O
CPD-1116               InChI=1/C8H14O5/c1-5(9)3-8(12)13-6(2)4-7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)
           CC(CC(=O)O)OC(=O)CC(O)C
CPD-1117               InChI=1/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)
           C(O)C(O)C(O)C(O)C(=O)O
CPD-1118               InChI=1/C14H10O9/c15-7-2-6(3-8(16)11(7)18)14(22)23-10-4-5(13(20)21)1-9(17)12(10)19/h1-4,15-19H
           C(c1(cc(O)c(O)c(O)c1))(=O)Oc2(cc(C(=O)O)cc(O)c(O)2)
CPD-112                InChI=1/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
           Cc1(cc(O)ccc1)
CPD-1121               InChI=1/C6H11O8P/c7-1-2(8)4(10)6-5(3(1)9)13-15(11,12)14-6/h1-10H,(H,11,12)
           C1(O)(C(O)C2(C(C(O)C1O)OP(O)(O2)=O))
CPD-1122               InChI=1/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12
           C1(OC(COS(O)(=O)=O)C(O)C(O)C1NS(O)(=O)=O)(O)
CPD-1124               InChI=1/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)
           C1(C(NS(=O)(=O)O)CCCC1)
CPD-1125               InChI=1/C20H27NO11/c21-6-10(9-4-2-1-3-5-9)30-20-18(28)16(26)14(24)12(32-20)8-29-19-17(27)15(2
           C1(OC(C(O)C(O)C(O)1)COC2(OC(CO)C(O)C(O)C(O)2))(OC(C#N)c3(ccccc3))
CPD-1126               InChI=1/C5H8N2O4/c6-2-7-3(5(10)11)1-4(8)9/h2-3H,1H2,(H2,6,7)(H,8,9)(H,10,11)
           C(=O)(O)C(CC(O)=O)NC=N
CPD-1127               InChI=1/C9H10N4O4/c1-3(14)6(15)4-2-10-7-5(11-4)8(16)13-9(17)12-7/h3,14H,2H2,1H3,(H3,10,12,13,
           CC(O)C(=O)C1(=Nc2(c(NC1)nc(=O)nc2=O))
CPD-1128               InChI=1/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h3,7H,1-2H2,(H,8,9)
           C1(N=C(C(=O)O)CC(O)1)
CPD-113                InChI=1/C10H14N2O3/c1-11-6-2-3-8(13)7-4-5-9(14)12-10(7)15/h4-5,11H,2-3,6H2,1H3,(H2,12,14,15)
           C(NC)CCC(=O)C1(=C(O)N=C(O)C=C1)
CPD-1130               InChI=1/C6H10O5/c1-2-3(5(8)9)4(7)6(10)11/h3-4,7H,2H2,1H3,(H,8,9)(H,10,11)
           C(=O)(O)C(CC)C(O)C(=O)O
CPD-1131               InChI=1/C8H6O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-5H,(H,10,11)
           [CH](=O)c1(c(C(=O)O)cccc1)
CPD-1132               InChI=1/C6H12O2/c1-3-5(7)6(8)4-2/h5,7H,3-4H2,1-2H3
           CCC(O)C(=O)CC
CPD-1133               InChI=1/C6H8O5/c7-2-1-3(8)5(10)6(11)4(2)9/h2,4,6-7,9,11H,1H2
           C1(C(O)C(O)C(O)C(=O)C(=O)1)
CPD-1134               InChI=1/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)
           C(O)C(O)CC(=O)C(=O)O
CPD-1135   C(O)=CC(O)=OInChI=1/C3H4O3/c4-2-1-3(5)6/h1-2,4H,(H,5,6)
CPD-1136               InChI=1/C7H8O6/c1-3(6(10)11)4(7(12)13)2-5(8)9/h2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
           C(O)(=O)CC(C(=O)O)=C(C)C(=O)O
CPD-1137               InChI=1/C26H40N7O19P3S/c1-13(25(39)40)8-16(35)56-7-6-28-15(34)4-5-29-23(38)20(37)26(2,3)10-49
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC
CPD-1141               InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2
           C1(C(O)C(O)C(O)C(O1)CO)OC2(=CC=C(O)C=C2)
CPD-1142               InChI=1/C13H18O7/c14-5-7-2-1-3-8(4-7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2
           C(O)c1(cc(ccc1)OC2(C(O)C(O)C(O)C(O2)CO))
CPD-1162               InChI=1/C12H17O10P/c13-6-1-3-7(4-2-6)21-12-11(16)10(15)9(14)8(22-12)5-20-23(17,18)19/h1-4,8-16
           C(OP(O)(O)=O)C1(OC(C(O)C(O)C1O)Oc2(ccc(O)cc2))
CPD-1181               InChI=1/C13H19O10P/c14-5-7-3-1-2-4-8(7)22-13-12(17)11(16)10(15)9(23-13)6-21-24(18,19)20/h1-4,9
           [CH2]([OH])c1(c([cH][cH][cH][cH]1)O[CH]2(O[CH]([CH]([OH])[CH]([OH])[CH]([OH])2)[CH2]OP([OH])(=O)[OH]))
CPD-12                 InChI=1/C7H12O7/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12/h2-5,7-10H,1H3,(H,11,12)
           [CH]1(O[CH3])(O[CH](C([OH])=O)[CH]([OH])[CH]([OH])[CH]([OH])1)
CPD-121                InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
           C(O)(=O)C(O)c1(ccccc1)
CPD-122                InChI=1/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11)
           C(O)(=O)C(O)c1(ccccc1)
CPD-123                InChI=1/C5H5NO2/c7-4-2-1-3-5(8)6-4/h1-3H,(H2,6,7,8)
           C1(O)(=NC(O)=CC=C1)
CPD-124                InChI=1/C5H11NO2/c1-6-4-2-3-5(7)8/h6H,2-4H2,1H3,(H,7,8)
           C(=O)(O)CCCNC
CPD-1241               InChI=1/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)
           C1(OC(COP(O)(=O)O)C(O)C(O)C(O)1)(O)
CPD-1242               InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-3,5-8,10-11H,1H2
           C1(C(O)C(=O)C(O)C(O1)CO)(O)
CPD-1243               InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H
           C1(C(O)C(O)C(O)C(O1)CO)OCC2(C(O)C(O)C(O)C(O)O2)
CPD-1244               InChI=1/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21
           C(O)C1(C(C(O)C(O)C(O1)O)OC2(OC(C(O)C(O)C2O)COP(O)(O)=O))
CPD-125                InChI=1/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)
           C1(O)(N=CC(=CC=1)C2(N(C)CCC2))
CPD-1281               InChI=1/C11H22NO7PS/c1-8(19-20(16,17)18)10(11(14)15)12-9(13)6-4-2-3-5-7-21/h8,10,21H,2-7H2,1H
           C(=O)(O)C(C(C)OP(=O)(O)O)NC(=O)CCCCCCS
CPD-1282               InChI=1/C13H26NO10PS3/c1-10(24-25(18,19)20)12(13(16)17)14-11(15)6-4-2-3-5-7-26-27-8-9-28(21,2
           C(=O)(O)C(C(C)OP(=O)(O)O)NC(=O)CCCCCCSSCCS(=O)(O)=O
CPD-13                 InChI=1/C12H13NO9/c14-7-8(15)10(11(17)18)22-12(9(7)16)21-6-3-1-5(2-4-6)13(19)20/h1-4,7-10,12,1
           C(=O)(O)C1(OC(C(O)C(O)C1O)Oc2(ccc(N(=O)=O)cc2))
CPD-1301               InChI=1/C29H37N9O11/c30-29-37-23-22(25(43)38-29)33-16(13-32-23)12-31-15-5-3-14(4-6-15)24(42)
           C(C1(CNc2(c([NH]1)c(=O)[nH]c(N)n2)))Nc3(ccc(cc3)C(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CCC=
CPD-1302               InChI=1/C30H39N9O11/c1-39-17(14-33-24-23(39)26(44)38-30(31)37-24)13-32-16-6-4-15(5-7-16)25(4
           C(C1(N(C)c2(c(NC1)nc(N)[nH]c2=O)))Nc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(=O)NC(C(O)=O)CCC(=O)NC(C(O)=O)CCC=O
CPD-14                 InChI=1/H2O6S4/c1-9(2,3)7-8-10(4,5)6/h(H,1,2,3)(H,4,5,6)
           O=S(=O)(O)SSS(=O)(O)=O
CPD-1401               InChI=1/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12)
           C(O)(=O)CCC=CC(=O)C(=O)O
CPD-141                InChI=1/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
           C(O)(=O)C(=O)c1(ccccc1)
CPD-142                InChI=1/C8H6O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,9H,(H,11,12)
           C(=O)(O)C(=O)c1(ccc(O)cc1)
CPD-1421               InChI=1/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3
           CC1(=C(C)C=CC=C1)
CPD-1422               InChI=1/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3
           CC1(=CC=C(C)C=C1)
CPD-143                InChI=1/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2/q-3
           C(ON(=O)[O-1])C(ON(=O)[O-1])CON(=O)[O-1]
CPD-144                InChI=1/C3H6N2O7/c6-1-3(12-5(9)10)2-11-4(7)8/h3,6H,1-2H2/q-2
           C(ON([O-1])=O)C(CO)ON([O-1])=O
CPD-145                InChI=1/C3H6N2O7/c6-3(1-11-4(7)8)2-12-5(9)10/h3,6H,1-2H2/q-2
           C(ON([O-1])=O)C(O)CON([O-1])=O
CPD-146                InChI=1/C3H7NO5/c5-1-3(2-6)9-4(7)8/h3,5-6H,1-2H2/q-1
           C(O)C(CO)ON([O-1])=O
CPD-147                InChI=1/C3H7NO5/c5-1-3(6)2-9-4(7)8/h3,5-6H,1-2H2/q-1
           C(C(O)CO)ON([O-1])=O
CPD-148    CCCCCCCC InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
CPD-149                InChI=1/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
           C(O)(=O)C=C(C(O)=O)CCC(=O)O
CPD-15                 InChI=1/C6H4Cl4/c7-3-1-4(8)6(10)2-5(3)9/h1-3,6H
           C1(C(Cl)C(Cl)=CC(Cl)C(Cl)=1)
CPD-150                InChI=1/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)
           C(O)(=O)C(CC(=O)O)(O)CCC(=O)O
CPD-151                InChI=1/C7H10O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3,5,10H,1-2H2,(H,8,9)(H,11,12)(H,13,14)
           C(O)(=O)C(C(O)C(O)=O)CCC(=O)O
CPD-152                InChI=1/C8H12O7/c9-5(10)2-1-3-8(15,7(13)14)4-6(11)12/h15H,1-4H2,(H,9,10)(H,11,12)(H,13,14)
           C(=O)(O)C(CC(O)=O)(O)CCCC(=O)O
CPD-153                InChI=1/C8H10O6/c9-6(10)3-1-2-5(8(13)14)4-7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)(H,13,14)
           C(O)(=O)C(=CC(O)=O)CCCC(O)=O
CPD-1541   N(O)=NO InChI=1/H2N2O2/c3-1-2-4/h(H,1,4)(H,2,3)
CPD-155                InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h1-6,8-11H
           C1(OC(C=O)C(O)C(O)C(O)1)(O)
CPD-156                InChI=1/C10H7NO7/c12-5(9(15)16)2-1-4-6(13)3-7(14)11-8(4)10(17)18/h1-3H,(H,15,16)(H,17,18)(H2,1
           c1(cc(O)c(c(n1)C(=O)O)C=CC(=O)C(=O)O)(O)
CPD-157                InChI=1/C9H10O6/c10-6(4-5-8(12)13)2-1-3-7(11)9(14)15/h1-3,11H,4-5H2,(H,12,13)(H,14,15)
           C(O)(=O)CCC(=O)C=CC=C(O)C(=O)O
CPD-158                InChI=1/C6H5NO4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H
           c1(cc([N+1](=O)[O-1])cc(O)c(O)1)
CPD-159                InChI=1/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)
           CC(N)CC(=O)CC(=O)O
CPD-16                 InChI=1/C6H6O3/c7-4-1-5(8)3-6(9)2-4/h1-3,7-9H
           C1(=CC(O)=CC(=C1)O)(O)
CPD-161                InChI=1/C7H15N3O3/c8-5(6(11)12)3-1-2-4-10-7(9)13/h5H,1-4,8H2,(H,11,12)(H3,9,10,13)
           C(O)(=O)C(N)CCCCNC(=O)N
CPD-162                InChI=1/C15H14O10/c16-9-3-1-7(5-10(9)17)2-4-12(20)25-13(15(23)24)8(14(21)22)6-11(18)19/h1-5,8,
           C(=O)(OC(C(O)=O)C(C(=O)O)CC(=O)O)C=Cc1(cc(O)c(O)cc1)
CPD-1621               InChI=1/C6H5BrO2/c7-5-2-1-4(8)3-6(5)9/h1-3,8-9H
           c1(c(O)cc(O)c(c1)Br)
CPD-165                InChI=1/C16H19NO7/c18-10(5-7-6-17-9-4-2-1-3-8(7)9)24-16-14(22)12(20)11(19)13(21)15(16)23/h1-4
           c1(c(c2(c([nH]1)cccc2))CC(=O)OC3(C(O)C(O)C(O)C(O)C3O))
CPD-166                InChI=1/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-7
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-167                InChI=1/C88H146NO9P/c1-67(2)34-19-35-68(3)36-20-37-69(4)38-21-39-70(5)40-22-41-71(6)42-23-43
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-169                InChI=1/C24H42O21/c25-1-6-10(28)14(32)17(35)21(41-6)39-3-8-12(30)16(34)19(37)23(43-8)45-24(5-
           C1(OC(CO)C(O)C(O)C(O)1)OCC2(OC(C(O)C(O)C(O)2)OC3(OC(C(O)C(O)3)COC4(C(O)C(O)C(O)C(O4)CO))(CO))
CPD-17                 InChI=1/C6H8O3/c7-4-1-5(8)3-6(9)2-4/h1,6-7,9H,2-3H2
           C1(=O)(CC(O)CC(O)=C1)
CPD-170                InChI=1/C24H42O21/c25-1-6-10(29)14(33)17(36)21(40-6)39-4-9-12(31)15(34)18(37)22(42-9)43-19-16
           C1(C(O)C(O)C(O)C(O1)CO)OCC2(OC(C(O)C(O)C(O)2)OC3(C(OC(CO)C(O)C(O)3)OC4(C(O)C(O)C(O4)CO)(CO)))
CPD-1701               InChI=1/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3
           C1(C(OC)C(O)C(O)C(O)C(O)1)(O)
CPD-171                InChI=1/C86H143O9P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-7
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-1722               InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9-10,13,15H,5-8H2,1-4H3
           CC1(=C2(C(C(CC1)C(C)C)C=C(C)CC2))
CPD-173                InChI=1/C7H8O2/c8-5-6-3-1-2-4-7(6)9/h1-4,8-9H,5H2
           C(O)c1(c(O)cccc1)
CPD-174                InChI=1/C15H21N5O5/c1-8(4-24-15-12(23)11(22)9(21)5-25-15)2-3-16-13-10-14(18-6-17-10)20-7-19-1
           CC(COC1(C(O)C(O)C(O)CO1))=[CH]CNc3(c2(c([nH]cn2)ncn3))
CPD-175                InChI=1/C85H141O8P/c1-66(2)33-18-34-67(3)35-19-36-68(4)37-20-38-69(5)39-21-40-70(6)41-22-42-7
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-176                InChI=1/C15H9I3O5/c16-9-6-8(1-2-12(9)19)23-14-10(17)3-7(4-11(14)18)5-13(20)15(21)22/h1-4,6,19H
           C(=O)(O)C(=O)Cc1(cc(I)c(c(c1)I)Oc2(cc(I)c(O)cc2))
CPD-1763               InChI=1/C15H24/c1-10-7-12-8-14(3,4)9-15(12)11(2)5-6-13(10)15/h7,11-13H,5-6,8-9H2,1-4H3
           CC2([CH]1(C3(C(C)CC1)([CH](C=2)CC(C)(C3)C)))
CPD-1771               InChI=1/C9H16N2O5/c1-5(12)11-7(9(15)16)4-2-3-6(10)8(13)14/h6-7H,2-4,10H2,1H3,(H,11,12)(H,13,14
           CC(=O)NC(C(O)=O)CCCC(N)C(O)=O
CPD-1772   C(N)C=O InChI=1/C2H5NO/c3-1-2-4/h2H,1,3H2
CPD-1774               InChI=1/C6H7NO4/c1-3(5(8)9)2-4(7)6(10)11/h7H,1-2H2,(H,8,9)(H,10,11)
           C=C(C(O)=O)CC(=N)C(=O)O
CPD-1776               InChI=1/C28H39ClN7O17P3S/c1-28(2,22(39)25(40)32-8-7-18(37)31-9-10-57-27(41)15-3-5-16(29)6-4-1
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)c1(ccc(Cl)cc1))COP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=O)N3(c4(c(N
CPD-1777               InChI=1/C16H22O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-5,7,
           C(O)C=Cc1(cc(OC)c(cc1)OC2(C(O)C(O)C(O)C(O2)CO))
CPD-178                InChI=1/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)
           C1(C(OP(O)(=O)O)C(OP(O)(=O)O)C(OP(O)(=O)O)C(C(O)1)OP(O)(=O)O)(O)
CPD-1782               InChI=1/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)
           C(N)C(N)C(O)=O
CPD-1783               InChI=1/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h1,3,6-8H,2H2,(H,9,10)
           C(O)C(O)C=C(O)C(O)=O
CPD-1784               InChI=1/C5H8O5/c6-2-3(7)1-4(8)5(9)10/h3,6-7H,1-2H2,(H,9,10)
           C(O)C(O)CC(=O)C(O)=O
CPD-1786               InChI=1/C8H7ClO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
           C(O)(=O)CC1(C=CC(Cl)=CC=1)
CPD-1789               InChI=1/C5H6O5/c6-1-2-3(7)4(8)5(9)10-2/h2,6-8H,1H2
           C(O)C1(C(O)=C(O)C(O1)=O)
CPD-1790               InChI=1/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2
           C(O)C2(C(OC1(OC(CO)C(O)C(O)C1O))C(O)C(O)C(O2)OC3(C(CO)OC(O)C(O)C3O))
CPD-18                 InChI=1/C39H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC
CPD-180                InChI=1/C6H14NO8P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-6,8-11H,7H2,(H2,12,13,14)
           C1(C(O)C(O)C(OP(O)(=O)O)C(O)C(O)1)(N)
CPD-1803               InChI=1/C13H21NO10/c1-5(16)14-9-7(18)3-13(22,12(20)21)24-11(9)10(8(19)4-15)23-6(2)17/h7-11,15
           CC(=O)NC1(C(C(OC(C)=O)C(O)CO)OC(O)(C(O)=O)CC1O)
CPD-181                InChI=1/C12H10O4/c1-7-5-12(14)16-11-6-9(15-8(2)13)3-4-10(7)11/h3-6H,1-2H3
           C(=O)(C)Oc1(cc2(c(cc1)C(C)=CC(=O)O2))
CPD-182                InChI=1/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
           C1(C=C(C)c2(c(O1)cc(O)cc2))(=O)
CPD-1821               InChI=1/C8H21N3/c9-5-1-3-7-11-8-4-2-6-10/h11H,1-10H2
           C(N)CCCNCCCCN
CPD-1822               InChI=1/C15H10O10S/c16-7-4-10(19)12-11(5-7)24-14(6-1-2-8(17)9(18)3-6)15(13(12)20)25-26(21,22)2
           c2(c(O)c1(c(=O)c(OS(=O)(O)=O)c(oc1cc2O)c3(cc(O)c(O)cc3)))
CPD-1823               InChI=1/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)
           C(O)(=O)[CH](N)Cc1(ncn(c1)C)
CPD-1825               InChI=1/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)
           C1(OC(OP(O)(=O)O)C(O)C(O)C(O)1)
CPD-1826               InChI=1/C11H13N4/c1-9-13-7-10(11(12)14-9)8-15-5-3-2-4-6-15/h2-7H,8H2,1H3,(H2,12,13,14)/q+1
           c1(C)(ncc(c(N)n1)C[n+1]2(ccccc2))
CPD-1827               InChI=1/C31H50N7O17P3S/c1-18(2)7-6-8-19(3)13-22(40)59-12-11-33-21(39)9-10-34-29(43)26(42)31(
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=C(C)CCC=C(C)C)COP(O)(=O)OP(=O)(O)OCC1(OC(C(O)C1OP(=O)(O)O)n2(c3(
CPD-1828               InChI=1/C16H23N5O17P2/c17-16-19-11-4(12(27)20-16)18-2-21(11)13-8(25)5(22)3(35-13)1-34-39(30,
           C(OP(=O)(O)OP(=O)(O)OC1(C(O)C(O)C(O)C(O1)C(O)=O))C2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N)))
CPD-1829               InChI=1/C62H89N13O14P.Co/c1-28-20-38-51-50(30(28)3)74(38)27-75(51)57-52(84)53(39(26-76)87-57
           CC3(CC(N)=O)(C8(N2([Co+2]5711(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C4(C(C)(C(CC(N)=O)[CH](N
CPD-183                InChI=1/C7H6O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,8-10H,(H,11,12)
           C(O)(=O)c1(cc(O)c(O)c(O)c1)
CPD-1831               InChI=1/C4H2O4/c5-3(6)1-2-4(7)8/h(H,5,6)(H,7,8)
           C(O)(=O)C#CC(O)=O
CPD-1832               InChI=1/C18H32O4/c1-2-3-4-5-6-8-11-14-17(22-21)15-12-9-7-10-13-16-18(19)20/h6,8,14,21H,2-5,7,9
           CCCCCC=CCC=C(OO)CCCCCCCC(O)=O
CPD-1833               InChI=1/C28H46O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-12-16-28(30)17-21(29)11-15-27(28,6)25(22)
           CC(C)C(C)C=CC(C)C1(C2(C(CC1)C3(C(CC2)C4(C(O)(CC=3)CC(O)CC4)(C)))(C))
CPD-1834               InChI=1/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)1
           CC(C(O)=O)CCC[CH](C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C)([CH](CC3O)CC(O)CC4))))
CPD-1836               InChI=1/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(2
           CC(C(O)=O)CCC[CH](C)C1(C2(C)(C(CC1)C3(C(CC2O)C4(C)([CH](CC3O)CC(O)CC4))))
CPD-184                InChI=1/C7H4O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2H,(H,9,10)(H,11,12)
           C1(=O)(C=C(C(=O)O)C=C(O1)C(=O)O)
CPD-1843   CC(O)CC(=O)OInChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
CPD-185                InChI=1/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1-2,8H,(H,9,10)(H,11,12)(H,13,14)
           C(O)(=O)C(O)=CC(C(=O)O)=CC(=O)O
CPD-186                InChI=1/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14)
           C(O)(=O)C(=O)C=C(C(=O)O)CC(=O)O
CPD-1861               InChI=1/C10H10N2OS/c13-12-10(14)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11,13H,5H2,(H,12,14)
           C([SH])(=NO)Cc1(c[nH]c2(c1cccc2))
CPD-1862               InChI=1/C16H20N2O6S/c19-7-10-13(20)14(21)15(22)24-16(10)25-12(18-23)5-8-6-17-11-4-2-1-3-9(8)1
           C(O)C1(C(OC(O)C(O)C(O)1)SC(=NO)Cc2(c3(c([nH]c2)cccc3)))
CPD-1863               InChI=1/C16H20N2O9S2/c19-7-10-13(20)14(21)15(22)26-16(10)28-12(18-27-29(23,24)25)5-8-6-17-11
           C(SC1(C(CO)C(O)C(O)C(O)O1))(=NOS(O)(=O)=O)Cc2(c[nH]c3(ccccc23))
CPD-187                InChI=1/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)
           C(O)(=O)C(=O)CC(C)(O)C(=O)O
CPD-188                InChI=1/C55H90O/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50(7
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
CPD-1881               InChI=1/C10H10N2O4S2/c13-18(14,15)16-12-10(17)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,17
           c1(c(CC([SH])=NOS(O)(=O)=O)c2(c([nH]1)cccc2))
CPD-19                InChI=1/C6H10O4/c1-4(7)2-5(8)3-6(9)10/h5,8H,2-3H2,1H3,(H,9,10)
           C(=O)(O)CC(O)CC(=O)C
CPD-190               InChI=1/C88H147NO12P2/c1-67(2)34-19-35-68(3)36-20-37-69(4)38-21-39-70(5)40-22-41-71(6)42-23-
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-1901              InChI=1/C17H16O7/c1-8-4-11(19)14-12(5-8)24-17(15(14)20)10(16(21)23-3)6-9(18)7-13(17)22-2/h4-7,
           CC3(=CC2(OC1(C(C(O)OC)=CC(=O)C=C(OC)1)(C(=O)C=2C(O)=C3)))
CPD-1902              InChI=1/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3
           CC1(C2(C(=O)CC1(C)C(C2)=O))(C)
CPD-1903              InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
           CC1(C)(C2(CCC1(C)C(O)C2))
CPD-1904              InChI=1/C14H12O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8,12,14-16H
           C1(c2(c(C(O)C(C=1)O)c3(c(cc2)cccc3)))
CPD-1905              InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
           CC(C)C1(C(O)CC(C)CC1)
CPD-1907              InChI=1/C17H16O7/c1-8-4-11(19)14-12(5-8)24-17(15(14)20)10(16(21)23-3)6-9(18)7-13(17)22-2/h4-7,
           C(O)(OC)C3(C1(C(=O)C2(C(O)=CC(C)=CC(O1)=2))(C(OC)=CC(=O)C=3))
CPD-1908              InChI=1/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
           CC12(C(O)CC(CC1)C(C)2C)
CPD-1909              InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
           CC(C)C1(C(=O)CC(C)CC1)
CPD-191               InChI=1/C61H102O12P2/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)O
CPD-1910              InChI=1/C16H30O6/c1-8(2)10-5-4-9(3)6-11(10)21-16-15(20)14(19)13(18)12(7-17)22-16/h8-20H,4-7H2
           CC(C)C1(C(CC(C)CC1)OC2(C(O)C(O)C(O)C(O2)CO))
CPD-1911              InChI=1/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-18,21
           CCCCCC(O)C=CC1(C(C(=O)C=C1)CCCCCCC(O)=O)
CPD-1912              InChI=1/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12-14,17
           C(O)(=O)CCCCCCC1(C(=CCC1=O)C=CC(O)CCCCC)
CPD-1913              InChI=1/C20H32O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,8-11,14,17,
           CCCCCC(O)C=CC=CCC=CCC=CCCCC(O)=O
CPD-193               InChI=1/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(O)C(O)C(O)1)(O)
CPD-194               InChI=1/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
           c1(c(OP(=O)(O)O)ccc(c1)[N+1]([O-1])=O)
CPD-1941              InChI=1/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
           C(=O)(O)C(C(O)C(=O)O)CC(O)=O
CPD-1942              InChI=1/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
           C(=O)(O)C(C(O)C(O)=O)CC(O)=O
CPD-1943              InChI=1/C8H8O6/c9-5-3-4(6(10)11)1-2-8(5,14)7(12)13/h1-3,5,9,14H,(H,10,11)(H,12,13)
           C(=O)(O)C1(=CC(O)C(O)(C(O)=O)C=C1)
CPD-1944              InChI=1/C7H12O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-6,8-9H,1-3H2,(H,10,11)
           C(=O)(O)C1(CC(O)C(O)CC1)
CPD-1945              InChI=1/C7H10O4/c8-5-2-1-4(7(10)11)3-6(5)9/h4-5,8H,1-3H2,(H,10,11)
           C(O)(=O)C1(CCC(O)C(=O)C1)
CPD-1946              InChI=1/C27H44O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,
           CC6(COC1(C(C)C2(C(O1)CC3(C2(C)CCC4(C5(C)(C(CCC34)CC(O)CC5)))))(CC6))
CPD-1947              InChI=1/C33H54O8/c1-17-7-12-33(38-16-17)18(2)26-24(41-33)14-23-21-6-5-19-13-20(8-10-31(19,3)2
           CC1(C3(C(OC21(OCC(C)CC2))CC4(C5(C(CCC3(C)4)C6(C)(C(CC5)CC(CC6)OC7(OC(CO)C(O)C(O)C7O))))))
CPD-195               InChI=1/C8H16O2/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3,(H,9,10)
           C(O)(=O)CCCCCCC
CPD-196               InChI=1/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-
           C1(OC(C(C(O)1)OP(=O)(O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC)(n2(c3(c(nc2
CPD-1961              InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6
           c3(c2(OC(c1(cc(O)c(O)cc1))C(O)Cc2c(O)cc(O)3))
CPD-1962              InChI=1/C15H14O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-6,13,15-19H,7H
           c1(ccc(O)cc1)C2(C(O)Cc3(c(O)cc(O)cc(O2)3))
CPD-1981              InChI=1/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(3
           c1(c2(c(c(O)cc(O)1)C(C(O)C(O2)c3(cc(O)c(O)cc3))c6(c5(OC(c4(cc(O)c(O)cc4))C(O)Cc5c(O)cc(O)6))))
CPD-199               InChI=1/C14H17NO4/c1-9(2)8-11(14(18)19)15-13(17)12(16)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H
           C(NC(C(O)=O)CC(C)C)(=O)C(=O)c1(ccccc1)
CPD-20                InChI=1/C27H44N7O19P3S/c1-14(35)8-15(36)9-18(38)57-7-6-29-17(37)4-5-30-25(41)22(40)27(2,3)11-
           C(CSC(=O)CC(O)CC(=O)C)NC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)
CPD-200               InChI=1/C18H35N3O13/c19-7-12(27)14(5(2-23)30-16(7)29)33-18-9(21)13(28)15(6(3-24)32-18)34-17-8
           C(O)C1(OC(C(N)C(O)C1O)OC2(C(CO)OC(C(N)C2O)OC3(C(CO)OC(O)C(N)C3O)))
CPD-2002              InChI=1/C35H39N5O11/c1-18-26(38-33(50-18)21-9-4-12-24(42)29(21)45)32(48)37-15-7-17-40(16-6-1
           [CH3][CH]1([CH](N=C(O1)c2(c([OH])c([OH])[cH][cH][cH]2))C(=O)[NH][CH2][CH2][CH2]N(C(=O)[CH]3(N=C(O[CH]3[C
CPD-201               InChI=1/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-3-5-16(36)6-4-15)
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)c4
CPD-202               InChI=1/C45H74N7O20P3S/c1-23(26-7-8-27-34-28(18-31(55)45(26,27)5)44(4)12-10-25(53)16-24(44)1
           CC([CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2O)C4(C)([CH](CC3O)CC(O)CC4)))))CCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C
CPD-2021              InChI=1/C16H26O3/c1-5-16(4)14(19-16)10-9-12(2)7-6-8-13(3)11-15(17)18/h7,11,14H,5-6,8-10H2,1-4H
           CCC1(C)(C(O1)CCC(C)=CCCC(C)=CC(O)=O)
CPD-2022              InChI=1/C8H15NO4/c1-3-4-6(8(12)13)9-5(2)7(10)11/h5-6,9H,3-4H2,1-2H3,(H,10,11)(H,12,13)
           C(=O)(O)C(CCC)NC(C)C(=O)O
CPD-203               InChI=1/C31H50N9O18P3S2/c1-31(2,25(44)28(45)34-8-7-19(41)33-9-10-62-20(42)6-4-3-5-18-21-16(12
           C2(SC([CH]1(NC(=O)N[CH]12))CCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC3(OC(C(O)C3O
CPD-204               InChI=1/C19H24O7/c1-8-5-17-7-18(8,25)4-3-10(17)19-6-9(20)13(21)16(2,15(24)26-19)12(19)11(17)14
           C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(C(O)C(O)C3)(C)[CH]4C5C(=O)O)))(O))
CPD-2041              InChI=1/C6H13NO2/c1-4(2)5(7)3-6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
           CC(C)C(N)CC(=O)O
CPD-2042              InChI=1/C15H14O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,13,15-16H,10H2
           c1(ccc(cc1)C2(Oc3(c(C(C2)O)cccc3)))
CPD-2043              InChI=1/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
           C2(C(c1(ccccc1))Oc3(c(C(=O)2)cccc3))
CPD-2044              InChI=1/C20H32O4/c1-2-3-4-5-6-10-13-18-19(24-18)16-15-17(21)12-9-7-8-11-14-20(22)23/h6-7,9-10,
           C(=O)(O)CCCC=CCC(O)C=CC1(C(O1)CC=CCCCCC)
CPD-2046              InChI=1/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,
           CCCCCC=CCC(O)C(O)C=CC(O)CC=CCCCC(=O)O
CPD-205               InChI=1/C7H12O4/c8-6(9)4-2-1-3-5-7(10)11/h1-5H2,(H,8,9)(H,10,11)
           C(O)(=O)CCCCCC(=O)O
CPD-206               InChI=1/C41H74N7O17P3S/c1-26(2)11-8-12-27(3)13-9-14-28(4)15-10-16-29(5)21-32(50)69-20-19-43-
           CC(C)CCCC(C)CCCC(C)CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)
CPD-2061   CCCI       InChI=1/C3H7I/c1-2-3-4/h2-3H2,1H3
CPD-207                InChI=1/C29H42N7O17P3S/c1-29(2,24(40)27(41)32-9-8-19(37)31-10-11-57-20(38)12-17-6-4-3-5-7-17)
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)Cc1(ccccc1))COP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=O)n3(c4(c(nc3)
CPD-208                InChI=1/C25H40N7O20P3S/c1-25(2,19(37)22(38)28-4-3-14(34)27-5-6-56-15(35)7-12(33)24(39)40)9-49
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC
CPD-209                InChI=1/C34H55N7O24P2/c1-14(28(50)38-17(7-8-22(45)46)30(52)39-18(32(53)54)6-4-5-10-35)36-29(
           CC(=O)NC3(C(OP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1O)n2(c(=O)[nH]c(=O)cc2)))OC(CO)C(O)C3OC(C)C(=O)NC(C)C(=O
CPD-210                InChI=1/C15H23N5O4/c16-11(8-9-3-5-10(21)6-4-9)13(22)20-12(14(23)24)2-1-7-19-15(17)18/h3-6,11-
           C(=O)(NC(C(O)=O)CCCNC(N)=N)C(N)Cc1(ccc(O)cc1)
CPD-211                InChI=1/C11H19N3O6S/c12-6(11(19)20)1-2-8(15)14-7(5-21)10(18)13-4-3-9(16)17/h6-7,21H,1-5,12H2,
           C(=O)(O)C(N)CCC(=O)NC(CS)C(=O)NCCC(O)=O
CPD-212                InChI=1/C20H21N7O7/c21-20-25-16-15(18(32)26-20)23-11(7-22-16)8-27(9-28)12-3-1-10(2-4-12)17(31
           C2(C(=Nc1(c(=O)[nH]c(N)nc1N2))CN([CH]=O)c3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O))
CPD-214                InChI=1/C10H11NO4/c12-9(13)6-11-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,11,14)(H,12,13)
           C(c1(ccccc1))OC(=O)NCC(=O)O
CPD-215                InChI=1/C10H20O7P2/c1-9(2)7-4-5-10(9,3)8(6-7)16-19(14,15)17-18(11,12)13/h7-8H,4-6H2,1-3H3,(H,1
           CC1(C2(C[CH](C1(C)CC2)OP(O)(=O)OP(O)(=O)O))(C)
CPD-216                InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
           C(=O)(O)C(N)Cc1(ccccc1)
CPD-217                InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
           C(N)CCC(N)C(=O)O
CPD-218                InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
           C(SC)CC(N)C(O)=O
CPD-2181               InChI=1/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(
           C(OP(O)(=O)OCC[N+1](C)(C)C)C(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC
CPD-2182               InChI=1/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(
           C(OP(O)(=O)OCC[N+1](C)(C)C)C(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC
CPD-2183               InChI=1/C37H71O8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,4
           C(OP(O)(=O)O)C(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC
CPD-2184               InChI=1/C37H69O8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,4
           C(OP(O)(=O)O)C(OC(=O)CC=CCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC
CPD-2185               InChI=1/C37H67O8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,4
           C(OP(O)(=O)O)C(OC(=O)CC=CCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC
CPD-2186               InChI=1/C37H65O8P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-36(38)43-33-35(34-44-46(40,4
           C(OP(O)(=O)O)C(OC(=O)CC=CCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCC=CCC
CPD-2187               InChI=1/C43H80O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(4
           C1(OC(CO)C(O)C(O)C(O)1)OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC
CPD-2188               InChI=1/C43H78O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(4
           C1(OC(CO)C(O)C(O)C(O)1)OCC(OC(=O)CCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC
CPD-2189               InChI=1/C43H74O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(4
           C1(OC(CO)C(O)C(O)C(O)1)OCC(OC(=O)CCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC
CPD-219                InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)
           C(O)(=O)C(N)CCCCN
CPD-2190               InChI=1/C43H70O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(4
           C1(OC(CO)C(O)C(O)C(O)1)OCC(OC(=O)CCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCC=CCC
CPD-22                 InChI=1/C36H52N7O20P/c1-15(26-16(2)39-31-27(43(26)14-44)33(55)42-36(37)41-31)38-18-5-3-17(4-
           c12(c(c(=O)nc(N)n1)N(C=O)[CH]([CH](C)N2)C(C)Nc3(ccc(cc3)C[CH](O)[CH](O)[CH](O)COC4(OC(C(O)C(O)4)COP(=O)(
CPD-220                InChI=1/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
           C(O)(=O)C(N)CCCNC(N)=N
CPD-2202               InChI=1/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-
           C(O)C(c1(ccccc1))C(=O)OC2(CC3(N(C)C(C2)C(C3)O))
CPD-2204               InChI=1/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2-,12,14,15,16)/p+
           c1(oc(cc1)C(C(=O)N)=Cc2(oc([N+1](O)=O)cc2))
CPD-2205               InChI=1/C8H9NO2/c10-8-3-1-7(2-4-8)5-6-9-11/h1-4,6,10-11H,5H2
           [CH](=NO)Cc1(ccc(O)cc1)
CPD-221                InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2
           C1(OC(CO)C(O)C(O)C(O)1)OC2(C(CO)OC(O)C(O)C(O)2)
CPD-2221               InChI=1/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3
           CC(NC)C(O)c1(ccccc1)
CPD-2222               InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
           C(=O)(O)C(O)Cc1(ccc(O)cc1)
CPD-223                InChI=1/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)
           c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)C(O)=O)))
CPD-224                InChI=1/C80H134O7P2/c1-65(2)33-18-34-66(3)35-19-36-67(4)37-20-38-68(5)39-21-40-69(6)41-22-42-
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-225                InChI=1/C6H6O6/c7-4(8)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)
           C(O)(=O)[CH]=C(C(=O)O)CC(=O)O
CPD-226                InChI=1/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)
           C1(OC(C(C(O)1)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC=C)(n2(c3(c(nc2)c(N
CPD-227                InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
           C1(C(O)C(O)C(O)C(O1)O)
CPD-228                InChI=1/C8H8O/c1-2-4-7(5-3-1)8-6-9-8/h1-5,8H,6H2
           C1(C(O1)c2(ccccc2))
CPD-2281               InChI=1/C24H42O21/c25-1-8-13(31)18(36)22(5-27,42-8)40-4-11-15(33)19(37)23(6-28,44-11)39-3-10-1
           C(O)C1(OC(C(O)C(O)1)(CO)OCC2(OC(C(O)C2O)(CO)OCC3(OC(C(O)C(O)C3O)OC4(CO)(OC(CO)C(O)C(O)4))))
CPD-229                InChI=1/C19H22O7/c1-8-6-18-7-19(8,26)4-3-10(18)9-5-11(20)14(21)17(2,16(24)25)12(9)13(18)15(22)
           CC1([CH]4(C(=CC(=O)C(O)1)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
CPD-23                 InChI=1/3Fe.3S
           [Fe]1(S2([Fe](S1)S[Fe]2))
CPD-230                InChI=1/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20
           C1(C(O)C(O)C(O)C(O1)CO)OCC2(C(O)C(O)C(O2)(O)CO)
CPD-2301               InChI=1/C5H5NO3/c7-3-1-2-4(8)6-5(3)9/h1-2,7H,(H2,6,8,9)
           C1(O)(C(O)=CC=C(N=1)O)
CPD-231                InChI=1/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8)
           CC(C)(O)C(=O)C(O)=O
CPD-232                InChI=1/C9H11NO3/c10-8(5-9(12)13)6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
           C(O)(=O)CC(N)c1(ccc(O)cc1)
CPD-233                InChI=1/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)
           C(O)(=O)CC(N)CCCN
CPD-234                InChI=1/C8H7NO5/c1-3-6(10)5(8(13)14)4(2-9-3)7(11)12/h2,10H,1H3,(H,11,12)(H,13,14)
           c1(c(C(=O)O)c(C(=O)O)c(O)c(C)n1)
CPD-2341               InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)
           C(O)C(O)C(O)C(O)C(O)C(O)=O
CPD-2342               InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,5,7-9,11H,1H2,(H,12,13)
           C(O)C(O)C(O)C(=O)C(O)C(=O)O
CPD-2343               InChI=1/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-3,5,7-8,10H,1H2,(H,11,12)(H2,1
           C(=O)(O)C(O)C(=O)C(O)C(O)COP(O)(=O)O
CPD-235                InChI=1/C3H5O6P/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H2,7,8,9)
           C(P(O)(=O)O)C(=O)C(=O)O
CPD-236                InChI=1/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21
           C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(CC(O)C3)(C)[CH]4C5C(=O)O)))(O))
CPD-237                InChI=1/C10H10N2O/c11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H2,11,13)
           c1(c(CC(N)=O)c2(c([nH]1)cccc2))
CPD-238                InChI=1/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
           C(=O)(C)Nc1(ccccc1)
CPD-239    C(S)CN      InChI=1/C2H7NS/c3-1-2-4/h4H,1-3H2
CPD-240                InChI=1/C7H6O6/c8-5(9)3-1-2-4(6(10)11)7(12)13/h1-3H,(H,8,9)(H,10,11)(H,12,13)
           C(O)(=O)C=CC=C(C(=O)O)C(=O)O
CPD-241                InChI=1/C11H8O5/c12-9(11(15)16)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,13,14)(H,15,16)
           C(O)(=O)C(=O)C=Cc1(c(C(=O)O)cccc1)
CPD-242                InChI=1/C8H8O3/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,9-10H,5H2
           C(O)C(=O)c1(ccc(O)cc1)
CPD-2421               InChI=1/C2H6N2O2/c1-4(6)3-2-5/h5H,2H2,1H3
           C[N+1]([O-1])=NCO
CPD-243                InChI=1/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,9-11H
           c1(O)(c(O)c2(c([nH]1)cccc2))
CPD-244                InChI=1/C3H7NO2/c1-3(2)4(5)6/h3H,1-2H3
           CC(C)[N+1](=O)[O-1]
CPD-245                InChI=1/C7H6O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h1-3H,(H,8,9)(H,10,11)(H,12,13)
           C(=O)(O)C(=CC(O)=O)C=CC(=O)O
CPD-246                InChI=1/C6H6O5/c7-4(6(10)11)2-1-3-5(8)9/h1,3H,2H2,(H,8,9)(H,10,11)
           C(=O)(O)C=CCC(=O)C(O)=O
CPD-2461               InChI=1/C5H8O4/c1-3(5(8)9)2-4(6)7/h3H,2H2,1H3,(H,6,7)(H,8,9)
           C(O)(=O)C(C)CC(=O)O
CPD-2462               InChI=1/C9H8O4/c10-8(11)7(9(12)13)6-4-2-1-3-5-6/h1-5,7H,(H,10,11)(H,12,13)
           C(=O)(O)C(C(=O)O)c1(ccccc1)
CPD-247                InChI=1/C7H6O6/c8-3-1-2-4(6(10)11)5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)
           C(O)(=O)C(O)=C(C(=O)O)C=C[CH]=O
CPD-248                InChI=1/C8H7NO2/c10-5-7-3-1-2-4-8(7)9-6-11/h1-6H,(H,9,11)
           [CH](=O)c1(c(N[CH]=O)cccc1)
CPD-2482               InChI=1/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)
           C1(C(N)CON1)(=O)
CPD-2483               InChI=1/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)
           C1(C(N)CON1)(=O)
CPD-249    S           InChI=1/H2S/h1H2
CPD-2501   [Hg](Cl)Cl InChI=1/2ClH.Hg/h2*1H;/q;;+2/p-2
CPD-251                InChI=1/C19H22O6/c1-9-6-18-8-19(9,25)4-3-12(18)11-5-10(20)7-17(2,16(23)24)13(11)14(18)15(21)22
           CC1([CH]4(C(=CC(=O)C1)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
CPD-252                InChI=1/C9H11NO6/c10-6(8(13)14)3-5(4-11)1-2-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16
           C(=O)(O)C(N)CC([CH]=O)=CC=C(O)C(=O)O
CPD-253                InChI=1/C9H11NO6/c10-6(8(13)14)3-5(1-2-11)4-7(12)9(15)16/h1-2,4,6,12H,3,10H2,(H,13,14)(H,15,16
           C(=O)(O)C(N)CC(=C[CH]=O)C=C(O)C(=O)O
CPD-254                InChI=1/C5H6N2O3/c8-2-3-1-6-5(10)7-4(3)9/h1,8H,2H2,(H2,6,7,9,10)
           c1(c(CO)c(=O)nc(=O)n1)
CPD-2542               InChI=1/C7H6O6/c8-5-2-3(6(9)10)1-4(13-5)7(11)12/h1-2,5,8H,(H,9,10)(H,11,12)
           C(O)(=O)C1(=CC(C(O)=O)=CC(O1)O)
CPD-255    CC(=O)C(O)C InChI=1/C4H8O2/c1-3(5)4(2)6/h3,5H,1-2H3
CPD-256                InChI=1/C7H5ClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
           C(O)(=O)c1(c(Cl)cccc1)
CPD-257                InChI=1/C7H6O5S/c8-7(9)5-1-3-6(4-2-5)13(10,11)12/h1-4H,(H,8,9)(H,10,11,12)
           C(O)(=O)c1(ccc(S(=O)(=O)O)cc1)
CPD-258                InChI=1/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H
           c1(c(O)c([N+1]([O-1])=O)ccc1)
CPD-259                InChI=1/C6H7NO/c7-5-1-3-6(8)4-2-5/h1-4,8H,7H2
           c1(c(O)ccc(N)c1)
CPD-26                 InChI=1/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-4,6-9,11H,1-2H2,(H2,12,13,14)
           C(O)C(O)C(=O)C(O)C(O)COP(=O)(O)O
CPD-260                InChI=1/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3
           C=C(C)C1(CC=C(C)C(O)C1)
CPD-261                InChI=1/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h3,10-11H,1,4-7H2,2H3
           C(O)C1(=CCC(C(=C)C)CC1)
CPD-262                InChI=1/C20H32N4O17P/c21-10-1-2-24(19(34)22-10)17-15(31)14(30)9(40-17)6-39-42(36,37)38-5-8(2
           C1(OC(C(O)C(O)1)COP(=O)(O)OC[CH](O)[CH](O)C2(C(NC(=O)CO)C(O)CC(O2)(O)C(=O)O))(n3(c(=O)nc(N)cc3))
CPD-263                InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h6,9-11H,1,4-5H2,2-3H3
           C=C(C)C1(C(O)C=C(C)CC1)
CPD-264                InChI=1/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-7-6-18(37)30-8-9-57-27(41)15-4-3-5-16(36)10-15)
           C(CSC(=O)c1(cccc(O)c1))NC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C2OP(=O)(O)O)n3(c4(c(n
CPD-265                InChI=1/C6H14N2O3/c7-5(6(9)10)3-1-2-4-8-11/h5,8,11H,1-4,7H2,(H,9,10)
           C(=O)(O)C(N)CCCCNO
CPD-266                InChI=1/C27H46O2/c1-17(2)7-6-8-18(3)21-9-10-22-25-23(12-14-27(21,22)5)26(4)13-11-20(28)15-19(2
           CC13(C(CC(O)CC1)=CC(O)[CH]2([CH]4(C(CC[CH]23)(C)[CH](CC4)[CH](C)CCCC(C)C)))
CPD-267                InChI=1/C9H11NO4/c11-7-3-1-6(2-4-7)5-8(10-14)9(12)13/h1-4,8,10-11,14H,5H2,(H,12,13)
           C(=O)(O)C(NO)Cc1(ccc(O)cc1)
CPD-2681               InChI=1/C5H6O3/c1-2-3-4(6)5(7)8/h2-3,6H,1H2,(H,7,8)
           C=CC=C(O)C(O)=O
CPD-27                 InChI=1/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-2
           [PH]([O-1])(=O)[O-1]
CPD-271                InChI=1/C21H30O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h
           CC13(C(=CC(=O)CC1)CC[CH]2([CH]4(C(CC[CH]23)(C)[CH](CC4)OC(C)=O)))
CPD-272                InChI=1/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h
           CC(=O)C1(C2([CH](CC1)[CH]3([CH](C(O)C2)C4(C(CC3)=CC(=O)CC4)(C)))(C))
CPD-273                InChI=1/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,
           C(O)(=O)C1(OC([CH](O)[CH](O)CO)C(C(O)C1)NC(=O)CO)(O)
CPD-274                InChI=1/C10H9NO5/c12-6-2-1-4-7(13)3-5(10(15)16)11-8(4)9(6)14/h1-3,6,9,12,14H,(H,11,13)(H,15,16)
           C(O)(=O)c1(cc(O)c2(c(n1)[CH](O)[CH](O)C=C2))
CPD-2742              InChI=1/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3
           c1(ncc(cc1)[CH]2(N(C)C(=O)CC2))
CPD-2743              InChI=1/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
           c1(ncc(cc1)[CH]2(N(C)(=O)CCC2))
CPD-2744              InChI=1/C16H22N2O6/c1-17-6-3-5-10(17)9-4-2-7-18(8-9)15-13(21)11(19)12(20)14(24-15)16(22)23/h2
           c2([n+1](C1(C(O)C(O)C(O)C(O1)C(O)=O))cc(cc2)[CH]3(N(C)CCC3))
CPD-2747              InChI=1/C16H20N2O7/c1-17-9(4-5-10(17)19)8-3-2-6-18(7-8)15-13(22)11(20)12(21)14(25-15)16(23)24
           c2([n+1](C1(C(O)C(O)C(O)C(O1)C(O)=O))cc(cc2)[CH]3(N(C)C(=O)CC3))
CPD-2748              InChI=1/C9H12N2/c1-3-8(7-10-5-1)9-4-2-6-11-9/h1,3,5,7,9,11H,2,4,6H2
           c1(ncc(cc1)[CH]2([NH]CCC2))
CPD-2749              InChI=1/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)
           c1(ncc(cc1)[CH]2([NH]C(=O)CC2))
CPD-275               InChI=1/C10H6O4/c11-6-3-1-2-5-7(12)4-8(13)10(14)9(5)6/h1-4,11,13H
           c2(cc(O)c1(C(=O)C(O)=CC(=O)c1c2))
CPD-2750              InChI=1/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3
           c1(ncc(cc1)[CH]2(N(C)C(=O)[CH](C2)O))
CPD-2751              InChI=1/C10H12N2O2/c1-12-9(13)4-5-10(12,14)8-3-2-6-11-7-8/h2-3,6-7,14H,4-5H2,1H3
           c1(ncc(cc1)C2(O)(N(C)C(=O)CC2))
CPD-2752              InChI=1/C16H20N2O8/c1-18-8(7-3-2-4-17-6-7)5-9(14(18)22)25-16-12(21)10(19)11(20)13(26-16)15(23
           c1(ncc(cc1)[CH]2(C[CH](C(=O)N2C)OC3(C(O)C(O)C(O)C(O3)C(O)=O)))
CPD-276               InChI=1/C27H44O7/c1-23(2,32)9-8-22(31)26(5,33)21-7-11-27(34)16-12-18(28)17-13-19(29)20(30)14-2
           CC13([CH](CC(O)C(O)C1)C(=O)C=C2(C4(C(CCC23)(C)C(CC4)C(C)(O)C(O)CCC(C)(O)C)(O)))
CPD-277               InChI=1/C7H6O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h1-2H,3H2,(H,10,11)(H,12,13)
           C(O)(=O)C=CC(=O)CC(=O)C(=O)O
CPD-278               InChI=1/C10H14O/c1-7(2)9-5-4-8(3)6-10(9)11/h6H,4-5H2,1-3H3
           CC1(=CC(=O)C(=C(C)C)CC1)
CPD-279               InChI=1/C6H5ClO4/c7-4(3-6(10)11)1-2-5(8)9/h1-3H,(H,8,9)(H,10,11)
           C(O)(=O)C=CC(Cl)=CC(=O)O
CPD-28                InChI=1/C5H5NO2/c1-6-4(7)2-3-5(6)8/h2-3H,1H3
           C1(N(C)C(=O)C=C1)(=O)
CPD-280               InChI=1/C5H8O3/c6-4-2-1-3-5(7)8/h4H,1-3H2,(H,7,8)
           C(=O)(O)CCC[CH]=O
CPD-281               InChI=1/C12H23NO2S2/c1-9(2)12(15)17-10(7-8-16)5-3-4-6-11(13)14/h9-10,16H,3-8H2,1-2H3,(H2,13,1
           CC(C)C(=O)SC(CCS)CCCCC(=O)N
CPD-282               InChI=1/C6H8O/c7-6-4-2-1-3-5-6/h2,4H,1,3,5H2
           C1(C(=O)C=CCC1)
CPD-283               InChI=1/C6H7NO3/c8-5-2-1-4(3-7-5)6(9)10/h3H,1-2H2,(H,7,8)(H,9,10)
           C1(NC=C(C(=O)O)CC1)(=O)
CPD-2841   N#N=[N-1] InChI=1/N3/c1-3-2/q-1
CPD-285               InChI=1/C8H12O7/c9-5(10)3-1-2-4(7(12)13)6(11)8(14)15/h4,6,11H,1-3H2,(H,9,10)(H,12,13)(H,14,15)
           C(O)(=O)CCCC(C(O)=O)C(O)C(O)=O
CPD-286               InChI=1/C21H29O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(1
           C(O)C(=O)C1(C2([CH](CC1)[CH]3([CH](C(=O)C2)C4([CH](CC3)[CH]C(=O)CC4)(C)))(C))(O)
CPD-287               InChI=1/C21H29O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(1
           C(O)C(=O)C1(C2([CH](CC1)[CH]3([CH](C(=O)C2)C4([CH](CC3)[CH]C(=O)CC4)(C)))(C))(O)
CPD-288               InChI=1/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H
           C1(C=CC(O)C(O)C=1)
CPD-289               InChI=1/C6H8O2/c7-5-3-1-2-4-6(5)8/h1-8H
           C1(C=CC(O)C(O)C=1)
CPD-29                InChI=1/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1
           C(=O)(O)c1(ccc([Hg]Cl)cc1)
CPD-290               InChI=1/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1-5,8,11H,(H,9,10)
           C(O)(=O)C1(C(O)C=CC=C1)(O)
CPD-291               InChI=1/C7H10O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-4H2,(H,9,10)(H,11,12)
           C(=O)(O)C(=O)CCCCC(=O)O
CPD-292               InChI=1/C16H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h14-16H,2-13H2,1H3
           CCCCCCCCCCCCCC=C[CH]=O
CPD-293               InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14
           CC12([CH]3([CH](CC[CH](CC(=O)CC1)2)[CH]4(C(C)(CC3)[CH](CC4)C(C)=O)))
CPD-294               InChI=1/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)
           C(O)(=O)CC(=O)C=CC(=O)O
CPD-296               InChI=1/C8H16O2S2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H,9,10)
           C(S)CC(S)CCCCC(O)=O
CPD-2961              InChI=1/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14
           C(OP(O)(O)=O)[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
CPD-298               InChI=1/C4H9NO2/c1-3(5-2)4(6)7/h3,5H,1-2H3,(H,6,7)
           C(=O)(O)C(C)NC
CPD-2982              InChI=1/C15H10O6/c16-8-5-11(19)14-12(6-8)21-13(15(14)20)4-7-1-2-9(17)10(18)3-7/h1-6,16-19H
           c1(O)(c(O)cc(cc1)C=C2(C(=O)c3(c(O2)cc(O)cc3O)))
CPD-299               InChI=1/C5H9NO3/c1-3(7)2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)
           CC(=O)CC(N)C(O)=O
CPD-3                 InChI=1/Mo.4O/q;;;2*-1
           O=[Mo]([O-1])([O-1])=O
CPD-30                InChI=1/C6H11NO2/c1-6(9)7-4-2-3-5-8/h5H,2-4H2,1H3,(H,7,9)
           C(C)(=O)NCCCC=O
CPD-3001              InChI=1/C15H10O7/c16-7-4-8(17)13-11(5-7)22-12(15(13)21)3-6-1-9(18)14(20)10(19)2-6/h1-5,16-20H
           c12(c(cc(O)cc(O)1)OC(C(=O)2)=Cc3(cc(O)c(O)c(O)c3))
CPD-301               InChI=1/C9H14O7/c10-6(11)3-1-2-4-9(16,8(14)15)5-7(12)13/h16H,1-5H2,(H,10,11)(H,12,13)(H,14,15)
           C(=O)(O)CCCCC(O)(C(O)=O)CC(=O)O
CPD-302               InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
           C(=O)(O)C(N)CC(=O)O
CPD-3021              InChI=1/C15H12O6/c16-9-6-13(20)15(14(21)7-9)11(18)4-2-8-1-3-10(17)12(19)5-8/h1-7,16-17,19-21H
           c1(O)(cc(ccc(O)1)C=CC(=O)c2(c(O)cc(O)cc2O))
CPD-303               InChI=1/C6H13N/c7-6-4-2-1-3-5-6/h6H,1-5,7H2
           C1(C(N)CCCC1)
CPD-304               InChI=1/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)
           C(=O)(O)C(N)CCCCNC
CPD-3041              InChI=1/C15H12O4/c16-11-4-1-10(2-5-11)3-8-14(18)13-7-6-12(17)9-15(13)19/h1-9,16-17,19H
           C(c1(ccc(O)cc1))=CC(=O)c2(c(O)cc(O)cc2)
CPD-305               InChI=1/C5H11NO5S/c1-4(5(7)8)6-2-3-12(9,10)11/h4,6H,2-3H2,1H3,(H,7,8)(H,9,10,11)
           C(=O)(O)C(C)NCCS(O)(=O)=O
CPD-306               InChI=1/C9H18N2O4/c1-6(8(12)13)11-7(9(14)15)4-2-3-5-10/h6-7,11H,2-5,10H2,1H3,(H,12,13)(H,14,15
           C(=O)(O)C(NC(C)C(=O)O)CCCCN
CPD-3061              InChI=1/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2
           c3(c2(OC(c1(ccc(O)cc1))CC(=O)c2ccc(O)3))
CPD-307               InChI=1/C8H16N2O4/c9-6(8(13)14)2-1-4-10-5-3-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)
           C(NCCC(=O)O)CCC(N)C(=O)O
CPD-308               InChI=1/C11H20N4O6/c12-11(13)14-5-1-2-6(9(18)19)15-7(10(20)21)3-4-8(16)17/h6-7,15H,1-5H2,(H,1
           C(=O)(O)C(CCCNC(N)=N)NC(C(O)=O)CCC(O)=O
CPD-309               InChI=1/C9H18N4O4/c1-5(7(14)15)13-6(8(16)17)3-2-4-12-9(10)11/h5-6,13H,2-4H2,1H3,(H,14,15)(H,1
           C(=O)(O)C(NC(C)C(=O)O)CCCNC(N)=N
CPD-31                InChI=1/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)
           CC(O)(C(O)=O)CC(O)=O
CPD-310               InChI=1/C6H9NO4/c1-3(5(8)9)7-4(2)6(10)11/h3H,1-2H3,(H,8,9)(H,10,11)
           C(O)(=O)C(C)=NC(C)C(=O)O
CPD-311               InChI=1/C6H9NO4/c1-4(6(10)11)7-3-2-5(8)9/h2-3H2,1H3,(H,8,9)(H,10,11)
           C(O)(=O)C(C)=NCCC(=O)O
CPD-312               InChI=1/C5H9NO4/c1-3(5(9)10)6-2-4(7)8/h3,6H,2H2,1H3,(H,7,8)(H,9,10)
           C(C(O)=O)NC(C)C(=O)O
CPD-313    C(N)CCN InChI=1/C3H10N2/c4-2-1-3-5/h1-5H2
CPD-3141              InChI=1/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
           C3(=C(c1(ccc(O)cc1))C(=O)c2(c(O)cc(O)cc2O3))
CPD-315               InChI=1/C62H90N13O14P.CN.Co/c1-28-20-33-48(30(28)3)51(33)74-27-75(74)40-22-38-34(12-15-41(6
           CC3(C8(N2([Co+3]5710(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C4(C(C(CC(N)=O)[CH](N45)C6(C(CC(
CPD-316               InChI=1/C17H22N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)1
           C1(C2(C(=NC(=O)N1)N(CC(O)C(O)C(O)CO)c3(c(N2)cc(C)c(C)c3)))(=O)
CPD-3161              InChI=1/C15H12O6/c16-8-3-1-7(2-4-8)12-14(19)13-10(18)5-9(17)6-11(13)21-15(12)20/h1-6,12,15-18,
           C2(C(c1(ccc(O)cc1))C(=O)c3(c(O2)cc(O)cc(O)3))(O)
CPD-317               InChI=1/C42H70N14O32P6S2/c1-41(2,15-81-93(75,76)87-91(71,72)79-13-21-29(85-89(65,66)67)27(59
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSSCCNC(=
CPD-318               InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,7-11H,1H2/p-1
           C(O)C(O)c1(c(O)c(O)c([O-1])o1)
CPD-3183              InChI=1/C11H22N2/c1-12-7-3-5-10(9-12)11-6-4-8-13(11)2/h10-11H,3-9H2,1-2H3/p+1
           c1([n+1](C)cc(cc1)[CH]2(N(C)CCC2))
CPD-3184              InChI=1/C11H20N2O/c1-12-7-3-4-9(8-12)10-5-6-11(14)13(10)2/h9-10H,3-8H2,1-2H3/p+1
           c1([n+1](C)cc(cc1)[CH]2(N(C)C(=O)CC2))
CPD-3185              InChI=1/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3
           c1(n(=O)cc(cc1)[CH]2(N(C)C(=O)CC2))
CPD-3186              InChI=1/C10H13N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6-8,10H,3,5H2,1H3/q+1
           C1(=[N+1](C)[CH](CC1)c2(cnccc2))
CPD-3187              InChI=1/C10H14N2O/c1-12-7-3-5-10(12,13)9-4-2-6-11-8-9/h2,4,6,8,13H,3,5,7H2,1H3
           c1(ncc(cc1)C2(O)(N(C)CCC2))
CPD-3188              InChI=1/C10H12N2O2/c13-7-12-9(3-4-10(12)14)8-2-1-5-11-6-8/h1-2,5-6,9,13H,3-4,7H2
           c1(ncc(cc1)[CH]2(N(CO)C(=O)CC2))
CPD-3189              InChI=1/C10H14N2O/c1-11-6-3-5-10(13)9-4-2-7-12-8-9/h2,4,7-8,11H,3,5-6H2,1H3
           c1(ncc(cc1)C(=O)CCCNC)
CPD-319               InChI=1/C9H12O6/c10-7(11)4-2-1-3-6(9(14)15)5-8(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,15)
           C(O)(=O)CCCCC(C(=O)O)=CC(O)=O
CPD-3190              InChI=1/C9H10N2O2/c10-9(13)4-3-8(12)7-2-1-5-11-6-7/h1-2,5-6H,3-4H2,(H2,10,13)
           c1(ncc(cc1)C(=O)CCC(=O)N)
CPD-3191              InChI=1/C10H12N2O2/c1-11-10(14)5-4-9(13)8-3-2-6-12-7-8/h2-3,6-7H,4-5H2,1H3,(H,11,14)
           c1(ncc(cc1)C(=O)CCC(=O)NC)
CPD-3192              InChI=1/C9H9NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6H,3-4H2,(H,12,13)
           c1(ncc(cc1)C(=O)CCC(O)=O)
CPD-3193              InChI=1/C9H11NO3/c11-8(3-4-9(12)13)7-2-1-5-10-6-7/h1-2,5-6,8,11H,3-4H2,(H,12,13)
           c1(ncc(cc1)C(O)CCC(O)=O)
CPD-3194              InChI=1/C9H9NO2/c11-9(12)5-1-3-8-4-2-6-10-7-8/h1-4,6-7H,5H2,(H,11,12)
           c1(ncc(cc1)C=CCC(O)=O)
CPD-3195              InChI=1/C9H9NO2/c11-9-4-3-8(12-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2
           c1(ncc(cc1)C2(OC(=O)CC2))
CPD-32                InChI=1/C7H8O8/c8-3(5(11)12)1-7(15,6(13)14)2-4(9)10/h15H,1-2H2,(H,9,10)(H,11,12)(H,13,14)
           C(=O)(O)C(=O)CC(O)(C(O)=O)CC(O)=O
CPD-320               InChI=1/C2H5NO2/c1-2-3(4)5/h2H2,1H3
           CC[N+1]([O-1])=O
CPD-321               InChI=1/C3H4NO4/c5-3(6)1-2-4(7)8/h2H,1H2,(H-,5,6,7,8)
           C(=[N+1]([O-1])=O)CC(=O)O
CPD-322               InChI=1/C31H51N10O22P3S2/c1-31(2,24(47)28(49)35-6-5-18(42)34-7-8-67-68-11-16(27(48)36-9-20(4
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C3O)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSSCC(C(=O
CPD-3221              InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
           C=C2(C1(C(C)(C)C(C1)CC2))
CPD-323               InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-2
           CC12([CH](CCC(C(C)CCCC(C)C)1)[CH]3([CH](CC2)C4(C(CC3)=CC(=O)CC4)(C)))
CPD-324               InChI=1/C12H6O4/c13-7-5-11-12(6-8(7)14)16-10-4-2-1-3-9(10)15-11/h1-6H
           c1(ccc2(c(c1)OC3(C(O2)=CC(=O)C(=O)C=3)))
CPD-3241   C[CH]1(OC1)InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
CPD-325               InChI=1/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)
           C(O)(=O)C(O)c1(ccc(O)cc1)
CPD-326    CCC(O)C InChI=1/C4H10O/c1-3-4(2)5/h4-5H,3H2,1-2H3
CPD-3261              InChI=1/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
           c1(ccc(cc1)c2(c(O)c(=O)c3(c(o2)cccc3)))
CPD-327               InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-4,6-9,11H,1H2
           C1(C(=O)C(O)C(O)C(O1)CO)(O)
CPD-328               InChI=1/C10H10N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h1-4,6-7,10,16-17H
           C(=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]cn3)))
CPD-329               InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-3,5,7-9H,1H2
           C(O)C(O)[CH]1(C(O)C(=O)C(O1)=O)
CPD-33                InChI=1/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)
           CC(O)C(O)C(O)C(O)C(=O)O
CPD-330               InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2
           C1(OC(C(O)CO)C(O)C(O)1)(=O)
CPD-3301              InChI=1/C14H8O3/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7,15H
           c1(cc2(c(cc1)C(=O)c3(c(C2=O)cccc3O)))
CPD-3302              InChI=1/C20H18O8/c21-8-13-17(24)18(25)19(26)20(28-13)27-12-7-3-6-11-14(12)16(23)10-5-2-1-4-9(1
           C(O)C1(OC(C(O)C(O)C1O)Oc2(c3(c(ccc2)C(=O)c4(c(C3=O)cccc4))))
CPD-331                InChI=1/C27H42O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(1
           CC13([CH](CC(=O)C(O)C1)C(=O)C=C2(C4(C(CCC23)(C)C(CC4)C(C)C(O)CCC(C)(O)C)(O)))
CPD-332                InChI=1/C10H15N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h5-7,16H,2-4H2,1H3,(H2,11,12,13
           C[CH](CO)CCNc2(c1(c([nH]cn1)ncn2))
CPD-3321               InChI=1/C12H21N3O3/c1-8-5-7-14-10(8)11(16)15-6-3-2-4-9(13)12(17)18/h7-10H,2-6,13H2,1H3,(H,15,
           CC1(C(N=CC1)C(=O)NCCCC[CH](N)C(O)=O)
CPD-333                InChI=1/C6H10O5/c7-4(6(10)11)2-1-3-5(8)9/h4,7H,1-3H2,(H,8,9)(H,10,11)
           C(O)(=O)CCCC(O)C(=O)O
CPD-334                InChI=1/C6H8O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-3,7-9H,1H2,(H,12,13)
           C(O)C(O)C(O)C(=O)C(=O)C(=O)O
CPD-3343               InChI=1/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3
           C2(=C(c1(ccc(O)cc1))C(=O)c3(c(O2)cc(OC)cc3))
CPD-3344               InChI=1/C3H5NO3/c1-2(4-7)3(5)6/h7H,1H3,(H,5,6)
           CC(C(O)=O)=NO
CPD-335                InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
           C(O)(=O)CC(O)C
CPD-336                InChI=1/C9H14O7/c10-6(11)4-2-1-3-5(8(13)14)7(12)9(15)16/h5,7,12H,1-4H2,(H,10,11)(H,13,14)(H,15,
           C(=O)(O)C(O)C(C(O)=O)CCCCC(O)=O
CPD-3361               InChI=1/C16H14O4/c1-20-16-10-13(18)7-8-14(16)15(19)9-4-11-2-5-12(17)6-3-11/h2-10,17-18H,1H3
           c1(c(ccc(c1)O)C=CC(=O)c2(c(OC)cc(O)cc2))
CPD-337                InChI=1/C8H12O5/c9-6(8(12)13)4-2-1-3-5-7(10)11/h1-5H2,(H,10,11)(H,12,13)
           C(=O)(O)C(=O)CCCCCC(=O)O
CPD-338                InChI=1/C7H12O3/c8-6-4-2-1-3-5-7(9)10/h6H,1-5H2,(H,9,10)
           C(=O)(O)CCCCCC=O
CPD-339                InChI=1/C6H11O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-4,7-9H,1H2,(H,11,12)(H2,13,14,
           C(=O)(O)C(=O)C(O)C(O)C(O)COP(O)(=O)O
CPD-34                 InChI=1/C20H22O7/c1-20(2,26)6-5-12-15(23)8-16(24)17-18(25)13(9-27-19(12)17)11-4-3-10(21)7-14(1
           C2(C(c1(c(O)cc(O)cc1))C(=O)c3(c(O2)c(c(O)cc3O)CCC(O)(C)C))
CPD-3401               InChI=1/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18
           C2([CH](c1(c(O)cc(OC)cc1))C(=O)c3(c(O2)cc(O)cc3))
CPD-3402               InChI=1/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17
           C1([CH]3([CH](c2(c(O1)cc(O)cc2))Oc4(cc(OC)ccc34)))
CPD-341                InChI=1/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
           c1(c(CCO)c2(c([nH]1)cccc2))
CPD-342                InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16
           CC12(C(CCC(=O)1)C3(C(CC2)C4([CH](CC3)CC(=O)CC4)(C)))
CPD-3421               InChI=1/C21H20O10/c22-7-15-18(26)19(27)20(28)21(31-15)30-11-5-13(24)16-14(6-11)29-8-12(17(16)
           C1(C(O)C(O)C(O)C(O1)CO)Oc2(cc3(c(c(c2)O)C(=O)C(=CO3)c4(ccc(O)cc4)))
CPD-3422               InChI=1/C24H22O13/c25-11-3-1-10(2-4-11)13-8-34-15-6-12(5-14(26)19(15)20(13)30)36-24-23(33)22(
           C(O)(=O)CC(=O)OCC1(OC(C(O)C(O)C1O)Oc2(cc3(c(c(O)c2)C(=O)C(=CO3)c4(ccc(O)cc4))))
CPD-3423               InChI=1/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
           C(=O)(O)CC(=O)O
CPD-3424               InChI=1/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10
           C2(=C(c1(ccc(O)cc1))C(=O)c3(c(O2)cc(cc3)OC4(OC(CO)C(O)C(O)C(O)4)))
CPD-3425               InChI=1/C24H22O12/c25-12-3-1-11(2-4-12)15-9-33-16-7-13(5-6-14(16)20(15)29)35-24-23(32)22(31)2
           C(=O)(O)CC(=O)OCC1(OC(C(O)C(O)C(O)1)Oc2(cc3(c(cc2)C(=O)C(=CO3)c4(ccc(O)cc4))))
CPD-343                InChI=1/C6H8O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3,7-8H,1-2H2,(H,11,12)
           C(O)C(=O)C(O)CC(=O)C(=O)O
CPD-344                InChI=1/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)
           Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)C)))
CPD-3441               InChI=1/C16H16O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-19
           C2([CH](c1(c(O)cc(OC)cc1))[CH](O)c3(c(O2)cc(O)cc3))
CPD-345                InChI=1/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(2
           CC(CCC(=O)O)C1(C2(C(CC1)C3(C(CC(=O)2)C4([CH](CC(O)3)CC(O)CC4)(C)))(C))
CPD-346    CC(O)C(O)CInChI=1/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3
CPD-3462               InChI=1/C9H21N3O/c1-9(13)12-8-3-2-6-11-7-4-5-10/h11H,2-8,10H2,1H3,(H,12,13)
           CC(=O)NCCCCNCCCN
CPD-347    C(O)CCO InChI=1/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
CPD-348                InChI=1/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
           CCCCCCCCCCCCCCCCO
CPD-3481               InChI=1/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
           CC(NC(C)(C)C)C(=O)c1(cc(Cl)ccc1)
CPD-3482               InChI=1/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3
           CC(NC(C)(C)C)C(O)c1(cc(Cl)ccc1)
CPD-3483               InChI=1/C13H18ClNO2/c1-9(15-13(2,3)8-16)12(17)10-5-4-6-11(14)7-10/h4-7,9,15-16H,8H2,1-3H3
           CC(NC(C)(C)CO)C(=O)c1(cc(Cl)ccc1)
CPD-3484               InChI=1/C13H20ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,12,15-16H,1-4H3
           CC(NC(C)(C)C)C(O)c1(cc(Cl)ccc1)
CPD-3486               InChI=1/C7H5ClO2/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H,9,10)
           C(=O)(O)c1(cc(Cl)ccc1)
CPD-3487               InChI=1/C9H8ClNO3/c10-7-3-1-2-6(4-7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
           C(C(O)=O)NC(=O)c1(cc(Cl)ccc1)
CPD-349                InChI=1/C7H14O2S/c8-7(9)5-3-1-2-4-6-10/h10H,1-6H2,(H,8,9)
           C(O)(=O)CCCCCCS
CPD-35                 InChI=1/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
           C(=O)(C)NCCCC(O)=O
CPD-350                InChI=1/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
           CC(O)(CC(=O)O)CCO
CPD-3502               InChI=1/C16H14O5/c1-20-11-5-2-9(3-6-11)14-15(18)12-7-4-10(17)8-13(12)21-16(14)19/h2-8,14,16-17
           C2(C(c1(ccc(OC)cc1))C(=O)c3(c(O2)cc(O)cc3))(O)
CPD-351                InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17
           CC12([CH](CCC(O)1)[CH]3([CH](CC2)c4(c(CC3)cc(O)cc4)))
CPD-352                InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17
           CC12([CH](CCC(O)1)[CH]3([CH](CC2)c4(c(CC3)cc(O)cc4)))
CPD-3521               InChI=1/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H
           C3(=C(c1(ccc(O)cc1))C(=O)c2(c(O)cc(OC)cc2O3))
CPD-353                InChI=1/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)
           CC1(OC(C(O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
CPD-354                InChI=1/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)
           CC1(OC(C(O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
CPD-355                InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
           C(O)C(O)C(O)C(O)CO
CPD-356               InChI=1/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2
           C(O)C1(C(O)C(O)C(O1)=O)
CPD-3561              InChI=1/C12H22O11/c13-1-4-6(16)7(17)8(18)11(21-4)22-9-5(2-14)23-12(20,3-15)10(9)19/h4-11,13-20
           C(O)C1(OC(C(O)C(O)C1O)[O+1]C2(C(CO)OC(O)(C2O)CO))
CPD-3564              InChI=1/C4H8O3/c1-2-3(5)4(6)7/h3,5H,2H2,1H3,(H,6,7)
           CCC(O)C(O)=O
CPD-3565              InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
           C(O)C1(C(O)C(O)C(O)C(O1)OC)
CPD-3569              InChI=1/C7H12N2O5/c8-3-5(10)9-4(7(13)14)1-2-6(11)12/h4H,1-3,8H2,(H,9,10)(H,11,12)(H,13,14)
           C(N)C(=O)NC(C(O)=O)CCC(O)=O
CPD-357               InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2
           C(O)C(O)C(O)C(O)C(O)CO
CPD-3570              InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
           C(O)C1(C(O)C(O)C(O)C(O1)OC)
CPD-3571              InChI=1/C6H8O6/c7-4(8)1-3(6(11)12)2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
           C(=O)(O)CC(C(O)=O)CC(O)=O
CPD-3572              InChI=1/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7)
           C(=O)(O)CCC(=O)OC
CPD-3573              InChI=1/C4H6O3/c1-3(5)4(6)7-2/h1-2H3
           CC(=O)C(=O)OC
CPD-358               InChI=1/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3
           [CH](=O)C(O)C
CPD-3581              InChI=1/C6H11NO6/c7-6(13)5(12)4(11)3(10)2(9)1-8/h1-5,9-12H,(H2,7,13)
           C(=O)C(O)C(O)C(O)C(O)C(=O)N
CPD-3582              InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
           C(O)C1(C(O)C(O)C(O)C(O1)OC)
CPD-359               InChI=1/C11H21NO4S/c1-8(13)10(11(15)16)12-9(14)6-4-2-3-5-7-17/h8,10,13,17H,2-7H2,1H3,(H,12,14
           C(S)CCCCCC(=O)NC(C(C)O)C(O)=O
CPD-36                InChI=1/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22
           CC(=O)NC1(C(C(O)C(CO)OC1O)OC2(C(O)C(O)C=C(O2)C(O)=O))
CPD-360               InChI=1/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2
           C1(C(O)C(O)C(O)CO1)(=O)
CPD-3602              InChI=1/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(2
           [CH]1([CH]([OH])[CH]([CH]([OH])[CH](O1)[CH2][OH])O[CH]2([CH]([OH])[CH]([OH])[CH]([OH])[CH](O2)[CH2][OH]))(O
CPD-3604              InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)
           C1(C(NC(C)=O)C(O)C(O)C(O1)CO)(O)
CPD-3605              InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H
           C(O)C1(OC(C(O)C(O)C1O)OCC2(C(O)C(O)C(O)C(O2)O))
CPD-3607              InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
           C(O)C1(C(O)C(O)C(O)C(O1)O)
CPD-3609              InChI=1/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H
           C(O)C(O)C(O)[CH](C(O)CO)OC1(C(O)C(O)C(O)C(O1)CO)
CPD-361               InChI=1/C16H24N2O17P2/c1-5-3-18(16(26)17-13(5)23)8-2-6(19)7(32-8)4-31-36(27,28)35-37(29,30)34
           Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)C(O)=O)))
CPD-3610              InChI=1/C7H14O6/c1-12-6-4(9)3(2-8)13-7(11)5(6)10/h3-11H,2H2,1H3
           C(O)C1(C(O)C(OC)C(O)C(O1)O)
CPD-3611              InChI=1/C7H12O7/c1-13-7-4(10)2(8)3(9)5(14-7)6(11)12/h2-5,7-10H,1H3,(H,11,12)
           C(=O)(O)C1(C(O)C(O)C(O)C(O1)OC)
CPD-3612              InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
           C(O)C1(C(O)C(O)C(O)C(O1)OC)
CPD-3613              InChI=1/C6H12O5/c1-10-6-5(9)4(8)3(7)2-11-6/h3-9H,2H2,1H3
           C1(C(O)C(O)C(O)C(O1)OC)
CPD-3614              InChI=1/C7H12O6/c8-2-7-6(11)5(10)4(9)3(13-7)1-12-7/h3-6,8-11H,1-2H2
           C(O)C12(OC(CO1)C(O)C(O)C2O)
CPD-3615              InChI=1/C8H17NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h5-8,10-11,13-15H,2-3H2,1H3,(H,9,12)
           CC(=O)NC(CO)C(O)C(O)C(O)CO
CPD-3617              InChI=1/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12)
           CCCCCCCCCC(O)=O
CPD-3618              InChI=1/C5H8O3/c1-2-3-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
           CCCC(=O)C(O)=O
CPD-362               InChI=1/C5H12O4/c6-1-4(2-7)5(9)3-8/h4-9H,1-3H2
           C(O)C(CO)C(O)CO
CPD-3620              InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)
           C(O)C(=O)C(O)C(O)C(O)C(O)=O
CPD-3621              InChI=1/C4H8O3/c1-3(5)4(6)7-2/h3,5H,1-2H3
           CC(O)C(=O)OC
CPD-3622              InChI=1/C16H12O6/c1-21-13-3-2-8(4-11(13)18)10-7-22-14-6-9(17)5-12(19)15(14)16(10)20/h2-7,17-19
           C2(=C(c1(cc(O)c(OC)cc1))C(=O)c3(c(O)cc(O)cc(O2)3))
CPD-3623              InChI=1/C10H18O4/c11-9(12)7-5-3-1-2-4-6-8-10(13)14/h1-8H2,(H,11,12)(H,13,14)
           C(=O)(O)CCCCCCCCC(O)=O
CPD-3624              InChI=1/C6H8O2/c1-2-3-4-5-6(7)8/h2-5H,1H3,(H,7,8)
           CC=CC=CC(O)=O
CPD-3626              InChI=1/C4H7NO3/c5-3(6)1-2-4(7)8/h1-2H2,(H2,5,6)(H,7,8)
           C(N)(=O)CCC(O)=O
CPD-3627   CCC(N)C InChI=1/C4H11N/c1-3-4(2)5/h4H,3,5H2,1-2H3
CPD-3628              InChI=1/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H
           C1(=C(C(=O)c2(c(O1)cc(O)cc2))c3(ccc4(c(c3)OCO4)))
CPD-3629              InChI=1/C16H10O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-6,17-1
           C1(=C(C(=O)c2(c(O1)cc(O)cc2))c3(c(O)cc4(c(c3)OCO4)))
CPD-363               InChI=1/C4H6O5/c5-1-2(6)3(7)4(8)9/h3,5,7H,1H2,(H,8,9)
           C(O)C(=O)C(O)C(O)=O
CPD-3630              InChI=1/C16H12O6/c17-8-1-2-9-13(3-8)20-6-11(16(9)19)10-4-14-15(5-12(10)18)22-7-21-14/h1-5,11,1
           C1([CH](C(=O)c2(c(O1)cc(O)cc2))c3(c(O)cc4(c(c3)OCO4)))
CPD-3631              InChI=1/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,1
           C1([CH]3([CH](c2(c(O1)cc(O)cc2))Oc4(c3cc5(c(c4)OCO5))))
CPD-3633              InChI=1/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)
           C(N)(=O)CC(N)C(O)=O
CPD-364               InChI=1/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)
           C(=O)(O)C1(C(O)C(O)C(O)C(O1)O)
CPD-3642              InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
           CC(C)C(N)C(O)=O
CPD-365               InChI=1/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H
           C1(=O)(C(O)C(O)C(O)C(O)C1O)
CPD-366               InChI=1/C3H7O9PS/c4-3(5)2(1-14(9,10)11)12-13(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H,9,10,11)
           C(S(=O)(O)=O)[CH](C(O)=O)OP(O)(O)=O
CPD-3662              InChI=1/C13H11NO6/c15-10(16)6-5-9(13(19)20)14-11(17)7-3-1-2-4-8(7)12(14)18/h1-4,9H,5-6H2,(H,15
           C(=O)(O)CCC(C(O)=O)N1(C(=O)c2(c(C1=O)cccc2))
CPD-367               InChI=1/C3H6O6S/c4-2(3(5)6)1-10(7,8)9/h2,4H,1H2,(H,5,6)(H,7,8,9)
           C(S(=O)(O)=O)[CH](O)C(O)=O
CPD-368               InChI=1/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2
           C1(OC(CO)C(O)C(O)1)(=O)
CPD-3681   CCCCCN InChI=1/C5H13N/c1-2-3-4-5-6/h2-6H2,1H3
CPD-3682   C(N)CN     InChI=1/C2H8N2/c3-1-2-4/h1-4H2
CPD-3683              InChI=1/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2
           C(O)C1(C(O)C(O)C(N)C(O1)O)
CPD-3684              InChI=1/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10)
           C1(=O)(C(=O)C(=O)NC(N1)=O)
CPD-3685              InChI=1/C3H2N2O3/c6-1-2(7)5-3(8)4-1/h(H2,4,5,6,7,8)
           C1(=O)(C(=O)NC(N1)=O)
CPD-3686              InChI=1/C4H9NO2/c1-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
           CCC(N)C(O)=O
CPD-3687              InChI=1/C8H17NO2/c1-2-3-4-5-6-7(9)8(10)11/h7H,2-6,9H2,1H3,(H,10,11)
           CCCCCCC(N)C(O)=O
CPD-369               InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2
           C(O)C(O)C(O)C(O)C(O)CO
CPD-37                InChI=1/C6H8O6/c7-2-3(8)1-4(9)5(10)6(11)12/h2,4-5,9-10H,1H2,(H,11,12)
           [CH](=O)C(=O)CC(O)C(O)C(=O)O
CPD-370               InChI=1/C8H15NO7/c1-3(11)9-5(8(15)16)7(14)6(13)4(12)2-10/h4-7,10,12-14H,2H2,1H3,(H,9,11)(H,15,
           C(=O)(O)C(NC(C)=O)C(O)C(O)C(O)CO
CPD-3703              InChI=1/C6H15O4P/c1-4-8-11(7,9-5-2)10-6-3/h4-6H2,1-3H3
           CCOP(=O)(OCC)OCC
CPD-3704   O=[PH2]O InChI=1/H3O2P/c1-3-2/h3H2,(H,1,2)
CPD-3705              InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6
           C(O)C1(OC(C(C1O)OP(O)(O)=O)N2(c3(c(N=C2)c(N)ncn3)))
CPD-3706              InChI=1/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6
           C(O)C1(OC(C(O)C1OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3)))
CPD-3707              InChI=1/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(4(1-16)19-10)20-22(17,18)21-7/h2-4,6-
           C(O)C1(OC(C2(OP(O)(=O)OC12))n3(c4(c(nc3)c(N)ncn4)))
CPD-3708              InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-5(17)6(3(1-16)22-9)23-24(19,20)21/h2
           C(O)C1(OC(C(O)C1OP(O)(O)=O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
CPD-3709              InChI=1/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-6-5(3(1-16)20-9)21-23(18,19)22-6/h2-
           C(O)C1(OC(C2(C1OP(O)(O2)=O))n3(c4(c(nc3)c(=O)nc(n4)N)))
CPD-371               InChI=1/C8H16O/c1-2-3-4-5-6-7-8-9/h8H,2-7H2,1H3
           [CH](=O)CCCCCCC
CPD-3710              InChI=1/C9H15N3O8P/c10-5-1-2-12(9(15)11-5)8-7(20-21(16,17)18)6(14)4(3-13)19-8/h1-2,4,6-8,13-14
           c1(n(c(=O)nc(c1)N)C2(C(OP(O)(O)=O)C(O)C(O2)CO))
CPD-3711              InChI=1/C9H16N3O8P/c10-5-1-2-12(9(15)11-5)8-6(14)7(4(3-13)19-8)20-21(16,17)18/h1,4,6-8,13-14H,
           [cH]1(n(c(=O)nc([NH2])[cH]1)[CH]2([CH]([OH])[CH](OP([OH])(=O)[OH])[CH](O2)[CH2][OH]))
CPD-3713              InChI=1/C9H13N3O7P/c10-5-1-2-12(9(14)11-5)8-7-6(4(3-13)17-8)18-20(15,16)19-7/h1-2,4,6-8,13H,3H
           c1(n(c(=O)nc(c1)N)C2(OC(CO)C3(C2OP(O)(O3)=O)))
CPD-372               InChI=1/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)
           C(O)C(O)C(O)C(O)COP(O)(=O)O
CPD-3721              InChI=1/C2H8NO3PS/c3-1-2-8-7(4,5)6/h1-3H2,(H2,4,5,6)
           C(N)CSP(O)(O)=O
CPD-3723              InChI=1/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,1
           c1(n(c(=O)[nH]c(c1)=O)C2(C(OP(O)(O)=O)C(O)C(O2)CO))
CPD-3724              InChI=1/C9H13N2O9P/c12-3-4-7(20-21(16,17)18)6(14)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,1
           c1(n(c(=O)[nH]c(c1)=O)C2(C(O)C(C(O2)CO)OP(O)(O)=O))
CPD-3725              InChI=1/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3
           c1(n(c(=O)nc(c1)=O)C2(OC(CO)C3(C2OP(O)(O3)=O)))
CPD-3727              InChI=1/C9H11N2O8P/c12-5-1-2-11(9(14)10-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H
           c1(n(c(=O)nc(c1)=O)C2(C(O)C3(C(O2)COP(O)(O3)=O)))
CPD-3728              InChI=1/C9H12NO6P/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H2,13,
           C(=O)(O)C(N)Cc1(ccc(cc1)OP(O)(O)=O)
CPD-373               InChI=1/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)
           C(O)[CH](O)[CH](O)[CH](O)C(O)=O
CPD-3731              InChI=1/CH6O6P2/c2-8(3,4)1-9(5,6)7/h1H2,(H2,2,3,4)(H2,5,6,7)
           C(P(O)(O)=O)P(O)(O)=O
CPD-3732              InChI=1/C10H17N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h5-8,13H,2-4H2
           [CH3]c1([cH]n(c(=O)[nH]c(=O)1)[CH]2([CH2][CH](OP([OH])(=O)[OH])[CH](O2)[CH2][OH]))
CPD-3733              InChI=1/C10H15N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h5-8H,2-4H2,1H3
           [CH3]c1([cH]n(c(=O)[nH]c(=O)1)[CH]2(O[CH]3([CH]([CH2]2)OP([OH])(=O)O[CH2]3)))
CPD-3734   OP(O)(=S)OInChI=1/H3O3PS/c1-4(2,3)5/h(H3,1,2,3,5)
CPD-3735   OP(=S)(S)O InChI=1/H3O2PS2/c1-3(2,4)5/h(H3,1,2,4,5)
CPD-3736              InChI=1/C6H12N2O4S/c7-3(5(9)10)1-13-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
           C(=O)([OH])[CH]([NH2])[CH2]S[CH2][CH]([NH2])C([OH])=O
CPD-3738              InChI=1/C6H11NO4S/c1-12-3-2-4(5(8)9)7-6(10)11/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)
           C(SC)CC(C(O)=O)NC(O)=O
CPD-3739              InChI=1/C4H9NO5S/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H,8,9,10)
           C(S(=O)(O)=O)CC(N)C(O)=O
CPD-374               InChI=1/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3,15H,2H2,1H3,(H4,10,11,13,
           CC(O)C(=O)C1(=Nc2(c(NC1)nc(N)nc2=O))
CPD-3740              InChI=1/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
           C(=O)([OH])[CH]([NH2])[CH2]S[CH2]S[CH2][CH]([NH2])C([OH])=O
CPD-3741   C(N)(S)=N InChI=1/CH4N2S/c2-1(3)4/h(H4,2,3,4)
CPD-3742              InChI=1/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2
           [CH]1(O[CH]([CH2][OH])[CH]([OH])[CH]([OH])[CH]([OH])1)([SH])
CPD-3743              InChI=1/C26H45NO7S/c1-15(4-7-23(31)27-10-11-35(32,33)34)18-5-6-19-24-20(14-22(30)26(18,19)3)2
           [CH3]C12([CH]([CH2][CH2][CH]([CH]([CH3])[CH2][CH2]C(=O)[NH][CH2][CH2]S(=O)(=O)[OH])1)[CH]3([CH]([CH2][CH
CPD-3744              InChI=1/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)
           CCCCS(=O)(O)=O
CPD-3745              InChI=1/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6)
           C(O)CS(=O)(O)=O
CPD-3746   CS(=O)(O)=OInChI=1/CH4O3S/c1-5(2,3)4/h1H3,(H,2,3,4)
CPD-3747              InChI=1/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
           C1(S(=O)(=O)CCC1)
CPD-375               InChI=1/C8H7NO3/c1-4-7(10)6-5(2-9-4)3-12-8(6)11/h2,10H,3H2,1H3
           c2(c1(c(C(=O)OC1)c(O)c(C)n2))
CPD-376               InChI=1/C6H10O4/c1-6(2,3-7)4(8)5(9)10/h3-4,8H,1-2H3,(H,9,10)
           [CH](=O)C(C)(C)C(O)C(=O)O
CPD-3762              InChI=1/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)
           C(N)(=O)c1(c(N)ncn1)
CPD-3764              InChI=1/C25H48N6O8/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(3
           [CH3]C(=O)N([OH])[CH2][CH2][CH2][CH2][CH2][NH]C(=O)[CH2][CH2]C(=O)N([OH])[CH2][CH2][CH2][CH2][CH2][NH
CPD-3766              InChI=1/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
           [CH3]C1(C(=O)c2(c(C(=O)[CH]=1)[cH][cH][cH][cH]2))
CPD-377               InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-4,7-10H,1H2,(H,12,13)
           C(=O)(O)C(=O)C(O)C(O)C(O)CO
CPD-3781              InChI=1/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4
           [CH]17(O[CH]([CH2][OH])[CH]([CH]([OH])[CH]([OH])1)O[CH]2(O[CH]([CH2][OH])[CH]([CH]([OH])[CH]([OH])2)O[CH]3
CPD-3782              InChI=1/C36H60O30/c37-1-7-25-13(43)19(49)31(55-7)62-26-8(2-38)57-33(21(51)15(26)45)64-28-10(4
           [CH2]([OH])[CH]6(O[CH]7(O[CH]1([CH]([OH])[CH]([OH])[CH](O[CH]1[CH2][OH])O[CH]2([CH]([OH])[CH]([OH])[CH](O
CPD-3783              InChI=1/C48H80O40/c49-1-9-33-17(57)25(65)41(73-9)82-34-10(2-50)75-43(27(67)19(34)59)84-36-12(
           [CH]18([CH]([OH])[CH]([OH])[CH]([CH](O1)[CH2][OH])O[CH]2([CH]([OH])[CH]([OH])[CH]([CH](O2)[CH2][OH])O[CH]3
CPD-3785              InChI=1/C11H20O10/c12-1-4(15)10(5(16)2-13)21-11-9(19)8(18)7(17)6(3-14)20-11/h1,4-11,13-19H,2-3
           [CH](=O)[CH]([OH])[CH]([CH]([OH])[CH2][OH])O[CH]1(O[CH]([CH2][OH])[CH]([OH])[CH]([OH])[CH]([OH])1)
CPD-379               InChI=1/C12H20O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-10,12-1
           C1(OC(CO)C(O)C(O)C(O)1)OC2(C(CO)OC(=O)C(O)C(O)2)
CPD-38                InChI=1/C8H11N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,11-12H,3,9H2,(H,13,14)
           C(=O)(O)C(N)CN1(C=C(O)C(O)=CC=1)
CPD-380               InChI=1/C3H4O6S/c4-2(3(5)6)1-10(7,8)9/h1H2,(H,5,6)(H,7,8,9)
           C(=O)(O)C(=O)CS(O)(=O)=O
CPD-3801              InChI=1/C12H22O12/c13-1-4-6(16)8(18)10(20)12(24-4)23-2-3(14)5(15)7(17)9(19)11(21)22/h3-10,12-2
           C(=O)([OH])[CH]([OH])[CH]([OH])[CH]([OH])[CH]([OH])[CH2]O[CH]1(O[CH]([CH2][OH])[CH]([OH])[CH]([OH])[CH]([O
CPD-381               InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
           C(O)(=O)CCC(O)C(=O)O
CPD-382               InChI=1/C6H10O6/c7-1-3(9)5(11)6(12)4(10)2-8/h5-8,11-12H,1-2H2
           C(O)C(=O)C(O)C(O)C(=O)CO
CPD-383               InChI=1/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2-3,11-12H,4H2,1H3
           C(=O)C1(=C(CO)C(O)=C(C)N=C1)
CPD-384               InChI=1/C12H20O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-7,9-11,
           C(O)C1(OC(C(O)C(=O)C1O)OC2(CO)(C(O)C(O)C(O2)CO))
CPD-3841              InChI=1/C6H20O30P8/c7-37(8,9)29-1-2(30-38(10,11)12)4(32-40(16,17)18)6(34-44(27,28)36-42(22,23)
           C1(OP(O)(O)=O)(C(OP(O)(O)=O)C(OP(=O)(O)OP(O)(O)=O)C(C(OP(O)(O)=O)C1OP(O)(O)=O)OP(=O)(O)OP(O)(O)=O)
CPD-3842              InChI=1/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)
           C1(OP(O)(O)=O)(C(OP(O)(O)=O)C(OP(O)(O)=O)C(C(OP(O)(O)=O)C1OP(O)(O)=O)OP(=O)(O)OP(O)(O)=O)
CPD-3843              InChI=1/C6H18O24P6/c7-1-2(25-31(8,9)10)4(27-33(14,15)16)6(29-36(23,24)30-35(20,21)22)5(28-34(1
           C1(O)(C(OP(O)(O)=O)C(OP(O)(O)=O)C(C(OP(O)(O)=O)C1OP(O)(O)=O)OP(=O)(O)OP(O)(O)=O)
CPD-385               InChI=1/C6H4O2/c7-5-3-1-2-4-6(5)8/h1-4H
           C1(C(=O)C(=O)C=CC=1)
CPD-386               InChI=1/C7H5NO3/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3,8H,(H,10,11)
           C(O)(=O)C1(C(=N)C(=O)C=CC=1)
CPD-3861              InChI=1/C100H184N2O38P2/c1-6-11-16-21-26-31-32-33-34-39-44-49-54-59-82(114)131-73(58-53-48-
           CCCCCCCCCCCCCCCC(=O)OC(CCCCCCCCCCC)CC(=O)NC1(C(OC(=O)CC(O)CCCCCCCCCCC)C(O)C(OC1OP(O)(O)=O)COC
CPD-388               InChI=1/C15H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h15H,2-14H2,1H3
           CCCCCCCCCCCCCC[CH]=O
CPD-389               InChI=1/C3H4N2O4/c4-3(9)5-1(6)2(7)8/h(H,7,8)(H3,4,5,6,9)
           C(=O)(C(=O)O)NC(N)=O
CPD-390               InChI=1/C4H9NO3/c1-4(5,2-6)3(7)8/h6H,2,5H2,1H3,(H,7,8)
           C(O)C(N)(C)C(O)=O
CPD-391               InChI=1/C9H13NO/c1-10-7-6-8-2-4-9(11)5-3-8/h2-5,10-11H,6-7H2,1H3
           C(NC)Cc1(ccc(O)cc1)
CPD-392               InChI=1/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,1
           c1(c(CC(C(O)=O)NC)c2(c([nH]1)cccc2))
CPD-3921              InChI=1/C12H22N2O2/c15-11-7-3-1-5-9-13-12(16)8-4-2-6-10-14-11/h1-10H2,(H,13,16)(H,14,15)
           C1(NC(=O)CCCCCNC(=O)CCCC1)
CPD-393               InChI=1/C6H13N/c1-7-5-3-2-4-6-7/h2-6H2,1H3/p+1
           c1([n+1](C)cccc1)
CPD-394    C(NC)CCCN InChI=1/C5H14N2/c1-7-5-3-2-4-6/h7H,2-6H2,1H3
CPD-3941              InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
           CC(C)C(C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC3)CC(=O)CC4)(C))))
CPD-3942              InChI=1/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,1
           C1(C3([CH](c2(c(O1)cc(O)cc2))Oc4(c3cc5(c(c4)OCO5)))(O))
CPD-3943              InChI=1/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)
           CC(C)C(C)CC(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC3)CC(O)CC4)(C))))
CPD-3944              InChI=1/C17H14O6/c1-19-9-2-3-10-12(4-9)20-7-17(18)11-5-14-15(22-8-21-14)6-13(11)23-16(10)17/h2
           C1(C3([CH](c2(c(O1)cc(OC)cc2))Oc4(c3cc5(c(c4)OCO5)))(O))
CPD-3945              InChI=1/C28H46O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)
           CC(C)C(C)CC(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(CC3)=CC(=O)CC4)(C))))
CPD-3946              InChI=1/C28H48O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)
           CC(C)C(C)CC(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](CC3)CC(=O)CC4)(C))))
CPD-395               InChI=1/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
           c1(c(OC)cccc1)
CPD-396               InChI=1/C7H8N2O/c1-9-4-2-3-6(5-9)7(8)10/h2-5H,1H3,(H-,8,10)/p+1
           C1(=[N+1](C)C=C(C=C1)C(N)=O)
CPD-397               InChI=1/C6H13NO2S/c1-10(2)4-3-5(7)6(8)9/h5H,3-4,7H2,1-2H3/p+1
           C(=O)(O)C(N)CC[S+1](C)C
CPD-398               InChI=1/C12H11NO3/c1-7(11(14)12(15)16)9-6-13-10-5-3-2-4-8(9)10/h2-7,13H,1H3,(H,15,16)/p-1
           CC(C(=O)C([O-1])=O)c1(c2(c([nH]c1)cccc2))
CPD-3981              InChI=1/C26H31N4O4/c1-21(31)29-13-15-30(16-14-29)23-7-9-24(10-8-23)32-17-25-18-33-26(22-5-3-2
           C2(O(CN1(C=NC=C1))[CH](CO2)COC3(=CC=C(C=C3)N4(CCN(CC4)C(=O)C)))(C5(C=CC=CC=5))
CPD-399               InChI=1/C10H17N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H
           C1(OC(C(O)C1)COP(O)(=O)O)(n2(c(=O)nc(N)c(C)c2))
CPD-4                 InChI=1/C10H16N5O6PS2/c11-10-14-8-5(9(17)15-10)13-3(1-12-8)6(23)7(24)4(16)2-21-22(18,19)20/h3
           C2(C(C(S)=C(S)C(O)COP(O)(O)=O)Nc1(c(=O)[nH]c(N)nc1N2))
CPD-40                InChI=1/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-3
           C=CC1([CH](C(C(=O)OC)=CO[CH]1OC2(C(O)C(O)C(O)C(O2)CO))C[CH]3(c4(c(CCN3)c5(c([nH]4)cccc5))))
CPD-400               InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
           c1(c(O)c(OC)ccc1)
CPD-401               InChI=1/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,1
           C(N)CC(=O)NC(C(O)=O)Cc1(n(C)cnc1)
CPD-402               InChI=1/C8H9NO2/c1-9-7-5-3-2-4-6(7)8(10)11/h2-5,9H,1H3,(H,10,11)
           C(O)(=O)c1(c(NC)cccc1)
CPD-4022              InChI=1/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2
           c1(c(cncn1)C(O)(C2(CC2))c3(ccc(OC)cc3))
CPD-4023              InChI=1/C12H13Cl2N3O2/c1-12(18,9-4-3-8(13)5-10(9)14)11(19-2)17-7-15-6-16-17/h3-7,11,18H,1-2H3
           C(OC)(N1(N=CN=C1))C(O)(C)C2(=C(Cl)C=C(Cl)C=C2)
CPD-4024              InChI=1/C17H25N3O2/c1-17(2,3)16(21)15(20-13-18-12-19-20)10-7-11-22-14-8-5-4-6-9-14/h4-6,8-9,12
           CC(C)(C)C(O)C(N1(C=NC=N1))CCCOC2(C=CC=CC=2)
CPD-403               InChI=1/C8H9NO3/c1-4-2-3-5(8(11)12)6(9)7(4)10/h2-3,10H,9H2,1H3,(H,11,12)
           C(O)(=O)c1(c(N)c(O)c(C)cc1)
CPD-404               InChI=1/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)
           C(=O)(O)C(NC)CCC(=O)O
CPD-4041              InChI=1/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
           c1(c2(c(c(O)cc1)C(=O)C=CC(=O)2))
CPD-406               InChI=1/C3H10NO4P/c1-4-2-3-8-9(5,6)7/h4H,2-3H2,1H3,(H2,5,6,7)
           C(NC)COP(O)(O)=O
CPD-4061              InChI=1/C14H16ClN3O2/c1-14(2,3)12(19)13(18-16-8-9-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
           CC(C)(C)C(=O)C(N1(N=CC=N1))OC2(C=CC(Cl)=CC=2)
CPD-407               InChI=1/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,
           C(=O)(O)C(C)NC(=O)CCC(N)C(O)=O
CPD-408               InChI=1/C4H8N2O4/c5-2(1-3(7)8)4(9)6-10/h2,10H,1,5H2,(H,6,9)(H,7,8)
           C(=O)(NO)C(N)CC(O)=O
CPD-4081              InChI=1/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)1
           CC(C)C(=C)CCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4([CH](CC3)C(C)C(O)CC4)(C))))
CPD-41     [Fe]       InChI=1/Fe
CPD-4101              InChI=1/C29H48O/c1-18(2)19(3)8-9-20(4)23-12-13-25-22-10-11-24-21(5)27(30)15-17-29(24,7)26(22)1
           CC(C)C(=C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](CC=3)C(C)C(O)CC4)(C))))
CPD-411               InChI=1/C13H18N2O3/c14-7-1-2-8-15-13(18)6-4-10-3-5-11(16)12(17)9-10/h3-6,9,16-17H,1-2,7-8,14H
           C(CCCN)NC(=O)C=Cc1(cc(O)c(O)cc1)
CPD-412               InChI=1/C16H16O7/c17-11-4-1-9(2-5-11)3-6-14(19)23-13-8-10(16(21)22)7-12(18)15(13)20/h1-7,12-13
           C(=O)(O)C1(CC(C(O)C(C=1)O)OC(=O)C=CC2(=CC=C(O)C=C2))
CPD-4122              InChI=1/C22H24O9/c1-27-10-2-4-12-14-9-28-15-7-11(3-5-13(15)21(14)30-16(12)6-10)29-22-20(26)19
           C1(Oc4(c([CH]2([CH]1c3(c(O2)cc(cc3)OC)))ccc(c4)OC5(C(O)C(O)C(O)C(O5)CO)))
CPD-4123              InChI=1/C25H26O12/c1-32-11-2-4-13-15-9-33-16-7-12(3-5-14(16)24(15)36-17(13)6-11)35-25-23(31)2
           C3(Oc2(cc(OC1(OC(C(O)C(O)C1O)COC(=O)CC(=O)O))ccc2[CH]4([CH]3c5(c(O4)cc(cc5)OC))))
CPD-4124              InChI=1/C30H50O/c1-8-22(19(2)3)10-9-20(4)24-13-14-26-23-11-12-25-21(5)28(31)16-18-30(25,7)27(2
           CC=C(C(C)C)CC[CH](C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C)([CH](CC=3)C(C)C(O)CC4))))
CPD-4125              InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)1
           CC(C)C(=CC)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](CC=3)CC(O)CC4)(C))))
CPD-4126              InChI=1/C29H46O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)1
           CC(C)C(=CC)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC=3)CC(O)CC4)(C))))
CPD-4127              InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)1
           CC(C)C(=CC)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC3)CC(O)CC4)(C))))
CPD-413               InChI=1/C16H18O11/c1-26-9-6-8(4-2-7(9)3-5-10(17)18)27-16(25)14(22)12(20)11(19)13(21)15(23)24/h
           C(=O)(O)C=Cc1(c(OC)cc(cc1)OC(=O)C(O)C(O)C(O)C(O)C(O)=O)
CPD-414               InChI=1/C13H21NO10/c1-5(16)14-9-8(23-6(2)17)3-13(22,12(20)21)24-11(9)10(19)7(18)4-15/h7-11,15
           C(O)(=O)C1(OC(C(O)C(O)CO)C(NC(=O)C)C(C1)OC(=O)C)(O)
CPD-4141              InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
           CC(C)=C(C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC3)CC(O)CC4)(C))))
CPD-4142              InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)1
           CC(C)=C(CC)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC3)CC(O)CC4)(C))))
CPD-4143              InChI=1/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)1
           CC(C)C(CC)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC3)CC(O)CC4)(C))))
CPD-416               InChI=1/C17H20O9/c1-25-13-6-9(2-4-10(13)18)3-5-14(21)26-15-11(19)7-17(24,16(22)23)8-12(15)20/h
           C(O)(=O)C1(CC(O)[CH](C(O)C1)OC(=O)C=Cc2(cc(OC)c(O)cc2))(O)
CPD-4161              InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
           CC(C)C(C)C=CC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC3)CC(O)CC4)(C))))
CPD-4162              InChI=1/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)1
           CC(C)C(CC)C=CC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC3)CC(O)CC4)(C))))
CPD-417               InChI=1/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)
           CC13(C(=CC(=O)CC1)CC[CH]2([CH]4(C(CC(O)[CH]23)(C)C(CC4)(O)C(=O)COC(=O)C)))
CPD-418               InChI=1/C5H9NO5S2/c7-5(8)3-1-12-4(6-3)2-13(9,10)11/h3-4,6H,1-2H2,(H,7,8)(H,9,10,11)
           C1([CH](C(O)=O)NC(S1)CS(=O)(O)=O)
CPD-4181              InChI=1/C29H50O/c1-19(2)8-7-9-20(3)22-12-14-27(6)25-11-10-23-21(4)24(30)13-15-28(23)18-29(25,2
           CC(C)CCCC(C)C1(C5(C)(C(C)(CC1)C2(C4(C3([CH](CC2)C(C)C(O)CC3)(C4))(CC5))))
CPD-4182              InChI=1/C29H50O/c1-19(2)9-8-10-20(3)22-13-17-29(7)25-12-11-23-21(4)26(30)15-16-27(23,5)24(25)1
           CC(C)CCCC(C)C1(C2(C)(C(CC1)(C)C3(=C(CC2)C4(C(CC3)C(C)C(O)CC4)(C))))
CPD-4183              InChI=1/C28H46O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-1
           CC(C)CCCC(C)C1(C2(C)(C(=CC1)C3(=C(CC2)C4(C(CC3)C(C)C(O)CC4)(C))))
CPD-4184              InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-1
           CC(C)CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C(CC3)C(C)C(O)CC4)(C))))
CPD-4185              InChI=1/C28H48O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-1
           CC(C)CCCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(CC=3)C(C)C(O)CC4)(C))))
CPD-4186              InChI=1/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-2
           CC(C)CCCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(CC=3)CC(O)CC4)(C))))
CPD-4187              InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-2
           CC(C)CCCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC=3)CC(O)CC4)(C))))
CPD-419               InChI=1/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4
           CCCCCCCCCCCCCCCC(=O)OC(C[N+1](C)(C)C)CC(=O)[O-1]
CPD-420               InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)
           C(=O)(O)C(CC(O)=O)NC(C)=O
CPD-4201              InChI=1/C15H24N5O13P3/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(31-15)5-3
           C(OP(O)(=O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(ncn3)NCC=C(C)C)))
CPD-4202              InChI=1/C15H24N5O14P3/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(32-15
           C1(C(O)C(O)C(O1)COP(=O)(O)OP(=O)(O)OP(O)(O)=O)n2(c3(c(nc2)c(ncn3)NCC=C(C)CO))
CPD-4203                InChI=1/C15H23N5O10P2/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(29-15)5-2
           C(OP(O)(=O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(ncn3)NCC=C(C)C)))
CPD-4204                InChI=1/C15H23N5O11P2/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(30-15
           C1(C(O)C(O)C(O1)COP(=O)(O)OP(O)(O)=O)n2(c3(c(nc2)c(ncn3)NCC=C(C)CO))
CPD-4205                InChI=1/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-
           C1(C(O)C(O)C(O1)COP(O)(O)=O)n2(c3(c(nc2)c(ncn3)NCC=C(C)C))
CPD-4206                InChI=1/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-
           C1(C(O)C(O)C(O1)COP(O)(O)=O)n2(c3(c(nc2)c(ncn3)NCC=C(C)CO))
CPD-4207                InChI=1/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h
           C1(C(O)C(O)C(O1)CO)n2(c3(c(nc2)c(ncn3)NCC=C(C)C))
CPD-4208                InChI=1/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-1
           C1(C(O)C(O)C(O1)CO)n2(c3(c(nc2)c(ncn3)NCC=C(C)CO))
CPD-4209                InChI=1/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15
           c2(ncnc1(c(ncn1)2))(NCC=C(C)C)
CPD-421                 InChI=1/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,1
           C(=O)(CCC(=O)O)NC(C(O)=O)CCCNC(N)=N
CPD-4210                InChI=1/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,1
           c2(ncnc1(c(ncn1)2))(NCC=C(C)CO)
CPD-4211                InChI=1/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h3H,4H2,1-2H3,(H,9,10)(H2,6,7,8)
           C(C=C(C)C)OP(O)(=O)OP(O)(=O)O
CPD-422                 InChI=1/C10H9NO5/c12-8(5-9(13)14)11-7-4-2-1-3-6(7)10(15)16/h1-4H,5H2,(H,11,12)(H,13,14)(H,15,1
           C(O)(=O)c1(c(cccc1)NC(=O)CC(=O)O)
CPD-4222                InChI=1/C22H22O10/c23-6-17-18(24)19(25)20(26)22(32-17)30-9-1-2-10-13(3-9)27-7-12-11-4-15-16(2
           C3(Oc1(c(ccc(c1)OC2(C(O)C(O)C(O)C(O2)CO))[CH]4([CH]3c5(c(O4)cc6(c(c5)OCO6)))))
CPD-4223                InChI=1/C25H24O13/c26-19(27)6-20(28)33-8-18-21(29)22(30)23(31)25(38-18)36-10-1-2-11-14(3-10)3
           C(=O)(CC(=O)O)OCC1(OC(C(O)C(O)C(O)1)Oc2(cc3(c(cc2)[CH]4([CH](CO3)c5(c(O4)cc6(c(c5)OCO6))))))
CPD-423                 InChI=1/C14H11NO3/c16-13(10-6-2-1-3-7-10)15-12-9-5-4-8-11(12)14(17)18/h1-9H,(H,15,16)(H,17,18)
           C(O)(=O)c1(c(cccc1)NC(=O)c2(ccccc2))
CPD-424                 InChI=1/C8H11N3O3/c1-5(12)11-7(8(13)14)2-6-3-9-4-10-6/h3-4,7H,2H2,1H3,(H,9,10)(H,11,12)(H,13,1
           CC(=O)NC(C(O)=O)Cc1(nc[nH]c1)
CPD-4241                InChI=1/C19H24N2O2/c1-2-9-10-7-13-16-19(11-5-3-4-6-12(11)20-16)8-14(15(10)17(19)22)21(13)18(9
           C3([CH](CC)C1(C6([CH]2(CC4([CH]([CH](C1)N23)Nc5(c4cccc5))(C(O)6)))))(O)
CPD-4242                InChI=1/C20H26N2O2/c1-3-10-11-8-14-17-20(12-6-4-5-7-13(12)21(17)2)9-15(16(11)18(20)23)22(14)1
           C3([CH](CC)C1(C6([CH]2(CC4([CH]([CH](C1)N23)N(C)c5(c4cccc5))(C(O)6)))))(O)
CPD-4243                InChI=1/C19H22N2O2/c1-2-10-8-21-17-7-14-13-5-11(23)3-4-16(13)20-19(14)18(21)6-12(10)15(17)9-2
           CC=C1(C2([CH](CO)[CH]3(N(C1)[CH](C2)c4(c(C3)c5(c(n4)ccc(O)c5)))))
CPD-425                 InChI=1/C9H9NO3/c11-8(12)6-10-9(13)7-4-2-1-3-5-7/h1-5H,6H2,(H,10,13)(H,11,12)
           C(NCC(=O)O)(=O)c1(ccccc1)
CPD-4261                InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
           CC12(CCC(C(C)(O1)C)CC2)
CPD-428                 InChI=1/C21H38O6/c1-8-16-12(4)19(24)13(5)17(22)10(2)9-11(3)18(23)14(6)20(25)15(7)21(26)27-16/h
           CCC1(C(C)C(O)C(C)C(=O)C(C)CC(C)C(O)C(C)C(O)C(C)C(O1)=O)
CPD-4281                InChI=1/C16H16O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-19
           C2([CH](c1(c(O)cc(OC)cc1))[CH]([OH2+1])c3(c(O2)cc(O)cc3))
CPD-4283                InChI=1/C16H15O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-8,11,17-18H,9
           C2([CH](c1(c([OH])cc(OC)cc1))[CH+1]c3(c(O2)cc(O)cc3))
CPD-4284                InChI=1/C16H17O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,16-18
           C2([CH](c1(c(O)cc(OC)cc1))[CH]([OH2])c3(c(O2)cc([OH])cc3))
CPD-4285                InChI=1/C16H15O4/c1-19-13-4-5-14(15(18)8-13)11-6-10-2-3-12(17)7-16(10)20-9-11/h2-8,11,17-18H,9
           C2([CH](c1(c([OH])cc(OC)cc1))[CH]=C3(C(O2)=CC(=[OH])C=C3))
CPD-429                 InChI=1/C43H74O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39(47)50-38-28-34-36(45)27-33-32(4
           CCCCCCCCCCCCCCCC(=O)OC1(C[CH]2(C(CC(O)1)(C)C3(C(=CC(=O)2)C4(C(CC3)(C)C(CC4)C(C)C(O)CCC(C)(O)C)(O))))
CPD-43                  InChI=1/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
           C(Cl)(Cl)(Cl)C(c1(ccc(Cl)cc1))c2(ccc(Cl)cc2)
CPD-430                 InChI=1/C19H20N2O4/c22-17(14-8-3-1-4-9-14)20-13-7-12-16(19(24)25)21-18(23)15-10-5-2-6-11-15/h
           C(O)(=O)C(NC(=O)c1(ccccc1))CCCNC(=O)c2(ccccc2)
CPD-4302                InChI=1/C16H14O5/c1-21-16-8-12(18)6-7-13(16)15(20)9-14(19)10-2-4-11(17)5-3-10/h2-9,17-19H,1H3
           COc1(c(ccc(c1)O)C(=O)C=C(O)c2(ccc(O)cc2))
CPD-431                 InChI=1/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
           c1(ccc(O)cc1)C2(Oc3(c(C(C=2)=O)c(O)cc(c3)O))
CPD-433                 InChI=1/C8H15NO3/c1-5(2)4-7(8(11)12)9-6(3)10/h5,7H,4H2,1-3H3,(H,9,10)(H,11,12)
           C(=O)(O)C(NC(=O)C)CC(C)C
CPD-434                 InChI=1/C5H6N2O/c1-5(8)7-3-2-6-4-7/h2-4H,1H3
           c1(n(C(=O)C)cnc1)
CPD-435    CC(=O)S InChI=1/C2H4OS/c1-2(3)4/h1H3,(H,3,4)
CPD-436                 InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H
           c1(c(ccc(O)c1)C=Cc2(cc(O)cc(O)c2))
CPD-4361                InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,1
           [CH3]C12([CH]3([CH]([CH2][CH]=C([CH2][CH]([OH])[CH2][CH2]1)2)[CH]4(C([CH3])([CH2][CH2]3)[CH]([CH2][CH2]4)C
CPD-438                 InChI=1/C14H12O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-10,15-16H
           c1(c(cc(O)cc(O)1)C=Cc2(ccccc2))
CPD-439                 InChI=1/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)
           C(=O)(O)C(NC(=O)C)Cc1(ccccc1)
CPD-44                  InChI=1/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
           C(C(O)=O)SCC(N)C(O)=O
CPD-440                 InChI=1/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,2
           C(Cc1(ccc(O)cc1))NC(=O)C=Cc2(cc(OC)c(O)cc2)
CPD-4401                InChI=1/C8H9NO2/c10-8-3-1-7(2-4-8)5-6-9-11/h1-4,6,10-11H,5H2
           [CH](=NO)Cc1(ccc(O)cc1)
CPD-4402                InChI=1/C15H12O4/c16-8-2-4-11-13(5-8)18-7-12-10-3-1-9(17)6-14(10)19-15(11)12/h1-6,12,15-17H,7H
           C2(Oc1(c(ccc(c1)O)[CH]3([CH]2c4(c(O3)cc(O)cc4))))
CPD-4403                InChI=1/C20H20O5/c1-11(2)3-5-13-16(22)8-6-14-18(13)24-10-20(23)15-7-4-12(21)9-17(15)25-19(14)2
           CC(C)=CCc1(c(O)ccc2([CH]3(C(O)(COc12)c4(c(O3)cc(O)cc4))))
CPD-4404                InChI=1/C20H20O5/c1-11(2)3-4-12-7-14-17(9-16(12)22)24-10-20(23)15-6-5-13(21)8-18(15)25-19(14)2
           CC(C)=CCc1(c(O)cc2(c(c1)[CH]3(C(O)(CO2)c4(c(O3)cc(O)cc4))))
CPD-4405                InChI=1/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(1
           CC1(C)(C=Cc2(c(O1)ccc3(c2OCC4(O)([CH]3Oc5(c4ccc(O)c5)))))
CPD-4406                InChI=1/C20H18O5/c1-19(2)6-5-11-7-13-16(9-15(11)25-19)23-10-20(22)14-4-3-12(21)8-17(14)24-18(1
           CC1(C)(Oc2(c(C=C1)cc3(c(c2)OCC4(O)([CH]3Oc5(c4ccc(O)c5)))))
CPD-4407                InChI=1/C20H18O5/c1-10(2)15-6-11-5-13-17(8-16(11)24-15)23-9-20(22)14-4-3-12(21)7-18(14)25-19(1
           C=C(C)C1(Oc2(c(C1)cc3(c(c2)OCC4(O)([CH]3Oc5(c4ccc(O)c5)))))
CPD-4422                InChI=1/Cr.4O/q;;;2*-1
           O=[Cr]([O-1])([O-1])=O
CPD-443               InChI=1/C10H15N4O10P/c15-4-2(1-23-25(20,21)22)24-8(5(4)16)14-6-3(11-10(14)19)7(17)13-9(18)12-
           C(OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c([nH]c2=O)c(=O)[nH]c([nH]3)=O)))
CPD-444               InChI=1/C6H13O7PS/c1-15-2-3-4(7)5(8)6(12-3)13-14(9,10)11/h3-8H,2H2,1H3,(H2,9,10,11)
           C1(OC(CSC)C(O)C(O)1)(OP(O)(=O)O)
CPD-4441              InChI=1/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,1
           CC(CO)=CCNc1(ncnc2(c1nc[nH]2))
CPD-4442              InChI=1/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-1
           C1(O[CH](CO)C(O)C(O)1)N2(c3(c(N=C2)c(ncn3)NCC=C(C)CO))
CPD-4443              InChI=1/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-
           C1(O[CH](C(O)C(O)1)COP(O)(=O)O)N2(c3(c(N=C2)c(ncn3)NCC=C(C)CO))
CPD-446               InChI=1/C12H16NO7/c14-5-7-8(15)9(16)10(17)11(20-7)13-3-1-2-6(4-13)12(18)19/h1-4,7-11,14-17H,5
           C1(N(=CC=CC=1C(=O)O)C2(C(O)C(O)C(O)C(O2)CO))
CPD-4461              InChI=1/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
           CC1(C(=O)c2(c(C(=O)C=1)c([OH])ccc2))
CPD-4462              InChI=1/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,1
           C1([CH]3([CH](c2(c(O1)cc(O)cc2))Oc4(c3cc5(c(c4)OCO5))))
CPD-448               InChI=1/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)
           C1(C(O)C(O)C(O)C(O1)CO)(OP(O)(=O)O)
CPD-4482              InChI=1/C5H8O2/c1-5(4-7)2-3-6/h2-3,7H,4H2,1H3
           C(=O)C=C(C)CO
CPD-4483              InChI=1/C5H8O2/c1-5(4-7)2-3-6/h2-3,7H,4H2,1H3
           C(=O)C=C(C)CO
CPD-449               InChI=1/C9H19O11P/c10-1-5-6(12)7(13)8(14)9(20-5)18-2-4(11)3-19-21(15,16)17/h4-14H,1-3H2,(H2,1
           C(OP(O)(=O)O)C(O)COC1(OC(CO)C(O)C(O)C(O)1)
CPD-45                InChI=1/C9H4O6/c10-4-1-3-7(6(12)2-5(4)11)9(14)15-8(3)13/h1-2,12H,(H,10,11)
           C1(OC(=O)c2(c1c(O)cc(=O)c(O)c2))(=O)
CPD-4501              InChI=1/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15
           c1(cn(cn1)CC(c2(c(Cl)cc(Cl)cc2))OCc3(c(Cl)cc(Cl)cc3))
CPD-4503              InChI=1/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23
           [CH3]C(=O)N1([CH2][CH2]N([CH2][CH2]1)c2([cH][cH]c([cH][cH]2)O[CH2][CH]4(OC([CH2]n3([cH]n[cH][cH]3))(O[CH2
CPD-4504              InChI=1/C20H39NO/c1-15(12-21-13-16(2)22-17(3)14-21)11-18-7-9-19(10-8-18)20(4,5)6/h15-19H,7-14
           [CH3][CH]1([CH2]N([CH2][CH](O1)[CH3])[CH2][CH]([CH3])[CH2]c2([cH][cH]c(C([CH3])([CH3])[CH3])[cH][cH]2))
CPD-4505              InChI=1/C19H39NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-16-18(2)21-19(3)17-20/h18-19H,4-17H2,1-3
           [CH2]1(N([CH2][CH]([CH3])O[CH]([CH3])1)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3
CPD-4506              InChI=1/C21H20F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)2
           [CH]1(=[CH]N([CH]=[CH]N1[CH3])[CH2][CH2][CH2]N3(c2(c([cH][cH]c([cH]2)C(F)(F)F)Sc4(c3[cH][cH][cH][cH]4))))
CPD-4507              InChI=1/C16H21ClN2O2S/c17-15-9-5-8-14-13(15)7-6-10-16(14)22(20,21)19-12-4-2-1-3-11-18/h5-10,1
           [CH2]([NH2])[CH2][CH2][CH2][CH2][CH2][NH]S(=O)(=O)c1(c2(c([cH][cH][cH]1)c(Cl)[cH][cH][cH]2))
CPD-4521              InChI=1/C22H28Cl2N2/c23-21-7-3-1-5-19(21)15-25-13-17-9-11-18(12-10-17)14-26-16-20-6-2-4-8-22(2
           [CH2](c1(c(Cl)[cH][cH][cH][cH]1))[NH][CH2][CH]2([CH2][CH2][CH]([CH2][CH2]2)[CH2][NH][CH2]c3(c(Cl)[cH][cH][cH
CPD-4522              InChI=1/C27H50ClNO2/c1-4-29(5-2)18-19-31-26-16-12-24(13-17-26)27(30,23-10-6-21(3)7-11-23)20-2
           [CH3][CH2]N([CH2][CH3])[CH2][CH2]Oc1([cH][cH]c([cH][cH]1)C(c2([cH][cH]c([CH3])[cH][cH]2))([OH])[CH2]c3([cH][
CPD-4523              InChI=1/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23
           [CH2]1(N([CH2][CH2][CH2][CH2]1)[CH2][CH2]OC2(=[CH][CH]=C([CH]=[CH]2)C(=O)C4(=C(C3(=[CH][CH]=C([OH])[CH
CPD-453               InChI=1/C13H16O8/c14-5-8-9(15)10(16)11(17)13(21-8)20-7-3-1-6(2-4-7)12(18)19/h1-4,8-11,13-17H,5
           C1(OC(CO)C(O)C(O)C(O)1)Oc2(ccc(C(=O)O)cc2)
CPD-454               InChI=1/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-10(24)15(29)18(4-21,33-7)34-17-14(28
           C1(OC(CO)C(O)C(O)C(O)1)OCC2(OC(C(O)C(O)2)(CO)OC3(C(O)C(O)C(O)C(O3)CO))
CPD-4541              InChI=1/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-1
           CCC(c1(ccccc1))=C(c2(cc[cH]cc2))c3(ccc(cc3)OCCN(C)C)
CPD-4542              InChI=1/C26H45NO/c1-18(7-6-16-27(4)5)22-10-11-23-21-9-8-19-17-20(28)12-14-25(19,2)24(21)13-15
           CC(CCCN(C)C)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2)C4(C)(C(=CC3)CC(O)CC4))))
CPD-4543              InChI=1/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9
           CC(C)C(C#N)(c1(ccccc1))CCCN(C)CCc2(ccccc2)
CPD-4544   [Te](=O)=O InChI=1/O2Te/c1-3-2
CPD-455               InChI=1/C14H21NO8/c1-6-10(18)8(3-16)7(2-15-6)5-22-14-13(21)12(20)11(19)9(4-17)23-14/h2,9,11-14
           C1(OC(CO)C(O)C(O)C(O)1)OCc2(c(CO)c(O)c(C)nc2)
CPD-456               InChI=1/C9H19O11P/c10-1-4(3-18-21(15,16)17)19-9-8(14)7(13)6(12)5(2-11)20-9/h4-14H,1-3H2,(H2,1
           C(O)C(COP(O)(=O)O)OC1(OC(CO)C(O)C(O)C(O)1)
CPD-4561              InChI=1/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26
           C1(C(O)C(O)C(O)C(O1)CO)Oc3(cc2(OC=C(C(=O)c2cc3)c4(ccc(cc4)OC)))
CPD-4562              InChI=1/C25H24O12/c1-33-13-4-2-12(3-5-13)16-10-34-17-8-14(6-7-15(17)21(16)29)36-25-24(32)23(3
           C(O)(=O)CC(=O)OCC1(OC(C(O)C(O)C1O)Oc2(cc3(c(cc2)C(=O)C(=CO3)c4(ccc(OC)cc4))))
CPD-4563              InChI=1/C22H22O10/c1-29-11-4-2-10(3-5-11)13-9-30-15-7-12(6-14(24)17(15)18(13)25)31-22-21(28)2
           C3(=c(c1(ccc(OC)cc1))c(=O)c2(c(O)cc(cc2o3)OC4(OC(CO)C(O)C(O)C4O)))
CPD-4564              InChI=1/C25H24O13/c1-34-12-4-2-11(3-5-12)14-9-35-16-7-13(6-15(26)20(16)21(14)30)37-25-24(33)2
           C3(=c(c1(ccc(cc1)OC))c(=O)c2(c(O)cc(cc2o3)OC4(OC(C(O)C(O)C4O)COC(=O)CC(=O)O)))
CPD-4565              InChI=1/C17H14O7/c1-21-12-5-14-13(23-7-24-14)4-9(12)10-6-22-15-3-8(18)2-11(19)16(15)17(10)20/h
           C1(C(C(=O)c2(c(O1)cc(O)cc(O)2))c3(c(OC)cc4(c(c3)OCO4)))
CPD-4566              InChI=1/C23H24O12/c1-30-13-5-15-14(32-8-33-15)4-10(13)11-7-31-16-3-9(2-12(25)18(16)19(11)26)3
           C3(C(c1(c(OC)cc2(c(c1)OCO2)))C(=O)c4(c(O3)cc(cc(O)4)OC5(OC(CO)C(O)C(O)C(O)5)))
CPD-4567              InChI=1/C26H26O15/c1-35-14-5-16-15(38-9-39-16)4-11(14)12-7-36-17-3-10(2-13(27)21(17)22(12)31)
           C4(C(c1(c(OC)cc2(c(c1)OCO2)))C(=O)c3(c(O)cc(cc3O4)OC5(OC(C(O)C(O)C5O)COC(=O)CC(=O)O)))
CPD-4568              InChI=1/C30H50O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)
           CC(C)=CCCC(C)C1(C2(C)(C(CO)(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)(C)C(O)CC4))))
CPD-4569              InChI=1/C17H16O6/c1-21-10-3-4-11(14(7-10)22-2)12-8-23-15-6-9(18)5-13(19)16(15)17(12)20/h3-7,12
           C2(C(c1(c(OC)cc(OC)cc1))C(=O)c3(c(O2)cc(O)cc(O)3))
CPD-457               InChI=1/C15H18O8/c16-7-10-14(12(19)13(20)15(21)23-10)22-9-4-1-8(2-5-9)3-6-11(17)18/h1-6,10,12-
           C1(C(O)C(O)C(C(O1)CO)Oc2(ccc(cc2)C=CC(=O)O))(O)
CPD-4570              InChI=1/C23H26O11/c1-30-10-3-4-12(15(6-10)31-2)13-9-32-16-7-11(5-14(25)18(16)19(13)26)33-23-2
           C2(C(c1(c(OC)cc(OC)cc1))C(=O)c3(c(O2)cc(cc(O)3)OC4(OC(CO)C(O)C(O)C(O)4)))
CPD-4571              InChI=1/C26H28O14/c1-35-11-3-4-13(16(6-11)36-2)14-9-37-17-7-12(5-15(27)21(17)22(14)31)39-26-2
           C2(C(c1(c(OC)cc(OC)cc1))C(=O)c3(c(O2)cc(cc(O)3)OC4(OC(C(O)C(O)C(O)4)COC(=O)CC(O)=O)))
CPD-4573              InChI=1/C30H48O2/c1-20(2)9-8-10-21(3)22-14-18-30(19-31)24-11-12-25-27(4,5)26(32)15-16-28(25,6)
           CC(C)=CCCC(C)C1(C2(C)(C(C=O)(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)(C)C(O)CC4))))
CPD-4574              InChI=1/C30H48O3/c1-19(2)9-8-10-20(3)23-17-26(33)30(18-31)22-11-12-24-27(4,5)25(32)14-15-28(24
           CC(C)=CCCC(C)C1(C2(C)(C(C=O)(C(C1)O)C3(=C(CC2)C4(C)(C(CC3)C(C)(C)C(O)CC4))))
CPD-4575              InChI=1/C29H48O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-
           CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)(CO)C(O)CC4))))
CPD-4576              InChI=1/C29H46O2/c1-19(2)8-7-9-20(3)22-11-12-23-21-10-13-25-28(5,24(21)14-16-27(22,23)4)17-15-
           CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)(C=O)C(O)CC4))))
CPD-4577              InChI=1/C29H46O3/c1-18(2)8-7-9-19(3)21-11-12-22-20-10-13-24-28(5,23(20)14-16-27(21,22)4)17-15-
           CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)(C(O)=O)C(O)CC4))))
CPD-4578              InChI=1/C28H44O/c1-18(2)8-7-9-19(3)22-12-13-24-21-10-11-23-20(4)26(29)15-17-28(23,6)25(21)14-1
           CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)C(=O)CC4))))
CPD-4579              InChI=1/C28H46O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)
           CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)C(CO)C(O)CC4))))
CPD-458               InChI=1/C12H22O11/c13-1-2-3(14)4(15)10(21)12(22-2)23-11-8(19)6(17)5(16)7(18)9(11)20/h2-21H,1H
           C1(C(O)C(O)C(O)C(O1)CO)OC2(C(O)C(O)C(O)C(O)C(O)2)
CPD-4580              InChI=1/C28H44O2/c1-18(2)7-6-8-19(3)22-11-12-23-20-9-10-24-21(17-29)26(30)14-16-28(24,5)25(20)
           CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C=O)C(O)CC4))))
CPD-4581              InChI=1/C27H42O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-2
           CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)CC(=O)CC4))))
CPD-4584              InChI=1/3O.V/q;;-1;
           O=[V]([O-1])=O
CPD-4585              InChI=1/C40H50O14/c1-25(15-12-20-28-16-6-4-7-17-28)14-10-11-22-31(42)52-33-32(43)38(53-34(35(
           CC(Cc1(ccccc1))C(OC(C)=O)CCCC23(OC(C(O)(C(O)=O)[CH](O2)C(=O)O)(C(O)=O)C(C(O)3)OC(=O)CCC=CC(C)CCCc4(cc
CPD-4586              InChI=1/C17H12O6/c18-8-2-1-3-10-13(8)15(20)14-9(19)6-11-12(16(14)22-10)7-4-5-21-17(7)23-11/h1-
           C15(OCCC(c2(c(O1)cc(O)c3(c(=O)c4(c(oc23)cccc(O)4))))5)
CPD-4587              InChI=1/C18H14O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17
           C15(OCCC(c2(c(O1)cc(OC)c3(c(=O)c4(c(oc23)cccc(O)4))))5)
CPD-4588              InChI=1/C19H16O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25
           C15(OCCC(c2(c(O1)cc(OC)c3(c(=O)c4(c(oc23)cccc4OC))))5)
CPD-4589              InChI=1/C19H14O7/c1-22-10-4-3-9(20)14-16(21)15-11(23-2)7-12-13(18(15)26-17(10)14)8-5-6-24-19(8
           C15(OC=CC(c2(c(O1)cc(OC)c3(c(=O)c4(c(oc23)c(OC)ccc(O)4))))5)
CPD-459               InChI=1/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-
           C1(C(O)C(O)C(O)C(O1)CO)Oc2(c(C=CC(=O)O)cccc2)
CPD-4590              InChI=1/C17H10O6/c18-8-2-1-3-9-13(8)16(20)14-11(22-9)6-10-12(15(14)19)7-4-5-21-17(7)23-10/h1-7
           C15(OC=CC(c2(c(O1)cc3(c(c2O)c(=O)c4(c(o3)cccc(O)4))))5)
CPD-4591              InChI=1/C20H16O8/c1-23-10-7-11-13(8-4-5-26-20(8)27-11)18-15(10)16(22)14-9(21)6-12(24-2)17(25-3
           C15(OC=CC(c2(c(O1)cc(OC)c3(c(=O)c4(c(oc23)c(OC)c(OC)cc(O)4))))5)
CPD-4592              InChI=1/C17H12O6/c1-20-10-6-11-14(8-4-5-21-17(8)22-11)15-13(10)7-2-3-9(18)12(7)16(19)23-15/h4-
           c2(oc3(c(c1(CCC(=O)c12))c(OC)cc4(c3[CH]5([CH](O4)OC=C5))))(=O)
CPD-46                InChI=1/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6
           CC(C)(CO)C(O)C(=O)NCCC(=O)NC(C(O)=O)CS
CPD-460               InChI=1/C16H20N2O2/c1-10(2)6-7-11-4-3-5-14-15(11)12(9-18-14)8-13(17)16(19)20/h3-6,9,13,18H,7-8
           CC(C)=CCc2(c1(c(CC(N)C(O)=O)c[nH]c1ccc2))
CPD-4602              InChI=1/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)20-7-21(10)16-13(25)12(24)11(23)9(5-22)2
           c2(c1(N(C=Nc1ncn2)C3(OC(CO)C(O)C(O)C(O)3)))(NCC=C(C)C)
CPD-4603              InChI=1/C16H23N5O5/c1-8(2)3-4-17-14-10-15(19-6-18-14)21(7-20-10)16-13(25)12(24)11(23)9(5-22)2
           c1(c2(c(ncn1)N(C=N2)C3(OC(CO)C(O)C(O)C(O)3)))(NCC=C(C)C)
CPD-4604              InChI=1/C12H11N5/c1-2-4-9(5-3-1)6-13-11-10-12(15-7-14-10)17-8-16-11/h1-5,7-8H,6H2,(H2,13,14,15
           c2(ncnc1(c(N=CN1)2))(NCc3(ccccc3))
CPD-4607              InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-17-12(23)16(20-8-21-17)19-6-1
           c2(c1(N(C=Nc1ncn2)C3(OC(CO)C(O)C(O)C(O)3)))(NCc4(ccccc4))
CPD-4608              InChI=1/C18H21N5O5/c24-7-11-13(25)14(26)15(27)18(28-11)23-9-22-12-16(20-8-21-17(12)23)19-6-1
           c1(c2(c(ncn1)N(C=N2)C3(OC(CO)C(O)C(O)C(O)3)))(NCc4(ccccc4))
CPD-4609              InChI=1/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,1
           c2(ncnc1(c(NC=N1)2))(NCc3(occc3))
CPD-461               InChI=1/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,
           CC(C)=CCCC(C)=CCOP(O)(=O)OP(O)(=O)O
CPD-4610              InChI=1/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-15-10(21)14(18-6-19-15)17-4-8-2-
           c2(c1(N(C=Nc1ncn2)C3(OC(CO)C(O)C(O)C(O)3)))(NCc4(occc4))
CPD-4611              InChI=1/C16H19N5O6/c22-5-9-11(23)12(24)13(25)16(27-9)21-7-20-10-14(18-6-19-15(10)21)17-4-8-2-
           c1(c2(c(ncn1)N(C=N2)C3(OC(CO)C(O)C(O)C(O)3)))(NCc4(occc4))
CPD-4612              InChI=1/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-2
           c2(c1(N(C=Nc1ncn2)C3(OC(CO)C(O)C(O)C(O)3)))(NCC=C(C)CO)
CPD-4613              InChI=1/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-2
           c1(c2(c(ncn1)N(C=N2)C3(OC(CO)C(O)C(O)C(O)3)))(NCC=C(C)CO)
CPD-4614              InChI=1/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-2
           c2(c1(c(NC=N1)ncn2))NCC=C(C)COC3(OC(CO)C(O)C(O)C(O)3)
CPD-4615              InChI=1/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-2
           c2(c1(N(C=Nc1ncn2)C3(OC(CO)C(O)C(O)C(O)3)))(NCCC(C)CO)
CPD-4616              InChI=1/C16H25N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-2
           c1(c2(c(ncn1)N(C=N2)C3(OC(CO)C(O)C(O)C(O)3)))(NCCC(C)CO)
CPD-4617              InChI=1/C16H25N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-2
           c2(c1(c(NC=N1)ncn2))NCCC(C)COC3(OC(CO)C(O)C(O)C(O)3)
CPD-4618              InChI=1/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)20-7-21(10)16-13(26)12(25)11(24)9(5-2
           c2(c1(N(C=Nc1ncn2)C3(OC(CO)C(O)C(O)C(O)3)))(NCC=C(C)CO)
CPD-4619              InChI=1/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-2
           c1(c2(c(ncn1)N(C=N2)C3(OC(CO)C(O)C(O)C(O)3)))(NCC=C(C)CO)
CPD-462               InChI=1/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
           C1(C(N)CCO1)(=O)
CPD-4620              InChI=1/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-2
           c2(c1(c(N=CN1)ncn2))NCC=C(C)COC3(OC(CO)C(O)C(O)C(O)3)
CPD-4621              InChI=1/C22H35N5O11/c1-9(6-36-22-18(35)16(33)14(31)11(5-29)38-22)2-3-23-19-12-20(25-7-24-19)2
           c1(c2(c(ncn1)N(C=N2)C3(OC(CO)C(O)C(O)C(O)3)))(NCCC(C)COC4(OC(CO)C(O)C(O)C(O)4))
CPD-4622              InChI=1/C22H33N5O11/c1-9(6-36-22-18(35)16(33)14(31)11(5-29)38-22)2-3-23-19-12-20(25-7-24-19)2
           c1(c2(c(ncn1)N(C=N2)C3(OC(CO)C(O)C(O)C(O)3)))(NCC=C(C)COC4(OC(CO)C(O)C(O)C(O)4))
CPD-463               InChI=1/C12H21N3O6/c13-7(10(16)17)1-4-14-8(11(18)19)2-5-15-6-3-9(15)12(20)21/h7-9,14H,1-6,13H
           C1(N(C(C1)C(=O)O)CC[CH](C(=O)O)NCC[CH](N)C(=O)O)
CPD-464               InChI=1/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)
           CC(CCC=C(C)CCC=C(C)C)=CCCC1([CH]([CH]1COP(O)(=O)OP(O)(O)=O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)(C)
CPD-465               InChI=1/C30H52O7P2/c1-23(2)13-9-15-25(5)17-11-18-27(7)21-28-29(22-36-39(34,35)37-38(31,32)33)
           CC(C)=CCCC(C)=CCCC(C)=C[CH]1(C([CH]1COP(O)(=O)OP(O)(=O)O)(C)CCC=C(C)CCC=C(C)C)
CPD-466               InChI=1/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
           C(N)C(C)C(=O)O
CPD-4661              InChI=1/C15H24O2/c1-9(2)11-5-6-12-14(17)7-13(16)10(3)15(12,4)8-11/h6,10-11,13-14,16-17H,1,5,7-8
           CC12(C(=CCC(C1)C(=C)C)C(O)CC(O)C(C)2)
CPD-4662              InChI=1/C15H24O/c1-10(2)12-5-6-13-7-8-14(16)11(3)15(13,4)9-12/h6,11-12,14,16H,1,5,7-9H2,2-4H3
           CC12(C(=CCC(C1)C(=C)C)CCC(O)C(C)2)
CPD-4663              InChI=1/C15H24O/c1-10(2)12-6-7-13-14(16)8-5-11(3)15(13,4)9-12/h7,11-12,14,16H,1,5-6,8-9H2,2-4H
           CC12(C(=CCC(C1)C(=C)C)C(O)CCC(C)2)
CPD-4664              InChI=1/C15H24/c1-11(2)13-8-9-14-7-5-6-12(3)15(14,4)10-13/h9,12-13H,1,5-8,10H2,2-4H3
           CC12(C(=CCC(C1)C(=C)C)CCCC(C)2)
CPD-467               InChI=1/C5H11NO5S2/c6-4(5(7)8)3-12-1-2-13(9,10)11/h4H,1-3,6H2,(H,7,8)(H,9,10,11)
           C(CS(=O)(O)=O)SCC(N)C(O)=O
CPD-468               InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
           C(O)(=O)C(N)CCCC(=O)O
CPD-4681              InChI=1/C62H106N12O18/c1-27(2)42(59(86)73-23-17-19-36(73)57(84)69(13)25-38(77)71(15)48(29(5)
           CC2(C(=O)C(N)=C(C(=O)NC(C(C)O)C(=O)N[CH](C(C)C)C(O)N1([CH](CCC1)C(O)N(C)CC(O)N(C)C(C(C)C)C(O)O))C3(C=2
CPD-469               InChI=1/C7H11NO4/c1-5(10)8-6(7(11)12)3-2-4-9/h4,6H,2-3H2,1H3,(H,8,10)(H,11,12)
           C(O)(=O)C(NC(=O)C)CC[CH]=O
CPD-47                InChI=1/C8H8O4/c1-4-2-5(9)3-6(10)7(4)8(11)12/h2-3,9-10H,1H3,(H,11,12)
           C(=O)(O)c1(c(C)cc(O)cc1O)
CPD-470               InChI=1/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)
           C(N)CC(N)C(=O)O
CPD-4702              InChI=1/C28H44O3/c1-17(2)7-6-8-18(3)20-11-12-21-19-9-10-23-25(26(30)31)24(29)14-16-28(23,5)22(
           CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C(O)=O)C(O)CC4))))
CPD-4703              InChI=1/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3
           CC1(C2(C(C)CCC=1)(CC(C(=C)C)CC2))
CPD-471               InChI=1/C4H9NO2/c1-3(2-5)4(6)7/h3H,2,5H2,1H3,(H,6,7)
           C(N)C(C)C(=O)O
CPD-472               InChI=1/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)
           Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(N)C(O3)C)))
CPD-4721              InChI=1/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12-13H,1,5-6,8-9H2,2-4H3
           CC1(C2(C(C)CC(=O)C=1)(CC(C(=C)C)CC2))
CPD-473               InChI=1/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)
           [CH](=O)C(=O)CCC(=O)O
CPD-474               InChI=1/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,2
           c1(cc(cc(O)c1O)C2(C(O)C(=O)c3(c(O2)cc(O)cc3O)))
CPD-4741              InChI=1/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h7,11-12,16H,1,4-6,8-9H2,2-3
           CC(=C)C2(CC1(C(CO)=CC(=O)CC(C)1)(CC2))
CPD-4742              InChI=1/C15H22O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-13H,1,4-8H2,2-3H3
           CC(=C)C2(CC1(C(C=O)CC(=O)CC(C)1)(CC2))
CPD-4743              InChI=1/C15H24O2/c1-10(2)12-4-5-15(8-12)11(3)6-14(17)7-13(15)9-16/h9,11-14,17H,1,4-8H2,2-3H3
           CC(=C)C2(CC1(C(C=O)CC(O)CC(C)1)(CC2))
CPD-4744              InChI=1/C15H24O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h8,10-14,17-18H,1,4-7H2,2
           CC(=C)C2(CC1(C(C=O)CC(O)C(O)C(C)1)(CC2))
CPD-4745              InChI=1/C14H22O2/c1-8(2)10-4-5-11-7-13(15)14(16)9(3)12(11)6-10/h9-10,13-16H,1,4-7H2,2-3H3
           CC(=C)C1(CCC2(=C(C1)C(C)C(O)C(O)C2))
CPD-4746              InChI=1/C15H26O3/c1-9(2)11-4-5-15(7-11)10(3)14(18)13(17)6-12(15)8-16/h10-14,16-18H,1,4-8H2,2-3
           CC(=C)C2(CC1(C(CO)CC(O)C(O)C(C)1)(CC2))
CPD-4748              InChI=1/C4H9NO2/c1-3(5)2-4(6)7/h3H,2,5H2,1H3,(H,6,7)
           CC(N)CC(O)=O
CPD-475               InChI=1/C20H28O5/c1-10-6-20-7-11(10)4-5-13(20)18(2)8-12(21)9-19(3,17(24)25)15(18)14(20)16(22)2
           CC1([CH]4(C(CC(O)C1)(C)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
CPD-4750              InChI=1/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-2
           CC(=CCOP(O)(=O)OP(O)(=O)O)CC[CH]1(C(=C)CC[CH]2(C1(C)CCCC(C)(C)2))
CPD-4751              InChI=1/C20H32/c1-6-15-8-10-17-16(14(15)2)9-11-18-19(3,4)12-7-13-20(17,18)5/h6,8,14,16-18H,1,7,
           CC1([CH]2(C(CCC1)(C)[CH]3([CH](CC2)C(C)C(C=C)=CC3)))(C)
CPD-4752              InChI=1/C20H32/c1-14-12-16-6-7-17-18(2,3)9-5-10-19(17,4)20(16)11-8-15(14)13-20/h12,15-17H,5-11
           CC1([CH]4(C(CCC1)(C)C23(CC(CC2)C(C)=C[CH]3CC4)))(C)
CPD-4753              InChI=1/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13
           CC1([CH]2(C(CCC1)(C)[CH]3(C(CC2)=CC(C)(C=C)CC3)))(C)
CPD-4754              InChI=1/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,8,16-17H,1,7,9-1
           CC1([CH]2(C(CCC1)(C)[CH]3(C(=CC2)CC(C)(C=C)CC3)))(C)
CPD-476               InChI=1/C10H9NO4/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4H,5,11H2,(H,14,15)
           C(O)(=O)C(=O)CC(=O)c1(c(N)cccc1)
CPD-4761   [Cr+3]     InChI=1/Cr/q+3
CPD-4762   [Cr+6]     InChI=1/Cr/q+6
CPD-477               InChI=1/C20H28O6/c1-10-6-19-9-20(10,26)5-4-12(19)17(2)7-11(21)8-18(3,16(24)25)14(17)13(19)15(2
           CC1([CH]4(C(CC(O)C1)(C)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
CPD-478               InChI=1/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)
           C1(=NC(C(=O)O)CC1)
CPD-479               InChI=1/C5H8O3S/c1-9-3-2-4(6)5(7)8/h2-3H2,1H3,(H,7,8)
           C(SC)CC(=O)C(=O)O
CPD-48                InChI=1/C5H9NO5/c6-4(5(10)11)2(7)1-3(8)9/h2,4,7H,1,6H2,(H,8,9)(H,10,11)
           C(=O)(O)CC(O)C(N)C(O)=O
CPD-480               InChI=1/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)
           C(CN)OP(O)(=O)OCC(N)C(O)=O
CPD-4801              InChI=1/C15H12O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,14-
           c1(cc(cc(O)c1O)C3(C(O)C(=O)c2(c(O)c(O)c(O)cc2O3)))
CPD-481               InChI=1/C23H49N2O5P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(26)22(24)21-30-31(27,28)29-20
           CCCCCCCCCCCCCC=CC(O)C(N)COP(O)(=O)OCC[N+1](C)(C)C
CPD-482               InChI=1/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22
           C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(CC(O)C3)(C)[CH]4C5C(=O)O))))
CPD-4821              InChI=1/C18H36N4O11/c19-2-6-10(25)12(27)13(28)18(30-6)33-16-5(21)1-4(20)15(14(16)29)32-17-11
           C(N)C1(OC(C(O)C(O)C1O)OC2(C(O)C(C(N)CC2N)OC3(C(O)C(N)C(O)C(O3)CO)))
CPD-4822              InChI=1/C18H37N5O10/c19-2-6-11(26)12(27)9(23)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(2
           C(N)C1(OC(C(N)C(O)C1O)OC2(C(O)C(C(N)CC2N)OC3(C(O)C(N)C(O)C(O3)CO)))
CPD-4823              InChI=1/C18H36N4O11/c19-4-1-5(20)16(33-18-13(28)8(21)10(25)6(2-23)31-18)14(29)15(4)32-17-9(22
           C(O)C1(OC(C(O)C(N)C1O)OC2(C(O)C(C(N)CC2N)OC3(C(N)C(O)C(O)C(O3)CO)))
CPD-4824              InChI=1/C18H35N3O12/c19-4-1-5(20)16(33-18-13(28)12(27)10(25)7(3-23)31-18)14(29)15(4)32-17-11
           C(O)C1(OC(C(O)C(N)C1O)OC2(C(O)C(C(N)CC2N)OC3(C(O)C(O)C(O)C(O3)CO)))
CPD-483               InChI=1/C23H38N3O25P3/c1-7(28)24-12-16(33)14(31)10(6-44-52(38,39)50-22-19(36)17(34)13(30)8(4
           CC(=O)NC1(C(OC(C(O)C1O)COP(=O)(O)OC2(C(O)C(O)C(O)C(O2)CO))OP(=O)(O)OP(=O)(O)OCC3(OC(C(O)C3O)n4(c(=
CPD-484               InChI=1/C31H51N12O18P/c1-8-31(52,5-45)23(28(56-8)59-21-12(42-30(35)36)17(48)11(41-29(33)34)1
           C1(C(NC)C(C(O)C(O1)CO)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(c4(c(nc3)c(N)ncn4))))(OC5(C(OC(C)C5(O)C=O)OC6(C(N
CPD-4841              InChI=1/C7H5NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
           C(=O)(O)c1(nc(C(O)=O)ccc1)
CPD-485               InChI=1/C19H23N6O8P/c20-16-13-17(22-8-21-16)25(9-23-13)18-15(27)14(26)12(33-18)7-32-34(30,31
           c1(c2(c(ncn1)n(cn2)C3(OC(C(O)C(O)3)COP(=O)(O)NC(C(=O)O)Cc4(ccccc4))))(N)
CPD-486               InChI=1/C17H19N6O8P/c18-14-11-15(20-6-19-14)23(7-21-11)16-13(25)12(24)10(31-16)5-30-32(28,29
           C(O)(=O)c1(c(cccc1)NP(O)(=O)OCC2(OC(C(O)C(O)2)n3(c4(c(nc3)c(N)ncn4))))
CPD-4861   CC(C)C=NO InChI=1/C4H9NO/c1-4(2)3-5-6/h3-4,6H,1-2H3
CPD-4862              InChI=1/C5H11NO3/c1-3(2)4(6-9)5(7)8/h3-4,6,9H,1-2H3,(H,7,8)
           CC(C)C(NO)C(O)=O
CPD-4863              InChI=1/C5H11NO4/c1-3(2)4(5(7)8)6(9)10/h3-4,9-10H,1-2H3,(H,7,8)
           CC(C)C(C(=O)O)N(O)O
CPD-4864   CC(C)C#N InChI=1/C4H7N/c1-4(2)3-5/h4H,1-2H3
CPD-487               InChI=1/C10H15N6O6P/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6
           C(OP(=O)(O)N)C1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3)))
CPD-488               InChI=1/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)
           CC1(OC(OP(O)(O)=O)C(O)C(O)C1O)
CPD-4884              InChI=1/C20H18O4/c1-20(2)8-7-14-16(24-20)6-5-12-15-10-22-17-9-11(21)3-4-13(17)19(15)23-18(12)1
           C1([CH]3([CH](c2(c(O1)cc(O)cc2))Oc5(c3ccc4(OC(C)(C)C=Cc45))))
CPD-4885              InChI=1/C20H20O4/c1-11(2)3-5-14-17(22)8-7-13-16-10-23-18-9-12(21)4-6-15(18)20(16)24-19(13)14/h
           C1([CH]3([CH](c2(c(O1)cc(O)cc2))Oc4(c(CC=C(C)C)c(O)ccc34)))
CPD-4886              InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,10H,1,5-7H2,2-3H3
           CC1(=CCC(C(=C)C)CC1)
CPD-4887              InChI=1/C10H18O/c1-8-4-6-9(7-5-8)10(2,3)11/h4,9,11H,5-7H2,1-3H3
           CC1(=CCC(C(C)(C)O)CC1)
CPD-4888              InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
           C=CC(=C)CCC=C(C)C
CPD-4889              InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3
           CC(C=C)=CCC=C(C)C
CPD-4890              InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
           CC1(=CCC(=C(C)C)CC1)
CPD-4891              InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h8-9H,1,4-6H2,2-3H3
           CC1(C2(CC1C(=C)CC2))(C)
CPD-4892              InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
           CC1(C2(CC1C(C)=CC2))(C)
CPD-4893              InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3
           C=C2(C1(C(C(C)C)(C1)CC2))
CPD-4894              InChI=1/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3
           CC2(C1(C(C(C)C)(C1)CC=2))
CPD-4895              InChI=1/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
           c1(cc2(c(cc1)C(=O)C(=O)C=C2))
CPD-4896              InChI=1/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,12H,(H,13,14)
           C(=O)(O)C(O)=CC=C1(C(=O)C=CC=C1)
CPD-4897              InChI=1/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)
           C(=O)(O)C(=O)C=Cc1(c(O)cccc1)
CPD-4898              InChI=1/C10H10O5/c11-7-4-2-1-3-6(7)8(12)5-9(13)10(14)15/h1-4,8,11-12H,5H2,(H,14,15)
           C(=O)(O)C(=O)CC(O)c1(c(O)cccc1)
CPD-490               InChI=1/C5H11O8P/c6-2-1-12-5(4(8)3(2)7)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)
           C1(C(O)C(O)C(O)CO1)(OP(O)(=O)O)
CPD-4901              InChI=1/C10H16/c1-7-4-5-8-9(6-7)10(8,2)3/h6,8-9H,4-5H2,1-3H3
           CC1(C2(C1CCC(C)=C2))(C)
CPD-4902              InChI=1/C10H16/c1-9(2)6-4-7-8(5-6)10(7,9)3/h6-8H,4-5H2,1-3H3
           CC3(C1(C2(C1CC(C2)3))(C))(C)
CPD-4903              InChI=1/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3
           C=CC(C)=CCC=C(C)C
CPD-491               InChI=1/C15H29O10P3/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-23-27(19,20)25-28(21,22)24-26(16,17)1
           C(OP(O)(=O)OP(O)(=O)OP(O)(=O)O)C=C(C)CCC=C(C)CCC=C(C)C
CPD-492               InChI=1/C5H15N4O3P/c6-5(7)8-3-1-2-4-9-13(10,11)12/h1-4H2,(H4,6,7,8)(H3,9,10,11,12)
           C(NP(=O)(O)O)CCCNC(=N)N
CPD-4921              InChI=1/C10H16/c1-7-8-4-5-9(6-8)10(7,2)3/h8-9H,1,4-6H2,2-3H3
           C=C2(C1(CC(CC1)C(C)(C)2))
CPD-4922              InChI=1/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,8,10H,3,5,7H2,1-2H3
           C=C1(C=CC(C(C)C)CC1)
CPD-494    NP(=O)(O)OInChI=1/H4NO3P/c1-5(2,3)4/h(H4,1,2,3,4)
CPD-4941              InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3
           C=C(C)C1(C(=O)CC(C)CC1)
CPD-4942              InChI=1/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3
           CC(C)=C1(C(=O)CC(C)CC1)
CPD-4943              InChI=1/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3
           CC(C)C1(C(=O)CC(C)CC1)
CPD-4944              InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
           CC(C)C1(C(O)CC(C)CC1)
CPD-4945              InChI=1/C10H20O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-11H,4-6H2,1-3H3
           CC(C)C1(C(O)CC(C)CC1)
CPD-495               InChI=1/CH3O5P/c2-1-6-7(3,4)5/h1H,(H2,3,4,5)
           [CH](=O)OP(O)(=O)O
CPD-496               InChI=1/C5H13O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3-9H,1-2H2,(H2,10,11,12)
           C(O)C(O)C(O)C(O)COP(O)(O)=O
CPD-497               InChI=1/C9H12N2O6/c12-2-4-5(13)6(14)7(17-4)3-1-10-9(16)11-8(3)15/h1,4-7,12-14H,2H2,(H2,10,11,1
           c1(c(c(=O)[nH]c([nH]1)=O)C2(C(O)C(O)C(O2)CO))
CPD-498               InChI=1/C19H22O5/c1-9-6-19-7-10(9)3-4-13(19)12-5-11(20)8-18(2,17(23)24)14(12)15(19)16(21)22/h5
           CC1([CH]4(C(=CC(=O)C1)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
CPD-4981              InChI=1/C10H14O/c1-7-3-4-9-8(2)6-11-10(9)5-7/h6-7H,3-5H2,1-2H3
           CC1(Cc2(c(CC1)c(C)co2))
CPD-499               InChI=1/C6H13O7P/c1-6(9,4-5(7)8)2-3-13-14(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H2,10,11,12)
           CC(O)(CC(O)=O)CCOP(O)(O)=O
CPD-5      [Fe]=S     InChI=1/Fe.S
CPD-5001              InChI=1/C20H30O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(21)16(20)22/h
           C=C1(C2(CC3(C1)([CH](CC2)C4(C)([CH](C(O)C3O)C(C)(C(O)=O)CCC4))))
CPD-501               InChI=1/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)
           C1(C(O)C(O)C(O)C(O1)C(=O)O)(OP(O)(=O)O)
CPD-503               InChI=1/C30H44N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-
           [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(O)=O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(
CPD-505               InChI=1/C6H16O18P4/c7-1-3(21-25(9,10)11)5(23-27(15,16)17)2(8)6(24-28(18,19)20)4(1)22-26(12,13)
           C1(C(OP(O)([O-1])=O)C(O)C(OP(O)([O-1])=O)C(C(O)1)OP(O)([O-1])=O)(OP(O)([O-1])=O)
CPD-506               InChI=1/C6H16O18P4/c7-1-3(21-25(9,10)11)2(8)5(23-27(15,16)17)6(24-28(18,19)20)4(1)22-26(12,13)
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(O)C(C(O)1)OP(O)([O-1])=O)(OP(O)([O-1])=O)
CPD-5061              InChI=1/C7H8O6/c8-4(6(10)11)2-1-3-5(9)7(12)13/h1-3H2,(H,10,11)(H,12,13)
           C(=O)(O)C(=O)CCCC(=O)C(O)=O
CPD-5062              InChI=1/C7H7NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h2-3,8H,1H2,(H,9,10)(H,11,12)
           C(=O)(O)C1(NC(C(O)=O)=CCC=1)
CPD-507               InChI=1/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21
           C1(C(O)C(O)C(O)C(O1)COP(O)(=O)O)OC2(C(CO)OC(O)C(O)C(O)2)
CPD-508               InChI=1/C30H42N7O17P3S/c1-30(2,25(41)28(42)33-11-10-20(38)32-12-13-58-21(39)9-8-18-6-4-3-5-7-
           C(SC(=O)C=Cc1(ccccc1))CNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O)(=O
CPD-51                InChI=1/C29H50O2/c1-7-29(26(3,4)31-29)17-12-19(2)23-10-11-24-22-9-8-20-18-21(30)13-15-27(20,5)
           CC1(C(O1)(CC)CCC(C)C2(C3(C)(C(CC2)C4(C(CC3)C5(C(CC4)CC(O)CC5)(C)))))(C)
CPD-510               InChI=1/C6H11O10P/c7-1-2(8)4(5(10)11)15-6(3(1)9)16-17(12,13)14/h1-4,6-9H,(H,10,11)(H2,12,13,14)
           C1(OC(C(=O)O)C(O)C(O)C(O)1)(OP(O)(=O)O)
CPD-5107              InChI=1/C83H138S/c1-19-84-67-35-66-83(18)65-34-64-82(17)63-33-62-81(16)61-32-60-80(15)59-31-5
           CCSCCCC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)
CPD-511               InChI=1/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H
           CC(C)(CO)C(O)C(=O)NCCC(=O)NCCS
CPD-512               InChI=1/C21H40N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)15(43-44(36,37)38)10(31)6(3-29)40-17)18(
           C1(C(NC)C(OP(O)(O)=O)C(O)C(O1)CO)OC2(C(OC(C)C2(O)C=O)OC3(C(NC(=N)N)C(O)C(NC(=N)N)C(O)C(O)3))
CPD-513               InChI=1/C30H44N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)12-18(38)17-6-4-3-5
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1(ccccc1))COP(O)(=O)OP(O)(=O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O)(=O
CPD-514               InChI=1/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)12-18(38)17-6-4-3-5
           C(SC(=O)CC(=O)c1(ccccc1))CNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O)
CPD-515               InChI=1/C26H42N7O20P3S/c1-25(2,19(38)22(39)29-5-4-14(34)28-6-7-57-24(40)26(3,41)8-15(35)36)10
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(O
CPD-516               InChI=1/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
           C(=O)(O)CC(O)(C)CC(O)=O
CPD-5161              InChI=1/C108H180N2O27P2/c1-71(2)35-20-36-72(3)37-21-38-73(4)39-22-40-74(5)41-23-42-75(6)43-2
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-5162              InChI=1/C114H190N2O32P2/c1-72(2)35-20-36-73(3)37-21-38-74(4)39-22-40-75(5)41-23-42-76(6)43-2
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-5163              InChI=1/C120H200N2O37P2/c1-73(2)35-20-36-74(3)37-21-38-75(4)39-22-40-76(5)41-23-42-77(6)43-2
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-5164              InChI=1/C126H210N2O42P2/c1-74(2)35-20-36-75(3)37-21-38-76(4)39-22-40-77(5)41-23-42-78(6)43-2
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-5165              InChI=1/C132H220N2O47P2/c1-75(2)35-20-36-76(3)37-21-38-77(4)39-22-40-78(5)41-23-42-79(6)43-2
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-5166              InChI=1/C138H230N2O52P2/c1-76(2)35-20-36-77(3)37-21-38-78(4)39-22-40-79(5)41-23-42-80(6)43-2
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-5167              InChI=1/C144H240N2O57P2/c1-77(2)35-20-36-78(3)37-21-38-79(4)39-22-40-80(5)41-23-42-81(6)43-2
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-5168              InChI=1/C150H252N2O62P2/c1-80(2)35-20-36-81(3)37-21-38-82(4)39-22-40-83(5)41-23-42-84(6)43-2
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-5169              InChI=1/C156H262N2O67P2/c1-80(2)35-20-36-81(3)37-21-38-82(4)39-22-40-83(5)41-23-42-84(6)43-2
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-517               InChI=1/C21H30O8S/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)
           CC13(C(=CC(=O)CC1)CCC2(C4(C(CC(O)C23)(C)C(CC4)(O)C(=O)COS(O)(=O)=O)))
CPD-5170              InChI=1/C162H272N2O72P2/c1-81(2)35-20-36-82(3)37-21-38-83(4)39-22-40-84(5)41-23-42-85(6)43-2
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
CPD-518               InChI=1/C24H47NO10S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(26)18(25)16-33-24-23(29)22(28)21(
           C1(OC(COS(O)(=O)=O)C(O)C(O)C(O)1)OCC(N)C(O)C=CCCCCCCCCCCCCC
CPD-52                InChI=1/C7H12O5/c1-2-3-4(6(9)10)5(8)7(11)12/h4-5,8H,2-3H2,1H3,(H,9,10)(H,11,12)
           C(O)(=O)C(O)C(C(=O)O)CCC
CPD-520               InChI=1/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,2
           c1(c(ccc(O)c1O)C2(=C(O)C(=O)c3(c(O)cc(O)cc(O2)3)))
CPD-5201              InChI=1/C32H46O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(3
           CC(C)(OC(=O)C)C=CC(=O)C(O)(C)C1(C(O)CC2(C1(C)CC(=O)C3([CH]4(C(=CCC23)C(C)(C)C(=O)C(O)C4))(CO))(C))
CPD-5202              InChI=1/C32H46O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20
           CC(C)(OC(=O)C)C=CC(=O)C(O)(C)C1(C(O)CC3(C1(C)CC(=O)C2([CH]4(C(=CCC23)C(C)(C)C(=O)C(O)C4))(C))(C))
CPD-5203              InChI=1/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20
           CC(C)(OC(=O)C)C=CC(=O)C(O)(C)C1(C(O)CC3(C1(C)CC(=O)C2(C4(C(=CCC23)C(C)(C)C(=O)C(O)=C4))(C))(C))
CPD-5204              InChI=1/C32H48O9/c1-17(34)41-27(2,3)12-11-23(37)31(8,40)25-21(36)14-29(6)22-10-9-18-19(13-20(3
           CC(C)(OC(=O)C)CCC(=O)C(O)(C)C1(C(O)CC2(C1(C)CC(=O)C3([CH]4(C(=CCC23)C(C)(C)C(=O)C(O)C4))(CO))(C))
CPD-5205              InChI=1/C32H48O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20
           CC(C)(OC(=O)C)CCC(=O)C(O)(C)C1(C(O)CC3(C1(C)CC(=O)C2([CH]4(C(=CCC23)C(C)(C)C(=O)C(O)C4))(C))(C))
CPD-521               InChI=1/C5H6O5/c1-10-4(7)2-3(6)5(8)9/h2H2,1H3,(H,8,9)
           C(=O)(OC)CC(=O)C(O)=O
CPD-522               InChI=1/C8H14O7/c1-3(9)14-2-4-5(10)6(11)7(12)8(13)15-4/h4-8,10-13H,2H2,1H3
           C1(OC(COC(=O)C)C(O)C(O)C(O)1)(O)
CPD-5221              InChI=1/C56H86N13O20/c1-8-28(4)16-11-9-10-12-19-37(70)61-34(24-42(77)78)49(81)66-44(29(5)56(
           C2(=O)(C(NC(=O)C1(CCCCN12))C(C)NC(=O)C3(N([CH]CC3)C(=O)C(C(C)C)NC(=O)C(C(N)C)NC(=O)CNC(=O)C(CC(O)=O
CPD-523               InChI=1/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)
           C(=O)(CCCCCCCCCCCCCCC)OCC=C(C)C=CC=C(C)C=CC1(=C(C)CCCC(C)(C)1)
CPD-524               InChI=1/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
           C(O)(=O)c1(c(OC(=O)C)cccc1)
CPD-5242              InChI=1/C30H46N4O16/c1-11(2)5-4-6-16(38)32-19-23(43)20(40)14(47-29(19)50-28-18(31-12(3)36)22
           CC(C)CC=CC(=O)NC2([CH](OC1(C(NC(=O)C)C(O)C(O)C(O1)CO))OC(C(O)C(O)2)CC(O)[CH]3(OC(C(O)C(O)3)n4(c(=O)nc
CPD-526               InChI=1/C6H8O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h1-5,8-10H
           C1(OC([CH]=O)C(O)C(O)C(O)1)(=O)
CPD-527    S=[Pb]     InChI=1/Pb.S
CPD-529               InChI=1/C21H40N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)12(33)10(31)6(3-29)40-17)18(39-5)41-14-7
           CC1(OC(C(C(O)1C=O)OC2(C(NC)C(O)C(O)C(O2)CO))OC3(C(NC(=[N+1])N)C(O)C(NC(=[N+1])N)C(C3O)OP(O)(O)=O))
CPD-53                InChI=1/C17H30O7/c1-2-3-4-5-6-7-8-9-10-13(15(20)21)17(24,16(22)23)12-11-14(18)19/h13,24H,2-12
           CCCCCCCCCCC(C(=O)O)C(C(=O)O)(O)CCC(=O)O
CPD-530               InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
           O=S([O-1])([O-1])=O
CPD-5302              InChI=1/C30H44O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35
           CC(C)(O)C=CC(=O)C(O)(C)[CH]1(C(O)CC3(C1(C)CC(=O)C2([CH]4(C(=CC[CH]23)C(C)(C)C(O)C(O)=C4))(C))(C))
CPD-5303              InChI=1/C30H42O7/c1-25(2,36)12-11-21(33)30(8,37)23-19(32)14-27(5)20-10-9-16-17(13-18(31)24(35
           CC(C)(O)C=CC(=O)C(O)(C)[CH]1(C(O)CC3(C1(C)CC(=O)C2([CH]4(C(=CC[CH]23)C(C)(C)C(=O)C(O)=C4))(C))(C))
CPD-531               InChI=1/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)
           C(O)C(O)C(O)C(O)C(=O)COP(O)(O)=O
CPD-5321              InChI=1/C36H50O10/c1-19(37)44-24-16-23-22(32(6,7)30(24)46-21(3)39)12-13-26-33(8)17-25(45-20(2
           CC(C)(O)C=CC(=O)C(O)(C)[CH]1(C(OC(C)=O)CC2([CH]3(C(C(=O)CC1(C)2)(C)[CH]4(C(=CC3)C(C)(C)C(OC(C)=O)C(=C4)O
CPD-533               InChI=1/C28H44N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-
           C(CC(=O)NCCSC(=O)C1(CCCCC=1))NC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC2(OC(C(O)C2OP(=O)(O)O)n3(c4(c(n
CPD-534               InChI=1/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C1OP(O)([O-1])=O)(O)
CPD-535               InChI=1/C6H14O12P2/c7-2-6(18-20(13,14)15)5(9)4(8)3(17-6)1-16-19(10,11)12/h3-5,7-9H,1-2H2,(H2,1
           C(O)C1(OC(C(O)C(O)1)COP(=O)(O)O)(OP(O)(=O)O)
CPD-536               InChI=1/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
           C(O)C(CO)OP(O)(=O)O
CPD-537               InChI=1/C28H46N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)
           C(SC(=O)C1(C(O)CCCC1))CNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C2OP(=O)(O)O)n3(c4(c
CPD-538               InChI=1/C5H13N2O6P/c6-1-2-12-14(10,11)13-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)(H,10,11)
           C(C(N)C(O)=O)OP(O)(=O)OCCN
CPD-5381              I
           C(#N)S[K+1] nChI=1/CHNS.K/c2-1-3;/h3H;/q;+2/p-1
CPD-54                InChI=1/C3H5N3/c4-3-1-5-2-6-3/h1-2H,4H2,(H,5,6)
           c1(c(N)[nH]cn1)
CPD-540               InChI=1/C3H7O5P/c4-1-3-2-7-9(5,6)8-3/h3-4H,1-2H2,(H,5,6)
           C1(C(CO)OP(O)(=O)O1)
CPD-5401              InChI=1/C6H5O3S.ClH.Hg/c7-10(8,9)6-4-2-1-3-5-6;;/h2-5H,(H,7,8,9);1H;/q;;+1/p-1
           c1(ccc([Hg]Cl)cc1)(S(O)(=O)=O)
CPD-541               InChI=1/C9H19O11P/c10-1-3(11)2-19-21(17,18)20-9-7(15)5(13)4(12)6(14)8(9)16/h3-16H,1-2H2,(H,17
           C(O)C(O)COP(=O)(O)OC1(C(O)C(O)C(O)C(O)C1O)
CPD-542               InChI=1/C3H6O6S/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H,6,7,8)
           C(O)(=O)C(C)OS(O)(=O)=O
CPD-5421              InChI=1/C16H14O6/c1-21-10-4-2-8(3-5-10)13-15(19)14-11(18)6-9(17)7-12(14)22-16(13)20/h2-7,13,16
           C2([CH](c1(ccc(OC)cc1))C(=O)c3(c(O2)cc(O)cc(O)3))(O)
CPD-543               InChI=1/C5H13NO4S/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3
           C(C[N+1](C)(C)C)OS(=O)([O-1])=O
CPD-544               InChI=1/C6H12O9S/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12,13)
           C1(OC(COS(O)(=O)=O)C(O)C(O)C(O)1)(O)
CPD-5441              InChI=1/C4H12NO4P/c1-5(2)3-4-9-10(6,7)8/h3-4H2,1-2H3,(H2,6,7,8)
           C(CN(C)C)OP(=O)(O)O
CPD-5442              InChI=1/C15H18N6O/c1-21-10-18-12-13(17-9-11-5-3-2-4-6-11)19-15(16-7-8-22)20-14(12)21/h2-6,10,2
           C(c1(ccccc1))Nc3(nc(NCCO)nc2(N(C)C=Nc23))
CPD-545               InChI=1/CH4O4S/c1-5-6(2,3)4/h1H3,(H,2,3,4)
           COS(O)(=O)=O
CPD-546               InChI=1/C4H6O4/c1-2(3(5)6)4(7)8/h2H,1H3,(H,5,6)(H,7,8)
           C(O)(=O)C(C)C(O)=O
CPD-5461              InChI=1/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
           c2(n(C)c(=O)n(CC(C)C)c1(ncnc12))(=O)
CPD-547               InChI=1/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
           C(O)(=O)CC(O)(C)CC(=O)O
CPD-548               InChI=1/C11H17N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h5-7H,1-4,12H2
           C(CCC(N)C(=O)O)(=O)NC(CS[CH]=O)C(=O)NCC(=O)O
CPD-5481              InChI=1/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
           c1(cc(ccn1)NC(=O)Nc2(ccccc2))(Cl)
CPD-5482              InChI=1/C13H13N3O2/c1-18-12-9-11(7-8-14-12)16-13(17)15-10-5-3-2-4-6-10/h2-9H,1H3,(H2,14,15,16
           c1(cc(ccn1)NC(=O)Nc2(ccccc2))(OC)
CPD-5483              InChI=1/C12H9ClFN3O/c13-11-7-10(4-5-15-11)17-12(18)16-9-3-1-2-8(14)6-9/h1-7H,(H2,15,16,17,18)
           c1(cc(ccn1)NC(=O)Nc2(cccc(F)c2))(Cl)
CPD-5484              InChI=1/C12H16N4/c1-8(2)4-5-9(3)10-11-12(15-6-13-10)16-7-14-11/h4,6-7,9H,5H2,1-3H3,(H,13,14,15
           c12(ncnc(c(N=CN1)2)C(C)CC=C(C)C)
CPD-549               InChI=1/C14H21N3O9S/c15-7(14(25)26)1-2-9(18)17-8(13(24)16-5-11(21)22)6-27-12(23)4-3-10(19)20/
           C(CCC(N)C(=O)O)(=O)NC(C(=O)NCC(=O)O)CSC(=O)CCC(=O)O
CPD-55                InChI=1/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3
           C(=O)CCCCCCCCCCCCCCCCC
CPD-550               InChI=1/C6H13NO8S/c8-1-2-4(9)5(10)3(6(11)15-2)7-16(12,13)14/h2-11H,1H2,(H,12,13,14)
           C1(C(NS(=O)(O)=O)C(O)C(O)C(O1)CO)(O)
CPD-551               InChI=1/C2H5O4P/c3-1-2-7(4,5)6/h1H,2H2,(H2,4,5,6)
           C(P(O)(=O)O)[CH]=O
CPD-552               InChI=1/H2O6S3/c1-8(2,3)7-9(4,5)6/h(H,1,2,3)(H,4,5,6)/p-2
           S([O-1])(=O)(=O)SS([O-1])(=O)=O
CPD-5521              InChI=1/C27H30O16/c1-8-17(32)20(35)22(37)26(39-8)40-10-5-13(31)16-14(6-10)41-24(9-2-3-11(29)1
           CC1(OC(C(O)C(O)C1O)Oc2(cc3(c(c(c2)O)c(=O)c(c(o3)c4(cc(O)c(O)cc4))OC5(C(O)C(O)C(O)C(O5)CO))))
CPD-5522              InChI=1/C33H40O21/c1-9-19(38)23(42)27(46)32(49-9)50-11-5-14(37)18-15(6-11)51-29(10-2-3-12(35)
           CC1(OC(C(O)C(O)C1O)Oc2(cc3(c(c(c2)O)c(=O)c(c(o3)c4(cc(O)c(O)cc4))OC5(OC(C(O)C(O)C5O)COC6(C(O)C(O)C(O)C(
CPD-553               InChI=1/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H
           C1(OC(CO)C(O)C(O)C(O)1)O[CH](C#N)c2(ccccc2)
CPD-554               InChI=1/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)
           CC(C(O)C(=O)NCCC(=O)NCCSC(=O)C1(C(=O)CCCC1))(C)COP(=O)(O)OP(O)(=O)OCC2(OC(C(O)C2OP(=O)(O)O)n3(c4(c
CPD-5541              InChI=1/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
           C(S(F)(=O)=O)c1(ccccc1)
CPD-5542              InChI=1/C7H7N/c1-2-7-3-5-8-6-4-7/h2-6H,1H2
           c1(cc(C=C)ccn1)
CPD-556               InChI=1/C33H56O6/c1-19(2)7-6-8-20(3)24-11-12-25-23-10-9-21-17-22(13-15-32(21,4)26(23)14-16-33
           CC14(C(CC(CC1)OC2(C(O)C(O)C(O)C(O2)CO))=CC[CH]3([CH]5(C(CC[CH]34)(C)[CH](CC5)[CH](C)CCCC(C)C)))
CPD-5561              InChI=1/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-2
           CCC(C)C(=O)OC2([CH]1(C(C(C)C=CC1=CC(C2)C)CCC3(OC(=O)CC(C3)O)))
CPD-558               InChI=1/C28H46N7O19P3S/c1-28(2,23(41)26(42)31-9-8-17(36)30-10-11-58-19(39)7-5-3-4-6-18(37)38)
           C(O)(=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC1(OC(C(O)C1OP(O)(=O)O)n2(c3(c(
CPD-5581              InChI=1/C7H5NO3S/c9-7-5-3-1-2-4-6(5)12(10,11)8-7/h1-4H,(H,8,9)
           c1(=O)(c2(c(s(=O)(n1)=O)cccc2))
CPD-5582              InChI=1/C13H21Cl3O7/c14-2-6-10(19)12(21)13(4-15,23-6)1-5-9(18)11(20)8(16)7(3-17)22-5/h5-12,17-
           C(O)C1(OC(C(O)C(O)C(Cl)1)CC2(C(O)C(O)C(O2)CCl)(CCl))
CPD-5583              InChI=1/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,1
           C(=O)(O)CC(N)C(=O)NC(C(=O)OC)Cc1(ccccc1)
CPD-56                InChI=1/C10H10O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1,3,7,11-13H,2,4H2
           c1(c(O)c2(c(cc1O)CC(O)CC2=O))
CPD-560               InChI=1/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3
           C1(OC(CSC)C(O)C(O)1)(O)
CPD-5601   C(CO)[NH]CInChI=1/C3H9NO/c1-4-2-3-5/h4-5H,2-3H2,1H3
CPD-5602   C(CO)N(C)CInChI=1/C4H11NO/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
CPD-562               InChI=1/C4H4O5/c5-3(6)1-2(9-1)4(7)8/h1-2H,(H,5,6)(H,7,8)
           C(O)(=O)C1(C(O1)C(=O)O)
CPD-5621              InChI=1/C6H14NO/c1-6(8)5-7(2,3)4/h5H2,1-4H3/q+1
           CC(=O)C[N+1](C)(C)C
CPD-564               InChI=1/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13
           C(CC(N)C(O)=O)SCC1(C(O)C(O)C(O1)O)
CPD-565               InChI=1/C7H9NO5/c1-4(9)8-3-5(7(12)13)2-6(10)11/h3H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
           C(NC(=O)C)=C(C(=O)O)CC(=O)O
CPD-566               InChI=1/C12H18N4O/c13-12(14)16-9-5-4-8-15-11(17)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,15,17)(H
           C(c1(ccccc1))(=O)NCCCCNC(=N)N
CPD-5661              InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-2
           CC1(C(=C(C)CC(O)C1)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)(C)CCC=C(C)2))(C)
CPD-5662              InChI=1/C10H18N2O3S/c13-9(14)5-3-1-2-4-7-8(6-16)12-10(15)11-7/h7-8,16H,1-6H2,(H,13,14)(H2,11,1
           C(=O)(O)CCCCCC1(C(CS)NC(=O)N1)
CPD-567               InChI=1/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)
           C(=O)(O)C(N)CCCCNC(=O)C
CPD-568               InChI=1/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)
           CC(=O)NCCCNCCCCN
CPD-5682              InChI=1/C4H6O4/c5-2-3(6)1-4(7)8/h2-3,6H,1H2,(H,7,8)
           C(=O)C(O)CC(O)=O
CPD-5683              InChI=1/C9H15NO3S/c11-7-6-14-8(10-7)4-2-1-3-5-9(12)13/h8H,1-6H2,(H,10,11)(H,12,13)
           C1(=O)(NC(SC1)CCCCCC(=O)O)
CPD-569               InChI=1/C6H14N2O/c1-6(9)8-5-3-2-4-7/h2-5,7H2,1H3,(H,8,9)
           C(C)(=O)NCCCCN
CPD-57                InChI=1/C18H36O3/c1-2-3-4-5-8-11-14-17(19)15-12-9-6-7-10-13-16-18(20)21/h17,19H,2-16H2,1H3,(H
           CCCCCCCCC(O)CCCCCCCCC(=O)O
CPD-570               InChI=1/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
           C(NC(=O)C)CCC(=O)O
CPD-5702              InChI=1/C10H20O4/c1-13-9-4-3-7(8(12)6-11)5-10(9)14-2/h7-12H,3-6H2,1-2H3
           [CH2]([OH])[CH]([OH])c1([cH]c(O[CH3])c([cH][cH]1)O[CH3])
CPD-5721              InChI=1/C5H5N5S/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1-2H,(H3,6,7,8,9,10,11)
           C1(S)(C2(C(N=C(N=1)N)=NC=N2))
CPD-5722              InChI=1/C5H5N5S/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1-2H,(H3,6,7,8,9,10,11)
           C1(N)(C2(C(N=C(N=1)S)=NC=N2))
CPD-5723              InChI=1/C6H7N5S/c1-12-6-10-4(7)3-5(11-6)9-2-8-3/h2-3H,1H3,(H2,7,8,9,10,11)
           C1(N)(=NC(SC)=NC2(C1N=CN=2))
CPD-5724              InChI=1/C6H7N5S/c1-12-5-3-4(9-2-8-3)10-6(7)11-5/h2-3H,1H3,(H2,7,8,9,10)
           C12(N=C(N)N=C(SC)C(N=CN=1)2)
CPD-5725              InChI=1/C24H30N8O9/c25-24-31-19-18(21(37)32-24)28-13(10-27-19)9-26-12-3-1-11(2-4-12)20(36)30
           C(=O)(O)C(CCC(O)=O)NC(=O)CCC(C(=O)O)NC(=O)c1(ccc(cc1)NC[CH]2(Nc3(c(NC2)nc(N)nc3=O)))
CPD-573               InChI=1/C7H16N2O2/c1-9(2,3)5-6(10)4-7(8)11/h6,10H,4-5H2,1-3H3,(H-,8,11)/p+1
           C([N+1](C)(C)C)C(O)CC(=O)N
CPD-574               InChI=1/C10H17N3O2S/c11-8(14)4-2-1-3-7-9-6(5-16-7)12-10(15)13-9/h6-7,9H,1-5H2,(H2,11,14)(H2,12
           C2(SC([CH]1(NC(=O)N[CH]12))CCCCC(=O)N)
CPD-5741              InChI=1/C25H26O6/c1-13(2)24(3)11-16-18(31-24)8-7-15-21(16)30-23-25(4,22(15)26)17-10-20(28-6)19
           C2(c1(c(cc(OC)c(c1)OC)C3(C(O2)Oc5(c(C(=O)3)ccc4(OC(C(=C)C)(C)Cc45)))(C)))
CPD-5742              InChI=1/C11H18N2O3/c1-4-11(6-5-7(2)3)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15
           C1(C(CC)(CCC(C)C)C(=O)NC(=O)N1)(=O)
CPD-5743              InChI=1/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-4,13H
           c1(sc(cc1)C(=O)[CH]=C(O)C(F)(F)F)
CPD-5744              InChI=1/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)3
           C(c1(c(O)c(N[CH]=O)ccc1))(=O)NC2(C(C)OC(=O)C(CCCCCC)C(C(C)OC(=O)2)OC(=O)CC(C)C)
CPD-575               InChI=1/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9)
           C(=O)(O)C1(CCCCC1)
CPD-5761              InChI=1/C12H22O2/c1-8(2)11-6-5-9(3)7-12(11)14-10(4)13/h8-9,11-12H,5-7H2,1-4H3
           CC(=O)OC1(C(C(C)C)CCC(C1)C)
CPD-577               InChI=1/C28H46N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-
           C(=O)(C1(CCCCC1))SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=O)n3(c4(c(nc
CPD-578               InChI=1/C2H4N2O3/c3-1(5)4-2(6)7/h(H,6,7)(H3,3,4,5)
           C(N)(=O)NC(=O)O
CPD-5781              InChI=1/C32H38O20/c1-9-19(38)23(42)26(45)30(48-9)47-8-17-21(40)24(43)29(52-31-25(44)20(39)15(
           C2(C(OC1(C(O)C(O)C(O)CO1))C(O)C(O)C(O2)COC3(C(O)C(O)C(O)C(C)O3))Oc5(c(c4(cc(O)c(O)cc4))oc6(c(c(=O)5)c(O)
CPD-579               InChI=1/C6H9NO4/c1-7-5(9)3-2-4(8)6(10)11/h2-3H2,1H3,(H,7,9)(H,10,11)
           C(O)(=O)C(=O)CCC(=O)NC
CPD-58                InChI=1/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2
           C(N)C(O)c1(ccc(O)cc1)
CPD-580               InChI=1/C5H9NO3/c1-4(7)6-3-2-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
           C(O)(=O)CCNC(=O)C
CPD-5804              InChI=1/C13H17NO7/c14-7-3-1-6(2-4-7)12(19)21-13-11(18)10(17)9(16)8(5-15)20-13/h1-4,8-11,13,15-
           C(=O)(c1(ccc(N)cc1))OC2(OC(CO)C(O)C(O)C2O)
CPD-581    CN(C)[CH]=OInChI=1/C3H7NO/c1-4(2)3-5/h3H,1-2H3
CPD-582               InChI=1/C20H24N10O13P2S2/c21-19-26-14-8(16(34)28-19)25-5(1-23-14)12(46)13(47)6(31)2-40-44(36
           c1(c(nc2(c(n1)N=C(N)[NH]C2=O))C(S)=C(S)C(O)COP(=O)(O)OP(=O)(O)OCC3(OC(C(O)C3O)n4(c5(c(nc4)c(=O)[nH]c(n
CPD-5821              InChI=1/C5H6N4O5/c6-3(12)7-1-5(14,2(10)11)9-4(13)8-1/h14H,(H,10,11)(H4,6,7,8,9,12,13)/p-1
           C1(C(O)(C([O-1])=O)[NH]C(=O)N=1)(NC(N)=O)
CPD-583               InChI=1/C5H7NO5/c7-2-6-3(5(10)11)1-4(8)9/h2-3H,1H2,(H,6,7)(H,8,9)(H,10,11)
           C(=O)(O)C(CC(O)=O)N[CH]=O
CPD-584               InChI=1/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)
           c1(c(CC(N)C(=O)N)c2(c([nH]1)cccc2))
CPD-5841              InChI=1/C20H37N3O14/c1-5(27)23-11-15(31)17(7(3-25)33-18(11)32)37-20-10(22)14(30)16(8(4-26)35
           C(O)C2(C(OC1(C(N)C(O)C(O)C(O1)CO))C(O)C(N)C(O2)OC3(C(CO)OC(O)C(C3O)NC(C)=O))
CPD-5842              InChI=1/C14H26N2O10/c1-4(19)16-8-11(22)12(6(3-18)24-13(8)23)26-14-7(15)10(21)9(20)5(2-17)25-1
           C(O)C1(C(C(O)C(C(O)O1)NC(=O)C)OC2(OC(CO)C(O)C(O)C(N)2))
CPD-5847              InChI=1/C30H52O2/c1-20(2)9-8-10-21(3)22-13-17-30(7)24-11-12-25-27(4,23(24)14-18-29(22,30)6)16-
           CC(C)CCCC(C)[CH]1(C2(C)(C(C)(CC1)C3([CH](CC2)C4(C)([CH](CC=3)C(C)(CO)C(O)CC4))))
CPD-585               InChI=1/C7H14N2O3/c1-2-9-6(10)4-3-5(8)7(11)12/h5H,2-4,8H2,1H3,(H,9,10)(H,11,12)
           C(=O)(O)C(N)CCC(=O)NCC
CPD-586    CCCCC(=O)N InChI=1/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
CPD-5861              InChI=1/C6H12O5/c7-2-4-6(10)3(8)1-5(9)11-4/h3-10H,1-2H2
           C1(OC(CO)C(O)C(O)C1)(O)
CPD-587               InChI=1/C5H6N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h2H,1H2,(H,8,9)(H2,6,7,10,11)
           C1(C(CC(=O)O)NC(=O)N1)(=O)
CPD-588               InChI=1/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)
           C1(C(N)CCCCN1)(=O)
CPD-5881              InChI=1/C9H15N5O4/c1-3(15)5(16)4-2-11-6-9(18,14-4)7(17)13-8(10)12-6/h3-5,14-16,18H,2H2,1H3,(H
           C[CH](O)[CH](O)C1(NC2(O)(C(NC1)=NC(N)=NC2=O))
CPD-59                InChI=1/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h7,9,11-12,14-15,17
           C(O)(=O)CCCCCCCC=CC=CC(OO)C=CCCC
CPD-590               InChI=1/C15H14O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,13-21H
           c3(c2(OC(c1(cc(O)c(O)cc1))C(O)C(O)c2c(O)cc(O)3))
CPD-591               InChI=1/C15H11O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6,16-20H
           C3(=C(O)C(c1(ccc(O)c(c1)O))=Oc2(cc(O)cc(c23)O))
CPD-592               InChI=1/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8)
           C(NC(N)=N)CCC(=O)O
CPD-5921              InChI=1/C9H9O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,8,10H,(H,11,12)
           C(=O)(O)C(O)[CH]c1(ccccc1)
CPD-5922              InChI=1/C30H43N7O18P3S/c1-30(2,24(41)27(42)33-9-8-20(39)32-10-11-59-29(43)18(38)12-17-6-4-3-5
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(O)[CH]c1(ccccc1))COP(=O)(O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O
CPD-5923              InChI=1/C10H12FN5O3/c11-1-4-6(17)7(18)10(19-4)16-3-15-5-8(12)13-2-14-9(5)16/h2-4,6-7,10,17-18H
           C1(OC(CF)C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3))
CPD-593    C(N)(=N)NCInChI=1/C2H7N3/c1-5-2(3)4/h1H3,(H4,3,4,5)
CPD-594               InChI=1/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7)
           C(NC(=N)N)CC(=O)O
CPD-5941              InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)
           CCC=CCC1(C(CC(=O)O)CCC1=O)
CPD-5943              InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)
           C(O)(=O)CC1(C(C(=O)CC1)CC=CCC)
CPD-5944              InChI=1/C10H9N/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-7H,1H3
           Cc1(ccc2(c(n1)cccc2))
CPD-595               InChI=1/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
           C(NC(=N)N)CCCNC(=N)N
CPD-596               InChI=1/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)
           C(=O)(O)C(N)CCCNC(=N)N(C)C
CPD-5961              InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14
           CC(=O)[CH]1(C2([CH](CC1)[CH]3([CH](CC2)C4([CH](CC3)C[CH](O)CC4)(C)))(C))
CPD-5962              InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14
           CC12([CH]3([CH](CC[CH](CC(=O)CC1)2)[CH]4(C(C)(CC3)[CH](CC4)C(C)=O)))
CPD-597               InChI=1/C5H13N3O/c6-3-1-2-4-8-5(7)9/h1-4,6H2,(H3,7,8,9)
           C(N)CCCNC(=O)N
CPD-598               InChI=1/C3H7N3O3/c4-1(2(7)8)6-3(5)9/h1H,4H2,(H,7,8)(H3,5,6,9)
           C(N)(C(=O)O)NC(=O)N
CPD-599               InChI=1/C5H9N3O4/c6-5(7)8-2(4(11)12)1-3(9)10/h2H,1H2,(H,9,10)(H,11,12)(H4,6,7,8)
           C(=O)(O)C(CC(O)=O)NC(=N)N
CPD-6                 InChI=1/2Fe.2H2S/h;;2*1H2/q;-1;;+2/p-1
           [S+2]1([Fe-1][S-1][Fe]1)
CPD-60                InChI=1/C3H6N2O/c6-3-1-4-2-5-3/h4H,1-2H2,(H,5,6)
           c1(c(=O)[nH]c=n1)
CPD-600               InChI=1/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
           C(=O)(O)C(N[CH]=O)CCC(=O)O
CPD-6001              InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2
           C1(C(O)C(O)C(O1)CO)(O)
CPD-601               InChI=1/C14H19N5O6S/c15-6(14(23)24)1-2-26-3-7-9(20)10(21)13(25-7)19-5-18-8-11(19)16-4-17-12(8
           C(CC(N)C(=O)O)SCC1(OC(C(O)C(O)1)n2(c3(c(nc2)c(=O)ncn3)))
CPD-602               InChI=1/C9H15N4O9P/c10-3-6(12-9(17)13-7(3)16)11-8-5(15)4(14)2(22-8)1-21-23(18,19)20/h2,4-5,8,1
           C(OP(O)(O)=O)C1(OC(C(O)C1O)Nc2(c(N)c(=O)[nH]c([nH]2)=O))
CPD-6021              InChI=1/C12H24O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4-21H,1-3H
           C(O)C(O)C(O)C(O)C(O)COC1(OC(CO)C(O)C(O)C(O)1)
CPD-603               InChI=1/C4H6N2O2/c5-2-1-3(6)4(7)8/h3H,1,6H2,(H,7,8)
           C(=O)(O)C(N)CC#N
CPD-6041              InChI=1/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25
           C(O)(=O)CCC(C(O)=O)NC(=O)c1(ccc(cc1)N(C)Cc2(nc3(c(nc2)N=C(N)N=C3N)))
CPD-605               InChI=1/C12H10N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4H,1-2H3,(H2,14,15
           c12(c(C(=O)NC(=O)N1)nc3(c(n2)cc(C)c(C)c3))
CPD-606               InChI=1/C12H22N3O13P2/c13-8-1-2-15(12(20)14-8)11-10(19)9(18)7(27-11)5-26-30(23,24)28-29(21,22
           C1(OC(C(O)C(O)1)COP(=O)(O)OP(=O)(O)OCC(O)CO)(n2(c(=O)nc(N)cc2))
CPD-6061              InChI=1/C9H12FN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H
           c1(n(c(=O)[nH]c(=O)c(F)1)C2(OC(C(O)C2)COP(=O)(O)O))
CPD-607               InChI=1/C10H17N5O16P4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(28-10)1-27-33(21,22)30-35(
           c1(c2(c(ncn1)n(cn2)C3(OC(C(O)C(O)3)COP(O)(=O)OP(O)(=O)OP(O)(=O)OP(O)(=O)O)))(N)
CPD-6082   C(N)CC=O InChI=1/C3H7NO/c4-2-1-3-5/h3H,1-2,4H2
CPD-609               InChI=1/C20H28N10O21P4/c21-19-25-13-7(15(35)27-19)23-3-29(13)17-11(33)9(31)5(47-17)1-45-52(3
           C(C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N))))OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4(OC(C(O)C4O)n5
CPD-61                InChI=1/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)
           C(O)(=O)C(C)C(O)(C)C(=O)O
CPD-610               InChI=1/H3O9P3/c1-10(2)7-11(3,4)9-12(5,6)8-10/h(H,1,2)(H,3,4)(H,5,6)
           P1(=O)(OP(=O)(O)OP(O1)(O)=O)(O)
CPD-611               InChI=1/C12H19N4O10P3S/c1-8-11(30-7-16(8)6-10-5-14-9(2)15-12(10)13)3-4-24-28(20,21)26-29(22,2
           c1(nc(N)c(cn1)C[n+1]2(c(C)c(sc2)CCOP(O)(=O)OP(O)(=O)OP(O)(=O)O))(C)
CPD-612               InChI=1/C5H6O4/c1-3(6)2-4(7)5(8)9/h2H2,1H3,(H,8,9)
           C(O)(=O)C(=O)CC(C)=O
CPD-6121              InChI=1/C7H16N2O/c8-4-3-6-9-5-1-2-7-10/h7,9H,1-6,8H2
           C(N)CCNCCCC=O
CPD-6122              InChI=1/C7H14N2/c1-3-7-8-4-2-6-9(7)5-1/h7-8H,1-6H2
           C1(CCC2(N1CCCN2))
CPD-6123              InChI=1/C7H15N2/c8-4-3-7-9-5-1-2-6-9/h5H,1-4,6-8H2/q+1
           C(N)CC[N+1]1(CCCC=1)
CPD-6124              I
           C1(CCC=N1)nChI=1/C4H7N/c1-2-4-5-3-1/h3H,1-2,4H2
CPD-613               InChI=1/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)
           C(O)(=O)C(=O)C=CCC(=O)c1(ccccc1)
CPD-614    C(Cl)Br    InChI=1/CH2BrCl/c2-1-3/h1H2
CPD-6141              InChI=1/C4H9NO2/c1-5-3-2-4(6)7/h5H,2-3H2,1H3,(H,6,7)
           C(NC)CC(=O)O
CPD-6142              InChI=1/C5H11NO2/c1-6(2)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8)
           C(N(C)C)CC(=O)O
CPD-615               InChI=1/C7H5ClO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
           C(O)(=O)c1(ccc(Cl)cc1)
CPD-616               InChI=1/C7H8O3/c1-4-2-5(8)3-6(9)7(4)10/h2-3,8-10H,1H3
           Cc1(c(O)c(O)cc(c1)O)
CPD-6161              InChI=1/C12H13N5O/c18-9-4-2-1-3-8(9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,7,14,18H,5-6H2,(H
           c2(ncnc1(c(NCN1)2))NCc3(c(O)cccc3)
CPD-6162              InChI=1/C12H13N5O/c18-9-3-1-8(2-4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,7,14,18H,5-6H2,(H
           c2(c1(c(NCN1)ncn2))(NCc3(ccc(O)cc3))
CPD-617               InChI=1/C7H8O5/c1-4(8)2-5(9)3-6(10)7(11)12/h2-3H2,1H3,(H,11,12)
           CC(=O)CC(=O)CC(=O)C(=O)O
CPD-618               InChI=1/C7H10O7/c1-7(14,6(12)13)3(5(10)11)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
           CC(C(=O)O)(O)C(C(=O)O)CC(=O)O
CPD-6181              InChI=1/C6H13NO2/c1-7(2,3)5-4-6(8)9/h4-5H2,1-3H3
           C([N+1](C)(C)C)CC(=O)[O-1]
CPD-619               InChI=1/C6H10O5/c1-3(4(7)8)6(2,11)5(9)10/h3,11H,1-2H3,(H,7,8)(H,9,10)
           C(O)(=O)C(C)C(O)(C)C(=O)O
CPD-62                InChI=1/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29
           C(OP(=O)(O)OC(=O)c1(c(O)c(O)ccc1))C2(OC(C(O)C2O)n3(c4(c(nc3)c(N)ncn4)))
CPD-620               InChI=1/C6H10O5/c1-2-6(11,5(9)10)3-4(7)8/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
           C(O)(=O)CC(O)(CC)C(=O)O
CPD-6201              InChI=1/C20H26O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(2
           CC1([CH]4(C(CCC(O)1)(C=O)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
CPD-6202              InChI=1/C20H28O6/c1-10-7-20-8-11(10)3-4-12(20)19(9-21)6-5-13(22)18(2,17(25)26)15(19)14(20)16(2
           CC1([CH]4(C(CCC(O)1)(CO)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
CPD-6203              InChI=1/C20H28O7/c1-10-7-19-8-20(10,27)6-3-11(19)18(9-21)5-4-12(22)17(2,16(25)26)14(18)13(19)1
           CC1([CH]4(C(CCC(O)1)(CO)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
CPD-621               InChI=1/C6H8O6/c7-3(1-2-4(8)9)5(10)6(11)12/h5,10H,1-2H2,(H,8,9)(H,11,12)
           C(O)(=O)C(O)C(=O)CCC(=O)O
CPD-622               InChI=1/C7H10O7/c1-3(5(10)11)7(14,6(12)13)2-4(8)9/h3,14H,2H2,1H3,(H,8,9)(H,10,11)(H,12,13)
           CC(C(O)=O)C(O)(C(O)=O)CC(O)=O
CPD-6221              InChI=1/C20H26O7/c1-9-7-19-8-10(9)3-4-11(19)20(17(26)27)6-5-12(21)18(2,16(24)25)14(20)13(19)15
           CC1([CH]4(C(CCC(O)1)(C(=O)O)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
CPD-6222              InChI=1/C20H26O8/c1-8-5-19-6-9(8)3-4-11(19)20(17(27)28)7-10(21)14(22)18(2,16(25)26)13(20)12(19
           CC1([CH]4(C(CC(O)C(O)1)(C(=O)O)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
CPD-6223              InChI=1/C20H26O7/c1-9-5-19-6-10(9)3-4-12(19)20(17(26)27)8-11(21)7-18(2,16(24)25)14(20)13(19)15
           CC1([CH]4(C(CC(O)C1)(C(=O)O)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
CPD-6224              InChI=1/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22
           C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(C(O)C(O)C3)(C)[CH]4C5C(=O)O))))
CPD-6225              InChI=1/C20H26O8/c1-9-7-18-8-19(9,28)5-3-10(18)20(16(26)27)6-4-11(21)17(2,15(24)25)13(20)12(18
           CC1([CH]4(C(CCC(O)1)(C(=O)O)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
CPD-6226              InChI=1/C20H26O9/c1-8-5-18-7-19(8,29)4-3-10(18)20(16(27)28)6-9(21)13(22)17(2,15(25)26)12(20)11
           CC1([CH]4(C(CC(O)C(O)1)(C(=O)O)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
CPD-6227              InChI=1/C20H28O4/c1-11-8-20-9-12(11)4-5-14(20)18(2)7-6-15(22)19(3,17(23)24)16(18)13(20)10-21/h
           CC1([CH]4(C(CCC(O)1)(C)[CH]3(C2(CC(C(=C)C2)CC3)(C4C=O))))(C(=O)O)
CPD-6228              InChI=1/C20H28O5/c1-10-8-20-9-11(10)4-5-12(20)18(2)7-6-13(21)19(3,17(24)25)15(18)14(20)16(22)2
           CC1([CH]4(C(CCC(O)1)(C)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
CPD-623               InChI=1/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
           c1(O)(cccc(c1)O)
CPD-625               InChI=1/C29H48N7O18P3S/c1-28(2,23(40)26(41)32-9-6-18(37)31-10-11-58-19(38)12-29(42)7-4-3-5-8-
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC
CPD-627               InChI=1/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10
           C1(OC(C(C(O)1)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)(C)C(=O)O)(n2(c3
CPD-628               InChI=1/C6H6O8/c7-2(5(11)12)1(4(9)10)3(8)6(13)14/h1-2,7H,(H,9,10)(H,11,12)(H,13,14)
           C(=O)(O)C(C(=O)C(=O)O)C(O)C(=O)O
CPD-629               InChI=1/C5H4N2O4/c8-3-2(4(9)10)1-6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
           c1(c(C(=O)O)c(=O)nc(=O)n1)
CPD-63                InChI=1/C17H24O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h
           C(O)C=Cc1(cc(OC)c(c(c1)OC)OC2(OC(CO)C(O)C(O)C(O)2))
CPD-630    CC(C)CN InChI=1/C4H11N/c1-4(2)3-5/h4H,3,5H2,1-2H3
CPD-631    C(N)CCSC InChI=1/C4H11NS/c1-6-4-2-3-5/h2-5H2,1H3
CPD-632               InChI=1/C19H22O6/c1-8-6-19-7-9(8)3-4-11(19)10-5-12(20)15(21)18(2,17(24)25)13(10)14(19)16(22)23
           CC1([CH]4(C(=CC(=O)C(O)1)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
CPD-633               InChI=1/C7H6O4/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,8-9H,(H,10,11)
           C(=O)(O)c1(c(O)ccc(c1)O)
CPD-634               InChI=1/C28H48O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(
           CC(C)C(C)C(O)C(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](C(=O)C3)CC(O)C(O)C4)(C))))
CPD-635               InChI=1/C8H6O6/c9-4-2-1-3(7(11)12)5(6(4)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
           C(O)(=O)c1(c(C(=O)O)c(O)c(O)cc1)
CPD-636               InChI=1/C8H6O6/c9-5-1-3(7(11)12)4(8(13)14)2-6(5)10/h1-2,9-10H,(H,11,12)(H,13,14)
           C(O)(=O)c1(c(C(=O)O)cc(O)c(O)c1)
CPD-6361              InChI=1/C8H7NO/c10-8-5-6-3-1-2-4-7(6)9-8/h1-4H,5H2,(H,9,10)
           C1(Cc2(c(N1)cccc2))(=O)
CPD-6362              InChI=1/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,7,10H,(H,9,11)
           C1(C(O)c2(c(N1)cccc2))(=O)
CPD-6364              InChI=1/C8H7NO3/c10-7-8(11)12-6-4-2-1-3-5(6)9-7/h1-4,8,11H,(H,9,10)
           C1(C(O)Oc2(c(N1)cccc2))(=O)
CPD-6365              InChI=1/C8H7NO4/c10-7-8(11)13-6-4-2-1-3-5(6)9(7)12/h1-4,8,11-12H
           C1(C(O)Oc2(c(N(O)1)cccc2))(=O)
CPD-6366              InChI=1/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
           C1(C(O)Oc2(c(N(O)1)ccc(c2)OC))(=O)
CPD-6367              InChI=1/C8H7NO5/c10-4-1-2-5-6(3-4)14-8(12)7(11)9(5)13/h1-3,8,10,12-13H
           C1(C(O)Oc2(c(N(O)1)ccc(O)c2))(=O)
CPD-637               InChI=1/C8H8O3/c1-5-3-2-4-6(9)7(5)8(10)11/h2-4,9H,1H3,(H,10,11)
           C(O)(=O)c1(c(O)cccc(C)1)
CPD-638               InChI=1/C20H28O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(2
           CC1([CH]4(C(CCC1)(CO)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
CPD-639               InChI=1/C6H16NO/c1-6(8)5-7(2,3)4/h6,8H,5H2,1-4H3/q+1
           C(C(C)O)[N+1](C)(C)C
CPD-640               InChI=1/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h5-6H,(H,7,8)(H,9,10)
           C(O)(=O)C(O)=C(O)C(=O)O
CPD-6401              InChI=1/C10H18N4O5S/c11-5(10(18)19)1-2-8(16)14-6(4-20)9(17)13-3-7(12)15/h5-6,20H,1-4,11H2,(H2
           C(O)(=O)C(N)CCC(=O)NC(CS)C(=O)NCC(=O)N
CPD-6402              InChI=1/C20H34N8O10S2/c21-9(19(35)36)1-3-15(31)27-11(17(33)25-5-13(23)29)7-39-40-8-12(18(34)
           C(CCC(N)C(=O)O)(=O)NC(C(=O)NCC(=O)N)CSSCC(C(=O)NCC(=O)N)NC(=O)CCC(N)C(O)=O
CPD-6403              InChI=1/C10H18N4O5S2/c11-5(10(18)19)1-2-8(16)14-6(4-21-20)9(17)13-3-7(12)15/h5-6,20H,1-4,11H2
           C(=O)(O)C(N)CCC(=O)NC(CSS)C(=O)NCC(N)=O
CPD-6404              InChI=1/C9H9NO4/c1-13-5-2-3-6-7(4-5)14-9(12)8(11)10-6/h2-4,9,12H,1H3,(H,10,11)
           C1(C(O)Oc2(c(N1)ccc(c2)OC))(=O)
CPD-6405              InChI=1/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)
           C1(COc2(c(N1)cccc2))(=O)
CPD-641               InChI=1/C6H14O10P2/c1-6(9,4-5(7)8)2-3-15-18(13,14)16-17(10,11)12/h9H,2-4H2,1H3,(H,7,8)(H,13,14
           CC(CC(=O)O)(O)CCOP(O)(=O)OP(O)(=O)O
CPD-642               InChI=1/C43H50N4O16/c1-19-40-23(13-37(58)59)21(5-9-33(50)51)27(46-40)14-26-20(4-8-32(48)49)2
           CC4(c1(nc(c(c1CC(O)=O)CCC(O)=O)Cc2(nc(c(CC(O)=O)c2CCC(O)=O)C=C3(N=C(C(C)(CC(O)=O)C3CCC(O)=O)C=C5(C(C
CPD-6421              InChI=1/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3
           C(OC)(=O)C=Cc1(ccccc1)
CPD-643               InChI=1/C43H50N4O17/c1-40(17-37(60)61)23(6-10-33(52)53)28-15-27-21(12-35(56)57)19(4-8-31(48)
           CC5(O)(C12(NC(C(C(C)(CC(O1)=O)2)CCC(O)=O)=CC3(=NC(=C(C(C)3CC(O)=O)CCC(O)=O)Cc4(nc(c(c4CC(O)=O)CCC(O)
CPD-644               InChI=1/C9H11NO3/c10-7(9(12)13)8(11)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)
           C(O)(=O)C(N)C(O)c1(ccccc1)
CPD-6441              InChI=1/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
           C(OC)(=O)c1(ccccc1)
CPD-6442              InChI=1/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
           C(OC)(=O)c1(c(O)cccc1)
CPD-6443              InChI=1/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
           C(c1(ccccc1))(=O)OCc2(ccccc2)
CPD-645               InChI=1/C6H11O9P/c7-3(1-5(9)10)6(11)4(8)2-15-16(12,13)14/h3,6-7,11H,1-2H2,(H,9,10)(H2,12,13,14)
           C(O)(=O)CC(O)C(O)C(=O)COP(O)(=O)O
CPD-647               InChI=1/C14H12O2/c15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12/h1-10,13,15H
           c1(c(cccc1)C(=O)C(O)c2(ccccc2))
CPD-648               InChI=1/C8H7NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H
           C(#N)[CH](O)c1(ccc(O)cc1)
CPD-6481              InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
           C=CCc1(cc(OC)c(O)cc1)
CPD-6482              InChI=1/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
           C=CCc1(cc(OC)c(OC)cc1)
CPD-6483              InChI=1/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2
           C=CCc1(ccc(O)cc1)
CPD-6484              InChI=1/C10H12O/c1-3-4-9-5-7-10(11-2)8-6-9/h3,5-8H,1,4H2,2H3
           C=CCc1(ccc(OC)cc1)
CPD-6485              InChI=1/C4H8O3/c1-3(6)4(7)2-5/h4-5,7H,2H2,1H3
           C(O)C(O)C(C)=O
CPD-649               InChI=1/C18H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(20)17(19)16-24-25(21,22)23/h17-18,
           C(OP(O)(=O)O)C(N)C(O)CCCCCCCCCCCCCCC
CPD-65                InChI=1/C8H7NS/c9-7-10-6-8-4-2-1-3-5-8/h1-5H,6H2
           C(SC#N)c1(ccccc1)
CPD-650               InChI=1/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44
           C1(OC(C(C(O)1)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)C)(n2(c3(c(nc2)c
CPD-6501              InChI=1/C9H10O2/c1-8(10)11-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
           C(OC(C)=O)c1(ccccc1)
CPD-651               InChI=1/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-
           CC(=O)C14(NC(C(C(C)(CC(O)=O)1)CCC(O)=O)=CC2(=NC(=C(C(C)2CC(O)=O)CCC(O)=O)Cc3(nc(c(c3CC(O)=O)CCC(O)=O
CPD-653               InChI=1/C21H31N7O15P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(33)14(31)10(42-21)5-40-45(37,
           C1(OC(C(O)C(O)1)COP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(c4(c(nc3)c(N)ncn4))))([N+1]5(C(O)CCC(=C5)C(=O)N
CPD-654               InChI=1/C5H6O4/c6-3-1-2-4(7)5(8)9/h3H,1-2H2,(H,8,9)
           [CH](=O)CCC(=O)C(=O)O
CPD-6542              InChI=1/C10H12O5/c1-2-3-15-10(14)6-4-7(11)9(13)8(12)5-6/h4-5,11-13H,2-3H2,1H3
           C(=O)(OCCC)c1(cc(O)c(O)c(O)c1)
CPD-6543              InChI=1/C7H7NO3/c9-6-4-2-1-3-5(6)7(10)8-11/h1-4,9,11H,(H,8,10)
           C(O)(=NO)c1(c(O)cccc1)
CPD-655               InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
           C(=O)(O)C(N)C(O)C(O)=O
CPD-656               InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
           C1(NC(C(O)=O)CC1)(=O)
CPD-6561              InChI=1/C16H21NO10/c1-23-7-3-4-8-9(5-7)25-16(14(22)17(8)24-2)27-15-13(21)12(20)11(19)10(6-18)2
           C2(C(OC1(OC(CO)C(O)C(O)C(O)1))Oc3(c(N(OC)2)ccc(c3)OC))(=O)
CPD-6562              InChI=1/C15H19NO10/c1-23-6-2-3-7-8(4-6)24-15(13(21)16(7)22)26-14-12(20)11(19)10(18)9(5-17)25-1
           C2(C(OC1(OC(CO)C(O)C(O)C(O)1))Oc3(c(N(O)2)ccc(c3)OC))(=O)
CPD-6563              InChI=1/C14H17NO9/c16-5-8-9(17)10(18)11(19)13(23-8)24-14-12(20)15(21)6-3-1-2-4-7(6)22-14/h1-4
           C2(C(OC1(OC(CO)C(O)C(O)C(O)1))Oc3(c(N(O)2)cccc3))(=O)
CPD-657    C(#N)N     InChI=1/CH2N2/c2-1-3/h2H2
CPD-658               InChI=1/C15H24N3O15P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22
           C1(OC(C)C(=O)C(O)C(O)1)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(c(=O)nc(N)cc3))
CPD-659               InChI=1/C10H13NO5/c11-7(8(13)14)5-10(9(15)16)3-1-6(12)2-4-10/h1-4,6-7,12H,5,11H2,(H,13,14)(H,1
           C(O)(=O)C(N)CC1(C=CC(O)C=C1)(C(=O)O)
CPD-66                InChI=1/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)
           C(O)(=O)C(O)C(=O)C(=O)O
CPD-660               InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
           C(O)(=O)CC(O)C(=O)O
CPD-6601              InChI=1/C93H154N22O24/c1-48(2)44-60(74(128)109-93(25,26)85(139)114-42-30-34-61(114)51(7)97-
           C(O)C(Cc1(ccccc1))NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C(C)C)NC(C)C2(N(
CPD-6602              InChI=1/C21H22O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27
           c1(c(ccc(O)c1OC)C=CC([OH])cc([oH])C=Cc2(cc(OC)c(O)cc2))
CPD-661    C#CC(=O)O InChI=1/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)
CPD-662               InChI=1/C45H54N4O17/c1-21(50)45-40-26(15-37(61)62)41(2,13-12-35(57)58)30(47-40)16-27-22(6-9-
           CC1(C5(=NC(=C1CCC(O)=O)CC2(N=C(C(CCC(O)=O)=C2CC(=O)O)CC3(=NC(=C(CC(O)=O)C3(C)CCC(O)=O)C4(C(CC(O)=
CPD-6622              InChI=1/C27H32O11/c1-35-21-11-15(5-9-19(21)31)3-7-17(29)13-18(30)8-4-16-6-10-20(22(12-16)36-2
           C1(C(O)C(O)C(O)C(O1)CO)Oc2(ccc(cc2OC)C=CC([OH])cc([oH])C=Cc3(cc(OC)c(O)cc3))
CPD-6623              InChI=1/C33H42O16/c1-44-22-11-16(5-9-20(22)46-32-30(42)28(40)26(38)24(14-34)48-32)3-7-18(36)1
           C1(C(O)C(O)C(O)C(O1)CO)Oc2(ccc(cc2OC)C=CC([OH])cc([oH])C=Cc3(ccc(c(c3)OC)OC4(C(O)C(O)C(O)C(O4)CO)))
CPD-6624              InChI=1/C33H42O16/c1-44-22-11-16(5-9-20(22)37)3-7-18(35)13-19(36)8-4-17-6-10-21(23(12-17)45-2
           C1(C(O)C(O)C(O)C(O1)COC2(OC(CO)C(O)C(O)C(O)2))Oc3(ccc(cc3OC)C=CC([OH])cc([oH])C=Cc4(cc(OC)c(O)cc4))
CPD-6625              InChI=1/C39H52O21/c1-53-23-11-17(5-9-21(23)56-38-35(51)32(48)29(45)26(15-41)59-38)3-7-19(42)1
           C1(C(O)C(O)C(O)C(O1)COC2(OC(CO)C(O)C(O)C(O)2))Oc3(ccc(cc3OC)C=CC([OH])cc([oH])C=Cc4(ccc(c(c4)OC)OC5(C(O
CPD-6626              InChI=1/C45H62O26/c1-62-24-11-18(5-9-22(24)66-44-40(60)36(56)32(52)28(70-44)16-64-42-38(58)34
           C1(C(O)C(O)C(O)C(O1)COC2(OC(CO)C(O)C(O)C(O)2))Oc3(ccc(cc3OC)C=CC([OH])cc([oH])C=Cc4(ccc(c(c4)OC)OC5(OC
CPD-6627              InChI=1/C15H19NO9/c1-22-16-7-4-2-3-5-8(7)23-15(13(16)21)25-14-12(20)11(19)10(18)9(6-17)24-14/
           C2(C(OC1(OC(CO)C(O)C(O)C(O)1))Oc3(c(N(OC)2)cccc3))(=O)
CPD-663               InChI=1/C15H22N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22
           CC1(OC(C(O)C(O)C1=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
CPD-664               InChI=1/C5H9NO3/c7-3-1-2-6-4(3)5(8)9/h3-4,6-7H,1-2H2,(H,8,9)
           C1(NC(C(=O)O)C(O)C1)
CPD-6641              InChI=1/C15H10O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-6,16-19H
           C2(=C(c1(c(O)cc(O)cc1))C(=O)c3(c(O2)cc(O)cc3O))
CPD-6642              InChI=1/C20H18O6/c1-10(2)3-5-13-16(23)8-17-18(19(13)24)20(25)14(9-26-17)12-6-4-11(21)7-15(12)2
           CC(C)=CCc2(c(O)c1(C(=O)C(=COc1cc(O)2)c3(c(O)cc(O)cc3)))
CPD-6643              InChI=1/C20H18O6/c1-10(2)3-4-13-15(22)6-5-12(19(13)24)14-9-26-17-8-11(21)7-16(23)18(17)20(14)2
           C2(=C(C(=O)c1(c(O)cc(O)cc1O2))c3(c(O)c(c(O)cc3)CC=C(C)C))
CPD-6644              InChI=1/C20H18O5/c1-11(2)3-8-14-16(22)9-17-18(19(14)23)20(24)15(10-25-17)12-4-6-13(21)7-5-12/h
           CC(C)=CCc2(c(O)cc1(OC=C(C(=O)c1c2O)c3(ccc(O)cc3)))
CPD-6645              InChI=1/C20H18O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)2
           CC(C)=CCc2(c1(OC=C(C(=O)c1c(O)cc2O)c3(c(O)cc(O)cc3)))
CPD-6646              InChI=1/C15H12O6/c16-7-1-2-9(11(18)3-7)10-6-21-13-5-8(17)4-12(19)14(13)15(10)20/h1-5,10,16-19H
           C2(C(c1(c(O)cc(O)cc1))C(=O)c3(c(O2)cc(O)cc(O)3))
CPD-665    CC[CH]=O InChI=1/C3H6O/c1-2-3-4/h3H,2H2,1H3
CPD-666               InChI=1/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)
           c1(n(c(=O)[nH]c(c1)=O)CC(N)C(O)=O)
CPD-6661              InChI=1/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(O)C(OP(O)([O-1])=O)1)(OP(O)([O-1])=O)
CPD-667               InChI=1/C6H11NO4/c1-4(8)11-3-2-5(7)6(9)10/h5H,2-3,7H2,1H3,(H,9,10)
           C(C)(=O)OCCC(N)C(=O)O
CPD-668               InChI=1/C6H8O7/c7-4(8)1-3(6(11)12)13-2-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
           C(C(=O)O)OC(C(O)=O)CC(O)=O
CPD-6681              InChI=1/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2
           C1(C(OP(O)([O-1])=O)C(O)C(OP(O)([O-1])=O)C(O)C(O)1)(OP(O)([O-1])=O)
CPD-669               InChI=1/C13H18N6O3/c1-8(5-20)2-3-15-11-10-12(17-6-16-11)19(7-18-10)4-9(14)13(21)22/h2,6-7,9,20
           CC(CO)=CCNc1(c2(c(ncn1)n(cn2)CC(N)C(O)=O))
CPD-67                InChI=1/C2H5O6P/c3-2(4)1-8-9(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
           C(C(=O)O)OP(=O)(O)O
CPD-670               InChI=1/C6H9N3O2/c7-5(6(10)11)4-9-3-1-2-8-9/h1-3,5H,4,7H2,(H,10,11)
           C(=O)(O)C(N)Cn1(cccn1)
CPD-6701              InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-1
           C1(C(O)C(OP(O)([O-1])=O)C(O)C(O)C(O)1)(O)
CPD-6702              InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-1
           C1(C(O)C(O)C(OP(O)([O-1])=O)C(O)C(O)1)(O)
CPD-671               InChI=1/C20H24N8O6/c21-9-28-12(8-24-16-15(28)18(32)27-20(22)26-16)7-23-11-3-1-10(2-4-11)17(31
           C(C1(N(C=N)c2(c(NC1)nc(N)[nH]c2=O)))Nc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O)
CPD-672               InChI=1/C25H43N8O17P3S/c1-13(26)8-16(35)54-7-6-28-15(34)4-5-29-23(38)20(37)25(2,3)10-47-53(44
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(N)C)COP(O)(=O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n2(c3(c(nc2)c(N)
CPD-6721              InChI=1/C20H18O5/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12/h
           CC(C)=CCc3(c2(OC=C(c1(ccc(O)cc1))C(=O)c2c(O)cc3O))
CPD-6722              InChI=1/C20H18O5/c1-11(2)3-4-13-7-12(5-6-16(13)22)15-10-25-18-9-14(21)8-17(23)19(18)20(15)24/h
           CC(C)=CCc1(cc(ccc1O)C2(C(=O)c3(c(OC=2)cc(O)cc(O)3)))
CPD-673               InChI=1/C3H7NO6S/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
           C(OS(O)(=O)=O)C(N)C(O)=O
CPD-674               InChI=1/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)
           C(O)(=O)C=Cc1(ccccc1)
CPD-6741              InChI=1/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(C(O)1)OP(O)([O-1])=O)(OP(O)([O-1])=O)
CPD-6742              InChI=1/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(C(O)1)OP(O)([O-1])=O)(O)
CPD-6743              InChI=1/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(O)C(O)1)(OP(O)([O-1])=O)
CPD-6744              InChI=1/C6H15O15P3/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15/h1-9H,(H2
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(O)C(O)1)(O)
CPD-6745              InChI=1/C6H15O15P3/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15/h1-9H,(H2
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(O)C(O)C(O)1)(OP(O)([O-1])=O)
CPD-6746              InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-1
           C1(C(OP(O)([O-1])=O)C(O)C(O)C(O)C(O)1)(O)
CPD-6747              InChI=1/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(O)C(O)C(O)1)(O)
CPD-675               InChI=1/C44H54N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(
           CC1(C5(=NC(=C1CCC(O)=O)CC2(NC(C(CCC(O)=O)=C2CC(=O)O)=CC3(=NC(=C(CC(O)=O)C3(C)CCC(O)=O)C4(C(CC(O)=
CPD-676               InChI=1/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)
           C(O)(=O)C=Cc1(cc(O)c(O)cc1)
CPD-6761              InChI=1/C5H6O3/c1-2-3-4(6)5(7)8/h2-3,6H,1H2,(H,7,8)/p-1
           C=CC=C(O)C(=O)[O-1]
CPD-677               InChI=1/C4H8N2O4/c5-2(3(7)8)1-10-4(6)9/h2H,1,5H2,(H2,6,9)(H,7,8)
           C(OC(=O)N)C(N)C(O)=O
CPD-678    [SeH2]     InChI=1/H2Se/h1H2
CPD-6781              InChI=1/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)
           C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(O)C(O)C(OP(O)([O-1])=O)1)(OP(O)([O-1])=O)
CPD-6782              InChI=1/C6H15O15P3/c7-1-2(8)4(19-22(10,11)12)6(21-24(16,17)18)5(3(1)9)20-23(13,14)15/h1-9H,(H2
           C1(C(OP(O)([O-1])=O)C(O)C(O)C(O)C(OP(O)([O-1])=O)1)(OP(O)([O-1])=O)
CPD-6783              InChI=1/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(
           C1(C(OP(O)([O-1])=O)C(O)C(O)C(O)C1OP(O)([O-1])=O)(O)
CPD-679               InChI=1/C44H56N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(
           CC1(C5(=NC(=C1CCC(O)=O)CC2(NC(C(CCC(O)=O)=C2CC(=O)O)=CC3(=N[CH](C(CC(O)=O)C3(C)CCC(O)=O)C4(C(CC(O)
CPD-68                InChI=1/C4H7NO2/c5-4(1-2-4)3(6)7/h1-2,5H2,(H,6,7)
           C(O)(=O)C1(CC1)(N)
CPD-680               InChI=1/C5H8ClNO2/c1-3(6)2-4(7)5(8)9/h4H,1-2,7H2,(H,8,9)
           C=C(Cl)CC(N)C(=O)O
CPD-6801              InChI=1/C13H12O4/c1-7-3-9(15)5-12-13(7)11(16)6-10(17-12)4-8(2)14/h3,5-6,15H,4H2,1-2H3
           CC(=O)CC1(Oc2(c(C(C=1)=O)c(C)cc(c2)O))
CPD-681    C(Cl)Cl    InChI=1/CH2Cl2/c2-1-3/h1H2
CPD-682               InChI=1/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3
           CC2(C1(C(C1)(C(C)C)CC2))(O)
CPD-683               InChI=1/C9H13N3O7P/c10-5-1-2-12(9(14)11-5)8-6(13)7-4(18-8)3-17-20(15,16)19-7/h1-2,4,6-8,13H,3H
           C1(C(O)C2(C(O1)COP(=O)(O2)O))(n3(c(=O)nc(N)cc3))
CPD-684               InChI=1/C20H32/c1-15-8-6-10-16(2)12-13-18-19(20(18,4)5)14-17(3)11-7-9-15/h9-10,14,18-19H,6-8,11
           CC2(CCC=C(C)CCC1(C(C(C)(C)1)C=C(C)CCC=2))
CPD-685               InChI=1/C10H18O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7-8,11H,4-6H2,1-3H3
           CC12(C(O)C(C)(C)C(C1)CC2)
CPD-686               InChI=1/C45H60N4O14/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19
           CC1(C5(N=C(C1CCC(O)=O)CC2(N=C(C(=C(C)2)CCC(O)=O)C(C)C3(=N[CH](C(CC(O)=O)C3(C)CCC(O)=O)C4(C(CC(O)=O)(
CPD-6862              InChI=1/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
           C1(=O)(OC(C)=CC(=C1)O)
CPD-687               InChI=1/C45H60N4O14/c1-21-36-24(10-13-30(52)53)41(3,4)28(47-36)18-27-23(9-12-29(50)51)43(6,19
           CC1(C5(N=C(C1CCC(O)=O)C=C2(N=C(C(C(C)(C)2)CCC(O)=O)C(C)=C3(N[CH](C(CC(O)=O)C3(C)CCC(O)=O)C4(C(CC(O)=
CPD-688               InChI=1/C45H62N6O12/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19
           CC1(C5(N=C(C1CCC(O)=O)C=C2(N=C(C(C(C)(C)2)CCC(O)=O)C(C)=C3(N[CH](C(CC(O)=O)C3(C)CCC(O)=O)C4(C(CC(N)=
CPD-6881              InChI=1/C13H10O4/c14-9-6-10(15)12(11(16)7-9)13(17)8-4-2-1-3-5-8/h1-7,14-16H
           c1(c(O)c(c(O)cc(O)1)C(=O)c2(ccccc2))
CPD-6882              InChI=1/C13H8O5/c14-6-4-9(16)11-10(5-6)18-13-7(12(11)17)2-1-3-8(13)15/h1-5,14-16H
           C12(=C(C=C(O)C=C(O)1)OC3(C(C(=O)2)=CC=CC(O)=3))
CPD-6883              InChI=1/C13H8O5/c14-6-1-2-10-8(3-6)13(17)12-9(16)4-7(15)5-11(12)18-10/h1-5,14-16H
           C2(=O)(C1(=C(C=C(O)C=C1O)OC3(C2=CC(O)=CC=3)))
CPD-6884              InChI=1/C13H8O6/c14-5-1-9(17)12-11(2-5)19-10-4-8(16)7(15)3-6(10)13(12)18/h1-4,14-17H
           C2(=O)(C1(=C(C=C(O)C=C1O)OC3(C2=CC(O)=C(O)C=3)))
CPD-6885              InChI=1/C13H8O6/c14-5-3-8(17)10-9(4-5)19-13-7(16)2-1-6(15)11(13)12(10)18/h1-4,14-17H
           C3(=O)(C1(C(=C(O)C=CC(O)=1)OC2(C=C(O)C=C(C=23)O)))
CPD-6886              InChI=1/C13H8O6/c14-5-3-8(16)10-9(4-5)19-13-6(11(10)17)1-2-7(15)12(13)18/h1-4,14-16,18H
           C3(=O)(C1(C(=C(O)C(O)=CC=1)OC2(C=C(O)C=C(C=23)O)))
CPD-689               InChI=1/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(
           CC1(C3(N8(=C(C1CCC(O)=O)C=C2(N5(=C(C(C(C)(C)2)CCC(O)=O)C(C)=C7(C(C)(CCC(O)=O)C(CC(O)=O)[CH]6(C4(C(CC(N
CPD-69     C(#N)O     InChI=1/CHNO/c2-1-3/h3H
CPD-690               InChI=1/C45H62N6O12.C10H12N5O3.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12
           CC3(C7(N2([Co+1]68(N1(=C(C(CCC(O)=O)C(C)(C)C1=CC=2C3CCC(O)=O)C(C)=C4(N([CH](C(CC(O)=O)C4(C)CCC(O)=O)
CPD-6901              InChI=1/C12H17NO3/c1-2-3-4-5-6-7-8-9(14)10-11(16-10)12(13)15/h2-3,5-6,10-11H,4,7-8H2,1H3,(H2,1
           CC=CCC=CCCC(=O)C1(C(O1)C(=O)N)
CPD-691               InChI=1/C45H66N10O8.C10H12N5O3.Co/c1-21-36-24(10-13-30(47)57)41(3,4)28(53-36)18-27-23(9-12
           CC3(C7(N2([Co+1]68(N1(=C(C(CCC(N)=O)C(C)(C)C1=CC=2C3CCC(N)=O)C(C)=C4(N([CH](C(CC(N)=O)C4(C)CCC(O)=O)
CPD-692               InChI=1/C15H20O3/c1-11(6-8-16)5-7-15(18)12(2)9-13(17)10-14(15,3)4/h5-9,18H,10H2,1-4H3
           CC(=CC=O)C=CC1(O)(C(C)=CC(=O)CC(C)1C)
CPD-693               InChI=1/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17
           CC(=CC(O)=O)C=CC1(C(C)(C)CC(=O)C=C(C)1)(O)
CPD-694               InChI=1/C45H62N6O12.Co/c1-21-36-24(10-13-32(56)57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(
           CC1(C3(N8(=C(C1CCC(O)=O)C=C2(N5(=C(C(C(C)(C)2)CCC(O)=O)C(C)=C7(C(C)(CCC(O)=O)C(CC(O)=O)[CH]6(C4(C(CC(N
CPD-6941              InChI=1/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)
           C(CCl)P(=O)(O)O
CPD-6947              InChI=1/C30H44O2/c1-22(2)11-8-12-23(3)13-9-14-24(4)15-10-16-25(5)19-20-26-21-29(31)27-17-6-7-1
           CC(CCCC(C)CCCC(C)C)CCCC(C)=CCC1(C(=O)C2(=C(C(=O)C=1)C=CC=C2))
CPD-6948              InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)2
           CC1(C2(C(CCC(O)1)(C)C3(C(CC2)(C)C4(C(=CC3)C5(C(CC4)(C)CCC(C)(C)C5))(C))))(C)
CPD-6949              InChI=1/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)2
           CC1(C(=C)CCC2(C1C3(C(CC2)(C)C4(C(CC3)C5(C(CC4)C(C)(C)C(O)CC5)(C))(C)))(C))
CPD-695               InChI=1/C20H28O5/c1-11-9-19-10-20(11,25)8-5-12(19)17(2)6-4-7-18(3,16(23)24)14(17)13(19)15(21)2
           CC1([CH]4(C(CCC1)(C)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
CPD-6950              InChI=1/C30H50O/c1-19-11-14-27(5)17-18-29(7)21(25(27)20(19)2)9-10-23-28(6)15-13-24(31)26(3,4)2
           CC1(C(C)=CCC2(C1C3(C(CC2)(C)C4(C(CC3)C5(C(CC4)C(C)(C)C(O)CC5)(C))(C)))(C))
CPD-6951              InChI=1/C30H52O2/c1-25(2)21-12-16-30(8)22(28(21,6)15-13-23(25)31)10-9-20-24-19(26(3,4)32)11-14
           CC15(CCC(C(C)(C)O)[CH]([CH]2(C(CC1)(C)C3([CH](CC2)C4([CH](CC3)C(C)(C)C(O)CC4)(C))(C)))5)
CPD-6953              InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2
           C1([CH]([OH])[CH]([OH])[CH]([OH])[CH](O1)C[OH])(=O)
CPD-6954              InChI=1/C15H14O6/c16-11-4-1-10(2-5-11)3-6-12(17)7-13(18)8-14(19)9-15(20)21/h1-6,16H,7-9H2,(H,2
           C(O)(=O)CC(=O)CC(=O)CC(=O)C=Cc1(ccc(O)cc1)
CPD-6955              InChI=1/C15H12O5/c16-11-4-1-10(2-5-11)3-6-12(17)7-14-8-13(18)9-15(19)20-14/h1-6,8-9,16,18H,7H2
           C1(=O)(OC(=CC(O)=C1)CC(=O)C=Cc2(ccc(O)cc2))
CPD-6956              InChI=1/C13H10O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-8,14-15H
           C1(=O)(OC(=CC(O)=C1)C=Cc2(ccc(O)cc2))
CPD-6958              InChI=1/C20H22O8/c21-10-16-17(24)18(25)19(26)20(28-16)27-15-8-12(7-14(23)9-15)2-1-11-3-5-13(2
           C1(C(O)C(O)C(O)C(O1)CO)Oc2(cc(cc(O)c2)C=Cc3(ccc(O)cc3))
CPD-6959              InChI=1/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3
           c1(c(cc(OC)cc1OC)C=Cc2(ccc(O)cc2))
CPD-696               InChI=1/C31H52O/c1-20(2)21(3)9-10-22(4)23-13-15-29(8)25-12-11-24-27(5,6)26(32)14-16-30(24)19-3
           CC(C)C(=C)CCC(C)C1(C5(C)(C(C)(CC1)C2(C4(C3([CH](CC2)C(C)(C)C(O)CC3)(C4))(CC5))))
CPD-6960              InChI=1/C28H22O6/c29-20-7-2-16(3-8-20)1-4-18-11-24(33)15-25-26(18)27(19-12-22(31)14-23(32)13-
           c1(cc(ccc(O)1)C=Cc4(c3(C(c2(cc(O)cc(O)c2))C(Oc3cc(O)c4)c5(ccc(O)cc5))))
CPD-6961              InChI=1/C42H30O9/c43-22-7-1-19(2-8-22)40-37-28-13-25(46)17-32-35(28)39(42(50-32)21-5-11-24(45
           C79(c2(c1(C([CH](Oc1cc(c2)O)c3(ccc(O)cc3))c5(c4(C([CH](Oc4cc(O)c5)c6(ccc(O)cc6))c8(c7c(cc(c8)O)O[CH]9c10(ccc
CPD-6962              InChI=1/C6H5NO4/c8-4-2-1-3(6(10)11)5(9)7-4/h1-2H,(H,10,11)(H2,7,8,9)
           C(=O)(O)c1(c(O)nc(O)cc1)
CPD-6963              InChI=1/C14H14O2/c15-13-8-12(9-14(16)10-13)7-6-11-4-2-1-3-5-11/h1-5,8-10,15-16H,6-7H2
           c1(c(cc(O)cc(O)1)CCc2(ccccc2))
CPD-6964              InChI=1/C15H14O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-11,16H,1H3
           c1(c(cc(OC)cc(O)1)C=Cc2(ccccc2))
CPD-6965              InChI=1/C15H16O2/c1-17-15-10-13(9-14(16)11-15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,7-8H2,1H3
           c1(c(cc(OC)cc(O)1)CCc2(ccccc2))
CPD-6966              InChI=1/C19H32Cl2P/c1-4-7-12-22(13-8-5-2,14-9-6-3)16-17-10-11-18(20)15-19(17)21/h10-11,15H,4-9
           CCCC[P+1](CCCC)(CCCC)Cc1(c(Cl)cc(Cl)cc1)
CPD-6967              InChI=1/C19H31N2O2/c1-14(2)16-13-17(21(4,5)6)15(3)12-18(16)23-19(22)20-10-8-7-9-11-20/h12-14H
           Cc1(cc(c(C(C)C)cc1[N+1](C)(C)C)OC(=O)N2(CCCCC2))
CPD-6968              InChI=1/C5H13ClN/c1-7(2,3)5-4-6/h4-5H2,1-3H3/q+1
           C(CCl)[N+1](C)(C)C
CPD-6969              InChI=1/C15H16N2O2/c1-19-14-6-4-12(5-7-14)15(18,11-2-3-11)13-8-16-10-17-9-13/h4-11,18H,2-3H2
           c1(c(cncn1)C(C2(CC2))(O)c3(ccc(cc3)OC))
CPD-697               InChI=1/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-
           CC(C)C(C)C(O)C(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](C(=O)OC3)CC(O)C(O)C4)(C))))
CPD-6970              InChI=1/C15H20ClN3O/c1-15(2,3)14(20)13(19-10-17-9-18-19)8-11-4-6-12(16)7-5-11/h4-7,9-10,13-14,
           CC(C)(C)C(O)C(n1(ncnc1))Cc2(ccc(Cl)cc2)
CPD-6971              InChI=1/C20H26O4/c1-11-8-20-9-12(11)4-5-13(20)19-7-3-6-18(2,17(23)24-10-19)15(19)14(20)16(21)2
           CC12([CH]3(C(CCC1)(COC(=O)2)[CH]5(C4(C3C(=O)O)(CC(C(=C)C4)CC5))))
CPD-6972              InChI=1/C32H44N7O20P3S/c1-31(2,26(44)29(45)34-11-10-21(41)38-16-63-22(42)9-8-19(40)17-6-4-5-7
           C(=O)(O)c1(c(cccc1)C(=O)CCC(=O)SCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OCC2(OC(C)(C(O)C2OP(O)(
CPD-6974              InChI=1/C20H26O5/c1-10-7-20-8-11(10)3-4-12(20)19-6-5-13(21)18(2,17(24)25-9-19)15(19)14(20)16(2
           CC12([CH]3(C(CCC(O)1)(COC(=O)2)[CH]5(C4(C3C(=O)O)(CC(C(=C)C4)CC5))))
CPD-6975              InChI=1/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22
           C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(C(O)C=C3)(C)[CH]4C5C(=O)O))))
CPD-6976              InChI=1/C18H16O6/c19-14-6-1-12(2-7-14)5-10-17(21)24-16(18(22)23)11-13-3-8-15(20)9-4-13/h1-10,1
           C(C=Cc1(ccc(O)cc1))(=O)O[CH](C(O)=O)Cc2(ccc(O)cc2)
CPD-6977              InChI=1/C9H10O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8,10-11H,5H2,(H,12,13)
           C(=O)(O)[CH](O)Cc1(ccc(O)cc1)
CPD-6978              InChI=1/C18H16O7/c19-13-5-1-11(2-6-13)4-8-17(22)25-16(18(23)24)10-12-3-7-14(20)15(21)9-12/h1-9
           C(C=Cc1(ccc(O)cc1))(=O)O[CH](C(O)=O)Cc2(cc(O)c(O)cc2)
CPD-6979              InChI=1/C18H16O7/c19-13-5-1-12(2-6-13)10-16(18(23)24)25-17(22)8-4-11-3-7-14(20)15(21)9-11/h1-9
           C(C=Cc1(ccc(O)c(O)c1))(=O)O[CH](C(O)=O)Cc2(ccc(O)cc2)
CPD-698               InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
           CC(C)C(C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(CC3)=CC(=O)CC4)(C))))
CPD-6981              InChI=1/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h
           C(C=Cc1(ccc(O)c(O)c1))(=O)O[CH](C(O)=O)Cc2(cc(O)c(O)cc2)
CPD-6982              InChI=1/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)
           C(=O)(O)[CH](O)Cc1(ccc(O)c(O)c1)
CPD-6983              InChI=1/C19H22O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h
           C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(CC=C3)(C)[CH]4C5C(=O)O))))
CPD-6984              InChI=1/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22
           C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(CC(O)C3)(C)[CH]4C5C(=O)O))))
CPD-6989              InChI=1/C13H10O5/c14-9-6-10(18-13(17)7-9)3-1-8-2-4-11(15)12(16)5-8/h1-7,14-16H
           C1(=O)(OC(=CC(=C1)O)C=Cc2(ccc(O)c(c2)O))
CPD-6991              InChI=1/C15H12O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-7,13,16-17H,8H2
           c3(c2(OC(c1(ccccc1))CC(=O)c2c(O)cc(O)3))
CPD-6992              InChI=1/C15H12O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,14-17,19H
           c3(c2(OC(c1(ccccc1))C(O)C(=O)c2c(O)cc(O)3))
CPD-6993              InChI=1/C15H12O4/c16-11-8-13(18)15(14(19)9-11)12(17)7-6-10-4-2-1-3-5-10/h1-9,16,18-19H
           c1(c(O)c(c(O)cc(O)1)C(=O)C=Cc2(ccccc2))
CPD-6994              InChI=1/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,
           c3(c2(OC(c1(ccc(O)c(O)c1))CC(=O)c2c(O)cc(O)3))
CPD-6995              InChI=1/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2
           C(O)[CH](O)[CH](O)CO
CPD-6996              InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)14-6-11(17)10-5-12(18)13(19)7-15(10)20-14/h1-5,7,14,16,18-1
           c3(c2(OC(c1(ccc(O)cc1))CC(=O)c2cc(O)c(O)3))
CPD-6997              InChI=1/C15H12O6/c16-8-3-1-7(2-4-8)13-14(19)9-5-10(17)11(18)6-12(9)21-15(13)20/h1-6,13,15-18,2
           C2(C(c1(ccc(O)cc1))C(=O)c3(c(O2)cc(O)c(O)c3))(O)
CPD-6998              InChI=1/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-14-6-13(18)12(17)5-10(14)15(11)19/h1-7,16-18H
           C2(=C(c1(ccc(O)cc1))C(=O)c3(c(O2)cc(O)c(c3)O))
CPD-7                 InChI=1/4Fe.4S
           [Fe]25(S4([Fe]1(S3([Fe](S12)S([Fe]34)5))))
CPD-70                InChI=1/C8H18NO9P/c1-4(9)8(13)18-6(3-17-19(14,15)16)7(12)5(11)2-10/h4-7,10-12H,2-3,9H2,1H3,(H
           C(OP(O)(O)=O)C(C(O)C(O)CO)OC(=O)C(N)C
CPD-700               InChI=1/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
           CC(C)C(=C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC=3)CC(O)CC4)(C))))
CPD-7000   CC(C)C=O InChI=1/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
CPD-7002              InChI=1/C20H38O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22
           CC(C)=CCCC(C)=CCCC(C)CCCC(C)=CCOP(O)(=O)OP(=O)(O)O
CPD-7003              InChI=1/C20H40O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22
           CC(C)=CCCC(C)CCCC(C)CCCC(C)=CCOP(O)(=O)OP(=O)(O)O
CPD-7004              InChI=1/C55H69N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33
           CC(CCCC(C)CCC=C(C)CCC=C(C)C)=CCOC(=O)CCC6(C4(C1(C(C(=O)OC)C(=O)c2(c(C)c7(n(c=12)[Mg]58(n3(c(c(C=C)c(C)
CPD-7005              InChI=1/C55H67N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33
           CC(CCC=C(C)CCC=C(C)CCC=C(C)C)=CCOC(=O)CCC6(C4(C1(C(C(=O)OC)C(=O)c2(c(C)c7(n(c=12)[Mg]58(n3(c(c(C=C)c(C
CPD-7006              InChI=1/C55H71N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33
           CC(CCCC(C)CCCC(C)CCC=C(C)C)=CCOC(=O)CCC6(C4(C1(C(C(=O)OC)C(=O)c2(c(C)c7(n(c=12)[Mg]58(n3(c(c(C=C)c(C)c
CPD-701               InChI=1/C7H7NO2/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3
           CC1(=CC=C([N+1]([O-1])=O)C=C1)
CPD-7013              InChI=1/C55H65N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6
           CCC3(C6(=N2([Mg]57(n1(c(c(C)c(C=C)c1C=C2C=3C=O)C=C4(C(C)C(C(=N45)C9(C(C(=O)OC)C(=O)c8(c(C)c(=C6)n7c8=
CPD-7014              InChI=1/C35H34N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)
           CCC9(C1(=N8([Mg]46(N5(=C(C2(C(C(=O)OC)C(=O)c3(c(C)c(=C1)n(c=23)4)))C(CCC(=O)O)C(C)C5=Cc7(n6c(c(C=C)c(C)
CPD-7015              InChI=1/C35H36N4O6.Mg/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)
           CCC9(C1(=N8([Mg]46(N5(=C(C2(C(C(=O)OC)C(=O)c3(c(C)c(=C1)n(c=23)4)))C(CCC(=O)O)C(C)C5=Cc7(n6c(c(C=C)c(C)
CPD-7016              InChI=1/C55H73N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6
           CC(CCCC(C)CCCC(C)CCCC(C)C)=CCOC(=O)CCC7(C6(C1(C(C(=O)OC)C(=O)c2(c(C)c3(n(c=12)[Mg]59(N4(C(C(CO)=C(CC
CPD-7018              InChI=1/C24H26O13/c25-10-18-20(30)21(31)22(32)24(37-18)36-16-8-12(2-5-14(16)27)9-17(23(33)34)
           C(C=Cc1(ccc(O)c(O)c1))(=O)O[CH](C(O)=O)Cc2(cc(c(O)cc2)OC3(C(O)C(O)C(O)C(O3)CO))
CPD-702               InChI=1/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2
           C(O)C1(=CC=C([N+1]([O-1])=O)C=C1)
CPD-7020   C(C(O)=O)ONInChI=1/C2H5NO3/c3-6-1-2(4)5/h1,3H2,(H,4,5)
CPD-7021              InChI=1/C9H11NO3/c10-13-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
           C(=O)(O)[CH](ON)Cc1(ccccc1)
CPD-7022              InChI=1/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)
           C(=O)(O)[CH](O)Cc1(ccc(O)c(O)c1)
CPD-7023              InChI=1/C14H14N2O/c1-14(2,12-6-4-8-16-10-12)13(17)11-5-3-7-15-9-11/h3-10H,1-2H3
           c1(c(cccn1)C(C)(C)C(=O)c2(cccnc2))
CPD-7024              InChI=1/C7H6O2/c8-6-4-2-1-3-5-7(6)9/h1-5H,(H,8,9)
           c1(=O)(c(O)ccccc1)
CPD-7025              InChI=1/C20H41O4P/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-24-25(21,22)23/h15,17-1
           CC(=CCOP(=O)(O)O)CCCC(C)CCCC(C)CCCC(C)C
CPD-7026              InChI=1/C17H14O5/c1-20-11-5-3-10(4-6-11)13-9-22-15-8-14(18)16(21-2)7-12(15)17(13)19/h3-9,18H,1
           C3(=C(c1(ccc(cc1)OC))C(=O)c2(cc(OC)c(O)cc2O3))
CPD-7027              InChI=1/C16H12O5/c1-20-15-6-11-14(7-13(15)18)21-8-12(16(11)19)9-2-4-10(17)5-3-9/h2-8,17,19H,1H
           C2(=C(c1(ccc(O)cc1))C(O)=C3(C=C(OC)C(=O)C=C(O2)3))
CPD-7028              InChI=1/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2
           c1(c2(c(c(O)cc1OC)C(=O)CC(O2)c3(ccccc3)))
CPD-703               InChI=1/C7H5NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H
           C(=O)C1(=CC=C([N+1]([O-1])=O)C=C1)
CPD-7030              InChI=1/C6H10O3/c1-4(2)5(7)3-6(8)9/h4H,3H2,1-2H3,(H,8,9)
           CC(C)C(=O)CC(=O)O
CPD-7031              InChI=1/C5H10O/c1-5(2)3-4-6/h4-5H,3H2,1-2H3
           CC(C)C[CH]=O
CPD-7032   CC(C)CCO InChI=1/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3
CPD-7033   CCC(C)CO InChI=1/C5H12O/c1-3-5(2)4-6/h5-6H,3-4H2,1-2H3
CPD-7034              InChI=1/C16H10O5/c17-10-7-11-13(16-15(10)19-8-20-16)14(18)12(21-11)6-9-4-2-1-3-5-9/h1-7,17H,8H
           C2(=Cc1(ccccc1))(C(=O)C4(C(O2)=CC(O)=C3(OCOC3=4)))
CPD-7035              InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
           C(O)Cc1(ccccc1)
CPD-7036   C(SC)CC=O InChI=1/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
CPD-7037   C(SC)CCO InChI=1/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
CPD-7038              InChI=1/C2H6O3S/c1-5-6(2,3)4/h1-2H3
           CS(=O)(=O)OC
CPD-704               InChI=1/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
           C(O)(=O)C1(=CC=C(C=C1)[N+1]([O-1])=O)
CPD-7046   [S-2]      InChI=1/H2S/h1H2/q-2
CPD-705               InChI=1/C7H7NO3/c9-7(10)5-1-3-6(8-11)4-2-5/h1-4,8,11H,(H,9,10)
           C(=O)(O)c1(ccc(NO)cc1)
CPD-7050              InChI=1/C7H5NO4/c9-6(10)4-1-2-8-5(3-4)7(11)12/h1-3H,(H,9,10)(H,11,12)
           c1(cc(C(=O)O)cc(n1)C(O)=O)
CPD-7051              InChI=1/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)2
           C(CCN1(CCN(C)CC1))N3(c2(c(cccc2)Sc4(c3cc(C(F)(F)F)cc4)))
CPD-7057              InChI=1/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2
           C(=O)(O)C(N)Cc1(cc(I)c(c(I)c1)Oc2(cc(I)c(O)c(I)c2))
CPD-7058              InChI=1/C9H13AsO3/c1-8(11)7-10(12,13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3,(H,12,13)
           C(C(C)O)[As](O)(=O)c1(ccccc1)
CPD-7059              InChI=1/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6
           C1(OC(C(O)C(O)C(O)1)COC2(C(O)C(O)C(O)C(C)O2))Oc4(cc(O)c3(C(=O)C[CH](Oc3c4)c5(ccc(O)cc5)))
CPD-706               InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
           CC(C)C(=C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC3)CC(O)CC4)(C))))
CPD-7061              InChI=1/C35H36N4O5/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34
           CCC6(=C(C)C5(=Cc1(nc(c(C)c1C=C)C=C2(N=C(C(C(C)2)CCC(=O)O)C3(C(C(=O)OC)C(=O)c4(c(C)c(nc=34)=CC(=N5)6)))))
CPD-7062              InChI=1/C35H34N4O6/c1-7-18-15(3)22-11-23-16(4)20(9-10-28(41)42)32(38-23)30-31(35(44)45-6)34(4
           CCC6(=C(C=O)C5(=Cc1(nc(c(C)c1C=C)C=C2(N=C(C(C(C)2)CCC(=O)O)C3(C(C(=O)OC)C(=O)c4(c(C)c(nc=34)=CC(=N5)6)
CPD-7063              InChI=1/C35H38N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(4
           CCc1(c(nc([CH]=O)c(C)1)Cc2(c(C)c3(c(n2)C(C(C(=O)3)C(=O)OC)=C4(N=C(C(C)C4CCC(=O)O)C=C5(C(C)=C(C=C)C(=O)N
CPD-7064              InChI=1/C35H40N4O7/c1-8-19-15(3)26(14-40)36-25(19)13-24-18(6)28-32(38-24)29(30(33(28)43)35(4
           CCc1(c(nc([CH]=O)c(C)1)Cc2(c(C)c3(c(n2)C(C(C(=O)3)C(=O)OC)=C4(N=C(C(C)C4CCC(=O)O)CC5(C(C)=C(C=C)C(=O)N5
CPD-7066              InChI=1/C5H8O5/c1-2(4(7)8)3(6)5(9)10/h2-3,6H,1H3,(H,7,8)(H,9,10)
           CC(C(=O)O)C(O)C(=O)O
CPD-7067              InChI=1/C27H34O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14
           C(O)C1(OC(C(C(O)C1O)O[CH]2(C(O)C(O)C(O)C(O2)C))Oc3(cc(O)c(c(c3)O)C(=O)CCc4(ccc(O)cc4)))
CPD-7069              InChI=1/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13
           C2(OC(CO)C(O)C(O)C(O[CH]1(C(O)C(O)C(O)C(C)O1))2)Oc3(cc(O)c(c(c3)O)C(=O)CCc4(cc(O)c(cc4)OC))
CPD-707               InChI=1/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
           CC(C)C(C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(=CC3)CC(O)CC4)(C))))
CPD-7070              InChI=1/C9H11NO5/c11-7-3-1-6(2-4-7)5-8(9(12)13)10(14)15/h1-4,8,11,14-15H,5H2,(H,12,13)
           C(O)(=O)C(N(O)O)Cc1(ccc(O)cc1)
CPD-7071              InChI=1/C16H14O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-6,13,17
           c3(c2(OC(c1(cc(OC)c(O)cc1))CC(=O)c2c(O)cc(O)3))
CPD-7072              InChI=1/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17
           c3(c2(OC(c1(ccc(OC)c(O)c1))CC(=O)c2c(O)cc(O)3))
CPD-7073              InChI=1/C22H24O11/c1-30-14-3-2-9(4-11(14)24)15-7-13(26)18-12(25)5-10(6-16(18)32-15)31-22-21(2
           C1(OC(CO)C(O)C(O)C(O)1)Oc3(cc(O)c2(C(=O)CC(Oc2c3)c4(ccc(OC)c(O)c4)))
CPD-7074              InChI=1/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6
           C2(OC(CO)C(O)C(O)C(OC1(C(O)C(O)C(O)C(C)O1))2)Oc4(cc(O)c3(C(=O)CC(Oc3c4)c5(ccc(OC)c(O)c5)))
CPD-7075              InChI=1/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6
           C1(OC(C(O)C(O)C(O)1)COC2(C(O)C(O)C(O)C(C)O2))Oc4(cc(O)c3(C(=O)CC(Oc3c4)c5(ccc(OC)c(O)c5)))
CPD-7076              InChI=1/C5H10O2/c1-3-4(2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
           C(=O)(O)C(C)CC
CPD-7077              InChI=1/C5H8O2/c1-3-4(2)5(6)7/h3H,1-2H3,(H,6,7)
           C(O)(=O)C(C)=CC
CPD-7078              InChI=1/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29
           C(O)C1(OC(C(O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
CPD-7079              InChI=1/C16H14O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-7,14,17-18H
           c1(c2(c(c(O)cc1OC)C(=O)CC(O2)c3(ccc(O)cc3)))
CPD-708               InChI=1/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
           CC(C)C(C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C(CC3)=CC(O)CC4)(C))))
CPD-7080              InChI=1/C16H14O5/c1-20-11-4-2-9(3-5-11)14-8-13(19)16-12(18)6-10(17)7-15(16)21-14/h2-7,14,17-18
           c3(c2(OC(c1(ccc(OC)cc1))CC(=O)c2c(O)cc(O)3))
CPD-7081              InChI=1/C18H25NO4/c1-3-10-7-13-12(5-6-15(13)20)14(8-10)16(21)19-18(17(22)23)9-11(18)4-2/h8,10
           CCC1(C=C([CH]2([CH](C1)C(=O)CC2))C(=O)NC3(C(C3)CC)(C(O)=O))
CPD-7082   [C-1]#N    InChI=1/CN/c1-2/q-1
CPD-7084              InChI=1/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
           c1(ccc(cc1)N=C(N)S)
CPD-7086              InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H
           CC4([CH]2(C13([CH](OC(OO1)(C)CC2)OC(=O)C(C)[CH]3CC4)))
CPD-7087              InChI=1/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-2
           c3(c2(OC(c1(cc(O)c(O)c(O)c1))C(O)C(=O)c2c(O)cc(O)3))
CPD-7088              InChI=1/C15H14O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,13-2
           c3(c2(OC(c1(cc(O)c(O)c(O)c1))C(O)C(O)c2c(O)cc(O)3))
CPD-709               InChI=1/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
           CC(C)C(C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](CC3)CC(=O)CC4)(C))))
CPD-7090              InChI=1/C15H11O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-5,16-21H
           c3(c2(O=C(c1(cc(O)c(O)c(O)c1))C(O)=Cc2c(O)cc(O)3))
CPD-7092              InChI=1/C20H26O3/c1-5-18(2)8-6-13-12(11-18)10-14-16-19(13,3)9-7-15(21)20(16,4)17(22)23-14/h5,1
           CC14([CH]3(C(CCC(=O)1)(C)[CH]2(C(CC(C=C)(C)CC2)=C[CH]3OC(=O)4)))
CPD-7093              InChI=1/C20H30O2/c1-6-19(4)9-7-14-13(12-19)15(21)11-16-18(2,3)17(22)8-10-20(14,16)5/h6,12,14,1
           CC1([CH]2(C(CCC(O)1)(C)[CH]3(C(C(=O)C2)=CC(C=C)(C)CC3)))(C)
CPD-7094              InChI=1/C20H28O3/c1-6-12-9-14(21)17-13(11(12)2)7-8-16-19(3,4)18(23)15(22)10-20(16,17)5/h6,9,11
           CC1(C2(C(CC(O)C(=O)1)(C)C3([CH](CC2)C(C)C(C=C)=CC(=O)3)))(C)
CPD-7095              InChI=1/C21H29NO4/c1-2-3-5-10-18-17(11-12-20(18)23)13-14-26-22-19(21(24)25)15-16-8-6-4-7-9-16
           C(ON[CH](C(O)=O)Cc1(ccccc1))CC2(C(C(=O)CC2)CC=CCC)
CPD-7096              InChI=1/C15H11O4/c16-10-3-1-9(2-4-10)14-6-5-12-13(18)7-11(17)8-15(12)19-14/h1-8,16-18H
           c3(c2(O=C(c1(ccc(O)cc1))C=Cc2c(O)cc(O)3))
CPD-7097              InChI=1/C20H32/c1-6-19(4)13-10-16-15(14-19)8-9-17-18(2,3)11-7-12-20(16,17)5/h6,14,16-17H,1,7-13
           CC1([CH]2(C(CCC1)(C)[CH]3(C(CC2)=CC(C)(C=C)CC3)))(C)
CPD-7099              InChI=1/C15H23NO4/c1-8-3-9(2)15(20)11(4-8)12(17)5-10-6-13(18)16-14(19)7-10/h8-12,17H,3-7H2,1-
           C[CH]1(C(=O)[CH](C[CH](C)C1)[CH](O)CC2(CC(=O)NC(=O)C2))
CPD-71                InChI=1/C48H80N7O20P3S/c1-25(29-10-11-30-36-31(20-34(58)48(29,30)6)47(5)14-12-28(56)18-27(47
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C
CPD-710               InChI=1/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
           CC(C)C(C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](CC3)CC(O)CC4)(C))))
CPD-7100              InChI=1/C7H10O5/c1-3(2)4(6(9)10)5(8)7(11)12/h3-4H,1-2H3,(H,9,10)(H,11,12)
           C(=O)(O)C(C(C)C)C(=O)C(O)=O
CPD-7101              InChI=1/C12H14N4O2S/c1-7-10(3-11(17)18)19-6-16(7)5-9-4-14-8(2)15-12(9)13/h4,6H,3,5H2,1-2H3,(H
           Cc1(ncc(c(N)n1)C[n+1]2(c(C)c(sc2)CC(O)=O))
CPD-7102              InChI=1/C10H10N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6,10,15-16H,1H
           C(O)C1(OC(C(=O)C1O)n2(c3(c(nc2)c(=O)[nH]cn3)))
CPD-7104              InChI=1/C10H12O4/c1-5(2)10(14)9-7(12)3-6(11)4-8(9)13/h3-5,11-13H,1-2H3
           CC(C)C(=O)c1(c(O)cc(O)cc(O)1)
CPD-7105              InChI=1/C21H30O4/c1-12(2)7-9-15-19(23)16(10-8-13(3)4)21(25)18(20(15)24)17(22)11-14(5)6/h7-8,14
           CC(C)=CCc1(c(O)c(CC=C(C)C)c(O)c(c(O)1)C(=O)CC(C)C)
CPD-7106              InChI=1/C21H30O5/c1-12(2)7-8-15-18(23)17(16(22)11-14(5)6)20(25)21(26,19(15)24)10-9-13(3)4/h7,9
           CC(C)=CCC1(=C(O)C(O)(CC=C(C)C)C(=O)C(=C(O)1)C(=O)CC(C)C)
CPD-7107              InChI=1/C20H28O4/c1-11(2)7-9-14-18(22)15(10-8-12(3)4)20(24)16(19(14)23)17(21)13(5)6/h7-8,13,22
           CC(C)C(=O)c1(c(O)c(CC=C(C)C)c(O)c(c(O)1)CC=C(C)C)
CPD-7108              InChI=1/C20H28O5/c1-11(2)7-8-14-17(22)15(16(21)13(5)6)19(24)20(25,18(14)23)10-9-12(3)4/h7,9,13
           CC(C)=CCC1(=C(O)C(O)(CC=C(C)C)C(=O)C(=C(O)1)C(=O)C(C)C)
CPD-7109              InChI=1/C16H22O4/c1-9(2)5-6-11-12(17)8-14(19)15(16(11)20)13(18)7-10(3)4/h5,8,10,17,19-20H,6-7H
           CC(C)=CCc1(c(O)c(C(=O)CC(C)C)c(O)cc(O)1)
CPD-711               InChI=1/C28H50O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)
           CC(C)C(C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](C(O)C3)CC(O)CC4)(C))))
CPD-7110              InChI=1/C26H38O4/c1-16(2)9-10-20-23(28)22(21(27)15-19(7)8)25(30)26(24(20)29,13-11-17(3)4)14-12
           CC(C)=CCC1(=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(=C(O)1)C(=O)CC(C)C)
CPD-7111              InChI=1/C25H36O4/c1-15(2)9-10-19-22(27)20(21(26)18(7)8)24(29)25(23(19)28,13-11-16(3)4)14-12-17
           CC(C)=CCC1(=C(O)C(CC=C(C)C)(CC=C(C)C)C(=O)C(=C(O)1)C(=O)C(C)C)
CPD-7113              InChI=1/C18H32O4/c1-2-3-4-5-6-7-8-10-13-16(19)17(20)14-11-9-12-15-18(21)22/h6-7,10,13,16-17,19
           CCCCCC=CCC=CC(O)C(O)CCCCCC(O)=O
CPD-7114              InChI=1/C18H32O4/c1-2-3-4-8-11-14-17(22-21)15-12-9-6-5-7-10-13-16-18(19)20/h11-12,14-15,17,21H
           CCCCCC=CC(OO)C=CCCCCCCCC(O)=O
CPD-7115              InChI=1/C20H28O4/c1-12(2)7-9-16-19(23)15(18(22)14(5)6)11-20(16,24)17(21)10-8-13(3)4/h7-8,11,14
           CC(C)=CCC1(C(O)(C(=O)CC=C(C)C)C=C(C(=O)1)C(=O)C(C)C)
CPD-7116              InChI=1/C21H30O4/c1-13(2)7-9-17-20(24)16(18(22)11-15(5)6)12-21(17,25)19(23)10-8-14(3)4/h7-8,12
           CC(C)=CCC1(C(O)(C(=O)CC=C(C)C)C=C(C(=O)1)C(=O)CC(C)C)
CPD-7117              InChI=1/C21H21O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)
           C1(OC(CO)C(O)C(O)C(O)1)OC3(C(c2(cc(O)c(O)c(O)c2))=Oc4(c(C=3)c(O)cc(O)c4))
CPD-7118              InChI=1/C7H8O4/c8-5-3-1-2-4-7(5,11)6(9)10/h1-5,8,11H,(H,9,10)
           C(=O)(O)C1(O)([CH](O)C=CC=C1)
CPD-7119              InChI=1/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h
           CC(C)=CCc1(c(O)c(c(OC)cc(O)1)C(=O)C=Cc2(ccc(O)cc2))
CPD-712               InChI=1/C28H50O2/c1-17(2)18(3)15-26(30)19(4)23-9-10-24-22-8-7-20-16-21(29)11-13-27(20,5)25(22)
           CC(C)C(C)CC(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](CC3)CC(O)CC4)(C))))
CPD-7120              InChI=1/C20H20O5/c1-12(2)3-9-15-17(23)11-18(24)19(20(15)25)16(22)10-6-13-4-7-14(21)8-5-13/h3-8
           CC(C)=CCc1(c(O)c(c(O)cc(O)1)C(=O)C=Cc2(ccc(O)cc2))
CPD-7121              InChI=1/C21H22O5/c1-13(2)4-10-16-19(26-3)12-18(24)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h
           CC(C)=CCc1(c(O)c(c(O)cc1OC)C(=O)C=Cc2(ccc(O)cc2))
CPD-7122              InChI=1/C22H24O5/c1-14(2)5-11-17-19(26-3)13-20(27-4)21(22(17)25)18(24)12-8-15-6-9-16(23)10-7-1
           CC(C)=CCc1(c(O)c(c(OC)cc1OC)C(=O)C=Cc2(ccc(O)cc2))
CPD-7123              InChI=1/C25H28O5/c1-16(2)5-4-6-17(3)7-13-20-22(28)15-23(29)24(25(20)30)21(27)14-10-18-8-11-19
           CC(CCC=C(C)C)=CCc1(c(O)c(c(O)cc(O)1)C(=O)C=Cc2(ccc(O)cc2))
CPD-7124              InChI=1/C25H28O5/c1-15(2)5-12-19-23(28)20(13-6-16(3)4)25(30)22(24(19)29)21(27)14-9-17-7-10-18
           CC(C)=CCc1(c(O)c(c(O)c(c(O)1)CC=C(C)C)C(=O)C=Cc2(ccc(O)cc2))
CPD-7125              InChI=1/C26H30O5/c1-16(2)6-13-20-24(29)21(14-7-17(3)4)26(31-5)23(25(20)30)22(28)15-10-18-8-11
           CC(C)=CCc1(c(O)c(c(OC)c(c(O)1)CC=C(C)C)C(=O)C=Cc2(ccc(O)cc2))
CPD-7126              InChI=1/C17H16O5/c1-21-13-9-15(20)17(16(10-13)22-2)14(19)8-5-11-3-6-12(18)7-4-11/h3-10,18,20H
           c1(c(OC)c(c(O)cc1OC)C(=O)C=Cc2(ccc(O)cc2))
CPD-7127              InChI=1/C21H22O6/c1-21(2)18(24)10-14-16(27-21)11-17(26-3)19(20(14)25)15(23)9-6-12-4-7-13(22)8
           CC1(Oc2(c(CC(O)1)c(O)c(c(c2)OC)C(=O)C=Cc3(ccc(O)cc3)))(C)
CPD-7128              InChI=1/C21H20O5/c1-21(2)11-10-15-17(26-21)12-18(25-3)19(20(15)24)16(23)9-6-13-4-7-14(22)8-5-1
           CC1(Oc2(c(C=C1)c(O)c(c(c2)OC)C(=O)C=Cc3(ccc(O)cc3)))(C)
CPD-7129              InChI=1/C21H22O6/c1-12(2)17(24)10-15-18(25)11-19(27-3)20(21(15)26)16(23)9-6-13-4-7-14(22)8-5-1
           CC(=C)C(O)Cc1(c(O)c(c(OC)cc(O)1)C(=O)C=Cc2(ccc(O)cc2))
CPD-713               InChI=1/C28H48O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)
           CC(C)C(C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](C(=O)C3)CC(O)CC4)(C))))
CPD-7130              InChI=1/C25H26O5/c1-15(2)5-11-18-22(28)19-13-14-25(3,4)30-24(19)21(23(18)29)20(27)12-8-16-6-9-
           CC(C)=CCc1(c(O)c(c2(c(c(O)1)C=CC(C)(C)O2))C(=O)C=Cc3(ccc(O)cc3))
CPD-7131              InChI=1/C21H24O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h
           CC(C)=CCc1(c(O)c(c(OC)cc(O)1)C(=O)CCc2(ccc(O)cc2))
CPD-7132              InChI=1/C21H22O6/c1-21(2)11-15(24)19-17(27-21)10-16(26-3)18(20(19)25)14(23)9-6-12-4-7-13(22)8
           CC1(Oc2(c(C(O)C1)c(O)c(c(c2)OC)C(=O)C=Cc3(ccc(O)cc3)))(C)
CPD-7133              InChI=1/C20H20O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h
           CC(C)=CCc3(c2(OC(c1(ccc(O)cc1))CC(=O)c2c(O)cc(O)3))
CPD-7134              InChI=1/C21H22O5/c1-12(2)4-9-15-16(23)10-19(25-3)20-17(24)11-18(26-21(15)20)13-5-7-14(22)8-6-1
           CC(C)=CCc3(c2(OC(c1(ccc(O)cc1))CC(=O)c2c(OC)cc(O)3))
CPD-7135              InChI=1/C20H20O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h
           CC(C)=CCc1(c(O)c2(c(cc(O)1)OC(CC(=O)2)c3(ccc(O)cc3)))
CPD-7137              InChI=1/C27H31O15/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)
           C1(OC(CO)C(O)C(O)C(O)1)OC3(C(c2(ccc(O)cc2))=Oc4(c(C=3)c(cc(O)c4)OC5(OC(CO)C(O)C(O)C(O)5)))
CPD-7138              InChI=1/C27H31O16/c28-7-17-19(33)21(35)23(37)26(42-17)40-15-5-10(30)4-14-11(15)6-16(25(39-14)
           C1(OC(CO)C(O)C(O)C(O)1)OC3(C(c2(ccc(O)c(O)c2))=Oc4(c(C=3)c(cc(O)c4)OC5(OC(CO)C(O)C(O)C(O)5)))
CPD-7139              InChI=1/C27H31O17/c28-6-16-19(34)21(36)23(38)26(43-16)41-14-4-9(30)3-13-10(14)5-15(25(40-13)8
           C1(OC(CO)C(O)C(O)C(O)1)OC3(C(c2(cc(O)c(O)c(O)c2))=Oc4(c(C=3)c(cc(O)c4)OC5(OC(CO)C(O)C(O)C(O)5)))
CPD-714               InChI=1/C28H48O3/c1-16(2)17(3)13-25(30)18(4)21-7-8-22-20-15-26(31)24-14-19(29)9-11-28(24,6)23(
           CC(C)C(C)CC(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](C(=O)C3)CC(O)CC4)(C))))
CPD-7140              InChI=1/C36H37O18/c37-13-25-28(43)30(45)32(47)35(53-25)51-23-11-18(39)10-22-19(23)12-24(34(5
           C1(OC(C(O)C(O)C(O)1)COC(=O)C=Cc2(ccc(O)c(O)c2))OC4(C(c3(ccc(O)cc3))=Oc5(c(C=4)c(cc(O)c5)OC6(OC(CO)C(O)C
CPD-7141              InChI=1/C39H39O21/c40-18-5-3-17(4-6-18)37-25(58-39-36(53)34(51)31(48)26(60-39)14-54-29(46)8-2
           C1(OC(C(O)C(O)C(O)1)COC(=O)C=Cc2(ccc(O)c(O)c2))OC4(C(c3(ccc(O)cc3))=Oc5(c(C=4)c(cc(O)c5)OC6(OC(C(O)C(O)C
CPD-7142              InChI=1/C42H41O24/c43-19-5-3-18(4-6-19)39-26(63-41-37(57)35(55)34(54)27(64-41)15-59-31(51)8-2
           C1(OC(C(O)C(O)C(O)1)COC(=O)C=Cc2(ccc(O)c(O)c2))OC4(C(c3(ccc(O)cc3))=Oc5(c(C=4)c(cc(O)c5)OC6(OC(COC(=O)C
CPD-7143              InChI=1/C27H31O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-1
           C1(OC(C(O)C(O)C(O)1)COC2(C(O)C(O)C(O)C(C)O2))OC4(C(c3(ccc(O)c(O)c3))=Oc5(c(C=4)c(O)cc(O)c5))
CPD-7144              InChI=1/C27H31O14/c1-10-19(31)21(33)23(35)26(38-10)37-9-18-20(32)22(34)24(36)27(41-18)40-17-8
           C1(OC(C(O)C(O)C(O)1)COC2(C(O)C(O)C(O)C(C)O2))OC4(C(c3(ccc(O)cc3))=Oc5(c(C=4)c(O)cc(O)c5))
CPD-7145              InChI=1/C27H31O16/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-1
           C1(OC(C(O)C(O)C(O)1)COC2(C(O)C(O)C(O)C(C)O2))OC4(C(c3(cc(O)c(O)c(O)c3))=Oc5(c(C=4)c(O)cc(O)c5))
CPD-7146              InChI=1/C9H12O3/c1-6(2)3-8-4-7(10)5-9(11)12-8/h4-6,10H,3H2,1-2H3
           c1(oc(CC(C)C)cc(O)c1)(=O)
CPD-7147              InChI=1/C11H14O4/c1-7(2)3-8(12)4-10-5-9(13)6-11(14)15-10/h5-7,13H,3-4H2,1-2H3
           c1(oc(cc(O)c1)CC(=O)CC(C)C)(=O)
CPD-7148              InChI=1/C33H41O19/c1-11-21(37)24(40)27(43)31(47-11)46-10-20-23(39)26(42)29(45)33(52-20)50-18
           C1(OC(C(O)C(O)C(O)1)COC2(C(O)C(O)C(O)C(C)O2))OC4(C(c3(ccc(O)cc3))=Oc5(c(C=4)c(cc(O)c5)OC6(OC(CO)C(O)C(O
CPD-7149              InChI=1/C24H23O13/c25-11-3-1-10(2-4-11)23-16(7-13-14(27)5-12(26)6-15(13)35-23)36-24-22(33)21(
           C1(OC(C(O)C(O)C(O)1)COC(=O)CC(O)=O)OC3(C(c2(ccc(O)cc2))=Oc4(c(C=3)c(O)cc(O)c4))
CPD-715               InChI=1/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(
           CC(C)C(C)C(O)C(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](CC3)CC(O)CC4)(C))))
CPD-7150              InChI=1/C36H37O18/c37-13-25-28(43)30(45)32(47)36(53-25)52-24-12-19-22(50-34(24)16-3-5-17(38)6
           C1(OC(C(O)C(O)C(O)1)COC(=O)C=Cc2(ccc(O)c(O)c2))Oc4(c3(C=C(C(=Oc3cc(O)c4)c5(ccc(O)cc5))OC6(OC(CO)C(O)C(O
CPD-7151              InChI=1/C36H37O17/c37-14-25-28(42)30(44)32(46)36(52-25)51-24-13-21-22(49-34(24)17-4-8-19(39)9
           C1(OC(C(O)C(O)C(O)1)COC(=O)C=Cc2(ccc(O)cc2))Oc4(c3(C=C(C(=Oc3cc(O)c4)c5(ccc(O)cc5))OC6(OC(CO)C(O)C(O)C
CPD-7157              InChI=1/C19H14O6/c1-21-10-4-3-5-11-15(10)17(20)16-12(22-2)8-13-14(18(16)24-11)9-6-7-23-19(9)25
           C1(=CC2(c4(c(OC(O1)2)cc(OC)c5(c(=O)c3(c(OC)cccc3oc45)))))
CPD-7158              InChI=1/C53H80O4/c1-39(2)21-13-22-40(3)23-14-24-41(4)25-15-26-42(5)27-16-28-43(6)29-17-30-44(
           CC(=CCC1(C(=O)C(O)=C(OC)C(=O)C=1C))CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C
CPD-716               InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)
           CC(C)C(C)C(O)C(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](C(=O)C3)CC(O)CC4)(C))))
CPD-7164              InChI=1/C22H26N2O3/c1-4-21-8-5-10-24-11-9-22(20(21)24)16-7-6-14(26-2)12-17(16)23-18(22)15(13-
           CCC13(CC(C(=O)OC)=C4(C2(CCN([CH]12)CC=C3)c5(c([NH]4)cc(OC)cc5)))
CPD-7165              InChI=1/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)
           CCCCCc1(c(C(=O)O)c(O)cc(O)c1)
CPD-7166              InChI=1/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,1
           CCCCCc1(c(C(=O)O)c(O)c(c(O)c1)CC=C(C)CCC=C(C)C)
CPD-7167              InChI=1/C7H16N3O8P/c8-7(9)10-1-2(11)4(13)6(5(14)3(1)12)18-19(15,16)17/h1-6,11-14H,(H4,8,9,10)(
           C(=N)([N+1])NC1(C(O)C(O)C(C(O)C1O)OP(O)(O)=O)
CPD-7168              InChI=1/C7H15N3O5/c8-7(9)10-1-2(11)4(13)6(15)5(14)3(1)12/h1-6,11-15H,(H4,8,9,10)
           C(=N)(N)NC1(C(O)C(O)C(O)C(O)C1O)
CPD-7169              InChI=1/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-1
           CCCCCc1(c(C(=O)O)c(O)c2(c(c1)OC(C)(C)C3(C2C=C(C)CC3)))
CPD-717               InChI=1/C28H48O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(
           CC(C)C(C)C(O)C(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](CC3)CC(=O)CC4)(C))))
CPD-7170              InChI=1/C22H30O4/c1-5-6-7-8-15-12-18(23)20(21(24)19(15)22(25)26)17-11-14(4)9-10-16(17)13(2)3/h
           CCCCCc1(c(C(=O)O)c(O)c(c(O)c1)C2(C(C(=C)C)CCC(C)=C2))
CPD-7171              InChI=1/C22H30O4/c1-5-6-7-10-16-14-18-17(20(23)19(16)21(24)25)11-13-22(4,26-18)12-8-9-15(2)3/h
           CCCCCc1(c(C(=O)O)c(O)c2(c(c1)OC(C=C2)(C)CCC=C(C)C))
CPD-7172              InChI=1/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13
           CCCCCc1(cc(O)c2(c(c1)OC(C)(C)C3(C2C=C(C)CC3)))
CPD-7173              InChI=1/C21H30O2/c1-5-6-7-8-16-12-19(22)21(20(23)13-16)18-11-15(4)9-10-17(18)14(2)3/h11-13,17
           CCCCCc1(cc(O)c(c(O)c1)C2(C(C(=C)C)CCC(C)=C2))
CPD-7174              InChI=1/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-1
           CCCCCc1(cc(O)c2(c(c1)OC(C=C2)(C)CCC=C(C)C))
CPD-7175              InChI=1/C22H32O4/c1-5-6-7-11-17-14-19(23)18(21(24)20(17)22(25)26)13-12-16(4)10-8-9-15(2)3/h9,1
           CCCCCc1(c(C(=O)O)c(O)c(c(O)c1)CC=C(C)CCC=C(C)C)
CPD-718               InChI=1/C28H46O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)
           CC(C)C(C)C(O)C(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](C(=O)C3)CC(=O)CC4)(C))))
CPD-7189              InChI=1/C27H46O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-
           CC(C)CCC(O)C(C)C1(C2(C(CC1)C3(C(CC2)C4(C(=CC3)CC(O)CC4)(C)))(C))
CPD-719               InChI=1/C28H48O4/c1-15(2)16(3)25(31)26(32)17(4)20-7-8-21-19-14-24(30)23-13-18(29)9-11-28(23,6)
           CC(C)C(C)C(O)C(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](C(=O)C3)CC(O)CC4)(C))))
CPD-7190              InChI=1/C29H50O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(
           CC(C)C(CC)CC(O)C(C)C1(C2(C(CC1)C3(C(CC2)C4(C)(C(=CC3)CC(O)CC4)))(C))
CPD-7191              InChI=1/C29H48O2/c1-7-20(18(2)3)16-27(31)19(4)24-10-11-25-23-9-8-21-17-22(30)12-14-28(21,5)26(
           CC(C)C(=CC)CC(O)C(C)C1(C2(C(CC1)C3(C(CC2)C4(C)(C(=CC3)CC(O)CC4)))(C))
CPD-7192              InChI=1/C27H48O2/c1-17(2)6-11-25(29)18(3)22-9-10-23-21-8-7-19-16-20(28)12-14-26(19,4)24(21)13-
           CC(C)CCC(O)C(C)C1(C2(C(CC1)C3(C(CC2)C4([CH](CC3)CC(O)CC4)(C)))(C))
CPD-7193              InChI=1/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-2
           CC(C)CCCC(C)C1(C2(C(CC1)C3(C(CC2)C4([CH](CC3)CC(O)CC4)(C)))(C))
CPD-7196              InChI=1/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30
           CC2(C1(C(O1)(C)CC(O)C2)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC34(C(C)(C)CC(O)CC(O3)(C)4))(C)
CPD-7197              InChI=1/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-27-25(4,5)19-24(29)20-26
           CC2(C1(C(O1)(C)CC(O)C2)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=O)(C)
CPD-7198              InChI=1/C27H36O3/c1-21(11-7-8-12-22(2)15-10-18-28)13-9-14-23(3)16-17-25-26(4,5)19-24(29)20-27
           CC1(C(C(O)(C)CC(O)C1)=C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=O)(C)
CPD-7199              InChI=1/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-7,11-12,15H,8H2,1-4H3
           CC1(C(C=CC(C)=O)C(C)(C)CC(O)C=1)
CPD-72                InChI=1/C48H80N7O19P3S/c1-26(30-10-11-31-36-32(13-16-48(30,31)6)47(5)15-12-29(56)20-28(47)21
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C
CPD-720               InChI=1/C28H50O3/c1-16(2)17(3)25(30)26(31)18(4)22-9-10-23-21-8-7-19-15-20(29)11-13-27(19,5)24(
           CC(C)C(C)C(O)C(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](CC3)CC(O)CC4)(C))))
CPD-7200              InChI=1/C13H20O2/c1-9-7-11(15)8-13(3,4)12(9)6-5-10(2)14/h5-6,11,15H,7-8H2,1-4H3
           CC1(=C(C=CC(C)=O)C(C)(C)CC(O)C1)
CPD-7201              InChI=1/C13H20O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,10,15-16H,7-8H2,1-4H3
           CC1(C(=C=CC(=O)C)C(O)(C)CC(O)C1)(C)
CPD-7202              InChI=1/C14H16O2/c1-13(9-5-11-15)7-3-4-8-14(2)10-6-12-16/h3-12H,1-2H3
           C(=O)C=CC(C)=CC=CC=C(C)C=CC=O
CPD-7203              InChI=1/C13H20O3/c1-9(14)5-6-13-11(2,3)7-10(15)8-12(13,4)16-13/h5-6,10,15H,7-8H2,1-4H3
           CC2(C1(C(O1)(C)CC(O)C2)(C=CC(C)=O))(C)
CPD-7204              InChI=1/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
           CC1(=C(C=CC(C)=O)C(C)(C)CCC1)
CPD-7206              InChI=1/C30H40O/c1-24(13-8-9-14-25(2)16-11-18-27(4)23-31)15-10-17-26(3)20-21-29-28(5)19-12-22
           CC1(=C(C(C)(C)CCC1)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=O)
CPD-7207              InChI=1/C17H20O2/c1-15(10-6-11-17(3)14-19)8-4-5-9-16(2)12-7-13-18/h4-14H,1-3H3
           C(=O)C=CC(C)=CC=CC=C(C)C=CC=C(C)C=O
CPD-721               InChI=1/C8H8O5/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,9-10H,1H3,(H,11,12)
           C(O)(=O)c1(cc(OC)c(O)c(O)c1)
CPD-7214              InChI=1/C15H12O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-4,12,16-1
           c3(c2(OC(c1(cc(O)c(O)c(O)c1))CC(=O)c2c(O)cc(O)3))
CPD-722               InChI=1/C10H16N2O4S/c13-8(14)4-2-1-3-7-9-6(5-17(7)16)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,
           C1(S(=O)C([CH]2([CH]1NC(N2)=O))CCCCC(O)=O)
CPD-7224              InChI=1/C8H15N3O4/c1-5(12)11-6(7(13)14)3-2-4-10-8(9)15/h6H,2-4H2,1H3,(H,11,12)(H,13,14)(H3,9,1
           C(=O)(O)C(NC(=O)C)CCCNC(N)=O
CPD-723               InChI=1/C28H50O4/c1-15(2)16(3)25(31)26(32)17(4)20-9-10-21-19-8-7-18-13-23(29)24(30)14-28(18,6)
           CC(C)C(C)C(O)C(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](CC3)CC(O)C(O)C4)(C))))
CPD-724               InChI=1/C28H50O5/c1-14(2)15(3)25(32)26(33)16(4)18-7-8-19-17-11-22(29)21-12-23(30)24(31)13-28(
           CC(C)C(C)C(O)C(O)C(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](C(O)C3)CC(O)C(O)C4)(C))))
CPD-725               InChI=1/C18H30O4/c1-2-3-11-14-17(22-21)15-12-9-7-5-4-6-8-10-13-16-18(19)20/h3,7,9,11-12,15,17,2
           CCC=CCC(OO)C=CC=CCCCCCCCC(=O)O
CPD-7272              InChI=1/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1,3,6,10H,2H2,(H,13,14)
           C(O)(=O)C1(C=C2(C(N1)=CC(=O)C(=O)C2))
CPD-7276              InChI=1/C14H23NO18S2/c1-3(17)15-5-9(8(32-34(23,24)25)4(2-16)29-13(5)22)30-14-11(33-35(26,27)2
           CC(=O)NC1(C(C(OS(=O)(=O)O)C(CO)OC(O)1)OC2(C(OS(=O)(=O)O)C(O)C(O)C(O2)C(=O)O))
CPD-728               InChI=1/C18H28O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h3,8,10-11,14,16H,2
           CCC=CCC1(C(O1)=CC=CCCCCCCCC(O)=O)
CPD-729               InChI=1/C18H28O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,13-16H,2,4-6,8
           C(O)(=O)CCCCCCCC1(C(C(=O)C=C1)CC=CCC)
CPD-7298              InChI=1/C6H13O6PS/c1-14-3-5-4(7)2-6(11-5)12-13(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)
           C1(OP(O)(O)=O)(OC(C(C1)O)CSC)
CPD-7299              InChI=1/C4H6N2O4/c5-4(10)6-2(7)1-3(8)9/h1H2,(H,8,9)(H3,5,6,7,10)
           C(=O)(O)CC(=O)NC(=O)N
CPD-73                InChI=1/C26H38N7O18P3S/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)14-4-3-8-46-14)11-48-
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)c1(occc1))COP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=O)N3(c4(c(N=C3)
CPD-730               InChI=1/C18H30O3/c1-2-3-7-11-16-15(13-14-17(16)19)10-8-5-4-6-9-12-18(20)21/h3,7,15-16H,2,4-6,8
           CCC=CCC1(C(CCC1=O)CCCCCCCC(=O)O)
CPD-7300              InChI=1/C13H18N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-4,7,10-14,16-
           C(O)C1(CC(C(O)C(O)C1O)Nc2(ccc(cc2)[N+1]([O-1])=O))
CPD-7301              InChI=1/C7H15NO4/c8-4-1-3(2-9)5(10)7(12)6(4)11/h3-7,9-12H,1-2,8H2
           C(O)C1(C(O)C(O)C(O)C(N)C1)
CPD-731               InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)
           CCC=CCC1(C(CC(=O)O)CCC1=O)
CPD-734               InChI=1/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)
           C(=O)(O)CC1(C(C(=O)CC1)CC=CCC)
CPD-7383              InChI=1/C30H27O13/c31-16-5-3-15(4-6-16)29-23(12-18-20(34)10-17(32)11-22(18)41-29)42-30-28(39)
           C1(OC(C(O)C(O)C(O)1)COC(=O)C=Cc2(ccc(O)c(O)c2))OC4(C(c3(ccc(O)cc3))=Oc5(c(C=4)c(O)cc(O)c5))
CPD-7384              InChI=1/C30H27O12/c31-17-6-1-15(2-7-17)3-10-25(35)39-14-24-26(36)27(37)28(38)30(42-24)41-23-1
           C1(OC(C(O)C(O)C(O)1)COC(=O)C=Cc2(ccc(O)cc2))OC4(C(c3(ccc(O)cc3))=Oc5(c(C=4)c(O)cc(O)c5))
CPD-7386              InChI=1/C21H21O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-5-9(23)4-14-10(15)6-13(26)20(30-1
           C1(OC(CO)C(O)C(O)C(O)1)Oc3(c2(C=C(O)C(=Oc2cc(O)c3)c4(ccc(O)c(O)c4)))
CPD-7389              InChI=1/C15H10O5/c16-9-2-3-10-13(7-9)20-14(15(10)19)6-8-1-4-11(17)12(18)5-8/h1-7,16-18H
           c2(c1(C(=O)C(Oc1cc(O)c2)=Cc3(ccc(O)c(O)c3)))
CPD-7390              InChI=1/C21H22O10/c22-9-17-18(27)19(28)20(29)21(31-17)30-11-3-4-12(15(25)8-11)13(23)5-1-10-2-
           C1(OC(CO)C(O)C(O)C(O)1)Oc2(ccc(c(O)c2)C(=O)C=Cc3(ccc(O)c(O)c3))
CPD-7391              InChI=1/C21H22O9/c22-10-17-18(26)19(27)20(28)21(30-17)29-13-6-7-14(16(25)9-13)15(24)8-3-11-1-
           C1(OC(CO)C(O)C(O)C(O)1)Oc2(ccc(c(O)c2)C(=O)C=Cc3(ccc(O)cc3))
CPD-7392              InChI=1/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-10-2-3-11-14(7-10)30-15(17(11)25)6-9
           C1(OC(CO)C(O)C(O)C(O)1)Oc3(cc2(OC(C(=O)c2cc3)=Cc4(ccc(O)c(O)c4)))
CPD-7398              InChI=1/C3H6N6/c4-1-7-2(5)9-3(6)8-1/h(H6,4,5,6,7,8,9)
           c1(N)(nc(N)nc(N)n1)
CPD-7399              InChI=1/C3H5N5O/c4-1-6-2(5)8-3(9)7-1/h(H5,4,5,6,7,8,9)
           c1(nc(N)nc(n1)N)(O)
CPD-74                InChI=1/C6H10N2O3/c1-3(5(8)9)2-4(7)6(10)11/h4H,1-2,7H2,(H2,8,9)(H,10,11)
           C(=O)(O)C(N)CC(=C)C(N)=O
CPD-7400              InChI=1/C3H4N4O2/c4-1-5-2(8)7-3(9)6-1/h(H4,4,5,6,7,8,9)
           c1(O)(nc(O)nc(N)n1)
CPD-7403              InChI=1/C6H10N6/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H5,7,8,9,10,11,12)
           c1(nc(nc(n1)N)NC2(CC2))(N)
CPD-7404              InChI=1/C6H9N5O/c7-4-9-5(8-3-1-2-3)11-6(12)10-4/h3H,1-2H2,(H4,7,8,9,10,11,12)
           c1(O)(nc(nc(N)n1)NC2(CC2))
CPD-7405              InChI=1/C6H8N4O2/c11-5-8-4(7-3-1-2-3)9-6(12)10-5/h3H,1-2H2,(H3,7,8,9,10,11,12)
           c1(nc(nc(n1)O)NC2(CC2))(O)
CPD-7406   C1(C(N)C1) InChI=1/C3H7N/c4-3-1-2-3/h3H,1-2,4H2
CPD-7408              InChI=1/C40H62/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(
           CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
CPD-7409              InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-2
           CC(C=CC1(=C(C)CC(O)CC(C)(C)1))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)(C)CCCC(C)=2)
CPD-741               InChI=1/C6H6O4/c7-5(8)3-4-1-2-6(9)10-4/h1-2,4H,3H2,(H,7,8)
           C1(OC(C=C1)CC(=O)O)(=O)
CPD-7410              InChI=1/C40H56O4/c1-29(17-13-19-31(3)21-22-35(43)38(9)27-33(41)25-36(38,5)6)15-11-12-16-30(2)1
           CC(C=CC12(C(C)(C)CC(O)CC(C)(O1)2))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=O)C3(C(C)(C)CC(O)C3)(C)
CPD-7411              InChI=1/C18H16O7/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24/h5
           CC12(C(=CC(O)=C(C(=O)1)C(=O)C)Oc3(c(C(=O)C)c(O)c(C)c(c23)O))
CPD-7412              InChI=1/C18H18O7/c1-7-14(22)12(9(3)20)16(24)13(15(7)23)18(4)6-5-10(21)11(8(2)19)17(18)25/h5-6,
           CC1(C(=O)C(C(=O)C)=C(O)C=C1)c2(c(O)c(C)c(O)c(c2O)C(=O)C)
CPD-7413              InChI=1/C40H56O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-3
           CC(C=CC1(C(C)(C)CC(O)C=C1C))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
CPD-7414              InChI=1/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-
           CC(C=CC1(C(C)(C)CCC=C1C))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)=CCCC(C)2C)
CPD-7415              InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-2
           CC(C=CC1(C(C)(C)CC(O)C=C1C))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)=CCCC(C)2C)
CPD-7416              InChI=1/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-
           CC(C=CC1(C(C)(C)CC(O)C=C1C))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)=CC(O)CC(C)2C)
CPD-7417              InChI=1/C15H18O8/c16-7-10-12(19)13(20)14(21)15(23-10)22-9-4-2-1-3-8(9)5-6-11(17)18/h1-6,10,12-
           C1(C(O)C(O)C(O)C(O1)CO)Oc2(c(C=CC(O)=O)cccc2)
CPD-7418              InChI=1/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)
           C(=O)(O)C=Cc1(c(O)cccc1)
CPD-7419              InChI=1/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(
           CC(C=CC1(C(C)(C)CCCC=1C))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
CPD-742               InChI=1/C7H6O6/c8-5(9)2-4-3(7(11)12)1-6(10)13-4/h1,4H,2H2,(H,8,9)(H,11,12)
           C1(OC(CC(=O)O)C(=C1)C(=O)O)(=O)
CPD-7420              InChI=1/C40H58O/c1-31(2)17-13-20-34(5)23-15-25-35(6)24-14-21-32(3)18-11-12-19-33(4)22-16-26-3
           CC(C=CC1(=C(C)CC(O)CC(C)(C)1))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
CPD-7421              InChI=1/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-2
           CC1(C)(C(=C(C)CCC1)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)=CC(O)CC(C)2C))
CPD-7422              InChI=1/C40H58/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(
           CC(C=CC1(C(C)=CCCC(C)(C)1))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
CPD-7424              InChI=1/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)1
           CC(C=C=C1(C(C)(C)CC(O)CC(C)1O))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC23(C(O2)(C)CC(O)CC(C)(C)3)
CPD-7425              InChI=1/C42H52N6O13.Ni/c1-17-36-20(5-9-32(53)54)26-13-24-21(11-34(57)58)19(4-8-31(51)52)39(45
           CC110(C4(N7(=C(C1CCC(O)=O)C=C2(N6(C(C(CCC(O)=O)C2CC(=O)O)=C3(C9(C(CCC(=O)3)C(CC(O)=O)[CH]8([CH2]C5(
CPD-743               InChI=1/C10H14O/c11-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-9H,1-5H2
           C3(C1(CC2(CC(C1)CC(C2)3)))(=O)
CPD-744               InChI=1/C10H14O2/c11-9-7-1-6-2-8(9)5-10(12,3-6)4-7/h6-8,12H,1-5H2
           C12(CC3(CC(C1)C(=O)C(C2)C3))(O)
CPD-745               InChI=1/C10H14O2/c11-10-8-2-6-1-7(3-8)5-9(4-6)12-10/h6-9H,1-5H2
           C3(=O)(C1(CC2(CC(C1)CC(C2)O3)))
CPD-746               InChI=1/C10H14O3/c11-9-7-1-6-2-8(13-9)5-10(12,3-6)4-7/h6-8,12H,1-5H2
           C1(=O)(C3(CC2(O)(CC(O1)CC(C2)C3)))
CPD-7496              InChI=1/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(
           CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
CPD-75                InChI=1/C12H26N2O13P2/c1-7(13)11(18)14-8(2)12(19)27-29(22,23)26-6-10(17)5-25-28(20,21)24-4-9(
           CC(N)C(=O)NC(C)C(=O)OP(=O)(O)OCC(O)COP(=O)(O)OCC(O)CO
CPD-7519              InChI=1/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(
           CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
CPD-7524              InChI=1/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(
           CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
CPD-7526              InChI=1/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(
           CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
CPD-7535              InChI=1/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(
           CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
CPD-7554              InChI=1/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h9,12-15H,1,5-8H2,2-4H3
           C=C(C)C1(CCC(C)[CH]2([CH]1C=C(C)CC2))
CPD-7556              InChI=1/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8,11,13-16H,3-7,9H2,1-2H3
           C=C(CO)C1(CCC(C)[CH]2([CH]1C=C(C)CC2))
CPD-7557              InChI=1/C15H22O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11,13-15H,3-7H2,1-2H3
           C=C(C=O)C1(CCC(C)[CH]2([CH]1C=C(C)CC2))
CPD-7558              InChI=1/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h8-9,11-15H,4-7H2,1-3H3
           CC(C=O)C1(CCC(C)[CH]2([CH]1C=C(C)CC2))
CPD-7559              InChI=1/C15H24O2/c1-9-4-6-12-10(2)5-7-13(14(12)8-9)11(3)15(16)17/h8,10-14H,4-7H2,1-3H3,(H,16,1
           CC(C(O)=O)C1(CCC(C)[CH]2([CH]1C=C(C)CC2))
CPD-7560              InChI=1/C15H24O4/c1-9-4-5-12(10(2)14(16)17)13-8-15(3,19-18)7-6-11(9)13/h8-12,18H,4-7H2,1-3H3,(
           CC(C(O)=O)C1(CCC(C)[CH]2(C1=CC(C)(OO)CC2))
CPD-7561              InChI=1/C15H22O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-11,13H,4-7H
           CC1(C(=O)O[CH]3(C24([CH](C(C)CCC12)CCC(O3)(C)OO4)))
CPD-7564              InChI=1/C42H48N6O14.Ni/c1-41(17-33(43)49)23(5-9-37(55)56)29-14-27-21(11-39(59)60)19(3-7-35(51
           CC1(C3(=N6(C(C1CCC(O)=O)=CC2(=N5(C(C(CCC(O)=O)C2CC(=O)O)=Cc8(c(CCC(O)=O)c(CC(O)=O)c7(C=C4(C(CC(N)=O
CPD-7590              InChI=1/C42H52N6O14.Ni/c1-41(17-33(43)49)23(5-9-37(55)56)29-14-27-21(11-39(59)60)19(3-7-35(51
           CC1(C3(N6(=C(C1CCC(O)=O)C=C2(N5(C(C(CCC(O)=O)C2CC(=O)O)=CC8(C(CCC(O)=O)[CH](CC(O)=O)[CH]7(C=C4(C(CC
CPD-7591              InChI=1/C42H54N6O14.Ni/c1-41(17-33(43)49)23(5-9-37(55)56)29-14-27-21(11-39(59)60)19(3-7-35(51
           CC5(CC(=O)N)(C4(=C[CH]1(N2(=C(C(C)(CC(=O)N)C1CCC(O)=O)[CH2][CH]8(N7([Ni+1]32(N6(C(=CC(=N34)C5CCC(=O)
CPD-7592              InChI=1/C42H54N6O14.Ni/c1-40(17-32(43)49)23(5-9-36(55)56)30-16-42-41(2,18-33(50)48-42)24(6-10
           CC19(C3(N6(=C(C1CCC(O)=O)C=C2(N5(C(C(CCC(O)=O)C2CC(=O)O)=CC8(C(CCC(O)=O)C(CC(O)=O)[CH]7([CH2]C4(C(C
CPD-7598              InChI=1/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-1
           C(=O)(NCCO)CCCC=CCC=CCC=CCC=CCCCCC
CPD-7599              InChI=1/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)
           C(=O)(O)[CH](C)OP(=O)(O)O
CPD-76                InChI=1/C32H50N7O18P3S/c1-19(2)6-5-7-20(9-12-40)14-23(42)61-13-11-34-22(41)8-10-35-30(45)27(
           CC(C)=CCCC(CC=O)=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n2
CPD-7601              InChI=1/C13H19N5O13P2/c1-4(12(22)23)30-33(26,27)31-32(24,25)28-2-5-7(19)8(20)11(29-5)18-3-15-
           C(OP(O)(=O)OP(O)(=O)O[CH](C)C(O)=O)C1(OC(C(O)C(O)1)n2(c3(c(nc2)c(=O)[nH]c(N)n3)))
CPD-7602              InChI=1/C16H17N3O7/c20-6-12(23)13(24)11(22)5-19-10-4-8(21)2-1-7(10)3-9-14(19)17-16(26)18-15(9
           c13(c(C(=O)NC(N=1)=O)cc2(c(cc(O)cc2)n3C[CH](O)[CH](O)[CH](O)CO))
CPD-7604              InChI=1/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(
           c13(c(C(=O)NC(N=1)=O)cc2(c(cc(O)cc2)n3C[CH](O)[CH](O)[CH](O)COP(O)(=O)O[CH](C)C(=O)NC(C(O)=O)CCC(=O)NC
CPD-7607              InChI=1/C24H29N4O15P/c1-10(21(35)25-14(23(37)38)4-5-18(32)33)43-44(40,41)42-9-17(31)19(34)16
           c13(c(C(=O)NC(N=1)=O)cc2(c(cc(O)cc2)n3CC(O)C(O)C(O)COP(O)(=O)OC(C)C(=O)NC(C(O)=O)CCC(O)=O))
CPD-7608              InChI=1/C30H50O2/c1-25(2)14-15-26(3)16-17-29(6)20(21(26)18-25)8-9-23-27(4)12-11-24(32)28(5,19-
           CC1(C2(C(CCC(O)1)(C)C3(C(CC2)(C)C4(C(=CC3)C5(C(CC4)(C)CCC(C)(C)C5))(C))))(CO)
CPD-7609              InChI=1/C30H50O2/c1-25(2)17-20-19-9-10-22-28(6)13-12-23(31)26(3,4)21(28)11-14-30(22,8)29(19,7)
           CC1(C2(C(CCC(O)1)(C)C3(C(CC2)(C)C4(C(=CC3)C5(C(CC4)(C)C(O)CC(C)(C)C5))(C))))(C)
CPD-761               InChI=1/C7H6O6/c8-4(9)3-7(6(11)12)2-1-5(10)13-7/h1-2H,3H2,(H,8,9)(H,11,12)
           C1(OC(C=C1)(C(=O)O)CC(=O)O)(=O)
CPD-7610              InChI=1/C30H50O3/c1-25(2)16-20-19-8-9-22-27(4)12-11-23(32)28(5,18-31)21(27)10-13-30(22,7)29(19
           CC1(C2(C(CCC(O)1)(C)C3(C(CC2)(C)C4(C(=CC3)C5(C(CC4)(C)C(O)CC(C)(C)C5))(C))))(CO)
CPD-7612              InChI=1/C36H60O9/c1-31(2)16-20-19-8-9-22-33(4)12-11-24(44-30-27(41)25(39)26(40)28(45-30)29(42
           CC3(C(OC1(C(O)C(O)C(O)C(O1)C(O)O))CCC2(C4(C(CCC23)(C)C5(C(=CC4)C6(C(CC5)(C)C(O)CC(C)(C)C6))(C)))(C))(CO)
CPD-7613              InChI=1/C34H43N6O21P/c1-14(29(50)36-19(32(53)54)4-7-24(44)35-18(5-8-25(45)46)31(52)37-20(33(
           c13(c(C(=O)NC(N=1)=O)cc2(c(cc(O)cc2)n3CC(O)C(O)C(O)COP(O)(=O)O[CH](C)C(=O)NC(C(O)=O)CCC(=O)NC(CCC(=O
CPD-7614              InChI=1/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H
           C(=O)c1(c2(c(ccc1)cccc2))
CPD-7615              InChI=1/C11H8O2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H,12,13)
           C(=O)(O)c1(c2(c(ccc1)cccc2))
CPD-7616               InChI=1/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
           C(=O)c1(ccc(O)c(O)c1)
CPD-7618               InChI=1/C10H16O2/c1-8(2)5-4-6-9(3)7-10(11)12/h5,7H,4,6H2,1-3H3,(H,11,12)
           CC(C)=CCCC(C)=CC(O)=O
CPD-7619   CCCCCCC(O)=OInChI=1/C7H14O2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3,(H,8,9)
CPD-762                InChI=1/C2H5AsO5/c4-2(5)1-3(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
           C([As](O)(O)=O)C(O)=O
CPD-7620   CCCCCCC=O   InChI=1/C7H14O/c1-2-3-4-5-6-7-8/h7H,2-6H2,1H3
CPD-7628               InChI=1/C34H46N6O14/c35-16-22-15-20(18-54-22)17-53-21-3-1-19(2-4-21)13-14-37-27(41)10-6-24(3
           c1(c(cc(o1)C[N+1])COc2(ccc(cc2)CCNC(=O)CCC(C(O)=O)NC(=O)CCC(C(O)=O)NC(=O)CCC(C(=O)O)NC(=O)CCC([N+1])
CPD-7629               InChI=1/C34H44N4O16/c35-15-21-13-19(17-54-21)16-53-20-3-1-18(2-4-20)11-12-36-27(40)8-6-24(33
           c1(c(cc(o1)C[N+1])COc2(ccc(cc2)CCNC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)C(O)CC(C(O)=O)C(C(O)=O)CCC(O
CPD-763    O[As](O)O InChI=1/AsH3O3/c2-1(3)4/h2-4H
CPD-7630               InChI=1/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6
           c3(c2(OC(c1(cc(O)c(O)cc1))C(O)Cc2c(O)cc(O)3))
CPD-7631               InChI=1/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(3
           c1(c2(c(c(O)cc(O)1)C(C(O)C(O2)c3(cc(O)c(O)cc3))c6(c5(OC(c4(cc(O)c(O)cc4))C(O)Cc5c(O)cc(O)6))))
CPD-7632               InChI=1/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29
           c4(c(O)c(C2(C(O)C(c1(cc(O)c(O)cc1))Oc3(c2c(O)cc(O)c3)))c5(c(c(O)4)C(C(O)C(O5)c6(cc(O)c(O)cc6))c9(c8(OC(c7(cc(O
CPD-7633               InChI=1/C45H38O18/c46-18-10-27(54)33-32(11-18)61-42(16-2-5-21(48)25(52)8-16)39(59)37(33)35-29
           c4(c(O)c(C2(C(O)C(c1(cc(O)c(O)cc1))Oc3(c2c(O)cc(O)c3)))c5(c(c(O)4)C(C(O)C(O5)c6(cc(O)c(O)cc6))c9(c8(OC(c7(cc(O
CPD-7634               InChI=1/C6H14O13P2/c7-2-5(10,3-18-20(12,13)14)1-6(11,4(8)9)19-21(15,16)17/h7,10-11H,1-3H2,(H,8
           C(O)C(O)(COP(O)(=O)O)CC(O)(C(O)=O)OP(=O)(O)O
CPD-7635               InChI=1/C6H11O9P/c7-2-6(11,1-4(8)5(9)10)3-15-16(12,13)14/h7,11H,1-3H2,(H,9,10)(H2,12,13,14)
           C(O)C(CC(=O)C(=O)O)(O)COP(O)(O)=O
CPD-7636               InChI=1/C6H9O8P/c7-2-4(1-5(8)6(9)10)3-14-15(11,12)13/h1,7H,2-3H2,(H,9,10)(H2,11,12,13)
           C(O)C(COP(O)(=O)O)=CC(=O)C(O)=O
CPD-7637               InChI=1/C6H9O8P/c7-5(8)6(9)1-4(2-13-6)3-14-15(10,11)12/h1,9H,2-3H2,(H,7,8)(H2,10,11,12)
           C1(C(=CC(O1)(O)C(=O)O)COP(O)(O)=O)
CPD-7638               InChI=1/C6H7O7P/c7-6(8)5-1-4(2-12-5)3-13-14(9,10)11/h1-2H,3H2,(H,7,8)(H2,9,10,11)
           c1(c(COP(O)(=O)O)cc(o1)C(O)=O)
CPD-7639               InChI=1/C9H12O8/c10-6(11)2-1-4(8(14)15)5(9(16)17)3-7(12)13/h4-5H,1-3H2,(H,10,11)(H,12,13)(H,14
           C(O)(=O)C(CC(=O)O)C(C(O)=O)CCC(=O)O
CPD-764                InChI=1/C2H5O5P/c3-2(4)1-8(5,6)7/h1H2,(H,3,4)(H2,5,6,7)
           C(O)(=O)CP(=O)(O)O
CPD-7640               InChI=1/C10H12O9/c11-6(10(18)19)3-5(9(16)17)4(8(14)15)1-2-7(12)13/h4-5H,1-3H2,(H,12,13)(H,14,1
           C(=O)(O)C(CC(=O)C(O)=O)C(C(=O)O)CCC(O)=O
CPD-7641               InChI=1/C10H14O9/c11-6(10(18)19)3-5(9(16)17)4(8(14)15)1-2-7(12)13/h4-6,11H,1-3H2,(H,12,13)(H,1
           C(=O)(O)C(CC(O)C(O)=O)C(C(=O)O)CCC(O)=O
CPD-7642               InChI=1/C10H14O8/c11-7(12)3-1-5(9(15)16)6(10(17)18)2-4-8(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14)(H
           C(O)(=O)C(CCC(=O)O)C(C(O)=O)CCC(=O)O
CPD-7643               InChI=1/C6H7O6P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1-3H,4H2,(H2,8,9,10)
           c1(c(cc(o1)[CH]=O)COP(O)(O)=O)
CPD-7644               InChI=1/C6H10NO5P/c7-2-6-1-5(3-11-6)4-12-13(8,9)10/h1,3H,2,4,7H2,(H2,8,9,10)/p+1
           c1(c(COP(O)(=O)O)cc(o1)C[N+1])
CPD-7645               InChI=1/C14H18N2O2/c15-6-5-11-1-3-13(4-2-11)17-9-12-7-14(8-16)18-10-12/h1-4,7,10H,5-6,8-9,15-1
           c1(c(cc(o1)C[N+1])COc2(ccc(cc2)CC[N+1]))
CPD-7646               InChI=1/C19H25N3O5/c20-10-16-9-14(12-27-16)11-26-15-3-1-13(2-4-15)7-8-22-18(23)6-5-17(21)19(2
           c1(c(cc(o1)C[N+1])COc2(ccc(cc2)CCNC(=O)CCC(N)C(O)=O))
CPD-7647               InChI=1/C24H32N4O8/c25-12-18-11-16(14-36-18)13-35-17-3-1-15(2-4-17)9-10-27-21(29)8-6-20(24(33
           c1(c(cc(o1)C[N+1])COc2(ccc(cc2)CCNC(=O)CCC(C(O)=O)NC(=O)CCC(N)C(O)=O))
CPD-7649               InChI=1/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)
           C(N)Cc1(cc(c(O)cc1)OS(=O)(O)=O)
CPD-7650               InChI=1/C9H13NO2/c1-12-9-6-7(4-5-10)2-3-8(9)11/h2-3,6,11H,4-5,10H2,1H3
           C(N)Cc1(cc(OC)c(O)cc1)
CPD-7651               InChI=1/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
           C(O)(=O)Cc1(cc(OC)c(O)cc1)
CPD-7652               InChI=1/C11H16NO7P/c12-7-3-1-6(2-4-7)11-10(14)9(13)8(19-11)5-18-20(15,16)17/h1-4,8-11,13-14H,5
           C(OP(O)(=O)O)C1(OC(C(O)C(O)1)c2(ccc(N)cc2))
CPD-7654               InChI=1/C9H12N2O/c10-6-5-9(12)7-3-1-2-4-8(7)11/h1-4H,5-6,10-11H2
           C(N)CC(=O)c1(c(N)cccc1)
CPD-7655               InChI=1/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3
           C1(OC(CO)C(O)C(O)C(O)1)OCCCCCCCC
CPD-7656               InChI=1/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
           C(CCN(C)CC#C)Oc1(c(Cl)cc(Cl)cc1)
CPD-7657               InChI=1/C10H15N/c1-10(2,11)8-9-6-4-3-5-7-9/h3-7H,8,11H2,1-2H3
           CC(C)(N)Cc1(ccccc1)
CPD-7658               InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
           CC(N)Cc1(ccccc1)
CPD-7659               InChI=1/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3
           CC(N)Cc1(ccccc1)
CPD-7661               InChI=1/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-
           CC(Cc1(ccc(O)c(O)c1))C(C)Cc2(ccc(O)c(O)c2)
CPD-7662               InChI=1/C15H17N2O5/c1-4-11(15(20)16(5-2)6-3)7-10-8-12(17(21)22)14(19)13(18)9-10/h1,7-9,18-19H
           C#CC(C(=O)N(CC)CC)=Cc1(cc(N(=O)O)c(O)c(c1)O)
CPD-7663               InChI=1/C12H12NO6/c1-6(14)9(7(2)15)3-8-4-10(13(18)19)12(17)11(16)5-8/h3-5,16-17H,1-2H3,(H,18,1
           CC(=O)C(C(=O)C)=Cc1(cc(N(O)=O)c(O)c(O)c1)
CPD-7664               InChI=1/C14H12NO5/c1-8-2-4-9(5-3-8)13(17)10-6-11(15(19)20)14(18)12(16)7-10/h2-7,16,18H,1H3,(H
           Cc1(ccc(cc1)C(=O)c2(cc(N(O)=O)c(O)c(O)c2))
CPD-7665               InChI=1/C9H13NO2/c1-12-9-3-2-7(4-5-10)6-8(9)11/h2-3,6,11H,4-5,10H2,1H3
           C(N)Cc1(cc(O)c(cc1)OC)
CPD-7666               InChI=1/C8H11NO3/c9-2-1-5-3-7(11)8(12)4-6(5)10/h3-4,10-12H,1-2,9H2
           C(N)Cc1(c(O)cc(O)c(O)c1)
CPD-7667               InChI=1/C7H9NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H,4,8H2
           C(N)c1(cc(O)c(O)cc1)
CPD-7668               InChI=1/C9H15N5O/c10-7-6-8(12-9(11)14(7)15)13-4-2-1-3-5-13/h6,11,15H,1-5,10H2
           c1(cc(N)n(O)c(=N)n1)N2(CCCCC2)
CPD-7669               InChI=1/C8H9NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h2-5,11H,1H3,(H,9,10)
           C(C)(=O)Nc1(ccc(O)cc1)
CPD-7670   CSC         InChI=1/C2H6S/c1-3-2/h1-2H3
CPD-7671   CS         InChI=1/CH4S/c1-2/h2H,1H3
CPD-7672              InChI=1/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
           C(SC)CC(=O)O
CPD-7673   C(S)CC(=O)OInChI=1/C3H6O2S/c4-3(5)1-2-6/h6H,1-2H2,(H,4,5)
CPD-7674              InChI=1/C5H11O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3,(H,6,7)
           C(S(C)C)CC(=O)O
CPD-7679              InChI=1/C4H12N/c1-5(2,3)4/h1-4H3/q+1
           C[N+1](C)(C)C
CPD-7681              InChI=1/C4H12N/c1-5(2,3)4/h1-4H3/q+1
           C[N+1](C)(C)C
CPD-7682              InChI=1/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)
           C1(=NC(C(=O)O)CCC1)
CPD-7684              InChI=1/C12H19N4O3/c13-8-2-1-3-11(14)12(17)15-9-4-6-10(7-5-9)16(18)19/h4-7,11H,1-3,8,13-14H2,
           C(=O)(C(N)CCCCN)Nc1(ccc(N(O)=O)cc1)
CPD-7688              InChI=1/C5H9NO5/c6-4(5(10)11)2(7)1-3(8)9/h2,4,7H,1,6H2,(H,8,9)(H,10,11)
           C(=O)(O)CC(O)C(N)C(O)=O
CPD-7689              InChI=1/C6H14N2O3/c7-4(6(10)11)2-1-3-5(8)9/h4-5,9H,1-3,7-8H2,(H,10,11)
           C(O)(=O)C(N)CCCC(O)N
CPD-7690              InChI=1/C7H14N2O5/c8-3(6(11)12)1-2-4(10)5(9)7(13)14/h3-5,10H,1-2,8-9H2,(H,11,12)(H,13,14)
           C(=O)(O)C(N)CCC(O)C(N)C(O)=O
CPD-7691   C(=O)(N)CNInChI=1/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)
CPD-7692              InChI=1/C3H8N2O/c1-2(4)3(5)6/h2H,4H2,1H3,(H2,5,6)
           C(=O)(N)C(C)N
CPD-7695              InChI=1/C94H156N8O26P2/c1-59(2)31-21-32-60(3)33-22-34-61(4)35-23-36-62(5)37-24-38-63(6)39-25
           C(NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(=O)O)(=O)C(C)NC(=O)C(C)OC1(C(NC(C)=O)C(OC(CO)C1O
CPD-7700              InChI=1/C27H25O17/c28-11-4-14(30)12-6-17(25(41-16(12)5-11)10-1-2-13(29)15(31)3-10)42-27-24(39
           C1(OC(COC(=O)CC(O)=O)C(O)C(C(O)1)OC(=O)CC(=O)O)OC3(C(c2(ccc(O)c(O)c2))=Oc4(c(C=3)c(O)cc(O)c4))
CPD-7708              InChI=1/C39H39O22/c40-17-9-23-18(24(10-17)58-38-35(53)33(51)32(50)27(60-38)14-56-30(48)12-28
           C1(OC(C(O)C(O)C(O)1)COC(=O)C=Cc2(ccc(O)c(O)c2))OC4(C(c3(ccc(O)c(O)c3))=Oc5(c(C=4)c(cc(O)c5)OC6(OC(C(O)C(
CPD-7710              InChI=1/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20
           C1(N(C)[CH]3(C2(C5(C1)(C(C(OC)=CC=2)Oc4(c(OC)ccc(C3)c45)))))
CPD-7712              InChI=1/C18H19NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3
           C2(N(C)[CH]1(Cc5(ccc(OC)c4(OC3(C(=O)CC=C1C(C2)3c45)))))
CPD-7713              InChI=1/C18H19NO3/c1-19-8-7-18-11-4-6-14(21-2)17(18)22-16-13(20)5-3-10(15(16)18)9-12(11)19/h3
           C1(CC35(C4([CH](N(C)1)Cc2(c(c(c(O)cc2)OC3C(OC)=CC=4)5))))
CPD-7714              InChI=1/C36H37O19/c37-12-25-28(44)30(46)32(48)35(54-25)52-23-10-16(38)9-22-17(23)11-24(34(51
           C1(OC(C(O)C(O)C(O)1)COC(=O)C=Cc2(ccc(O)c(O)c2))OC4(C(c3(ccc(O)c(O)c3))=Oc5(c(C=4)c(cc(O)c5)OC6(OC(CO)C(O
CPD-782               InChI=1/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
           C(O)(=O)Cc1(cc(O)c(O)cc1)
CPD-783               InChI=1/C8H8O6/c9-4-5(3-7(11)12)1-2-6(10)8(13)14/h1-2,4,10H,3H2,(H,11,12)(H,13,14)
           C(O)(=O)C(O)=CC=C([CH]=O)CC(=O)O
CPD-784               InChI=1/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,9H,3H2,(H,10,11)(H,12,13)(H,14,15)
           C(O)(=O)C(O)=CC=C(C(=O)O)CC(=O)O
CPD-785               InChI=1/C8H8O7/c9-5(8(14)15)2-1-4(7(12)13)3-6(10)11/h1-2,4H,3H2,(H,10,11)(H,12,13)(H,14,15)
           C(O)(=O)CC(C(=O)O)C=CC(=O)C(=O)O
CPD-786               InChI=1/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1,3H,2,4H2,(H,9,10)(H,11,12)
           C(O)(=O)CCC=CC(=O)C(=O)O
CPD-787               InChI=1/C7H8O5/c8-5(7(11)12)3-1-2-4-6(9)10/h1-3,8H,4H2,(H,9,10)(H,11,12)
           C(=O)(O)CC=CC=C(O)C(O)=O
CPD-788               InChI=1/C10H16O3/c1-9(2)7-4-5-10(3,13-9)12-8(11)6-7/h7H,4-6H2,1-3H3
           CC1(C)(C2(CC(=O)OC(C)(O1)CC2))
CPD-789               InChI=1/C10H16O3/c1-7(11)4-5-8-6-9(12)13-10(8,2)3/h8H,4-6H2,1-3H3
           CC(=O)CCC1(C(C)(C)OC(C1)=O)
CPD-79                InChI=1/C17H22O9/c1-23-10-6-9(4-3-5-18)7-11(24-2)16(10)26-17-15(22)14(21)13(20)12(8-19)25-17/h
           C(=O)C=Cc1(cc(OC)c(c(c1)OC)OC2(OC(CO)C(O)C(O)C(O)2))
CPD-790               InChI=1/C10H16O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7H,4-6H2,1-3H3
           CC1(C)(C2(CC(=O)C(C)(O1)CC2))
CPD-791               InChI=1/C10H18O2/c1-9(2)7-4-5-10(3,12-9)6-8(7)11/h7-8,11H,4-6H2,1-3H3
           CC12(OC(C)(C)C(CC1)C(O)C2)
CPD-8                 InChI=1/C35H52N7O19P/c1-14(25-15(2)38-30-26(40-25)32(53)42-35(36)41-30)37-17-5-3-16(4-6-17)1
           CC([CH]1([CH](C)Nc2(c(N1)c(=O)nc(n2)N)))Nc3(ccc(cc3)[CH2][CH](O)[CH](O)[CH](O)COC4(OC(C(O)C4O)COP(=O)([O
CPD-80                InChI=1/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)
           C(=O)(O)C(O)NC(N)=O
CPD-801               InChI=1/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
           CC(C)NC1(N=C(Cl)N=C(N=1)N)
CPD-802               InChI=1/C22H44O3/c1-2-3-4-5-9-12-15-18-21(23)19-16-13-10-7-6-8-11-14-17-20-22(24)25/h21,23H,2
           CCCCCCCCCC(O)CCCCCCCCCCCC(=O)O
CPD-803               InChI=1/C28H54O8/c1-2-3-4-5-9-12-15-18-22(35-28-27(34)26(33)25(32)23(21-29)36-28)19-16-13-10-
           CCCCCCCCCC(OC1(C(O)C(O)C(O)C(O1)CO))CCCCCCCCCCCC(=O)O
CPD-804               InChI=1/C7H10O6/c8-4(1-2-6(10)11)3-5(9)7(12)13/h4,8H,1-3H2,(H,10,11)(H,12,13)
           C(O)(=O)CCC(O)CC(=O)C(=O)O
CPD-805               InChI=1/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)
           CCNC1(N=C(N)N=C(N=1)Cl)
CPD-806               InChI=1/C5H9N5O/c1-2-7-4-8-3(6)9-5(11)10-4/h2H2,1H3,(H4,6,7,8,9,10,11)
           C(C)NC1(=NC(N)=NC(=N1)O)
CPD-807               InChI=1/C5H8N4O2/c1-2-6-3-7-4(10)9-5(11)8-3/h2H2,1H3,(H3,6,7,8,9,10,11)
           CCNC1(=NC(O)=NC(=N1)O)
CPD-808               InChI=1/C5H9N5O/c1-2-7-4-8-3(6)9-5(11)10-4/h2H2,1H3,(H4,6,7,8,9,10,11)
           C(C)NC1(N=C(N)N=C(O)N=1)
CPD-809               InChI=1/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7)
           C(=O)(N)NC(N)=O
CPD-81                InChI=1/C16H20O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h2-7,12
           C(=O)C=Cc1(cc(OC)c(cc1)OC2(OC(CO)C(O)C(O)C(O)2))
CPD-82                InChI=1/C16H24O8/c1-22-11-7-9(3-2-6-17)4-5-10(11)23-16-15(21)14(20)13(19)12(8-18)24-16/h4-5,7,
           C1(C(O)C(O)C(O)C(O1)CO)Oc2(c(OC)cc(cc2)CCCO)
CPD-821               InChI=1/C7H13NO2/c1-8(2)5-3-4-6(8)7(9)10/h6H,3-5H2,1-2H3
           C([O-1])(=O)[CH]1([N+1](C)(C)CCC1)
CPD-822               InChI=1/C9H13NO6/c11-5-1-2-6(9(15)16)10-7(12)3-4-8(13)14/h5-6H,1-4H2,(H,10,12)(H,13,14)(H,15,1
           C(=O)(O)CCC(=O)NC(C(O)=O)CCC=O
CPD-824               InChI=1/C6H11N3O3/c7-6(8)9-3-1-2-4(10)5(11)12/h1-3H2,(H,11,12)(H4,7,8,9)
           C(=O)(O)C(=O)CCCNC(=N)N
CPD-825                InChI=1/C5H11N3O/c6-5(7)8-3-1-2-4-9/h4H,1-3H2,(H4,6,7,8)
          C(NC(=N)N)CC[CH]=O
CPD-827                InChI=1/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h3,6-8,12H,1-2H2,(H,10,11)
          C(O)C(=O)C(O)C(O)CC(O)=O
CPD-83                 InChI=1/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H
          c1(c(cc(O)cc(O)1)C=Cc2(ccc(O)cc2))
CPD-84                 InChI=1/C6H11O6PS/c1-14-3-2-5(7)6(8)4-12-13(9,10)11/h2-4H2,1H3,(H2,9,10,11)
          C(SC)CC(=O)C(=O)COP(O)(=O)O
CPD-842                InChI=1/CCl4/c2-1(3,4)5
          C(Cl)(Cl)(Cl)Cl
CPD-843   C(Cl)(Cl)Cl InChI=1/CHCl3/c2-1(3)4/h1H
CPD-844   C(=S)=S      InChI=1/CS2/c2-1-3
CPD-845   CCl          InChI=1/CH3Cl/c1-2/h1H3
CPD-846   [SH-1]       InChI=1/H2S/h1H2/p-1
CPD-85                 InChI=1/C6H10O3S/c1-10-3-2-5(8)6(9)4-7/h4,7,9H,2-3H2,1H3
          C(O)=C(O)C(=O)CCSC
CPD-86    C(SC)CC(O)=O InChI=1/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
CPD-861                InChI=1/C15H24N5O17P3/c16-12-7-13(18-3-17-12)20(4-19-7)14-11(36-38(25,26)27)9(22)6(34-14)2-3
          c1(N)(c2(c(ncn1)n(cn2)C3(OC(C(O)C3OP(=O)(O)O)COP(O)(=O)OP(=O)(O)OCC4(C(O)C(O)C(O)O4))))
CPD-862                InChI=1/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3
          CC12(C(=O)CC(C(C)(C)1)CC2)
CPD-863                InChI=1/C10H16O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6-7,11H,4-5H2,1-3H3
          CC2(C1(C(O)CC(C)(C(C1)=O)2))(C)
CPD-864                InChI=1/C10H14O2/c1-9(2)6-4-8(12)10(9,3)5-7(6)11/h6H,4-5H2,1-3H3
          CC1(C)(C2(C(=O)CC1(C)C(=O)C2))
CPD-865                InChI=1/C10H14O3/c1-9(2)6-4-8(12)13-10(9,3)5-7(6)11/h6H,4-5H2,1-3H3
          CC12(C(C)(C)C(C(C1)=O)CC(O2)=O)
CPD-866                InChI=1/C10H14O3/c1-6-4-8(11)7(5-9(12)13)10(6,2)3/h4,7H,5H2,1-3H3,(H,12,13)
          CC1(C(CC(O)=O)C(=O)C=C(C)1)(C)
CPD-867                InChI=1/C31H48N7O18P3S/c1-16-10-18(39)17(31(16,4)5)11-21(41)60-9-8-33-20(40)6-7-34-28(44)25(4
          CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC1(C(C)(C)C(C)=CC(=O)1))COP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C2OP(=O)(O)
CPD-868                InChI=1/C31H48N7O19P3S/c1-16-10-20(40)55-18(31(16,4)5)11-21(41)61-9-8-33-19(39)6-7-34-28(44)2
          C3(n1(c2(c(nc1)c(N)ncn2)))(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=
CPD-869                InChI=1/C31H48N7O19P3S/c1-17(30(2,3)8-6-20(40)41)12-21(42)61-11-10-33-19(39)7-9-34-28(45)25(4
          c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=
CPD-87                 InChI=1/C7H6O6/c8-2-1-4(6(10)11)3-5(9)7(12)13/h1-3,9H,(H,10,11)(H,12,13)
          C(=O)C=C(C(O)=O)C=C(O)C(O)=O
CPD-88                 InChI=1/C6H6O5/c1-3(5(8)9)2-4(7)6(10)11/h1-2H2,(H,8,9)(H,10,11)
          C=C(C(O)=O)CC(=O)C(=O)O
CPD-881                InChI=1/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,1
          CC1(C(=C(C)CCC1)C=CC(C)=CC=CC(C)=C[CH]=O)(C)
CPD-882                InChI=1/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,1
          CC1(C(=C(C)CCC1)C=CC(C)=CC=CC(C)=CCO)(C)
CPD-883                InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
          C1(CCCCC(=O)N1)
CPD-884                InChI=1/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
          C(N)CCCCC(O)=O
CPD-885                InChI=1/C20H28O7/c1-10-5-18-8-20(10,27)4-3-12(18)19(9-21)7-11(22)6-17(2,16(25)26)14(19)13(18)1
          CC1([CH]4(C(CC(O)C1)(CO)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
CPD-89                 InChI=1/C6H8O6/c1-6(12,5(10)11)2-3(7)4(8)9/h12H,2H2,1H3,(H,8,9)(H,10,11)
          CC(C(=O)O)(O)CC(=O)C(O)=O
CPD-9                  InChI=1/C36H54N7O19P/c1-15(26-16(2)39-31-27(43(26)3)33(54)42-36(37)41-31)38-18-6-4-17(5-7-18
          c12(c(c(=O)nc(N)n1)N(C)[CH]([CH](C)N2)C(C)Nc3(ccc(cc3)C[CH](O)[CH](O)[CH](O)COC4(OC(C(O)C(O)4)COP(=O)([O
CPD-90                 InChI=1/C30H50O/c1-19(2)20-11-14-27(5)17-18-29(7)21(25(20)27)9-10-23-28(6)15-13-24(31)26(3,4)2
          CC(=C)C1([CH]2(C(CC1)(C)CCC3(C4([CH](CC[CH]23)C5([CH](CC4)C(C)(C)C(O)CC5)(C))(C))(C)))
CPD-901                InChI=1/C6H5.C2H4O2.Hg/c1-2-4-6-5-3-1;1-2(3)4;/h1-5H;1H3,(H,3,4);/q;;+1/p-1
          C(=O)(C)O[Hg]C1(=CC=CC=C1)
CPD-904                InChI=1/C6H11NO2/c1-7-4-2-3-5(7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
          C(O)(=O)[CH]1(N(C)CCC1)
CPD-921                InChI=1/C13H22N4O8S2/c14-6(12(22)23)1-2-9(18)17-8(11(21)16-3-10(19)20)5-27-26-4-7(15)13(24)25
          C(CCC(N)C(=O)O)(=O)NC(C(=O)NCC(=O)O)CSSCC(N)C(=O)O
CPD-922                InChI=1/C12H8O2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
          C1(C=CC2(=C(C=1)OC3(=C(O2)C=CC=C3)))
CPD-923                InChI=1/C12H10O4/c13-8-4-1-2-6-10(8)16-11-7-3-5-9(14)12(11)15/h1-7,13-15H
          C1(C=CC(=C(O)C(O)=1)OC2(C(O)=CC=CC=2))
CPD-924                InChI=1/C12H10O6/c13-8-4-1-2-6-10(8)18-11(15)7-3-5-9(14)12(16)17/h1-7,13-14H,(H,16,17)
          C(=O)(O)C(O)=CC=CC(=O)OC1(C(O)=CC=CC=1)
CPD-925                InChI=1/C12H10O4/c13-10-6-3-7-11-12(10,14)16-9-5-2-1-4-8(9)15-11/h1-7,10,13-14H
          C1(C=CC2(=C(C=1)OC3(C(O2)(O)C(O)C=CC=3)))
CPD-926                InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
          c1(c2(c(ccc1)oc3(c2cccc3)))
CPD-927                InChI=1/C12H10O3/c13-10-6-2-1-4-8(10)9-5-3-7-11(14)12(9)15/h1-7,13-15H
          c1(c(c(O)ccc1)c2(c(O)c(O)ccc2))
CPD-928                InChI=1/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)
          C(=O)(O)C(O)=CC=CC(=O)c1(ccccc1)
CPD-94                 InChI=1/C10H14O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h4-5,7,11-12H,2-3,6H2,1H3
          C(O)CCc1(cc(OC)c(O)cc1)
CPD-941                InChI=1/C13H25NO2S2/c1-3-10(2)13(16)18-9-8-11(17)6-4-5-7-12(14)15/h10-11,17H,3-9H2,1-2H3,(H2
          CCC(C)C(=O)SCCC(S)CCCCC(=O)N
CPD-942                InChI=1/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
          C12(=C(C=CC=C1)SC3(=C2C=CC=C3))
CPD-943                InChI=1/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
          C12(=C(C=CC=C1)C3(=C(S(=O)2)C=CC=C3))
CPD-944                InChI=1/C12H8O2S/c13-15(14)11-7-3-1-5-9(11)10-6-2-4-8-12(10)15/h1-8H
          C12(=C(C=CC=C1)C3(=C(S(=O)(=O)2)C=CC=C3))
CPD-945                InChI=1/C12H10O3S/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)16(14)15/h1-8,13H,(H,14,15)
          C1(C(S(O)=O)=C(C=CC=1)C2(C(O)=CC=CC=2))
CPD-946                InChI=1/C12H10O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H
          C1(=C(C=CC=C1)C2(=CC=CC=C2))(O)
                    InChI=1/C8H16N2O4/c1-6(11)10(14)5-3-2-4-7(9)8(12)13/h7,14H,2-5,9H2,1H3,(H,12,13)
CPD-961 CC(=O)N(O)CCCCC(N)C(O)=O
                    InChI=1/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3
CPD-962 CC1(C=NC2(=C(C=1)C=CC=C2))
                    InChI=1/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)
CPD-963 CC1(C(=O)[NH]C2(=C(C=1)C=CC=C2))
                    InChI=1/C10H11NO3/c1-5-4-6-7(11-10(5)14)2-3-8(12)9(6)13/h2-4,8-9,12-13H,1H3,(H,11,14)
CPD-981 CC1(C(=O)[NH]C2(=C(C=1)C(O)C(O)C=C2))
                    InChI=1/C10H9NO3/c1-5-4-6-7(11-10(5)14)2-3-8(12)9(6)13/h2-4,12-13H,1H3,(H,11,14)
CPD-982 CC1(C(=O)[NH]C2(=C(C=1)C(O)=C(O)C=C2))
                    InChI=1/C10H9NO5/c1-5-4-8(13)6(11-9(5)14)2-3-7(12)10(15)16/h2-4,13H,1H3,(H,11,14)(H,15,16)
CPD-983 C(=O)(O)C(=O)C=CC1(=C(O)C=C(C)C([NH]1)=O)
                    InChI=1/C6H8NO3/c1-3-2-4(8)6(10)7-5(3)9/h2,7-10H,1H3
CPD-984 C1(C(C)=CC(O)=C(O)[NH]=1)(O)
                    InChI=1/C9H14N3O9P/c13-6-4(2-20-22(17,18)19)21-8(7(6)14)12-3-10-1-5(12)11-9(15)16/h1,3-4,6-8,1
CPD0-181 C(OP(O)(=O)O)C1(OC(C(O)C(O)1)n2(c(NC(=O)[O-1])cnc2))
                    InChI=1/C12H21NO4S2/c13-10(14)4-2-1-3-9(7-8-18)19-12(17)6-5-11(15)16/h9,18H,1-8H2,(H2,13,14)(
CPD0-341 C(S)CC(CCCCC(=O)N)SC(=O)CCC(O)=O
                    InChI=1/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
CPD0-441 C(P(O)(=O)O)CCN(O)[CH]=O
                    InChI=1/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,1
CPD0-889 C(O)(=O)CCC(C(=O)O)NC(=O)c1(ccc(N)cc1)
                    InChI=1/C6H9NO2/c1-2-7-5(8)3-4-6(7)9/h2-4H2,1H3
CPD0-903 CCN1(C(=O)CCC(=O)1)
                    InChI=1/C14H15N3O2/c1-8(12-13(18)17-14(15-2)19-12)10-7-16-11-6-4-3-5-9(10)11/h3-8,12,16H,1-2H
CPD0-920 c2(c(C(C)C1(OC(NC)=NC1=O))c3(c([nH]2)cccc3))
                    InChI=1/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)
CPD0-922 c1(c(CC(N)C(O)=O)c2(c([nH]1)cccc(F)2))
                    InChI=1/C40H56/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(
CPD1F-114 CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
                    InChI=1/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(
CPD1F-115 CC(C=CC1(C(C)=CCCC(C)(C)1))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
                    InChI=1/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-
CPD1F-118 CC1(C(=C(C)CCC1)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)(C)CCC=C(C)2))(C)
                    InChI=1/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-
CPD1F-119 CC1(C(=C(C)CC(O)C1)C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)(C)CC(O)C=C(C)2))(C)
                    InChI=1/C20H26O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)2
CPD1F-120 CC1([CH]4(C(CCC1)(C=O)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
                    InChI=1/C40H56/c1-32(2)18-13-21-35(5)24-15-26-36(6)25-14-22-33(3)19-11-12-20-34(4)23-16-27-37(
CPD1F-126 CC(C=CC1(=C(C)CCCC(C)(C)1))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C
                    InChI=1/C20H32/c1-14-12-20-11-8-16-18(2,3)9-5-10-19(16,4)17(20)7-6-15(14)13-20/h15-17H,1,5-13H
CPD1F-128 CC1([CH]2(C(CCC1)(C)[CH]4(C3(CC2)(CC(C(=C)C3)CC4))))(C)
                    InChI=1/C40H56/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-
CPD1F-129 CC(C=CC1(=C(C)CCCC(C)(C)1))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)(C)CCCC(C)=2)
                    InChI=1/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-
CPD1F-130 CC(C=CC1(=C(C)CC(O)CC(C)(C)1))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC2(C(C)(C)CC(O)CC(C)=2)
                    InChI=1/C40H56O3/c1-29(17-13-19-31(3)21-22-36-33(5)25-34(41)26-37(36,6)7)15-11-12-16-30(2)18-
CPD1F-131 CC(C=CC12(C(C)(C)CC(O)CC(C)(O1)2))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC3(C(C)(C)CC(O)CC(C)=3)
                    InChI=1/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16
CPD1F-132 CC1([CH]2(C(CCC1)(C)[CH]4(C3(CC2)(CC(C(=C)C3)CC4))))(C(=O)O)
                    InChI=1/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30
CPD1F-133 CC(C=CC12(C(C)(C)CC(O)CC(C)(O1)2))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC34(C(C)(O3)CC(O)CC(C)(C)4)
                    InChI=1/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h
CPD1F-134 C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(CCC3)(C)[CH]4C5C(=O)O))))
                    InChI=1/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)1
CPD1F-135 CC(C=C=C1(C(C)(O)CC(O)CC(C)(C)1))=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC23(C(C)(O2)CC(O)CC(C)(C)3)
                    InChI=1/C20H30O3/c1-12-10-20-11-13(12)5-6-14(20)18(2)7-4-8-19(3,17(22)23)15(18)9-16(20)21/h13
CPD1F-136 CC1([CH]2(C(CCC1)(C)[CH]4(C3(C(O)C2)(CC(C(=C)C3)CC4))))(C(=O)O)
                    InChI=1/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22
CPD1F-137 C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(C(O)CC3)(C)[CH]4C5C(=O)O))))
                    InChI=1/C20H28O3/c1-12-9-20-10-13(12)5-6-15(20)18(2)7-4-8-19(3,17(22)23)16(18)14(20)11-21/h11
CPD1F-138 CC1([CH]4(C(CCC1)(C)[CH]3(C2(CC(C(=C)C2)CC3)(C4C=O))))(C(=O)O)
                    InChI=1/C19H24O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21
CPD1F-139 C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(C(O)CC3)(C)[CH]4C5C(=O)O)))(O))
                    InChI=1/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)2
CPD1F-140 C=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(CCC3)(C)[CH]4C5C(=O)O)))(O))
                    InChI=1/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3
CPD1F-2 CCC=CC[CH]1([CH](CC(=O)OC)CCC(=O)1)
                    InChI=1/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-23-24(4,5)16-22(27)17-25(23,6)2
CPD1F-4 CC(=CC=CC=C(C)CO)C=CC=C(C)C=C=C1(C(C)(C)CC(O)CC(C)(O)1)
                    InChI=1/C27H30O15/c1-9-17(31)20(34)22(36)26(38-9)39-12-6-13(30)16-14(7-12)40-24(10-2-4-11(29)
CPD1F-420 C1(OC(CO)C(O)C(O)C(O)1)Oc2(c(=O)c4(c(oc2c3(ccc(O)cc3))cc(cc(O)4)OC5(C(O)C(O)C(O)C(C)O5)))
                    InChI=1/C33H40O20/c1-10-19(37)23(41)27(45)32(48-10)49-13-6-14(36)18-15(7-13)50-29(11-2-4-12(3
CPD1F-431 C1(OC(C(O)C(O)C(O)1)COC2(OC(CO)C(O)C(O)C(O)2))Oc3(c(=O)c5(c(oc3c4(ccc(O)cc4))cc(cc(O)5)OC6(C(O)C(O)C(O)C
                    InChI=1/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-
CPD1F-437 C(O)C1(OC(C(O)C(O)C1O)Oc3(c(c2(cc(O)c(O)cc2))oc4(c(c3=O)c(O)cc(c4)O)))
                    InChI=1/C21H20O11/c22-7-13-15(26)17(28)18(29)21(31-13)32-20-16(27)14-11(25)5-10(24)6-12(14)30
CPD1F-453 C(O)C1(OC(C(O)C(O)C1O)Oc3(c(c2(ccc(O)cc2))oc4(c(c3=O)c(O)cc(c4)O)))
                    InChI=1/C21H20O10/c1-8-15(25)17(27)18(28)21(29-8)31-20-16(26)14-12(24)6-11(23)7-13(14)30-19(2
CPD1F-461 C1(OC(C)C(O)C(O)C(O)1)Oc3(c(c2(ccc(O)cc2))oc4(c(c3=O)c(O)cc(O)c4))
                    InChI=1/C27H30O14/c1-9-17(30)20(33)22(35)26(37-9)39-13-7-14(29)16-15(8-13)40-24(11-3-5-12(28)
CPD1F-462 C1(OC(C)C(O)C(O)C(O)1)Oc2(c(=O)c4(c(oc2c3(ccc(O)cc3))cc(cc(O)4)OC5(C(O)C(O)C(O)C(C)O5)))
                    InChI=1/C21H21O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(1
CPD1F-766 C1(OC(CO)C(O)C(O)C(O)1)OC3(C(c2(ccc(O)c(O)c2))=Oc4(c(C=3)c(O)cc(O)c4))
                    InChI=1/C20H26O6/c1-10-8-19-9-11(10)4-5-12(19)20(17(25)26)7-3-6-18(2,16(23)24)14(20)13(19)15(2
CPD1F-84 CC1([CH]4(C(CCC1)(C(=O)O)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
                    InChI=1/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)1
CPD1F-86 CC1([CH]4(C(CCC1)(C(=O)O)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
                    InChI=1/C15H10O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,16-18,20H
CPD1F-90 c1(O)(ccc(cc1)C2(=C(O)C(=O)c3(c(O2)cc(O)cc3O)))
                    InChI=1/C15H20O3/c1-11(6-8-16)5-7-15-13(2,3)9-12(17)10-14(15,4)18-15/h5-8H,9-10H2,1-4H3
CPD1F-92 CC(=CC=O)C=CC12(C(C)(O1)CC(=O)CC(C)(C)2)
                    InChI=1/C21H38O7P2/c1-15(14-17(3)27-30(25,26)28-29(22,23)24)8-10-18-16(2)9-11-19-20(4,5)12-7-1
CPD1F-93 CC1([CH]2(C(CCC1)(C)[CH](C(=C)CC2)CCC(C)=CC(C)OP(O)(=O)OP(O)(=O)O))(C)
                     InChI=1/C20H28O4/c1-11-9-20-10-12(11)5-6-13(20)18(2)7-4-8-19(3,17(23)24)15(18)14(20)16(21)22/h
CPD1F-95 CC1([CH]4(C(CCC1)(C)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
                     InChI=1/C20H26O6/c1-11-8-19-9-20(11,26)7-4-12(19)18(10-21)6-3-5-17(2,16(24)25)14(18)13(19)15(2
CPD1F-96 CC1([CH]4(C(CCC1)(C=O)[CH]3(C2(CC(C(=C)C2)(O)CC3)(C4C(=O)O))))(C(=O)O)
                     InChI=1/C20H28O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)2
CPD1F-97 CC1([CH]4(C(CCC1)(CO)[CH]3(C2(CC(C(=C)C2)CC3)(C4C(=O)O))))(C(=O)O)
                     InChI=1/C40H60/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(
CPD1F-98 CC(C)=CCCC(C)=CCCC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
                     InChI=1/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14
CPD1G-0 C1(OC(CO)C(O)C(O)C([N+1])1)OC2(C(O)C(O)C(O)C(O)C2O)
                     InChI=1/C14H25NO11/c1-3(17)15-5-7(19)6(18)4(2-16)25-14(5)26-13-11(23)9(21)8(20)10(22)12(13)24
CPD1G-1 CC(=O)NC1(C(OC(CO)C(O)C1O)OC2(C(O)C(O)C(O)C(O)C2O))
                     InChI=1/C15H28N2O11S/c16-3(2-29)14(26)17-5-7(20)6(19)4(1-18)27-15(5)28-13-11(24)9(22)8(21)10(
CPD1G-120C(O)C1(OC(C(C(O)C1O)NC(=O)C(N)CS)OC2(C(O)C(O)C(O)C(O)C2O))
                     InChI=1/C18H30N2O13S/c1-5(23)19-6(3-34-4-22)17(31)20-8-10(25)9(24)7(2-21)32-18(8)33-16-14(29)
CPD1G-121CC(=O)NC(CS[CH]=O)C(=O)NC1(C(OC(CO)C(O)C(O)1)OC2(C(O)C(O)C(O)C(O)C2O))
                     InChI=1/C27H40N4O14S/c1-8-10(3)30-13(9(2)26(43)31(30)25(8)42)7-46-6-12(28-11(4)33)24(41)29-15
CPD1G-130CC(=O)N[CH](CSCc1(n2(n(c(=O)c1C)c(=O)c(C)c2C)))C(=O)NC3(C(OC(CO)C(O)C3O)OC4(C(O)C(O)C(O)C(O)C4O))
                     InChI=1/C10H11BrN2O2/c1-5-7(3)12-8(4-11)6(2)10(15)13(12)9(5)14/h4H2,1-3H3
CPD1G-159c1(n2(n(c(C)c(C)1)c(CBr)c(C)c(=O)2))(=O)
                     InChI=1/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)
CPD1G-185CC(=O)NC(C(O)=O)CS
                     InChI=1/C17H30N2O12S/c1-4(21)18-5(3-32)16(29)19-7-9(23)8(22)6(2-20)30-17(7)31-15-13(27)11(25)
CPD1G-2 CC(=O)N[CH](CS)C(=O)NC1(C(OC(CO)C(O)C1O)OC2(C(O)C(O)C(O)C(O)C2O))
                     InChI=1/C10H8O4/c11-9(12)10(13)6-5-7-3-1-2-4-8(7)14-10/h1-6,13H,(H,11,12)
CPDN-384 C(=O)(O)C1(O)(Oc2(c(C=C1)cccc2))
                     InChI=1/C10H8O4/c11-8-4-2-1-3-7(8)5-6-9(12)10(13)14/h1-6,11H,(H,13,14)
CPDN-385 C(=O)(O)C(=O)C=Cc1(c(O)cccc1)
                     InChI=1/C4H9N3O2/c1-7(4(5)6)2-3(8)9/h2H2,1H3,(H3,5,6)(H,8,9)
CREATINE C(O)(=O)CN(C)C(=N)N
                     InChI=1/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
CREATINE-PC(=O)(O)CN(C)C(=N)NP(O)(O)=O
CREATININE           InChI=1/C4H7N3O/c1-7-2-3(8)6-4(7)5/h2H2,1H3,(H2,5,6,8)
          C1(CN(C)C(N1)=N)(=O)
          CCCCCC#CCC=CCCCCCCCC(O)=O
CREPENYNATE          InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-5,8,11-17H2,1H3
          C
CROTONATE (O)(=O)C=CCInChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)
          C([N+1](C)(C)C)C=CC(=O)[O-1]
CROTONO-BETAINE InChI=1/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3
          C(NCCC(=O)NCCSC(=O)C=CC[N+1](C)(C)C)(=O)C(O)C(C)(C)COP(O)(=O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n2(c
CROTONOBETAINYL-COA  InChI=1/C28H47N8O17P3S/c1-28(2,23(40)26(41)31-9-8-18(37)30-10-12-57-19(38)7-6-11-36(3,4)5)14-
          C1(OC(C(C(O)1)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C=CC)(n2(c3(c(nc2)c(N
CROTONYL-COA         InChI=1/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)
CTP                  InChI=1/C9H17N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-2
          c1(n(c(=O)nc(c1)N)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O))
CU+       [Cu+1]     InChI=1/Cu/q+1
CU+2      [Cu+2]     InChI=1/Cu/q+2
CUCL2     Cl[Cu]Cl InChI=1/2ClH.Cu/h2*1H;/q;;+2/p-2
                     InChI=1/C14H22N4O2/c19-13(17-15-11-7-3-1-4-8-11)14(20)18-16-12-9-5-2-6-10-12/h1-10H2,(H,17,19
CUPRIZONEC(=O)(NN=C1(CCCCC1))C(=O)NN=C2(CCCCC2)
CUSO4                InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
          O=S([O-1])([O-1])=O
          C1(OC(C(O)C(O)C(O)1)COC2(C(O)C(O)C(O)C(C)O2))OC3(=Cc5(c(O=C3c4(cc(O)c(O)cc4))cc(O)cc5OC6(OC(CO)C(O)C(O
                     InChI=1/C33H41O20/c1-10-21(38)24(41)27(44)31(48-10)47-9-20-23(40)26(43)29(46)33(53-20)51-18-7
CYANIDIN-3-O-D-RHAMNOSYL-16-D-GLUCOS
          CC1(OC(C(O)C(O)C1O)OCC2(OC(C(O)C(O)C2O)Oc4(c(c3(cc(O)c(O)cc3))[o+1]c5(c(c4)c(O)cc(c5)O))))
                     InChI=1/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-1
CYANIDIN-3-O-RHAMNOSYLGLUCOSIDE
          C1(=NC(O)=NC(=N1)O)(O)
CYANURIC-ACID        InChI=1/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)
                     InChI=1/C8H16N2O7/c1-10(15)9-3-16-8-7(14)6(13)5(12)4(2-11)17-8/h4-8,11-14H,2-3H2,1H3
CYCASIN C(O)C1(OC(C(O)C(O)C1O)OCN=N(=O)C)
          CC(C)=CCCC(C)C1(C5(C)(C(C)(CC1)C2(C4(C3([CH](CC2)C(C)(C)C(O)CC3)(C4))(CC5))))
CYCLOARTENOL         InChI=1/C30H50O/c1-20(2)9-8-10-21(3)22-13-15-28(7)24-12-11-23-26(4,5)25(31)14-16-29(23)19-30(2
          CC(C)C(=C)CCC(C)C1(C5(C)(C(C)(CC1)C2(C4(C3([CH](CC2)C(C)C(O)CC3)(C4))(CC5))))
CYCLOEUCALENOL       InChI=1/C30H50O/c1-19(2)20(3)8-9-21(4)23-12-14-28(7)26-11-10-24-22(5)25(31)13-15-29(24)18-30(2
          C(NCCSC(=O)C1(C(O)C(O)C=CC=1))(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC2(OC(C(O)C2OP(O)(=O)O)n3
                     InChI=1/C28H42N7O19P3S/c1-28(2,22(40)25(41)31-7-6-17(37)30-8-9-58-27(42)14-4-3-5-15(36)19(14)
CYCLOHEX-13-DIENE-56-DIHYDROXY-1-CARBO
          C(C1(OC(C(O)C1OP(O)(O)=O)n2(c3(c(nc2)c(N)ncn3))))OP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O
                     InChI=1/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-
CYCLOHEXA-15-DIENE-1-CARBONYL-COA
          c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C4
                     InChI=1/C28H42N7O17P3S/c1-28(2,22(38)25(39)31-9-8-18(36)30-10-11-56-27(40)16-6-4-3-5-7-16)13-
CYCLOHEXA-15-DIENECARBONYL-COA
          C1(CC(=O)CCC1)(=O)
CYCLOHEXANE-13-DIONE InChI=1/C6H8O2/c7-5-2-1-3-6(8)4-5/h1-4H2
          C1(CCCC(C1)O)
CYCLOHEXANOL         InChI=1/C6H12O/c7-6-4-2-1-3-5-6/h6-7H,1-5H2
          C1(CCCC(C1)=O)
CYCLOHEXANONE        InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
          [C-1]#[N+1]C1(CCCCC1)
CYCLOHEXYL-ISOCYANIDEInChI=1/C7H11N/c1-8-7-5-3-2-4-6-7/h7H,2-6H2
          C1(CCCC1)(O)
CYCLOPENTANOL        InChI=1/C5H10O/c6-5-3-1-2-4-5/h5-6H,1-4H2
          C1(CCCC1)(=O)
CYCLOPENTANONE       InChI=1/C5H8O/c6-5-3-1-2-4-5/h1-4H2
          CC[CH](C)C1(=NC2(N(C1=O)C=C(NC=2CCCNC(N)=N)c3(c4(c([nH]c3)cccc4))))
CYPRIDINA-LUCIFERIN InChI=1/C22H27N7O/c1-3-13(2)19-21(30)29-12-18(15-11-26-16-8-5-4-7-14(15)16)27-17(20(29)28-19)
CYS                  InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
          C(S)C(N)C(O)=O
                     InChI=1/C5H10N2O3S/c6-3(2-11)5(10)7-1-4(8)9/h3,11H,1-2,6H2,(H,7,10)(H,8,9)
CYS-GLY C(O)(=O)CNC(=O)C(N)CS
                     InChI=1/C6H12N2O4S2/c7-3(5(9)10)1-13-14-2-4(8)6(11)12/h3-4H,1-2,7-8H2,(H,9,10)(H,11,12)
CYSTINE C(C(N)C(=O)O)SSCC(N)C(O)=O
                     InChI=1/C9H14N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H3,10,
CYTIDINE [CH]1(O[CH](CO)[CH](O)[CH](O)1)n2(c(=O)nc(N)cc2)
                     InChI=1/C4H6N3O/c5-3-1-2-6-4(8)7-3/h1-2,6H,(H3,5,7,8)
CYTOSINE c1(N)(cc[nH]c(n1)=O)
CoM                  InChI=1/C2H6O3S2/c3-7(4,5)2-1-6/h6H,1-2H2,(H,3,4,5)
          C(S)CS(=O)(O)=O
          C(=N)(N)NC1(C(O)C(O)C(O)C(=O)C1O)
                     InChI=1/C7H13N3O5/c8-7(9)10-1-2(11)4(13)6(15)5(14)3(1)12/h1-4,6,11-13,15H,(H4,8,9,10)
D-1-GUANIDINO-1-DEOXY-3-DEHYDRO-SCYLLO-I
          C(=N)(N)NC1(C(O)C(O)C(O)C(N)C1O)
                     InChI=1/C7H16N4O4/c8-1-3(12)2(11-7(9)10)5(14)6(15)4(1)13/h1-6,12-15H,8H2,(H4,9,10,11)
D-1-GUANIDINO-3-AMINO-13-DIDEOXY-SCYLLO
          C1(NC(=O)C(N)CCC1)
                     InChI=1/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)
D-2-AMINO-HEXANO-6-LACTAM
          C(O)(=O)CC(C)O
D-3-HYDROXY-BUTYRATE InChI=1/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
          C(O)(=O)C(O)CC(=O)C(=O)O
                     InChI=1/C5H6O6/c6-2(4(8)9)1-3(7)5(10)11/h2,6H,1H2,(H,8,9)(H,10,11)
D-4-HYDROXY-2-KETO-GLUTARATE
          C(=O)(O)C(N)c1(ccc(O)cc1)
                     InChI=1/C8H9NO3/c9-7(8(11)12)5-1-3-6(10)4-2-5/h1-4,7,10H,9H2,(H,11,12)
D-4-HYDROXYPHENYLGLYCINE
          [CH]1([CH]([OH])[CH]([OH])[CH]([OH])[CH]([OH])[CH]([OH])1)(O[CH3])
                     InChI=1/C7H14O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-12H,1H3
D-5-O-METHYL-CHIRO-INOSITOL
          C(OP(O)(=O)O)[CH]1([CH](O)[CH](O)[CH](O)C(=O)O1)
                     InChI=1/C6H11O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-5,7-9H,1H2,(H2,11,12,13)
D-6-P-GLUCONO-DELTA-LACTONE
          C          InChI=1/C6H12N2O3/c1-3(7)5(9)8-4(2)6(10)11/h3-4H,7H2,1-2H3,(H,8,9)(H,10,11)
D-ALA-D-ALAC(N)C(=O)NC(C)C(O)=O
                     InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
D-ALANINE C(O)(=O)C(N)C
          C(O)C1(C(O)C(O)C(O)C(O1)=O)
D-ALDONOLACTONE InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2
          C(OP(O)(O)=O)[CH]1([CH](O)[CH](O)[CH](O)[CH](O)O1)
D-ALLOSE-6-PHOSPHATE InChI=1/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)
          C(O)C(=O)[CH](O)[CH](O)[CH](O)COP(O)(O)=O
                     InChI=1/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)
D-ALLULOSE-6-PHOSPHATE
          C(=O)(O)[CH](O)[CH](O)[CH](O)[CH](O)CO
D-ALTRONATE          InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)
          [CH2]1([CH](O)[CH](O)[CH](O)[CH](O1)O)
D-ARABINOSE          InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
          C([N+1](C)(C)C)C(O)CC([O-1])=O
D-CARNITINE          InChI=1/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3
          C([N+1](C)(C)C)C(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC1(OC(C(O)C1OP(O)(=O)O)n2
D-CARNITINYL-COA     InChI=1/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)
                     InChI=1/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
D-CYSTEINEC(=O)(O)C(N)CS
          C(O)C(O)C(O)CO
D-ERYTHRITOL         InChI=1/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2
          C(O)C(O)C(O)COP(=O)(O)O
D-ERYTHRITOL-4P      InChI=1/C4H11O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3-7H,1-2H2,(H2,8,9,10)
          C(OP(O)(=O)O)C(O)C(O)c1(c[nH]cn1)
                     InChI=1/C6H11N2O6P/c9-5(2-14-15(11,12)13)6(10)4-1-7-3-8-4/h1,3,5-6,9-10H,2H2,(H,7,8)(H2,11,12,1
D-ERYTHRO-IMIDAZOLE-GLYCEROL-P
          C(O)C(=O)C(O)CO
D-ERYTHRULOSE        InChI=1/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2
D-FUCONATE           InChI=1/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)
          CC(O)C(O)C(O)C(O)C(O)=O
          C(=O)(O)C(O)C(O)C(O)C(O)C(O)=O
D-GALACTARATE        InChI=1/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)
          C(O)[CH](O)[CH](O)[CH](O)[CH](O)C(O)=O
D-GALACTONATE        InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)
          C1(OC(C(O)CO)C(O)C(O)1)(=O)
                     InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2
D-GALACTONO-1,4-LACTONE
          C(OP(O)(O)=O)C1(C(O)C(O)C(N)C(O1)O)
                     InChI=1/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)
D-GALACTOSAMINE-6-PHOSPHATE
          C1(OC(C(=O)O)C(O)C(O)C(O)1)(O)
D-GALACTURONATE InChI=1/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)
D-GLT                InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
          C(=O)(O)CCC(N)C(O)=O
          C(=O)(O)C(O)C(O)C(O)C(O)C(O)=O
D-GLUCARATE          InChI=1/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)
          C(OP(O)(O)=O)C1(C(O)C(O)C(N)C(O1)O)
D-GLUCOSAMINE-6-P InChI=1/C6H14NO8P/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)
          C(O)C1(OC(C(O)C(O)C1O)Nc2(ccccc2))
D-GLUCOSYLARYLAMINE  InChI=1/C12H17NO5/c14-6-8-9(15)10(16)11(17)12(18-8)13-7-4-2-1-3-5-7/h1-5,8-17H,6H2
          C1(OC([CH](O)[CH](O)1)C(O)C=O)(=O)
D-GLUCURONOLACTONE   InChI=1/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h1-5,8-10H
          C(O)C1(O)(C(O)C(O)COC1O)
D-HAMAMELOSE         InChI=1/C6H12O6/c7-2-6(11)4(9)3(8)1-12-5(6)10/h3-5,7-11H,1-2H2
          C(O)C1(OP(O)(O)=O)(C(O)C(O)COC1O)
                     InChI=1/C6H13O9P/c7-2-6(15-16(11,12)13)4(9)3(8)1-14-5(6)10/h3-5,7-10H,1-2H2,(H2,11,12,13)
D-HAMAMELOSE-2-PHOSPHATE
          C(OP(O)(O)=O)C1(C(O)C(O)C(O)C(O1)O)
D-HEXOSE-6-PHOSPHATE InChI=1/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)
                     InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
D-LACTATE C(O)(=O)[CH](O)C
          C([CH]1(O[CH]([CH](O)[CH]1OP(=O)(O)O)n2(c3(c(nc2)c(N)ncn3))))OP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=
D-LACTOYL-COA        InChI=1/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44
          C(=O)(O)[CH](O)[CH](O)[CH](O)[CH](O)CO
D-MANNONATE          InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)O
                     InChI=1/C61H101O9P/c1-46(2)23-13-24-47(3)25-14-26-48(4)27-15-28-49(5)29-16-30-50(6)31-17-32-5
D-MANNOSYL-1-PHOSPHOUNDECAPRENOL
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
D-METHYL-MALONYL-COA InChI=1/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54
          C1(C(O)C(OP(O)([O-1])=O)C(O)C(O)C(O)1)(O)
                     InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-1
D-MYO-INOSITOL-1-MONOPHOSPHATE
          C1(C(O)C(OP(O)([O-1])=O)C(O)C(O)C(O)1)(OP(O)([O-1])=O)
                     InChI=1/C6H14O12P2/c7-1-2(8)5(17-19(11,12)13)4(10)6(3(1)9)18-20(14,15)16/h1-10H,(H2,11,12,13)(
D-MYO-INOSITOL-13-BISPHOSPHATE
          C1(C(OP(O)([O-1])=O)C(O)C(O)C(O)C(O)1)(OP(O)([O-1])=O)
                     InChI=1/C6H14O12P2/c7-1-2(8)4(10)6(18-20(14,15)16)5(3(1)9)17-19(11,12)13/h1-10H,(H2,11,12,13)(
D-MYO-INOSITOL-34-BISPHOSPHATE
          C1(O)(C(O)C(O)C(C(O)C1O)OP(O)(O)=O)
                     InChI=1/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)
D-MYO-INOSITOL-4-PHOSPHATE
          C(O)(=O)C(C)OP(O)(=O)O
D-PHOSPHOLACTATE InChI=1/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)
                     InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
D-PROLINE C(O)(=O)[CH]1(NCCC1)
          C(O)C(O)C(O)C(=O)COP(O)(O)=O
D-RIBULOSE-1-P       InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h3,5-7,9H,1-2H2,(H2,10,11,12)
          C(OP(O)(=O)O)C(O)C(O)C(O)C(O)C(=O)CO
D-SEDOHEPTULOSE-7-P  InChI=1/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16
                     InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
D-SERINE C(O)C(N)C(=O)O
          C(O)C(O)C(O)C(O)C(O)COP(O)(=O)O
D-SORBITOL-6-P       InChI=1/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)
          C(O)(=O)[CH](O)[CH](O)[CH](O)C(=O)CO
D-TAGATURONATE       InChI=1/C6H10O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h3-5,7,9-11H,1H2,(H,12,13)
          C          InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
D-TARTRATE (=O)(O)[CH](O)[CH](O)C(O)=O
          CC(O)C(N)C(=O)O
D-THREONINE          InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
          c1(c(CC(N)C(O)=O)c2(c(n1)cccc2))
D-TRYPTOPHAN         InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
D-TYROSINE           InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
          C(=O)(O)C(N)Cc1(ccc(O)cc1)
          C          InChI=1/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)
D-XYLONATE(O)C(O)C(O)C(O)C(=O)O
          C(O)C1(C(O)C(O)C(O1)=O)
D-XYLONO-14-LACTONE  InChI=1/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2
D-XYLULOSE           InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2
          C(O)C(O)C(O)C(=O)CO
          C(O)(=O)C1(NC(C(=O)O)CCC1)
                     InChI=1/C7H11NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4-5,8H,1-3H2,(H,9,10)(H,11,12)
D1-PIPERIDINE-DICARBOXYLATE
DADP                 InChI=1/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18
          C(OP(O)(=O)OP(O)(=O)O)C1(OC(CC(O)1)n2(c3(c(nc2)c(N)ncn3)))
                     InChI=1/C15H10O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-8,16-17H
DAIDZEIN C2(=C(c1(ccc(O)cc1))C(=O)c3(c(O2)cc(O)cc3))
DAMP                 InChI=1/C10H14N5O6P/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(21-7)2-20-22(17,18)19/h3-7,16H,
          C(OP(O)(=O)O)C1(OC(CC(O)1)n2(c3(c(nc2)c(N)ncn3)))
DAP                  InChI=1/C5H7N3/c6-4-2-1-3-5(7)8-4/h1-3H,(H4,6,7,8)
          c1(N)(nc(N)ccc1)
                     InChI=1/C15H16O9/c16-5-8-10(18)12(20)13(21)15(23-8)22-7-3-1-6-2-4-9(17)24-14(6)11(7)19/h1-4,8,1
DAPHNIN C(O)C1(OC(C(O)C(O)C1O)Oc2(c(O)c3(c(cc2)ccc(o3)=O)))
DATP                 InChI=1/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,2
          C(OP(O)(=O)OP(O)(=O)OP(O)(O)=O)C1(OC(CC(O)1)n2(c3(c(nc2)c(N)ncn3)))
DCDP                 InChI=1/C9H16N3O10P2/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(21-8)4-20-24(18,19)22-23(15,16)17/h1-2
          c1(n(c(=O)nc(N)c1)C2(OC(C(O)C2)COP(O)(=O)OP(O)(O)=O))
DCMP                 InChI=1/C9H15N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H
          c1(n(c(=O)nc(N)c1)C2(OC(C(O)C2)COP(O)(=O)O))
DCPIP                InChI=1/C14H12Cl2N2O/c1-18(2)11-5-3-9(4-6-11)17-10-7-12(15)14(19)13(16)8-10/h3-8H,1-2H3
          C1(C(C=C(Cl)C(=O)C(Cl)=1)=Nc2(ccc(N(C)C)cc2))
DCTP                 InChI=1/C9H17N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(1
          c1(n(c(=O)nc(N)c1)C2(OC(C(O)C2)COP(O)(=O)OP(O)(=O)OP(O)(=O)O))
          C(O)[CH](O)[CH](O)[CH](O)CC(=O)O
DE-O-GLUCONATE       InChI=1/C6H12O6/c7-2-4(9)6(12)3(8)1-5(10)11/h3-4,6-9,12H,1-2H2,(H,10,11)
          C(O)(=O)CC(=O)C(O)C(O)CO
DE-O-K-GLUCONATE InChI=1/C6H10O6/c7-2-4(9)6(12)3(8)1-5(10)11/h4,6-7,9,12H,1-2H2,(H,10,11)
          CC1(=C(C(O)=O)N2([CH](SC1)[CH](C2=O)NC(=O)CCC[CH]([N+1])C(O)=O))
                     InChI=1/C14H19N3O6S/c1-6-5-24-12-9(11(19)17(12)10(6)14(22)23)16-8(18)4-2-3-7(15)13(20)21/h7,9
DEACETOXYCEPHALOSPORIN-C
          CCC15([CH]4(C3([CH](C(C1)(O)C(=O)OC)N(C)c2(cc(OC)ccc23))(CCN4CC=C5)))
DEACETOXYVINDOLINEInChI=1/C23H30N2O4/c1-5-21-9-6-11-25-12-10-22(18(21)25)16-8-7-15(28-3)13-17(16)24(2)19(22)23(
          C(O)C1(=C(C(O)=O)N2([CH](SC1)C(C2=O)NC(=O)CCCC(N)C(O)=O))
                     InChI=1/C14H19N3O7S/c15-7(13(21)22)2-1-3-8(19)16-9-11(20)17-10(14(23)24)6(4-18)5-25-12(9)17/h
DEACETYLCEPHALOSPORIN-C
          C=C[CH]3([CH](C[CH]1(c2(c(CCN1)cc(O)c(c2)O)))C(C(=O)OC)=COC3OC4(C(O)C(O)C(O)C(O4)CO))
DEACETYLIPECOSIDE InChI=1/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(
          C=C[CH]3([CH](C[CH]1(c2(c(CCN1)cc(O)c(c2)O)))C(C(=O)OC)=COC3OC4(C(O)C(O)C(O)C(O4)CO))
DEACETYLISOIPECOSIDE InChI=1/C25H33NO11/c1-3-12-14(7-16-13-8-18(29)17(28)6-11(13)4-5-26-16)15(23(33)34-2)10-35-24(
          C(O)(=O)c1(c[n+1](ccc1)[CH]2(O[CH]([CH](O)[CH](O)2)COP(=O)(O)OP(O)(=O)OC[CH]3(O[CH]([CH](O)[CH]3O)n4(c5(
DEAMIDO-NAD          InChI=1/C21H26N6O15P2/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(31)14(29)11(41-20)6-39-44(36,
          c1(n(c(=O)nc(c1)=O)C2(OC(C(O)=O)C(C=C2)NC(=O)CC(N)CCN(C)C(N)=N))
                     InChI=1/C17H25N7O6/c1-23(16(19)20)6-4-9(18)8-12(26)21-10-2-3-13(30-14(10)15(27)28)24-7-5-11(2
DEAMINOHYDROXYBLASTICIDIN-S
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(O)=O
DECAPRENOL-PHOSPHATE InChI=1/C50H83O4P/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-46
DECOYININE           InChI=1/C11H13N5O4/c1-5-7(18)8(19)11(2-17,20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-4,7-8,17-19H
          C=C1(OC(C(O)C(O)1)(CO)n2(c3(c(nc2)c(N)ncn3)))
          C(=O)(O)C(O)=CC(O)C(C)O
DEHYDFUC-CPD         InChI=1/C6H10O5/c1-3(7)4(8)2-5(9)6(10)11/h2-4,7-9H,1H3,(H,10,11)
          CC(O)C(O)CC(=O)C(O)=O
                     InChI=1/C6H10O5/c1-3(7)4(8)2-5(9)6(10)11/h3-4,7-8H,2H2,1H3,(H,10,11)
DEHYDRO-3-DEOXY-L-RHAMNONATE
          C(OP(O)(O)=O)[CH](O)[CH](O)[CH2]C(=O)C(=O)O
                     InChI=1/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)
DEHYDRO-DEOXY-GALACTONATE-PHOSPHATE
          CC14(C(=O)CCC(C2(C(CC1)C3(C)(C(=CC2)CC(CC3)OS(O)(=O)=O)))4)
                     InChI=1/C19H28O5S/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)
DEHYDRO-EPIANDROSTERONE-SULFATE
          C(=O)(O)C(=C)N
DEHYDROALANINE       InChI=1/C3H5NO2/c1-2(4)3(5)6/h1,4H2,(H,5,6)
          CC13(C(CC(O)CC1)=CCC2(C4(C(C)(CCC23)C(=O)CC4)))
                     InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,2
DEHYDROEPIANDROSTERONE
          C(O)(=O)C1([CH2]C(=O)[CH](O)[CH]([CH2]1)O)(O)
DEHYDROQUINATE       InChI=1/C7H10O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3,5,8,10,13H,1-2H2,(H,11,12)
          CCCCCCCCCCCCCCCC(=O)C(N)CO
DEHYDROSPHINGANINE   InChI=1/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17,20H,2-16,19H2,1H
          CC(C)CCCC(C)CCCC(C)CCCC1(C)(OC2(C(CC1)=CC(O)=CC=2C))
DELTA-TOCOPHEROL InChI=1/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-16-27(6)17-15-24-19-25(28)18-23(5)26(2
          C(O)(=O)C1(=NC(C(=O)O)CCC1)
                     InChI=1/C7H9NO4/c9-6(10)4-2-1-3-5(8-4)7(11)12/h4H,1-3H2,(H,9,10)(H,11,12)
DELTA{1}-PIPERIDEINE-2-6-DICARBOXYLATE
          CCC2(C(COC1(C(O)C(O)C(O)C(C1)C))C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(O2)=O)OC3(C(O)C(N(C)C)C(C(O3)C
DEMETHYLMACROCIN InChI=1/C45H75NO16/c1-11-32-29(21-57-33-18-24(4)37(51)40(54)38(33)52)16-22(2)12-13-30(48)23(
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)c2(c(C(C=1)=O)cccc2))
DEMETHYLMENAQUINONE   InChI=1/C50H70O2/c1-38(2)19-12-20-39(3)21-13-22-40(4)23-14-24-41(5)25-15-26-42(6)27-16-28-43(
          C(O)C1(OC(OP(O)(O)=O)CC1O)
                      InChI=1/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)
DEOXY-D-RIBOSE-1-PHOSPHATE
          [CH]2(n1(cc(CO)c(N)nc(=O)1))(O[CH]([CH]([CH2]2)O)COP(O)(=O)OP(O)(=O)O)
                      InChI=1/C10H18N3O11P2/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(23-8)4-22-26(20,21)24-25(17,18)
DEOXY-HYDROXYMETHYLCYTIDINE-DIP
          [CH]1([CH2][CH](O)[CH](O1)COP(O)(=O)O)n2(c(=O)nc(N)c(c2)CO)
                      InChI=1/C10H17N3O8P/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(21-8)4-20-22(17,18)19/h2,6-8,14-15
DEOXY-HYDROXYMETHYLCYTIDINE-PHOSPHATE
          c1(nc(=O)n(cc(CO)1)[CH]2(O[CH]([CH]([CH2]2)O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O))(N)
                      InChI=1/C10H19N3O14P3/c11-9-5(3-14)2-13(10(16)12-9)8-1-6(15)7(25-8)4-24-29(20,21)27-30(22,23)
DEOXY-OH-METHYLCYTIDINE-TRIPHOSPHATE
          [CH]1(O[CH](CO)[CH](O)[CH2]1)(OP(O)(O)=O)
DEOXY-RIBOSE-1P       InChI=1/C5H11O7P/c6-2-4-3(7)1-5(11-4)12-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)
          C(OP(=O)(O)O)[CH]1([CH](O)[CH2][CH](O)O1)
DEOXY-RIBOSE-5P       InChI=1/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)
          [CH]1([CH2][CH](O)[CH](O1)CO)n2(c3(c(nc2)c(N)ncn3))
DEOXYADENOSINE        InChI=1/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,1
          C(NC(N)=N)CCC(C(O)=O)N1(C(=O)CC1)
                      InChI=1/C9H16N4O3/c10-9(11)12-4-1-2-6(8(15)16)13-5-3-7(13)14/h6H,1-5H2,(H,15,16)(H4,10,11,12)
DEOXYAMIDINOPROCLAVAMINATE
          C(=O)(O)CCC(C)C1(C2(C)(C(CC1)C3(C(CC(O)2)C4(C)(C(CC3)CC(O)CC4))))
DEOXYCHOLATE          InChI=1/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)
          c1(N)(c2(c(ncn1)n(cn2)C3(OC(C(C3O)OP(=O)(O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C
DEOXYCHOLYL-COA InChI=1/C45H74N7O19P3S/c1-24(28-9-10-29-27-8-7-25-18-26(53)12-14-44(25,4)30(27)19-32(54)45(2
          c1(n(c(=O)nc(c1)N)C2(OC(C(C2)O)CO))
DEOXYCYTIDINE         InChI=1/C9H14N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H3,10,1
          c1(c2(c(nc(N)[nH]1)n(cn2)C3(OC(CO)C(O)C3)))(=O)
DEOXYGUANOSINE        InChI=1/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,
          c1(=O)(c2(c(nc[nH]1)n(cn2)[CH]3(O[CH]([CH]([CH2]3)O)CO)))
DEOXYINOSINE          InChI=1/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,1
          C1(C2(C(CC(=O)O1)OC(C)(C)C(CC(O)=O)2)C3(C(C)=C4(C(CC3)(C)C(OC(=O)C4)c5(cocc5))))
DEOXYLIMONATE         InChI=1/C26H32O8/c1-14-16(5-7-25(4)17(14)9-22(30)33-23(25)15-6-8-31-12-15)26-13-32-21(29)11-1
          C(O)C1(C(CC(O)=O)OC(C)(C)C(CC(O)=O)1)C2(C(C)=C3(C(CC2)(C)C(OC(=O)C3)c4(cocc4)))
                      InChI=1/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(2
DEOXYLIMONONIC-ACID-D-RING-LACTONE
          C(O)C1(C(O)CC(O1)=O)
DEOXYRIBONOLACTONE    InChI=1/C5H8O4/c6-2-4-3(7)1-5(8)9-4/h3-4,6-7H,1-2H2
          C(C1(C(O)CC(O1)O))OP(=O)(O)OP(=O)(O)OP(O)(O)=O
                      InChI=1/C5H13O13P3/c6-3-1-5(7)16-4(3)2-15-20(11,12)18-21(13,14)17-19(8,9)10/h3-7H,1-2H2,(H,11,
DEOXYRIBOSE-TRIPHOSPHATE
          c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)CO))
DEOXYURIDINE          InChI=1/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,1
          C(OP(=O)(O)O)C(O)C(O)C(C)=O
DEOXYXYLULOSE-5P InChI=1/C5H11O7P/c1-3(6)5(8)4(7)2-12-13(9,10)11/h4-5,7-8H,2H2,1H3,(H2,9,10,11)
          C(=O)(NCCS)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
DEPHOSPHO-COA         InChI=1/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)3
          CC(=O)NC1(C(C(O)C(OC1O)COS(=O)(O)=O)OC2(C(O)C(O)C(C(O2)C(O)=O)OC3(C(NC(=O)C)C(C(C(O3)CO)OS(=O)(O)=O
DERMATAN-L-IDURONATE  InChI=1/C28H44N2O32S3/c1-5(32)29-9-17(11(34)8(54-25(9)43)4-53-63(44,45)46)56-27-15(38)14(37)1
          Cc1(cc(O)c(c(c1)O)C(=O)c2(c(C(O)=O)cc(O)cc2OC))
DESMETHYLSULOCHRIN    InChI=1/C16H14O7/c1-7-3-10(18)14(11(19)4-7)15(20)13-9(16(21)22)5-8(17)6-12(13)23-2/h3-6,17-19H
          CC(C)=CCCC(C)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2)C4(C)(C(=CC3)CC(O)CC4))))
DESMOSTEROL-CPD InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-2
          C(O)C1(OC(C(O)C(O)C1O)SC(=NO)Cc2(ccccc2))
DESULFOGLUCOTROPEOLIN InChI=1/C14H19NO6S/c16-7-9-11(17)12(18)13(19)14(21-9)22-10(15-20)6-8-4-2-1-3-5-8/h1-5,9,11-14,
          C(=O)(O)CCCCCC1(C(C)NC(N1)=O)
DETHIOBIOTIN          InChI=1/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,1
DFA-III               InChI=1/C11H18O9/c12-1-4-6(14)8-10(18-4)17-3-11(20-8)9(16)7(15)5(2-13)19-11/h4-10,12-16H,1-3H
          C(O)C1(OC2(C(C1O)OC3(CO2)(C(O)C(O)C(O3)CO)))
DGDP                  InChI=1/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(
          C(OP(=O)(O)OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
DGMP                  InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,1
          C(OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
DGTP                  InChI=1/C10H16N5O13P3/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(26-6)2-25-30(21,22)28-31(
          C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
          C1(OC(C(O)C(O)1)COP(=O)(O)OC(=O)c2(c(O)c(O)ccc2))(n3(c4(c(nc3)c(N)ncn4)))
DHBENZOYL-AMP         InChI=1/C17H18N5O10P/c18-14-10-15(20-5-19-14)22(6-21-10)16-13(26)12(25)9(31-16)4-30-33(28,29
          C1(=O)(CC(C(O)=O)NC(N1)=O)
DI-H-OROTATE          InChI=1/C5H6N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h2H,1H2,(H,9,10)(H2,6,7,8,11)
          C           InChI=1/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)
DI-H-URACIL 1(NC(=O)NC(=O)C1)
DIACETYL CC(=O)C(=O)C InChI=1/C4H6O2/c1-3(5)4(2)6/h1-2H3
          c1(=O)(c(N)c(nc([nH]1)N)NC2(OC(C(O)C2O)COP(O)(O)=O))
                      InChI=1/C9H16N5O8P/c10-3-6(13-9(11)14-7(3)17)12-8-5(16)4(15)2(22-8)1-21-23(18,19)20/h2,4-5,8,1
DIAMINO-OH-PHOSPHORIBOSYLAMINO-PYR
          CC(N)C(N)CCCCCC(=O)O
DIAMINONONANOATE InChI=1/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)
          C(Cl)(Cl)=C(c1(ccc(Cl)cc1))c2(ccc(Cl)cc2)
DICHLOROBIS-CPD       InChI=1/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
          [CH](Cl)=[CH]Cl
DICHLOROETHENE        InChI=1/C2H2Cl2/c3-1-2-4/h1-2H
DICOUMAROL            InChI=1/C19H12O6/c20-16-10-5-1-3-7-14(10)24-18(22)12(16)9-13-17(21)11-6-2-4-8-15(11)25-19(13)2
          c1(c(c(O)c2(c(o1)cccc2))Cc3(c(=O)oc4(c(c(O)3)cccc4)))(=O)
          C(=O)(OCC)C(C)C(=O)C(=O)OCC
                      InChI=1/C9H14O5/c1-4-13-8(11)6(3)7(10)9(12)14-5-2/h6H,4-5H2,1-3H3
DIETHYL-2-METHYL-3-OXOSUCCINATE
          CCNCC
DIETHYLAMINE          InChI=1/C4H11N/c1-3-5-4-2/h5H,3-4H2,1-2H3
          C(N)([S-1])=S
DIETHYLDITHIOCARBAMATEInChI=1/CH3NS2/c2-1(3)4/h(H3,2,3,4)/p-1
          C(C)OCC InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
DIETHYLETHER
          C(C)OP(=O)(O)OCC
DIETHYLPHOSPHATE InChI=1/C4H11O4P/c1-3-7-9(5,6)8-4-2/h3-4H2,1-2H3,(H,5,6)
          CCOC(=O)OC(=O)OCC
DIETHYLPYROCARBONATE  InChI=1/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3
          C(C)OP(=S)(O)OCC
DIETHYLTHIOPHOSPHATE  InChI=1/C4H11O3PS/c1-3-6-8(5,9)7-4-2/h3-4H2,1-2H3,(H,5,9)
          CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1(C(C(O)C(O)C(O1)CO)OC2(C(O)C(O)C(O)C(O2)CO))
DIGLUCO-DOCOSANOATE  InChI=1/C34H64O13/c1-2-3-4-5-9-12-15-18-23(19-16-13-10-7-6-8-11-14-17-20-26(37)38)44-34-32(30
          CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1(C(C(O)C(O)C(O1)CO)OC2(OC(COC(=O)C)C(O)C(O)C(O)2))
                     InChI=1/C36H66O14/c1-3-4-5-6-10-13-16-19-25(20-17-14-11-8-7-9-12-15-18-21-28(39)40)47-36-34(3
DIGLUCOACETYL-DOCOSANOATE
          CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1(C(C(O)C(O)C(O1)COC(C)=O)OC2(OC(COC(=O)C)C(O)C(O)C(O)2))
                     InChI=1/C38H68O15/c1-4-5-6-7-11-14-17-20-27(21-18-15-12-9-8-10-13-16-19-22-30(41)42)50-38-36(
DIGLUCODIACETYL-DOCOSANOATE
          C(O)(=O)C1(C(O)C(O)C=CC=1)
DIHYDRO-DIOH-BENZOATEInChI=1/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)
          C(O)C(O)C(O)C1(=Nc2(c(NC1)nc(N)[nH]c2=O))
DIHYDRO-NEO-PTERIN InChI=1/C9H13N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h4,6,15-17H,1-2H2,(H4,10,1
          CCCCCCCCCCCCCCCC(O)C(N)CO
DIHYDRO-SPHINGOSINE  InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,1
          C[CH]1(C(=O)NC(=O)NC1)
DIHYDRO-THYMINE InChI=1/C5H8N2O2/c1-3-2-6-5(9)7-4(3)8/h3H,2H2,1H3,(H2,6,7,8,9)
          C2(=C(c1(ccc(cc1)OC))C(O)c3(c(O2)cc(O)cc3O))
DIHYDROBIOCHANIN-AInChI=1/C16H14O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,16-19H,1
          C3(c1(c(c(OC)cc2(c1OCO2))c4(c(N3C)c5(c(cc4)cc6(c(c5)OCO6)))))
DIHYDROCHELIRUBINE InChI=1/C21H17NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6
          C1(CCc2(c(O1)cccc2))(=O)
DIHYDROCOUMARIN InChI=1/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2
          C(C1(=Nc2(c(NC1)nc(N)[nH]c2=O)))Nc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O)
DIHYDROFOLATE        InChI=1/C19H21N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12
          c1(cc(ccc(O)1)C2(C(O)C(=O)c3(c(O)cc(O)cc(O2)3)))
                     InChI=1/C15H12O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,14-18,20H
DIHYDROKAEMPFEROL-CMPD
          C(S)C[CH](S)CCCCC(=O)N
DIHYDROLIPOAMIDE InChI=1/C8H17NOS2/c9-8(10)4-2-1-3-7(12)5-6-11/h7,11-12H,1-6H2,(H2,9,10)
          C3(c1(c(c(OC)cc2(c1OCO2))c4(c(N3C)c5(c(c(c4)OC)cc6(c(c5)OCO6)))))
DIHYDROMACARPINE InChI=1/C22H19NO6/c1-23-8-14-20(18(25-3)7-19-22(14)29-10-28-19)13-6-15(24-2)11-4-16-17(27-9-2
          C(Oc1(ccc2(c(c1)[NH]c3(c([NH]2)cccc3))))CC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
                     InChI=1/C37H52N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-
DIHYDROMETHANOPHENAZINE
          CC1(C[CH]2([CH](CC1)C(C(C)C=C2)CCC3(OC(=O)CC(C3)O)))
DIHYDROMONACOLIN-L   InChI=1/C19H30O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,12-18
          C2(C(=Nc1(c(=O)nc(N)nc1N2))C(O)C(O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O)
                     InChI=1/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)2
DIHYDROMONAPTERIN-TRIPHOSPHATE
          C2(C(C(O)C(O)COP(O)(O)=O)=Nc1(c(=O)[nH]c(N)nc1N2))
DIHYDRONEOPTERIN-PInChI=1/C9H14N5O7P/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-21-22(18,19)20/h4,6,15-16H,1
          C2(C(=Nc1(c(=O)nc(N)nc1N2))C(O)C(O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O)
DIHYDRONEOPTERIN-P3  InChI=1/C9H16N5O13P3/c10-9-13-7-5(8(17)14-9)12-3(1-11-7)6(16)4(15)2-25-29(21,22)27-30(23,24)2
          C2(C(COP(O)(=O)OP(O)(=O)O)=Nc1(c(O)nc(N)nc1N2))
                     InChI=1/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,1
DIHYDROPTERIN-CH2OH-PP
          C1(N(C)c4(c(c2(c1c3(c(cc2)OCO3)))ccc5(c4cc6(c(c5)OCO6))))
DIHYDROSANGUINARINE  InChI=1/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11
          CC1(CC(=O)O)(C4(NC(C1CCC(=O)O)=Cc2(nc(c(c2CC(O)=O)CCC(=O)O)Cc3(nc(c(CC(=O)O)c3CCC(=O)O)C=C5(C(C)(CC(
                     InChI=1/C42H48N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)4
DIHYDROSIROHYDROCHLORIN
          CCCCCCCCC1(C(C1)CCCCCCCC(O)=O)
DIHYDROSTERCULIC-ACIDInChI=1/C19H36O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h17-18H,2-16H2,1H
          CC1(OC(C(C(CO)1OP(O)(O)=O)OC2(C(NC)C(O)C(O)C(O2)CO))OC3(C(NC(N)=N)C(O)C(NC(N)=N)C(C3O)OP(O)(O)=O))
                     InChI=1/C21H43N7O18P2/c1-5-21(4-30,46-48(38,39)40)16(44-17-9(26-2)12(33)10(31)6(3-29)42-17)18
DIHYDROSTREPTOMYCIN-3-ALPHA-6-BISPHOSPH
          CC1(OC(C(C(O)1CO)OC2(C(NC)C(O)C(O)C(O2)CO))OC3(C(NC(N)=N)C(O)C(NC(N)=N)C(C3O)OP(O)(O)=O))
                     InChI=1/C21H42N7O15P/c1-5-21(35,4-30)16(42-17-9(26-2)12(33)10(31)6(3-29)40-17)18(39-5)41-14-7
DIHYDROSTREPTOMYCIN-6-PHOSPHATE
          [CH]1(O[CH](CO)[CH]([CH2]1)O)N2(C(=O)NC(=O)[CH](C)C2)
DIHYDROTHYMIDINE InChI=1/C10H16N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h5-8,13-14H,2-4H2,1H3,(H,11
          C(O)(=O)C1(O)(C(O)C=C(C(=O)O)C=C1)
                     InChI=1/C8H8O6/c9-5-3-4(6(10)11)1-2-8(5,14)7(12)13/h1-3,5,9,14H,(H,10,11)(H,12,13)
DIHYDROXY-14-DICARBOXY-35-CYCLOHEXDIENE
          C(O)C(=O)COP(O)(=O)O
                     InChI=1/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h4H,1-2H2,(H2,6,7,8)
DIHYDROXY-ACETONE-PHOSPHATE
          CC(=O)C(O)COP(O)(O)=O
DIHYDROXY-BUTANONE-P InChI=1/C4H9O6P/c1-3(5)4(6)2-10-11(7,8)9/h4,6H,2H2,1H3,(H2,7,8,9)
          C(O)C(=O)CO
DIHYDROXYACETONE InChI=1/C3H6O3/c4-1-3(6)2-5/h4-5H,1-2H2
          c1([nH]c2(c(c1)cc(O)c(c2)O))
DIHYDROXYINDOLE InChI=1/C8H7NO2/c10-7-3-5-1-2-9-6(5)4-8(7)11/h1-4,9-11H
          C(=O)(O)c1(c(O)c2(c(c(O)c1)cccc2))
DIHYDROXYNAPHTHOATE  InChI=1/C11H8O4/c12-9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,12-13H,(H,14,15)
          CC(=O)C(=O)C(O)CO
DIHYDROXYPENTANEDIONEInChI=1/C5H8O4/c1-3(7)5(9)4(8)2-6/h4,6,8H,2H2,1H3
          C(=O)C(O)c1(cc(O)c(O)cc1)
                     InChI=1/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H
DIHYDROXYPHENYLGLYCOLALDEHYDE
          C1(=NC=C(O)C(O)=C1)
DIHYDROXYPIRIDIN-CPD InChI=1/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-3,8H,(H,6,7)
          C(=O)(O)C(=O)Cc1(cc(I)c(O)c(I)c1)
                     InChI=1/C9H6I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,13H,3H2,(H,14,15)
DIIODO-4-HYDROXYPHENYLPYRUVATE
          C(=O)(O)C(O)Cc1(cc(I)c(O)c(I)c1)
                     InChI=1/C9H8I2O4/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,12-13H,3H2,(H,14,15)
DIIODO-HYDROXYPHENYL-LACTATE
          C(=O)(O)C(N)Cc1(cc(I)c(O)c(I)c1)
DIIODO-L-TYROSINE InChI=1/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)
          CC(C)OP(=O)(F)OC(C)C
                     InChI=1/C6H14FO3P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3
DIISOPROPYL-FLUOROPHOSPHATE
          CC(C)OP(=O)(O)OC(C)C
DIISOPROPYL-PHOSPHATEInChI=1/C6H15O4P/c1-5(2)9-11(7,8)10-6(3)4/h5-6H,1-4H3,(H,7,8)
          C(=O)C(=O)CCC(=O)O
DIKETOVALERATE       InChI=1/C5H6O4/c6-3-4(7)1-2-5(8)9/h3H,1-2H2,(H,8,9)
          CC(C(=O)OC)=CC(=O)OC
DIMETHYL-CITRACONATE InChI=1/C7H10O4/c1-5(7(9)11-3)4-6(8)10-2/h4H,1-3H3
          CC1(N(CC(O)C(O)C(O)CO)C2(C(=NC(C)=1)C(=O)NC(N=2)=O))
                     InChI=1/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,1
DIMETHYL-D-RIBITYL-LUMAZINE
          C(C(=O)O)N(C)C
DIMETHYL-GLYCINE InChI=1/C4H9NO2/c1-5(2)3-4(6)7/h3H2,1-2H3,(H,6,7)
          CNC
DIMETHYLAMINE        InChI=1/C2H7N/c1-3-2/h3H,1-2H3
          C[As](=O)([O-1])C
DIMETHYLARSINATE InChI=1/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1
          C[As](C)O InChI=1/C2H7AsO/c1-3(2)4/h4H,1-2H3
DIMETHYLARSINOUS-ACID
          Cc1(c(C)cc2(c(c1)nc[nH]2))
DIMETHYLBENZIMIDAZOLEInChI=1/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
          CC(C(O)=O)=C(C)C(O)=O
DIMETHYLMAL-CPD InChI=1/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h1-2H3,(H,7,8)(H,9,10)
          C(=N)(OC)CCCCCCC(=N)OC
DIMETHYLSUBERIMIDATE InChI=1/C10H20N2O2/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h11-12H,3-8H2,1-2H3
          C([S+1](C)C)C(O)=O
                     InChI=1/C4H8O2S/c1-7(2)3-4(5)6/h3H2,1-2H3/p+1
DIMETHYLSULFONIOACETATE
DIMP                 InChI=1/C10H13N4O7P/c15-5-1-7(21-6(5)2-20-22(17,18)19)14-4-13-8-9(14)11-3-12-10(8)16/h3-7,15H
          C(OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]cn3)))
          C(CCCCCCCCCCCCC)(=O)OC(OP([O-1])(=O)OCC[N+1](C)(C)C)OC(=O)CCCCCCCCCCCCC
                     InChI=1/C34H68NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-32(36)41-34(43-44(38,39)40-31-30-35(
DIMYRISTOYLPHOSPHATIDYLCHOLINE
          C(=O)(O)C(=O)Cc1(cc(N(O)=O)c(O)c(c1)N(O)=O)
                     InChI=1/C9H8N2O8/c12-7(9(14)15)3-4-1-5(10(16)17)8(13)6(2-4)11(18)19/h1-2,13H,3H2,(H,14,15)(H,1
DINITRO-4-HYDROXYPHENYLPYRUVATE
          C(O)(=O)C(N)Cc1(cc(N(=O)O)c(O)c(c1)N(=O)O)
DINITRO-L-TYROSINE InChI=1/C9H11N3O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1,10H2,(H,14,1
          c1(c(N(=O)=O)cc(N(=O)=O)c(c1)NN)
                     InChI=1/C6H6N4O4/c7-8-5-2-1-4(9(11)12)3-6(5)10(13)14/h1-3,8H,7H2
DINITROPHENYLHYDRAZINE
          CC(C)(O)C(O)C(O)=O
DIOH-ISOVALERATE InChI=1/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)
          C          InChI=1/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,7,10H,(H,9,11)
DIOXINDOLE 1(=O)(C(O)c2(c([NH]1)cccc2))
          C(=O)([O-1])CC1(O)(C(=O)[NH]c2(c1cccc2))
DIOXINDOLE-3-ACETATE InChI=1/C10H9NO4/c12-8(13)5-10(15)6-3-1-2-4-7(6)11-9(10)14/h1-4,15H,5H2,(H,11,14)(H,12,13)/p-1
          C1(NCC(=O)NC1)(=O)
DIOXOPIPERAZINE      InChI=1/C4H6N2O2/c7-3-1-5-4(8)2-6-3/h1-2H2,(H,5,8)(H,6,7)
          c1(c(CC(N)C(O)=O)nc(n1)CCC([N+1](C)(C)C)C(=O)N)
DIPHTHAMIDE          InChI=1/C13H23N5O3/c1-18(2,3)10(12(15)19)4-5-11-16-7-8(17-11)6-9(14)13(20)21/h7,9-10H,4-6,14H
                     InChI=1/C13H22N4O4/c1-17(2,3)10(13(20)21)4-5-11-15-7-8(16-11)6-9(14)12(18)19/h7,9-10H,4-6,14H
DIPHTINE c1(c(CC(N)C(O)=O)nc(n1)CCC([N+1](C)(C)C)C([O-1])=O)
          CCCOCCC InChI=1/C6H14O/c1-3-5-7-6-4-2/h3-6H2,1-2H3
DIPROPYLETHER
          CC1(=NC(C(CCC(O)=O)=C1CC(O)=O)CC2(C(CC(O)=O)=C(CN=2)CCC(O)=O))
DIPYRROMETHANE       InChI=1/C20H24N2O8/c1-10-13(6-19(27)28)12(3-5-18(25)26)16(22-10)8-15-14(7-20(29)30)11(9-21-15
          C(CC(N)C(=O)O)N1(C=NC(=C2(C1=NC=N2))NCC=C(C)C)
DISCADENINE          InChI=1/C14H20N6O2/c1-9(2)3-5-16-12-11-13(18-7-17-11)20(8-19-12)6-4-10(15)14(21)22/h3,7-8,10,1
DISULFIRAM           InChI=1/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
          C(C)N(CC)C(=S)SSC(=S)N(CC)CC
          C(S)C(O)C(O)CS
DITHIOERYTHRITOL InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
          C(S)C(O)C(O)CS
DITHIOTHREITOL       InChI=1/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2
DITP                 InChI=1/C10H15N4O13P3/c15-5-1-7(14-4-13-8-9(14)11-3-12-10(8)16)25-6(5)2-24-29(20,21)27-30(22,
          C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(CC1O)n2(c3(c(nc2)c(=O)[nH]cn3)))
          C=CC8(C3(=N7([Mg]59(n2(c1(=C(C(C(=O)OC)C(=O)c1c(C)c2=C3)C4(=N(C(C(C)=C4CCC(=O)O)=Cc6(n5c(c(C=C)c(C)6)C
                     InChI=1/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7
DIVINYL-PROTOCHLOROPHYLLIDE-A
          Cc3(c9(c8(n2([Mg]56(n1(c(c(C)c(C=C)c1=Cc4(n(c(=Cc23)c(c4C)C=C)5))=Cc7(n6c(c(c7C)CCC(=O)O)=C8[CH](C(=O)9)C
                     InChI=1/C35H32N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7
DIVINYLCHLOROPHYLLIDE-A
                     InChI=1/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-16-23(5)17-18-26-19-27(29)24(6)25(7)2
DMPBQ CC(CCCC(C)C)CCCC(C)CCCC(C)=CCc1(c(O)c(C)c(C)c(c1)O)
DMSO      CS(C)=O InChI=1/C2H6OS/c1-4(2)3/h1-2H3
          C(=O)(O)CCCCCCCCCCCCCCCCCCCCC
DOCOSANOATE          InChI=1/C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h2-21H2,1H3
          C(O)(=O)CCCCCCCCCCC
DODECANOATE          InChI=1/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
                     InChI=1/C80H132O/c1-65(2)33-18-34-66(3)35-19-36-67(4)37-20-38-68(5)39-21-40-69(6)41-22-42-70(
DOLICHOL CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
          CCC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=
DOLICHOL-GROUP       InChI=1/C80H132/c1-19-66(4)36-21-38-68(6)40-23-42-70(8)44-25-46-72(10)48-27-50-74(12)52-29-54
                     InChI=1/C80H133O4P/c1-65(2)33-18-34-66(3)35-19-36-67(4)37-20-38-68(5)39-21-40-69(6)41-22-42-7
DOLICHOLPCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
                     InChI=1/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
DOPAMINEC(N)Cc1(cc(O)c(O)cc1)
          C(=O)(O)C(N)CC1(C=CC(=O)C(=O)C=1)
DOPAQUINONE          InChI=1/C9H9NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6H,3,10H2,(H,13,14)
DPG                  InChI=1/C3H8O10P2/c4-2(1-12-14(6,7)8)3(5)13-15(9,10)11/h2,4H,1H2,(H2,6,7,8)(H2,9,10,11)
          C(OP(O)(O)=O)(=O)C(O)COP(O)(O)=O
          Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)C)))
DTDP-D-FUCOSE        InChI=1/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)
          Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)CO)))
DTDP-D-GALACTOSE InChI=1/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)
          Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)CO)))
DTDP-D-GLUCOSE       InChI=1/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)
          Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(=O)C(O3)C)))
                     InChI=1/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)
DTDP-DEOH-DEOXY-GLUCOSE
          Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(=O)C(O3)C)))
                     InChI=1/C16H24N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)
DTDP-DEOH-DEOXY-MANNOSE
          Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)C)))
DTDP-RHAMNOSE        InChI=1/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)
DUDP                 InChI=1/C9H14N2O11P2/c12-5-3-8(11-2-1-7(13)10-9(11)14)21-6(5)4-20-24(18,19)22-23(15,16)17/h1-
          c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)COP(=O)(O)OP(O)(O)=O))
          CC1(OC(C(O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(CC2O)n3(c(=O)[nH]c(=O)cc3)))
DUDP-L-RHAMNOSE InChI=1/C15H24N2O15P2/c1-6-11(20)12(21)13(22)14(29-6)31-34(26,27)32-33(24,25)28-5-8-7(18)4-10
DUMP                 InChI=1/C9H13N2O8P/c12-5-3-8(11-2-1-7(13)10-9(11)14)19-6(5)4-18-20(15,16)17/h1-2,5-6,8,12H,3-4
          c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)COP(O)(O)=O))
DUTP                 InChI=1/C9H15N2O14P3/c12-5-3-8(11-2-1-7(13)10-9(11)14)23-6(5)4-22-27(18,19)25-28(20,21)24-26(
          c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O))
          C(=O)(O)C=C(C(O)=O)CC(=O)OC
                     InChI=1/C7H8O6/c1-13-6(10)3-4(7(11)12)2-5(8)9/h2H,3H2,1H3,(H,8,9)(H,11,12)
E-2-METHOXYCARBONYLMETHYLBUTENEDIOAT
          C=CC(C)(O)CCC=C(C)CO
                     InChI=1/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3
E-37-DIMETHYLOCTA-16-DIEN-38-DIOL
          CC(CO)=CCOP(=O)(O)OP(O)(O)=O
                     InChI=1/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)
E-4-HYDROXY-3-METHYLBUT-2-EN-1-YL-DIPH
          C(NCCC(=O)NCCSC(=O)C(CC(O)=O)=Cc1(ccccc1))(=O)C(O)C(C)(C)COP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C2OP(=O)(O)O
E-PHENYLITACONYL-COA InChI=1/C32H44N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-
                     InChI=1/C27H44O6/c1-15(20(28)8-9-24(2,3)32)16-7-11-27(33)18-12-21(29)19-13-22(30)23(31)14-25(1
ECDYSONE CC14(C(C(C)C(O)CCC(C)(C)O)CCC(C2(C(CC1)C3(C(C(=O)C=2)CC(O)C(C3)O)(C)))(O)4)
                     InChI=1/C6H10N2O2/c1-4-7-3-2-5(8-4)6(9)10/h5H,2-3H2,1H3,(H,7,8)(H,9,10)
ECTOINE C1(NC(C(=O)O)CCN=1)(C)
EDTA                 InChI=1/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,1
          [CH2](N([CH2]C(=O)[OH])[CH2]C(=O)[OH])[CH2]N([CH2]C(=O)[OH])[CH2]C(=O)[OH]
EGTA                 InChI=1/C14H24N2O10/c17-11(18)7-15(8-12(19)20)1-3-25-5-6-26-4-2-16(9-13(21)22)10-14(23)24/h1-
          C(=O)(O)CN(CC(O)=O)CCOCCOCCN(CC(O)=O)CC(O)=O
EHNA                 InChI=1/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1
          CCCCCCC(C(O)C)n1(c2(c(nc1)c(N)ncn2))
          C(O)(=O)C(O)=CC(O)=O
ENOL-OXALOACETATE InChI=1/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)
          C(O)(=O)C(O)=CC1(=CC=CC=C1)
ENOL-PHENYLPYRUVATE  InChI=1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-6,10H,(H,11,12)
          CC(=CCOP(O)(=O)OP(O)(=O)O)CC[CH]1(C(=C)CC[CH]2(C1(C)CCCC(C)(C)2))
                     InChI=1/C20H36O7P2/c1-15(11-14-26-29(24,25)27-28(21,22)23)7-9-17-16(2)8-10-18-19(3,4)12-6-13-2
ENT-COPALYL-DIPHOSPHATE
          C=C1(C2(CC3(C1)([CH](CC2)C4(C)([CH](CC3)C(C)(C=O)CCC4))))
ENT-KAUR-16-EN-19-AL InChI=1/C20H30O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h13,15-17H
          C=C1(C2(CC3(C1)(C(CC2)C4(C)(C(CC3)C(C)(CO)CCC4))))
ENT-KAUR-16-EN-19-OL InChI=1/C20H32O/c1-14-11-20-10-7-16-18(2,13-21)8-4-9-19(16,3)17(20)6-5-15(14)12-20/h15-17,21H
          C(=O)(c1(c(O)c(O)ccc1))NC3(C(=O)OCC(NC(=O)c2(c(O)c(O)ccc2))C(=O)OCC(C(=O)OC3)NC(=O)c4(c(O)c(O)ccc4))
ENTEROBACTIN         InChI=1/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10-46-29(44)18(33-27(42)15-6-3-9-21
          C          InChI=1/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)3
ENVIOMYCIN2(C(CO)NC(=O)[CH](NC(=O)CC(N)C(O)CCN)CNC(=O)[CH]([CH]1(CCNC(=N)N1))NC(=O)C(=CNC(N)=O)NC(=O)C(N2)C
                     InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
EPISTEROL CC(C)C(=C)CCC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4([CH](CC=3)CC(O)CC4)(C))))
          CCCC=CC(=O)C=CC=CCCCCCCCC(O)=O
EPOXYOCTA-CPD        InChI=1/C18H28O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h7,9,11-12,14-15H,2-6,
          CC(CCC1(C(O1)(C)C))=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
EPOXYSQUALENE        InChI=1/C30H50O/c1-24(2)14-11-17-27(5)20-12-18-25(3)15-9-10-16-26(4)19-13-21-28(6)22-23-29-30
          CC(=O)NCCCCC(N)C(=O)O
                     InChI=1/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)
EPSILON-N-ACETYL-L-LYSINE
          C(=NO)C1(C=NC=CC=1)
EPYRIDALDOX          InChI=1/C6H6N2O/c9-8-5-6-2-1-3-7-4-6/h1-5,9H
          CC(C)[CH](C)C=C[CH](C)[CH]1(C2(C)([CH](CC1)C3([CH](CC2)C4(C)(C(O)(CC=3)CC(O)CC4))))
                     InChI=1/C28H46O2/c1-18(2)19(3)7-8-20(4)23-9-10-24-22-12-16-28(30)17-21(29)11-15-27(28,6)25(22)
ERGOSTA-ETCETERA-BETA-DIOL
ERGOSTEROL           InChI=1/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
          CC(C)C(C)C=CC(C)[CH]1(C2(C)([CH](CC1)C3([CH](CC2)C4(C)(C(=CC=3)CC(O)CC4))))
ERYTHRITOL           InChI=1/C4H10O4/c5-1-3(7)4(8)2-6/h3-8H,1-2H2
          C(O)C(O)C(O)CO
          C([O-1])(=O)C(O)C(O)COP(O)(O)=O
ERYTHRONATE-4P       InChI=1/C4H9O8P/c5-2(3(6)4(7)8)1-12-13(9,10)11/h2-3,5-6H,1H2,(H,7,8)(H2,9,10,11)/p-1
                     InChI=1/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2
ERYTHROSEC(=O)C(O)C(O)CO
          C(=O)C(O)C(O)COP(O)(=O)O
ERYTHROSE-4P         InChI=1/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)
          C(O)C(O)C(=O)CO
ERYTHRULOSE          InChI=1/C4H8O4/c5-1-3(7)4(8)2-6/h3,5-7H,1-2H2
          C(OP(O)(=O)O)C(=O)C(O)CO
ERYTHRULOSE-1P       InChI=1/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h3,5-6H,1-2H2,(H2,8,9,10)
          CC23(CCC1(c4(c(CCC1C2CCC3O)cc(cc4)OC5(C(O)C(O)C(O)C(O5)C(O)=O))))
                     InChI=1/C24H32O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(2
ESTRADIOL-ETCETERA-GLUCURONOSIDE
                     InChI=1/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-
ESTRIOL CC12([CH](CC(O)C(O)1)[CH]3([CH](CC2)c4(c(CC3)cc(O)cc4)))
          [CH]1([CH2][CH](O)[CH](O)[CH](O1)C(=O)O)Oc2(cc3(c(cc2)C4(C(CC3)C5(C(CC4)(C)C(O)C(O)C5))))
                     InChI=1/C24H32O8/c1-24-7-6-14-13-5-3-12(31-19-10-17(25)20(27)21(32-19)23(29)30)8-11(13)2-4-15
ESTRIOL-16A-GLUCURONIDE
                     InChI=1/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16
ESTRONE CC12([CH](CCC(=O)1)[CH]3([CH](CC2)c4(c(CC3)cc(O)cc4)))
          CC12([CH](CCC(=O)1)[CH]3([CH](CC2)c4(c(CC3)cc(cc4)OS(=O)(=O)O)))
ESTRONE-SULFATE      InChI=1/C18H22O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/
ETHANAMINEC(C)N      InChI=1/C2H7N/c1-2-3/h2-3H2,1H3
          C(N)CN
ETHANEDIAMINE        InChI=1/C2H8N2/c3-1-2-4/h1-4H2
          C(O)CN
ETHANOL-AMINE        InChI=1/C2H7NO/c3-1-2-4/h4H,1-3H2
                     InChI=1/C6H13NO2S/c1-2-10-4-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
ETHIONINE CCSCCC(N)C(O)=O
          CCOC(=O)C(C)C(=O)C
                     InChI=1/C7H12O3/c1-4-10-7(9)5(2)6(3)8/h5H,4H2,1-3H3
ETHYL-2-METHYLACETOACETATE
          CCOC(=O)C(C)C(O)C
                     InChI=1/C7H14O3/c1-4-10-7(9)5(2)6(3)8/h5-6,8H,4H2,1-3H3
ETHYL-2R-METHYL-3S-HYDROXYBUTANOATE
          C(=O)(OCC)CC(=O)CCC
ETHYL-3-OXOHEXANOATE InChI=1/C8H14O3/c1-3-5-7(9)6-8(10)11-4-2/h3-6H2,1-2H3
          CCOC(=O)CC(=O)C
ETHYL-ACETOACETATE InChI=1/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3
          CCCC(O)CC(=O)OCC
                     InChI=1/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
ETHYL-R-3-HYDROXYHEXANOATE
          CCCC(O)CC(=O)OCC
                     InChI=1/C8H16O3/c1-3-5-7(9)6-8(10)11-4-2/h7,9H,3-6H2,1-2H3
ETHYL-S-3-HYDROXYHEXANOATE
          CC(=O)OCC InChI=1/C4H8O2/c1-3-6-4(2)5/h3H2,1-2H3
ETHYLACETATE
          CCOC(=N)C
ETHYLACETIMIDATE InChI=1/C4H9NO/c1-3-6-4(2)5/h5H,3H2,1-2H3
          CCc1(ccccc1)
ETHYLBENZENE         InChI=1/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
          C=C
ETHYLENE-CMPD        InChI=1/C2H4/c1-2/h1-2H2
ETOH      C(C)[OH] InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3
F-        [F-1]      InChI=1/FH/h1H/p-1
          C(O)C1(OC(C(O)C(O)C(O)1)OC2(C(O)C(O)C(O2)CO)COC3(OC(CO)C(O)C(O)3)(CO))
                     InChI=1/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-2
F-BETA-D-FRUCTOSYLSUCROSE
FAD                  InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19
          Cc3(cc2(n(c1(c(C(=O)[NH]C(=O)N=1)nc2cc(C)3))CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4(O[CH]([CH](O)[CH](O)4
          C(OP(O)(=O)OP(=O)(O)OCC(O)C(O)C(O)CN)C1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3)))
FAD-STEM-GROUP       InChI=1/C15H26N6O13P2/c16-1-6(22)10(24)7(23)2-31-35(27,28)34-36(29,30)32-3-8-11(25)12(26)15(3
FADH2                InChI=1/C27H35N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19
          Cc3(cc2(N(c1(c(c(=O)[nH]c(=O)[nH]1)[NH]c2cc(C)3))CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4(O[CH]([CH](O)[CH]4
          CC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(=O)(O)O
FARNESYL-PP          InChI=1/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-
          CC(CCC=C(C)C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
                     InChI=1/C40H66O/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-38(7
FARNESYLFARNESYLGERANIOL
FE+2      [Fe+2]     InChI=1/Fe/q+2
FE+3      [Fe+3]     InChI=1/Fe/q+3
FECOSTEROL           InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
          C=C(C(C)C)CCC(C)[CH]1(C2(C)([CH](CC1)C3(=C(CC2)C4(C)([CH](CC3)CC(O)CC4))))
          C(O)(=O)C=Cc1(cc(OC)c(O)cc1)
FERULIC-ACID         InChI=1/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(
FERULOYL-COA         InChI=1/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19
FLAVIN               InChI=1/C12H12N4O2/c1-5-3-7-8(4-6(5)2)14-10-9(13-7)11(17)16-12(18)15-10/h3-4,13H,1-2H3,(H3,14
          c1(=O)(c2(c([nH]c([nH]1)=O)[NH]c3(c([NH]2)cc(C)c(C)c3)))
          CC1(OC(C(O)C(O)C1O)OCC2(OC(C(O)C(O)C2O)O[CH]4([CH](c3(cc(O)c(O)cc3))Oc5(c(C4=O)ccc(c5)O))))
                     InChI=1/C27H32O15/c1-9-17(31)20(34)22(36)26(39-9)38-8-16-19(33)21(35)23(37)27(41-16)42-25-18(
FLAVONOL-3-O-L-RHAMNOSYLGLUCOSIDE
          c1(ccc(cc1)C2(Oc3(c(C(C2)=O)cccc3)))
FLAVONONE-CMPD InChI=1/C15H12O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-9,15H,10H2
                     InChI=1/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
FLUORENE c1(cc2(c(cc1)Cc3(ccccc23)))
          C(=O)(O)CC(O)(C(O)=O)C(F)C(O)=O
FLUORO-CITRATE       InChI=1/C6H7FO7/c7-3(4(10)11)6(14,5(12)13)1-2(8)9/h3,14H,1H2,(H,8,9)(H,10,11)(H,12,13)
FMN                  InChI=1/C17H21N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(2
          C1(c2(c(=NC(=O)N1)n(c3(c(n2)cc(C)c(c3)C))CC(O)C(O)C(O)COP(=O)(O)O))(=O)
FMNH2                InChI=1/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(2
          c1(=O)(c2(c([nH]c([nH]1)=O)N(c3(c(N2)cc(C)c(C)c3))CC(O)C(O)C(O)COP(=O)(O)O))
FOLATE               InChI=1/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12
          c1(c(nc2(c(n1)N=C(N)[NH]C2=O))CNc3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O))
          [CH2]=O InChI=1/CH2O/c1-2/h1H2
FORMALDEHYDE
FORMAMIDE [CH](=O)N InChI=1/CH3NO/c2-1-3/h1H,(H2,2,3)
FORMATE [CH](=O)O InChI=1/CH2O2/c2-1-3/h1H,(H,2,3)
          C2(=C(c1(ccc(cc1)OC))C(=O)c3(c(O2)cc(O)cc3))
FORMONONETIN         InChI=1/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3
          C          InChI=1/C10H15N5O4/c11-10-6-4(12-2-13-10)5(14-15-6)9-8(18)7(17)3(1-16)19-9/h2-3,5,7-9,14-18H,1
FORMYCIN-A(O)C1(OC(C(O)C1O)C2(c3(c(NN2)c(N)ncn3)))
FORMYL-COA           InChI=1/C22H36N7O17P3S/c1-22(2,17(33)20(34)25-4-3-13(31)24-5-6-50-11-30)8-43-49(40,41)46-48(3
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(
FORMYL-GLU           InChI=1/C6H9NO5/c8-3-7-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
          C(=O)(O)C(NC=O)CCC(O)=O
          C(N)(=O)C(NC=O)CCC(O)=O
FORMYL-ISOGLUTAMINE  InChI=1/C6H10N2O4/c7-6(12)4(8-3-9)1-2-5(10)11/h3-4H,1-2H2,(H2,7,12)(H,8,9)(H,10,11)
          c1(c(cc(o1)CN[CH]=O)COc2(ccc(cc2)CCNC(=O)CCC(C(O)=O)NC(=O)CCC(C(O)=O)NC(=O)CCC(C(=O)O)C(C(=O)O)CCC(=
FORMYL-METHANOFURAN  InChI=1/C35H44N4O16/c40-19-36-16-23-15-21(18-55-23)17-54-22-3-1-20(2-4-22)13-14-37-28(41)10-
          C[CH]([CH]1(N(C=O)c2(c([NH][CH]1C)nc(N)[nH]c2=O)))Nc3(ccc(cc3)CC(O)C(O)C(O)COC4(OC(C(O)C4O)COP(=O)([O-
FORMYL-THMPT         InChI=1/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-
FRU                  InChI=1/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2
          C(O)C1(C(O)C(O)C(O)(O1)CO)
FRU1P                InChI=1/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)
          C(OP(O)(O)=O)C1(O)(O[CH](CO)[CH](O)[CH](O)1)
          C(OP(O)(O)=O)C1(OC(O)(C(O)C1O)COP(O)(O)=O)
                     InChI=1/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,1
FRUCTOSE-16-DIPHOSPHATE
          C(O)C1(OC(OP(O)(=O)O)(CO)C(O)C(O)1)
FRUCTOSE-2-PHOSPHATE InChI=1/C6H13O9P/c7-1-3-4(9)5(10)6(2-8,14-3)15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)
          C(O)C1(O)(OC(C(O)C1O)COP(O)(O)=O)
FRUCTOSE-6P          InChI=1/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)
          C(O)[CH]1(O[CH2](C(=O)[CH](O)[CH]1O)NCCCC[CH](N)C(=O)O)
FRUCTOSELYSINE       InChI=1/C12H23N2O7/c13-6(12(19)20)3-1-2-4-14-11-10(18)9(17)8(16)7(5-15)21-11/h6-9,14-17H,1-5,
          [CH2]1(C(=O)[CH](O)[CH](O)[CH](O1)COP(=O)(O)O)NCCCC[CH](N)C(O)=O
                     InChI=1/C12H24N2O10P/c13-6(12(18)19)3-1-2-4-14-11-10(17)9(16)8(15)7(24-11)5-23-25(20,21)22/h6
FRUCTOSELYSINE-6-PHOSPHATE
          C(O)C1(O)(C(O)C(O)C(O1)C(O)=O)
FRUCTURONATE         InChI=1/C6H10O7/c7-1-6(12)4(9)2(8)3(13-6)5(10)11/h2-4,7-9,12H,1H2,(H,10,11)
          C1(C(O)C(O)C(O)C(C)O1)(OP(O)(=O)O)
FUCULOSE-1P          InChI=1/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)
FUM                  InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)
          C(O)(=O)C=CC(O)=O
G3P                  InChI=1/C3H7O7P/c4-2(3(5)6)1-10-11(7,8)9/h2,4H,1H2,(H,5,6)(H2,7,8,9)
          C(C(O)C(O)=O)OP(O)(O)=O
          CC(=O)NC1(C(OC(CO)C(O)C1OC2(C(O)C(O)C(O)C(O2)CO))OC3(C(O)C(OC(C3O)CO)OC4(C(O)C(O)C(O)OC4O)))
GAL-GLCNAC-GAL-GLC InChI=1/C25H43NO21/c1-5(30)26-9-18(44-24-16(37)13(34)10(31)6(2-27)42-24)11(32)7(3-28)41-23(9)
          C          InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2
GALACTITOL (O)C(O)C(O)C(O)C(O)CO
          C(O)C(O)C(O)C(O)C(O)COP(O)(O)=O
                     InChI=1/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)
GALACTITOL-1-PHOSPHATE
          C(=O)C(N)C(O)C(O)C(O)CO
GALACTOSAMINE        InChI=1/C6H13NO5/c7-3(1-8)5(11)6(12)4(10)2-9/h1,3-6,9-12H,2,7H2
                     InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
GALACTOSEC(O)C1(C(O)C(O)C(O)C(O1)O)
          C(O)C1(OC(OP(O)(O)=O)C(O)C(O)C1O)
GALACTOSE-1P         InChI=1/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)
          C1(O)(OC(C(=O)O)C(C(O)C(O)1)OC2(C(O)C(O)C=C(O2)C(O)=O))
GALACTURONATE-CPD InChI=1/C12H16O12/c13-2-1-3(9(17)18)22-12(4(2)14)24-7-5(15)6(16)11(21)23-8(7)10(19)20/h1-2,4-8
          Cc2(c1(OC(C)(CCc1cc(O)c(C)2)CCCC(C)CCCC(C)CCCC(C)C))
GAMA-TOCOPHEROL InChI=1/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-19-26(29)23(5)24(6)2
          C([N+1](C)(C)C)CCC(=O)[O-1]
GAMMA-BUTYROBETAINE   InChI=1/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3
          C(C(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCC[N+1](C)(C)C)OP(=O)(O)OP(O)(=O)OCC1(OC(C(O)C1OP(=O)(O)O)n2(c3
                      InChI=1/C28H49N8O17P3S/c1-28(2,23(40)26(41)31-9-8-18(37)30-10-12-57-19(38)7-6-11-36(3,4)5)14-
GAMMA-BUTYROBETAINYL-COA
          C(=O)(O)CCC(C(O)=O)NC(=O)CCC(N)C(O)=O
                      InChI=1/C10H16N2O7/c11-5(9(16)17)1-3-7(13)12-6(10(18)19)2-4-8(14)15/h5-6H,1-4,11H2,(H,12,13)(H
GAMMA-GLUTAMYL-D-GLUTAMATE
GAMMA-HCH             InChI=1/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H
          C1(Cl)(C(Cl)C(Cl)C(Cl)C(Cl)C(Cl)1)
          c1(N)(c2(c(ncn1)n(cn2)C3(OC(C(C3O)OP(O)(O)=O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C
GAMMA-LINOLENOYL-COA  InChI=1/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)
          C1(Cl)(C(Cl)C(Cl)=CC(Cl)C1Cl)
                      InChI=1/C6H5Cl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4-6H
GAMMA-PENTACHLOROCYCLOHEXANE
GAP                   InChI=1/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)
          C(=O)[CH](O)COP(O)(O)=O
GDP                   InChI=1/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-
          C(OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
          CC1(OC(C(O)C(O)C1=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
                      InChI=1/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)
GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE
          CC1(OC(C(O)C(O)C1=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
                      InChI=1/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)
GDP-4-DEHYDRO-6-L-DEOXYGALACTOSE
          C(O)C1(OC(C(O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
GDP-D-GLUCOSE         InChI=1/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29
          C(O)C1(OC(C(O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c4(c(nc3)c(=O)[nH]c(n4)N))))
GDP-GALACTOSE         InChI=1/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29
          C(O)C1(OC(C(O)C(O)C(O)1)OP(O)(=O)OP(O)(=O)OCC2(OC(C(O)C(O)2)n3(c4(c(nc3)c(=O)[nH]c(N)n4))))
GDP-L-GALACTOSE       InChI=1/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29
          C(O)C1(OC(C(O)C(O)C(O)1)OP(O)(=O)OP(O)(=O)OCC2(OC(C(O)C(O)2)n3(c4(c(nc3)c(=O)[nH]c(N)n4))))
GDP-MANNOSE           InChI=1/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29
GDP-TP                InChI=1/C10H18N5O20P5/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(32-39(26,27)33-36(18,19)20)
          C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1OP(=O)(O)OP(O)(O)=O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
          CC=C1(C(C(C=O)C(=O)OC)C[CH]2(N(C1)CCc3(c4(c(nc23)cccc4))))
GEISSOSCHIZINE        InChI=1/C21H24N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(
          C           InChI=1/C21H43N5O7/c1-9(25-3)13-6-5-10(22)19(31-13)32-16-11(23)7-12(24)17(14(16)27)33-20-15(2
GENTAMICIN1(OC(C(O)C(NC)C(O)(C)1)OC2(C(O)C(C(N)CC(N)2)OC3(OC(C(C)NC)CCC3N)))
          CC1(O)(C(NC)C(O)C(OC1)OC2(C(O)C(C(N)CC2N)OC3(C(N)CCC(O3)CN)))
GENTAMICIN-C1A        InChI=1/C19H39N5O7/c1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9
                      InChI=1/C10H16O/c1-9(2)5-4-6-10(3)7-8-11/h5,7-8H,4,6H2,1-3H3
GERANIAL CC(=CC=O)CCC=C(C)C
                      InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3
GERANIOL CC(=CCO)CCC=C(C)C
          C           InChI=1/C10H20O7P2/c1-9(2)5-4-6-10(3)7-8-16-19(14,15)17-18(11,12)13/h5,7H,4,6,8H2,1-3H3,(H,14,
GERANYL-PP (OP(O)(=O)OP(O)(O)=O)C=C(C)CCC=C(C)C
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(O)(O)=O
GERANYLGERANYL-PP InChI=1/C20H36O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22
GERMANICOL            InChI=1/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)20(21(27)19-25)9-10-23-28(6)13-12-24(31)26(3,4)2
          CC1(C=C2(C(CC1)(C)CCC3(C4([CH](CC[CH]23)C5([CH](CC4)C(C)(C)C(O)CC5)(C))(C))(C)))(C)
          C           InChI=1/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21
GIBBERELLIN=C1(C2(CC5(C1)([CH](CC2)C34(OC(=O)C(C(O)C=C3)(C)[CH]4C5C(=O)O)))(O))
          C=C5(CC46(C(C(O)=O)[CH]1(C2(CCC(C(C)1C(O2)=O)OC3(C(O)C(O)C(O)C(O3)CO))([CH](CCC(C4)5O)6))))
                      InChI=1/C25H34O11/c1-10-7-23-9-24(10,33)5-3-12(23)25-6-4-13(22(2,21(32)36-25)18(25)14(23)19(30
GIBBERELLIN-2-O-BETA-D-GLUCOSIDE
          C=C1(C2(O)(CC5(C1)([CH](CC2)C34(COC(=O)C(C)(CCC3)[CH]4C5C(O)=O))))
GIBBERELLIN-44        InChI=1/C20H26O5/c1-11-8-19-9-20(11,24)7-4-12(19)18-6-3-5-17(2,16(23)25-10-18)14(18)13(19)15(2
GLC                   InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
          C(O)C1(C(O)C(O)C(O)C(O1)O)
                      InChI=1/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)
GLC-1-P C(O)C1(OC(OP(O)(O)=O)C(O)C(O)C1O)
                      InChI=1/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)
GLC-6-P C1(OC(COP(O)(=O)O)C(O)C(O)C(O)1)(O)
          C1(OC(CO)C(O)C(O)C(O)1)(=O)
GLC-D-LACTONE         InChI=1/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)O
GLCNAC-PP-LIPID       InChI=1/C63H105NO12P2/c1-47(2)24-14-25-48(3)26-15-27-49(4)28-16-29-50(5)30-17-31-51(6)32-18-
GLN                   InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)
          C(N)(=O)CCC(N)C(O)=O
GLOBOMYCIN            InChI=1/C33H59N5O9/c1-9-11-12-13-14-25-21(6)33(46)38(8)24(15-19(3)4)30(43)37-28(20(5)10-2)32(
          CCCCCCC1(C(C)C(=O)N(C)C(CC(C)C)C(=O)NC(C(C)CC)C(=O)NC(CO)CC(=O)NC(C(O)C)C(=O)NCC(O1)=O)
GLT                   InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
          C(=O)(O)CCC(N)C(O)=O
GLU2                  InChI=1/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
          C(=O)(O)CCC(N)C(O)=O
          C           InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)
GLUCONATE (O)(=O)[CH](O)[CH](O)[CH](O)[CH](O)CO
          C(O)[CH](O)C1(C(O)C(O)C(O1)=O)
GLUCONOGAMMALACTONE   InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2
          C(O)C(O)C(O)C(O)C(N)C(O)=O
GLUCOSAMINATE         InChI=1/C6H13NO6/c7-3(6(12)13)5(11)4(10)2(9)1-8/h2-5,8-11H,1,7H2,(H,12,13)
          [CH]1(O)(O[CH](CO)[CH](O)[CH](O)[CH](N)1)
GLUCOSAMINE           InChI=1/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2
          C(O)C1(OC(OP(O)(O)=O)C(N)C(O)C1O)
GLUCOSAMINE-1P        InChI=1/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)
          CC(=O)NC1(C(O)C(C(CO)OC1OP(=O)(O)O)OC2(OC(CO)C(C(O)C2NC(C)=O)OC3(C(O)C(C(O)C(O3)COC6(OC(COC4(C(C(
                      InChI=1/C88H151N2O74P/c1-18(103)89-35-49(119)67(31(13-101)150-76(35)155-66-32(14-102)151-7
GLUCOSYL3-MANNOSYL9-N-ACETYLGLUCOSA
          C(O)C1(OC(C(O)C(O)C1O)SC(=NOS(=O)([O-1])=O)Cc2(ccccc2))
GLUCOTROPEOLIN        InChI=1/C14H19NO9S2/c16-7-9-11(17)12(18)13(19)14(23-9)25-10(15-24-26(20,21)22)6-8-4-2-1-3-5-8
          C(=O)(O)C1(C(O)C(O)C(O)C(O1)O)
GLUCURONATE           InChI=1/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)
          C(=O)(O)CC=CC(O)=O
GLUTACONATE           InChI=1/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)
          CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCC(=O)O)COP(O)(=O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O
GLUTACONYL-COA        InChI=1/C26H40N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-
          [CH](=O)C(N)CCC(=O)O
                      InChI=1/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)
GLUTAMATE-1-SEMIALDEHYDE
GLUTAMIDE            InChI=1/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)
          C(O)(=O)C(N)CCC(=O)N
                     InChI=1/C5H8O4/c6-4(7)2-1-3-5(8)9/h1-3H2,(H,6,7)(H,8,9)
GLUTARATEC(=O)(O)CCCC(=O)O
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(O)=O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
GLUTARYL-COA         InChI=1/C26H42N7O19P3S/c1-26(2,21(39)24(40)29-7-6-15(34)28-8-9-56-17(37)5-3-4-16(35)36)11-49-
          C(=O)(O)C(N)CCC(=O)NC(CS)C(=O)NCC(O)=O
GLUTATHIONE          InChI=1/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,
          C(C(O)=O)NC(=O)C(CSS)NC(=O)CCC(N)C(O)=O
GLUTATHIONE-SULFIDE  InChI=1/C10H17N3O6S2/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2
          C(C(O)=O)NC(=O)C(CSS(=O)([O-1])=O)NC(=O)CCC(N)C(O)=O
GLUTATHIONE-SULFITEInChI=1/C10H17N3O9S2/c11-5(10(18)19)1-2-7(14)13-6(4-23-24(20,21)22)9(17)12-3-8(15)16/h5-6H,1-
          C(=O)(O)C(N)CCC(=O)NC(CS)C(=O)NCC(=O)NCCCNCCCCN
                     InChI=1/C17H34N6O5S/c18-6-1-2-7-20-8-3-9-21-15(25)10-22-16(26)13(11-29)23-14(24)5-4-12(19)17(
GLUTATHIONYLSPERMIDINE
GLY       C(=O)(O)CNInChI=1/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)
GLYCEOLLIN           InChI=1/C20H18O5/c1-19(2)8-7-12-15(25-19)6-4-13-17(12)23-10-20(22)14-5-3-11(21)9-16(14)24-18(1
          CC1(C)(Oc2(c(C=C1)c3(c(cc2)[CH]4(C(O)(CO3)c5(c(O4)cc(O)cc5)))))
GLYCERALDC(O)C(O)C=O InChI=1/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
                     InChI=1/C3H6O4/c4-1-2(5)3(6)7/h2,4-5H,1H2,(H,6,7)
GLYCERATEC(O)C(O)C(O)=O
GLYCEROL C(O)C(O)COInChI=1/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
          C(O)C(O)COP(O)(O)=O
GLYCEROL-3P          InChI=1/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
          C(O)C(O)CCP(=O)([O-1])CCCC[N+1](C)(C)C
                     InChI=1/C11H26NO4P/c1-12(2,3)7-4-5-8-17(15,16)9-6-11(14)10-13/h11,13-14H,4-10H2,1-3H3
GLYCERYLPHOSPHORYLCHOLINE
          C(N)(=O)CNInChI=1/C2H6N2O/c3-1-2(4)5/h1,3H2,(H2,4,5)
GLYCINAMIDE
          C[CH](CCC(=O)NCC(O)=O)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2)C4(C)([CH](CC3O)C[CH](O)CC4))))
                     InChI=1/C26H43NO5/c1-15(4-7-22(30)27-14-23(31)32)18-5-6-19-24-20(9-11-26(18,19)3)25(2)10-8-17
GLYCOCHENODEOXYCHOLIC_ACID
          C(C(O)=O)NC(=O)CC[CH](C)C1(C2([CH](CC1)[CH]3([CH](CC(O)2)C4([CH](CC(O)3)CC(O)CC4)(C)))(C))
GLYCOCHOLIC_ACID InChI=1/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8
          C[CH](CCC(=O)NCC(O)=O)[CH]1(C2(C)([CH](CC1)[CH]3([CH](C[CH]2O)C4(C)([CH](CC3)C[CH](O)CC4))))
GLYCODEOXYCHOLIC_ACIDInChI=1/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)2
GLYCOL    C(O)CO     InChI=1/C2H6O2/c3-1-2-4/h3-4H,1-2H2
          C(O)C=O InChI=1/C2H4O2/c3-1-2-4/h1,4H,2H2
GLYCOLALDEHYDE
          C
GLYCOLLATE (=O)(O)COInChI=1/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
          CC(=O)NC(C(=O)N)CC(=O)NC1(C(NC(=O)C)C(O)C(C(O1)CO)OC2(C(NC(=O)C)C(O)C(C(O2)CO)OC3(C(O)C(O)C(C(O3)CO
                     InChI=1/C42H71N6O31P/c1-11(53)44-15(37(43)67)5-21(57)48-38-22(45-12(2)54)28(61)34(17(7-50)71
GLYCOPROTEIN-ETCETERA-GLUCOSAMINYL-PHOSP
          CC(=O)NC(C(=O)N)CC(=O)NC1(C(NC(=O)C)C(O)C(C(O1)CO)OC2(C(NC(=O)C)C(O)C(C(O2)CO)OC3(C(O)C(O)C(C(O3)CO
                     InChI=1/C34H58N5O26P/c1-9(43)36-12(30(35)54)4-17(46)39-31-18(37-10(2)44)21(48)27(13(5-40)59-
GLYCOPROTEIN-PHOSPHO-D-MANNOSE
          CC(=O)N(C)C1(C(C(O)C(OC1[O+1]C)COS(=O)(O)=O)OC2(C(O)C(OC)C(O)C(O2)C(O)=O))
GLYCOSAMINOGLYCANInChI=1/C17H29NO15S/c1-6(19)18(2)8-12(9(20)7(31-16(8)29-4)5-30-34(25,26)27)32-17-11(22)13(28-
          C(N)C(=O)NCC(O)=O
GLYCYLGLYCINE        InChI=1/C4H8N2O3/c5-1-3(7)6-2-4(8)9/h1-2,5H2,(H,6,7)(H,8,9)
          CC35(C1(C(C2(C(CC1)(C)CCC(C)(C2)C(=O)O))=CC(=O)C(C4(C(CC3)C(C)(C)C(O)CC4)(C))5)(C))
GLYCYRRHETINATE      InChI=1/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34
          CC14(CCC5(C(C)(C(C(=O)C=C2(C(C)1CCC3(C)(C2CC(C)(C(=O)O)CC3)))4)CCC(C(C)5C)OC6(C(C(O)C(O)C(O6)C(=O)O)OC
GLYCYRRHIZINATE      InChI=1/C42H62O16/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15
GLYOX                InChI=1/C2H2O3/c3-1-2(4)5/h1H,(H,4,5)
          C(=O)(O)[CH]=O
GMP                  InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2
          C(OP(=O)(O)O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
GTP                  InChI=1/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-
          C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
          C(C(O)=O)NC(=N)NP(O)(=O)O
GUANIDINO-ACETATE-P  InChI=1/C3H8N3O5P/c4-3(5-1-2(7)8)6-12(9,10)11/h1H2,(H,7,8)(H5,4,5,6,9,10,11)
          C(NC(N)=N)COP(=O)(O)OC
                     InChI=1/C4H12N3O4P/c1-10-12(8,9)11-3-2-7-4(5)6/h2-3H2,1H3,(H,8,9)(H4,5,6,7)
GUANIDINOETHYL-METHYL-PHOSPHATE
          C(C(=O)O)NC(=N)N
GUANIDOACETIC_ACIDInChI=1/C3H7N3O2/c4-3(5)6-1-2(7)8/h1H2,(H,7,8)(H4,4,5,6)
                     InChI=1/C5H11N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h2-3,5,7-9H,1,6H2,(H,10,11)
GUANINE c12([nH]cnc(c(=O)[nH]c(N)n1)2)
GUANOSINE            InChI=1/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18
          C(O)[CH]1(O[CH]([CH](O)[CH]1O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
          C(OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1OP(=O)(O)OP(O)(O)=O)n2(c3(c(nc2)c(=O)[nH]c(n3)N)))
GUANOSINE-5DP-3DP InChI=1/C10H17N5O17P4/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(30-36(26,27)32-34(21,22)23)
          C(OP(O)(=O)OP(O)(=O)OC1(C(O)C(O)C(O)C(C)O1))C2(OC(C(O)C(O)2)n3(c4(c(nc3)c(=O)[nH]c(N)n4)))
                     InChI=1/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)
GUANOSINE_DIPHOSPHATE_FUCOSE
          [CH]3(n1(c2(c(nc1)c(=O)[nH]c(N)n2)))(O[CH]([CH](O)[CH](O)3)COP(O)(=O)OP(=O)(O)OP(O)(=O)OP(O)(=O)OP(O)(O)
                     InChI=1/C10H18N5O20P5/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(31-9)1-30-37(22,23)33-
GUANOSINE_PENTAPHOSPHATE
          c1(c2(c(nc(N)[nH]1)n(cn2)[CH]3(O[CH]([CH](O)[CH]3O)COP(=O)(O)OP(=O)(O)OP(O)(=O)OP(=O)(O)O)))(=O)
                     InChI=1/C10H17N5O17P4/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(29-9)1-28-34(22,23)31-
GUANOSINE_TETRAPHOSPHATE
                     InChI=1/C18H41N7/c19-17(20)24-15-11-7-3-1-5-9-13-23-14-10-6-2-4-8-12-16-25-18(21)22/h23H,1-16
GUAZATINEC(NC(=N)N)CCCCCCCNCCCCCCCCNC(=N)N
                     InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
GULOSE [CH]1(O)(O[CH](CO)[CH](O)[CH](O)[CH](O)1)
H2CO3     C(=O)(O)O InChI=1/CH2O3/c2-1(3)4/h(H2,2,3,4)
H2SO3     S(=O)(O)O InChI=1/H2O3S/c1-4(2)3/h(H2,1,2,3)
H2SO4                InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)
          S(=O)(=O)(O)O
HCL       [ClH]      InChI=1/ClH/h1H
HCN       [CH]#N     InChI=1/CHN/c1-2/h1H
HCO3                 InChI=1/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-1
          C(=O)(O)[O-1]
                      InChI=1/C34H36N4O6.Fe/c1-7-20-17(3)23-13-27-21(8-2)18(4)25(37-27)15-29-33(6,43)34(44,12-11-32
HEME_D Cc4(c2(C=C8(N7([Fe]35(N1(=C(C(C)(O)C(CCC(O)=O)(O)C1=Cc(n23)c4CCC(O)=O)C=c6(n5c(c(C=C)c(C)6)=CC=7C(C)=C
                      InChI=1/C49H60N4O5.Fe/c1-10-35-31(6)40-26-45-49(46(54)19-13-18-30(5)17-12-16-29(4)15-11-14-28
HEME_O Cc8(c3(n7([Fe]25(n4(c(=CC1(C(C)=C(C(N=12)=C3)C=C))c(c(C)c4=CC6(=N5C(C(=C6C)CCC(=O)O)=Cc7c8CCC(=O)O))C(
                      InChI=1/C12H21NO20S3/c14-4-3(13-34(20,21)22)11(19)30-2(1-29-35(23,24)25)7(4)31-12-9(33-36(26,
HEPARIN C(O)(=O)C1(OC(C(C(O)C1O)OS(=O)(=O)O)OC2(C(COS(=O)(O)=O)OC(O)C(C2O)NS(=O)(O)=O))
           CCCCCCCCCCCCCCCCC
HEPTADECANE-CPD InChI=1/C17H36/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-17H2,1-2H3
           c1(c(C)cccn1)(NC(O)(P(O)(O)=O)P(O)(O)=O)
HERBICIDE-14A         InChI=1/C7H12N2O7P2/c1-5-3-2-4-8-6(5)9-7(10,17(11,12)13)18(14,15)16/h2-4,10H,1H3,(H,8,9)(H2,11
HEXANAL CCCCC[CH]=O   InChI=1/C6H12O/c1-2-3-4-5-6-7/h6H,2-5H2,1H3
HEXANOATE             InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)
           C(O)(=O)CCCCC
           C(O)CCCCC InChI=1/C6H14O/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
HEXANOL-CMPD
           C(=O)(CCCCC)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)([O-1])OP(=O)([O-1])OCC1(OC(C(O)C1OP([O-1])([O-1])=O)n2
HEXANOYL-COA          InChI=1/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(
HG+2       [Hg+2]     InChI=1/Hg/q+2
HG0        [Hg]       InChI=1/Hg
HIS                   InChI=1/C6H9N3O2/c7-5(6(10)11)1-4-2-8-3-9-4/h2-3,5H,1,7H2,(H,8,9)(H,10,11)
           C(=O)(O)C(N)Cc1(nc[nH]c1)
                      InChI=1/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
HISTAMINEC(N)Cc1(cnc[nH]1)
                      InChI=1/C6H9N3O/c7-5(3-10)1-6-2-8-4-9-6/h2-5H,1,7H2,(H,8,9)
HISTIDINAL c1(c(nc[nH]1)C[CH](N)C=O)
                      InChI=1/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)
HISTIDINOLc1(c(nc[nH]1)CC(N)CO)
HMP                   InChI=1/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)
           c1(c(CO)c(N)nc(C)n1)
           C(=O)(O)C=C(C(=O)O)CCC(O)=O
HOMO-CIS-ACONITATEInChI=1/C7H8O6/c8-5(9)2-1-4(7(12)13)3-6(10)11/h3H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
                      InChI=1/C7H10O7/c8-4(9)1-2-7(14,6(12)13)3-5(10)11/h14H,1-3H2,(H,8,9)(H,10,11)(H,12,13)
HOMO-CIT C(=O)(O)CCC(O)(C(O)=O)CC(O)=O
                      InChI=1/C4H9NO2S/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
HOMO-CYSC(S)CC(N)C(=O)O
HOMO-I-CIT            InChI=1/C7H10O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3,5,10H,1-2H2,(H,8,9)(H,11,12)(H,13,14)
           C(=O)(O)CCC(C(O)=O)C(O)C(O)=O
                      InChI=1/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)
HOMO-SERC(O)(=O)[CH](N)CCO
HOMOCYSTINE           InChI=1/C8H16N2O4S2/c9-5(7(11)12)1-3-15-16-4-2-6(10)8(13)14/h5-6H,1-4,9-10H2,(H,11,12)(H,13,14
           C(O)(=O)C(N)CCSSCCC(N)C(=O)O
           C(O)(=O)Cc1(c(O)ccc(O)c1)
HOMOGENTISATE         InChI=1/C8H8O4/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
           C(O)(=O)C(N)CCCSC
HOMOMETHIONINE InChI=1/C6H13NO2S/c1-10-4-2-3-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
           C1(OC(=O)C(C1)N)
HOMOSERINE-LACTONE    InChI=1/C4H7NO2/c5-3-1-2-7-4(3)6/h3H,1-2,5H2
           C=C(C)C1([CH]2(C(C)(CC1)[CH]3(C(C)(CC2)C4(C)([CH](CC3)C5(C)([CH](CC4)C(C)(C)CCC5)))))
HOP-2229-ENE          InChI=1/C30H50/c1-20(2)21-12-17-27(5)22(21)13-18-29(7)24(27)10-11-25-28(6)16-9-15-26(3,4)23(28
HOPAN-22-OL           InChI=1/C30H52O/c1-25(2)15-9-16-28(6)22(25)14-19-30(8)24(28)11-10-23-27(5)17-12-20(26(3,4)31)2
           CC(C)(O)C1([CH]2(C(C)(CC1)[CH]3(C(C)(CC2)C4(C)([CH](CC3)C5(C)([CH](CC4)C(C)(C)CCC5)))))
HS         [SH2]      InChI=1/H2S/h1H2
HSCN       C([SH])#N InChI=1/CHNS/c2-1-3/h3H
HSO3                  InChI=1/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-1
           S(=O)(O)[O-1]
HSO4                  InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-1
           S(=O)(O)(=O)[O-1]
HYALURONATE           InChI=1/C15H25NO12/c1-4(18)16-6-8(20)7(19)5(3-17)26-14(6)27-11-9(21)10(22)15(25-2)28-12(11)13
           CC(=O)NC1(C(OC(CO)C(O)C1O)OC2(C(C(O)=O)OC(OC)C(O)C2O))
           C1(=O)(C(NC(N1)=O)CCC(=O)O)
HYDANTOIN-5-PROPIONATEInChI=1/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)
           C(=O)(O)CCC1(C(=O)NC(=O)N1)
HYDANTOIN_PROPIONATE  InChI=1/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)
HYDRAZINENN           InChI=1/H4N2/c1-2/h1-2H2
           [HH]
HYDROGEN-MOLECULEInChI=1/H2/h1H
           OO
HYDROGEN-PEROXIDE InChI=1/H2O2/c1-2/h1-2H
           c1(c(O)ccc(c1)O)
HYDROQUINONE          InChI=1/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-4,7-8H
           C(O)C1(OC(C(O)C(O)C1O)Oc2(ccc(O)cc2))
                      InChI=1/C12H16O7/c13-5-8-9(15)10(16)11(17)12(19-8)18-7-3-1-6(14)2-4-7/h1-4,8-17H,5H2
HYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE
           CCCCCC(=O)C=CC1(C(C(=O)CC1O)CCCCCCC(O)=O)
                      InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h12-13
HYDROXY-915-DIOXOPROSTA-13-ENOATE
           Cc1(nc(O)c(cn1)C[n+1]2(c(C)c(CCO)ccc2))
                      InChI=1/C14H17N3O2/c1-10-12(5-7-18)4-3-6-17(10)9-13-8-15-11(2)16-14(13)19/h3-4,6,8,18H,5,7,9H2
HYDROXY-ETC-METHYLPYRIMIDINIUM
           CC(CO)=CCOP(=O)(O)OP(=O)(O)O
                      InChI=1/C5H12O8P2/c1-5(4-6)2-3-12-15(10,11)13-14(7,8)9/h2,6H,3-4H2,1H3,(H,10,11)(H2,7,8,9)
HYDROXY-METHYL-BUTENYL-DIP
           C(N)(=O)NOInChI=1/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)
HYDROXY-UREA
           CC(=O)COP(O)(O)=O
                      InChI=1/C3H7O5P/c1-3(4)2-8-9(5,6)7/h2H2,1H3,(H2,5,6,7)
HYDROXYACETONE-PHOSPHATE
           c1(ccccc1)(NO)
HYDROXYAMINOBENZENE   InChI=1/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H
           CCNC1(N=C(N=C(N=1)O)NC(C)C)
HYDROXYATRAZINE InChI=1/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)
           C1(C(=O)C=C(O)C(C=1)=O)
HYDROXYBENZOQUINONE   InChI=1/C6H4O3/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
          CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(O)c1(ccccc1))COP(=O)(O)OP(=O)(O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O)(O
HYDROXYCINNAMOYL-COA InChI=1/C30H44N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)12-18(38)17-6-4-3-5
          c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C4
                     InChI=1/C28H44N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)
HYDROXYCYCLOHEX-1-ENECARBONYL-COA
          [C-3]O
HYDROXYL-GROUP       InChI=1/CH4O/c1-2/h2H,1H3/q-3
          NO
HYDROXYLAMINE        InChI=1/H3NO/c1-2/h2H,1H2
          C(O)(=O)C(O)C(=O)O
HYDROXYMALONATE InChI=1/C3H4O5/c4-1(2(5)6)3(7)8/h1,4H,(H,5,6)(H,7,8)
          C(O)C1(C(O)C(=O)C(O)=CC1)
                     InChI=1/C7H10O4/c8-3-4-1-2-5(9)7(11)6(4)10/h2,4,6,8-10H,1,3H2
HYDROXYMETHYL-ETCETERA-DIHYDROXYCYCLOHEX
          c1(nc(c(CCC(O)=O)c1CC(=O)O)Cc2(nc(c(CC(O)=O)c2CCC(=O)O)Cc3(nc(c(CC(=O)O)c3CCC(O)=O)Cc4(c(CCC(=O)O)c(C
HYDROXYMETHYLBILANE  InChI=1/C40H46N4O17/c45-17-32-25(12-40(60)61)22(4-8-36(52)53)29(44-32)15-31-24(11-39(58)59)2
          C(=O)(O)C(O)=CC=CC=O
HYDROXYMUCONATE-SALD InChI=1/C6H6O4/c7-4-2-1-3-5(8)6(9)10/h1-4,8H,(H,9,10)
          C(O)(=O)c1(c(O)c2(c(cc1)cccc2))
HYDROXYNAPHTHOATE    InChI=1/C11H8O3/c12-10-8-4-2-1-3-7(8)5-6-9(10)11(13)14/h1-6,12H,(H,13,14)
          c1(c(O)c2(c(cc1)C(=O)C=CC(=O)2))
HYDROXYNAPHTHOQUINONEInChI=1/C10H6O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-5,12H
          C(=O)CCO
HYDROXYPROPANAL InChI=1/C3H6O2/c4-2-1-3-5/h2,5H,1,3H2
          c1([n+1](O)cc(O)cc1)
                     InChI=1/C5H11NO2/c7-5-2-1-3-6(8)4-5/h5,7-8H,1-4H2/p+1
HYDROXYPYRIDINE-N-OXIDE
          CCCCCCCCCCC(C(O)=O)C(O)(C(O)=O)CC(O)=O
                     InChI=1/C16H28O7/c1-2-3-4-5-6-7-8-9-10-12(14(19)20)16(23,15(21)22)11-13(17)18/h12,23H,2-11H2,
HYDROXYTRIDECANE-ETCETERA-TRICARBOXYLATE
          [CH](=O)Cc1(ccc(O)cc1)
HYDRPHENYLAC-CPD InChI=1/C8H8O2/c9-6-5-7-1-3-8(10)4-2-7/h1-4,6,10H,5H2
          C(O)C(N)C4(OC1(OC2(C(O1)C(OC(C2O)CO)OC3(C(O)C(NC)CC(N)C3O)))(C(O)C(O)C4O))
HYGROMYCIN-B         InChI=1/C20H37N3O13/c1-23-7-2-5(21)9(26)15(10(7)27)33-19-17-16(11(28)8(4-25)32-19)35-20(36-17
          C(N)C[SH](=O)=O
HYPOTAURINE          InChI=1/C2H7NO2S/c3-1-2-6(4)5/h6H,1-3H2
          C(NC(N)=N)CS(=O)(O)=O
HYPOTAUROCYAMINE InChI=1/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
          c12(c(nc[nH]1)c(=O)[nH]cn2)
HYPOXANTHINE         InChI=1/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
          CCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O
ICOSANOYL-COA        InChI=1/C41H74N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32(50)69-25-24-43-
IDITOL               InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2
          C(O)C(O)C(O)C(O)C(O)CO
IDOSE                InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
          [CH]1(O)(O[CH](CO)[CH](O)[CH](O)[CH](O)1)
IDP                  InChI=1/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-1
          c12(c(c(=O)[nH]cn1)ncn2[CH]3(O[CH]([CH](O)[CH](O)3)COP(O)(=O)OP(O)(=O)O))
IDURONATE            InChI=1/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)
          C(=O)(O)C1(C(O)C(O)C(O)C(O)O1)
ILE                  InChI=1/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
          CC(CC)C(N)C(O)=O
          c1(c(nc[nH]1)CC(=O)COP(=O)(O)O)
IMIDAZOLE-ACETOL-P InChI=1/C6H9N2O5P/c9-6(3-13-14(10,11)12)1-5-2-7-4-8-5/h2,4H,1,3H2,(H,7,8)(H2,10,11,12)
          c1(c(nc[nH]1)C[CH](O)C(O)=O)
IMIDAZOLE-LACTATE InChI=1/C6H8N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3,5,9H,1H2,(H,7,8)(H,10,11)
          C(=O)(O)C(=O)Cc1(c[nH]cn1)
IMIDAZOLE-PYRUVATE InChI=1/C6H6N2O3/c9-5(6(10)11)1-4-2-7-3-8-4/h2-3H,1H2,(H,7,8)(H,10,11)
          c1(c[nH]cn1)
IMIDAZOLE-RING       InChI=1/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)
          c1(c(CC=O)nc[nH]1)
                     InChI=1/C5H6N2O/c8-2-1-5-3-6-4-7-5/h2-4H,1H2,(H,6,7)
IMIDAZOLE_ACETALDEHYDE
          [C-2]=N
IMINO-GROUP          InChI=1/CH3N/c1-2/h2H,1H2/q-2
          C(=O)(O)C(=N)CC(O)=O
IMINOASPARTATE       InChI=1/C4H5NO4/c5-2(4(8)9)1-3(6)7/h5H,1H2,(H,6,7)(H,8,9)
IMP                  InChI=1/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6
          C(OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]cn3)))
                     InChI=1/C14H17NO6/c16-6-10-11(17)12(18)13(19)14(21-10)20-9-5-15-8-4-2-1-3-7(8)9/h1-5,10-19H,6
INDICAN c1(c(c2(c(n1)cccc2))OC3(C(O)C(O)C(O)C(O3)CO))
          c1(c(c2(c(n1)cccc2))CC(=O)OC3(C(O)C(O)C(C(O)C3O)OC4(C(O)C(O)C(O)CO4)))
                     InChI=1/C21H27NO11/c23-11-7-31-21(18(30)13(11)25)33-20-16(28)14(26)19(15(27)17(20)29)32-12(2
INDOL-YLACETYL-MYO-INOSITOL-ARABINOSIDE
INDOLE               InChI=1/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
          c1([nH]c2(c(c1)cccc2))
          c1(c(CC=NO)c2(c([nH]1)cccc2))
INDOLE-3-ACETALDOXIMEInChI=1/C10H10N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11,13H,5H2
          C(O)(=O)C(C)NC(=O)Cc2(c[nH]c1(ccccc12))
INDOLE-3-ACETYL-ALA InChI=1/C13H14N2O3/c1-8(13(17)18)15-12(16)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7-8,14H,6H2,1H3,(H
          C(=O)(O)CC(C(=O)O)NC(=O)Cc1(c2(c([nH]c1)cccc2))
INDOLE-3-ACETYL-ASP InChI=1/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5
          C(O)C1(C(C(O)C(O)C(O1)O)OC(=O)Cc2(c[nH]c3(ccccc23)))
                     InChI=1/C16H19NO7/c18-7-11-15(13(20)14(21)16(22)23-11)24-12(19)5-8-6-17-10-4-2-1-3-9(8)10/h1-
INDOLE-3-ACETYL-BETA-4-D-GLUCOSE
          C(C1(C(O)C(O)C(O)C(O)O1))OC(=O)Cc2(c3(c([nH]c2)cccc3))
                     InChI=1/C16H19NO7/c18-12(5-8-6-17-10-4-2-1-3-9(8)10)23-7-11-13(19)14(20)15(21)16(22)24-11/h1-
INDOLE-3-ACETYL-BETA-6-D-GLUCOSE
          C(=O)(NC(C(=O)O)CCC(N)=O)Cc1(c[nH]c2(c1cccc2))
INDOLE-3-ACETYL-GLN InChI=1/C15H17N3O4/c16-13(19)6-5-12(15(21)22)18-14(20)7-9-8-17-11-4-2-1-3-10(9)11/h1-4,8,12,17
          C(NC(C(O)=O)CCC(O)=O)(=O)Cc1(c2(c([nH]c1)cccc2))
INDOLE-3-ACETYL-GLU InChI=1/C15H16N2O5/c18-13(17-12(15(21)22)5-6-14(19)20)7-9-8-16-11-4-2-1-3-10(9)11/h1-4,8,12,16
          C(=O)(NC(C(O)=O)CC(C)C)Cc2(c[nH]c1(ccccc12))
INDOLE-3-ACETYL-LEU InChI=1/C16H20N2O3/c1-10(2)7-14(16(20)21)18-15(19)8-11-9-17-13-6-4-3-5-12(11)13/h3-6,9-10,14,1
          c1(c([CH]=O)c2(c([nH]1)cccc2))
                     InChI=1/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H
INDOLE-3-CARBOXALDEHYDE
          C(OP(=O)(O)O)C(O)C(O)c1(c2(c([nH]c1)cccc2))
INDOLE-3-GLYCEROL-P InChI=1/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,1
          c1(c(C(O)CO)c2(c([nH]1)cccc2))
INDOLE-3-GLYCOL      InChI=1/C10H11NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,10-13H,6H2
          c1(c(C(O)C(O)=O)c2(c([nH]1)cccc2))
INDOLE-3-GLYCOLATE InChI=1/C10H9NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,9,11-12H,(H,13,14)
          c1(c(C(=O)C(O)=O)c2(c([nH]1)cccc2))
INDOLE-3-GLYOXYLATEInChI=1/C10H7NO3/c12-9(10(13)14)7-5-11-8-4-2-1-3-6(7)8/h1-5,11H,(H,13,14)
          c1(c(C(=O)CO)c2(c([nH]1)cccc2))
INDOLE-3-KETOL        InChI=1/C10H9NO2/c12-6-10(13)8-5-11-9-4-2-1-3-7(8)9/h1-5,11-12H,6H2
          C1(=NC(CS1)C(=O)O)c2(c3(c([nH]c2)cccc3))
                      InChI=1/C12H10N2O2S/c15-12(16)10-6-17-11(14-10)8-5-13-9-4-2-1-3-7(8)9/h1-5,10,13H,6H2,(H,15,1
INDOLE-CARBOXY-HYDRO-THIAZOLE
          c2(c(C1(=NC(=CS1)C(=O)[OH]))c3(c([nH]2)cccc3))
                      InChI=1/C12H8N2O2S/c15-12(16)10-6-17-11(14-10)8-5-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,15,16)
INDOLE-CARBOXYL-THIAZOLE
          c1(c(C([OH])SCC([NH2])C([OH])=O)c2(c([nH]1)cccc2))
                      InChI=1/C12H14N2O3S/c13-9(11(15)16)6-18-12(17)8-5-14-10-4-2-1-3-7(8)10/h1-5,9,12,14,17H,6,13H
INDOLE-HYDROXYMETHYL-S-CYSTEINE-ADDUCT
          c2(c(C1([NH]C(CS1)C(=O)[OH]))c3(c([nH]2)cccc3))
                      InChI=1/C12H12N2O2S/c15-12(16)10-6-17-11(14-10)8-5-13-9-4-2-1-3-7(8)9/h1-5,10-11,13-14H,6H2,(
INDOLE-TETRAHYDRO-THIAZOLE
          c1(c(CC#N)c2(c([nH]1)cccc2))
INDOLEYL-CPD          InChI=1/C10H8N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5H2
          c1(c(CC=O)c2(c([nH]1)cccc2))
INDOLE_ACETALDEHYDE   InChI=1/C10H9NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,6-7,11H,5H2
          c1(c(CC(=O)O)c2(c([nH]1)cccc2))
INDOLE_ACETATE_AUXIN  InChI=1/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)
          C(O)(=O)C(O)Cc1(c2(c([nH]c1)cccc2))
INDOLE_LACTATE        InChI=1/C11H11NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,10,12-13H,5H2,(H,14,15)
          C(O)(=O)C(=O)Cc2(c[nH]c1(ccccc12))
INDOLE_PYRUVATE InChI=1/C11H9NO3/c13-10(11(14)15)5-7-6-12-9-4-2-1-3-8(7)9/h1-4,6,12H,5H2,(H,14,15)
                      InChI=1/C8H7NO/c10-8-5-9-7-4-2-1-3-6(7)8/h1-5,9-10H
INDOXYL c1(c(O)c2(c(n1)cccc2))
                      InChI=1/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H
INOSINE C(O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]cn3)))
          C1(C(OP(O)([O-1])=O)C(O)C(O)C(C(O)1)OP(O)([O-1])=O)(O)
                      InChI=1/C6H14O12P2/c7-1-2(8)6(18-20(14,15)16)4(10)3(9)5(1)17-19(11,12)13/h1-10H,(H2,11,12,13)(
INOSITOL-1,4-BISPHOSPHATE
          C1(C(OP(O)([O-1])=O)C(O)C(O)C(C(O)1)OP(O)([O-1])=O)(OP(O)([O-1])=O)
                      InChI=1/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2
INOSITOL-1-3-4-TRIPHOSPHATE
          C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(C(O)1)OP(O)([O-1])=O)(O)
                      InChI=1/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)
INOSITOL-1456-TETRAKISPHOSPHATE
                      InChI=1/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2
INS356P3 C1(C(O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(O)C(O)1)(OP(O)([O-1])=O)
INULOBIOSE            InChI=1/C12H22O11/c13-1-5-7(16)9(18)11(20,22-5)4-21-12(3-15)10(19)8(17)6(2-14)23-12/h5-10,13-2
          C(O)C1(OC(O)(C(O)C1O)COC2(CO)(C(O)C(O)C(O2)CO))
          II
IODINE-MOLECULE       InChI=1/I2/c1-2
          C(I)C(=O)N InChI=1/C2H4INO/c3-1-2(4)5/h1H2,(H2,4,5)
IODOACETAMIDE
          C(I)C([O-1])=O
IODOACETATE           InChI=1/C2H3IO2/c3-1-2(4)5/h1H2,(H,4,5)/p-1
IODOETHANECCI         InChI=1/C2H5I/c1-2-3/h2H2,1H3
ISATIN                InChI=1/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
          C1(=O)(C(=O)c2(c(N1)cccc2))
          CC(C)O
ISO-PROPANOL          InChI=1/C3H8O/c1-3(2)4/h3-4H,1-2H3
          CC(C)C(=O)OP(O)(=O)O
ISOBUTANOATE-P        InChI=1/C4H9O5P/c1-3(2)4(5)9-10(6,7)8/h3H,1-2H3,(H2,6,7,8)
ISOBUTANOLCC(C)CO InChI=1/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
          CC(C)C(=O)N
ISOBUTYRAMIDE         InChI=1/C4H9NO/c1-3(2)4(5)6/h3H,1-2H3,(H2,5,6)
          CC(C)C(=O)O
ISOBUTYRATE           InChI=1/C4H8O2/c1-3(2)4(5)6/h3H,1-2H3,(H,5,6)
          c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)C(C
ISOBUTYRYL-COA        InChI=1/C25H42N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44
          C(O)(=O)C1(C(O)C(C=CC=1)OC(=C)C(=O)O)
ISOCHORISMATE         InChI=1/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)
          C1(OC(=O)Cc2(c1cccc2))
ISOCHROMANONE         InChI=1/C9H8O2/c10-9-5-7-3-1-2-4-8(7)6-11-9/h1-4H,5-6H2
ISOEUGENOL            InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3-7,11H,1-2H3
          CC=Cc1(cc(OC)c(O)cc1)
          C           InChI=1/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
ISOFLAVONE2(=C(c1(ccc(O)cc1))C(=O)c3(c(O2)cc(O)cc(O)3))
          C(N)(=O)C(N)CCC(O)=O
ISOGLUTAMINE          InChI=1/C5H10N2O3/c6-3(5(7)10)1-2-4(8)9/h3H,1-2,6H2,(H2,7,10)(H,8,9)
          CC=Cc1(cc(OC)c(OC)cc1)
ISOMETHYLEUGENOL InChI=1/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4-8H,1-3H3
                      InChI=1/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)
ISONIAZIDEc1(cc(C(=O)NN)ccn1)
          C(CC(N)C(O)=O)Oc1(ccc(cc1)C(=NO)C(=O)NC2(C(=O)N(C2)C(C(O)=O)c3(ccc(O)cc3)))
ISONOCARDICIN-A       InChI=1/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17
          C           InChI=1/C21H20O11/c22-6-14-17(28)18(29)19(30)21(32-14)16-11(26)4-10(25)15-12(27)5-13(31-20(15
ISOORIENTIN(O)C1(OC(C(O)C(O)C1O)C4(C3(OC(C2(=CC(O)=C(O)C=C2))=CC(=O)C=3C(O)=CC(O)=4)))
          CC1(C)([CH](C([O-1])=O)N2([CH](S1)[CH](C2=O)NC(=O)CCC[CH]([N+1])C(O)=O))
ISOPENICILLIN-N       InChI=1/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,
          CC(C)=CCNc1(c2(c(ncn1)N(C=N2)C3(OC(C(O)C3O)COP(O)(O)=O)))
                      InChI=1/C15H22N5O7P/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(22)11(21)9(27-15)5-26-
ISOPENTENYLADENOSINE-5-MONOPHOS
          c1(cc2(c(cc1)N=C3(C(O2)=CC(=O)C(=C3)N)))
ISOPHENOXAZINE        InChI=1/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2
          CC(C)N
ISOPROPYLAMINE        InChI=1/C3H9N/c1-3(2)4/h3H,4H2,1-2H3
          C1(=C2(C(=CC=N1)C=CC=C2))(O)
ISOQUINOLIN-12H-ONE   InChI=1/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)
          C1(C2(=C(C=CN=1)C=CC=C2))
ISOQUINOLINE          InChI=1/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H
          C(O)C1(OC(C(O)C(O)C1O)Oc2(c(O)c3(c(cc2O)oc(cc3=O)c4(cc(OC)c(O)cc4))))
ISOSCOPARIN           InChI=1/C22H22O12/c1-31-13-4-8(2-3-9(13)24)12-5-10(25)16-14(32-12)6-11(26)21(18(16)28)34-22-2
          CC(C)CC(=O)O
ISOVALERATE           InChI=1/C5H10O2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3,(H,6,7)
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(
ISOVALERYL-COA        InChI=1/C26H44N7O17P3S/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,
                       InChI=1/C21H20O10/c22-7-14-17(26)19(28)20(29)21(31-14)16-11(25)6-13-15(18(16)27)10(24)5-12(30
ISOVITEXINC(O)C1(OC(C(O)C(O)C1O)c2(c(O)c3(c(cc2O)oc(cc3=O)c4(ccc(O)cc4))))
           C(O)C1(OC(C(O)C(O)C1O)OC2(C(OC(CO)C(O)C2O)c3(c(O)c4(c(cc3O)oc(cc4=O)c5(ccc(O)cc5)))))
                       InChI=1/C27H30O15/c28-7-15-20(34)23(37)26(42-27-24(38)22(36)19(33)16(8-29)41-27)25(40-15)18-1
ISOVITEXIN-2-O-B-D-GLUCOSIDE
           c1(=O)(n(c(=O)[nH]cc1)CC(N)C(O)=O)
ISOWILLARDIINE         InChI=1/C7H9N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4H,3,8H2,(H,9,14)(H,12,13)
                       InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h1-2H2,(H,6,7)(H,8,9)
ITACONATEC(O)(=O)CC(=C)C(O)=O
ITP                    InChI=1/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5
           c1(c2(c(nc[nH]1)n(cn2)[CH]3(O[CH]([CH](O)[CH]3O)COP(=O)(O)OP(=O)(O)OP(O)(=O)O)))(=O)
K+         [K+1]       InChI=1/K/q+1
           [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
K-BUTYRYL-COA          InChI=1/C25H40N7O18P3S/c1-4-13(33)24(38)54-8-7-27-15(34)5-6-28-22(37)19(36)25(2,3)10-47-53(44
           [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(O)=O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
K-HEXANOYL-COA         InChI=1/C27H44N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-
KCL        [Cl-1][K+1] InChI=1/ClH.K/h1H;/q;+1/p-1
KDO                    InChI=1/C8H14O8/c9-2-5(12)7(14)6(13)3(10)1-4(11)8(15)16/h3,5-7,9-10,12-14H,1-2H2,(H,15,16)
           C(O)(=O)C(=O)CC(O)C(O)C(O)C(O)CO
KDO-8P                 InChI=1/C8H15O11P/c9-3(1-4(10)8(14)15)6(12)7(13)5(11)2-19-20(16,17)18/h3,5-7,9,11-13H,1-2H2,(H
           C(OP(O)(O)=O)C(O)C(O)C(O)C(O)CC(=O)C(O)=O
           CCCCCCCCCCCC(O)CC(=O)NC1(C(OC(=O)CC(O)CCCCCCCCCCC)C(O)C(OC1OP(O)(O)=O)COC2(C(NC(=O)CC(O)CCCCCC
KDO-LIPID-IVA          InChI=1/C76H142N2O30P2/c1-5-9-13-17-21-25-29-33-37-41-53(80)45-61(86)77-65-71(104-63(88)47-
           CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(NC(=O)CC(CCCCCCCC
KDO2-LAUROYL-LIPID-IVA InChI=1/C96H176N2O38P2/c1-6-11-16-21-26-31-36-41-46-51-66(101)56-76(107)97-81-89(130-79(110
           CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(NC(=O)CC(CCCCCCCC
KDO2-LIPID-A           InChI=1/C110H202N2O39P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-92(123)142-82(66-60-54-48-42-
           CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(NC(=O)CC(O)CCCCCC
KDO2-LIPID-IVA         InChI=1/C84H154N2O37P2/c1-5-9-13-17-21-25-29-33-37-41-55(89)45-65(96)85-69-77(117-67(98)47-
           CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(C(C(OP(O)(O)=O)C(O
KDO2-LIPID-IVA-COLD InChI=1/C114H208N2O39P2/c1-7-13-19-25-31-37-39-40-42-48-54-59-65-71-95(126)145-85(69-63-57-
           CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(C(OC(=O)CC(O)CCCCC
                       InChI=1/C100H182N2O38P2/c1-6-11-16-21-26-31-32-33-34-39-44-49-54-59-82(113)131-73(58-53-48-
KDO2-PALMITOLEOYL-LIPID-IVA
           C(=O)(O)C(=O)C=O
KETOPYRUVATE           InChI=1/C3H2O4/c4-1-2(5)3(6)7/h1H,(H,6,7)
           C2(C(c1(c(O)cc(O)cc1))C(=O)c3(c(O2)c(CC=C(C)C)c(O)cc(O)3))
KIEVITONE-CPD          InChI=1/C20H20O6/c1-10(2)3-5-13-16(23)8-17(24)18-19(25)14(9-26-20(13)18)12-6-4-11(21)7-15(12)2
KYNURENATE             InChI=1/C10H7NO3/c12-9-5-8(10(13)14)11-7-4-2-1-3-6(7)9/h1-5H,(H,11,12)(H,13,14)
           C(=O)(O)c1(cc(O)c2(c(n1)cccc2))
           C(O)C(O)COP(=O)(O)OCC[N+1](C)(C)C
                       InChI=1/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1
L-1-GLYCERO-PHOSPHORYLCHOLINE
           C(CN)OP(O)(=O)OCC(O)CO
                       InChI=1/C5H14NO6P/c6-1-2-11-13(9,10)12-4-5(8)3-7/h5,7-8H,1-4,6H2,(H,9,10)
L-1-GLYCEROPHOSPHORYLETHANOL-AMINE
           [CH2](OP([O-1])(=O)O[CH2][CH2][N+1]([CH3])([CH3])[CH3])[CH](OC(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH
L-1-LECITHIN           InChI=1/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(
           CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(O)(=O)O
L-1-LYSOPHOSPHATIDATE  InChI=1/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25
           C1(NC(=O)C(N)CCC1)
                       InChI=1/C6H12N2O/c7-5-3-1-2-4-8-6(5)9/h5H,1-4,7H2,(H,8,9)
L-2-AMINO-HEXANO-6-LACTAM
           C(=O)(O)CCCC(N)C(O)=O
L-2-AMINOHEXANEDIOATE  InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)
           C(O)(=O)C(N)CCCC
L-2-AMINOHEXANOATE     InChI=1/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)
           C(O)(=O)C(N)CCC
L-2-AMINOPENTANOIC-ACIDInChI=1/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
           CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(O)=O
L-2-HYDROXYPHYTANATE   InChI=1/C20H40O3/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(21)20(22)23/h15-19,21H,6-14
           C(O)(=O)C(N)CN
L-23-DIAMINOPROPANOATE InChI=1/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)
           C1(C(O)CC(N1)C(=O)O)
L-4-HYDROXY-PROLINE InChI=1/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)
           C(O)(=O)C(N)CC(O)C=O
                       InChI=1/C5H9NO4/c6-4(5(9)10)1-3(8)2-7/h2-4,8H,1,6H2,(H,9,10)
L-4-HYDROXYGLUTAMATE_SEMIALDEHYDE
           CC(N)C(=O)NC(C(O)=O)CCC(=O)NC(C(O)=O)CCCC(N)C(O)=O
L-ALA-D-GLU-MESOA2PM   InChI=1/C15H26N4O8/c1-7(16)12(21)19-10(15(26)27)5-6-11(20)18-9(14(24)25)4-2-3-8(17)13(22)23/h
           C(C(C)N)(=O)NC(C(O)=O)CCC(=O)O
L-ALA-GAMMA-D-GLU InChI=1/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,
           CC(N)C(=O)NC(CCC(O)=O)C(=O)NC(C(O)=O)CCCC(N)C(O)=O
L-ALA-GAMMA-D-GLU-DAP  InChI=1/C15H26N4O8/c1-7(16)12(22)18-9(5-6-11(20)21)13(23)19-10(15(26)27)4-2-3-8(17)14(24)25/h
           C(O)(=O)C(N)C(C)O
L-ALLO-THREONINE InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
           C(O)(=O)C(N)C
L-ALPHA-ALANINE        InChI=1/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)
           C(O)(=O)C(=O)CCCC(N)C(=O)O
                       InChI=1/C7H11NO5/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4H,1-3,8H2,(H,10,11)(H,12,13)
L-ALPHA-AMINO-EPSILON-KETO-PIMELATE
           CCCCCCCCCCCC(O)CC(=O)NC2(C(OP(O)(=O)OC1(C(O)C(O)C(N)CO1))OC(C(O)C2OC(=O)CC(O)CCCCCCCCCCC)COC4(C
                       InChI=1/C120H220N4O45P2/c1-7-13-19-25-31-37-38-44-50-56-62-68-96(135)158-84(66-60-54-48-42-
L-ARA4N-MODIFIED-KDO2-LIPID-A
           C1(C(O)C(O)C(O)C(O1)=O)
L-ARABINO-1-5-LACTONE  InChI=1/C5H8O5/c6-2-1-10-5(9)4(8)3(2)7/h2-4,6-8H,1H2
                       InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
L-ARABITOLC(O)C(O)C(O)C(O)CO
           C(NC(=N)NP(O)(O)=O)CCC(N)C(O)=O
L-ARGININE-P           InChI=1/C6H15N4O5P/c7-4(5(11)12)2-1-3-9-6(8)10-16(13,14)15/h4H,1-3,7H2,(H,11,12)(H5,8,9,10,13,
           C(=O)(O)C(N)CCCNC(=N)NC(C(O)=O)CC(O)=O
L-ARGININO-SUCCINATE   InChI=1/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,1
           C(OP(O)(O)=O)C(O)C1(C(O)=C(O)C(O1)=O)
L-ASCORBATE-6-PHOSPHATEInChI=1/C6H9O9P/c7-2(1-14-16(11,12)13)5-3(8)4(9)6(10)15-5/h2,5,7-9H,1H2,(H2,11,12,13)
L-ASPARTATE            InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)
           C(O)(=O)C(N)CC(=O)O
           [CH](=O)CC(N)C(O)=O
                       InChI=1/C4H7NO3/c5-3(1-2-6)4(7)8/h2-3H,1,5H2,(H,7,8)
L-ASPARTATE-SEMIALDEHYDE
           C           InChI=1/C5H7N3O4/c6-3(5(10)11)2-12-4(9)1-8-7/h1,3H,2,6H2,(H,10,11)
L-AZASERINE(C=[N+1]=[N-1])(=O)OCC(N)C(O)=O
           C(=O)(OP(=O)(O)O)CC(N)C(O)=O
L-BETA-ASPARTYL-P InChI=1/C4H8NO7P/c5-2(4(7)8)1-3(6)12-13(9,10)11/h2H,1,5H2,(H,7,8)(H2,9,10,11)
                      InChI=1/C4H10N2O3/c5-3(4(7)8)1-2-9-6/h3H,1-2,5-6H2,(H,7,8)
L-CANALINEC(ON)CC(N)C(O)=O
           C([N+1](C)(C)C)C(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(O)(=O)OCC1(OC(C(O)C1OP(O)(=O)O)n2
L-CARNITINYL-COA      InChI=1/C28H49N8O18P3S/c1-28(2,23(41)26(42)31-7-6-18(38)30-8-9-58-19(39)10-16(37)11-36(3,4)5)
           C(O)(=O)C(N)CCCNC(=O)N
L-CITRULLINE          InChI=1/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)
           C(CC(N)C(O)=O)SCC(N)C(=O)O
L-CYSTATHIONINE       InChI=1/C7H14N2O4S/c8-4(6(10)11)1-2-14-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
                      InChI=1/C3H7NO5S/c4-2(3(5)6)1-10(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
L-CYSTEATEC(S(=O)(O)=O)C(N)C(O)=O
           C(O)(=O)C(N)C[SH](=O)=O
L-CYSTEINE_SULFINATEInChI=1/C3H7NO4S/c4-2(3(5)6)1-9(7)8/h2,9H,1,4H2,(H,5,6)
           C1(OC(C(O)CO)C(=O)C(=O)1)(=O)
L-DEHYDRO-ASCORBATE   InChI=1/C6H6O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-8H,1H2
           C(O)(=O)C(N)Cc1(ccc(O)c(O)c1)
                      InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
L-DIHYDROXY-PHENYLALANINE
L-DOPA                InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
           C(O)(=O)C(N)CC1(=CC(O)=C(O)C=C1)
           C(=O)(O)C1(NC2(C(=C1)CC(=O)C(C=2)=O))
L-DOPACHROME          InChI=1/C9H7NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h1,3,6,10H,2H2,(H,13,14)
           C(NC)C(O)c1(cc(O)c(O)cc1)
L-EPINEPHRINE         InChI=1/C9H13NO3/c1-10-5-9(13)6-2-3-7(11)8(12)4-6/h2-4,9-13H,5H2,1H3
           C(O)(=O)C(N)CC(O)C(=O)O
                      InChI=1/C5H9NO5/c6-2(4(8)9)1-3(7)5(10)11/h2-3,7H,1,6H2,(H,8,9)(H,10,11)
L-ERYTHRO-4-HYDROXY-GLUTAMATE
           C(=O)(O)C(N)CCC(O)CN
                      InChI=1/C6H14N2O3/c7-3-4(9)1-2-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)
L-ERYTHRO-5-HYDROXY-LYSINE
           C(O)C1(OC(=O)C=C1)
L-ERYTHRO-ASCORBATE   InChI=1/C5H6O3/c6-3-4-1-2-5(7)8-4/h1-2,4,6H,3H2
                      InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3
L-FUCOSE C1(C(O)C(O)C(O)C(C)O1)(O)
L-FUCULOSE            InChI=1/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3
           C[CH](O)[CH](O)[CH](O)C(=O)CO
L-GALACTOSE           InChI=1/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2
           C1(C(O)C(O)C(O)C(O1)CO)(O)
           C(O)(=O)C(N)CCC(=O)NC(CS)C(O)=O
                      InChI=1/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)
L-GAMMA-GLUTAMYLCYSTEINE
           C(=O)(O)C(N)CCC(=O)OP(O)(O)=O
L-GLUTAMATE-5-P       InChI=1/C5H10NO7P/c6-3(5(8)9)1-2-4(7)13-14(10,11)12/h3H,1-2,6H2,(H,8,9)(H2,10,11,12)
           C(=O)(O)C(N)CCC=O
                      InChI=1/C5H9NO3/c6-4(5(8)9)2-1-3-7/h3-4H,1-2,6H2,(H,8,9)
L-GLUTAMATE_GAMMA-SEMIALDEHYDE
           C(O)C(O)C=O
L-GLYCERALDEHYDE InChI=1/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2
           C(=O)C(O)COP(O)(O)=O
                      InChI=1/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)
L-GLYCERALDEHYDE-3-PHOSPHATE
L-GULONATE            InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)
           C(O)C(O)C(O)C(O)C(O)C(O)=O
           C(O)C(O)[CH]1(C(O)C(O)C(O1)=O)
L-GULONO-1-4-LACTONE  InChI=1/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2
           c1(c(nc[nH]1)CC(N)COP(O)(O)=O)
L-HISTIDINOL-P        InChI=1/C6H12N3O4P/c7-5(3-13-14(10,11)12)1-6-2-8-4-9-6/h2,4-5H,1,3,7H2,(H,8,9)(H2,10,11,12)
           C(O)C(c1(ccccc1))C(=O)OC2(C[CH]3(N(C)[CH](C2)CC3))
L-HYOSCYAMINE         InChI=1/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,1
                      InChI=1/C6H12O7/c7-1-2(8)3(9)4(10)5(11)6(12)13/h2-5,7-11H,1H2,(H,12,13)
L-IDONATE C(O)C(O)C(O)C(O)C(O)C(=O)O
           C(=O)(O)C(=O)CC(=O)N
L-KETO-SUCCINAMATE InChI=1/C4H5NO4/c5-3(7)1-2(6)4(8)9/h1H2,(H2,5,7)(H,8,9)
           C(=O)(O)C(N)CC(=O)c1(c(N)cccc1)
L-KYNURENINE          InChI=1/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)
L-LACTATE CC(O)C(O)=O InChI=1/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)
                      InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
L-LYXOSE C1(C(O)C(O)C(O)C(O1)O)
           C(O)(=O)C(N)CCS(C)=O
L-METHIONINE_SULFOXIDEInChI=1/C5H11NO3S/c1-10(9)3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
           C1(O)(C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C(OP(O)(O)=O)C1OP(O)(O)=O)
                      InChI=1/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)
L-MYO-INOSITOL-12346-PENTAKISPHOSPHA
           C(NC(N)=N)CCC(C(O)=O)NCCC(O)=O
                      InChI=1/C9H18N4O4/c10-9(11)13-4-1-2-6(8(16)17)12-5-3-7(14)15/h6,12H,1-5H2,(H,14,15)(H,16,17)(H
L-N2-2-CARBOXYETHYLARGININE
L-ORNITHINE           InChI=1/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
           C(N)CCC(N)C(O)=O
           C          InChI=1/C6H12O4/c1-6(2,3-7)4(8)5(9)10/h4,7-8H,3H2,1-2H3,(H,9,10)
L-PANTOATE (O)C(C)(C)C(O)C(=O)O
           C(=O)(O)C1(CCCCN1)
L-PIPECOLATE          InChI=1/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)
           CC(O)C1(C(O)C(O)C(O1)=O)
L-RHAMNO-14-LACTONE   InChI=1/C6H10O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-5,7-9H,1H3
           CC(O)C1(C(O)C(O)C(O1)O)
L-RHAMNOFURANOSE InChI=1/C6H12O5/c1-2(7)5-3(8)4(9)6(10)11-5/h2-10H,1H3
           C(=O)(O)C(O)C(O)C(O)C(O)C
L-RHAMNONATE          InChI=1/C6H12O6/c1-2(7)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H3,(H,11,12)
                      InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2
L-RIBULOSEC(O)C(=O)C(O)C(O)CO
           C(OP(O)(O)=O)C(O)C(O)C(=O)CO
L-RIBULOSE-5-P        InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)
           C(=O)(O)C(N)C[SeH]
L-SELENOCYSTEINE      InChI=1/C3H7NO2Se/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)
           C(O)C1(O)(OC(C(O)C1O)COP(O)(O)=O)
L-TAGATOSE-6-PHOSPHATEInChI=1/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)
           C(O)(=O)[CH](N)C(C)C(=O)O
                      InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)
L-THREO-3-METHYL-ASPARTATE
L-THREONATE           InChI=1/C4H8O5/c5-1-2(6)3(7)4(8)9/h2-3,5-7H,1H2,(H,8,9)
           C(=O)(O)C(O)C(O)CO
           C[CH]([CH](N)C(O)=O)OP(O)(O)=O
                      InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
L-THREONINE-O-3-PHOSPHATE
L-THYROXINE           InChI=1/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2
           C(=O)(O)C(N)Cc1(cc(I)c(c(c1)I)Oc2(cc(I)c(O)c(I)c2))
           C(=O)(OC)C(N)Cc1(ccc(O)cc1)
                      InChI=1/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3
L-TYROSINE-METHYL-ESTER
           C(=O)(OC)C(N)Cc1(ccc(cc1)OS(=O)(O)=O)
                      InChI=1/C10H13NO6S/c1-16-10(12)9(11)6-7-2-4-8(5-3-7)17-18(13,14)15/h2-5,9H,6,11H2,1H3,(H,13,1
L-TYROSINE-METHYL-ESTER-4-SULFATE
L-XYLONATE            InChI=1/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)
           C(O)(=O)C(O)C(O)C(O)CO
           C(O)C1(C(O)C(O)C(O1)=O)
L-XYLONO-14-LACTONE   InChI=1/C5H8O5/c6-1-2-3(7)4(8)5(9)10-2/h2-4,6-8H,1H2
                      InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2
L-XYLOSE C(O)C(O)C(O)C(O)C=O
                      InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2
L-XYLULOSEC(O)C(=O)C(O)C(O)CO
           C(O)C(=O)C(O)C(O)COP(O)(O)=O
L-XYLULOSE-5-P        InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)
LACTALD C(=O)C(C)OInChI=1/C3H6O2/c1-3(5)2-4/h2-3,5H,1H3
           CCCCCCC1(C(C1)CCCCCCCCCC(=O)O)
LACTOBACILLIC_ACID InChI=1/C19H36O2/c1-2-3-4-10-13-17-16-18(17)14-11-8-6-5-7-9-12-15-19(20)21/h17-18H,2-16H2,1H
                      InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2
LACTOSE C1(OC(CO)C(O)C(O)C(O)1)OC2(C(CO)OC(O)C(O)C(O)2)
LACTOSE-6P            InChI=1/C12H23O14P/c13-1-3-10(7(16)8(17)11(19)24-3)26-12-9(18)6(15)5(14)4(25-12)2-23-27(20,21
           C(O)C1(C(C(O)C(O)C(O1)O)OC2(OC(C(O)C(O)C2O)COP(O)(O)=O))
LACTOYL-COA           InChI=1/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44
           C([CH]1(O[CH]([CH](O)[CH]1OP(=O)(O)O)n2(c3(c(nc2)c(N)ncn3))))OP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=
LANOSTEROL            InChI=1/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(2
           CC(C)=CCCC(C)C1(C2(C)(C(C)(CC1)C3(=C(CC2)C4(C)(C(CC3)C(C)(C)C(O)CC4))))
                      InChI=1/C7H12N4O2/c8-5(6(12)13)3-4-1-2-10-7(9)11-4/h1-2,5,10-11H,3,8-9H2,(H,12,13)
LATHYRINE C(=O)(O)C(N)Cc1(cc[nH]c(N)[nH]1)
           CC1(C(=C(C)CCC1)CCC(C)=COC=O)(C)
LATIA-LUCIFERIN       InChI=1/C15H24O2/c1-12(10-17-11-16)7-8-14-13(2)6-5-9-15(14,3)4/h10-11H,5-9H2,1-4H3
           C(CSC(=O)CCCCCCCCCCC)NC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(=O
LAUROYLCOA-CPD        InChI=1/C33H58N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-24(42)61-17-16-35-23(41)14-15-36-31(45)28(
LEU                   InChI=1/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)
           CC(C)CC(N)C(=O)O
           c3(c2(OC(c1(ccc(O)cc1))C(O)C(O)c2c(O)cc(O)3))
LEUCOPELARGONIDIN-CMPDInChI=1/C15H14O6/c16-8-3-1-7(2-4-8)15-14(20)13(19)12-10(18)5-9(17)6-11(12)21-15/h1-6,13-20H
           C(O)(=O)CCCC1(C(O1)C=CC=CC=CCC=CCCCCC)
LEUKOTRIENE-A4        InChI=1/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,
           C(O)(=O)CCC[CH](O)C(SC[CH](C(=O)NCC(O)=O)NC(=O)CC[CH](N)C(=O)O)C=CC=CC=CCC=CCCCCC
LEUKOTRIENE-C4        InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(
LI+        [Li+1]     InChI=1/Li/q+1
                      InChI=1/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-8,16-19H
LICODIONE C(=C(O)c1(ccc(O)cc1))C(=O)c2(c(O)cc(O)cc2)
           C(C(=O)c1(ccc(O)cc1))=C(O)c2(c(O)cc(O)cc2)
LICODIONE-II          InChI=1/C15H12O5/c16-10-3-1-9(2-4-10)13(18)8-15(20)12-6-5-11(17)7-14(12)19/h1-8,16-17,19-20H
                      InChI=1/C26H30O8/c1-22(2)15-9-16(27)24(4)14(25(15)12-31-18(28)10-17(25)33-22)5-7-23(3)19(13-6
LIMONIN CC1(C)(C3(C2(COC(=O)CC(O1)2)C6(C(C)(C(C3)=O)C45(C(O4)C(=O)OC(C(C)5CC6)c7(cocc7)))))
                      InChI=1/C10H17NO6/c1-10(2,4-11)17-9-8(15)7(14)6(13)5(3-12)16-9/h5-9,12-15H,3H2,1-2H3
LINAMARINCC(C)(C#N)OC1(C(O)C(O)C(O)C(O1)CO)
           CCCCCC=CCC=CCCCCCCCC(=O)O
LINOLEIC_ACID         InChI=1/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,
           C(O)(=O)CCCCCCCC=CCC=CCC=CCC
LINOLENIC_ACID        InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17
           CCC=CCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]
LINOLENOYL-COA        InChI=1/C39H64N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)
           C(O)(=O)C(N)Cc1(cc(I)c(c(I)c1)Oc2(ccc(O)c(I)c2))
LIOTHYRONINE          InChI=1/C15H12I3NO4/c16-9-6-8(1-2-13(9)20)23-14-10(17)3-7(4-11(14)18)5-12(19)15(21)22/h1-4,6,1
                      InChI=1/C68H130N2O23P2/c1-5-9-13-17-21-25-29-33-37-41-51(72)45-57(76)69-61-65(90-59(78)47-53
LIPID-IV-A CCCCCCCCCCCC(O)CC(=O)NC1(C(OP(=O)(O)O)OC(C(O)C1OC(=O)CC(O)CCCCCCCCCCC)COC2(C(NC(=O)CC(O)CCCCCC
                      InChI=1/C8H15NOS2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H2,9,10)
LIPOAMIDEC1(C[CH](SS1)CCCCC(=O)N)
LIPOIC-ACID           InChI=1/C8H14O2S2/c9-8(10)4-2-1-3-7-5-6-11-12-7/h7H,1-6H2,(H,9,10)
           C1(CC(SS1)CCCCC(O)=O)
LIPOYL-AMP            InChI=1/C18H26N5O8PS2/c19-16-13-17(21-8-20-16)23(9-22-13)18-15(26)14(25)11(30-18)7-29-32(27,
           C(OP(O)(=O)OC(=O)CCCCC1(CCSS1))C2(OC(C(O)C(O)2)n3(c4(c(nc3)c(N)ncn4)))
           C(O)(=O)C(N)CCCC(N)C(=O)O
LL-DIAMINOPIMELATE InChI=1/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
                      InChI=1/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16
LOGANATE CC2([CH]1(C(OC=C(C(O)=O)[CH]1CC2O)OC3(C(O)C(O)C(O)C(O3)CO)))
                      InChI=1/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26
LOGANIN CC2([CH]1(C(OC=C(C(=O)OC)[CH]1CC2O)OC3(C(O)C(O)C(O)C(O3)CO)))
           C          InChI=1/C6H15N4O6P/c7-4(5(11)12)3-16-17(13,14)15-2-1-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H,13,14)(H
LOMBRICINE(NC(N)=N)COP(=O)(O)OCC(N)C(O)=O
                      InChI=1/C26H21N3O9S2/c30-26-23(15-18-6-10-20(11-7-18)37-39(31,32)33)28-25-22(14-17-4-2-1-3-5-
LUCIFERIN C2(N4(C(=C(Cc1(ccccc1))NC=2c3(ccc(cc3)OS(=O)([O-1])=O))N=C(C4=O)Cc5(ccc(cc5)OS(=O)([O-1])=O)))
           c2(n4(c(c(Cc1(ccccc1))nc2c3(ccc(O)cc3))nc(c4OS(=O)(O)=O)Cc5(ccc(O)cc5)))
LUCIFERYL-SULFATE InChI=1/C26H21N3O6S/c30-20-10-6-18(7-11-20)15-23-26(35-36(32,33)34)29-16-24(19-8-12-21(31)13
LUMISTEROL            InChI=1/C28H44O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
           CC([CH]=[CH]C(C)C(C)C)C1(C2(C(CC1)C3([CH](CC2)C4(C(=CC=3)CC(O)CC4)(C)))(C))
           C(O)(=O)C1(OC(C(C(O)C(O)1)OC2(C(O)C(O)C(O)C(O2)C(=O)O))Oc3(cc(O)c4(c(=O)cc(oc(c3)4)c5(cc(O)c(O)cc5))))
                      InChI=1/C27H26O18/c28-9-2-1-7(3-10(9)29)13-6-12(31)15-11(30)4-8(5-14(15)42-13)41-27-23(19(35)1
LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE
           C(O)C1(OC(C(O)C(O)C1O)Oc3(cc2(oc(cc(=O)c2c(c3)O)c4(cc(O)c(O)cc4))))
                      InChI=1/C21H20O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9
LUTEOLIN-7-O-BETA-D-GLUCOSIDE
           C(O)(=O)C1(OC(C(O)C(O)C(O)1)Oc2(cc(O)c3(c(=O)cc(oc(c2)3)c4(cc(O)c(O)cc4))))
                      InChI=1/C21H18O12/c22-9-2-1-7(3-10(9)23)13-6-12(25)15-11(24)4-8(5-14(15)32-13)31-21-18(28)16(2
LUTEOLIN-7-O-BETA-D-GLUCURONIDE
           C(O)(=O)C1(OC(C(C(O)C(O)1)OC2(C(O)C(O)C(O)C(O2)C(=O)O))Oc3(cc(O)c4(c(=O)cc(oc(c3)4)c5(cc(O)c(cc5)OC6(OC(
                      InChI=1/C33H34O24/c34-9-3-7(1-2-12(9)53-31-22(43)16(37)18(39)24(54-31)28(45)46)13-6-11(36)15-
LUTEOLIN-7-O-BETA-D-GLUCURONOSYL-1-2
           C(O)C1(OC(C(C(O)C(O)1)OC2(C(O)C(O)C(O)C(C)O2))Oc3(cc(O)c4(c(=O)cc(oc(c3)4)c5(cc(O)c(O)cc5))))
                      InChI=1/C27H30O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-1
LUTEOLIN-7-O-NEOHESPERIDOSIDE
LYS                  InChI=1/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)
          C(N)CCCC(N)C(O)=O
LYXOSE               InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2
          C(O)C(O)C(O)C(O)C=O
                     InChI=1/C12H13N5O/c18-9-3-1-2-8(4-9)5-13-11-10-12(15-6-14-10)17-7-16-11/h1-4,7,14,18H,5-6H2,(H
M-TOPOLINc2(c1(c(NCN1)ncn2))(NCc3(cccc(O)c3))
                     InChI=1/C46H77NO16/c1-12-33-30(22-58-34-19-25(4)38(52)40(54)43(34)57-11)17-23(2)13-14-31(49)
MACROCINCCC2(C(COC1(C(OC)C(O)C(O)C(C1)C))C=C(C)C=CC(=O)C(C)CC(CC=O)C(C(C)C(O)CC(O2)=O)OC3(C(O)C(N(C)C)C(C(O3)
MAL                  InChI=1/C4H6O5/c5-2(4(8)9)1-3(6)7/h2,5H,1H2,(H,6,7)(H,8,9)
          C(O)(=O)CC(O)C(O)=O
MALEAMATE            InChI=1/C4H5NO3/c5-3(6)1-2-4(7)8/h1-2H,(H2,5,6)(H,7,8)
          C(N)(=O)C=CC(O)=O
                     InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)
MALEATE C(O)(=O)C=CC(O)=O
                     InChI=1/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
MALEIMIDEC1(NC(=O)C=C1)(=O)
          C(=O)(O)C=CC(=O)CC(O)=O
MALEYLACETATE        InChI=1/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)
                     InChI=1/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)
MALONATEC(O)(=O)CC(=O)O
          C(O)(=O)C[CH]=O
MALONATE-S-ALD       InChI=1/C3H4O3/c4-2-1-3(5)6/h2H,1H2,(H,5,6)
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
                     InChI=1/C24H38N7O18P3S/c1-24(2,19(36)22(37)27-5-3-14(33)26-6-8-53-15(34)4-7-32)10-46-52(43,44
MALONATE_SEMIALDEHYDE-COA
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
MALONYL-COA          InChI=1/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44
          C1(C(O)C(O)C(C(O1)CO)OC2(OC(CO)C(C(O)C(O)2)OC3(OC(CO)C(C(O)C(O)3)OC4(OC(CO)C(O)C(O)C(O)4))))(OC5(C(O
MALTOHEXAOSE         InChI=1/C36H62O31/c37-1-7-13(43)14(44)21(51)32(58-7)64-27-9(3-39)60-34(23(53)16(27)46)66-29-1
          C1(C(O)C(O)C(C(O1)CO)OC2(OC(CO)C(C(O)C(O)2)OC3(OC(CO)C(O)C(O)C(O)3)))(OC4(C(O)C(O)C(OC4CO)OC5(C(CO)
MALTOPENTAOSE        InChI=1/C30H52O26/c31-1-6-11(36)12(37)18(43)27(49-6)54-23-8(3-33)51-29(20(45)14(23)39)56-25-1
                     InChI=1/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2
MALTOSE C1(OC(CO)C(O)C(O)C(O)1)OC2(C(CO)OC(O)C(O)C(O)2)
          C(O)C1(OC(C(O)C(O)C1O)OC2(C(CO)OC(C(O)C2O)OC3(C(CO)OC(C(O)C3O)OC4(C(CO)OC(O)C(O)C4O))))
MALTOTETRAOSE        InChI=1/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(
          C1(C(O)C(O)C(O)C(O1)CO)OC2(C(O)C(O)C(OC2CO)OC3(C(CO)OC(O)C(O)C(O)3))
MALTOTRIOSE          InChI=1/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2
          C(#N)C(O)c1(ccccc1)
MANDELONITRILE       InChI=1/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H
                     InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2
MANNITOL C(O)C(O)C(O)C(O)C(O)CO
          C(OP(O)(=O)O)C(O)C(O)C(O)C(O)CO
MANNITOL-1P          InChI=1/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)
                     InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2
MANNOSE C(=O)C(O)C(O)C(O)C(O)CO
MANNOSE-1P           InChI=1/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)
          C(O)C1(OC(OP(O)(O)=O)C(O)C(O)C1O)
MANNOSE-6P           InChI=1/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)
          C(OP(O)(O)=O)C1(C(O)C(O)C(O)C(O1)O)
          C(O)C1(C(O)C(O)C(C(O1)O)OC2(C(C(O)C(O)C(O2)CO)OC3(C(O)C(C(O)C(O3)CO)OC4(C(O)C(O)C(O)C(O4)CO))))
                     InChI=1/C24H42O21/c25-1-5-10(30)14(34)19(21(38)39-5)44-24-20(15(35)11(31)7(3-27)42-24)45-23-1
MANNOSYL-ETCETERA-D-MANNOSE
          CC(=O)NC1(C(OC(CO)C(O)C1O)OC2(C(OC(CO)C(O)C2OC3(C(O)C(O)C(O)C(O3)CO))OC4(C(OC(CO)C(O)C4O)OC5(C(O)
                     InChI=1/C32H55NO26/c1-7(39)33-13-19(45)14(40)9(3-35)52-29(13)59-27-24(56-30-23(49)20(46)15(4
MANNOSYL-ETCETERA-GLUCOSAMINYL-D-MANNOSE
MEK       CC(=O)CC InChI=1/C4H8O/c1-3-4(2)5/h3H2,1-2H3
MELATONIN            InChI=1/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,
          CC(=O)NCCc1(c2(c([nH]c1)ccc(c2)OC))
                     InChI=1/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H
MELIBIOSE C(O)C1(OC(C(O)C(O)C1O)OCC2(C(O)C(O)C(O)C(O2)O))
          C          InChI=1/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
MELILOTATE (O)(=O)CCc1(c(O)cccc1)
                     InChI=1/C11H10O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6,12-13H,1H3
MENADIOL [CH3]c1(c(O)c2(c(c([cH]1)O)[cH][cH][cH][cH]2))
MESACONATE           InChI=1/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)
          CC(C(=O)O)=[CH]C(=O)O
          C(O)(=O)C(N)CCCC(N)C(=O)O
MESO-DIAMINOPIMELATE InChI=1/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)
          C(=O)(O)[CH](O)[CH](O)C(=O)O
MESO-TARTRATE        InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
MET                  InChI=1/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
          C(SC)CC(N)C(O)=O
          Cc1(cccc(C)c1)
META-XYLENE          InChI=1/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(O)=O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
METHACRYLYL-COA InChI=1/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44
          CS
METHANETHIOL         InChI=1/CH4S/c1-2/h2H,1H3
          c1(c(cc(o1)C[N+1])COc2(ccc(cc2)CCNC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(O)=O)C(C(O)=O)CCC(O)=
METHANOFURAN         InChI=1/C34H44N4O15/c35-16-22-15-20(18-53-22)17-52-21-3-1-19(2-4-21)13-14-36-27(39)10-7-25(3
          C(OC1(=Cc2(c(C=C1)nc3(c(n2)cccc3))))CC(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
METHANOPHENAZINE InChI=1/C37H50N2O/c1-28(2)13-9-14-29(3)15-10-16-30(4)17-11-18-31(5)19-12-20-32(6)25-26-40-33-
          C[CH]2([CH]1([CH](C)[N+1](=CN1c3(c(=O)[nH]c(N)nc([NH]2)3))c4(ccc(cc4)CC(O)C(O)C(O)COC5(OC(C(O)C5O)COP(=
                     InChI=1/C31H43N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-
METHENYLTETRAHYDROMETHANOPTERIN
          C(C)(=O)OCInChI=1/C3H6O2/c1-3(4)5-2/h1-2H3
METHYL-ACETATE
          CC(=O)P(=O)([O-1])OC
                     InChI=1/C3H7O4P/c1-3(4)8(5,6)7-2/h1-2H3,(H,5,6)/p-1
METHYL-ACETYLPHOSPHONATE
          C(O)C1(C(O)C(O)C(O)C(O1)OC)
                     InChI=1/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3
METHYL-BETA-D-GALACTOSIDE
          CCC1(C)(C(O1)CCC(C)=CCCC(C)=CC(=O)OC)
                     InChI=1/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1
METHYL-EPOXYTRIDECADIENOATE
          C(=O)C(C)=O
METHYL-GLYOXAL       InChI=1/C3H4O2/c1-3(5)2-4/h2H,1H3
          [CH3-1]
METHYL-GROUP         InChI=1/CH3/h1H3/q-1
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
METHYL-MALONYL-COA    InChI=1/C25H40N7O19P3S/c1-12(23(37)38)24(39)55-7-6-27-14(33)4-5-28-21(36)18(35)25(2,3)9-48-54
          C[CH]([CH]1([CH](C)[NH]c2(c(N1C)c(=O)[nH]c(n2)N)))Nc3(ccc(cc3)CC(O)C(O)C(O)COC4(OC(C(O)C4O)COP(=O)([O-1]
METHYL-THMPT          InChI=1/C31H47N6O16P/c1-13(22-14(2)34-27-23(37(22)3)28(45)36-31(32)35-27)33-16-6-4-15(5-7-16
          CN
METHYLAMINE           InChI=1/CH5N/c1-2/h2H2,1H3
          C[As]([O-1])([O-1])=O
METHYLARSONATE        InChI=1/CH5AsO3/c1-2(3,4)5/h1H3,(H2,3,4,5)/p-2
          C[As]([O-1])O
METHYLARSONITE        InChI=1/CH4AsO2/c1-2(3)4/h3H,1H3/q-1
          CCC(C)[CH]=O
METHYLBUT-CPD         InChI=1/C5H10O/c1-3-5(2)4-6/h4-5H,3H2,1-2H3
          C(=O)(NC(C(O)=O)CCC(=O)O)c1(ccc(cc1)N2(CN4([CH](C2)[CH2]Nc3(nc(N)[nH]c(c34)=O))))
METHYLENE-THF         InChI=1/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30
          C(NC(=O)N)NC(=O)N
METHYLENEDIUREA InChI=1/C3H8N4O2/c4-2(8)6-1-7-3(5)9/h1H2,(H3,4,6,8)(H3,5,7,9)
          C[CH]2([CH]1([CH](C)N(CN1c3(c(=O)[nH]c(N)nc([NH]2)3))c4(ccc(cc4)CC(O)C(O)C(O)COC5(OC(C(O)C5O)COP(=O)([O
                      InChI=1/C31H45N6O16P/c1-13-22-14(2)36(12-37(22)23-27(33-13)34-31(32)35-28(23)45)16-5-3-15(4-
METHYLENETETRAHYDROMETHANOPTERIN
          CSS(=O)(=O)CInChI=1/C2H6O2S2/c1-5-6(2,3)4/h1-2H3
METHYLMETHANETHIOSULFONATE
          c1([n+1](C)cc(cc1)C(=O)[O-1])
METHYLNICOTINATE InChI=1/C7H13NO2/c1-8-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
          CC(C(O)=O)C(=O)C(O)=O
METHYLOXALO-ACETATE   InChI=1/C5H6O5/c1-2(4(7)8)3(6)5(9)10/h2H,1H3,(H,7,8)(H,9,10)
METOH     CO          InChI=1/CH4O/c1-2/h2H,1H3
          C           InChI=1/C6H10O4/c1-6(10,2-3-7)4-5(8)9/h3,10H,2,4H2,1H3,(H,8,9)
MEVALDATE (O)(=O)CC(O)(C)CC=O
MEVALONATE            InChI=1/C6H12O4/c1-6(10,2-3-7)4-5(8)9/h7,10H,2-4H2,1H3,(H,8,9)
          C(O)CC(C)(O)CC(O)=O
          C(OP(O)(O)=O)CC(CC(O)=O)(C)OP(O)(O)=O
MEVALONATE-DP         InChI=1/C6H14O10P2/c1-6(4-5(7)8,16-18(12,13)14)2-3-15-17(9,10)11/h2-4H2,1H3,(H,7,8)(H2,9,10,11
MG+2      [Mg+2]      InChI=1/Mg/q+2
          Cc7(c6(=CC3(=N2([Mg]58(n1(c(c(C)c(C=C)c1C=C2C(C)=C3C=C)C=C4(N(=C(C(=C(C)4)CCC(O)=O)C=c(n56)c7CCC(=O)O
MG-PROTOPORPHYRINInChI=1/C34H34N4O4.Mg/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34
          Cc6(c(CCC(=O)OC)c1(n7([Mg]35(n4(c(C=C2(C(C)=C(C(C=1)=N23)CCC(O)=O))c(C)c(C=C)c4C=C8(N5=C(C=c67)C(C=C)=
                      InChI=1/C35H35N4O4.Mg/c1-8-22-18(3)26-14-27-20(5)24(10-12-34(40)41)32(38-27)17-33-25(11-13-3
MG-PROTOPORPHYRIN-MONOMETHYL-ESTER
MGCL2                 InChI=1/2ClH.Mg/h2*1H;/q;;+2/p-2
          [Mg+2]([Cl-1])[Cl-1]
          C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)1)(OP(O)([O-1])=O
MI-HEXAKISPHOSPHATE   InChI=1/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(1
          C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(O)C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)1)(OP(O)([O-1])=O)
MI-PENTAKISPHOSPHATE  InChI=1/C6H17O21P5/c7-1-2(23-28(8,9)10)4(25-30(14,15)16)6(27-32(20,21)22)5(26-31(17,18)19)3(1)
                      InChI=1/C8H10N2O4/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10/h1-2,4-5,12H,3,9H2,(H,13,14)
MIMOSINE C1(N(C=C(O)C(=O)C=1)CC(N)C(=O)O)
          c12(ncc(CC(O)(P(O)(O)=O)P(O)(O)=O)n(cccc1)2)
MINODRONATE           InChI=1/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H
MN+2      [Mn+2]      InChI=1/Mn/q+2
MN+3      [Mn+3]      InChI=1/Mn/q+3
          CCC8(C3(=N7([Mg]59(n2(c1(=C(C(C(=O)OC)C(=O)c1c(C)c2=C3)C4(=N(C(C(C)=C4CCC(=O)O)=Cc6(n5c(c(C=C)c(C)6)C=
                      InChI=1/C35H34N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7
MONO-VINYL-PROTOCHLOROPHYLLIDE-A
          C(=O)(O)C(N)Cc1(cc(I)c(O)cc1)
MONOIODO-L-TYROSINE   InChI=1/C9H10INO3/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14/h1-3,7,12H,4,11H2,(H,13,14)
          C(=O)(O)C=C(C(=O)OC)CC(O)=O
                      InChI=1/C7H8O6/c1-13-7(12)4(2-5(8)9)3-6(10)11/h2H,3H2,1H3,(H,8,9)(H,10,11)
MONOMETHYL-ESTER-OF-TRANS-ACONITATE
                      InChI=1/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,
MORPHINEC2(N(C)[CH]1(Cc5(ccc(O)c4(OC3(C(O)C=CC1C(C2)3c45)))))
MORPHINONE            InChI=1/C17H17NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,
          C2(N(C)[CH]1(Cc5(ccc(O)c4(OC3(C(=O)C=CC1C(C2)3c45)))))
MORPHOLINE            I
          C1(NCCOC1)nChI=1/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2
MPBQ                  InChI=1/C27H46O2/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-23(5)16-17-25-19-26(28)18-24(6)27(2
          CC(CCCC(C)CCCC(C)C)CCCC(C)=CCc1(c(O)c(C)cc(O)c1)
MYCOTHIONE            InChI=1/C34H58N4O24S2/c1-7(41)35-9(31(57)37-13-17(45)15(43)11(3-39)59-33(13)61-29-25(53)21(4
          C2(OC1(C(O)C(O)C(O)C(O)C1O))(C(C(O)C(O)C(O2)CO)[NH]C(=O)C([NH]C(C)=O)CSSCC([NH]C(C)=O)C(=O)[NH]C3(C(O
          C1(C(O)C(O)C(O)C(O)C(O)1)(O)
MYO-INOSITOL          InChI=1/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H
          [CH]1([CH](O)[CH](O)[CH](O)[CH](O)C(=O)1)(O)
MYO-INOSOSE           InChI=1/C6H10O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-5,7-11H
                      InChI=1/C15H10O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,16-2
MYRICETIN c1(c(O)c2(c(cc1O)oc(c(O)c2=O)c3(cc(O)c(O)c(c3)O)))
                      InChI=1/C3H8O3S2/c1-7-2-3-8(4,5)6/h2-3H2,1H3,(H,4,5,6)
Me-CoM C(S(=O)(=O)O)CSC
          [CH]1([CH](O)[CH](O)[CH](O1)COP(O)(O)=O)Nc2(c(C(O)=O)cccc2)
                      InChI=1/C12H16NO9P/c14-9-8(5-21-23(18,19)20)22-11(10(9)15)13-7-4-2-1-3-6(7)12(16)17/h1-4,8-11,
N-(5-PHOSPHORIBOSYL)-ANTHRANILATE
          C(O)C(C(O)=O)NC(=O)c1(c(O)c(O)ccc1)
                      InChI=1/C10H11NO6/c12-4-6(10(16)17)11-9(15)5-2-1-3-7(13)8(5)14/h1-3,6,12-14H,4H2,(H,11,15)(H,1
N-23-DIHYDROXYBENZOYL-L-SERINE
          CC(C)[CH](C([O-1])=O)NC(=O)[CH]([CH]S)NC(=O)CCC[CH]([N+1])C(O)=O
                      InChI=1/C14H24N3O6S/c1-7(2)11(14(22)23)17-12(19)9(6-24)16-10(18)5-3-4-8(15)13(20)21/h6-9,11,2
N-5S-5-AMINO-5-CARBOXYPENTANOYL-L-CY
          C(N)CCCCC(=O)NCCCCCC(O)=O
                      InChI=1/C12H24N2O3/c13-9-5-1-3-7-11(15)14-10-6-2-4-8-12(16)17/h1-10,13H2,(H,14,15)(H,16,17)
N-6-AMINOHEXANOYL-6-AMINOHEXANOATE
          CC(=O)NCCc1(c2(c([nH]c1)ccc(c2)OC))
                      InChI=1/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,
N-ACETYL-5-METHOXY-TRYPTAMINE
          CC(=O)NC1(C(OC(O)(C(O)=O)CC1O)C(O)C(O)COC(C)=O)
                      InChI=1/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17
N-ACETYL-9-O-ACETYLNEURAMINATE
          CC(=O)NC(C(O)=O)CCCC=O
                      InChI=1/C8H13NO4/c1-6(11)9-7(8(12)13)4-2-3-5-10/h5,7H,2-4H2,1H3,(H,9,11)(H,12,13)
N-ACETYL-AAA-SEMIALDEHYDE
          CC(=O)NC1(C(O)C(O)C(CO)OC1N)
                      InChI=1/C8H16N2O5/c1-3(12)10-5-7(14)6(13)4(2-11)15-8(5)9/h4-8,11,13-14H,2,9H2,1H3,(H,10,12)
N-ACETYL-BETA-GLUCOSAMINYLAMINE
          CC(=O)NC1(C(O)C(O)C(OC1O)COP(O)(O)=O)
                      InChI=1/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9
N-ACETYL-D-GALACTOSAMINE-6-PHOSPHATE
          CC(=O)NC1(C(O)C(O)C(CO)OC1O)
                     InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)
N-ACETYL-D-GLUCOSAMINE
          [CH]1(O[CH](COP(=O)(O)O)[CH](O)[CH](O)[CH](NC(=O)C)1)(OP(O)(O)=O)
                     InChI=1/C8H17NO12P2/c1-3(10)9-5-7(12)6(11)4(2-19-22(13,14)15)20-8(5)21-23(16,17)18/h4-8,11-12
N-ACETYL-D-GLUCOSAMINE-1-6-P
          CC(=O)NC1(C(OP(O)(O)=O)OC(CO)C(O)C1O)
                     InChI=1/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(
N-ACETYL-D-GLUCOSAMINE-1-P
          CC(=O)NC1(C(O)C(O)C(OC1O)COP(O)(O)=O)
                     InChI=1/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9
N-ACETYL-D-GLUCOSAMINE-6-P
          C(=O)(C)N[CH]1([CH](O)O[CH](CO)[CH](O)[CH](O)1)
                     InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)
N-ACETYL-D-MANNOSAMINE
          CC(=O)N[CH]1([CH](O)O[CH]([CH](O)[CH](O)1)COP(O)(=O)O)
                     InChI=1/C8H16NO9P/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9
N-ACETYL-D-MANNOSAMINE-6P
          C=C(CC(C(O)=O)NC(=O)C)c1(c(N)cccc1)
N-ACETYL-D-TRYPTOPHANInChI=1/C13H16N2O3/c1-8(10-5-3-4-6-11(10)14)7-12(13(17)18)15-9(2)16/h3-6,12H,1,7,14H2,2H3,(H,
          CC(=O)NC(C(O)=O)CCC(=O)OP(O)(O)=O
N-ACETYL-GLUTAMYL-P  InChI=1/C7H12NO8P/c1-4(9)8-5(7(11)12)2-3-6(10)16-17(13,14)15/h5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2
          CC(=O)NC(C(O)=O)CCCC(=O)C(O)=O
                     InChI=1/C9H13NO6/c1-5(11)10-6(8(13)14)3-2-4-7(12)9(15)16/h6H,2-4H2,1H3,(H,10,11)(H,13,14)(H,15
N-ACETYL-L-2-AMINO-6-OXO-PIMELATE
          C(NC(C)=O)CC(N)C(O)=O
                     InChI=1/C6H12N2O3/c1-4(9)8-3-2-5(7)6(10)11/h5H,2-3,7H2,1H3,(H,8,9)(H,10,11)
N-ACETYL-L-24-DIAMINOBUTANOATE
          CC(=O)NC(C(O)=O)CCCCN
N-ACETYL-L-LYSINE    InChI=1/C8H16N2O3/c1-6(11)10-7(8(12)13)4-2-3-5-9/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)
          C(O)(=O)C1(O)(O[CH]([CH]([CH](O)[CH2]1)NC(=O)C)C(O)C(O)COP(O)(O)=O)
                     InChI=1/C11H20NO12P/c1-4(13)12-7-5(14)2-11(19,10(17)18)24-9(7)8(16)6(15)3-23-25(20,21)22/h5-9
N-ACETYL-NEURAMINATE-9P
          CC(=O)N[CH]1([CH](OC(O)(C(O)=O)[CH2][CH]1O)C(O)C(O)COC(=O)C)
                     InChI=1/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17
N-ACETYL-O-ACETYLNEURAMINATE
          CC(=O)NCCc1(c2(c([nH]c1)ccc(c2)O))
N-ACETYL-SEROTONIN InChI=1/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,1
          CC(=O)Nc1(c(C([O-1])=O)cccc1)
N-ACETYLANTHRANILATE InChI=1/C9H9NO3/c1-6(11)10-8-5-3-2-4-7(8)9(12)13/h2-5H,1H3,(H,10,11)(H,12,13)/p-1
          CC(=O)Nc1(ccccc1)
N-ACETYLARYLAMINE InChI=1/C8H9NO/c1-7(10)9-8-5-3-2-4-6-8/h2-6H,1H3,(H,9,10)
          CC(=O)N[CH]1([CH](OP(O)(=O)O)O[CH](CO)[CH](O)[CH](O)1)
                     InChI=1/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(
N-ACETYLD-D-MANNOSAMINE-1P
          C(=O)(C)N1(C(=O)C(=O)C2(=C1C=CC=C2))
N-ACETYLISATIN       InChI=1/C10H7NO3/c1-6(12)11-8-5-3-2-4-7(8)9(13)10(11)14/h2-5H,1H3
          C(O)C(O)C(O)[CH]1([CH](NC(=O)C)[CH](O)[CH2]C(O)(O1)C(=O)O)
N-ACETYLNEURAMINATE  InChI=1/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2
          CC(=O)NCCc1(ccccc1)
                     InChI=1/C10H13NO/c1-9(12)11-8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,11,12)
N-ACETYLPHENYLETHYLAMINE
          CC(=O)NCCCNCCCCN
N-ACETYLSPERMIDINE InChI=1/C9H21N3O/c1-9(13)12-8-4-7-11-6-3-2-5-10/h11H,2-8,10H2,1H3,(H,12,13)
          CC(=O)NC(C(O)=O)CCCN
                     InChI=1/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)
N-ALPHA-ACETYLORNITHINE
          C(=O)(O)c1(c(cc(O)cc1)NC(=O)c2(ccccc2))
                     InChI=1/C14H11NO4/c16-10-6-7-11(14(18)19)12(8-10)15-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,15,17)(H,1
N-BENZOYL-4-HYDROXYANTHRANILATE
          C(=O)(O)c1(c(cc(OC)cc1)NC(=O)c2(ccccc2))
                     InChI=1/C15H13NO4/c1-20-11-7-8-12(15(18)19)13(9-11)16-14(17)10-5-3-2-4-6-10/h2-9H,1H3,(H,16,1
N-BENZOYL-4-METHOXYANTHRANILATE
          C(NC(N)=N)CCC(C(O)=O)NC(=O)c1(ccccc1)
N-BENZOYL-D-ARGININE InChI=1/C13H18N4O3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2
          C(NC(N)=N)CCC(C(=O)Nc1(ccc(N(=O)=O)cc1))NC(=O)c2(ccccc2)
                     InChI=1/C19H22N6O4/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-1
N-BENZOYL-D-ARGININE-4-NITROANILIDE
          C(=O)(O)C(C)[NH]C(N)=O
N-CARBAMOYL-D-ALANINEInChI=1/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)
          C(C(O)=O)N(C(N)=O)c1(ccccc1)
                     InChI=1/C9H10N2O3/c10-9(14)11(6-8(12)13)7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,14)(H,12,13)
N-CARBAMOYL-D-PHENYLGLYCINE
          C(C(O)=O)N(C(N)=O)c1(ccc(O)cc1)
                     InChI=1/C9H10N2O4/c10-9(15)11(5-8(13)14)6-1-3-7(12)4-2-6/h1-4,12H,5H2,(H2,10,15)(H,13,14)
N-CARBAMOYL-P-HYDROXY-D-PHENYLGLYCINE
          C(C(O)=O)[NH]C(N)=O
N-CARBAMOYLGLYCINE   InChI=1/C3H6N2O3/c4-3(8)5-1-2(6)7/h1H2,(H,6,7)(H3,4,5,8)
          C(=O)(O)C(NC(N)=O)CCC(O)=O
                     InChI=1/C6H10N2O5/c7-6(13)8-3(5(11)12)1-2-4(9)10/h3H,1-2H2,(H,9,10)(H,11,12)(H3,7,8,13)
N-CARBAMYL-L-GLUTAMATE
          C(=O)NC1(CCCCC1)
N-CYCLOHEXYLFORMAMIDEInChI=1/C7H13NO/c9-6-8-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,8,9)
          C(N1(CCCCC1))(=O)C=CC=CC2(=CC3(=C(C=C2)OCO3))
                     InChI=1/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H
N-EE-PIPEROYL-PIPERIDINE
          CCN1(C(=O)C=CC1=O)
N-ETHYLMALEIMIDE InChI=1/C6H7NO2/c1-2-7-5(8)3-4-6(7)9/h3-4H,2H2,1H3
          C(C(O)=O)NC(=O)C=Cc1(cc(OC)c(O)cc1)
N-FERULOYLGLYCINE InChI=1/C12H13NO5/c1-18-10-6-8(2-4-9(10)14)3-5-11(15)13-7-12(16)17/h2-6,14H,7H2,1H3,(H,13,15)
          C(O)(=O)CNC=N
N-FORMIMINO-GLYCINE  InChI=1/C3H6N2O2/c4-2-5-1-3(6)7/h2H,1H2,(H2,4,5)(H,6,7)
          C(=O)(O)CCC(C(O)=O)NC=N
                     InChI=1/C6H10N2O4/c7-3-8-4(6(11)12)1-2-5(9)10/h3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12)
N-FORMIMINO-L-GLUTAMATE
          C(C(O)=O)N(O)C=O
                     InChI=1/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)
N-FORMYL-N-HYDROXY-AMINOACETATE
          C(O)(=O)C1(=C(NC=O)C=CC=C1)
N-FORMYLANTHRANILATE InChI=1/C8H7NO3/c10-5-9-7-4-2-1-3-6(7)8(11)12/h1-5H,(H,9,10)(H,11,12)
          C(=O)(O)C(N)CC(=O)c1(c(NC=O)cccc1)
N-FORMYLKYNURENINE   InChI=1/C11H12N2O4/c12-8(11(16)17)5-10(15)7-3-1-2-4-9(7)13-6-14/h1-4,6,8H,5,12H2,(H,13,14)(H,1
          C(O)(=O)C(NC=O)CCSC
N-FORMYLMETHIONINE   InChI=1/C6H11NO3S/c1-11-3-2-5(6(9)10)7-4-8/h4-5H,2-3H2,1H3,(H,7,8)(H,9,10)
          C(=O)(C)N(O)C1(=CC2(=C(C=C1)C3(C(C2)=CC=CC=3)))
                     InChI=1/C15H13NO2/c1-10(17)16(18)13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9,18H,8H2,1H3
N-HYDROXY-2-ACETAMIDOFLUORENE
          c1(ccc(cc1)c2(ccc(NO)cc2))
                     InChI=1/C12H11NO/c14-13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13-14H
N-HYDROXY-4-AMINOBIPHENYL
          c1(c(CCNO)c2(c([nH]1)cccc2))
N-HYDROXYL-TRYPTAMINEInChI=1/C10H12N2O/c13-12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-13H,5-6H2
          C(=O)(N)NCO
N-HYDROXYMETHYLUREA  InChI=1/C2H6N2O2/c3-2(6)4-1-5/h5H,1H2,(H3,3,4,6)
          CC(C)Nc1(nc(O)nc(n1)O)
N-ISOPROPYLAMMELIDE  InChI=1/C6H10N4O2/c1-3(2)7-4-8-5(11)10-6(12)9-4/h3H,1-2H3,(H3,7,8,9,10,11,12)
          c1(c(nc[nH]1)CCNC)
N-METHYL-HISTAMINE InChI=1/C6H11N3/c1-7-3-2-6-4-8-5-9-6/h4-5,7H,2-3H2,1H3,(H,8,9)
          C(=O)(O)C(C)N(C)C(N)=O
                     InChI=1/C5H10N2O3/c1-3(4(8)9)7(2)5(6)10/h3H,1-2H3,(H2,6,10)(H,8,9)
N-METHYL-N-CARBAMOYL-D-ALANINE
          CNC1(=CC=CC=C1)
N-METHYLANILINE      InChI=1/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3
          CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)c1(c(NC)cccc1))COP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=O)n3(c4(c(n
                     InChI=1/C29H43N8O17P3S/c1-29(2,23(40)26(41)33-9-8-19(38)32-10-11-58-28(42)16-6-4-5-7-17(16)31
N-METHYLANTHRANILOYL-COA
          CCCCCC(=O)NC
N-METHYLHEXANAMIDE   InChI=1/C7H15NO/c1-3-4-5-6-7(9)8-2/h3-6H2,1-2H3,(H,8,9)
          C1(N(C)C(=O)NC(=O)1)
N-METHYLHYDANTOIN InChI=1/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8)
          C(NC)C(O)c1(ccccc1)
                     InChI=1/C9H13NO/c1-10-7-9(11)8-5-3-2-4-6-8/h2-6,9-11H,7H2,1H3
N-METHYLPHENYLETHANOLAMINE
          C(=O)(O)C(NC)Cc1(c2(c([nH]c1)cccc2))
N-METHYLTRYPTOPHAN   InChI=1/C12H14N2O2/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,13-14H,6H2,1H3,(H,1
          C(=O)(C(O)C(C)(C)CO)NCCC(=O)NC(CS)C(O)=O
                     InChI=1/C12H22N2O6S/c1-12(2,6-15)9(17)10(18)13-4-3-8(16)14-7(5-21)11(19)20/h7,9,15,17,21H,3-6
N-PANTOTHENOYL-CYSTEINE
          C(NC(=N)NP(O)(O)=O)COP(=O)(O)OC
                     InChI=1/C4H13N3O7P2/c1-13-16(11,12)14-3-2-6-4(5)7-15(8,9)10/h2-3H2,1H3,(H,11,12)(H5,5,6,7,8,9,1
N-PHOSPHOGUANIDINOETHYL-METHYL-PHOSPHAT
          C(CS(=O)(=O)O)NC(=N)NP(O)(=O)O
N-PHOSPHOTAUROCYAMINEInChI=1/C3H10N3O6PS/c4-3(6-13(7,8)9)5-1-2-14(10,11)12/h1-2H2,(H,10,11,12)(H5,4,5,6,7,8,9)
          CC(C)=CCNC(=N)NCCCCN
N-PRENYLAGMATINE InChI=1/C10H22N4/c1-9(2)5-8-14-10(12)13-7-4-3-6-11/h5H,3-4,6-8,11H2,1-2H3,(H3,12,13,14)
          C(O)(=O)C(=O)CCCC(C(=O)O)NC(=O)CCC(=O)O
                     InChI=1/C11H15NO8/c13-7(11(19)20)3-1-2-6(10(17)18)12-8(14)4-5-9(15)16/h6H,1-5H2,(H,12,14)(H,1
N-SUCCINYL-2-AMINO-6-KETOPIMELATE
          C(NCCCN)CCCNCCCNC(C)=O
N1-ACETYLSPERMINE InChI=1/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
          c12([nH]cnc(c([NH2])n(C)cn1)2)
N1-METHYLADENINE InChI=1/C6H15N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h4-6,8-10H,2-3,7H2,1H3
          CC(=O)NC(C(O)=O)CCCC(O)=O
N2-ACETYL-ALPHA-AMIN InChI=1/C8H13NO5/c1-5(10)9-6(8(13)14)3-2-4-7(11)12/h6H,2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)
          CC(=O)NC1(C(OC(CC1)CN)OC2(C(O)C(C(N)CC2N)OC3(C(O)C(NC)C(C)(O)CO3)))
                     InChI=1/C21H41N5O8/c1-9(27)26-13-5-4-10(7-22)32-19(13)33-16-11(23)6-12(24)17(14(16)28)34-20-1
N2-ACETYLGENTAMICIN-C1A
          c1(c(c2(c(n1)cccc2))CC(C(O)=O)NC(=O)CC(O)=O)
                     InChI=1/C14H14N2O5/c17-12(6-13(18)19)16-11(14(20)21)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5
N2-MALONYL-D-TRYPTOPHAN
          C(=O)(O)CCC(=O)NC(C(O)=O)CCC(O)=O
N2-SUCCINYLGLUTAMATE InChI=1/C9H13NO7/c11-6(2-4-8(14)15)10-5(9(16)17)1-3-7(12)13/h5H,1-4H2,(H,10,11)(H,12,13)(H,14,
          C(N)CCC(C(=O)O)NC(=O)CCC(=O)O
N2-SUCCINYLORNITHINE InChI=1/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15
          CC(=O)NC(C(O)=O)CCCC(=O)OP(O)(O)=O
N2ACETYL-ALPHA-NP InChI=1/C8H14NO8P/c1-5(10)9-6(8(12)13)3-2-4-7(11)17-18(14,15)16/h6H,2-4H2,1H3,(H,9,10)(H,12,13
          c1([nH]c(=O)n(C)c(c1)N)
N3-METHYLCYTOSINE InChI=1/C5H8N3O/c1-8-4(6)2-3-7-5(8)9/h2-3H,1H3,(H3,6,7,9)
          C(C(N)C(O)=O)NC(=O)C(O)=O
                     InChI=1/C5H8N2O5/c6-2(4(9)10)1-7-3(8)5(11)12/h2H,1,6H2,(H,7,8)(H,9,10)(H,11,12)
N3-OXALYL-L-23-DIAMINOPROPANOATE
          C(O)(=O)C(N)CC(=O)NC1(C(NC(=O)C)C(O)C(C(O1)CO)OC2(C(NC(=O)C)C(O)C(C(O2)CO)OC5(OC(COC3(C(C(O)C(O)C(O
                     InChI=1/C54H90N6O38/c1-13(67)56-26-37(79)42(22(10-65)87-47(26)60-25(71)5-17(55)48(84)85)94-5
N4-N-ACETYL-BETA-D-GLUCOSAMINYL-12
          C(O)(=O)C(N)CC(=O)NC2(C(NC(=O)C)C(OC1(C(O)C(O)C(O)C(C)O1))C(C(O2)CO)OC3(C(NC(=O)C)C(O)C(C(O3)CO)OC6(
                     InChI=1/C60H100N6O42/c1-14-32(78)41(87)44(90)57(95-14)105-48-31(65-18(5)76)52(66-27(77)6-19(
N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F
          C(O)(=O)C(N)CC(=O)NC1(C(NC(=O)C)C(O)C(C(O1)COC2(C(O)C(O)C(O)C(C)O2))OC3(C(NC(=O)C)C(O)C(C(O3)CO)OC6(
                     InChI=1/C60H100N6O42/c1-14-32(77)42(87)45(90)57(96-14)94-13-26-48(40(85)28(62-15(2)72)52(97-
N4-N-ACETYL-BETA-D-GLUCOSAMINYL-F6
          C(O)(=O)C(N)CC(=O)NC1(C(NC(=O)C)C(O)C(C(O1)CO)OC2(C(NC(=O)C)C(O)C(C(O2)CO)OC5(OC(COC3(C(C(O)C(O)C(O
                     InChI=1/C59H98N6O42/c1-14(72)61-28-40(86)45(24(10-70)95-51(28)65-27(77)5-18(60)52(91)92)102-
N4-N-ACETYL-BETA-D-GLUCOSAMINYL-X
          C(=O)(O)C(N)CCC(=O)NC
N5-METHYLGLUTAMINE   InChI=1/C6H12N2O3/c1-8-5(9)3-2-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)
          CC(=O)NCC1(OC(C(N)C(O)C1O)OC2(C(O)C(C(N)CC2N)OC3(C(O)C(N)C(O)C(O3)CO)))
N6-ACETYLKANAMYCIN-B InChI=1/C20H39N5O11/c1-5(27)25-3-8-13(29)14(30)11(24)19(33-8)35-17-6(21)2-7(22)18(16(17)32)36
          CC(C)=CCNc2(c1(c(ncn1)ncn2))
                     InChI=1/C10H13N5/c1-7(2)3-4-11-9-8-10(13-5-12-8)15-6-14-9/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15
N6-DIMETHYLALLYLADENINE
          [CH2]([N+1]([CH3])([CH3])[CH3])[CH2][CH2][CH2][CH]([NH2])C([O-1])=O
                     InChI=1/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3
N6N6N6-TRIMETHYL-L-LYSINE
NA+       [Na+1]     InChI=1/Na/q+1
NA2S      [Na]S[Na] InChI=1/2Na.S
                     InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
NA2SO4 [O-1]S(=O)([O-1])=O
NACL                 I
          [Na+1][Cl-1]nChI=1/ClH.Na/h1H;/q;+1/p-1
                     InChI=1/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H
NACMUR C1(O)(C([NH]C(C)=O)C(C(O)C(O1)CO)O[CH](C)C(O)=O)
NAD                  InChI=1/C21H41N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,
          c1([n+1](cc(C(=O)N)cc1)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC3(OC(C(O)C3O)n4(c5(c(nc4)c(N)ncn5)))))
          C(C1(C(O)C(O)CO1))OP(=O)(O)OP(O)(=O)OCC2(OC(C(O)C(O)2)n3(c4(c(nc3)c(N)ncn4)))
NAD-STEM-GROUP       InChI=1/C15H23N5O13P2/c16-13-9-14(18-4-17-13)20(5-19-9)15-12(24)11(23)8(32-15)3-31-35(27,28)
NADH                 InChI=1/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,
          C([CH]1(O[CH]([CH](O)[CH]1O)N2(C=C(C(=O)N)[CH2]C=C2)))OP(=O)(O)OP(=O)(O)OC[CH]3(O[CH]([CH](O)[CH](O)3)
NADP                 InChI=1/C21H28N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21
          C(C1(OC(C(C(O)1)OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3))))OP(O)(=O)OP(=O)(O)OCC4(OC(C(O)C(O)4)[n+1]5(cc(C(N)=O
NADPH                InChI=1/C21H30N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21
          C(C1(OC(C(C(O)1)OP(O)(=O)O)n2(c3(c(nc2)c(N)ncn3))))OP(O)(=O)OP(=O)(O)OCC4(OC(C(O)C(O)4)N5(C=C(C(N)=O)C
          c1(c(ncn1)CCNC(=O)CCC(N)C(O)=O)
                     InChI=1/C10H16N4O3/c11-8(10(16)17)1-2-9(15)13-4-3-7-5-12-6-14-7/h5-6,8H,1-4,11H2,(H,12,14)(H,1
NALPHA-GAMMA-L-GLUTAMYLHISTAMINE
          c1(c(ncn1)CC(N(C)C)C(O)=O)
                     InChI=1/C8H13N3O2/c1-11(2)7(8(12)13)3-6-4-9-5-10-6/h4-5,7H,3H2,1-2H3,(H,9,10)(H,12,13)
NALPHANALPHA-DIMETHYL-L-HISTIDINE
          c1(c(ncn1)CC([N+1](C)(C)C)C(O)=O)
                     InChI=1/C9H15N3O2/c1-12(2,3)8(9(13)14)4-7-5-10-6-11-7/h5-6,8H,4H2,1-3H3,(H-,10,11,13,14)/p+1
NALPHANALPHANALPHA-TRIMETHYL-L-H
          c1(ccc2(c(c1)cccc2))
NAPHTHALENE          InChI=1/C10H8/c1-2-6-10-8-4-3-7-9(10)5-1/h1-8H
          C1(C(O)=CC=C2(C=1C=CC=C2))(O)
NAPHTHALENE-12-DIOL  InChI=1/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H
                     InChI=1/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
NAPHTHOL c1(c2(c(c(O)cc1)cccc2))
          C(O)C1(OC(C(O)C(O)C1O)Oc3(cc2(O[CH](CC(=O)c2c(c3)O)c4(ccc(O)cc4))))
                     InChI=1/C21H22O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-
NARINGENIN-7-O-BETA-D-GLUCOSIDE
          c1(cc(ccc1O)[CH]2(Oc3(c(C(C2)=O)c(O)cc(c3)O)))
NARINGENIN-CMPD InChI=1/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H
                      InChI=1/C27H32O14/c1-10-20(32)22(34)24(36)26(37-10)41-25-23(35)21(33)18(9-28)40-27(25)38-13-6
NARINGIN CC1(OC(C(O)C(O)C1O)OC2(C(OC(CO)C(O)C2O)Oc4(cc3(O[CH](CC(=O)c3c(c4)O)c5(ccc(O)cc5)))))
NCOH      C(#N)[OH] InChI=1/CHNO/c2-1-3/h3H
          CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C
NEUROSPORENE          InChI=1/C40H58/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(
NH2-      CN          InChI=1/CH5N/c1-2/h2H2,1H3
NH42SO4 [N+1]         InChI=1/H3N/h1H3/p+1
NH4CL     [Cl-1][N+1] InChI=1/ClH3N/c1-2/h2H3
NH4OH     [NH3+1]O InChI=1/H4NO/c1-2/h2H,1H3/q+1
NI+2      [Ni+2]      InChI=1/Ni/q+2
          c1(ccc(cn1)C(N)=O)
NIACINAMIDE           InChI=1/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
                      InChI=1/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)/p-1
NIACINE c1(ccc(C([O-1])=O)cn1)
NICL2     Cl[Ni]Cl    InChI=1/2ClH.Ni/h2*1H;/q;;+2/p-2
          C(OP(O)(O)=O)[CH]1(O[CH]([CH](O)[CH](O)1)[n+1]2(cc(C(N)=O)ccc2))
                      InChI=1/C11H15N2O8P/c12-10(16)6-2-1-3-13(4-6)11-9(15)8(14)7(21-11)5-20-22(17,18)19/h1-4,7-9,11
NICOTINAMIDE_NUCLEOTIDE
          c1([n+1](cccc1C(N)=O)[CH]2([CH](O)[CH](O)[CH](O2)CO))
NICOTINAMIDE_RIBOSE   InChI=1/C11H20N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h6-9,11,14-16H,1-5H2,(H
          [CH]2([n+1]1(cc(C(=O)O)ccc1))(O[CH]([CH](O)[CH](O)2)COP(O)(=O)O)
NICOTINATE_NUCLEOTIDE InChI=1/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13
                      InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
NICOTINE c1(ncc(cc1)[CH]2(N(C)CCC2))
                      InChI=1/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2
NIGEROSE C1(OC(CO)C(O)C(O)C(O)1)OC2(C(O)C(O)OC(CO)C(O)2)
NITRAPYRIN            InChI=1/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H
          c1(Cl)(nc(C(Cl)(Cl)Cl)ccc1)
                      InChI=1/NO3/c2-1(3)4/q-1
NITRATE [N+1]([O-1])([O-1])=O
          N=O
NITRIC-OXIDE          InChI=1/HNO/c1-2/h1H
NITRITE   N(=O)[O-1] InChI=1/HNO2/c2-1-3/h(H,2,3)/p-1
          N#N
NITROGEN-MOLECULE InChI=1/N2/c1-2
          N(=O)=O InChI=1/NO2/c2-1-3
NITROGEN-OXIDE
          c1(c(N=O)cccc1)
NITROSOBENZENE        InChI=1/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
          N#N=O
NITROUS-OXIDE         InChI=1/N2O/c1-2-3
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
                      InChI=1/C96H160N2O17P2/c1-69(2)35-20-36-70(3)37-21-38-71(4)39-22-40-72(5)41-23-42-73(6)43-24
NN-DIACETYLCHITOBIOSYLDIPHOSPHODOLICHO
          CN(C)C1(=CC=C(N)C=C1)
                      InChI=1/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
NN-DIMETHYL-14-PHENYLENEDIAMINE
          CN(C)C1(=CC=CC=C1)
NN-DIMETHYLANILINE InChI=1/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
          CN(C)(=O)c1(ccccc1)
                      InChI=1/C8H11NO/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,1-2H3
NN-DIMETHYLANILINE-N-OXIDE
          c           InChI=1/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
NO2-PHEN-P1(OP(O)(=O)O)(ccc(cc1)N(=O)=O)
          C(CC(N)C(O)=O)Oc1(ccc(cc1)C(=NO)C(=O)NC2(C(=O)N(C2)C(C(O)=O)c3(ccc(O)cc3)))
NOCARDICIN-A          InChI=1/C23H24N4O9/c24-16(22(31)32)9-10-36-15-7-3-12(4-8-15)18(26-35)20(29)25-17-11-27(21(17
          C1(C(C(=O)N1C(C(O)=O)c2(ccc(O)cc2))NC(=O)C(=NO)c3(ccc(O)cc3))
NOCARDICIN-E          InChI=1/C19H17N3O7/c23-12-5-1-10(2-6-12)15(21-29)17(25)20-14-9-22(18(14)26)16(19(27)28)11-3-7
          C(CS(=O)(O)=O)NC(=N)NP(O)(O)=O
                      InChI=1/C3H10N3O6PS/c4-3(6-13(7,8)9)5-1-2-14(10,11)12/h1-2H2,(H,10,11,12)(H5,4,5,6,7,8,9)
NOMEGA-PHOSPHOHYPOTAUROCYAMINE
          CCCC(=O)CC(=O)CCC
NONANE-46-DIONE InChI=1/C9H16O2/c1-3-5-8(10)7-9(11)6-4-2/h3-7H2,1-2H3
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOC(=O)c1(ccc(O)cc1)
                      InChI=1/C52H78O3/c1-41(2)19-11-20-42(3)21-12-22-43(4)23-13-24-44(5)25-14-26-45(6)27-15-28-46(
NONAPRENYL-4-HYDROXYBENZOATE
          C(N)C(O)c1(cc(O)c(O)cc1)
NOREPINEPHRINE        InChI=1/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2
          [CH2]1([NH][CH](c2(c([CH2]1)[cH]c(O[CH3])c([OH])[cH]2))[CH2]c3([cH]c(O[CH3])c([OH])[cH][cH]3))
NORORIENTALINE        InChI=1/C18H21NO4/c1-22-17-8-11(3-4-15(17)20)7-14-13-10-16(21)18(23-2)9-12(13)5-6-19-14/h3-4,
          C1(OC(CO)C(O)C(O)1)
NUKED-PENTOSE-RINGInChI=1/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2
                      InChI=1/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(1
NYSTOSE C(O)C1(OC(C(O)C(O)C(O)1)OC2(OC(CO)C(O)C(O)2)COC3(OC(CO)C(O)C(O)3)COC4(CO)(OC(CO)C(O)C(O)4))
          CC(COC1(C(O)C(O)C(O)C(O1)CO))=CCNc3(c2(c([nH]cn2)ncn3))
                      InChI=1/C16H23N5O6/c1-8(2-3-17-14-10-15(19-6-18-10)21-7-20-14)5-26-16-13(25)12(24)11(23)9(4-2
O-BETA-D-GLUCOSYL-CIS-ZEATIN
          C(O)C2(C(NC(=O)C(N)Cc1(ccc(O)cc1))C(O)C(O2)n3(c4(c(nc3)c(N(C)C)ncn4)))
O-DEMETHYLPUROMYCIN   InChI=1/C21H27N7O5/c1-27(2)18-16-19(24-9-23-18)28(10-25-16)21-17(31)15(14(8-29)33-21)26-20(3
          c1(cc(Cl)c(Cl)cc1)
O-DICHLOROBENZENE InChI=1/C6H4Cl2/c7-5-3-1-2-4-6(5)8/h1-4H
          C1(OC2(=C(C=1)C(OC)=C3(C(=C2)OC(=O)C=C3)))
O-METHYLBERGAPTOL InChI=1/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
          c1(nc2(c(cc1)C=Cc3(c2nccc3)))
O-PHENANTHROLINE InChI=1/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
          C(O)(=O)C(N)CCOP(O)(=O)O
O-PHOSPHO-L-HOMOSERINEInChI=1/C4H10NO6P/c5-3(4(6)7)1-2-11-12(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)
          C(C[N+1](C)(C)C)OC(=O)C=Cc1(cc(OC)c(O)c(c1)OC)
O-SINAPOYLCHOLINE InChI=1/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-
          C(=O)(O)C(N)CCOC(=O)CCC(=O)O
                      InChI=1/C8H13NO6/c9-5(8(13)14)3-4-15-7(12)2-1-6(10)11/h5H,1-4,9H2,(H,10,11)(H,13,14)
O-SUCCINYL-L-HOMOSERINE
          C(=O)(O)CCC(=O)c1(c(C(O)=O)cccc1)
O-SUCCINYLBENZOATE InChI=1/C11H10O5/c12-9(5-6-10(13)14)7-3-1-2-4-8(7)11(15)16/h1-4H,5-6H2,(H,13,14)(H,15,16)
          c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)c4
O-SUCCINYLBENZOYL-COAInChI=1/C32H44N7O20P3S/c1-32(2,26(45)29(46)35-10-9-21(41)34-11-12-63-31(47)18-6-4-3-5-17(18)1
          C(ONC(=O)N)CC(N)C(O)=O
O-UREIDOHOMOSERINE   InChI=1/C5H11N3O4/c6-3(4(9)10)1-2-12-8-5(7)11/h3H,1-2,6H2,(H,9,10)(H3,7,8,11)
          CC(C)C(=C)CCC(C)C1(C2(C)(C(C)(CC1)C3(=C(CC2)C4([CH](CC3)C(C)C(O)CC4)(C))))
OBTUSIFOLIOL         InChI=1/C30H50O/c1-19(2)20(3)9-10-21(4)23-13-17-30(8)26-12-11-24-22(5)27(31)15-16-28(24,6)25(2
          C(=O)(O)CCCCCCCC=CCCCCCCCC(O)=O
                     InChI=1/C18H32O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-2H,3-16H2,(H,19
OCTADEC-9-ENE-118-DIOIC-ACID
OCTANOL CCCCCCCCO    InChI=1/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
          C1(OC(C(C(O)1)OP(=O)(O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC)(n2(c3(c(nc2
OCTANOYL-COA         InChI=1/C29H50N7O17P3S/c1-4-5-6-7-8-9-20(38)57-13-12-31-19(37)10-11-32-27(41)24(40)29(2,3)15-
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(O)(O)=O
                     InChI=1/C40H68O7P2/c1-33(2)17-10-18-34(3)19-11-20-35(4)21-12-22-36(5)23-13-24-37(6)25-14-26-3
OCTAPRENYL-DIPHOSPHATE
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=CC(C=1)=O)
                     InChI=1/C47H70O3/c1-36(2)18-11-19-37(3)20-12-21-38(4)22-13-23-39(5)24-14-25-40(6)26-15-27-41(
OCTAPRENYL-METHOXY-BENZOQUINONE
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=CC(=O)C=1C)
                     InChI=1/C48H72O3/c1-36(2)19-12-20-37(3)21-13-22-38(4)23-14-24-39(5)25-15-26-40(6)27-16-28-41(
OCTAPRENYL-METHYL-METHOXY-BENZQ
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=C(O)C(=O)C=1C)
                     InChI=1/C48H72O4/c1-35(2)19-12-20-36(3)21-13-22-37(4)23-14-24-38(5)25-15-26-39(6)27-16-28-40(
OCTAPRENYL-METHYL-OH-METHOXY-BENZQ
OH        [OH-1]     InChI=1/H2O/h1H2/p-1
          c1(c(NO)cccc1)
OH-AMINO-BENZENE InChI=1/C6H7NO/c8-7-6-4-2-1-3-5-6/h1-5,7-8H
OH-CH3-SER           InChI=1/C4H9NO4/c5-4(1-6,2-7)3(8)9/h6-7H,1-2,5H2,(H,8,9)
          C(O)C(N)(CO)C(O)=O
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
OH-CROTONYL-COA InChI=1/C25H40N7O18P3S/c1-25(2,20(37)23(38)28-6-5-15(34)27-7-9-54-16(35)4-3-8-33)11-47-53(44,
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(O)=O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
OH-HEXANOYL-COA InChI=1/C27H46N7O18P3S/c1-4-5-15(35)10-18(37)56-9-8-29-17(36)6-7-30-25(40)22(39)27(2,3)12-49-
          CCCCCCCCCCCC(O)CC(=O)NC3(C(OP(O)(=O)OP(O)(=O)OCC1(OC(C(O)C(O)1)n2(c(=O)[nH]c(=O)cc2)))OC(CO)C(O)C3O
OH-MYRISTOYL         InChI=1/C43H77N3O20P2/c1-3-5-7-9-11-13-15-17-19-21-29(48)25-34(51)44-36-40(64-35(52)26-30(49
OH-PYR               InChI=1/C3H4O4/c4-1-2(5)3(6)7/h4H,1H2,(H,6,7)
          C(O)(=O)C(=O)CO
          CC1(OC(C(O)C(C1)N(C)C)OC4(C(C)C(OC2(CC(OC)C(O)C(O2)C))C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)CC4C))
OLEANDOMYCIN         InChI=1/C35H61NO12/c1-16-14-35(15-43-35)32(40)19(4)27(37)18(3)22(7)46-33(41)21(6)31(47-26-13
          CC1(OC(C(C(C1)N(C)C)OP(O)(O)=O)OC4(C(C)C(OC2(CC(OC)C(O)C(O2)C))C(C)C(=O)OC(C)C(C)C(O)C(C)C(=O)C3(CO3)
                     InChI=1/C35H62NO15P/c1-16-14-35(15-45-35)32(39)19(4)27(37)18(3)22(7)48-33(40)21(6)30(49-26-1
OLEANDOMYCIN-2-O-PHOSPHATE
OLEATE-CPD           InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(
          CCCCCCCCC=CCCCCCCCC(=O)O
          C          InChI=1/C39H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)
OLEOYL-COACCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC
                     InChI=1/C168H282N2O77P2/c1-82(2)35-20-36-83(3)37-21-38-84(4)39-22-40-85(5)41-23-42-86(6)43-2
OLIGOSACCHARIDE-DIPHOSPHODOLICHOL
                     InChI=1/C22H22O9/c1-28-12-4-2-11(3-5-12)15-10-29-16-8-13(6-7-14(16)18(15)24)30-22-21(27)20(26
ONONIN c2(c(c1(ccc(OC)cc1))c(=O)c3(c(o2)cc(cc3)OC4(C(O)C(O)C(O)C(O4)CO)))
          C2(N4(C(=C(Cc1(ccccc1))NC=2c3(ccc(O)cc3))N=C(C4=O)Cc5(ccc(O)cc5)))
OPLOPHORUS-LUCIFERIN InChI=1/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(2
          Cc1(cc(O)cc(c1)O)
ORCINOL-CPD          InChI=1/C7H8O2/c1-5-2-6(8)4-7(9)3-5/h2-4,8-9H,1H3
                     InChI=1/C5H4N2O4/c8-3-1-2(4(9)10)6-5(11)7-3/h1H,(H,9,10)(H2,6,7,8,11)
OROTATE C(O)(=O)c1([nH]c(=O)[nH]c(c1)=O)
          c1(=O)([nH]c(=O)n(c(c1)C(O)=O)[CH]2(O[CH]([CH](O)[CH]2O)COP(O)(=O)O))
OROTIDINE-5-PHOSPHATEInChI=1/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4
          C(=O)(OC1(=CC(C)=C(C(O)=C1)C(O)=O))C2(C(O)=CC(O)=CC=2C)
ORSELDEP-CPD         InChI=1/C16H14O7/c1-7-3-9(17)5-11(18)14(7)16(22)23-10-4-8(2)13(15(20)21)12(19)6-10/h3-6,17-19H
          c23(n(c1(c(ccc(O)c1)cc(C(=O)NC(=O)N=2)3))CC(O)C(O)C(O)COP(=O)(O)OC(C)C(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)
OX-COENZYME-F420 InChI=1/C29H36N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(
          C(O)(=O)CC(=O)C(=O)O
OXALACETIC_ACID      InChI=1/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)
                     InChI=1/C2H2O4/c3-1(4)2(5)6/h(H,3,4)(H,5,6)
OXALATE C(O)(=O)C(O)=O
          C(=O)(O)CCC(C(O)=O)C(=O)C(O)=O
OXALO-GLUTARATE InChI=1/C7H8O7/c8-4(9)2-1-3(6(11)12)5(10)7(13)14/h3H,1-2H2,(H,8,9)(H,11,12)(H,13,14)
          C(O)(=O)CC(C(O)=O)C(=O)C(O)=O
OXALO-SUCCINATE      InChI=1/C6H6O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2H,1H2,(H,7,8)(H,10,11)(H,12,13)
          [          InChI=1/C23H36N7O19P3S/c1-23(2,16(33)19(34)26-4-3-12(31)25-5-6-53-22(37)21(35)36)8-46-52(43,4
OXALYL-COACH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(O)=O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
                     InChI=1/C2H3NO3/c3-1(4)2(5)6/h(H2,3,4)(H,5,6)
OXAMATE C(=O)(N)C(=O)O
          CC[CH](C)C(=O)Nc1(c(CCCNC(N)=N)nc(cn1)c2(c3(c([nH]c2)cccc3)))
                     InChI=1/C21H27N7O/c1-3-13(2)20(29)28-19-17(9-6-10-24-21(22)23)27-18(12-26-19)15-11-25-16-8-5-
OXIDIZED-CYPRIDINA-LUCIFERIN
          C1(C(O)C(O)CSS1)
                     InChI=1/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2
OXIDIZED-DITHIOTHREITOL
          C(=O)(CCC(N)C(O)=O)NC(C(=O)NCC(O)=O)CSSCC(C(=O)NCC(O)=O)NC(=O)CCC(N)C(=O)O
OXIDIZED-GLUTATHIONE InChI=1/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)
          CC(=O)CCC1(C(C)(C)CCCC=1C)
                     InChI=1/C13H22O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h5-9H2,1-4H3
OXIDIZED-LATIA-LUCIFERIN
          c2(nc(c(Cc1(ccccc1))nc2c3(ccc(O)cc3))NC(=O)Cc4(ccc(O)cc4))
OXIDIZED-LUCIFERIN InChI=1/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25
          c2(nc(c(Cc1(ccccc1))nc2c3(ccc(O)cc3))NC(=O)Cc4(ccc(O)cc4))
                     InChI=1/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25
OXIDIZED-OPLOPHORUS-LUCIFERIN
          C1(SC(=NC1=O)c2(sc3(c(n2)ccc(c3)O)))
                     InChI=1/C10H6N2O2S2/c13-5-1-2-6-7(3-5)16-10(11-6)9-12-8(14)4-15-9/h1-3,13H,4H2
OXIDIZED-PHOTINUS-LUCIFERIN
          c2(nc(c(Cc1(ccccc1))nc2c3(ccc(cc3)OS(=O)([O-1])=O))NC(=O)Cc4(ccc(cc4)OS(=O)([O-1])=O))
                     InChI=1/C25H21N3O9S2/c29-24(15-18-6-10-20(11-7-18)36-38(30,31)32)28-25-22(14-17-4-2-1-3-5-17)
OXIDIZED-WATASEMIA-LUCIFERIN
          CC(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)c1(ccccc1))(C)COP(O)(=O)OP(O)(=O)OC[CH]2(O[CH]([CH](O)[CH]2OP(O)(=
OXOCINNAMOYL-COA InChI=1/C30H42N7O18P3S/c1-30(2,25(42)28(43)33-9-8-20(39)32-10-11-59-21(40)12-18(38)17-6-4-3-5
          C(=O)(O)C=CC(=O)CC(O)=O
OXOHEX-2-ENEDIOATE InChI=1/C6H6O5/c7-4(3-6(10)11)1-2-5(8)9/h1-2H,3H2,(H,8,9)(H,10,11)
          C(O)(=O)C(=O)C(=O)O
OXOMALONATE          InChI=1/C3H2O5/c4-1(2(5)6)3(7)8/h(H,5,6)(H,7,8)
OXONIUM [OH3+1] InChI=1/H2O/h1H2/p+1
           C(O)(=O)C(=O)CC=C
OXOPENTENOATE         InChI=1/C5H6O3/c1-2-3-4(6)5(7)8/h2H,1,3H2,(H,7,8)
           O=O
OXYGEN-MOLECULE InChI=1/O2/c1-2
           C(=O)(O)c1(ccc(N)cc1)
P-AMINO-BENZOATE InChI=1/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
           C1(C(=O)C=CC(C=1)=O)
P-BENZOQUINONE        InChI=1/C6H4O2/c7-5-1-2-6(8)4-3-5/h1-4H
           C(O)(=O)C(N)Cc1(ccc(Cl)cc1)
P-CHLOROPHENYLALANINE InChI=1/C9H10ClNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)
           C(=O)(O)C(=O)Cc1(ccc(O)cc1)
                      InChI=1/C9H8O4/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,10H,5H2,(H,12,13)
P-HYDROXY-PHENYLPYRUVATE
           C(=O)(O)c1(ccc([Hg]O)cc1)
                      InChI=1/C7H5O2.Hg.H2O/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);;1H2/q;+1;/p-1
P-HYDROXYMERCURIBENZOATE
           c1(c(O)ccc(c1)N(=O)=O)
P-NITROPHENOL         InChI=1/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H
           [CH3]C(=O)Oc1([cH][cH]c([N+1](=O)[O-1])[cH][cH]1)
P-NITROPHENYL-ACETATE InChI=1/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3
           [CH]1([CH](O)[CH](O)[CH](O1)COP(=O)(O)O)n2(c(N)c(nc2)C(=O)NC(C(O)=O)CC(O)=O)
                      InChI=1/C13H19N4O12P/c14-10-7(11(22)16-4(13(23)24)1-6(18)19)15-3-17(10)12-9(21)8(20)5(29-12)2
P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE
P3I                   InChI=1/H5O10P3/c1-11(2,3)9-13(7,8)10-12(4,5)6/h(H,7,8)(H2,1,2,3)(H2,4,5,6)
           OP(O)(=O)OP(=O)(O)OP(=O)(O)O
                      InChI=1/C21H37NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(1
PALMATINEc3([n+1]1(c(c2(c(CC1)cc(OC)c(c2)OC))cc4(c3c(OC)c(OC)cc4)))
           C(=O)CCCCCCCCCCCCCCC
PALMITALDEHYDE        InChI=1/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h16H,2-15H2,1H3
                      InChI=1/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
PALMITATEC(=O)(O)CCCCCCCCCCCCCCC
           C(=O)([O-1])CC(C[N+1](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
PALMITOYL-CARNITINEInChI=1/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4
           C(O[CH2]C(=O)[CH2]OP([OH])(=O)[OH])(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH
                      InChI=1/C19H37O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h2
PALMITOYLGLYCERONE-PHOSPHATE
           c1(c2(c(ncn1)n(cn2)C3(OC(C(C(O)3)OP(O)(=O)O)COP(O)(=O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CC
PALMITYL-COA          InChI=1/C37H66N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28(46)65-21-20-39-27(45)18-19-
PAMIDRONATE           InChI=1/C3H11NO7P2/c4-2-1-3(5,12(6,7)8)13(9,10)11/h5H,1-2,4H2,(H2,6,7,8)(H2,9,10,11)
           C(N)CC(O)(P(O)(O)=O)P(O)(O)=O
           CC(C)(COP(O)(=O)O)C(O)C(=O)NCCC(=O)NCCS
PANTETHEINE-P         InChI=1/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H
           C(O)C(C)(C)C(O)C(=O)NCCC(=O)NCCS
PANTHETHEINE          InChI=1/C11H22N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h9,14,16,18H,3-7H2,1-2H3,(H
           CC(C)(CO)C(O)C(=O)NCCC(O)=O
PANTOTHENATE          InChI=1/C9H17NO5/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13)
PANTOTHENOL           InChI=1/C9H19NO4/c1-9(2,6-12)7(13)8(14)10-4-3-5-11/h7,11-13H,3-6H2,1-2H3,(H,10,14)
           CC(CO)(C)[CH](O)C(=O)NCCCO
           C1(C(C)(C)C(O)C(=O)O1)
PANTOYL-LACTONE InChI=1/C6H10O3/c1-6(2)3-9-5(8)4(6)7/h4,7H,3H2,1-2H3
PAP                   InChI=1/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(25-27(20,21)22)4(24-10)1-23-26(
           C(OP(=O)(O)O)[CH]1(O[CH](C(O)C1OP(=O)(O)O)n2(c3(c(nc2)c(N)ncn3)))
           C(C(O)CC(O)OP(=O)(O)O[CH]1(O[CH]([CH2][CH]1OP(O)(O)=O)n2(c3(c(nc2)c(N)ncn3))))SCCNC(=O)CCNC(=O)C(O)C(C
PAP-MALONYL-COA InChI=1/C34H55N12O27P5S/c1-34(2,11-66-77(61,62)73-76(59,60)65-9-18-25(71-75(56,57)58)24(50)3
PAPS                  InChI=1/C10H15N5O13P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-30
           [CH]1(O[CH](C(C(O)1)OP(=O)(O)O)COP(O)(=O)OS(O)(=O)=O)n2(c3(c(nc2)c(N)ncn3))
                      InChI=1/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
PARAOXONC(C)OP(OCC)(=O)Oc1(ccc([N+1]([O-1])=O)cc1)
PARATHION             InChI=1/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
           C(C)OP(OCC)(=S)Oc1(ccc([N+1]([O-1])=O)cc1)
PB2        [Pb+2]     InChI=1/Pb/q+2
PD+2       [Pd+2]     InChI=1/Pd/q+2
           C1(OC(CO)C(O)C(O)C(O)1)OC3(C(c2(ccc(O)cc2))=Oc4(c(C=3)c(O)cc(O)c4))
                      InChI=1/C21H21O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(
PELARGONIDIN-3-GLUCOSIDE-CMPD
           c3(c2(O=C(c1(ccc(O)cc1))C(O)=Cc2c(O)cc(O)3))
PELARGONIDIN-CMPD InChI=1/C15H11O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7,16-19H
           C          InChI=1/C16H18N2O4S/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9/h3-7
PENICILLIN-GC1(C)([CH](C([O-1])=O)N2([CH](S1)[CH](C2=O)NC(=O)Cc3(ccccc3)))
           C          InChI=1/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,
PENICILLIN-NC1(C)([CH](C([O-1])=O)N2([CH](S1)[CH](C2=O)NC(=O)CCC[CH]([N+1])C(O)=O))
           C1(=C(Cl)C(Cl)=C(O)C(Cl)=C(Cl)1)(Cl)
PENTACHLOROPHENOLInChI=1/C6HCl5O/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
           COC1(C(O)C(O)C(O)C(=O)C1O)
                      InChI=1/C7H12O6/c1-13-7-5(11)3(9)2(8)4(10)6(7)12/h2-3,5-9,11-12H,1H3
PENTAHYDROXYCYCLOHEXANONE
           CC(=O)CCC InChI=1/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
PENTAN-2-ONE
PENTANOL CCCCCO InChI=1/C5H12O/c1-2-3-4-5-6/h6H,2-5H2,1H3
           C(CSC(=O)CCCC)NC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(=O)O)n2(c3
PENTANOYLCOA-CPD InChI=1/C26H44N7O17P3S/c1-4-5-6-17(35)54-10-9-28-16(34)7-8-29-24(38)21(37)26(2,3)12-47-53(44,
           C1(O)(OC(CO)C(O)C(O)1)
PENTOSE-RING          InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2
           CC(C)(O)CCc1(c(O)ccc2([CH]3([CH](Oc12)c4(c(OC3)cc(O)cc4))))
PHASEOLLIDIN-HYDRATE  InChI=1/C20H22O5/c1-20(2,23)8-7-13-16(22)6-5-12-15-10-24-17-9-11(21)3-4-14(17)19(15)25-18(12)1
PHE                   InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)
           C(O)(=O)C(N)Cc1(ccccc1)
           c1(cc2(c(cc1)c3(c(cc2)ccc(O)c3O)))
PHENANTHRENE-34-DIOL  InChI=1/C14H10O2/c15-12-8-7-10-6-5-9-3-1-2-4-11(9)13(10)14(12)16/h1-8,15-16H
           c1(ccc2(c(c1)ccc3(ccccc23)))
PHENANTHRENE-RING InChI=1/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
PHENOL c1(O)(ccccc1)  InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
           c1(cc(OP(O)(O)=O)ccc1)
PHENOL-PHOSPHATE InChI=1/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
           CC12(CCC3(C(C(CCC1)2)CCc4(c3ccc(c4)O)))
PHENOLIC-STEROID InChI=1/C18H24O/c1-18-9-2-3-17(18)16-6-4-12-11-13(19)5-7-14(12)15(16)8-10-18/h5,7,11,15-17,19H
                      InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3
PHENYL CC(=O)c1(ccccc1)
           C(=O)(O)C(=O)Cc1(ccccc1)
PHENYL-PYRUVATE       InChI=1/C9H8O3/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,12)
           C(=O)Cc1(ccccc1)
PHENYLACETALDEHYDE    InChI=1/C8H8O/c9-7-6-8-4-2-1-3-5-8/h1-5,7H,6H2
           C(=NO)Cc1(ccccc1)
PHENYLACETALDOXIME    InChI=1/C8H9NO/c10-9-7-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2
           C(=O)(O)Cc1(ccccc1)
PHENYLACETATE         InChI=1/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
           C(#N)Cc1(ccccc1)
PHENYLACETONITRILE InChI=1/C8H7N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6H2
           C(S)(=NO)Cc1(ccccc1)
                      InChI=1/C8H9NOS/c10-9-8(11)6-7-4-2-1-3-5-7/h1-5,10H,6H2,(H,9,11)
PHENYLACETOTHIOHYDROXIMATE
           C(N)C(O)C1(=CC=CC=C1)
PHENYLETHANOLAMINE    InChI=1/C8H11NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H,6,9H2
           C(N)Cc1(ccccc1)
PHENYLETHYLAMINE InChI=1/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2
           C(=O)C(=O)c1(ccccc1)
PHENYLGLYOXAL         InChI=1/C8H6O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6H
           C(=O)(O)C(=O)c1(ccccc1)
PHENYLGLYOXYLATE InChI=1/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
           C1(C(NC(N1)=O)C2(=CC=CC=C2))(=O)
PHENYLHYDANTOIN InChI=1/C9H8N2O2/c12-8-7(10-9(13)11-8)6-4-2-1-3-5-6/h1-5,7H,(H2,10,11,12,13)
           c1(ccc(NN)cc1)
PHENYLHYDRAZINE InChI=1/C6H8N2/c7-8-6-4-2-1-3-5-6/h1-5,8H,7H2
PHLORETATE            InChI=1/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
           C(O)(=O)CCC1(=CC=C(O)C=C1)
                      InChI=1/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,1
PHLORETINC(C1(=C(O)C=C(O)C=C1O))(=O)CCC2(=CC=C(O)C=C2)
           CCCC(=O)O[CH]2(C1(OC(=O)CCC)([CH](C(C)1C)[CH]4(C(O)(C2C)[CH]3(C(O)(C(=O)C(=C3)C)CC(=C4)C))))
                      InChI=1/C28H40O7/c1-8-10-20(29)34-24-17(5)27(33)18(22-25(6,7)28(22,24)35-21(30)11-9-2)12-15(3)
PHORBOL-1213-DIBUTANOATE
           CCCC(=O)OC12([CH](O)C(C)C3(O)([CH]([CH](C(C)1C)2)C=C(C)CC4(O)(C(=O)C(C)=C[CH]34)))
PHORBOL-13-BUTANOATE  InChI=1/C24H34O6/c1-7-8-17(25)30-24-18(21(24,5)6)15-9-12(2)11-22(28)16(10-13(3)19(22)26)23(15,
           P(O)(=O)([O-1])O
PHOSPHATE-GROUP InChI=1/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-1
           C=C(C(=O)O)OP(O)(=O)O
PHOSPHO-ENOL-PYRUVATE InChI=1/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
           C([O-1])(=O)C(N)C(O)COP(=O)(O)O
                      InChI=1/C4H10NO7P/c5-3(4(7)8)2(6)1-12-13(9,10)11/h2-3,6H,1,5H2,(H,7,8)(H2,9,10,11)/p-1
PHOSPHO-HYDROXY-THREONINE
PHOSPHONATEO=[PH](O)OInChI=1/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)
           C(O)(=O)C(C)OP(O)(=O)O
PHOSPHOPYRUVATE InChI=1/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)
           NP(O)(O)=OInChI=1/H4NO3P/c1-5(2,3)4/h(H4,1,2,3,4)
PHOSPHORAMIDATE
           C(OP(O)(=O)O)C1(OC(C(O)C(O)1)n3(c2(ncn(c(=N)c2nc3)C4(OC(C(O)C(O)4)COP(O)(=O)O))))
PHOSPHORIBOSYL-AMP    InChI=1/C15H23N5O14P2/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(33-14)1-31-35(25,26)27)20(3-17-
           C(OP(O)(=O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C(O)1)n3(c2(ncn(c(=N)c2nc3)C4(OC(C(O)C(O)4)COP(O)(=O)O))))
PHOSPHORIBOSYL-ATP InChI=1/C15H25N5O20P4/c16-12-7-13(18-4-19(12)14-10(23)8(21)5(37-14)1-35-41(25,26)27)20(3-17-
           C(OP(O)(O)=O)C1(OC(C(O)C(O)1)n2(c(N)c(C(O)=O)nc2))
                      InChI=1/C9H14N3O9P/c10-7-4(9(15)16)11-2-12(7)8-6(14)5(13)3(21-8)1-20-22(17,18)19/h2-3,5-6,8,13
PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE
           c1(n(cnc(C(N)=O)1)[CH]2(O[CH]([CH](O)[CH]2O)COP(=O)(O)O))(NC=O)
                      InChI=1/C10H15N4O9P/c11-8(18)5-9(13-3-15)14(2-12-5)10-7(17)6(16)4(23-10)1-22-24(19,20)21/h2-4
PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE
           C(OP(=O)(O)O)[CH]1(O[CH]([CH](O)[CH]1O)NC=Nc2(n(cnc2C(=O)N)[CH]3(O[CH]([CH](O)[CH](O)3)COP(=O)(O)O)))
                      InChI=1/C15H25N5O15P2/c16-12(25)7-13(17-3-18-14-10(23)8(21)5(34-14)1-32-36(26,27)28)20(4-19-
PHOSPHORIBOSYL-FORMIMINO-AICAR-P
           C(N)(=O)c1(c(n(cn1)[CH]2(O[CH]([CH](O)[CH](O)2)COP(O)(=O)O))N=CNCC(=O)[CH](O)[CH](O)COP(O)(O)=O)
                      InChI=1/C15H25N5O15P2/c16-13(26)9-14(18-4-17-1-6(21)10(23)7(22)2-33-36(27,28)29)20(5-19-9)15
PHOSPHORIBULOSYL-FORMIMINO-AICAR-P
           C([N+1](C)(C)C)COP(O)(=O)O
PHOSPHORYL-CHOLINEInChI=1/C5H14NO4P/c1-6(2,3)4-5-10-11(7,8)9/h4-5H2,1-3H3,(H-,7,8,9)/p+1
           C(N)COP(O)(=O)O
                      InChI=1/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
PHOSPHORYL-ETHANOLAMINE
           C(=O)(O)C(N)C(C)OP(=O)(O)O
PHOSPHOTHREONINE InChI=1/C4H10NO6P/c1-2(3(5)4(6)7)11-12(8,9)10/h2-3H,5H2,1H3,(H,6,7)(H2,8,9,10)
           C1(SC(=N[CH]1C(O)=O)c2(sc3(c(n2)ccc(c3)O)))
PHOTINUS-LUCIFERIN InChI=1/C11H8N2O3S2/c14-5-1-2-6-8(3-5)18-10(12-6)9-13-7(4-17-9)11(15)16/h1-3,7,14H,4H2,(H,15,1
                      InChI=1/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)
PHTHALATEC(O)(=O)C1(=C(C(=O)O)C=CC=C1)
PHYTANATE             InChI=1/C20H38O2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)15-20(21)22/h15-18H,6-14H2,1-5
           CC(C)CCCC(C)CCCC(C)CCCC(C)=CC(O)=O
           C1(OC2(=C(C=C1)C=C3(C(=C2)OC=C3)))(=O)
PHYTOALEXIN-CMPD InChI=1/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
                      InChI=1/C40H64/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(
PHYTOENE CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
                      InChI=1/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H
PHYTOL CC(=CCO)CCCC(C)CCCC(C)CCCC(C)C
           CCCCCCCCCCCCCCC(O)C(O)C(N)CO
PHYTOSPINGOSINE       InChI=1/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(21)18(22)16(19)15-20/h16-18,20-22H,2-1
           CC(=CCOP(O)(=O)OP(O)(=O)O)CCCC(C)CCCC(C)CCCC(C)C
PHYTYL-PYROPHOSPHATE  InChI=1/C20H42O7P2/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-26-29(24,25)27-28(21,22
                      InChI=1/C6H5NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H,(H,8,9)
PICOLINATEC(O)(=O)c1(ncccc1)
PINENE                InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H3
           CC2(C1(C(C)(C)C(C1)CC=2))
                      I
PIPERAZINEC1(NCCNC1)nChI=1/C4H10N2/c1-2-6-4-3-5-1/h5-6H,1-4H2
                      I
PIPERIDINE C1(NCCCC1)nChI=1/C5H11N/c1-2-4-6-5-3-1/h6H,1-5H2
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)C(C)=C(C)C(C=1)O)
PLASTOQUINOL-1        InChI=1/C53H84O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(C)=C(C)C(C=1)=O)
PLASTOQUINONE         InChI=1/C53H80O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(
          CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)C(C)=C(C)C(C=1)O)
PLASTOQUINONE-9 InChI=1/C53H84O2/c1-40(2)21-13-22-41(3)23-14-24-42(4)25-15-26-43(5)27-16-28-44(6)29-17-30-45(
PNPP                 InChI=1/C6H6NO6P/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h1-4H,(H2,10,11,12)
          c1(c(OP(O)(O)=O)ccc(c1)N(=O)=O)
          CC=C1(C2(C(C=O)(C(=O)OC)[CH]3(N(C1)[CH](C2)C4(C(C3)c5(c(N=4)cccc5)))))
                     InChI=1/C21H22N2O3/c1-3-12-10-23-17-9-15(12)21(11-24,20(25)26-2)18(23)8-14-13-6-4-5-7-16(13)2
POLYNEURIDINE-ALDEHYDE
          C(OP(O)(=O)OP(=O)(O)O)C=CCCC=C(C)C
POLYPRENYL-PPI       InChI=1/C9H18O7P2/c1-9(2)7-5-3-4-6-8-15-18(13,14)16-17(10,11)12/h4,6-7H,3,5,8H2,1-2H3,(H,13,14
          C(=C)O
POLYVINYL-ALCOHOL InChI=1/C2H4O/c1-2-3/h2-3H,1H2
          c1(c(CCC(O)=O)c(CC(O)=O)c(n1)CN)
PORPHOBILINOGEN InChI=1/C10H14N2O4/c11-4-8-7(3-10(15)16)6(5-12-8)1-2-9(13)14/h5,12H,1-4,11H2,(H,13,14)(H,15,16
          c15(nc(cc1)C=C2(N=C(C=C2)C=c3(nc(cc3)=CC4(C=CC(N=4)=C5))))
PORPHYRIN-RING       InChI=1/C20H14N4/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14
PPI                  InChI=1/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)
          O(P(O)(O)=O)P(O)(=O)O
PQQ                  InChI=1/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2
          C(=O)(O)c2(cc(C(O)=O)c1(c3(c(C(=O)C(=O)c1n2)cc([nH]3)C(O)=O)))
          C2(=C(C(O)C1(C(O)COP([O-1])(O1)=O))Nc3(c(N2)nc(N)nc3=O))
PRECURSOR-Z          InChI=1/C10H14N5O7P/c11-10-14-8-5(9(18)15-10)13-3(1-12-8)6(17)7-4(16)2-21-23(19,20)22-7/h1,4,6
          CC(=O)C1(C2(C)(C(CC1)C3(C(=CC2)C4(C)(C(CC3)=CC(=O)CC4))))
                     InChI=1/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,1
PREGNA-4911-DIENE-320-DIONE
          [CH3]C12([CH]([CH2][CH2][CH]([CH2][CH]=O)1)[CH]3([CH]([CH2][CH2]2)C4([CH]([CH2][CH2]3)[CH2][CH2][CH2][CH
PREGNAN-21-AL        InChI=1/C21H34O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h14-19H
          [CH3]C12([CH]([CH2][CH2][CH]([CH2][CH2][OH])1)[CH]3([CH]([CH2][CH2]2)C4([CH]([CH2][CH2]3)[CH2][CH2][CH2][
PREGNAN-21-OL        InChI=1/C21H36O/c1-20-12-4-3-5-15(20)6-8-17-18-9-7-16(11-14-22)21(18,2)13-10-19(17)20/h15-19,2
          CC12(C(CCC(C(O)C)1)C3(C(CC2)C4([CH](CC3)CC(O)CC4)(C)))
PREGNANEDIOL         InChI=1/C21H36O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h13
          CC(=O)[CH]1(C2([CH](CC1)C3([CH](CC2)C4(C)(C(=CC3)C[CH](O)CC4)))(C))
PREGNENOLONE         InChI=1/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,1
PRENAL C(=O)C=C(C)C  InChI=1/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
PRENOL C(O)C=C(C)C   InChI=1/C5H10O/c1-5(2)3-4-6/h3,6H,4H2,1-2H3
PREPHENATE           InChI=1/C10H10O6/c11-6-1-3-10(4-2-6,9(15)16)5-7(12)8(13)14/h1-4,6,11H,5H2,(H,13,14)(H,15,16)
          C(=O)(O)C(=O)CC1(C(O)=O)(C=C[CH](O)C=C1)
PRISTANATE           InChI=1/C19H38O2/c1-15(2)9-6-10-16(3)11-7-12-17(4)13-8-14-18(5)19(20)21/h15-18H,6-14H2,1-5H3
          CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)O
PRO                  InChI=1/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
          C(=O)(O)[CH]1(CCCN1)
          C(N)C[CH](O)[CH](C(O)=O)N1(C(=O)CC1)
PROCLAVAMINATE       InChI=1/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)
          CC12(C3(C(CCC(=CC(=O)CC1)2)C4(C(CC3)(C)C(C(=O)C)CC4)))
PROGESTERONE         InChI=1/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12
          C(O)C(O)C InChI=1/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
PROPANE-1,2-DIOL
PROPANOL CCCO        InChI=1/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
PROPENE C=CC         InChI=1/C3H6/c1-3-2/h3H,1H2,2H3
          CCC(=O)N InChI=1/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)
PROPIONAMIDE
PROPIONATEC(=O)(O)CCInChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(
PROPIONYL-COA        InChI=1/C24H40N7O17P3S/c1-4-15(33)52-8-7-26-14(32)5-6-27-22(36)19(35)24(2,3)10-45-51(42,43)48
          CCC(=O)OP(O)(=O)O
PROPIONYL-P          InChI=1/C3H7O5P/c1-2-3(4)8-9(5,6)7/h2H2,1H3,(H2,5,6,7)
          [CH]1(O[CH]([CH](O)[CH](O)1)COC(=O)CC)n2(c3(c(nc2)c(N)ncn3))
PROPIONYL_ADENYLATE  InChI=1/C13H17N5O5/c1-2-7(19)22-3-6-9(20)10(21)13(23-6)18-5-17-8-11(14)15-4-16-12(8)18/h4-6,9
          CCCCCC(O)C=CC1(C(C2(OOC1C2))CC=CCCCC(O)=O)
PROSTAGLANDIN-H2 InChI=1/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18-14-19(17)25-24-18)10-7-4-5-8-11-20(22)23/h4,7
          CC1(c2(c(C(O)C(O1)C)c(c3(c(c2O)c(O)cc(c3)O))c4(c5(c(c(O)cc4O)C(=O)C6(=C(C5=O)C(O)C(C)OC6C)))))
PROTOAPHIN-AGLUCONE  InChI=1/C30H28O11/c1-8-17-23(26(35)10(3)40-8)20(13-5-12(31)6-14(32)19(13)28(17)37)21-15(33)7-
PROTOHEME            InChI=1/C34H34N4O4.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(
          Cc4(c2(C=C8(N7([Fe]35(N1(=C(C(C)=C(CCC(O)=O)C1=Cc(n23)c4CCC(O)=O)C=c6(n5c(c(C=C)c(C)6)=CC=7C(C)=C8C=C
PROTON [H+1]         InChI=1/p+1
                     InChI=1/C20H19NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26
PROTOPINEC3(N(C)CCc1(c(cc2(c(c1)OCO2))C(=O)Cc4(ccc5(c(c34)OCO5))))
          Cc3(c(CCC(=O)O)c4(Cc1(nc(c(C)c1CCC(O)=O)Cc2(nc(c(C=C)c(C)2)Cc5(nc(Cc3n4)c(C=C)c(C)5)))))
PROTOPORPHYRINOGEN   InChI=1/C34H40N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41
          Cc5(c(CCC(=O)O)c4(C=C1(N=C(C(C)=C1CCC(=O)O)C=c2(nc(c(c2C)C=C)=CC3(=NC(C(=C3C)C=C)=Cc(n4)5)))))
PROTOPORPHYRIN_IX InChI=1/C34H34N4O4/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41
PRPP                 InChI=1/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14
          C(OP(O)(O)=O)C1(OC(C(O)C1O)OP(=O)(O)OP(O)(O)=O)
          Cc1(cc(C)c(C)cc1)
PSEUDOCUMENE         InChI=1/C9H12/c1-7-4-5-8(2)9(3)6-7/h4-6H,1-3H3
          CN1(C2(CC(O)CC1CC2))
PSEUDOTROPINE        InChI=1/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3
          c1(c(c(=O)[nH]c([nH]1)=O)C2(OC(C(O)C2O)COP(O)(O)=O))
PSEUDOURIDINE-5-P InChI=1/C9H13N2O9P/c12-5-4(2-19-21(16,17)18)20-7(6(5)13)3-1-10-9(15)11-8(3)14/h1,4-7,12-13H,2H
                     InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2
PSICOSE C(O)C(=O)C(O)C(O)C(O)CO
          C          InChI=1/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28
PSYCHOSINE 1(OC(CO)C(O)C(O)C(O)1)OCC(N)C(O)C=CCCCCCCCCCCCCC
          c1(nc2(c(nc1)cncn2))
PTERIDINE-RING       InChI=1/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H
                     InChI=1/C14H12N6O3/c15-14-19-11-10(12(21)20-14)18-9(6-17-11)5-16-8-3-1-7(2-4-8)13(22)23/h1-4,
PTEROATE C(O)(=O)c1(ccc(cc1)NCc2(cnc3(c(n2)c(O)nc(N)n3)))
PURINE               InChI=1/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
          C12(NC=NC(C=NC=N1)=2)
          c12(nc[nH]c(cncn1)2)
PURINE-RING          InChI=1/C5H4N4/c1-4-5(8-2-6-1)9-3-7-4/h1-3H,(H,6,7,8,9)
PUROMYCIN             InChI=1/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(
          C(O)C2(C(NC(=O)C(N)Cc1(ccc(OC)cc1))C(O)C(O2)n3(c4(c(nc3)c(N(C)C)ncn4)))
PUTRESCINEC(N)CCCN InChI=1/C4H12N2/c5-3-1-2-4-6/h1-6H2
          C2(=CC=C(O)c1(nc3(c(nc12)cccc3)))
PYOCYANINE-RED        InChI=1/C12H8N2O/c15-11-7-3-6-10-12(11)14-9-5-2-1-4-8(9)13-10/h1-7,15H
          C(=O)(N)C1(=CN=CC=N1)
PYRAZINAMIDE          InChI=1/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
          C(O)(=O)C1(=CN=CC=N1)
PYRAZINOIC-ACID       InChI=1/C5H4N2O2/c8-5(9)4-3-6-1-2-7-4/h1-3H,(H,8,9)
PYRAZOLE c1(ccn[nH]1) InChI=1/C3H4N2/c1-2-4-5-3-1/h1-3H,(H,4,5)
          C1(CCN[NH]1)
PYRAZOLIDINE          InChI=1/C3H8N2/c1-2-4-5-3-1/h4-5H,1-3H2
PYRIDINE c1(ncccc1) InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5H
          c1(ccccn1) InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5H
PYRIDINE-RING
                      InChI=1/C8H9NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,4,10,12H,3H2,1H3
PYRIDOXALC(=O)c1(c(CO)cnc(C)c(O)1)
          c1(c(COP(O)(O)=O)c(C=O)c(O)c(C)n1)
PYRIDOXAL_PHOSPHATE   InChI=1/C8H10NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2-3,11H,4H2,1H3,(H2,12,13,14)
          C(N)c1(c(CO)cnc(C)c1O)
PYRIDOXAMINE          InChI=1/C8H12N2O2/c1-5-8(12)7(2-9)6(4-11)3-10-5/h3,11-12H,2,4,9H2,1H3
          C(N)c1(c(COP(O)(=O)O)cnc(C)c(O)1)
PYRIDOXAMINE-5P       InChI=1/C8H13N2O5P/c1-5-8(11)7(2-9)6(3-10-5)4-15-16(12,13)14/h3,11H,2,4,9H2,1H3,(H2,12,13,14)
PYRIDOXINE            InChI=1/C8H11NO3/c1-5-8(12)7(4-11)6(3-10)2-9-5/h2,10-12H,3-4H2,1H3
          C(O)c1(c(CO)cnc(C)c(O)1)
          c1(c(c(CO)c(O)c(C)n1)COP(=O)(O)O)
PYRIDOXINE-5P         InChI=1/C8H12NO6P/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14/h2,10-11H,3-4H2,1H3,(H2,12,13,14)
          C1(=NCN(C=C1)C2(OC(C(O)C2O)COP(O)(O)=O))
                      InChI=1/C9H15N2O7P/c12-7-6(4-17-19(14,15)16)18-9(8(7)13)11-3-1-2-10-5-11/h1-3,6-9,12-13H,4-5H
PYRIMIDINE-5-NUCLEOTIDE
          c1(ncncc1) InChI=1/C4H4N2/c1-2-5-4-6-3-1/h1-4H
PYRIMIDINE-RING
PYROGALLOL            InChI=1/C6H6O3/c7-4-2-1-3-5(8)6(4)9/h1-3,7-9H
          c1(c(O)c(O)c(O)cc1)
          OP(=O)(O)OP(O)([O-1])=O
PYROPHOSPHATE-GROUP   InChI=1/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-1
          c1([nH]c(cc1)C(O)=O)
PYRROLE-2-CARBOXYLATE InChI=1/C5H5NO2/c7-5(8)4-2-1-3-6-4/h1-3,6H,(H,7,8)
          C1(NCCC1) InChI=1/C4H9N/c1-2-4-5-3-1/h5H,1-4H2
PYRROLIDINE
          C(O)(=O)C1(NC(=O)CC1)
                      InChI=1/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
PYRROLIDONE-CARBOXYLATE
          C(O)(=O)C1(N=CC(O)C1)
                      InChI=1/C5H7NO3/c7-3-1-4(5(8)9)6-2-3/h2-4,7H,1H2,(H,8,9)
PYRROLINE-HYDROXY-CARBOXYLATE
                      InChI=1/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
PYRUVATE C(=O)(O)C(=O)C
Pi                    InChI=1/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
          P([O-1])([O-1])(=O)[O-1]
QH2                   InChI=1/C19H28O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10,20-21H
          CC(C)=CCCC(C)=CCC1(=C(C)C(O)=C(OC)C(OC)=C(O)1)
          c1(c(ccc(O)c1OS(O)(=O)=O)c2(c(OS(=O)(O)=O)c(=O)c3(c(O)cc(O)cc(o2)3)))
                      InChI=1/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-8(17)10(3-6)
QUERCETIN-33-BISSULFATE
          c1(cc(cc(c1O)OS(=O)(O)=O)c2(c(OS(=O)(O)=O)c(=O)c3(c(o2)cc(OS(=O)(O)=O)cc3O)))
                      InChI=1/C15H10O16S3/c16-8-2-1-6(3-10(8)30-33(22,23)24)14-15(31-34(25,26)27)13(18)12-9(17)4-7(5
QUERCETIN-337-TRISSULFATE
          c1(c(cc(O)c(c1)OS(=O)(O)=O)c2(c(OS(=O)(O)=O)c(=O)c3(c(o2)cc(O)cc3O)))
                      InChI=1/C15H10O13S2/c16-7-4-9(18)12-11(5-7)26-14(15(13(12)19)28-30(23,24)25)6-1-2-10(8(17)3-6)
QUERCETIN-34-BISSULFATE
QUERCITRIN            InChI=1/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20
          C1(C(O)C(O)C(O)C(O1)C)OC3(=C(C2(C=C(O)C(O)=CC=2))OC4(C(C(=O)3)=C(O)C=C(C=4)O))
                      InChI=1/C16H12O5/c1-7-3-9-13(11(18)4-7)16(20)14-10(15(9)19)5-8(17)6-12(14)21-2/h3-6,17-18H,1-2
QUESTIN CC1(=CC3(=C(C(=C1)O)C(=O)C2(=C(OC)C=C(O)C=C2C(=O)3)))
                      InChI=1/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14
QUEUINE c1(c(c2(c(n1)nc(N)nc2=O))CNC3(C(O)C(O)C=C3))
QUINALDATE            InChI=1/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)
          C(O)(=O)C1(=NC2(=C(C=C1)C=CC=C2))
                      InChI=1/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12)
QUINATE C(=O)(O)C1([CH2][CH](O)[CH](O)[CH](O)[CH2]1)(O)
                      InChI=1/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)1
QUININE C=CC1([CH]2(C[CH](N(C1)CC2)C(O)c3(c4(c(ncc3)ccc(c4)OC))))
          C1(=NC2(=C(C=C1)C=CC=C2))(O)
QUINOLIN-2-OL         InChI=1/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
          c1(=O)(nc2(c(cc1)cccc2))
QUINOLIN-21H-ONE InChI=1/C9H7NO/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
          c1(O)(nc2(c(cc1)C=CC=C2O))
QUINOLIN-28-DIOL      InChI=1/C9H7NO2/c11-7-3-1-2-6-4-5-8(12)10-9(6)7/h1-5,11H,(H,10,12)
          c1(c(O)c(O)c2(c(n1)C=CC=C2))
QUINOLIN-34-DIOL      InChI=1/C9H7NO2/c11-8-5-10-7-4-2-1-3-6(7)9(8)12/h1-5,11H,(H,10,12)
          C1(=CC(O)=C2(C(=N1)C=CC=C2))
QUINOLIN-4-OL         InChI=1/C9H7NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h1-6H,(H,10,11)
          C(O)(=O)c1(c(C(=O)O)cccn1)
QUINOLINATE           InChI=1/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
          C(O)(=O)c1([n+1](cccc1C(=O)O)[CH]2(O[CH]([CH](O)[CH](O)2)COP(=O)(O)O))
QUINOLINATE_NUCLEOTIDEInChI=1/C12H14NO11P/c14-8-6(4-23-25(20,21)22)24-10(9(8)15)13-3-1-2-5(11(16)17)7(13)12(18)19/h
                      InChI=1/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H
QUINOLINEC1(=NC2(=C(C=C1)C=CC=C2))
          C(O)(=O)C1(=C2(C(=NC=C1)C=CC=C2))
                      InChI=1/C10H7NO2/c12-10(13)8-5-6-11-9-4-2-1-3-7(8)9/h1-6H,(H,12,13)
QUINOLINE-4-CARBOXYLATE
          C1(=O)(C(NC(N1)=O)NC(=O)N)
R--ALLANTOIN          InChI=1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
          C[CH](CN)OP(O)(O)=O
                      InChI=1/C3H10NO4P/c1-3(2-4)8-9(5,6)7/h3H,2,4H2,1H3,(H2,5,6,7)
R-1-AMINOPROPAN-2-YL-PHOSPHATE
          CC(O)c1(ccccc1)
R-1-PHENYLETHANOL InChI=1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
           C[CH]1(OC1)
R-12-EPOXYPROPANE InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
           C(=O)(O)CCC(O)C(O)=O
R-2-HYDROXYGLUTARATE  InChI=1/C5H8O5/c6-3(5(9)10)1-2-4(7)8/h3,6H,1-2H2,(H,7,8)(H,9,10)
           C(O)(=O)C(O)CCCCCCCCCCCCCCCC
R-2-HYDROXYSTEARATE   InChI=1/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H
           CC(C)(COP(O)(O)=O)C(O)C(=O)NCCC(=O)NC(C(O)=O)CS
                      InChI=1/C12H23N2O9PS/c1-12(2,6-23-24(20,21)22)9(16)10(17)13-4-3-8(15)14-7(5-25)11(18)19/h7,9,
R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE
           C1(N(C)C(CC1)C2(=CC=C(O)N=C2))
R-6-HYDROXYNICOTINE   InChI=1/C10H14N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h4-5,7,9H,2-3,6H2,1H3,(H,11,13)
           C          InChI=1/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(1
R-CANADINE 3(N1([CH](Cc2(c(C1)c(OC)c(OC)cc2))c4(c(C3)cc5(c(c4)OCO5))))
           C1(NC(c2(c(C1)cc(c(c2)O)OC))Cc3(ccc(O)cc3))
R-COCLAURINE          InChI=1/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15
           CC(O)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(c3
R-LACTOYL-COA         InChI=1/C24H40N7O18P3S/c1-12(32)23(37)53-7-6-26-14(33)4-5-27-21(36)18(35)24(2,3)9-46-52(43,44
           C(N)(=O)C(O)c1(ccccc1)
R-MANDELAMIDE         InChI=1/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)
           C1(N(C)C(c2(c(C1)cc(c(c2)O)OC))Cc3(ccc(O)cc3))
R-N-METHYLCOCLAURINE  InChI=1/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-
                      InChI=1/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
R-NICOTINEC1(N=CC(=CC=1)C2(N(C)CCC2))
           C1(NC(c2(c(C1)cc(O)c(c2)O))Cc3(ccc(O)cc3))
R-NORCOCLAURINE InChI=1/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-
           CC(O)CSCCS(=O)(O)=O
                      InChI=1/C5H12O4S2/c1-5(6)4-10-2-3-11(7,8)9/h5-6H,2-4H2,1H3,(H,7,8,9)
R-OR-S-2-HYDROXYPROPYL-COM
           C[CH](C(=O)O)OP(O)(O)=O
R-PHOSPHOLACTATE InChI=1/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)
           C(=O)(O)[CH](CC(=O)O)OP(O)(=O)O
R-PHOSPHOMALATE InChI=1/C4H7O8P/c5-3(6)1-2(4(7)8)12-13(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H2,9,10,11)
           C2(N(C)[CH](Cc1(ccc(OC)c(O)c1))c3(c(C2)cc(OC)c(O)c3))
R-RETICULINE          InChI=1/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4
                      InChI=1/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(2
R-VICIANIN C(#N)C(c1(ccccc1))OC2(OC(C(O)C(O)C2O)COC3(C(O)C(O)C(O)CO3))
           CC=C2(C(OC1(OC(CO)C(O)C(O)C(O)1))N7([CH]3(CC2C6(C(OC(C)=O)C4(C3=Nc5(c4cccc5))(C[CH]67)))))
RAUCAFFRICINE         InChI=1/C27H32N2O8/c1-3-12-13-8-16-23-27(14-6-4-5-7-15(14)28-23)9-17(19(13)24(27)35-11(2)31)2
           c23(N(c1(c(ccc(O)c1)Cc(c(=O)nc(=O)n2)3))CC(O)C(O)C(O)COP(=O)(O)OC(C)C(=O)NC(C(=O)O)CCC(=O)NC(C(=O)O)CC
RED-COENZYME-F420 InChI=1/C29H38N5O18P/c1-12(25(42)31-17(28(46)47)4-6-21(38)30-16(27(44)45)5-7-22(39)40)52-53(
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)c2(c(C(O)C=1C)cccc2))
REDUCED-MENAQUINONE   InChI=1/C51H76O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(
           C2(N4(C(=C(Cc1(ccccc1))NC=2c3(ccc(O)cc3))N=C(C4=O)Cc5(ccc(O)cc5)))
RENILLA-LUCIFERIN InChI=1/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(2
                      InChI=1/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,1
RETINAL CC(=CC=CC(C)=CC=O)C=CC1(=C(C)CCCC(C)(C)1)
                      InChI=1/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H
RETINOATECC1(=C(C(C)(C)CCC1)C=CC(C)=CC=CC(C)=CC(=O)O)
                      InChI=1/C20H30O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,21H,7,1
RETINOL CC(=CC=CC(C)=CCO)C=CC1(C(C)(C)CCCC=1C)
                      InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3
RHAMNOSECC1(C(O)C(O)C(O)C(O1)O)
RHAMNULOSE            InChI=1/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3
           [CH]1(O)([CH](O)[CH](O)[CH](O)[CH](C)O1)
           [CH]1([CH](O)[CH](O)[CH](O)[CH](C)O1)(OP(O)(O)=O)
RHAMNULOSE-1P         InChI=1/C6H13O8P/c1-2-3(7)4(8)5(9)6(13-2)14-15(10,11)12/h2-9H,1H3,(H2,10,11,12)
RIBITOL               InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
           C(O)C(O)C(O)C(O)CO
RIBOFLAVIN            InChI=1/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)1
           C(O)C(O)C(O)C(O)Cn2(c1(c(C(=O)NC(N=1)=O)=nc3(c2cc(C)c(C)c3)))
RIBOSE                InChI=1/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2
           C(O)C1(C(O)C(O)C(O1)O)
           C(O)[CH]1(O[CH]([CH](O)[CH]1O)O[As](O)(=O)O)
RIBOSE-1-ARSENATE InChI=1/C5H11AsO8/c7-1-2-3(8)4(9)5(13-2)14-6(10,11)12/h2-5,7-9H,1H2,(H2,10,11,12)
           C1(OC(C(O)C(O)1)COP(O)(=O)O)(OP(O)(=O)O)
RIBOSE-15-BISPHOSPHATEInChI=1/C5H12O11P2/c6-3-2(1-14-17(8,9)10)15-5(4(3)7)16-18(11,12)13/h2-7H,1H2,(H2,8,9,10)(H2,11
                      InChI=1/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)
RIBOSE-1P C(O)[CH]1(O[CH](OP(O)(O)=O)[CH](O)[CH](O)1)
                      InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)
RIBOSE-5P C(=O)C(O)C(O)C(O)COP(O)(=O)O
                      InChI=1/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h3,5-8,10H,1-2H2
RIBULOSE C(O)C(O)C(O)C(=O)CO
RIBULOSE-5P           InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)
           C(O)C(=O)C(O)C(O)COP(O)(=O)O
                      InChI=1/C8H8N2O2/c1-10-4-3-7(12-2)6(5-9)8(10)11/h3-4H,1-2H3
RICININE C1(=O)(C(C#N)=C(OC)C=CN1C)
RIFAMYCIN-B           InChI=1/C39H49NO14/c1-17-11-10-12-18(2)38(49)40-24-15-26(51-16-27(42)43)28-29(34(24)47)33(46
           C(C(=O)O)OC2(=C3(C1(=C4(OC(C)(C1=O)OC=CC(OC)C(C)C(OC(C)=O)C(C)C(O)C(C)C(O)C(C)C=CC=C(C)C(=O)NC(=C2)C
RIFAMYCIN-O           InChI=1/C39H47NO14/c1-17-11-10-12-18(2)37(48)40-24-15-39(51-16-26(42)53-39)29-27(33(24)46)32
           CC15(OC4(C(C(=O)1)=C3(C2(OCC(O2)=O)C=C(C(=O)C3=C(O)C=4C)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O
RISEDRONATE           InChI=1/C7H11NO7P2/c9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h1-3,5,9H,4H2,(H2,10,11,12)(H2
           c1(c(CC(O)(P(O)(O)=O)P(O)(O)=O)cccn1)
ROSMARINATE           InChI=1/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h
           C(=O)(C=Cc1(cc(O)c(O)cc1))OC(C(O)=O)Cc2(cc(O)c(O)cc2)
RUTIN                 InChI=1/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(
           C1(C(O)C(O)C(O)C(O1)COC2(C(O)C(O)C(O)C(C)O2))Oc4(c(c3(cc(O)c(O)cc3))oc5(c(c(=O)4)c(O)cc(c5)O))
           CC(O)c1(ccccc1)
S-1-PHENYLETHANOL InChI=1/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3
           C[CH]1(CO1)
S-12-EPOXYPROPANE InChI=1/C3H6O/c1-3-2-4-3/h3H,2H2,1H3
           CCCCCCCCCCCCCCCCC(O)C(O)=O
S-2-HYDROXYSTEARATE   InChI=1/C18H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21/h17,19H,2-16H2,1H3,(H
           C(C(O)=O)NC(=O)C(NC(=O)CCC(N)C(O)=O)CSc1(c([N+1](O)=O)cc([N+1](O)=O)cc1)
                      InChI=1/C16H19N5O10S/c17-9(16(26)27)2-4-13(22)19-10(15(25)18-6-14(23)24)7-32-12-3-1-8(20(28)2
S-24-DINITROPHENYLGLUTATHIONE
           CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(=O)O)n2(c
                      InChI=1/C25H42N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44
S-3-HYDROXYBUTANOYL-COA
           CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)c1(oc(O)cc1))COP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=O)n3(c4(c(nc3
                       InChI=1/C26H38N7O19P3S/c1-26(2,20(37)23(38)29-6-5-15(34)28-7-8-56-25(39)13-3-4-16(35)49-13)10
S-5-HYDROXY-2-FUROYL-COA
           [CH2]3(N1([CH]([CH2]c2(c([CH2]1)c(O[CH3])c(O[CH3])[cH][cH]2))c4(c([CH2]3)[cH]c5(c([cH]4)O[CH2]O5))))
                       InChI=1/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(1
S-781314-TETRAHYDROPROTOBERBERINE
           c12(c(c(N)ncn1)ncn2CC(O)CO)
                       InChI=1/C8H11N5O2/c9-7-6-8(11-3-10-7)13(4-12-6)1-5(15)2-14/h3-5,14-15H,1-2H2,(H2,9,10,11)
S-9-23-DIHYDROXYPROPYL-ADENI
           C(S)CC(SC(C)=O)CCCCC(=O)N
                       InChI=1/C10H19NO2S2/c1-8(12)15-9(6-7-14)4-2-3-5-10(11)13/h9,14H,2-7H2,1H3,(H2,11,13)
S-ACETYLDIHYDROLIPOAMIDE
           CC(=O)SCC(C(=O)NCC(O)=O)NC(=O)CCC(N)C(O)=O
S-ACETYLGLUTATHIONE    InChI=1/C12H19N3O7S/c1-6(16)23-5-8(11(20)14-4-10(18)19)15-9(17)3-2-7(13)12(21)22/h7-8H,2-5,13
           CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(O)=O
                       InChI=1/C13H25N2O8PS/c1-9(16)25-7-6-14-10(17)4-5-15-12(19)11(18)13(2,3)8-23-24(20,21)22/h11,1
S-ACETYLPHOSPHOPANTETHEINE
           C(CC(=O)C(=O)O)[S+1](C)CC1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
                       InChI=1/C15H19N5O6S/c1-27(3-2-7(21)15(24)25)4-8-10(22)11(23)14(26-8)20-6-19-9-12(16)17-5-18-1
S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE
           C(N)CC[S+1](C)CC1(OC(C(O)C(O)1)n2(c3(c(nc2)c(N)ncn3)))
                       InChI=1/C14H23N6O3S/c1-24(4-2-3-15)5-8-10(21)11(22)14(23-8)20-7-19-9-12(16)17-6-18-13(9)20/h6
S-ADENOSYLMETHIONINAMINE
           C(CC(N)C(O)=O)[S+1](C)CC1(O[CH]([CH](O)[CH]1O)N2(c3(c(N=C2)c(N)ncn3)))
S-ADENOSYLMETHIONINE   InChI=1/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-1
S-ALLANTOIN            InChI=1/C4H6N4O3/c5-3(10)6-1-2(9)8-4(11)7-1/h1H,(H3,5,6,10)(H2,7,8,9,11)
           C1(=O)(C(NC(N1)=O)NC(=O)N)
           C3(n1(c2(c(nc1)c(N)ncn2)))(OC(C(C(O)3)OP(=O)(O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(=
S-BENZYLSUCCINYL-COA   InChI=1/C32H46N7O19P3S/c1-32(2,26(44)29(45)35-9-8-21(40)34-10-11-62-31(46)19(13-22(41)42)12-
           C(C(N)C(O)=O)SCC(=O)O
                       InChI=1/C5H9NO4S/c6-3(5(9)10)1-11-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)
S-CARBOXYMETHYL-D-CYSTEINE
           C1(N3([CH](c2(c(C1)cc(c(c2)O)OC))Cc4(c(C3)c5(c(cc4)OCO5))))
S-CHEILANTHIFOLINE InChI=1/C19H19NO4/c1-22-18-7-12-4-5-20-9-14-11(2-3-17-19(14)24-10-23-17)6-15(20)13(12)8-16(18
           C(O)(=O)CC(O)(C)C(=O)O
S-CITRAMALATE          InChI=1/C5H8O5/c1-5(10,4(8)9)2-3(6)7/h10H,2H2,1H3,(H,6,7)(H,8,9)
           C2(N[CH](Cc1(ccc(O)cc1))c3(c(C2)cc(OC)c(O)c3))
S-COCLAURINE           InChI=1/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15
           C(C(O)=O)NC(=O)C(CSCO)NC(=O)CCC(N)C(O)=O
                       InChI=1/C11H19N3O7S/c12-6(11(20)21)1-2-8(16)14-7(4-22-5-15)10(19)13-3-9(17)18/h6-7,15H,1-5,12
S-HYDROXYMETHYLGLUTATHIONE
           CC(=O)NC(CSCO)C(=O)NC1(C(OC(CO)C(O)C(O)1)OC2(C(O)C(O)C(O)C(O)C2O))
                       InChI=1/C18H32N2O13S/c1-5(23)19-6(3-34-4-22)17(31)20-8-10(25)9(24)7(2-21)32-18(8)33-16-14(29)
S-HYDROXYMETHYLMYCOTHIOL
           C(O)(=O)C(N)CCC(=O)NC(CSC(=O)C(C)O)C(=O)NCC(=O)O
S-LACTOYL-GLUTATHIONE  InChI=1/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,1
           C(O)(=O)CSC
S-METHYLTHIOGLYCOLATE  InChI=1/C3H6O2S/c1-6-2-3(4)5/h2H2,1H3,(H,4,5)
           C2(N(C)[CH](Cc1(ccc(O)cc1))c3(c(C2)cc(OC)c(O)c3))
S-N-METHYLCOCLAURINE   InChI=1/C18H21NO3/c1-19-8-7-13-10-18(22-2)17(21)11-15(13)16(19)9-12-3-5-14(20)6-4-12/h3-6,10-
           C2(N[CH](Cc1(ccc(O)cc1))c3(c(C2)cc(O)c(O)c3))
S-NORCOCLAURINE InChI=1/C16H17NO3/c18-12-3-1-10(2-4-12)7-14-13-9-16(20)15(19)8-11(13)5-6-17-14/h1-4,8-9,14,17-
           C1(NC(c2(c(C1)cc(O)c(c2)O))Cc3(cc(O)c(O)cc3))
S-NORLAUDANOSOLINE     InChI=1/C16H17NO4/c18-13-2-1-9(6-14(13)19)5-12-11-8-16(21)15(20)7-10(11)3-4-17-12/h1-2,6-8,12,
           C[CH](C(=O)O)OP(O)(=O)O
S-PHOSPHOLACTATE InChI=1/C3H7O6P/c1-2(3(4)5)9-10(6,7)8/h2H,1H3,(H,4,5)(H2,6,7,8)
           C(=O)(O)[CH](OP(O)(O)=O)CC(=O)O
S-PHOSPHOMALATE InChI=1/C4H7O8P/c5-3(6)1-2(4(7)8)12-13(9,10)11/h2H,1H2,(H,5,6)(H,7,8)(H2,9,10,11)
           CC(C)=CCSCC(N)C(O)=O
S-PRENYL-L-CYSTEINE InChI=1/C8H15NO2S/c1-6(2)3-4-12-5-7(9)8(10)11/h3,7H,4-5,9H2,1-2H3,(H,10,11)
           C2(N(C)[CH](Cc1(ccc(OC)c(O)c1))c3(c(C2)cc(OC)c(O)c3))
S-RETICULINE           InChI=1/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4
           C2(Cc1(c(cc(O)c(c1)OC)[CH]3(Cc4(c(CN23)c(O)c(cc4)OC))))
S-SCOULERINE           InChI=1/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22
           C           InChI=1/C19H17NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11
S-STYLOPINE1(N4([CH](c2(c(C1)cc3(c(c2)OCO3)))Cc5(c(C4)c6(c(cc5)OCO6))))
           C3(N1([CH](Cc2(c(C1)c(OC)c(OC)cc2))c4(c(C3)cc5(c(c4)OCO5))))
S-TETRAHYDROBERBERINE  InChI=1/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(1
           C1(N3([CH](c2(c(C1)cc(c(c2)O)OC))Cc4(c(C3)c(OC)c(OC)cc4)))
S-TETRAHYDROCOLUMBAMINEInChI=1/C20H23NO4/c1-23-18-5-4-12-8-16-14-10-17(22)19(24-2)9-13(14)6-7-21(16)11-15(12)20(18)2
           C1(N(c2(c(C=1)c(N)ncn2))C3(OC(C(O)C3O)CSCCC(N)C(O)=O))
                       InChI=1/C15H21N5O5S/c16-8(15(23)24)2-4-26-5-9-10(21)11(22)14(25-9)20-3-1-7-12(17)18-6-19-13(7
S-TUBERCIDINYLHOMOCYSTEINE
S2O3                   InChI=1/H2O3S2/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
           S([S-1])([O-1])(=O)=O
S2O4                   InChI=1/H2O4S2/c1-5(2)6(3)4/h5-6H/q-4
           [S-1](=O)([O-1])[S-1]([O-1])=O
S4O6                   InChI=1/H6O6S4/c1-9(2,3)7-8-10(4,5)6/h1-6H
           S(S(O)(O)O)SS(O)(O)O
S8         S1(SSSSSSS1)InChI=1/S8/c1-2-4-6-8-7-5-3-1
           C(=O)(O)C(CCC(O)=O)NCCCCC(N)C(=O)O
SACCHAROPINE           InChI=1/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,1
           C(=O)c1(c(O)cccc1)
SALICYLALDEHYDE        InChI=1/C7H6O2/c8-5-6-3-1-2-4-7(6)9/h1-5,9H
           C(NCCC(=O)NCCSC(=O)c1(c(O)cccc1))(=O)C(O)C(C)(C)COP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C2OP(=O)(O)O)n3(c4(c(n
SALICYLOYL-COA         InChI=1/C28H40N7O18P3S/c1-28(2,22(39)25(40)31-8-7-18(37)30-9-10-57-27(41)15-5-3-4-6-16(15)36)
           C2(CC14(C(=CC(=O)C(=C1)OC)[CH](N(C)2)Cc3(ccc(OC)c(O)c34)))
SALUTARIDINE           InChI=1/C19H21NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19
           C2(CC14(C(=C[CH](O)C(=C1)OC)[CH](N(C)2)Cc3(ccc(OC)c(O)c34)))
SALUTARIDINOL          InChI=1/C19H23NO4/c1-20-7-6-19-10-16(24-3)14(21)9-12(19)13(20)8-11-4-5-15(23-2)18(22)17(11)19
SAM                    InChI=1/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)
           C(=O)(N)c1(c(O)cccc1)
           C1(N(C)C4(=C(C2(C=CC3(=C(C1=2)OCO3)))C=CC5(=C4C=C6(C(=C5)OCO6))))
SANGUINARINE           InChI=1/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11
SARCOSINEC(=O)(O)CNC   InChI=1/C3H7NO2/c1-4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
SCOPOLAMINE            InChI=1/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,
           C(O)C(c1(ccccc1))C(=O)OC2(C[CH]3(N(C)[CH](C2)C4(C3O4)))
SCOPOLETIN             InChI=1/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
           C1(=O)(OC2(=C(C=C1)C=C(OC)C(O)=C2))
                       InChI=1/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-
SCOPOLIN C1(C(O)C(O)C(O)C(O1)CO)OC2(=C(OC)C=C3(C(=C2)OC(=O)C=C3))
SE-2       [Se-2]      InChI=1/Se/q-2
           C=C[CH]1(C(OC=C(C(O)=O)[CH]1CC=O)OC2(C(O)C(O)C(O)C(O2)CO))
SECOLOGANATE           InChI=1/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h
           C=C[CH]1(C(OC=C(C(=O)OC)[CH]1CC=O)OC2(C(O)C(O)C(O)C(O2)CO))
SECOLOGANIN-CPD InChI=1/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-1
           C(O)C(=O)C(O)C(O)C(O)C(O)CO
SEDOHEPTULOSE          InChI=1/C7H14O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3,5-10,12-14H,1-2H2
           C(N)C[Se]CC(N)C(O)O
SELENALYSINE           InChI=1/C5H14N2O2Se/c6-1-2-10-3-4(7)5(8)9/h4-5,8-9H,1-3,6-7H2
SELENATE O=[Se](O)(=O)OInChI=1/H2O4Se/c1-5(2,3)4/h(H2,1,2,3,4)
                       InChI=1/H2O3Se/c1-4(2)3/h(H2,1,2,3)/p-2
SELENITE [Se](=O)([O-1])[O-1]
           C([Se])CC(N)C(O)=O
SELENOHOMOCYSTEINE     InChI=1/C4H9NO2Se/c5-3(1-2-8)4(6)7/h3,8H,1-2,5H2,(H,6,7)
           C(N)(=O)NNInChI=1/CH5N3O/c2-1(5)4-3/h3H2,(H3,2,4,5)
SEMICARBAZIDE
SEPO3                  InChI=1/H3O3PSe/c1-4(2,3)5/h(H3,1,2,3,5)
           OP(O)(=[Se])O
SER                    InChI=1/C3H7NO3/c4-2(1-5)3(6)7/h2,5H,1,4H2,(H,6,7)
           C(=O)(O)[CH](N)CO
                       InChI=1/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
SEROTONINc1(c(CCN)c2(c([nH]1)ccc(O)c2))
                       InChI=1/C13H19N6O9P/c14-5(1-20)13(23)28-29(24,25)26-2-6-8(21)9(22)12(27-6)19-4-18-7-10(15)16-
SERYL-AMPC(O)C(N)C(=O)OP(=O)(O)OCC1(OC(C(O)C1O)n2(c3(c(nc2)c(N)ncn3)))
                       InChI=1/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)
SHIKIMATE C(=O)(O)C1(=[CH][CH](O)[CH](O)[CH](O)[CH2]1)
           C(O)(=O)C1(=[CH][CH]([CH](O)[CH]([CH2]1)O)OP(O)(O)=O)
SHIKIMATE-5P           InChI=1/C7H11O8P/c8-4-1-3(7(10)11)2-5(6(4)9)15-16(12,13)14/h2,4-6,8-9H,1H2,(H,10,11)(H2,12,13,1
           C(=O)C=Cc1(cc(OC)c(O)c(c1)OC)
SINAPALDEHYDE          InChI=1/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3
                       InChI=1/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)
SINAPATE C(O)(=O)C=CC1(=CC(OC)=C(O)C(=C1)OC)
           C([CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O)n2(c3(c(nc2)c(N)ncn3))))OP(O)(=O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(=
SINAPOYL-COA           InChI=1/C32H46N7O20P3S/c1-32(2,27(44)30(45)35-8-7-21(40)34-9-10-63-22(41)6-5-17-11-18(53-3)24
           C(=O)(O)C=Cc1(cc(OC)c(c(c1)OC)OC(=O)C(O)CC(O)=O)
SINAPOYL-S-MALATE InChI=1/C15H16O9/c1-22-10-5-8(3-4-12(17)18)6-11(23-2)14(10)24-15(21)9(16)7-13(19)20/h3-6,9,16H
           C(N(C)(C)C)COC(=O)C=CC1(C=C(OC)C(O)=C(C=1)OC)
SINAPOYLCHOLINE        InChI=1/C16H24NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11,19H
           C(=O)(OC(C([O-1])=O)C([O-1])=O)C=Cc1(cc(OC)c(O)c(c1)OC)
SINAPOYLTARTRONATEInChI=1/C14H14O9/c1-21-8-5-7(6-9(22-2)11(8)16)3-4-10(15)23-12(13(17)18)14(19)20/h3-6,12,16H,1-
           C(O)C=Cc1(cc(OC)c(O)c(c1)OC)
SINAPYL-ALCOHOL        InChI=1/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3
SINEFUNGIN             InChI=1/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13
           c12(c(c(N)ncn1)ncn2C3(OC(C(O)C(O)3)CC(N)CCC(N)C(O)=O))
                       InChI=1/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-30-24(6-10-36(53)54)42(2,18-40
SIROHEME C(O)(=O)CC8(C7(=Cc1(n2(c(c(CCC(=O)O)c1CC(=O)O)C=c4(n3([Fe]62(N5(C(=Cc3c(CCC(=O)O)c4CC(=O)O)C(CC(=O)O)
           CC1(CC(O)=O)(C5(N=C(C1CCC(O)=O)C=C2(NC(C(C(C)2CC(O)=O)CCC(O)=O)=CC3(=NC(C(=C3CC(O)=O)CCC(O)=O)=Cc
SIROHYDROCHLORIN InChI=1/C42H46N4O16/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)4
           C([N+1](C)(C)C)COP(=O)(O)OCC(O)CO
                       InChI=1/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1
SN-3-GLYCEROPHOSPHOCHOLINE
           CC(CCC=C(C)C)=CCCC(C)=CCCC(C)=CCOCC(O)COP(O)(=O)O
                       InChI=1/C23H41O6P/c1-19(2)9-6-10-20(3)11-7-12-21(4)13-8-14-22(5)15-16-28-17-23(24)18-29-30(25
SN-GERANYLGERANYLGLYCERYL-1-PHOSPHATE
           C(O)C(O)COP(O)(O)=O
SN-GLYCEROL-1-PHOSPHATEInChI=1/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
           C(OP(O)(=O)O)C(O)CO
SN-GLYCERYL-PHOSPHATE  InChI=1/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
SO3                    InChI=1/H2O3S/c1-4(2)3/h(H2,1,2,3)/p-2
           S([O-1])([O-1])=O
           CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(O)(O)=O
SOLANESYL-PYROPHOSPHATEInChI=1/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-4
           CC(=CCCC(C)=CCCC(C)=CCOP(=O)(O)OP(O)(=O)O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
SOLANYL-PYROPHOSPHATE  InChI=1/C45H76O7P2/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-4
                       InChI=1/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2
SORBITOL C(O)C(O)C(O)C(O)C(O)CO
                       InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2
SORBOSE C(O)C(=O)[CH](O)[CH](O)[CH](O)CO
           C
SPERMIDINE (N)CCCNCCCN InChI=1/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
                       InChI=1/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
SPERMINE C(CCN)NCCCCNCCCN
SPHINGOSINE            InChI=1/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h14-15,17-18,20-21H,
           CCCCCCCCCCCCCC=CC(O)C(N)CO
                       InChI=1/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3
SQUALENE CC(C)=CCCC(C)=CCCC(C)=CCCC=C(C)CCC=C(C)CCC=C(C)C
           C(S(C)C)CC(=O)O
                       InChI=1/C5H11O2S/c1-8(2)4-3-5(6)7/h3-4H2,1-2H3,(H,6,7)
SS-DIMETHYL-BETA-PROPIOTHETIN
           CC16(O[CH](CC(NC)C(OC)1)n2(c5(c(c3(c2cccc3))c4(c(CNC4=O)c7(c5n6c8(c7cccc8))))))
STAUROSPORINE          InChI=1/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(2
           C(O)(=O)CCCCCCCCCCCCCCCCC
STEARIC_ACID           InChI=1/C18H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h2-17H2,1H3,(H,19,20)
           CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n
STEAROYL-COA           InChI=1/C39H70N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(48)67-23-22-41-29(47)
           C           InChI=1/C19H34O2/c1-2-3-4-5-7-10-13-17-16-18(17)14-11-8-6-9-12-15-19(20)21/h2-16H2,1H3,(H,20,
STERCULATE CCCCCCCC1(=C(C1)CCCCCCCC(O)=O)
           C12(C(C=CO1)C3(=C4(C(=C(OC)C=C(O2)3)C(=O)C5(=C(O)C=CC=C(O4)5))))
STERIGMATOCYSTIN InChI=1/C18H12O6/c1-21-11-7-12-13(8-5-6-22-18(8)24-12)17-15(11)16(20)14-9(19)3-2-4-10(14)23-17
           CC12(CCC3(C(C(CCC1)2)CCc4(cc(OS(=O)(O)=O)ccc34)))
STEROID-O-SULFATE InChI=1/C18H24O4S/c1-18-9-2-3-17(18)16-6-4-12-11-13(22-23(19,20)21)5-7-14(12)15(16)8-10-18/h5
           C12(C(CCC1)C3(C(CC2)C4(C(CC3)CCCC4)))
STERONE-RING           InChI=1/C17H28/c1-2-6-14-12(4-1)8-10-17-15-7-3-5-13(15)9-11-16(14)17/h12-17H,1-11H2
                       InChI=1/C8H6O5/c9-5-1-4(8(12)13)2-6(10)7(11)3-5/h1-3,9H,(H,10,11)(H,12,13)
STIPIT-CPD C(=O)(O)c1(cc(O)c(=O)cc(c1)O)
           C1(S(C1)(O)=O)
STRANGE-GROUP          InChI=1/C2H6O2S/c3-5(4)1-2-5/h5H,1-2H2,(H,3,4)
          C1(C(NC)C(O)C(O)C(O1)CO)OC2(C(OC(C)C2(O)C=O)OC3(C(NC(=N)N)C(O)C(NC(=N)N)C(O)C(O)3))
STREPTOMYCIN          InChI=1/C21H39N7O12/c1-5-21(36,4-30)16(40-17-9(26-2)13(34)10(31)6(3-29)38-17)18(37-5)39-15-8(
          C1(N[CH](c2(c(C1)c3(c(n2)cccc3)))C[CH]4([CH](C=C)C(OC=C4C(=O)OC)OC5(C(O)C(O)C(O)C(O5)CO)))
STRICTOSIDINE         InChI=1/C27H34N2O9/c1-3-13-16(10-19-21-15(8-9-28-19)14-6-4-5-7-18(14)29-21)17(25(34)35-2)12-3
          C2(N[CH](C[CH]1(C(C(=O)OC)=COC(O)[CH]1C=C))c3(c(C2)c4(c(n3)cccc4)))
STRICTOSIDINE-AGLYCONEInChI=1/C21H24N2O4/c1-3-12-15(16(20(24)26-2)11-27-21(12)25)10-18-19-14(8-9-22-18)13-6-4-5-7-1
SUC                   InChI=1/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
          C(O)(=O)CCC(=O)O
                      InChI=1/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54
SUC-COA [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
                      InChI=1/C4H6O3/c5-3-1-2-4(6)7/h3H,1-2H2,(H,6,7)
SUCC-S-ALDC(=O)(O)CC[CH]=O
          c1(c(c(N)nc(n1)C)C[n+1]2(c(C)c(sc2)CCOP(=O)(O)OP(O)(=O)OC(O)CCC(=O)O))
                      InChI=1/C16H24N4O10P2S/c1-10-13(33-9-20(10)8-12-7-18-11(2)19-16(12)17)5-6-28-31(24,25)30-32(2
SUCCINATE-SEMIALDEHYDE-THIAMINE-PPI
          C(=O)(O)CCC(=O)C1(C(C(O)=O)C(O)C=CC=1)
                      InChI=1/C11H12O6/c12-7(4-5-9(14)15)6-2-1-3-8(13)10(6)11(16)17/h1-3,8,10,13H,4-5H2,(H,14,15)(H,1
SUCCINYL-OH-CYCLOHEXADIENE-COOH
                      InChI=1/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-2
SUCROSE C(O)C1(OC(CO)C(O)C(O)1)OC2(C(O)C(O)C(O)C(O2)CO)
          C           InChI=1/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21
SUCROSE-6P (O)C1(OC(C(O)C(O)C1O)OC2(CO)(OC(C(O)C2O)COP(O)(O)=O))
                      InChI=1/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
SULFATE O=S([O-1])([O-1])=O
          C(SS(=O)(=O)O)C(N)C(O)=O
SULFO-CYSTEINE        InChI=1/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)
          C(=O)CS(=O)(O)=O
SULFOACETALDEHYDE InChI=1/C2H4O4S/c3-1-2-7(4,5)6/h1H,2H2,(H,4,5,6)
          S(=O)=O InChI=1/O2S/c1-3-2
SULFUR-DIOXIDE
                      InChI=1/C17H16O7/c1-8-4-11(19)15(12(20)5-8)16(21)14-10(17(22)24-3)6-9(18)7-13(14)23-2/h4-7,18-
SULOCHRINCc1(cc(O)c(c(c1)O)C(=O)c2(c(C(=O)OC)cc(O)cc2OC))
          O=[O-1] InChI=1/O2/c1-2/q-1
SUPER-OXIDE
SYRINGETIN            InChI=1/C17H14O8/c1-23-11-3-7(4-12(24-2)14(11)20)17-16(22)15(21)13-9(19)5-8(18)6-10(13)25-17/h
          COc1(cc(cc(c1O)OC)c2(c(O)c(=O)c3(c(o2)cc(O)cc3O)))
          C(=O)C=CCCCCCC
T-2-NONENAL-CMPD InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h7-9H,2-6H2,1H3
          C(OP(=O)(O)OP(O)(=O)O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(
                      InChI=1/C50H84O7P2/c1-41(2)21-12-22-42(3)23-13-24-43(4)25-14-26-44(5)27-15-28-45(6)29-16-30-4
T-POLY-C-DECAPRENYL-DIPHOSPHATE
          C(OP(=O)(O)OP(O)(=O)O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(
                      InChI=1/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-5
T-POLY-C-UNDECAPRENYL-DIPHOSPHATE
          CCCCCC=CC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=
T2-C4-DECADIENYL-COA  InChI=1/C31H50N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(
          CCCCCCCC=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[CH]1(O[CH]([CH](O)[CH]1OP(O)(O)=O
T2-DECENOYL-COA       InChI=1/C31H52N7O17P3S/c1-4-5-6-7-8-9-10-11-22(40)59-15-14-33-21(39)12-13-34-29(43)26(42)31(
          [CH3][CH2]C13([CH2]C(C(=O)O[CH3])=C4(C2([CH2][CH2]N([CH]12)[CH2][CH]=[CH]3)c5(c([NH]4)[cH][cH][cH][cH]5)
TABERSONINE           InChI=1/C21H24N2O2/c1-3-20-9-6-11-23-12-10-21(19(20)23)15-7-4-5-8-16(15)22-17(21)14(13-20)18(
                      InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3,5-9,11-12H,1-2H2
TAGATOSE C(O)C(=O)C(O)C(O)C(O)CO
          C(OP(O)(=O)O)C1(OC(C(O)C(O)1)(O)COP(O)(=O)O)
                      InChI=1/C6H14O12P2/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15/h3-5,7-9H,1-2H2,(H2,1
TAGATOSE-1-6-DIPHOSPHATE
          C(OP(O)(=O)O)C1(C(O)C(O)C(O1)(O)CO)
TAGATOSE-6-PHOSPHATE  InChI=1/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)
                      InChI=1/C4H6O6/c5-1(3(7)8)2(6)4(9)10/h1-2,5-6H,(H,7,8)(H,9,10)
TARTRATE C(=O)(O)[CH](O)[CH](O)C(O)=O
          C(=O)(O)C(O)C=O
TARTRONATE-S-ALD InChI=1/C3H4O4/c4-1-2(5)3(6)7/h1-2,5H,(H,6,7)
                      InChI=1/C2H7NO3S/c3-1-2-7(4,5)6/h1-3H2,(H,4,5,6)
TAURINE C(CN)S(=O)(O)=O
          C(S(=O)(O)=O)CNC(N)=N
TAUROCYAMINE          InChI=1/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)
          C[CH](CCC(=O)NCCS(=O)(O)=O)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2)C4(C)([CH](CC3)CC(O)CC4))))
TAUROLITHOCHOLATE InChI=1/C26H45NO5S/c1-17(4-9-24(29)27-14-15-33(30,31)32)21-7-8-22-20-6-5-18-16-19(28)10-12-25
          CC(CCC(=O)NCCS(=O)(O)=O)[CH]1(C2(C)([CH](CC1)[CH]3([CH](CC2)C4(C)([CH](CC3)CC(CC4)OS(=O)(O)=O))))
                      InChI=1/C26H45NO8S2/c1-17(4-9-24(28)27-14-15-36(29,30)31)21-7-8-22-20-6-5-18-16-19(35-37(32,3
TAUROLITHOCHOLATE-SULFATE
          CC1([CH]2(C(C)(CCC=1)CCC3(C(C)(C)[CH](C2)CCC=3C)))
TAXA-411-DIENE        InChI=1/C20H32/c1-14-7-6-11-20(5)12-10-17-15(2)8-9-16(13-18(14)20)19(17,3)4/h7,16,18H,6,8-13H2
          C=C1(C(OC(=O)C)CCC2(C)([CH]1C[CH]3(C(C)(C)C(CC2)=C(C)CC3)))
                      InChI=1/C22H34O2/c1-14-7-8-17-13-19-15(2)20(24-16(3)23)10-12-22(19,6)11-9-18(14)21(17,4)5/h17
TAXA-42011-DIEN-5-ALPHA-YL-ACETATE
          C=C1(C(O)CCC2(C)([CH]1C[CH]3(C(C)(C)C(CC2)=C(C)CC3)))
TAXA-42011-DIEN-5A-OL InChI=1/C20H32O/c1-13-6-7-15-12-17-14(2)18(21)9-11-20(17,5)10-8-16(13)19(15,3)4/h15,17-18,21H
          C=C1(C(O)CCC2(C)([CH]1C[CH]3(C(C)(C)C(CC2)=C(C)C(C3)O)))
                      InChI=1/C20H32O2/c1-12-15-6-8-20(5)9-7-17(21)13(2)16(20)10-14(11-18(12)22)19(15,3)4/h14,16-18
TAXA-42011-DIEN-5A13A-DIOL
          C=C1(C(OC(=O)C)CCC2(C)([CH]1C(OC(=O)C)[CH]3(C(C)(C)C(C(C2)OC(=O)C)=C(C)CC3OC(=O)C)))
TAXUYUNNANIN-C        InChI=1/C28H40O8/c1-14-12-21(34-17(4)30)25-26(36-19(6)32)24-15(2)20(33-16(3)29)10-11-28(24,9)1
TDP                   InChI=1/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/
          Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(O)(O)=O))
          Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(N)C(O3)C)))
TDP-D-FUCOSAMINE InChI=1/C16H27N3O14P2/c1-6-4-19(16(24)18-14(6)23)10-3-8(20)9(31-10)5-29-34(25,26)33-35(27,28)
          CC(=O)NC1(C(O)C(O)C(OC1C)OP(=O)(O)OP(=O)(O)OCC2(OC(CC2O)n3(c(=O)[nH]c(=O)c(c3)C)))
TDP-FUC4NAC           InChI=1/C18H29N3O15P2/c1-7-5-21(18(27)20-16(7)26)12-4-10(23)11(34-12)6-32-37(28,29)36-38(30,3
          C(O)(=O)c1(ccc(cc1)C(=O)O)
TEREPHTHALATE         InChI=1/C8H6O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H,(H,9,10)(H,11,12)
                      InChI=1/C19H28O4/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2,23)16(14)5-6-17(21)22/h11,14
TESTOLATE CC1(O)([CH](CCC(O)=O)[CH]2([CH](CC1)C3(C)(C(CC2)=CC(=O)CC3)))
          CC14(OC(=O)CC[CH]([CH]2([CH](CC1)C3(C)(C(CC2)=CC(=O)CC3)))4)
TESTOLOLACTONE        InChI=1/C19H26O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h11,14
          CC12(C(=CC(=O)CC1)CCC3(C4(C(CCC23)(C)C(O)CC4)))
TESTOSTERONE          InChI=1/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17
          C24(CC(C1(N=NC12))C3(N(N=NC34)C5(=CC=C(Cl)C=C5)))
TETCYCLACIS           InChI=1/C13H12ClN5/c14-6-1-3-7(4-2-6)19-13-9-5-8(12(13)17-18-19)10-11(9)16-15-10/h1-4,8-13H,5H
          C1(C(C(O)C(C)O)Nc2(c(N1)nc(N)[nH]c(=O)2))
TETRA-H-BIOPTERIN InChI=1/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4
          C(Cl)(Cl)=C(Cl)Cl
TETRACHLOROETHENE InChI=1/C2Cl4/c3-1(4)2(5)6
          C1(=C(Cl)C(O)=C(Cl)C(Cl)=C(O)1)(Cl)
                      InChI=1/C6H2Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
TETRACHLOROHYDROQUINONE
          C(=O)(O)CCCCCCCCCCCCCCCCCCCCCCC
TETRACOSANOATE        InChI=1/C24H48O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h2-23H
          CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n2(c3(c
TETRADECANOYL-COA InChI=1/C35H62N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(
          C1(O)(=Cc2(c(C(=C1)O)c(O)cc(c2)O))
TETRAHYD-CPD          InChI=1/C10H8O4/c11-6-1-5-2-7(12)4-9(14)10(5)8(13)3-6/h1-4,11-14H
          C1(N3([CH](c2(c(C1)cc(OC)c(c2)OC))Cc4(c(C3)c(OC)c(OC)cc4)))
TETRAHYDROPALMATINE   InChI=1/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(1
          C1(CCCS1) InChI=1/C4H8S/c1-2-4-5-3-1/h1-4H2
TETRAHYDROTHIOPHENE
          C1(S(=O)CCC1)
                      InChI=1/C4H8OS/c5-6-3-1-2-4-6/h1-4H2
TETRAHYDROTHIOPHENE-1-OXIDE
          C1(=C2(C(=NC(=N1)O)N=C(O)C(=N2)O))(O)
TETRAHYDROXYPTERIDINE InChI=1/C6H4N4O4/c11-3-1-2(9-6(14)10-3)8-5(13)4(12)7-1/h(H,7,12)(H3,8,9,10,11,13,14)
THF                   InChI=1/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12
          C2([CH](Nc1(c(=O)[nH]c(N)nc1N2))C[NH]c3(ccc(cc3)C(=O)NC(C(O)=O)CCC(O)=O))
                      InChI=1/C5H12N2O2Se/c6-1-2-10-3-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)
THIALYSINEC(N)C[Se]C[CH](N)C(O)=O
                      InChI=1/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,
THIAMINE c1(c(cnc(C)n1)C[n+1]2(c(C)c(sc2)CCO))(N)
          Cc1(nc(N)c(cn1)C[n+1]2(c(C)c(sc2)CC=O))
THIAMINE-ALDEHYDE InChI=1/C12H15N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h4-5,7H,3,6H2,1-2H3,(H2
THIAMINE-P            InChI=1/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4
          c1(c(cnc(n1)C)C[n+1]2(c(C)c(sc2)CCOP(=O)(O)O))(N)
          C(c1(c(N)nc(C)nc1))[n+1]2(c(C)c(sc2)CCOP(O)(=O)OP(O)(=O)O)
THIAMINE-PYROPHOSPHATEInChI=1/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10
          C1(N=C(SC=1)c3(c[nH]c2(ccccc23)))
THIAZOL-YL-INDOLE InChI=1/C11H8N2S/c1-2-4-10-8(3-1)9(7-13-10)11-12-5-6-14-11/h1-7,13H
          c1(c(snn1)NC(=O)Nc2(ccccc2))
THIDIAZURON           InChI=1/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
          C(O)(=O)C(N)CSS
THIOCYSTEINE          InChI=1/C3H7NO2S2/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)
          C(N)=S
THIOFORMAMIDE         InChI=1/CH3NS/c2-1-3/h1H,(H2,2,3)
          C(O)(=O)CS InChI=1/C2H4O2S/c3-2(4)1-5/h5H,1H2,(H,3,4)
THIOGLYCOLATE
          [C-3]S
THIOL-GROUP           InChI=1/CH4S/c1-2/h2H,1H3/q-3
          C1(CNC(CS1)C(=O)O)
                      InChI=1/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)
THIOMORPHOLINE-3-CARBOXYLATE
          [CH3]C([CH3])([CH]([OH])C(=O)[NH][CH2][CH2]C(=O)[NH][CH2][CH2]SC(=O)c1(s[cH][cH][cH]1))[CH2]OP([OH])(=O)O
                      InChI=1/C26H38N7O17P3S2/c1-26(2,20(36)23(37)29-6-5-16(34)28-7-9-55-25(38)15-4-3-8-54-15)11-47
THIOPHENE-2-CARBONYL-COA
THMPT                 InChI=1/C30H45N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9
          C[CH]([CH]1([CH](C)[NH]c2(c([NH]1)c(=O)[nH]c(n2)N)))Nc3(ccc(cc3)CC(O)C(O)C(O)COC4(OC(C(O)C4O)COP(=O)([O-
THR                   InChI=1/C4H9NO3/c1-2(6)3(5)4(7)8/h2-3,6H,5H2,1H3,(H,7,8)
          CC(O)C(N)C(=O)O
          C(=O)(O)C(N)C(O)C(O)=O
                      InChI=1/C4H7NO5/c5-1(3(7)8)2(6)4(9)10/h1-2,6H,5H2,(H,7,8)(H,9,10)
THREO-3-HYDROXY-L-ASPARTATE
                      InChI=1/C4H8O4/c5-1-3(7)4(8)2-6/h1,3-4,6-8H,2H2
THREOSE C(O)C(O)C(O)C=O
          C           InChI=1/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2
THRYROXINE(=O)(O)C(N)Cc1(cc(I)c(c(c1)I)Oc2(cc(I)c(O)c(c2)I))
                      InChI=1/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,1
THYMIDINEC(O)C1(OC(CC(O)1)n2(c(=O)[nH]c(=O)c(C)c2))
                      InChI=1/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
THYMINE c1(c(C)c(=O)[nH]c(=O)[nH]1)
THZ                   InChI=1/C6H9NOS/c1-5-6(2-3-8)9-4-7-5/h4,8H,2-3H2,1H3
          Cc1(c(CCO)scn1)
THZ-P                 InChI=1/C6H10NO4PS/c1-5-6(13-4-7-5)2-3-11-12(8,9)10/h4H,2-3H2,1H3,(H2,8,9,10)
          Cc1(c(scn1)CCOP(O)(=O)O)
                      InChI=1/C26H42N7O17P3S/c1-5-14(2)25(38)54-9-8-28-16(34)6-7-29-23(37)20(36)26(3,4)11-47-53(44,
TIGLYL-COA[CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(=O)(O)O)COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C(=O)NCCC(
TIRON                 InChI=1/C6H6O8S2/c7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14/h1-2,7-8H,(H,9,10,11)(H,12,13,14)/p-2
          c1(c(S(=O)([O-1])=O)cc(S(=O)([O-1])=O)c(O)c1O)
TMP                   InChI=1/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(20-8)4-19-21(16,17)18/h3,6-8,13H,2,4H
          Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(O)(O)=O))
TOLUENE Cc1(ccccc1)InChI=1/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
          CC1(C(O)C(O)C=CC=1)
TOLUENECISDHDIOL InChI=1/C7H10O2/c1-5-3-2-4-6(8)7(5)9/h2-4,6-9H,1H3
          C(=O)(O)C(N)CC1(C(=O)C=C(O)C(C=1)=O)
TOPAQUINONE           InChI=1/C9H9NO5/c10-5(9(14)15)1-4-2-7(12)8(13)3-6(4)11/h2-3,5,13H,1,10H2,(H,14,15)
          C(=O)(O)C=C1(OC(=O)C(=C1)Cl)
                      InChI=1/C6H3ClO4/c7-4-1-3(2-5(8)9)11-6(4)10/h1-2H,(H,8,9)
TRANS-2-CHLORO-4-CARBOXYMETHYLENEBUT-2-E
          CCCC=CC=OInChI=1/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3
TRANS-2-HEXENAL
          CCCC=CCO InChI=1/C6H12O/c1-2-3-4-5-6-7/h4-5,7H,2-3,6H2,1H3
TRANS-2-HEXENOL
          CC(C(O)C(=O)NCCC(=O)NCCSC(=O)C=CCCC(O)=O)(C)COP(O)(=O)OP(O)(=O)OC[CH]1(O[CH]([CH](O)[CH]1OP(=O)(O)
                      InChI=1/C27H42N7O19P3S/c1-27(2,22(40)25(41)30-8-7-16(35)29-9-10-57-18(38)6-4-3-5-17(36)37)12-
TRANS-23-DEHYDROADIPYL-COA
          [CH]3(n1(c2(c(nc1)c(N)ncn2)))(O[CH]([CH]([CH](O)3)OP(O)(=O)O)COP(=O)(O)OP(O)(=O)OCC(C)(C)C(O)C(=O)NCCC(
                      InChI=1/C27H42N7O19P3S/c1-14(8-17(36)37)9-18(38)57-7-6-29-16(35)4-5-30-25(41)22(40)27(2,3)11-
TRANS-3-METHYL-GLUTACONYL-COA
          C(=O)(OC1(C(O)C(O)CC(O)(C1)C(O)=O))C=Cc2(ccc(O)cc2)
                      InChI=1/C16H18O8/c17-10-4-1-9(2-5-10)3-6-13(19)24-12-8-16(23,15(21)22)7-11(18)14(12)20/h1-6,11
TRANS-5-O-4-COUMAROYL-D-QUINATE
          C(=O)(OC1(C(O)C(O)CC(O)(C1)C(O)=O))C=Cc2(cc(O)c(O)cc2)
                      InChI=1/C16H18O9/c17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21/h1-5,
TRANS-5-O-CAFFEOYL-D-QUINATE
          C(O)C1(OC(C(O)C(O)C1O)OC(=O)C=Cc2(ccccc2))
                      InChI=1/C15H18O7/c16-8-10-12(18)13(19)14(20)15(21-10)22-11(17)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,
TRANS-CINNAMOYL-BETA-D-GLUCOSE
          C1(C(O)CCCC1)(O)
                      InChI=1/C6H12O2/c7-5-3-1-2-4-6(5)8/h5-8H,1-4H2
TRANS-CYCLOHEXANE-12-DIOL
          CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C=Cc1(cc(OC)c(O)cc1))COP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2OP(O)(O)=O)n3
TRANS-FERULOYL-COA InChI=1/C31H44N7O19P3S/c1-31(2,26(43)29(44)34-9-8-21(40)33-10-11-61-22(41)7-5-17-4-6-18(39)19
                     InChI=1/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2
TREHALOSEC1(OC(CO)C(O)C(O)C(O)1)OC2(C(O)C(O)C(O)C(O2)CO)
         C1(OC(COP(O)(=O)O)C(O)C(O)C(O)1)(OC2(OC(CO)C(O)C(O)C(O)2))
TREHALOSE-6P         InChI=1/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21
         C(=O)(O)C=C(O)C=C(C)O
TRIACETATE           InChI=1/C6H8O4/c1-4(7)2-5(8)3-6(9)10/h2-3,7-8H,1H3,(H,9,10)
         C1(=O)(C=C(O)C=C(C)O1)
TRIACETATE-LACTONE InChI=1/C6H6O3/c1-4-2-5(7)3-6(8)9-4/h2-3,7H,1H3
         COc1(c(Cl)cc(Cl)cc1Cl)
TRICHLOROANISOLE InChI=1/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
         C(Cl)(Cl)=[CH]Cl
TRICHLOROETHENE InChI=1/C2HCl3/c3-1-2(4)5/h1H
         c1(c(Cl)c(O)c(Cl)cc1Cl)
TRICHLOROPHENOL InChI=1/C6H3Cl3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H
         C=C1(C(CCC1)(C)C2(CCCC(=C2)C)(C))
TRICHODIENE-CPD      InChI=1/C15H24/c1-12-7-5-9-14(3,11-12)15(4)10-6-8-13(15)2/h11H,2,5-10H2,1,3-4H3
         CCN(CC)CC InChI=1/C6H15N/c1-4-7(5-2)6-3/h4-6H2,1-3H3
TRIETHYLAMINE
         C[N+1](C)(C)[O-1]
TRIMENTHLAMINE-N-OInChI=1/C3H9NO/c1-4(2,3)5/h1-3H3
         CN(C)C
TRIMETHYLAMINE       InChI=1/C3H9N/c1-4(2)3/h1-3H3
         C[S+1](C)C InChI=1/C3H9S/c1-4(2)3/h1-3H3/q+1
TRIMETHYLSULFONIUM
         C1(O)(=Cc2(c(C=C1)c(O)cc(c2)O))
TRINAPHTAL-CPD       InChI=1/C10H8O3/c11-7-1-2-9-6(3-7)4-8(12)5-10(9)13/h1-5,11-13H
TRIS                 InChI=1/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2
         C(O)C(N)(CO)CO
                     InChI=1/C9H10O3/c10-6-8(9(11)12)7-4-2-1-3-5-7/h1-5,8,10H,6H2,(H,11,12)
TROPATE C(O)(=O)C(CO)C1(=CC=CC=C1)
                     InChI=1/C8H15NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-8,10H,2-5H2,1H3
TROPINE CN1(C2(CC(O)CC1CC2))
TROPINONE            InChI=1/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3
         CN1(C2(CC(=O)CC1CC2))
TRP                  InChI=1/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
         c1(c(CC(N)C(=O)O)c2(c([nH]1)cccc2))
         C(O)(=O)C(N)CCC(=O)NC(CS)C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O
TRYPANOTHIONE        InChI=1/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30
         C(N)Cc1(c2(c([nH]c1)cccc2))
TRYPTAMINE           InChI=1/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
TTP                  InChI=1/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-
         Cc1(cn(c(=O)[nH]c1=O)C2(OC(C(C2)O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O))
         C2(C(CO)NC(=O)[CH](NC(=O)CC(N)C(O)CCN)CNC(=O)[CH]([CH]1(CC(O)NC(=N)N1))NC(=O)C(=CNC(N)=O)NC(=O)C(N
TUBERACTINOMYCIN-AInChI=1/C25H43N13O11/c26-2-1-15(41)9(27)3-16(42)32-11-5-30-23(48)18(10-4-17(43)37-24(28)36-1
         C2(C(CO)NC(=O)[CH](NC(=O)CC(N)CCCN)CNC(=O)[CH]([CH]1(CCNC(=N)N1))NC(=O)C(=CNC(N)=O)NC(=O)C(N2)CO)(
TUBERACTINOMYCIN-O   InChI=1/C25H43N13O9/c26-4-1-2-11(27)6-17(41)33-13-7-31-23(46)18(12-3-5-30-24(28)37-12)38-20(4
         C([OH])(=O)[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH]([CH3])[CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
TUBERCULOSTEARATE InChI=1/C19H38O2/c1-3-4-5-6-9-12-15-18(2)16-13-10-7-8-11-14-17-19(20)21/h18H,3-17H2,1-2H3,(H,
TUNGSTATE            InChI=1/2H2O.2O.W/h2*1H2;;;/q;;;;+2/p-2
         O=[W](O)(O)=O
                     InChI=1/C47H79NO16/c1-13-34-31(23-59-35-20-26(4)39(53)44(58-12)43(35)57-11)18-24(2)14-15-32(
TYLOSIN CCC2(C(COC1(C(OC)C(OC)C(O)C(C1)C))C=C(C)C=CC(=O)C(C)CC(C[CH]=O)C(C(C)C(O)CC(O2)=O)OC3(C(O)C(N(C)C)C(C
TYR                  InChI=1/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)
         C(O)(=O)C(N)Cc1(ccc(O)cc1)
                     InChI=1/C8H11NO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6,9H2
TYRAMINE C(N)Cc1(ccc(O)cc1)
         CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)C(OC)=C(OC)
UBIQUINOL-10         InChI=1/C59H94O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(
         CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(O)C(OC)=C(OC)C(O)C=1C)
UBIQUINOL-8          InChI=1/C49H78O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(
         CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=C(OC
UBIQUINONE-10        InChI=1/C59H90O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(
         CC(=CCC1(=C(C)C(=O)C(OC)=C(OC)C(=O)1))CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
UBIQUINONE-30        InChI=1/C39H58O4/c1-28(2)16-11-17-29(3)18-12-19-30(4)20-13-21-31(5)22-14-23-32(6)24-15-25-33(
         CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(C(=O)C(OC)=C(OC)C(=O)C=1C)
UBIQUINONE-8         InChI=1/C49H74O4/c1-36(2)20-13-21-37(3)22-14-23-38(4)24-15-25-39(5)26-16-27-40(6)28-17-29-41(
         CC(=CCC1(=C(C)C(=O)C(OC)=C(OC)C(=O)1))CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C
UBIQUINONE-9         InChI=1/C54H82O4/c1-40(2)22-14-23-41(3)24-15-25-42(4)26-16-27-43(5)28-17-29-44(6)30-18-31-45(
UDP                  InChI=1/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h
         c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(O)(O)=O))
         c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(N)CO3)))
                     InChI=1/C14H23N3O15P2/c15-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12
UDP-4-AMINO-4-DEOXY-L-ARABINOSE
         CC(=O)NC1(C(OC(CO)C(O)C1OC(C)C(=O)NC(C)C(=O)NC(C(O)=O)CCC(O)=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)
UDP-AA-GLUTAMATE InChI=1/C28H43N5O23P2/c1-10(23(42)31-13(26(44)45)4-5-17(37)38)29-24(43)11(2)52-22-18(30-12(3
         CC(=O)NC1(C(OC(C)C(=O)NC(C)C(=O)NC(C(O)=O)CCC(=O)NC(C(O)=O)CCCC(N)C(O)=O)C(O)C(CO)OC1OP(=O)(O)OP(
                     InChI=1/C35H55N7O26P2/c1-13(28(50)40-18(33(56)57)7-8-21(45)39-17(32(54)55)6-4-5-16(36)31(52)
UDP-AAGM-DIAMINOHEPTANEDIOATE
         C=C(C(O)=O)OC1(C(NC(=O)C)C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
                     InChI=1/C20H29N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-
UDP-ACETYL-CARBOXYVINYL-GLUCOSAMINE
         CC(=O)NC1(C(OC(C(C1O)OS(=O)(O)=O)COS(=O)(O)=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)c
                     InChI=1/C17H27N3O23P2S2/c1-6(21)18-10-12(24)14(42-47(34,35)36)8(5-38-46(31,32)33)40-16(10)41
UDP-ACETYL-ETCETERA-BISSULFATE
         CC(=O)NC1(C(OC(CO)C(O)C1OC(C)C(=O)NC(C)C(O)=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc
                     InChI=1/C23H36N4O20P2/c1-8(21(35)36)24-19(34)9(2)43-18-14(25-10(3)29)22(45-11(6-28)16(18)32)
UDP-ACETYLMURAMOYL-ALA
         c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)(CO3)CO)))
UDP-APIOSE           InChI=1/C14H22N2O16P2/c17-4-14(23)5-28-12(10(14)21)31-34(26,27)32-33(24,25)29-3-6-8(19)9(20)1
         c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(O[CH](C(O)C3O)C(O)CO)))
                     InChI=1/C15H24N2O17P2/c18-3-5(19)12-9(22)11(24)14(32-12)33-36(28,29)34-35(26,27)30-4-6-8(21)1
UDP-D-GALACTO-14-FURANOSE
         c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)C(O)=O)))
UDP-D-GALACTURONATE  InChI=1/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)
         c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)CO3)))
UDP-D-XYLOSE         InChI=1/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12
         c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(=O)CO))
UDP-D-XYLULOSE       InChI=1/C14H22N2O16P2/c17-3-6(18)10(21)7(19)4-29-33(25,26)32-34(27,28)30-5-8-11(22)12(23)13(3
         c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)C(O3)CO)))
UDP-GLACTOSE         InChI=1/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11
          C1(C(O)C(O)C(O)C(O1)CO)OP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(c(=O)[nH]c(=O)cc3))
UDP-GLUCOSE          InChI=1/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11
          C1(C(O)C(O)C(O)C(O1)C(=O)O)OP(O)(=O)OP(=O)(O)OCC2(OC(C(O)C(O)2)n3(c(=O)[nH]c(=O)cc3))
UDP-GLUCURONATE InChI=1/C15H22N2O18P2/c18-5-1-2-17(15(26)16-5)12-9(22)6(19)4(32-12)3-31-36(27,28)35-37(29,30)
          c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(CO3)NC=O)))
UDP-L-ARA4-FORMYL-N  InChI=1/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11
          c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(C(O)C(O)C(O)CO3)))
UDP-L-ARABINOSE      InChI=1/C14H22N2O16P2/c17-5-3-28-13(11(22)8(5)19)31-34(26,27)32-33(24,25)29-4-6-9(20)10(21)12
          CC1(OC(C(O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-L-RHAMNOSE       InChI=1/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22
UDP-MANNAC           InChI=1/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5
          CC(=O)NC1(C(OC(CO)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
          CC(=O)NC1(C(OC(C(O)=O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-MANNACA          InChI=1/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)3
          CC(=O)NC1(C(OC(C)C(=O)NC(C)C(=O)NC(C(O)=O)CCC(=O)NC(C(=O)NC(C)C(O)=O)CCCC(N)C(O)=O)C(O)C(CO)OC1OP
                     InChI=1/C38H60N8O27P2/c1-14(30(54)44-20(36(61)62)8-9-23(49)43-19(7-5-6-18(39)35(59)60)32(56)
UDP-MURNAC-TETRAPEPTIDE
          CC(=O)NC1(C(OC(C(O)=O)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
                     InChI=1/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)3
UDP-N-ACETYL-2-AMINO-D-GLUCURONATE
          CC(=O)NC1(C(OC(CO)C(C1O)OS(=O)(O)=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
                     InChI=1/C17H27N3O20P2S/c1-6(22)18-10-12(25)14(39-43(32,33)34)7(4-21)37-16(10)38-42(30,31)40-
UDP-N-ACETYL-D-GALACTOSAMINE-4-SULFATE
          C(C1(OC(C(O)C(O)1)n2(c(=O)[nH]c(=O)cc2)))OP(O)(=O)OP(O)(=O)OC3(C(NC(=O)C)C(O)C(O)C(O3)CO)
                     InChI=1/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5
UDP-N-ACETYL-D-GLUCOSAMINE
          CC(=O)NC1(C(OC(CO)C(O)C1O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
                     InChI=1/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5
UDP-N-ACETYL-GALACTOSAMINE
          CC(=O)NC1(C(OC(CO)C(O)C1OC(C)C(O)=O)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-N-ACETYLMURAMATE InChI=1/C20H31N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-
          CC(=O)NC1(C(OC(C)C(=O)NC(C)C(=O)NC(CCC(=O)NC(C)C(O)=O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(C)C(O)=O)C(O
                     InChI=1/C43H70N10O27P2/c1-17(34(61)48-20(4)41(68)69)47-37(64)23(9-7-8-13-44)51-38(65)24(10-1
UDP-N-ACETYLMURAMOYL-L-ALANYL-D-GLUTAMYL
          CCCCCCCCCCCC(O)CC(=O)OC1(C(NC(=O)C)C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O
                     InChI=1/C31H53N3O19P2/c1-3-4-5-6-7-8-9-10-11-12-19(37)15-23(39)51-28-24(32-18(2)36)30(50-20(1
UDP-OHMYR-ACETYLGLUCOSAMINE
          CCCCCCCCCCCC(O)CC(=O)OC1(C(N)C(OC(C1O)CO)OP(=O)(O)OP(=O)(O)OCC2(OC(C(O)C2O)n3(c(=O)[nH]c(=O)cc3)))
UDP-OHMYR-GLUCOSAMINEInChI=1/C29H51N3O18P2/c1-2-3-4-5-6-7-8-9-10-11-17(34)14-21(36)48-26-22(30)28(47-18(15-33)24(2
          c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OC3(OC(CS(=O)(O)=O)C(O)C(O)C3O)))
UDP-SULFOQUINOVOSE   InChI=1/C15H24N2O19P2S/c18-7-1-2-17(15(24)16-7)13-11(22)8(19)5(33-13)3-32-37(25,26)36-38(27,2
UMP                  InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14
          c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(O)(O)=O))
          C(OP(O)(=O)OP(O)(=O)O)C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(
                     InChI=1/C55H92O7P2/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-5
UNDECAPRENYL-DIPHOSPHATE
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(O)(=O)O
UNDECAPRENYL-P       InChI=1/C55H91O4P/c1-45(2)23-13-24-46(3)25-14-26-47(4)27-15-28-48(5)29-16-30-49(6)31-17-32-50
          CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCOP(=O)(O)O
                     InChI=1/C61H100NO8P/c1-47(2)23-13-24-48(3)25-14-26-49(4)27-15-28-50(5)29-16-30-51(6)31-17-32
UNDECAPRENYL-PHOSPHATE-L-ARA4-FORMYL-N
URACIL               InChI=1/C4H4N2O2/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)
          c1(=O)(cc[nH]c([nH]1)=O)
URATE                InChI=1/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)/p-1
          c2(=O)([nH]c([O-1])nc1([nH]c(=O)[nH]c12))
          [CH]1([CH](O)[CH](O)[CH](O1)CO)n3(c(=O)[nH]c2(c(=O)[nH]c(=O)[nH]c23))
                     InChI=1/C10H14N4O7/c15-1-2-4(16)5(17)8(21-2)14-6-3(11-10(14)20)7(18)13-9(19)12-6/h2-6,8,15-17H
URATE-3-RIBONUCLEOSIDE
UREA      C(N)(N)=O InChI=1/CH4N2O/c2-1(3)4/h(H4,2,3,4)
          C(O)(=O)C(O)NC(=O)N
UREIDO-GLYCOLLATE InChI=1/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)
URETHAN C(C)OC(N)=O  InChI=1/C3H7NO2/c1-2-6-3(4)5/h2H2,1H3,(H2,4,5)
                     InChI=1/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,
URIDINE c1(n(c(=O)[nH]c(c1)=O)C2(C(O)C(O)C(O2)CO))
          c          InChI=1/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)
UROCANATE1(c(nc[nH]1)C=CC(=O)O)
          CC12(C(CCC(C(=O)CO)(O)1)C3(C(C(C2)O)C4(C)(C(CC3)CC(O)CC4)))
UROCORTISOL          InChI=1/C21H34O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(1
          CC12(C(CC(O)CC1)CCC3(C4(C(CC(=O)C23)(C)C(CC4)(O)C(=O)CO)))
UROCORTISONE         InChI=1/C21H32O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(1
          C(=O)(O)CCc4(c3(Cc1(nc(c(CC(O)=O)c1CCC(=O)O)Cc2(nc(c(CC(=O)O)c2CCC(O)=O)Cc5(nc(Cc(n3)c4CC(=O)O)c(CC(O)
UROPORPHYRINOGEN-III InChI=1/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)3
          C(O)(=O)Cc1(c4(nc(c1CCC(O)=O)=CC2(=NC(C(CCC(O)=O)=C2CC(=O)O)=Cc3(nc(c(c3CC(=O)O)CCC(=O)O)C=C5(C(CC(O
UROPORPHYRIN_I       InChI=1/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)3
          C(O)(=O)Cc1(c5(nc(c1CCC(O)=O)C=C2(N=C(C(=C2CC(O)=O)CCC(=O)O)C=c3(nc(c(CC(=O)O)c3CCC(O)=O)=CC4(C(CC(=
UROPORPHYRIN_III InChI=1/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)3
          C(=O)(O)Cc1(c5([nH]c(c1CCC(=O)O)Cc2([nH]c(c(c2CC(O)=O)CCC(O)=O)Cc3([nH]c(c(c3CC(O)=O)CCC(O)=O)Cc4(c(CC
UROPORYRINOGEN_I InChI=1/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-26-19(3-7-35(49)50)23(11-39(57)58)3
          C(=O)(O)CCc5(c4(Cc1([nH]c(c(CCC(=O)O)c1CC(=O)O)Cc2([nH]c(c(c2CC(O)=O)CCC(=O)O)Cc3([nH]c(c(CC(O)=O)c3CC
UROPORYRINOGEN_III InChI=1/C40H44N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)3
UTP                  InChI=1/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-2
          c1(n(c(=O)[nH]c(c1)=O)C2(OC(C(O)C2O)COP(=O)(O)OP(=O)(O)OP(O)(O)=O))
VAL                  InChI=1/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)
          CC(C)C(N)C(=O)O
VALERATE C(=O)(O)CCCCInChI=1/C5H10O2/c1-2-3-4-5(6)7/h2-4H2,1H3,(H,6,7)
          C(O)C1(=CC(C(O)C(O)C(O)1)NC2(CC(CO)C(C(O)C(O)2)OC3(C(O)C(O)C(O)C(O3)CO)))
VALIDAMYCIN          InChI=1/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32
          C(O)C1(=CC(C(O)C(O)C(O)1)NC2(CC(CO)C(C(O)C(O)2)OC3(C(O)C(O)C(O)C(O3)CO)))
VALIDAMYCIN-A        InChI=1/C20H35NO13/c22-3-6-1-8(12(26)15(29)11(6)25)21-9-2-7(4-23)19(17(31)13(9)27)34-20-18(32
          C(O)C1(=CC(C(O)C(O)C1O)NC2(C(O)C(O)C(O)C(C2)CO))
VALIDOXYLAMINE-A InChI=1/C14H25NO8/c16-3-5-1-7(11(20)13(22)9(5)18)15-8-2-6(4-17)10(19)14(23)12(8)21/h1,6-23H,2
                     InChI=1/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11)
VANILLATE C(=O)(O)c1(cc(OC)c(O)cc1)
                     InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
VANILLIN C(=O)C1(C=C(OC)C(O)=CC=1)
          C(O)C1(C=C(OC)C(O)=CC=1)
VANILLYL-ALCOHOL InChI=1/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3
          C(=O)(O)C(O)c1(cc(OC)c(O)cc1)
VANILLYL_MANDELATEInChI=1/C9H10O5/c1-14-7-4-5(2-3-6(7)10)8(11)9(12)13/h2-4,8,10-11H,1H3,(H,12,13)
          CC=C1(C2([CH](C=O)[CH]3(N(C1)[CH](C2)c4(c(C3)c5(c(n4)cccc5)))))
VELLOSIMINE          InChI=1/C19H20N2O/c1-2-11-9-21-17-8-14-12-5-3-4-6-16(12)20-19(14)18(21)7-13(11)15(17)10-22/h2
            C(=O)c1(cc(OC)c(OC)cc1)
VERATRALDEHYDE         InChI=1/C9H10O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-6H,1-2H3
                       InChI=1/C16H14O5/c1-20-10-3-5-11(14(18)7-10)13-8-21-15-6-9(17)2-4-12(15)16(13)19/h2-7,13,17-18
VESTITONE C2(C(c1(c(O)cc(cc1)OC))C(=O)c3(c(O2)cc(O)cc3))
                       InChI=1/C11H20O10/c12-3-1-19-11(9(17)5(3)13)20-2-4-6(14)7(15)8(16)10(18)21-4/h3-18H,1-2H2
VICIANOSE C1(OC(C(O)C(O)C1O)OCC2(C(O)C(O)C(O)C(O2)O))
VIGABATRIN             InChI=1/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/p+1
            C=CC([N+1])CCC(O)=O
                       InChI=1/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25
VINDOLINE CCC13(C(OC(=O)C)C(O)(C(=O)OC)[CH]4(C2(CCN([CH]12)CC=C3)c5(c(N4C)cc(OC)cc5)))
                       InChI=1/C21H22N2O2/c1-3-12-10-23-16-8-13(12)18-17(23)9-21(20(18)25-11(2)24)14-6-4-5-7-15(14)2
VINORINE CC=C2(C1(C3(C(OC(C)=O)C45(C([CH](C1)N(C2)[CH]3C4)=Nc6(c5cccc6)))))
            C(=O)(O)CC=C
VINYL-ACETATE          InChI=1/C4H6O2/c1-2-3-4(5)6/h2H,1,3H2,(H,5,6)
            [CH2]=[CH]Cl
VINYL-CHLORIDE         InChI=1/C2H3Cl/c1-2-3/h2H,1H2
                       InChI=1/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)2
VIOLACEIN C1(C(c2(c(N1)cccc2))=C3(C=C(NC(=O)3)c4(c[nH]c5(c4cc(O)cc5))))(=O)
                       InChI=1/C25H43N13O10/c26-3-1-2-10(27)4-16(41)32-12-6-30-23(47)18(11-5-17(42)37-24(28)36-11)3
VIOMYCIN C2(C(CO)NC(=O)[CH](NC(=O)CC(N)CCCN)CNC(=O)[CH]([CH]1(CC(O)NC(=N)N1))NC(=O)C(=CNC(N)=O)NC(=O)C(N2)C
VIOMYCIN-P             InChI=1/C25H44N13O13P/c26-4-2-1-3-10(27)18(41)32-12-6-30-23(46)17(11-5-16(40)37-24(28)36-11)
            C1(=O)(NC[CH](NC(=O)C(N)CCCCN)C(=O)NC(COP(O)(O)=O)C(=O)NC(CO)C(=O)NC(=CNC(=O)N)C(=O)N[CH]1[CH]2(N
            CC(C=CC(C)C(C)C)C1(C2(C(CC1)C(CCC2)=CC=C3(C(=C)CCC(O)C3))(C))
VITAMIN_D_{2}          InChI=1/C28H44O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-1
            CC12(C(CCC(C(C)C=CCC(C)C)1)C(CCC2)=CC=C3(C(=C)CCC(O)C3))
VITAMIN_D_{3}          InChI=1/C27H42O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-2
                       InChI=1/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24
VITAMIN_ECc2(c(O)c(C)c1(CCC(Oc1c(C)2)(C)CCCC(C)CCCC(C)CCCC(C)C))
            CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1(=C(C)C(=O)c2(c(C(=O)1)cccc2))
VITAMIN_K_{2}          InChI=1/C51H72O2/c1-38(2)20-13-21-39(3)22-14-23-40(4)24-15-25-41(5)26-16-27-42(6)28-17-29-43(
                       InChI=1/C21H20O10/c22-7-14-17(27)18(28)19(29)21(31-14)16-11(25)5-10(24)15-12(26)6-13(30-20(15
VITEXIN C(O)C1(OC(C(O)C(O)C(O)1)c4(c3(oc(c2(ccc(O)cc2))cc(=O)c3c(O)cc(O)4)))
            C(O)C1(OC(C(C(O)C(O)1)OC2(C(O)C(O)C(O)C(C)O2))c5(c4(oc(c3(ccc(O)cc3))cc(=O)c4c(O)cc(O)5)))
                       InChI=1/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)
VITEXIN-2-O-B-L-RHAMNOSIDE
            C(O)C1(OC(C(C(O)C(O)1)OC2(OC(CO)C(O)C(O)C(O)2))c5(c4(oc(c3(ccc(O)cc3))cc(=O)c4c(O)cc(O)5)))
                       InChI=1/C27H30O15/c28-7-15-20(35)22(37)26(42-27-23(38)21(36)19(34)16(8-29)41-27)25(40-15)18-1
VITEXIN-2-O-BETA-D-GLUCOSIDE
VOMILENINE             InChI=1/C21H22N2O3/c1-3-11-12-8-15-18-21(13-6-4-5-7-14(13)22-18)9-16(23(15)20(11)25)17(12)19(
            CC=C2(C1(C3(C(OC(C)=O)C45(C([CH](C1)N(C(O)2)[CH]3C4)=Nc6(c5cccc6)))))
W+6         [W+6]      InChI=1/W/q+6
WATER       [OH2]      InChI=1/H2O/h1H2
            P([O-1])(O)=O
X-PHOSPHATE-GROUP InChI=1/H3O3P/c1-4(2)3/h4H,(H2,1,2,3)/p-1
            [O-1]P(=O)OP(=O)[O-1]
X-PYROPHOSPHATE-GROUP  InChI=1/H4O5P2/c1-6(2)5-7(3)4/h6-7H,(H,1,2)(H,3,4)/p-2
XANTHATE CCOC([S-1])=S InChI=1/C3H6OS2/c1-2-4-3(5)6/h2H2,1H3,(H,5,6)/p-1
                       InChI=1/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
XANTHINE c12(c([nH]cn1)c(=O)[nH]c(=O)[nH]2)
            C1(C2(=C(NC(=O)N1)N=C(N2)C(O)=O))(=O)
XANTHINE-8-CARBOXYLATE InChI=1/C6H4N4O4/c11-4-1-2(9-6(14)10-4)8-3(7-1)5(12)13/h(H,12,13)(H3,7,8,9,10,11,14)
XANTHOAPHIN            InChI=1/C30H26O10/c1-7-13-21-19-17-15(25(13)33)11(31)5-30(36)24(17)20-18-16(26(34)14-8(2)38-1
            CC1(c5(c4([CH](C(O1)C)OC9(O)(c3(c8(c2(c7([CH](OC6(O)(c2c(c34)c(c5O)C(C6)=O))C(C)OC(C)c7c(O)c8C(C9)=O)))))))
XANTHOMMATIN           InChI=1/C20H13N3O8/c21-8(19(27)28)4-10(24)7-2-1-3-13-16(7)23-18-14(31-13)6-12(26)17-15(18)11(
            C(O)(=O)C1(N=C2(C(=C(O)C=1)C3(C(=CC2=O)OC4(C(N=3)=C(C=CC=4)C(=O)CC(N)C(=O)O))))
XANTHOSINE             InChI=1/C10H12N4O6/c15-1-3-5(16)6(17)9(20-3)14-2-11-4-7(14)12-10(19)13-8(4)18/h2-3,5-6,9,15-17
            c1(c2(c([nH]c([nH]1)=O)n(cn2)[CH]3([CH](O)[CH](O)[CH](O3)CO)))(=O)
            C(OP(O)(O)=O)[CH]1(O[CH]([CH](O)[CH]1O)n2(c3(c(nc2)c(=O)[nH]c([nH]3)=O)))
XANTHOSINE-5-PHOSPHATE InChI=1/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2
XANTHOTOXOL            InChI=1/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,13H
            C1(=O)(OC2(C(C=C1)=CC3(=C(C(O)=2)OC=C3)))
XANTHURENATE           InChI=1/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
            C(=O)(O)c1(nc2(c(c(c1)O)C=CC=C(O)2))
XTP                    InChI=1/C10H15N4O15P3/c15-5-3(1-26-31(22,23)29-32(24,25)28-30(19,20)21)27-9(6(5)16)14-2-11-4-
            C(OP(=O)(O)OP(=O)(O)OP(O)(O)=O)C1(OC(C(O)C1O)n2(c3(c(nc2)c(=O)[nH]c([nH]3)=O)))
                       InChI=1/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2
XYLITOL C(O)C(O)C(O)C(O)CO
XYLOSE                 InChI=1/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2
            C1(C(O)C(O)C(O)C(O1)O)
            C(O)C(=O)C(O)C(O)COP(O)(=O)O
XYLULOSE-5-PHOSPHATE   InChI=1/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)
            CCC=CCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1(OC(C(O)C1OP(O)(O)=O)n2(c3
Z-11-TETRADECENOYL-COA InChI=1/C35H60N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-26(44)63-19-18-37-25(43)16-17-38-33(
            c1(oc(cc1)C(C(=O)N)=Cc2(oc([N+1](O)=O)cc2))
                       InChI=1/C11H8N2O5/c12-11(14)8(9-2-1-5-17-9)6-7-3-4-10(18-7)13(15)16/h1-6H,(H2-,12,14,15,16)/p+
Z-2-2-FURYL-3-5-NITRO-2-FURYLACRYL
            C=C(C(C)C)CC=C(C)C=O
                       InChI=1/C10H16O/c1-8(2)10(4)6-5-9(3)7-11/h5,7-8H,4,6H2,1-3H3
Z-2-METHYL-5-ISOPROPYLHEXA-25-DIENAL
ZN+2        [Zn+2]     InChI=1/Zn/q+2
ZNCL2       Cl[Zn]Cl   InChI=1/2ClH.Zn/h2*1H;/q;;+2/p-2
ZOLEDRONATE            InChI=1/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12
            c1(cn(cn1)CC(O)(P(O)(O)=O)P(O)(O)=O)
ZYMOSTEROL             InChI=1/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-2
            CC(C)=CCCC(C)C1(C2(C)(C(CC1)C3(=C(CC2)C4(C)(C(CC3)CC(O)CC4))))
            C(OP(=O)(O)O)C(O)C(O)C(=O)COP(O)(O)=O
d-ribulose-1,5-p_{2} InChI=1/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H
            C(OP(=O)(O)O)C(=O)C(O)C(O)C(O)C(O)COP(O)(=O)O
                       InChI=1/C7H16O13P2/c8-3(1-19-21(13,14)15)5(10)7(12)6(11)4(9)2-20-22(16,17)18/h3,5-8,10-12H,1-2
d-sedoheptulose-1,7-p_{2}
            C(=O)(O)C1(CCCCN=1)
                       InChI=1/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h1-4H2,(H,8,9)
delta(1)-piperideine-2-carboxylate
            C1(NC(C(O)=O)=CC1)
                       InChI=1/C5H7NO2/c7-5(8)4-2-1-3-6-4/h2,6H,1,3H2,(H,7,8)
delta(1)-pyrroline_2-carboxylate
             CC(=C)CCOP(O)(=O)OP(O)(=O)O
delta(3)-isopentenyl-pp InChI=1/C5H12O7P2/c1-5(2)3-4-11-14(9,10)12-13(6,7)8/h1,3-4H2,2H3,(H,9,10)(H2,6,7,8)
             C(O)(=O)C1(N=CCCC1)
                        InChI=1/C6H9NO2/c8-6(9)5-3-1-2-4-7-5/h4-5H,1-3H2,(H,8,9)
delta(6)-piperideine-2-carboxylate
             CC(C)C(=C)C=CC(C)C1(C2(C)(C(CC1)C3(C(CC2)C4(C)(C(=CC=3)CC(O)CC4))))
                        InChI=1/C28H42O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-1
ergosta-5,7,22,23-(28)-tetraen-3-beta-ol
             C1(C(OP(O)([O-1])=O)C(OP(O)([O-1])=O)C(O)C(C(O)1)OP(O)([O-1])=O)(O)
                        InChI=1/C6H15O15P3/c7-1-2(8)5(20-23(13,14)15)6(21-24(16,17)18)3(9)4(1)19-22(10,11)12/h1-9H,(H2
inositol_1,4,5-trisphosphate
             C1(=NC(C(O)=O)CC1)
                        InChI=1/C5H7NO2/c7-5(8)4-2-1-3-6-4/h3-4H,1-2H2,(H,7,8)
l-delta(1)-pyrroline_5-carboxylate
             C(O)(=O)C(N)CCCC(C(=O)O)NC(=O)CCC(=O)O
                        InChI=1/C11H18N2O7/c12-6(10(17)18)2-1-3-7(11(19)20)13-8(14)4-5-9(15)16/h6-7H,1-5,12H2,(H,13,1
n-succinylll-2,6-diaminopimelate
             C(=O)(O)CC(C(=O)O)C(O)C(O)=O
threo-d(s)-iso-citrate InChI=1/C6H8O7/c7-3(8)1-2(5(10)11)4(9)6(12)13/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13)
undecaprenyl            InChI=1/C55H90/c1-14-46(4)26-16-28-48(6)30-18-32-50(8)34-20-36-52(10)38-22-40-54(12)42-24-44-5
             CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC
             InChI=1/C11H6O4/c12-8-2-1-6-5-7-3-4-14-10(7)9(13)11(6)15-8/h1-5,
2(C(C=C1)=CC3(=C(C(O)=2)OC=C3)))
,10,14,16H,8H2,1-4H3
,16H,8H2,1-4H3
2-20(17,18)5/h8,13-14,17-18H,6-7,9-12H2,1-5H3




 17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)


 -36(40)45-38(47-48(42,43)44-35-34-39(3,4)5)46-37(41)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h38H,6-35H2,1-5H3
 -34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-2

h1-6,14-15H,7H2




1-10)3-20-22(17,18)19/h2,4,6,8-10,15-16H,1,3H2,(H,13,14)(H2,17,18,19)/p+1




8,9)(H,10,11)(H,12,13)


-7,9-12H,2H2,1H3,(H2,13,14,15)


5-10-13(16(11)24)15(23)9-4-2-1-3-8(9)14(10)22/h1-6,12,17-21,24-27H,7H2


9)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2

11H,(H2,12,13,14)/p-1
8-29-31(24,25)26)30-17-11(8-20)14(21)15(22)16(23)28-17/h2-5,7,11,14-17,20-23H,6,8H2,1H3,(H,24,25,26)
H,8-10H2,1H3




 7(18)5(2-17)20-11/h3-5,7-8,11-12,17-19H,2H2,1H3
1-5(15)8(17)6(16)2-4/h1-2,7,9-11,13-20H,3H2
7-16(23)15(22)14(21)11(7-18)26-17/h3-6,11,14-18,20-23H,7H2,1-2H3
)7-6-9-4-2-1-3-5-9/h1-7,10,12-16,18-20H,8H2
)16(28)17(29)20(33-12)34-19(31)7-3-10(23)14(26)11(24)4-7/h1-4,12,15-17,20-29H,5H2
5-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)
7-15(23)14(22)13(21)11(7-18)26-17/h3-6,11,13-15,17-18,21-23H,7H2,1-2H3,(H,19,20)
 (17,6)12-18(24)20(13)21(16,4)5/h16-19,24H,2,7-12H2,1,3-6H3
14(9)19(22,3)4)12(25)6-13-21(16,8-30-13)31-10(2)23/h11-13,15-16,18,24-26,28-29H,6-8H2,1-5H3
 10-16)22-27(5,23(34)21(33)20(14)26(29,3)4)18(32)11-19-28(22,13-37-19)39-15(2)30/h6-10,17-19,21-22,24,31-33,36H,11-13H2,1-5H3
14)18(21)7-13(11)15(17)10-22/h2-6,13,15,17-18,20,22H,7-10H2,1H3
4(2)19(31-15(3)27)9-10-26(22,8)12-18(30)21(13)25(23,6)7/h18-20,22-24,30H,2,9-12H2,1,3-8H3
 8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,11,13,23H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32

1-3-2-10-4-15-16(24-8-23-15)5-12(10)19(11)21/h2-6,22H,7-9H2,1H3


2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3
24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3
 3(25)12-15(14)23(2)17(21)22(28,18(20)26)19(27)29-3/h5-8,12,16-18,25-26,28H,4,9-11H2,1-3H3
6/h1-7,11,14,16H




)3(15)6(9(18)19)23-11(8)22/h1-8,11-17,22H,(H,18,19)(H,20,21)
41-27-26(35)25(34)20(13-29)40-28(27)42-22(31)8-6-15-11-18(38-3)24(33)19(12-15)39-4/h5-12,20,25-29,32-35H,13H2,1-4H3
3-6-8-16(23-2)18(10-13)25-4/h12-21H,5-11H2,1-4H3
6(10-12)20-2/h3-10,17-18H,1-2H3
0)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11H,6-8H2,1-3H3,(H-,21,22)/p+1
 -10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,10,15,25,27,31-32H,7H2,1-3H3,(H2,23,30)


8-23(26)18-16-14-12-10-8-6-4-2/h21,24H,3-20H2,1-2H3
14(8)17/h5,7-8,10,12-13,16H,4,6H2,1-3H3
8)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h3-7,12,15-20,22,25H,8-9H2,1-2H3


 12-3-14(23)10-4-15-16(26-8-25-15)5-11(10)20(12)22/h3-6,23H,7-9H2,1-2H3
,1-6,8,10H2,(H,14,15)
,1-4,6,8-10H2,(H,14,15)
,1-6,8,10H2,(H,14,15)

-33(64-37(58)13-3-19(44)29(53)20(45)4-13)34(65-38(59)14-5-21(46)30(54)22(47)6-14)35(66-39(60)15-7-23(48)31(55)24(49)8-15)41(63-2

27(47)28(54-31(49)11-3-16(37)24(44)17(38)4-11)29(55-32(50)12-5-18(39)25(45)19(40)6-12)34(53-22)56-33(51)13-7-20(41)26(46)21(42)8

 21)10-16)12-22-17(14)5-4-6-19(22)23/h3,14-18H,4-12H2,1-2H3

7-12(13)17/h2-7,16-17H,1H3
 16-18(19)20/h7,9,12,15,17,21H,2-6,8,10-11,13-14,16H2,1H3,(H,19,20)
 41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15,32,40H,1-2,10-11
 10)2-1-3-15(17)19/h10-14,18H,1-9H2
 41)42)30(38-25)15-31-35(32(40)16-34(43)44-7)20(6)27(39-31)14-29-22(9-2)18(4)26(37-29)13-28(21)36-24;/h8-9,12-15H,1-2,10-11,16H2
3)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)
13-9-16-22(21,4)5/h6-8,10-12,14-15,17H,9,13,16H2,1-5H3


12-13H,2H2,1H3,(H,9,11)




 15-18-20(22)23/h4-5,8-11,14,17H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)
10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,14-15,26,35H,1-2,9-13H2,3-6H3,(H
(14,2)19(16)9-11-21(17,18)3/h6,12,16,18-19H,4-5,7-11H2,1-3H3
8-20(13,2)16(15)7-9-21(17,19)3/h10,15-19,24H,4-9,11H2,1-3H3
-13(20)5-8-19(12,16)2/h12-17,20-21H,3-11H2,1-2H3
-13(20)5-8-19(12,16)2/h12-17,20-21H,3-11H2,1-2H3

14)18(21)7-13(11)15(17)10-22/h2-6,10,13,15,17-18,20H,7-9H2,1H3
 19/h17H,1-15H2,(H,18,19)
 (24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3
 4(27-2)12-16(15)23-17(21)22(26,13-20)19(25)28-3/h5-8,12,17-18,23,26H,4,9-11,13H2,1-3H3
 -13(20)5-8-19(12,16)2/h12-13,15-17,20H,3-11H2,1-2H3
 -19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3
 -19(14,2)17(16)7-10-20(18,21)3/h12-13,16-18,22,24H,4-11H2,1-3H3
19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3
19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3
 8)9-16(23(15)20(11)25)17(12)19(21)26-10(2)24/h4-7,11-12,15-20,22,25H,3,8-9H2,1-2H3
-14(29-3)13-16(15)24(2)18(22)23(28,19(21)26)20(27)30-4/h6-9,13,17-19,26,28H,5,10-12H2,1-4H3
 -19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3

h1-10H2,(H,13,16)(H,14,15)
6)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3
 18(20)21/h1-2,19H,3-17H2,(H,20,21)
 18(20)21/h1-2,17H,3-16H2,(H,20,21)
13(21)6-9-19(12,16)11-20/h10,14-17,20,22H,2-9,11H2,1H3
13(21)6-9-19(12,16)11-20/h10-11,14-17,22H,2-9H2,1H3

/h1-6,14H,7H2,(H,16,17)
10)(H,11,12)


29-14(9(2)19)18(8)7-11-6-16-10(3)17-13(11)15/h6,19H,4-5,7H2,1-3H3,(H,23,24)(H2,15,16,17)(H2,20,21,22)
3,(H,8,9)(H,10,11)
7)18/h4,6-7H,1-3,11-12H2,(H,13,14)(H,15,16)(H,17,18)
0(16)17/h5,7-8,13H,2-4,12H2,1H3,(H,14,15)(H,16,17)(H,18,19)/p+1

5H2,(H,11,12)
6-57)9-49-56(45,46)53-55(43,44)48-8-13-17(36)19(24(50-13)33-11-32-15-21(27)30-10-31-22(15)33)52-25-18(37)16(35)12(51-25)7-47-54
6-65)9-53-63(47,48)58-61(43,44)52-8-13-17(36)19(24(54-13)33-11-32-15-21(27)30-10-31-22(15)33)56-25-18(37)16(35)12(55-25)7-51-62
,3H2,1H3,(H,9,11)(H,12,13)(H,14,15)
(11)15/h2-7,9H,8H2,1H3,(H,16,17)


,11)(H,12,13)
,11)(H,12,13)

 8)(H2,9,10,11)


21)4(17)2(16)1-15/h2,4,7,15-17,19-22H,1H2,(H3,10,11,12,18)
7)2(16)1-15/h2-3,5,8,11,15-17,19-20H,1H2,(H3,10,12,13,18)

9,10,11,12,13)
8)5(17)3(24-9)1-23-25(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,12,16)(H2,20,21,22)(H4,11,13,14,15,19)
 8-58-27(42)15-9-14(37)3-4-16(15)29)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)36-13-35-19-23(30)33-12
10)12-6/h8,18-19H,1H3,(H3,10,12,13,17)
)5(16)2(15)1-27-31(23,24)29-32(25,26)28-30(20,21)22/h2,5,8,15-16,18-19H,1H2,(H,23,24)(H,25,26)(H2,20,21,22)(H3,10,12,13,17)




10-57-27(41)15-5-3-4-6-16(15)29)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-34




4-15H,1-3H2
 )5(2-11)20-9/h4-14H,1-3H2,(H2,15,16,17)

3-10/h13H,1-4,12H2,(H,14,15)(H,16,17)

1H3,(H2,9,10,11)
2H2,(H,11,12)
3-4,7-9,12H,1-2H2,(H,10,11)(H2,13,14,15)
0,11)(H,12,13)




 ,16H,5-6,8,10,12H2,1-4H3
10)(H,11,12)




1-2H2,(H2,10,11,12)

13,15H,1,3H2




15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)




1(14)15(12)19/h1-6,12,16-18H,7H2
2,1H3,(H2,9,10,11)

 6)17/h1-7,15H,(H,16,17)(H,18,19)
5(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3

 1(14)15(12)19/h1-7,16-18H
(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)
2-4-12(15)16(13)19/h2-8,17-18H,1H3

8-57-25(41)13(34)3-4-16(36)37)10-50-56(47,48)53-55(45,46)49-9-14-19(52-54(42,43)44)18(38)24(51-14)33-12-32-17-21(27)30-11-31-22
1)20-15(13)19/h1-7,13,15-17,19H

,3H2,1H3,(H,9,11)(H,12,13)(H,14,15)


0-16-28(5)32(50)40(54)70-20-19-43-30(49)17-18-44-38(53)35(52)41(6,7)22-63-69(60,61)66-68(58,59)62-21-29-34(65-67(55,56)57)33(51




 ,9H,1-2H2,(H,10,11)(H2,12,13,14)
10,11)(H,12,13)
9,10)(H,12,13)




6(20)17(22-2)10-14(11)12/h9-10,12-13,15,18,20-21H,3-8H2,1-2H3


6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33
5(5)20-21-27-26(6)30(32)28-18-7-8-19-29(28)31(27)33/h7-8,18-20,22-24H,9-17,21H2,1-6H3
43(5)26-15-27-44(6)28-16-29-45(7)30-17-31-46(8)32-18-33-47(9)34-19-35-48(10)36-37-50-39-51(53)38-49(11)52(50)54/h20,22,24,26,28
6-29-23(38)20(37)26(3,4)10-48-54(45,46)51-53(43,44)47-9-15-19(50-52(40,41)42)18(36)24(49-15)33-12-32-17-21(27)30-11-31-22(17)33
-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h1




/h3-7,9-14H,1-2H2,(H,15,16)
11(20)10(19)12(21)14(22)23/h1-5,10-13,16-17,19-21H,(H,22,23)(H,24,25)
39(5)24-13-25-40(6)26-14-27-41(7)28-15-29-42(8)30-16-31-43(9)34-35-44-32-17-33-45(47)46(44)48/h17-18,20,22,24,26,28,30,32-34,47
40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)35-36-45-33-18-34-46(49-10)47(45)48/h18-19,21,23,25,27,29,31,33-35
0(5)25-15-26-41(6)27-16-28-42(7)29-17-30-43(8)31-18-32-44(9)35-36-45-33-10-11-34-46(45)47/h10-11,19,21,23,25,27,29,31,33-35,47H
5H2,(H,11,14)(H,12,13)/p-1
2-4-9(7)16-13(8)20/h1-4,8,10H,5-6H2,(H,15,17)(H,16,20)(H,18,19)(H,21,22)
9)5-8-7-3-1-2-4-9(7)17-15(8)23/h1-4,8,10,12-14,16,18,20-22H,5-6H2,(H,17,23)




18(20)21/h2-16H2,1H3,(H,20,21)

19(21)20(22)23/h15-18H,6-14H2,1-5H3,(H,22,23)

28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H3,15,16,
7-9H,1H2,(H2,11,12,13)
7)(H,8,9,10)
13)8(14)9(15)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)




4H,5-6H2,(H,13,14)(H,15,16)
1)17/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,17)
 -12H,5-6,8,10H2,1-4H3
 ,16H,5-6,8,10,12H2,1-4H3
24)12-22)21(16,2)10-8-17(15)20/h11-12,15-19,24H,3-10H2,1-2H3
2(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,19-21,25-26H,1,6,8,10,12-14,16-18,24H2,(H,27,28)(H,29,30)
 23)15-11-16-20(24)25/h3-5,7-9,13-14,18-19,21-23H,1-2,6,10-12,15-17H2,(H,24,25)
18-16-19(28)12-14-25(18,3)22(20)13-15-26(21,23)4/h7,10,17,19-24,28-30H,6,8-9,11-16H2,1-5H3
17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,11,18,20-24,28-29H,6-7,9-10,12-17H2,1-5H3
14-21-19-6-5-17-13-18(29)7-9-25(17,3)20(19)8-10-26(21,23)4/h5,16,18-23,28-29H,6-15H2,1-4H3
14-22-20-6-5-18-13-19(7-9-31(18,3)21(20)8-10-32(22,25)4)39-29-28(38)27(37)26(36)24(15-34)40-29/h5,17,19-29,34-38H,6-16H2,1-4H3

 9(19)11(20)15(10)23-14/h1-4,13-14,16-20,22H
 /h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)
2,(H,4,5)(H2,6,7,8)(H2,9,10,11)
 5(5)20-21-31-29(33)27-19-8-7-18-26(27)28(32)30(31,6)34-31/h7-8,18-20,22-24H,9-17,21H2,1-6H3
 2)17/h1-6,14-17H




 -7-8-58-27(42)15-4-3-14(29)9-16(15)30)11-51-57(48,49)54-56(46,47)50-10-17-21(53-55(43,44)45)20(39)26(52-17)37-13-36-19-23(31)34


,12-13H,1H3
14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3




24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h21-26,32H,1,9-19H2,2-8H3




13H,(H,10,12)
3-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3

3,5-6H,4,7-8H2,(H,15,16)
16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h8,18-19,21-25,28-29H,5-7,9-17H2,1-4H3
 6-7H,2-3H2,1H3,(H,8,9)(H,10,11)




 5/h1-6,14H,7H2,(H,16,17)
4,5)(H2,6,7,8)(H,9,10,11)
 7/h1-7,14-15H,(H,16,17)
1H3,(H,9,10)(H,11,12)
2H,4H2,(H,13,14)
5H2,(H,12,13)

  /h1-6,10,13-14,16H
1-6,11,13-15H,7H2
1-6,14-15H,7H2
(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)
3,(H,9,12,13)
 8-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h1
 65)72-51(44-40-36-32-28-23-19-15-11-7-3)48-56(66)74-59-57(60(67)73-52(49-62)58(59)75-76(68,69)70)61-53(63)47-50(43-39-35-31-27
 0)8(19)5(32-12)1-30-36(26,27)34-37(28,29)31-2-6(13(21)22)33-35(23,24)25/h3-6,8-9,12,19-20H,1-2H2,(H,21,22)(H,26,27)(H,28,29)(H2,1
 1)8(20)6(30-12)2-29-33(26,27)31-32(24,25)28-1-5(19)13(22)23/h3-6,8-9,12,19-21H,1-2H2,(H,22,23)(H,24,25)(H,26,27)(H2,14,15,16)
19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3
25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)
 )20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)
31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3
 H3,(H,10,11)(H,12,13)


4-15H,1-3H2
12(18-29-31(24,25)26)7-4-8-27-15(22)10-5-2-1-3-6-10/h1-3,5-6,11,13-14,16-17,19-21,23H,4,7-9H2,(H,24,25,26)
2-14)21-11(20)9(10)19/h3-20H,1-2H2
 (14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3
19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3

H,8,9)(H,10,11)




3-7-13(17)21-22-15(12-29-26(22)33)20-14-8-4-6-10-18(14)31(27)24(20)23(21)30/h3-10,16,19,25,28,32H,11-12H2,1-2H3,(H,29,33)
6/h3,5-6,8,10-11H,1-2H2,(H,12,13)(H2,14,15,16)
9-10,12-14H,1-2H2,(H,15,16)
6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1
0-21(16,17)18/h3,6-8,11,16-18,21H,1-2H2,(H,12,13)(H,14,15)
0-21(16,17)18/h3,6-8,11H,1-2H2,(H,12,13)(H,14,15)(H2,16,17,18)

1(5)20-12-21-32(6)22-13-23-33(7)24-25-34-26-35(38(40)41)27-36(42-8)37(34)39/h14,16,18,20,22,24,26-27,39H,9-13,15,17,19,21,23,25H
(5)19-11-20-31(6)21-12-22-32(7)23-24-33-25-34(37(40)41)26-35(38)36(33)39/h13,15,17,19,21,23,25-26,38-39H,8-12,14,16,18,20,22,24H
H3,(H,11,13)
5(5)20-21-31(34)26(6)29(32)27-18-7-8-19-28(27)30(31)33/h7-8,18-20,22-24,26,34H,9-17,21H2,1-6H3
3-1-2-4-8(7)16-13(14)22/h1-4,9,16,23H,5-6H2,(H,15,17)(H,18,19)(H,20,21)
2-13-11-34-21(41)7-10-35-29(45)26(44)31(3,4)16-55-61(52,53)58-60(50,51)54-15-20-25(57-59(47,48)49)24(43)30(56-20)39-18-38-23-27
7-58-17(38)9-27(3,42)8-16(36)37)11-51-57(48,49)54-56(46,47)50-10-14-20(53-55(43,44)45)19(39)25(52-14)34-13-33-18-22(28)31-12-32

17(23)19(13,2)10-9-15(12)21/h3,6,12-13,22H,4-5,7-10H2,1-2H3,(H,24,25)


 ,1H3,(H,12,13)

8-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h1
8-55-16(35)9-26(3,4)39)11-48-54(45,46)51-53(43,44)47-10-14-19(50-52(40,41)42)18(36)24(49-14)33-13-32-17-21(27)30-12-31-22(17)33
1-3,6,13H,4,11-12H2,(H,15,16)

 7-11-3-4-15(20)16(21)8-11/h3-4,8-10,14,20-22H,5-7H2,1-2H3
-6,10H2,1-3H3/p+1

8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-1
39)35-31-33(32(47-48(42,43)44)28(25-36)45-34(31)41)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,31-34,36-38,41H,3-25H2
8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32




9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13
13)7(14)8(15)9(16)20-10/h5,7-10,12-16H,1-4H2,(H,17,18,19)
15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3




8-58-18(39)9-14(35)3-4-17(37)38)11-51-57(48,49)54-56(46,47)50-10-15-21(53-55(43,44)45)20(40)26(52-15)34-13-33-19-23(28)31-12-32
H2,(H,12,13)

21-11(20)8(18)7(10)17/h3-5,7-15,17-20H,1-2H2




12,14-15H,3H2,1-2H3
 -24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h9
 19(37)7-8-32-26(40)23(39)29(2,3)13-50-56(47,48)53-55(45,46)49-12-18-22(52-54(42,43)44)21(38)27(51-18)36-15-35-20-24(30)33-14-34
5,10H,6-7H2,1H3,(H,13,14)(H,15,16)
3)32(47)63-10-9-35-22(41)7-8-36-30(46)27(45)33(2,3)15-56-62(53,54)59-61(51,52)55-14-21-26(58-60(48,49)50)25(44)31(57-21)40-17-39
3)32(47)63-10-9-35-22(41)7-8-36-30(46)27(45)33(2,3)15-56-62(53,54)59-61(51,52)55-14-21-26(58-60(48,49)50)25(44)31(57-21)40-17-39
-6(5-13)8(14)9(15)10(16)21-11/h6,8-11,13-16H,2-5H2,1H3,(H,18,19,20)

)10(16)18-11/h6,8-11,13-17H,2-5H2,1H3
13)8(14)9(15)10(16)20-11/h6,8-11,13-16H,2-5H2,1H3,(H,17,18,19)




0(8-3-1-2-4-9(8)22-19(20)32)6-12(24)21-10(17(30)31)5-13(25)26/h1-4,10-11,14-16,18,22-23,27-29H,5-7H2,(H,21,24)(H,25,26)(H,30,31)
 39(5)23-13-24-40(6)25-14-26-41(7)27-15-28-42(8)29-16-30-43(9)31-32-44-35-45(47(49)50)33-34-46(44)48/h17,19,21,23,25,27,29,31,33


 (2)16(14)5-6-17(21)22-19/h11,14-16H,3-10H2,1-2H3
25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-16,18-21H,4-14H2,1-3H3,(H,26,27)
 9,10)(H,12,13)
27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68
27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68
2-14-44(25,4)30(27)19-32(54)45(28,29)5)6-11-34(56)75-17-16-47-33(55)13-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20
2-14-44(25,4)30(27)19-32(54)45(28,29)5)6-11-34(56)75-17-16-47-33(55)13-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20
2-14-44(25,4)30(27)19-32(54)45(28,29)5)6-11-34(56)75-17-16-47-33(55)13-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20

1H3,(H,14,15)
)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21,23H,8-15,17H2,1-7H3,(H,33,34)
)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44
9-59-19(40)10-15(36)4-3-5-18(38)39)12-52-58(49,50)55-57(47,48)51-11-16-22(54-56(44,45)46)21(41)27(53-16)35-14-34-20-24(29)32-13
5-28(48)27(5)39(53)69-19-18-42-30(49)16-17-43-37(52)34(51)40(6,7)21-62-68(59,60)65-67(57,58)61-20-29-33(64-66(54,55)56)32(50)38




6/h1-4,7-9H,(H,10,11)(H,12,13)(H2,14,15,16)




3,8H2,(H,12,13)(H,9,11,14)


6(11)15)6-2-3-7(17)8(18)4-6/h2-5,17-20,22H,1H3
 9(19)11(20)15(10)23-14/h1-2,5,8-11,13-20,22H,3-4H2


22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3

 4H2,(H,13,14)
5-3)16(26-11)8-4-5-9(19)10(20)6-8/h4-7,19-21H,1-3H3
 )21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3
2)16(25-10)7-3-4-8(18)9(19)5-7/h3-6,18-21H,1-2H3
 16)7-2-3-9(18)10(19)4-7/h2-6,17-20H,1H3




15)21)9-4-5-13(23-2)11(19)6-9/h4-8,19-20H,1-3H3
6-1-2-8(17)9(18)3-6/h1-5,16-19,21H

8-57-18(37)9-14-3-4-17(36)50-14)11-49-56(46,47)53-55(44,45)48-10-15-21(52-54(41,42)43)20(38)26(51-15)34-13-33-19-23(28)31-12-32




)(H2,9,10,11)/p-1
6-60-16(38)8-27(44,25(42)43)7-15(36)37)10-53-59(50,51)56-58(48,49)52-9-13-19(55-57(45,46)47)18(39)24(54-13)34-12-33-17-21(28)31
10-12-30(39)40)27(35-24)16-28-22(11-13-31(41)42)19(5)25(36-28)15-29-23(9-2)34(6,7)33(44)38-29/h9,14-16,36H,8,10-13H2,1-7H3,(H,3
10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7,14-15,19,26,35H,8-13H2,1-6H3,(H,3
10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,19,35H,2,9-12H2,1,3-6H3,(H

37)6-8-31-25(41)22(40)27(2,3)12-50-56(47,48)53-55(45,46)49-11-16-21(52-54(42,43)44)20(39)26(51-16)35-14-34-19-23(28)32-13-33-24
4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3
4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-25H,7-9,11-17H2,1-6H3

7-22-10-3-1-9(2-4-10)17(30)25-12(18(31)32)5-6-13(28)29/h1-4,11-12,22,24H,5-8H2,(H,25,30)(H,28,29)(H,31,32)(H5,20,21,23,26,27)
-4,7-8H,1,11H2,(H,12,13)(H,14,15)




9-54-16(35)4-3-6-26)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)33-13-32-17-21(27)30-12-31-22(17)33/h1
19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3
0)(H,11,12)(H,13,14)




5(21)22)7-11(18)14(12)20/h1-6,11-12,14,17-18,20,23H,7-8H2,(H,21,22)
24,25)28-4-7-10(20)11(21)12(30-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21,23H,4-6H2,1H3,(H,24,25)(H,26,27)(H3,15,16,22)
0(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25)
 14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)
26-13(8)22)28-14-9(19)5(18)2-6(27-14)12(20)21/h2,5,7-11,13-14,16,18-19,22H,3H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)
 12/h3-11H,1-2H3
 -5-7-14/h3-11H,1-2H3
H,11,12)(H,13,14)




1(18-28-30(24,25)26)4-7-5-17-9-2-1-3-10(20)12(7)9/h1-3,5,8,13-17,19-23H,4,6H2,(H,24,25,26)


9-54-16(35)4-3-8-33)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h1
9-62-22(42)11-18(40)16-4-5-17(39)19(10-16)53-3)13-55-61(51,52)58-60(49,50)54-12-20-25(57-59(46,47)48)24(43)30(56-20)38-15-37-23




H,11,12)(H,13,14)
19-29-31(24,25)26)30-17-9(7-20)14(21)15(22)16(23)28-17/h2-4,6,9,14-18,20-23H,5,7H2,1H3,(H,24,25,26)
4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24,26,29H,7,9-17H2,1-6H3




 (4-2-8)15(20)21/h1-4,7,10-12,14,16-18H,5-6H2

 ,(H,9,10)(H,11,12)(H,13,14)
 ,(H,9,10)(H,11,12)(H,13,14)
 0)(H,11,12)(H,13,14)
9,10)(H,11,12)(H,13,14)




-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)
1)12/h7,13H,3-5H2,1-2H3,(H,10,14)(H,11,12)(H2,15,16,17)
 ,(H,7,8)(H2,9,10,11)
)9(3)4/h5,7,9,16-17,19H,6H2,1-4H3
(15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,11-12,16-17,19,22H,8-10H2,1-2H3/q+1
-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h12,20-23,25-26,31H,9-11,13-19H2,1-8H3
(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,20,22-23,25-26,30H,8,10-18H2,1-7H3
(4,5)26(30)16-18-29(25,7)24(21)15-17-28(22,23)6/h9,13,20,22,25-26,30H,8,10-12,14-18H2,1-7H3

-28(46)65-18-17-39-27(45)15-16-40-35(49)32(48)37(5,6)20-58-64(55,56)61-63(53,54)57-19-26-31(60-62(50,51)52)30(47)36(59-26)44-22


 7)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,9,12-13H,5-8H2,(H6-,21,22,23,24,25,28,29,30,31,32,33)/p+1
3-2-8-18-13/h2-3,6-8,11,16H,9H2,1H3
22-14)15-4-3-9-21-15/h3-4,7-9,13H,10H2,1-2H3
10-17-13/h4,6-8,10H,3,9H2,1H3
3,5-7,9,13H,2,8H2

1(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,10,19-21,23-25,28H,6,8-9,11-17H2,1-5H3

-7(16)17/h1-4,15H,12H2,(H,16,17)
6)16/h1-4,15-16H,12H2




19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3
27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-25,28-30H,6-15H2,1-5H3
31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h16-25,28-31H,5-15H2,1-4H3
32-33(24,25)29-4-6-9(20)10(21)12(30-6)16-2-1-7(18)15-14(16)23/h1-2,6,8-13,19-22H,3-4H2,(H,24,25)(H,26,27)(H,15,18,23)

17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,1
(13)14-4-15-11(7)17/h4-6,8-9,12,18-19H,2-3H2,1H3,(H2,13,14,15)
6-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27
3-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32


1-13H,4H2,1H3
25-8)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h1,4-6,8,13-15H,2H2,(H,20,21)(H,22,23)(H3,10,11,16)(H2,17,18,19)
1,14H,1H3,(H,12,13)
 9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22


0/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)

 ,11-12H,3H2,(H,13,14)
,7,8,9,10,11,12)/p-1

 10-55-17(36)5-3-4-9-34)12-48-54(45,46)51-53(43,44)47-11-15-20(50-52(40,41)42)19(37)25(49-15)33-14-32-18-22(27)30-13-31-23(18)33
7-8-55-25(39)14-3-4-16(35)56-14)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(36)24(49-13)33-12-32-17-21(27)30-11-31-2
H,4-5H2,1-2H3
10,11)(H,12,13)


6)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)
16)6(4-15)19-10/h3,6-8,10,12,15-17H,2,4H2,1H3,(H,13,18,20)
6)6(4-15)19-10/h3,6-8,10,12,15-17H,2,4H2,1H3,(H,13,18,20)
)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)
11(12)14-3-13-5/h3-4,8-10,17-18H,2H2,1H3,(H,15,16)(H2,12,13,14)
)14-5-15-11(6)16/h2-3,5,7-9,12,17-18H,4H2,1H3,(H2,13,14,15)
-11(14)15-5-16-12(8)18/h5-7,9-10,13,19-20H,2-4H2,1H3,(H2,14,15,16)
17(30)15(28)16(29)20(19(21)32)34-12(25)5-8-6-23-10-4-2-1-3-9(8)10/h1-4,6,11,13-24,26-32H,5,7H2




H,1,6H2,(H2,9,10,11)
24)12(23)10(27-16)5-28-9-3-1-8(2-4-9)22(25)26/h1-4,6-7,10,12-13,16,23-24H,5H2,(H2,17,18,19)
0(15,16)17/h3-4,6-8,13-14H,1-2H2,(H,9,11)(H,10,12)(H2,15,16,17)
4)15/h3,5-7,11-12H,1-2,8H2,(H,9,10)(H2,13,14,15)
 1-3,7-8H2,(H,9,10)(H2,11,12,13)
-20(15,16)17/h2-5,8,13-14H,1,9-10H2,(H2,15,16,17)
(14,15)16/h1,3-4,6-8,12-13H,2,9H2,(H2,14,15,16)
0(15,16)17/h3-4,6-8,13-14H,1-2H2,(H2,9,11)(H,10,12)(H2,15,16,17)
 5)6-4-9-16(14)20/h3,7-8,16,18-20H,4-6,9-12H2,1-2H3
 5)6-4-9-16(14)20/h3,7-8,18-19H,4-6,9-12H2,1-2H3
,11)(H3,6,9,12)

8-14(31-13)6-12(26)17-15(18)11(25)5-9(22-17)20(29)30/h1-3,5-6,8,18,23H,4,21H2,(H,22,25)(H,27,28)(H,29,30)
2-4-12(16(23)24)10(6-8)14(19)20/h1-6H,(H,17,18)(H,19,20)
2H,(H,13,14)

7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18,20,22,24-26,29H,3,11-17H2,1-2,4-6H3
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3
2-9(17)10(18)3-7/h1-6,16-19H
)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3

3)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
3)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
3)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
3)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
23)24)25-19(17)13-18(16)22/h8,10-11,14,16-19,21-22H,2-7,9,12-13H2,1H3,(H,23,24)
3)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
3)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-18,21-22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
3)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
23)24)25-19(17)13-18(16)22/h8,10-11,16-19,22H,2-7,9,12-13H2,1H3,(H,23,24)
3)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-18,22H,2-3,5-6,8-11,14H2,1H3,(H,24,25)
  19-20(21)22/h3-4,6-7,11-16H,2,5,8-10,17-19H2,1H3,(H,21,22)
  12-15-18-20(21)22/h7-11,13-14,17,19,23H,2-6,12,15-16,18H2,1H3,(H,21,22)
  12-15-18-20(21)22/h4-5,8-11,14,17,19,23H,2-3,6-7,12-13,15-16,18H2,1H3,(H,21,22)
  19-20(21)22/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-19H2,1H3,(H,21,22)
  12-15-18-20(21)22/h6-7,9-11,13-14,16,19,23H,2-5,8,12,15,17-18H2,1H3,(H,21,22)
4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)
6(17)8(19)10-11(9)25-26(20,21)24-10/h2-12,14-19H,1,13H2,(H,20,21)
  (18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2
 ,6H,9H2,1-2H3,(H,12,13)
 -11/h1,3,5-7,12,14-15H,2H2,(H,10,13,16)
0-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33

14)22-10)7-4-5-21-17(7)23-11/h1-7,17-19H

11-56-18(37)6-4-3-5-10-35)13-49-55(46,47)52-54(44,45)48-12-16-21(51-53(41,42)43)20(38)26(50-16)34-15-33-19-23(28)31-14-32-24(19

10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33

12H,2H2,1H3
 22)13-7-18-17(25-9-26-18)5-12(13)6-19(21)23/h2-3,5,7,19,23H,4,6,8-10H2,1H3
15(29)11(25)8(33-18)3-30-17(4-21)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2
-7/h3-4,12,15H,2H2,1H3,(H4,10,11,13,14,17)
12H,3H2,1-2H3

4)7(16)10(19)22-11/h2-19H,1H2
 0-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3

10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33
-7/h4,12H,2H2,1H3,(H4,10,11,13,14,17)




 3(11)20-14(10)15/h1-6,14,16-18H,7H2
 17-15-18-20(21)22/h6-7,9-10,12-14,16,19,23H,2-5,8,11,15,17-18H2,1H3,(H,21,22)
)12(26)13(27)16(31-8)34-18(5-22)15(29)11(25)7(2-20)33-18/h6-16,19-29H,1-5H2
 6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)
14)21-22(2,18)19/h3,6-9,13-14H,1H2,2H3,(H,15,16)(H,18,19)
14)21-22(2,18)19/h3,6-9,13-14H,1H2,2H3,(H,15,16)(H,18,19)
 16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)
 -16-8-3-1-7(2-4-8)13(22)23/h1-4,16H,5-6H2,(H,22,23)(H4,15,17,19,20,21)
8)16(25)26)17-10(21)4-2-3-9(20)15(23)24/h11,14H,2-6H2,1H3,(H,17,21)(H,23,24)(H,25,26)
27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h15,17-18,20-25,28-30H,5-14,16H2,1-4H3
H4,9,10,11,12,13)

 20)12(19)11(18)9(4-17)24-16/h5-7,9-13,15-20H,2-4H2,1H3,(H,21,22)
 4(21)13(20)12(19)10(5-18)25-17/h6-8,10-14,16-21H,3-5H2,1-2H3
 6,12H,4H2,(H,11,15)(H,13,14)/p-1
 -6-7(4-10(19)20)15(24)17-11(6)8/h1-3,7,9,12-14,16,18,21-23H,4-5H2,(H,17,24)(H,19,20)/p-1
 32-20(39)8-9-33-28(43)25(42)30(3,4)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34-15
(18)6(17)4(24-10)2-23-25(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H4-,12,13,14,19,20,21,22)/p+1
 ,1H3,(H2,8,9,11,12)
 8)6(17)4(2-16)21-10/h4-8,10,16-18H,2-3H2,1H3,(H2,12,13,19,20)
 24)19(13)21(14,7-8-22(15)2)11-18(17)26-4/h5-6,10-11,15,17,24H,7-9H2,1-4H3
-28)10-36-25)24(39-18)37-13-5-14(30)19-15(31)7-16(38-17(19)6-13)11-1-3-12(29)4-2-11/h1-7,18,20-25,27-30,32-35H,8-10H2
 )15(10-27-18)13-7-5-12(22)8-16(13)23/h4-5,7-10,22-24H,6H2,1-3H3
6)21(34)17(9-29)41-26(27)19-16(38-2)8-14(32)18-13(31)7-15(40-25(18)19)11-3-5-12(30)6-4-11/h3-8,10,17,20-24,26-30,32-37H,9H2,1-2H
26)35-19-17-16(10(27)8(4-25)34-19)37-20(38-17)18(30)12(29)11(28)13(36-20)6(22)3-24/h5-19,23-30H,2-4,21-22H2,1H3,(H2,31,32,33)

19(24)23(28)29)20(25)15-14-17-22(26)27/h6-7,9-13,16,19-21,25H,2-5,8,14-15,17-18,24H2,1H3,(H,26,27)(H,28,29)
H3,(H,12,13)
-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,31H,12,19,22-23H2,1-7H3
1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)
 /h2-6H,1H3
12-3-13-10(5)15/h3-4,6,8-9,11,16,18-19H,1-2H2,(H,12,13,17)


 19)20/h15,17-18H,1-14H2,(H,19,20)
 19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)
 19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)
4(1-16)19-10/h2-4,6,9-10,16-17H,1,11H2,(H,12,13)
 10-14-18(20)21/h16-17,19H,1-15H2,(H,20,21)
 10-14-18(22)23/h16-17,19-21H,1-15H2,(H,22,23)
13,3)21(17)18(24-21)11-19(15,16)2/h10,15-18H,4-9,11H2,1-3H3




-19-21(16,17)18/h4,6-8,13-14H,1-3H2,(H,10,12,15)(H2,16,17,18)
h2-3H2,1H3,(H4,10,11,13,14,16)




8-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h1




18(34)23(2,3)9-44-50(41,42)47-49(39,40)43-8-13-17(46-48(36,37)38)16(33)22(45-13)30-11-29-15-19(24)27-10-28-20(15)30/h10-11,13,1
 16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,
9-17-30-52(5)31-18-32-53(6)33-19-34-54(7)35-20-36-55(8)37-21-38-56(9)39-22-40-57(10)41-23-42-58(11)43-24-44-59(12)45-46-85-91(81
 (18)2-5(13)12(21)22/h5-6,8-11,16,19-20H,2-3,13H2,1H3,(H,14,17)(H,15,18)(H,21,22)
,(H,8,9)(H,10,11)(H,12,13)
H2,1-4H3/p+1


14-10(21)8(19)7(18)5(2-15)24-14/h5-16,18-22H,2-3H2,1H3
-18(31)8(2)33-15-13(22-9(3)25)19(32)34-11(6-24)14(15)28/h7-8,10-11,13-15,19,24,28,32H,4-6H2,1-3H3,(H2,20,29)(H,21,31)(H,22,25)(H,

4-6)17-4-16-7-10(13)14-3-15-11(7)17/h3-4,6,8-9,12,19-20H,2H2,1H3,(H,21,22)(H2,13,14,15)
-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)




 6)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h4,11-13
2)69(13)25-38(75)71(15)48(29(5)6)61(86)88-33(11)44(55(80)65-42)67-53(78)35-22-21-31(9)51-46(35)64-47-40(41(63)50(77)32(10)52(47
3)69(13)25-38(76)71(15)48(29(5)6)61(87)88)65-55(81)44(33(11)75)67-54(80)40-41(63)50(78)32(10)52-47(40)64-46-35(22-21-31(9)51(46


4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)
6(20-10)8(12)19/h1-2,4-6,10,17-18H,(H2,12,19)(H2,11,13,14)
3(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14
 24)9(23)6(31-14)2-30-35(26,27)34-36(28,29)33-15-11(25)8(22)5(1-21)32-15/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17
5-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)
3(33)11(31)7(45-19)1-43-50(35,36)47-52(39,40)49-53(41,42)48-51(37,38)44-2-8-12(32)14(34)20(46-8)30-6-28-10-16(22)24-4-26-18(10)30
9)3)74(39)28-75(51)57-52(84)53(40(27-76)87-57)89-90(85,86)88-30(2)25-69-47(83)19-20-59(9)38(22-44(66)80)56(72-55(59)32(4)48-36(1
 00)59-45(29-106-111(101,102)103)110(72)44(22-54(97)80-27-35(4)108-112(104,105)109-59)56-39(14-17-49(74)92)66(7,8)46(84-56)21-4
17-45(6)29(18-35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)1
 6-55(75)78-27-79-56(46)86)50(99)54(100)68(87,63(5,6)18-11-12-38(69)90)21-36-33(13-15-39(70)91)65(8,22-42(73)94)52(81-36)31(3)45
2-55-38(66)16-17-45(6)29(18-35(52)63)43-48(9)47(8,21-37(54)65)28(12-15-34(51)62)40(59-48)25(3)42-46(7,20-36(53)64)26(10-13-32(49
 -11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)

(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)
 26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2
 28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,
(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)
 28)8(25)6(35-16)2-34-39(30,31)38-40(32,33)37-17-12(29)9(26)10(27)13(36-17)5(24)1-23/h3-6,8-13,16-17,23-29H,1-2H2,(H,30,31)(H,32,
29)11-22(37,21(35)36)12-18(30)24-16(20(33)34)8-4-6-10-26(39)14(2)28/h15-16,37-39H,3-12H2,1-2H3,(H,23,29)(H,24,30)(H,31,32)(H,33,
 6)2-4-9/h1-4,10,14,16H,5-7,13H2,(H,15,17)(H,18,19)


9)1-20-22(17,18)19/h2-3,5-6,9,14-15H,1,10H2,(H2,11,16)(H2,17,18,19)

16)17/h5-6H,3-4,11H2,1-2H3,(H,12,18)(H,13,19)(H,14,15)(H,16,17)
16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
12(16)18-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
6)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3
H2,(H2,7,8,9)(H2,10,11,12)
 (9)16/h1-6,15,18H
0-32(5)21-12-22-33(6)23-13-24-34(7)25-14-26-35(8)27-28-41-44(39,40)42-43(36,37)38/h15,17,19,21,23,25,27H,9-14,16,18,20,22,24,26,2
 28(5)19-11-20-29(6)21-12-22-30(7)23-24-36-39(34,35)37-38(31,32)33/h13,15,17,19,21,23H,8-12,14,16,18,20,22,24H2,1-7H3,(H,34,35)(H
 4(5)17-10-18-25(6)19-20-31-34(29,30)32-33(26,27)28/h11,13,15,17,19H,7-10,12,14,16,18,20H2,1-6H3,(H,29,30)(H2,26,27,28)
 7,11)(H3,6,8,12)




7(23)8-13-4-5-18(24-2)21(25-3)16(13)11-22/h4-5,9-10H,6-8,11-12H2,1-3H3
7(16)9(18)11(20)22-4/h3-20H,1-2H2




19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3
 15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,23H,7H2,1-3H3
 (18)8(16)6(2-14)22-12/h5-10,13-18H,1-4H2
10H,1H2,(H2,11,12,13)

 20-15(31)17(11(27)7(3-23)35-20)37-19-14(30)13(29)10(26)6(2-22)34-19/h6-20,22-24,26-32H,2-4H2,1H3,(H,21,25)
 19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)
39-22-40-73(5)41-23-42-74(6)43-24-44-75(7)45-25-46-76(8)47-26-48-77(9)49-27-50-78(10)51-28-52-79(11)53-29-54-80(12)55-30-56-81(1
26)9(22)8(21)6(31-17)3-29-16-12(25)7(20)4(19)2-28-16/h4-27H,1-3H2
10H,1H2,(H2,11,12,13)

0(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)
 3)10-7-4-5-8-11-20(24)25/h4,7,16-17,19,23H,2-3,5-6,8-14H2,1H3,(H,24,25)
 (17)5(15)4(2-14)22-12/h3-20H,1-2H2
 2,(H,7,8)(H2,10,11,12)
21-11(20)8(18)7(10)17/h3-20H,1-2H2
21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h13,18,20-21,23-24,27,30H,3,8-12,14-17H2,1-2,4-7H3
12-13H,5,11H2,1H3,(H,14,15)
 22)45-21-8-7-19-18-5-3-14-11-15(4-6-16(14)17(18)9-10-32(19,21)2)43-31-27(40)25(38)26(39)28(46-31)29(41)42/h4,6,11,17-28,30-31,34
 )15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H

8)11(5-17)20-14/h3-4,6,11-14,17-19H,5H2,1-2H3
17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)
14(8)17/h5,7-8,10,13H,4,6H2,1-3H3
9(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3
5-18)10-7-4-5-8-11-19(22)23/h4,7,12-13,15-18,20-21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)
1-6,13H,12H2,(H,14,15)
(18)6(16)4(2-14)22-12/h3-20H,1-2H2
3)10-7-4-5-8-11-20(24)25/h12-13,15-17,19,21,23H,2-11,14H2,1H3,(H,24,25)

5/h5,7,14H,1-4H2,(H,16,17)(H4,10,11,12)

7-14(13)15/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17)/q+1
5,12H,3,9H2,(H,13,14)
2H2,(H4,8,9,11,12,14)
4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,8,11,15-17H,1-2H2,(H,21,22)(H,23,24)(H3,10,13,14)(H2,18,19,20)
2,1H3,(H2,7,8,9)(H2,10,11,12)
11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)

2H2,(H4,8,9,11,12,14)

/h5-8H,3-4,11H2,1-2H3
6)2-14/h3-4,6,14-17H,1-2,10H2,(H3,11,12,13,18,19)




6)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)
6)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)
19(15,2)10-8-16(14)18/h11,14-16H,3-10H2,1-2H3
19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3
19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3
 16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28/h4-6,11,16,25-27,31H,7H2,1-3H3,(H2,23,30)




7)8-14(15)20/h1-8,16-17,19H
 2(6-16(20)36-15)35-24-23(33)22(32)21(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,21-26,31-33H,8-9H2,(H,28,29)
-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2
20(33)23(25(36)37)41-27(24)39-12-6-13(29)17-14(30)8-15(40-16(17)7-12)10-2-4-11(28)5-3-10/h2-9,18-24,26-29,31-35H,1H3,(H,36,37)

 16)4(24-10)1-23-26(18,19)25-27(20,21)22/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H,20,21,22)
8)27-75(51)57-52(84)53(39(26-76)87-57)89-90(85,86)88-29(2)25-69-47(83)18-19-59(8)36(21-44(66)80)56-62(11)61(10,24-46(68)82)35(14

2H2,(H2,10,11,12)
 19-20(21)22/h2-19H2,1H3,(H,21,22)
 19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)
-18-19-20-21-34(51)70-25-24-44-33(50)22-23-45-40(54)38(53)42(2,3)28-63-69(60,61)66-68(58,59)62-27-32-37(65-67(55,56)57)36(52)41
1,12)(H4,8,9,10)
-13H,1,5-8,10H2,2-4H3




 4)11-3-7-13(19)8-4-11/h1-9,18-20H
 0)25(27(31)32-24)21-10-12-23(29)20(15-21)9-6-17(3)4/h5-7,10-15,28-30H,8-9H2,1-4H3
4)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)
(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)
1-3H3,(H2,10,11,12,13,14)
1-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3


9-11-18)24-29(6,20(35)12-21-30(24,14-39-21)42-17(3)33)25(36)23(40-16(2)32)22(15)28(31,4)5/h7-11,19-21,23-24,26,34-35,38H,12-14H2

H3,(H2,9,10,11,12,13)




0-11-59-21(40)12-18(38)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34
0-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24
0-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24
0-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38
9H,8H2,1-2H3
9-10,13H,8H2,1-2H3

-20)6-8-4-2-1-3-5-8/h8-9,11-14,16-20H,1-7H2
5-24-26(20,21)22)6-8-4-2-1-3-5-8/h8-9,11-14,16-19H,1-7H2,(H,20,21,22)

H,6-7H2,(H,12,13)(H,14,15)
0-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23
 9(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11
)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3


21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)32-11-31-15-19(26)29-10-30-20(15)32/h10-1

 -16-19(24)17(12(3)23)20(25)22-16/h4-7,10,16,21,23H,8-9H2,1-3H3,(H,22,25)

 4-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)
6)9(18)22-10(8)19/h2-19H,1H2
 4-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)
 16-29-51(5)30-17-31-52(6)32-18-33-53(7)34-19-35-54(8)36-20-37-55(9)38-21-39-56(10)40-22-41-57(11)42-23-43-58(12)44-45-82-88(78,
6-45(5)27-15-28-46(6)29-16-30-47(7)31-17-32-48(8)33-18-34-49(9)35-19-36-50(10)37-20-38-51(11)39-40-63-66(61,62)65-56-55(60)54(59
0(13,14)15/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15)
 (5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h10,18-19,21-25,30H,7-9,11-17H2,1-6H3,(H,31,32)
15-5-6-17(20)19(15,2)10-8-16(14)18/h12-16H,3-11H2,1-2H3,(H,21,22,23)
 (17)5(15)4(2-14)22-12/h3-20H,1-2H2
(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3




0-23(6-29)19(37)14(32)10(3-27)43-23)20(38)15(33)11(44-24)4-39-22(5-28)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2
10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H
 (10-12-31(51)65-45-37(57)33(53)35(55)39(67-45)43(62)63)29(47-25)15-28-22(17(4)24(46-28)13-26-16(3)21(8-2)41(59)48-26)9-11-30(50
 (9-11-30(44)45)28(41-25)15-29-23(18(5)24(40-29)13-26-16(3)21(8-2)37(51)42-26)10-12-31(46)54-39-34(49)32(47)33(48)35(55-39)38(52
10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-15,35H,1-2,9-12H2,3-6H3,(H,36
6(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,
 18)15(14)16(12)19/h2-8,17-18H,1H3
26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)
24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3
-7/h3,6,15-16H,2H2,1H3,(H4,10,11,13,14,17)
9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)


 5-31-32-6-10(16(29)30)20-12(22)4-2-8(18)14(25)26/h7-10H,1-6,17-18H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)
7-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h17-18,21-22,25-26,29-30,43H
2-7-3-10(4-8-12)14(17)18/h1-8H,(H,15,16)(H,17,18)(H,19,20)
 2(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
5-57(76)69-61-65(88-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)55(49-71)86-67(61)85-50-56-64(81)66(89-60(79)48-54(75)4
39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,31-34,36-38,41H,3-25H2
 3(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)


-4,7-8,13,15H,5-6H2,1-2H3




8)15(20)7-9/h1-8,16,18-20H
6,9H2,1H3,(H,11,12)




(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-1




21(8-6-7-20(42)38(64)65)47-25(53)10-9-22(39(66)67)48-33(59)16(2)43-34(60)18(4)74-31-27(46-19(5)52)40(76-23(13-51)29(31)56)77-80(
 22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)
3-20-34-59(5)35-21-36-60(6)37-22-38-61(7)39-23-40-62(8)41-24-42-63(9)43-25-44-64(10)45-26-46-65(11)47-27-48-66(12)53-54-113-118
 17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)
21(8-6-7-12-41)47-36(62)22(9-10-26(53)54)46-33(59)17(2)42-34(60)19(4)71-31-27(45-20(5)51)39(73-23(14-50)29(31)56)74-77(68,69)75-
4-22-35-60(5)36-23-37-61(6)38-24-39-62(7)40-25-41-63(8)42-26-43-64(9)44-27-45-65(10)46-28-47-66(11)48-29-49-67(12)53-55-110-115
3-20-34-59(5)35-21-36-60(6)37-22-38-61(7)39-23-40-62(8)41-24-42-63(9)43-25-44-64(10)45-26-46-65(11)47-27-48-66(12)53-54-113-118
9-17-30-51(5)31-18-32-52(6)33-19-34-53(7)35-20-36-54(8)37-21-38-55(9)39-22-40-56(10)41-23-42-57(11)43-24-44-58(12)45-46-86-92(82
1-19-32-53(5)33-20-34-54(6)35-21-36-55(7)37-22-38-56(8)39-23-40-57(9)41-24-42-58(10)43-25-44-59(11)45-26-46-60(12)47-48-97-105(9
4-21-35-61(5)36-22-37-62(6)38-23-39-63(7)40-24-41-64(8)42-25-43-65(9)44-26-45-66(10)46-27-47-67(11)48-28-49-68(12)54-55-125-132
 -13(6-4-5-12(23)20(34)35)18(31)24-10(2)17(30)25-11(3)19(32)33/h9-14H,4-8,22-23H2,1-3H3,(H,24,31)(H,25,30)(H,26,28)(H,27,29)(H,32,
H2,(H,10,11)(H,12,13)




10-60-21(41)6-4-16-3-5-17(38)18(39)11-16)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)37-15-36-22-26(31
 15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)
6(22)23)6-12(19)15(13)21/h1-6,12-13,15,17-19,21H,7H2,(H,22,23)
 23(17-21)11-13-25(27)20(2)7-6-15-26(3,4)29/h9-10,20,23-25,28-29H,1,6-8,11-18H2,2-5H3
27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3
3-4-11(15)16(12)19/h2-8,17-18H,1H3
20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)
0,11)(H4,7,8,9)
6(14)15/h4-5H,1-3,10H2,(H,14,15)(H,16,17)(H,18,19)(H3,11,12,13)
6-38(36,6)7)15-11-12-16-30(2)18-14-20-32(4)22-24-37(43)40(10)28-35(42)27-39(40,8)9/h11-24,34-35,41-42H,25-28H2,1-10H3
42)25-38(40,6)7)16-12-13-17-30(2)19-15-21-32(4)24-33(5)37(45)41(11)28-35(43)26-39(41,8)9/h12-24,34-35,42-43H,25-28H2,1-11H3




 10,11)(H3,6,7,12)




21(15,16)17/h3,7,11H,1-2H2,(H,9,10)(H2,12,13,14)(H2,15,16,17)
H,4-5H2,(H,11,12)
(H,10,11)(H,12,13)


0-11-63-31(47)18(12-21(41)42)23(43)17-6-4-3-5-7-17)14-56-62(53,54)59-61(51,52)55-13-19-25(58-60(48,49)50)24(44)30(57-19)39-16-38
4-2-1-3-7(8)12(17)18/h1-4,10-11,13,15-16H,5-6H2,(H,17,18)(H2,19,20,21)

-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)

8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H3,10,11,15)(H2,16,17,18)
 -33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H3,16,17,23)
 -33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H3,16,17,23)
 -33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6-9,11-14,19-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H3,16,17,23)
7-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H4-,15,16,21,22,23,24,25)/p+1
 (31-13)4-30-35(26,27)34-36(28,29)33-14-12(24)10(22)8(20)5(3-19)32-14/h1-2,5-6,8-14,19-24H,3-4H2,(H,26,27)(H,28,29)(H3,16,17,25)
 8(16)9(17)10(25-6)15-3-1-7(13)14-11(15)18/h1,3,6,8-10,16-17H,2,4-5,12H2,(H,19,20)(H,21,22)(H3,13,14,18)
 7-9(17)10(18)11(26-7)16-4-2-8(13)15-12(16)19/h2,4,7,9-11,14,17-18H,3,5-6H2,1H3,(H,20,21)(H,22,23)(H3,13,15,19)
21-11(20)8(18)7(10)17/h3-20H,1-2H2
 )32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2
8)16(25)26)18-10(21)4-2-3-9(17)15(23)24/h9,11,14H,2-6,17H2,1H3,(H,18,21)(H,23,24)(H,25,26)
 -9-15)5-10-16(19)20/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20)
18(9-14-22)10-15-23(26)28-17-20-4-2-1-3-5-20/h1-5,8-9,13-14,19,21H,6-7,10-12,15-17,25H2
)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)


13-9(5)15/h2-4,6-7,10,16-17H,1H3,(H2,11,12,13)




 ,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)
6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)
9-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-16,19-20,23-26H,3-4H2,1-2H3,(H,17,21)(H,18,22)

-2-6)15(19)20/h1-4,8-10,16-17H,5H2,(H,14,18)
)8-2-4-9(5-3-8)17(21)22/h2-5,10-12,19H,6H2,1H3,(H,16,20)

9(6,18)10(8,19)20
16)9(6,18)10(8,19)20/h1,21H




15(22)23)6-11(19)14(12)21/h1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23)

48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-4
8(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39
41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31H,1,9-11H2
 40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,17,21,31H,1,9-1
37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3
4(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)
4(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)
1(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3

4,7-8,11H,1H2,(H,12,13)(H,14,15)

-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16




h1-6,8,12-14H




10-57-18(38)6-4-3-5-17(36)37)12-50-56(47,48)53-55(45,46)49-11-15-21(52-54(42,43)44)20(39)26(51-15)34-14-33-19-23(28)31-13-32-24
0H,(H,11,12)(H,13,14)
10)(H,11,12)

10-59-19(39)11-29(43)7-4-3-5-17(29)37)13-52-58(49,50)55-57(47,48)51-12-16-22(54-56(44,45)46)21(40)27(53-16)36-15-35-20-24(30)33
7(22)8-13-4-5-18(23-2)21(24-3)16(13)11-22/h4-5,9-10,17H,6-8,11-12H2,1-3H3/q+1

)(H,9,10)(H,11,12)

-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H3,10,11,15)(H2,16,17,18)
6)9(35-15)5-34-36(31,32)33-4-8(23)12(25)11(24)6(21)3-7(22)16(28)29/h1-2,6,8-9,11-15,21,23-27H,3-5H2,(H,28,29)(H,31,32)(H3,18,19,30
2)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26

6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31
6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31
6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11
75(51)57-52(84)53(39(26-76)87-57)89-90(85,86)88-29(2)25-69-47(83)18-19-59(8)36(21-44(66)80)56-62(11)61(10,24-46(68)82)35(14-17-4
 1)27(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)5
 4-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53
 35(52)64)43-48(9)47(8,21-37(54)66)28(12-15-34(51)63)40(59-48)25(3)42-46(7,20-36(53)65)26(10-13-32(49)61)30(56-42)19-31-44(4,5)2

-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3
-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-12,17H,7-9H2,1-2H3
12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)
 3(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11,22H,6-7H2,1-3H3


1-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h37-40H,5-16H2,1-4
0-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h37-40H,5-16H2,1-4
1-35(45)46)31(39-26)16-28-20(4)24(8-12-36(47)48)32(40-28)15-27-18(2)22(6-10-34(43)44)30(38-27)13-25(17)37-29/h13-16,37,40H,5-12
0-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29/h13-16,37,40H,5-12
5)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3
7(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3
7(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3
7(25)11-22)20(15,2)10-16(24)18(14)19/h12-18,22-26H,3-11H2,1-2H3
7(25)11-22)20(15,2)10-16(24)18(14)19/h12-15,17-18,22-23,25-26H,3-11H2,1-2H3
 -14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3




11-12-59-21(40)8-5-17-3-6-18(38)7-4-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34

0-36(37)41-33(27)54)18-5-3-17(4-6-18)11-20(44)28(50)21(45)12-59-35-30(52)29(51)23(61-35)13-60-63(57,58)62-22(8-10-25(48)49)32(53
1-12H,1-2H3,(H,13,14)
2H,1-2H3,(H,13,14)
 2H,1-2H3,(H,13,14)(H,15,16)




 9)16-22(33,21(31)32)15-18(28)23-11-8-13-25(34)17(2)27/h7,10,33-35H,3-6,8-9,11-16H2,1-2H3,(H,23,28)(H,24,29)(H,31,32)


 9)6-9(16)17/h20-21H,2-6H2,1H3,(H,12,15)(H,16,17)(H,18,19)

5(13(21)22)16-9(7)11(10)18/h1-2,15,17-18H,(H,19,20)(H,21,22)(H,23,24)

1(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2


9-14-7-2-1-5-12(11)14/h1-2,5,7,10,13,19H,3-4,6,8-9,17H2,(H,18,20)(H,21,22)
H,2-3H2,1H3,(H2,10,11,12)


 ,11)(H,12,13)(H,14,15)
11H,2-3,6H2,1H3,(H,12,14)
 1)(H,12,13)




12)15(18)4-5-17(18)21/h2-3,8,12-13,15-17,19-21H,4-7,9H2,1H3
-33(24,25)28-5-9-11(21)12(22)13(30-9)18-3-2-10(16)17-15(18)23/h2-3,6,8-9,11-14,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H3,16,17,23)


1-3,12,14H,(H,11,13)(H,15,16)
1(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3
1(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3
-23(37)20(36)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-19(49-51(39,40)41)18(35)24(48-15)33-13-32-17-21(27)30-12-31-22(17)33/h5

4(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)
15)2-22-23(19,20)21/h3-4,6,14-16H,1-2,10H2,(H2,19,20,21)(H3,11,12,13,17,18)
21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h15,17-18,21-25,29H,6-14,16H2,1-5H3
-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h6-8,14H,2-4,11H2,1H3,(H,12,15)(H,19,20)(H,21,22)(H2,16,17,18)
0(17)7-15(16)21-14/h2-8,17-18H,1H3

 1-3-5-9/h1-5,10H,6-8H2,(H2,14,16)(H,15,17)(H,18,19)
 )12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/h5-17,19-29H,1-4H2
0-36(37)41-33(27)54)18-5-3-17(4-6-18)11-20(44)28(50)21(45)12-59-35-30(52)29(51)23(61-35)13-60-63(57,58)62-22(8-10-25(48)49)32(53

9)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-18,20-22H,5,7H2
1(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2




2(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/p-5

-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,14H,2,4H2,1H3,(H,19,20)(H3,11,12,15)(H2,16,17,18)
 8(31-13)5-30-34(27,28)32-33(25,26)29-4-7(20)10(21)6(19)3-18/h1-2,6-8,10-13,18-23H,3-5H2,(H,25,26)(H,27,28)(H3,15,16,24)
 ,1H3,(H,12,13)

2H3,(H,10,11)

0)21)1-9(17)12(10)19/h1-4,15-19H,(H,20,21)

0H,(H,11,12)
19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)

 (24)12(32-20)8-29-19-17(27)15(25)13(23)11(7-22)31-19/h1-5,10-20,22-28H,7-8H2
 8,9)(H,10,11)
-7/h3,14H,2H2,1H3,(H3,10,12,13,16,17)

,11H,2-3,6H2,1H3,(H2,12,14,15)




H,10,11)(H,12,13)
4)4-5-29-23(38)20(37)26(2,3)10-49-55(46,47)52-54(44,45)48-9-14-19(51-53(41,42)43)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22(17
4)2-4-7/h1-4,8-17H,5H2
 6-15)20-13/h1-4,9-18H,5-6H2
22-12)5-20-23(17,18)19/h1-4,8-16H,5H2,(H2,17,18,19)
 )9(23-13)6-21-24(18,19)20/h1-4,9-17H,5-6H2,(H2,18,19,20)
 1H3,(H,11,12)
10H,1H2,(H2,11,12,13)

7(16)9(18)11(20)22-4/h3-20H,1-2H2
 6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)
H,2-3,6H2,1H3,(H,11,13)
-4-2-3-5-7-21/h8,10,21H,2-7H2,1H3,(H,12,13)(H,14,15)(H2,16,17,18)
(15)6-4-2-3-5-7-26-27-8-9-28(21,22)23/h10,12H,2-9H2,1H3,(H,14,15)(H,16,17)(H2,18,19,20)(H,21,22,23)
 -5(2-4-6)13(19)20/h1-4,7-10,12,14-16H,(H,17,18)
23)12-31-15-5-3-14(4-6-15)24(42)36-19(28(48)49)8-10-21(41)35-18(27(46)47)7-9-20(40)34-17(26(44)45)2-1-11-39/h3-6,11,16-19,31,33H
7-24)13-32-16-6-4-15(5-7-16)25(43)36-20(29(49)50)9-11-22(42)35-19(28(47)48)8-10-21(41)34-18(27(45)46)3-2-12-40/h4-7,12,17-20,32H




(H,10,11)(H,12,13)

H,8,9)(H,10,11)(H,12,13)
H2,(H,8,9)(H,11,12)(H,13,14)
 2,(H,9,10)(H,11,12)(H,13,14)
,9,10)(H,11,12)(H,13,14)


18/h1-3H,(H,15,16)(H,17,18)(H2,11,13,14)
4-5H2,(H,12,13)(H,14,15)




H,11,12)(H3,9,10,13)
24)8(14(21)22)6-11(18)19/h1-5,8,13,16-17H,6H2,(H,18,19)(H,21,22)(H,23,24)

12(20)11(19)13(21)15(16)23/h1-4,6,11-17,19-23H,5H2
38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-2
 -39-70(5)40-22-41-71(6)42-23-43-72(7)44-24-45-73(8)46-25-47-74(9)48-26-49-75(10)50-27-51-76(11)52-28-53-77(12)54-29-55-78(13)56
 30)16(34)19(37)23(43-8)45-24(5-27)20(38)13(31)9(44-24)4-40-22-18(36)15(33)11(29)7(2-26)42-22/h6-23,25-38H,1-5H2

31)15(34)18(37)22(42-9)43-19-16(35)11(30)7(2-26)41-23(19)45-24(5-28)20(38)13(32)8(3-27)44-24/h6-23,25-38H,1-5H2

38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-2
,13,15H,5-8H2,1-4H3

  6-13-10-14(18-6-17-10)20-7-19-13/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H2,16,17,18,19,20)
38-69(5)39-21-40-70(6)41-22-42-71(7)43-23-44-72(8)45-24-46-73(9)47-25-48-74(10)49-26-50-75(11)51-27-52-76(12)53-28-54-77(13)55-2
 )18)5-13(20)15(21)22/h1-4,6,19H,5H2,(H,21,22)
 ,11-13H,5-6,8-9H2,1-4H3
 H,2-4,10H2,1H3,(H,11,12)(H,13,14)(H,15,16)


9-10-57-27(41)15-3-5-16(29)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)36-14-35-19-23(30)33-13-3
4(20)13(19)12(8-18)24-16/h2-5,7,12-21H,6,8H2,1H3
5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)




 )32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2
 -18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28
 -6,8-11H,7H2,(H2,12,13,14)
 10(8(19)4-15)23-6(2)17/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)
h3-6H,1-2H3


18)3-6)15(13(12)20)25-26(21,22)23/h1-5,16-19H,(H,21,22,23)
 ,1H3,(H,11,12)
 ,(H2,9,10,11)
7H,8H2,1H3,(H2,12,13,14)/q+1
 3-21(39)9-10-34-29(43)26(42)31(4,5)15-52-58(49,50)55-57(47,48)51-14-20-25(54-56(44,45)46)24(41)30(53-20)38-17-37-23-27(32)35-16
13-8(25)5(22)3(35-13)1-34-39(30,31)38-40(32,33)37-15-9(26)6(23)7(24)10(36-15)14(28)29/h2-3,5-10,13,15,22-26H,1H2,(H,28,29)(H,30,3
75(51)57-52(84)53(39(26-76)87-57)89-90(85,86)88-29(2)25-69-47(83)18-19-59(8)36(21-44(66)80)56-62(11)61(10,24-46(68)82)35(14-17-4


 16-18(19)20/h6,8,14,21H,2-5,7,9-13,15-16H2,1H3,(H,19,20)
30)17-21(29)11-15-27(28,6)25(22)13-14-26(23,24)5/h7-8,12,18-21,23-25,29-30H,9-11,13-17H2,1-6H3
13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)
23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)


0)(H,11,12)(H,13,14)
 0)(H,11,12)(H,13,14)
6,11,13H,5H2,(H,12,14)
2(18-23)5-8-6-17-11-4-2-1-3-9(8)11/h1-4,6,10,13-17,19-23H,5,7H2
12(18-27-29(23,24)25)5-8-6-17-11-4-2-1-3-9(8)11/h1-4,6,10,13-17,19-22H,5,7H2,(H,23,24,25)

 8(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-56/h23,25,27,29,
1-3-8(7)9/h1-4,6,11H,5H2,(H,12,17)(H,13,14,15)
21-39-70(5)40-22-41-71(6)42-23-43-72(7)44-24-45-73(8)46-25-47-74(9)48-26-49-75(10)50-27-51-76(11)52-28-53-77(12)54-29-55-78(13)
1)23-3)6-9(18)7-13(17)22-2/h4-7,16,19,21H,1-3H3


 6/h1-8,12,14-16H

1)23-3)6-9(18)7-13(17)22-2/h4-7,16,19,21H,1-3H3


5-28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-70-74(66,6
3(18)12(7-17)22-16/h8-20H,4-7H2,1-3H3
 0-7-4-5-8-11-20(23)24/h12-18,21H,2-11H2,1H3,(H,23,24)
 0-7-4-5-8-11-20(23)24/h12-14,17-18,21H,2-11,15H2,1H3,(H,23,24)
 15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)
9(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-2

8)(H,10,11)(H,12,13)
8)(H,10,11)(H,12,13)
 (H,10,11)(H,12,13)


2-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h16-24,28H,5-15H2,1-4H3
3-21-6-5-19-13-20(8-10-31(19,3)22(21)9-11-32(23,26)4)39-30-29(37)28(36)27(35)25(15-34)40-30/h17-30,34-37H,5-16H2,1-4H3

 )10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26
 0(17)12(19)3-7/h1-5,13,15-20H,6H2
 6-14(11)20-15/h1-6,13,15-19H,7H2
3)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2
 -5-7-10/h3-7,9,11H,8H2,1-2H3,(H,15,17)(H,18,19)
 37)4-5-30-25(41)22(40)27(2,3)11-50-56(47,48)53-55(45,46)49-10-16-21(52-54(42,43)44)20(39)26(51-16)34-13-33-19-23(28)31-12-32-24
21)13(28)15(6(3-24)32-18)34-17-8(20)11(26)10(25)4(1-22)31-17/h4-18,22-29H,1-3,19-21H2
 1)45)32(48)37-15-7-17-40(16-6-14-36-31(47)20-8-3-11-23(41)28(20)44)35(49)27-19(2)51-34(39-27)22-10-5-13-25(43)30(22)46/h3-5,8-1
 10-57-27(41)15-3-5-16(36)6-4-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33
27)5)44(4)12-10-25(53)16-24(44)17-29(34)54)6-9-33(57)76-15-14-47-32(56)11-13-48-41(60)38(59)43(2,3)20-69-75(66,67)72-74(64,65)68
 17)18/h7,11,14H,5-6,8-10H2,1-4H3,(H,17,18)
1-2H3,(H,10,11)(H,12,13)
9-10-62-20(42)6-4-3-5-18-21-16(12-63-18)38-30(46)39-21)13-55-61(52,53)58-60(50,51)54-11-17-24(57-59(47,48)49)23(43)29(56-17)40-1
 16(2,15(24)26-19)12(19)11(17)14(22)23/h9-13,20-21,25H,1,3-7H2,2H3,(H,22,23)

13)14/h1-9,13,15-16H,10H2
13)14/h1-9,15H,10H2
-9-7-8-11-14-20(22)23/h6-7,9-10,15-19,21H,2-5,8,11-14H2,1H3,(H,22,23)
-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)

0-16-29(5)21-32(50)69-20-19-43-31(49)17-18-44-39(53)36(52)41(6,7)23-62-68(59,60)65-67(57,58)61-22-30-35(64-66(54,55)56)34(51)40
0-11-57-20(38)12-17-6-4-3-5-7-17)14-50-56(47,48)53-55(45,46)49-13-18-23(52-54(42,43)44)22(39)28(51-18)36-16-35-21-25(30)33-15-34
 6-56-15(35)7-12(33)24(39)40)9-49-55(46,47)52-54(44,45)48-8-13-18(51-53(41,42)43)17(36)23(50-13)32-11-31-16-20(26)29-10-30-21(16
9-18(32(53)54)6-4-5-10-35)36-29(51)15(2)61-27-23(37-16(3)43)33(63-19(12-42)25(27)48)64-67(58,59)65-66(56,57)60-13-20-24(47)26(49
 3)24)2-1-7-19-15(17)18/h3-6,11-12,21H,1-2,7-8,16H2,(H,20,22)(H,23,24)(H4,17,18,19)
3-4-3-9(16)17/h6-7,21H,1-5,12H2,(H,13,18)(H,14,15)(H,16,17)(H,19,20)
 8-27(9-28)12-3-1-10(2-4-12)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,9,13H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,22,25,26,32)
H,6-7H2,(H,11,14)(H,12,13)
 11,12)13/h7-8H,4-6H2,1-3H3,(H,14,15)(H2,11,12,13)




 -34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19
 -34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42
 31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,35H,3-16,19-34H2,1-2H3,(H2,40,41,4
 31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,28,30,35H,3-16,19-27,29,31-34H2,1-
 31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11,13,17-18,28,30,35H,3-10,12,14-16,19-2
 31-36(38)43-33-35(34-44-46(40,41)42)45-37(39)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,28,30,35H,3-4,6,8-10,12,14
 31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-18,36-37,40-4
 31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h17-19,22,36-37,4
 31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h11-14,17-19,22,3

 31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,
5)42-36(37)41-31)38-18-5-3-17(4-6-18)11-20(45)28(51)21(46)12-60-35-30(53)29(52)23(62-35)13-61-64(58,59)63-22(8-10-25(49)50)32(54
1,12)(H4,8,9,10)
4(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3
15)16/h1-6H,(H2-,12,14,15,16)/p+1

21-11(20)8(18)7(10)17/h3-20H,1-2H2

5H2,(H,12,13)
32-12)3-31-36(27,28)35-37(29,30)34-14-10(23)7(20)8(21)11(33-14)13(24)25/h1-2,4,6-12,14,19-23H,3H2,(H,24,25)(H,27,28)(H,29,30)(H,1
-38-68(5)39-21-40-69(6)41-22-42-70(7)43-23-44-71(8)45-24-46-72(9)47-25-48-73(10)49-26-50-74(11)51-27-52-75(12)53-28-54-76(13)55
10)(H,11,12)
 (37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4,12


33)19(37)23(6-28,44-11)39-3-10-12(30)16(34)17(35)21(41-10)45-24(7-29)20(38)14(32)9(2-26)43-24/h8-21,25-38H,1-7H2
17(2,16(24)25)12(9)13(18)15(22)23/h5,10,12-14,21,26H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)

0(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2


 10H2,(H,12,13)

 ,(H,11,12)(H,13,14)

H2,(H,12,13)
2-3,5,7-8,10H,1H2,(H,11,12)(H2,13,14,15)

 2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)
H,5H2,(H2,11,13)


0,11)(H,12,13)
H,(H,13,14)(H,15,16)




0,11)(H,12,13)




 2,16(23)24)13(11)14(18)15(21)22/h5,12-14,25H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)
4,6,12H,3,10H2,(H,13,14)(H,15,16)
4,6,12H,3,10H2,(H,13,14)(H,15,16)




-9,11H,1-2H2,(H2,12,13,14)


0)9(40-17)6-39-42(36,37)38-5-8(27)13(29)16-12(23-11(28)4-25)7(26)3-20(35,41-16)18(32)33/h1-2,7-9,12-17,25-27,29-31,35H,3-6H2,(H,2

9-57-27(41)15-4-3-5-16(36)10-15)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33

21,22)5)26(4)13-11-20(28)15-19(26)16-24(25)29/h16-18,20-25,28-29H,6-15H2,1-5H3
11,14H,5H2,(H,12,13)


-20(14,2)18(16)9-11-21(17,19)3/h12,16-19H,4-11H2,1-3H3
13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3
21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)
1-3,6,9,12,14H,(H,11,13)(H,15,16)
9H,4-5H2,1H3
10H,3,5,7H2,1H3
1(19)12(20)14(24-15)16(22)23/h2,4,7-8,10-15,19-21H,3,5-6H2,1H3/p+1
2)11(20)12(21)14(25-15)16(23)24/h2-3,6-7,9,11-15,20-22H,4-5H2,1H3/p+1

4H2,(H,11,12)

,6,8-9,13H,5H2,1H3
,6-7,14H,4-5H2,1H3
2(21)10(19)11(20)13(26-16)15(23)24/h2-4,6,8-13,16,19-21H,5H2,1H3,(H,23,24)
-12-18(28)17-13-19(29)20(30)14-24(17,3)15(16)6-10-25(21,27)4/h12,15,17,19-22,29-34H,6-11,13-14H2,1-5H3
 1)(H,12,13)




 /h9-10,16H,3-8H2,1-2H3,(H2,13,14)




1-3H2,(H,9,10)(H,12,13)(H,14,15)
7(25)11-22)20(15,2)10-16(24)18(14)19/h9,12,14-15,18,22,26H,3-8,10-11H2,1-2H3
7(25)11-22)20(15,2)10-16(24)18(14)19/h9,12,14-15,18,22,26H,3-8,10-11H2,1-2H3




-16H,2-13H2,1H3
(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3


2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)

2-9(17)10(18)3-7/h1-6,16-19H




 18)14(20)10(19)2-6/h1-5,16-20H
-5H2,(H,10,11)(H,12,13)(H,14,15)

 17)12(19)5-8/h1-7,16-17,19-21H


15(13)19/h1-9,16-17,19H
(H,7,8)(H,9,10,11)
H,2-5,10H2,1H3,(H,12,13)(H,14,15)
15(12)19-14/h1-7,14,16-17H,8H2
,9H2,(H,11,12)(H,13,14)
3-4-8(16)17/h6-7,15H,1-5H2,(H,16,17)(H,18,19)(H,20,21)(H4,12,13,14)
5-6,13H,2-4H2,1H3,(H,14,15)(H,16,17)(H4,10,11,12)




 4(13)15(11)19/h1-7,16-18H
27-75(74)40-22-38-34(12-15-41(63)77)60(9,23-45(67)81)55(71-38)32(5)50-36(14-17-43(65)79)61(10,24-46(68)82)62(11,73-50)56-37(21-
6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-14,18,22-25H,5-6H2,1-2H3,(H,20,26,27)
 1(13)21-15(12)20/h1-6,12,15-18,20H
79-13-21-29(85-89(65,66)67)27(59)39(83-21)55-19-53-25-33(43)49-17-51-35(25)55)31(61)37(63)47-7-5-23(57)45-9-11-95-96-12-10-46-2

 3-9H2,1-2H3/p+1
 0H,3-8H2,1-2H3/p+1
 ,6-7,9H,4-5H2,1H3
3,5H2,1H3/q+1
13H,3,5,7H2,1H3
 ,5-6,9,13H,3-4,7H2
H,3,5-6H2,1H3
 ,(H,10,11)(H,12,13)(H,14,15)
 4H2,(H2,10,13)
7H,4-5H2,1H3,(H,11,14)
H2,(H,12,13)
 H,3-4H2,(H,12,13)


,(H,9,10)(H,11,12)(H,13,14)


-7-8-67-68-11-16(27(48)36-9-20(44)45)40-19(43)4-3-15(32)30(50)51)12-60-66(57,58)63-65(55,56)59-10-17-23(62-64(52,53)54)22(46)29(

1(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3




-1-3-7-10/h1-9,17H

 -2-12-9(5)18/h1-4,6-7,10,16-17H,(H,11,12,18)




 )16/h1-7,15H
3-6-11-14(12)16(23)10-5-2-1-4-9(10)15(11)22/h1-7,13,17-21,24-26H,8H2
-21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,23,28,31-33H,6-11,13-14H2,1-5H3
h5-7,16H,2-4H2,1H3,(H2,11,12,13,14,15)
7)18/h7-10H,2-6,13H2,1H3,(H,15,16)(H,17,18)


-4-11(17)5-3-10/h2-9,17H,1H3


 H,1-4H2,(H,10,11)(H,13,14)(H,15,16)
12(17)6-3-11/h2-10,17-18H,1H3


2-4,7-9H,1H2,(H,11,12)(H2,13,14,15)
-27-19(12)17)11-4-3-10(21)7-14(11)22/h3-4,7-8,13,21-24,26H,5-6,9H2,1-2H3
2-4-12(15)16(13)19/h2-7,13,17-18H,8H2,1H3
6(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3

19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3
-13(24)16-14(6-11)29-8-12(17(16)25)9-1-3-10(23)4-2-9/h1-6,8,15,18-24,26-28H,7H2
)19(15)20(13)30)36-24-23(33)22(32)21(31)16(37-24)9-35-18(29)7-17(27)28/h1-6,8,16,21-26,31-33H,7,9H2,(H,27,28)

6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2
16)20(15)29)35-24-23(32)22(31)21(30)17(36-24)10-34-19(28)8-18(26)27/h1-7,9,17,21-25,30-32H,8,10H2,(H,26,27)

31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)
2-4-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3
4(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)

1H3,(H,12,13)

H,2-16H2,1H3
h5-9,15H,1-4H3
h5-9,12,15-16H,1-4H3
 10/h4-7,9,15-16H,8H2,1-3H3
h5-9,12,15-16H,1-4H3

2,(H,11,14)(H,12,13)




 13(12)21-16(14)19/h2-8,14,16-17,19H,1H3
16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3
16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3
9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
1)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3
1)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3
3-12(20,3-15)10(9)19/h4-11,13-20H,1-3H2/p+1


H2,(H,9,10)(H,11,12)(H,13,14)


9,10)(H,11,12)




 h8,10,13,17H,2-7H2,1H3,(H,12,14)(H,15,16)
 14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)

6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2
0,12-14H,2H2,1H3,(H,9,11)
7(16)9(18)11(20)22-4/h3-20H,1-2H2

0)8(19)6(3-15)22-12/h4-21H,1-3H2
2-8)4-31-36(27,28)35-37(29,30)34-15-11(22)9(20)10(21)12(33-15)14(24)25/h3,6-12,15,19-22H,2,4H2,1H3,(H,24,25)(H,27,28)(H,29,30)(H,

 1H3,(H,11,12)




11,13-15H,2-3H2,1H3,(H,9,12)




 12(19)15(14)16(10)20/h2-7,17-19H,1H3
1,12)(H,13,14)




13-15(5-9)21-8-20-13/h1-7,17H,8H2
 5-12(10)18)22-7-21-14/h1-6,17-18H,7H2

 5-12(10)18)22-7-21-14/h1-5,11,17-18H,6-7H2
 14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2
4,5)(H2,6,7,8)(H,9,10,11)
8(7)12(14)18/h1-4,9H,5-6H2,(H,15,16)(H,19,20)




10,12-14H,2H2,1H3,(H,9,11)(H,15,16)


18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)
 1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)
 6)19-10)20-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)
)6(3(1-16)22-9)23-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)
3(1-16)20-9)21-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)

 (14)4(3-13)19-8/h1-2,4,6-8,13-14H,3H2,(H3,10,11,15)(H2,16,17,18)
)20-21(16,17)18/h1,4,6-8,13-14H,2-3,10H2,(H,11,15)(H2,16,17,18)
-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H3,10,11,14)
,(H2,10,11,12)

 -5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)
 -5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)
5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)
-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H,10,12,14)
/h1-4,8H,5,10H2,(H,11,12)(H2,13,14,15)


8)20-21(16,17)18/h5-8,13H,2-4H2,1H3,(H,11,14,15)(H2,16,17,18)
7-20(15,16)19-6/h5-8H,2-4H2,1H3,(H,15,16)(H,11,13,14)


8H2,(H,9,10)(H,11,12)
 (H,8,9)(H,10,11)

-7/h3,15H,2H2,1H3,(H4,10,11,13,14,17)
H,1-3,8-9H2,(H,10,11)(H,12,13)


6-19-24-20(14-22(30)26(18,19)3)25(2)9-8-17(28)12-16(25)13-21(24)29/h15-22,24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)
25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34)


 66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)7
 57-33(21(51)15(26)45)64-28-10(4-40)59-35(23(53)17(28)47)66-30-12(6-42)60-36(24(54)18(30)48)65-29-11(5-41)58-34(22(52)16(29)46)6
0)75-43(27(67)19(34)59)84-36-12(4-52)77-45(29(69)21(36)61)86-38-14(6-54)79-47(31(71)23(38)63)88-40-16(8-56)80-48(32(72)24(40)64
 )6(3-14)20-11/h1,4-11,13-19H,2-3H2
21-11(20)8(18)7(10)17/h3-10,12-19H,1-2H2
5,11-12H,3,9H2,(H,13,14)

15)7(17)9(19)11(21)22/h3-10,12-20H,1-2H2,(H,21,22)




(20)7(17)5(2-14)22-12/h4-7,9-11,13-17,19-20H,1-3H2
17)18)6(34-44(27,28)36-42(22,23)24)5(3(1)31-39(13,14)15)33-43(25,26)35-41(19,20)21/h1-6H,(H,25,26)(H,27,28)(H2,7,8,9)(H2,10,11,12)
17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,1
6(23,24)30-35(20,21)22)5(28-34(17,18)19)3(1)26-32(11,12)13/h1-7H,(H,23,24)(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20


9-54-59-82(114)131-73(58-53-48-43-38-30-25-20-15-10-5)63-81(113)102-85-93(134-83(115)61-71(106)56-51-46-41-36-28-23-18-13-8-3)




0/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)
h1-10H2,(H,13,16)(H,14,15)


7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,23-26H,7-8,10-17H2,1-6H3
 20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2
20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h7,17-19,21-26,29-30H,8-16H2,1-6H3
2-8-21-14)6-13(11)23-16(10)17/h2-6,16,18H,7-8H2,1H3
20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h16-19,22-26,30H,7-15H2,1-6H3
20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-20,22-26,30H,7-16H2,1-6H3




/h2-7,13H,1H3,(H,15,16)/p-1
-8-23)32-17-25-18-33-26(22-5-3-2-4-6-22)34(25)20-28-12-11-27-19-28/h2-12,19,25-26H,13-18,20H2,1H3
4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H3,11,12,15)(H2,16,17,18)
23)7(24)4(16)2-21-22(18,19)20/h3-4,13,16,23-24H,1-2H2,(H2,18,19,20)(H4,11,12,14,15,17)
 -18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3

11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)

 -16-10-17-9-13/h4-11,18H,2-3H2,1H3
-7-15-6-16-17/h3-7,11,18H,1-2H3
11-22-14-8-5-4-6-9-14/h4-6,8-9,12-13,15-16,21H,7,10-11H2,1-3H3

,9)(H,10,11)


6-4-10(15)5-7-11/h4-9,13H,1-3H3
-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)

21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h18,20-21,23-25,27,30H,3,8-17H2,1-2,4-7H3

21(5)27(30)15-17-29(24,7)26(22)14-16-28(23,25)6/h10,18,20-21,23-27,30H,3,8-9,11-17H2,1-2,4-7H3
 )9-10/h3-6,9,16-17H,1-2,7-8,14H2,(H,15,18)
1)22)7-12(18)15(13)20/h1-7,12-13,15,17-18,20H,8H2,(H,21,22)
14)30-16(12)6-10)29-22-20(26)19(25)18(24)17(8-23)31-22/h2-7,14,17-26H,8-9H2,1H3
(15)36-17(13)6-11)35-25-23(31)22(30)21(29)18(37-25)10-34-20(28)8-19(26)27/h2-7,15,18,21-25,29-31H,8-10H2,1H3,(H,26,27)
25-21(5)28(31)16-18-30(25,7)27(23)15-17-29(24,26)6/h8,11,19-21,24-28,31H,9-10,12-18H2,1-7H3
2-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,11,19-20,22-23,25-27,30H,8-10,12-18H2,1-6H3
2-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10-11,19-20,23,25-27,30H,8-9,12-18H2,1-6H3
2-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h7,10,19-20,23-27,30H,8-9,11-18H2,1-6H3
 22)12(20)11(19)13(21)15(23)24/h2-6,11-14,19-22H,1H3,(H,17,18)(H,23,24)
 4-11(9)10(19)7(18)4-15/h7-11,15,18-19,22H,3-4H2,1-2H3,(H,14,16)(H,20,21)
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,20,22-26,29H,7-8,10-17H2,1-6H3
2-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,20,23-27,30H,7-9,11-18H2,1-6H3
2-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3
19)7-17(24,16(22)23)8-12(15)20/h2-6,11-12,15,18-20,24H,7-8H2,1H3,(H,22,23)
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3
2-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3
0-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3
H2,(H,7,8)(H,9,10,11)
1(4)24(30)13-15-28(23)18-29(25,28)17-16-26(22,27)5/h19-25,30H,7-18H2,1-6H3
21(4)26(30)15-16-27(23,5)24(25)14-18-28(22,29)6/h19-23,26,30H,8-18H2,1-7H3
4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h13,18-20,22-23,26,29H,7-12,14-17H2,1-6H3
4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h18-20,22-24,26,29H,7-17H2,1-6H3
4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h10,18-20,22-26,29H,7-9,11-17H2,1-6H3
1(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h10,18-21,23-25,28H,6-9,11-17H2,1-5H3
1(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9-10,18-19,21,23-25,28H,6-8,11-17H2,1-5H3
 7)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3
)(H,9,10)(H,11,12)
19-10)15-12(22)11(21)9(31-15)5-30-35(26,27)33-36(28,29)32-34(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,26,27)(H,28,29)(H,1
 (7-19-10)15-12(23)11(22)9(32-15)5-31-36(27,28)34-37(29,30)33-35(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,29,30)(H
19-10)15-12(22)11(21)9(29-15)5-28-32(26,27)30-31(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,26,27)(H,16,17,18)(H2,23,24,25)
 (7-19-10)15-12(23)11(22)9(30-15)5-29-33(27,28)31-32(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,27,28)(H,16,17,18)(H2,24,25,26
-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)
-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)
 0)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)
 9-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)
6H,4H2,1-2H3,(H2,11,12,13,14,15)
16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)
h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)
2H3,(H,9,10)(H2,6,7,8)
4H,5H2,(H,11,12)(H,13,14)(H,15,16)
2-10-13(3-9)27-7-12-11-4-15-16(29-8-28-15)5-14(11)31-21(10)12/h1-5,12,17-26H,6-8H2
)25(38-18)36-10-1-2-11-14(3-10)32-7-13-12-4-16-17(35-9-34-16)5-15(12)37-24(11)13/h1-5,13,18,21-25,29-31H,6-9H2,(H,26,27)
4(17)18/h1-9H,(H,15,16)(H,17,18)
2H2,1H3,(H,9,10)(H,11,12)(H,13,14)
 )8-14(15(10)17(19)22)21(13)18(9)23/h3-6,9-10,13-18,20,22-23H,2,7-8H2,1H3
 7)2)9-15(16(11)18(20)23)22(14)19(10)24/h4-7,10-11,14-19,23-24H,3,8-9H2,1-2H3
 0-19(14)18(21)6-12(10)15(17)9-22/h2-5,12,15,17-18,20,22-23H,6-9H2,1H3
10,13)(H,11,12)

23)14(6)20(25)15(7)21(26)27-16/h10-16,18-20,23-25H,8-9H2,1-7H3
2-4-12(15)16(13)19/h2-7,13,16-19H,8H2,1H3/p+1
7-16(10)20-9-11/h2-8,11,17-18H,9H2,1H3/q+1
2-4-12(15)16(13)19/h2-7,13,16-18H,8,19H2,1H3
7-16(10)20-9-11/h2-8,11,17-18H,9H2,1H3
47)50-38-28-34-36(45)27-33-32(41(34,5)29-37(38)46)21-25-42(6)31(22-26-43(33,42)49)30(2)35(44)23-24-40(3,4)48/h27,30-32,34-35,37
6)8-4-10/h1-8,13H
 25)21-18(23)15-10-5-2-6-11-15/h1-6,8-11,16H,7,12-13H2,(H,20,22)(H,21,23)(H,24,25)
-4-11(17)5-3-10/h2-9,17-19H,1H3
 6-14(15)20-13/h1-7,16-18H
H,9,10)(H,11,12)


 11/h1-9,15-17H
 (14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3
/h1-10,15-16H
10H,7H2,1H3,(H,12,13)(H,14,15)

 10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)

0)19-15(11)12/h1-6,12,15-17H,7H2
)15-7-4-12(21)9-17(15)25-19(14)20/h3-4,6-9,19,21-23H,5,10H2,1-2H3
)15-6-5-13(21)8-18(15)25-19(14)20/h3,5-9,19,21-23H,4,10H2,1-2H3
(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3
(22)14-4-3-12(21)8-17(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3
(22)14-4-3-12(21)7-18(14)25-19(13)20/h3-5,7-8,15,19,21-22H,1,6,9H2,2H3
6-3(11-10(14)19)7(17)13-9(18)12-6/h2-6,8,15-16H,1H2,(H,11,19)(H2,20,21,22)(H2,12,13,17,18)
,2H2,1H3,(H2,9,10,11)
h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)
 9-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)
-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)
-13)12(18)19/h1-4,7-11,14-17H,5H2,(H,18,19)

 14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2
10H,1H2,(H2,11,12,13)


 21(15,16)17/h4-14H,1-3H2,(H2,15,16,17)

 5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
 (6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3
 9(10-8-18)20(4,5)6/h15-19H,7-14H2,1-6H3
1-19(3)17-20/h18-19H,4-17H2,1-3H3
 -6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,11-15H,4,9-10H2,1H3
0,21)19-12-4-2-1-3-11-18/h5-10,19H,1-4,11-12,18H2
2-10-17)14-26-16-20-6-2-4-8-22(20)24/h1-8,17-18,25-26H,9-16H2
 27(30,23-10-6-21(3)7-11-23)20-22-8-14-25(28)15-9-22/h21-26,30H,4-20H2,1-3H3
18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
 4-7)12(18)19/h1-4,8-11,13-17H,5H2,(H,18,19)
 4)15(29)18(4-21,33-7)34-17-14(28)12(26)9(23)6(2-20)32-17/h5-17,19-29H,1-4H2
22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3
20(28)12-14-25(19,2)24(21)13-15-26(22,23)3/h8,18,20-24,28H,6-7,9-17H2,1-5H3
5(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3

20)11(19)9(4-17)23-14/h2,9,11-14,16-21H,3-5H2,1H3
)5(2-11)20-9/h4-14H,1-3H2,(H2,15,16,17)
4(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3
15(17)21(16)29)36-25-24(32)23(31)22(30)18(37-25)11-35-20(28)9-19(26)27/h2-8,10,18,22-25,30-32H,9,11H2,1H3,(H,26,27)
24)17(15)18(13)25)31-22-21(28)20(27)19(26)16(8-23)32-22/h2-7,9,16,19-24,26-28H,8H2,1H3
26)20(16)21(14)30)37-25-24(33)23(32)22(31)17(38-25)10-36-19(29)8-18(27)28/h2-7,9,17,22-26,31-33H,8,10H2,1H3,(H,27,28)
-3-8(18)2-11(19)16(15)17(10)20/h2-5,10,18-19H,6-7H2,1H3
16-3-9(2-12(25)18(16)19(11)26)34-23-22(29)21(28)20(27)17(6-24)35-23/h2-5,11,17,20-25,27-29H,6-8H2,1H3
17-3-10(2-13(27)21(17)22(12)31)40-26-25(34)24(33)23(32)18(41-26)8-37-20(30)6-19(28)29/h2-5,12,18,23-27,32-34H,6-9H2,1H3,(H,28,2
2-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,21-22,25-26,31-32H,8,10-19H2,1-7H3
8)5-13(19)16(15)17(12)20/h3-7,12,18-19H,8H2,1-2H3
8(2-5-9)3-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)
(5-14(25)18(16)19(13)26)33-23-22(29)21(28)20(27)17(8-24)34-23/h3-7,13,17,20-25,27-29H,8-9H2,1-2H3
(5-15(27)21(17)22(14)31)39-26-25(34)24(33)23(32)18(40-26)10-38-20(30)8-19(28)29/h3-7,14,18,23-27,32-34H,8-10H2,1-2H3,(H,28,29)
2-25-27(4,5)26(32)15-16-28(25,6)23(24)13-17-29(22,30)7/h9,19,21-22,25-26,32H,8,10-18H2,1-7H3
1-12-24-27(4,5)25(32)14-15-28(24,6)21(22)13-16-29(23,30)7/h9,18,20,23-26,32-33H,8,10-17H2,1-7H3
(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,20,22-23,25-26,30-31H,7,9-18H2,1-6H3
(5,24(21)14-16-27(22,23)4)17-15-26(31)29(25,6)18-30/h8,18,20,22-23,25-26,31H,7,9-17H2,1-6H3
(5,23(20)14-16-27(21,22)4)17-15-25(30)29(24,6)26(31)32/h8,19,21-22,24-25,30H,7,9-17H2,1-6H3,(H,31,32)
4)26(29)15-17-28(23,6)25(21)14-16-27(22,24)5/h8,19-20,22-24H,7,9-17H2,1-6H3
17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,19,21-24,26,29-30H,6,8-17H2,1-5H3
(17)5(16)7(18)9(11)20/h2-21H,1H2
17-29)26(30)14-16-28(24,5)25(20)13-15-27(22,23)4/h7,17,19,21-24,26,30H,6,8-16H2,1-5H3
1(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,19-20,23-24H,6,8-17H2,1-5H3

2-31(42)52-33-32(43)38(53-34(35(44)45)39(50,36(46)47)40(33,54-38)37(48)49)23-13-21-30(51-27(3)41)26(2)24-29-18-8-5-9-19-29/h4-10
14)22-10)7-4-5-21-17(7)23-11/h1-3,6-7,17-19H,4-5H2
 )16(20)14-9(19)3-2-4-10(14)23-17/h2-4,7-8,18-19H,5-6H2,1H3
 -14(18(16)24-11)9-6-7-23-19(9)25-13/h3-5,8-9,19H,6-7H2,1-2H3
 (18(15)26-17(10)14)8-5-6-24-19(8)25-12/h3-8,19-20H,1-2H3
 1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)
5(14)19)7-4-5-21-17(7)23-10/h1-7,17-19H
 )16(22)14-9(21)6-12(24-2)17(25-3)19(14)28-18/h4-8,20-21H,1-3H3
 )7-2-3-9(18)12(7)16(19)23-15/h4-6,8,17H,2-3H2,1H3
 -21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)
13(17)16(19)20/h3-6,9,13,18H,7-8,17H2,1-2H3,(H,19,20)
 0)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)
 0)16-13(25)12(24)11(23)9(5-22)26-16/h3,6-7,9,11-13,16,22-25H,4-5H2,1-2H3,(H,17,18,19)
 6-11/h1-5,7-8H,6H2,(H2,13,14,15,16,17)
 2-17-12(23)16(20-8-21-17)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)
 2-12-16(20-8-21-17(12)23)19-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-15,18,24-27H,6-7H2,(H,19,20,21)
 h1-3,5-6H,4H2,(H2,11,12,13,14,15)
12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)
15-10(21)14(18-6-19-15)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)
10-14(18-6-19-15(10)21)17-4-8-2-1-3-26-8/h1-3,6-7,9,11-13,16,22-25H,4-5H2,(H,17,18,19)
 1(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)
 0-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)
 5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)
 1(10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)
 0-10)16-13(26)12(25)11(24)9(5-23)27-16/h6-9,11-13,16,22-26H,2-5H2,1H3,(H,17,18,19)
 5-26-16-13(25)12(24)11(23)9(4-22)27-16/h6-9,11-13,16,22-25H,2-5H2,1H3,(H2,17,18,19,20,21)
 1(10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)
 0-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)

 5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)
 -22)2-3-23-19-12-20(25-7-24-19)27(8-26-12)21-17(34)15(32)13(30)10(4-28)37-21/h7-11,13-18,21-22,28-35H,2-6H2,1H3,(H,23,24,25)
 -22)2-3-23-19-12-20(25-7-24-19)27(8-26-12)21-17(34)15(32)13(30)10(4-28)37-21/h2,7-8,10-11,13-18,21-22,28-35H,3-6H2,1H3,(H,23,24,
 -9(15)12(20)21/h7-9,14H,1-6,13H2,(H,16,17)(H,18,19)(H,20,21)
26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H
9(22-36-39(34,35)37-38(31,32)33)30(28,8)20-12-19-26(6)16-10-14-24(3)4/h13-14,17,19,21,28-29H,9-12,15-16,18,20,22H2,1-8H3,(H,34,3

 11/h6,10-11,13-14,16-17H,1,5,7-8H2,2-4H3
h6,11-12,14,16H,1,5,7-9H2,2-4H3
h7,11-12,14,16H,1,5-6,8-9H2,2-4H3
 -13H,1,5-8,10H2,2-4H3
 (H,7,8)(H,9,10,11)
84)69(13)25-38(77)71(15)48(29(5)6)61(88)89)65-55(82)44(33(11)75)67-53(80)35-22-21-31(9)51-46(35)64-47-40(41(63)50(79)32(10)52(4
H,8,10)(H,11,12)


26(30)31)24(29)14-16-28(23,5)22(19)13-15-27(20,21)4/h7,18,20-21,23-25,29H,6,8-16H2,1-5H3,(H,30,31)
-14H,1,5,7-10H2,2-4H3

31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(17)7(2)30-15/h4,7-13,15,20-22H,3,5,17H2,1-2H3,(H,25,26)(H,27,28)(H,18,23,24)
h7,12-13H,1,5-6,8-9H2,2-4H3

 6-1-2-8(17)9(18)3-6/h1-5,14-19,21H
 16/h7,11-12,16H,1,4-6,8-9H2,2-3H3
 16/h9,11-13H,1,4-8H2,2-3H3
 16/h9,11-14,17H,1,4-8H2,2-3H3
5)8-16/h8,10-14,17-18H,1,4-7H2,2-3H3
/h9-10,13-16H,1,4-7H2,2-3H3
5)8-16/h10-14,16-18H,1,4-8H2,2-3H3

9(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)
 17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)
3-20(17,18)5/h6,8,14,16-18H,1,7,9-13H2,2-5H3
1-8-15(14)13-20/h12,15-17H,5-11,13H2,1-4H3
2-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3
2-20(16,17)5/h6,8,16-17H,1,7,9-14H2,2-5H3
5,11H2,(H,14,15)


8-18(3,16(24)25)14(17)13(19)15(22)23/h11-14,21,26H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)




-7H2,(H,8,9)(H,10,11)
5)4-8(18)11(19)12(10)20/h1-4,14-20,22H
3(26)22(24)21-30-31(27,28)29-20-19-25(2,3)4/h17-18,22-23,26H,5-16,19-21,24H2,1-4H3/p+1
 6(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)
 (21)1-4(20)15(14(16)29)32-17-11(26)8(22)9(24)7(3-23)31-17/h4-18,23-29H,1-3,19-22H2
20)1-5(21)16(14(15)29)33-18-13(28)8(22)10(25)7(3-24)31-18/h4-18,24-29H,1-3,19-23H2
2-23)31-18)14(29)15(4)32-17-9(22)12(27)11(26)7(3-24)30-17/h4-18,23-29H,1-3,19-22H2
 (3-23)31-18)14(29)15(4)32-17-11(26)8(21)9(24)6(2-22)30-17/h4-18,22-29H,1-3,19-21H2
8,39)50-22-19(36)17(34)13(30)8(4-27)47-22)48-21(12)49-54(42,43)51-53(40,41)45-5-9-15(32)18(35)20(46-9)26-3-2-11(29)25-23(26)37/h
30(35)36)17(48)11(41-29(33)34)18(49)19(21)50)60-27-13(37-2)22(16(47)9(3-44)58-27)61-62(53,54)55-4-10-15(46)20(51)26(57-10)43-7-

27)14(26)12(33-18)7-32-34(30,31)24-11(19(28)29)6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,26-27H,6-7H2,(H,28,29)(H2,20,21,22)(H2,2
25)12(24)10(31-16)5-30-32(28,29)22-9-4-2-1-3-8(9)17(26)27/h1-4,6-7,10,12-13,16,24-25H,5H2,(H,26,27)(H2,18,19,20)(H2,22,28,29)
7)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H3,12,19,20)
1H3,(H2,10,11,12)
11(21)3-4-13(17)19(15)23-18(12)14/h3-9,15,19,21H,10H2,1-2H3
21)4-6-15(18)20(16)24-19(13)14/h3-4,6-9,16,20-22H,5,10H2,1-2H3




11-12H,5H2,(H,14,15)
,(H2,9,10,11)




(19,20)25-28(21,22)24-26(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H,21,22)(H2,16,17,18)
,7,8)(H3,9,10,11,12)




 ,(H2,10,11,12)
15/h1,4-7,12-14H,2H2,(H2,10,11,15,16)
 7(23)24)14(12)15(19)16(21)22/h5,10,13-15H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)

H3,(H,7,8)(H2,10,11,12)

 17(23)24)15(18)14(21)16(20)22/h12-16,21-22H,1,4-10H2,2-3H3,(H,23,24)
 h1-4,6-9H,(H,10,11)(H2,12,13,14)
-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16
(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-4
(24-28(18,19)20)4(1)22-26(12,13)14/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-4

10)(H,11,12)
 6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)
-12-13-58-21(39)9-8-18-6-4-3-5-7-18)15-51-57(48,49)54-56(46,47)50-14-19-24(53-55(43,44)45)23(40)29(52-19)37-17-36-22-26(31)34-16
 2-9-8-20-18-21(30)13-15-27(20,5)25(22)14-16-28(23,24)6/h19-25,30H,7-18H2,1-6H3
 h1-4,6-9H,(H,10,11)(H2,12,13,14)
 62-81(16)61-32-60-80(15)59-31-58-79(14)57-30-56-78(13)55-29-54-77(12)53-28-52-76(11)51-27-50-75(10)49-26-48-74(9)47-25-46-73(8
 -18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)
 (36,37)38)10(31)6(3-29)40-17)18(39-5)41-14-8(28-20(24)25)11(32)7(27-19(22)23)12(33)13(14)34/h4-18,26,29,31-35H,3H2,1-2H3,(H4,22
0-11-59-21(40)12-18(38)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34
0-11-59-21(40)12-18(38)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34
 7-57-24(40)26(3,41)8-15(35)36)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(37)23(51-13)33-12-32-16-20(27)30-11-31-21

39-22-40-74(5)41-23-42-75(6)43-24-44-76(7)45-25-46-77(8)47-26-48-78(9)49-27-50-79(10)51-28-52-80(11)53-29-54-81(12)55-30-56-82(1
39-22-40-75(5)41-23-42-76(6)43-24-44-77(7)45-25-46-78(8)47-26-48-79(9)49-27-50-80(10)51-28-52-81(11)53-29-54-82(12)55-30-56-83(1
39-22-40-76(5)41-23-42-77(6)43-24-44-78(7)45-25-46-79(8)47-26-48-80(9)49-27-50-81(10)51-28-52-82(11)53-29-54-83(12)55-30-56-84(1
39-22-40-77(5)41-23-42-78(6)43-24-44-79(7)45-25-46-80(8)47-26-48-81(9)49-27-50-82(10)51-28-52-83(11)53-29-54-84(12)55-30-56-85(1
39-22-40-78(5)41-23-42-79(6)43-24-44-80(7)45-25-46-81(8)47-26-48-82(9)49-27-50-83(10)51-28-52-84(11)53-29-54-85(12)55-30-56-86(1
39-22-40-79(5)41-23-42-80(6)43-24-44-81(7)45-25-46-82(8)47-26-48-83(9)49-27-50-84(10)51-28-52-85(11)53-29-54-86(12)55-30-56-87(1
39-22-40-80(5)41-23-42-81(6)43-24-44-82(7)45-25-46-83(8)47-26-48-84(9)49-27-50-85(10)51-28-52-86(11)53-29-54-87(12)55-30-56-88(1
39-22-40-83(5)41-23-42-84(6)43-24-44-85(7)45-25-46-86(8)47-26-48-87(9)49-27-50-88(10)51-28-52-89(11)53-29-54-90(12)55-30-56-91(1
39-22-40-83(5)41-23-42-84(6)43-24-44-85(7)45-25-46-86(8)47-26-48-87(9)49-27-50-88(10)51-28-52-89(11)53-29-54-90(12)55-30-56-91(1
17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28)
39-22-40-84(5)41-23-42-85(6)43-24-44-86(7)45-25-46-87(8)47-26-48-88(9)49-27-50-89(10)51-28-52-90(11)53-29-54-91(12)55-30-56-92(1
 )18(25)16-33-24-23(29)22(28)21(27)20(35-24)17-34-36(30,31)32/h14-15,18-24,26-29H,2-13,16-17,25H2,1H3,(H,30,31,32)
 H,9,10)(H,11,12)
 6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,11-12,19-22,25,33,35-36,40H,10,13-16H2,1-8H
35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-13,19-22,25,34-35,39H,11,14-16H2,1-9H3
35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3
36)14-29(6)22-10-9-18-19(13-20(35)26(39)28(18,4)5)32(22,16-33)24(38)15-30(25,29)7/h9,19-22,25,33,35-36,40H,10-16H2,1-8H3
35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,19-22,25,34-35,39H,11-16H2,1-9H3

13H,2H2,1H3
4-42(77)78)49(81)66-44(29(5)56(88)89)52(84)63-33(23-41(75)76)48(80)58-25-38(71)62-32(22-40(73)74)47(79)59-26-39(72)64-45(30(6)5
37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3

47-29(19)50-28-18(31-12(3)36)22(42)21(41)15(10-35)48-28)9-13(37)26-24(44)25(45)27(49-26)34-8-7-17(39)33-30(34)46/h4,6-8,11,13-15


(31)6(3-29)40-17)18(39-5)41-14-7(27-19(22)23)11(32)8(28-20(24)25)15(13(14)34)43-44(36,37)38/h4-18,26,29,31-35H,3H2,1-2H3,(H4,22
23)12-11-14(18)19/h13,24H,2-12H2,1H3,(H,18,19)(H,20,21)(H,22,23)

 (5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23-24,31-32,35-37H,10,14-15H2,1-8H3
 (5)20-10-9-16-17(13-18(31)24(35)26(16,3)4)29(20,7)22(34)15-28(23,27)6/h9,11-13,17,19-20,23,31-32,36-37H,10,14-15H2,1-8H3
 ,10-11H,1-2H2,(H2,12,13,14)
3)39)12-13-26-33(8)17-25(45-20(2)38)29(34(33,9)18-28(41)35(23,26)10)36(11,43)27(40)14-15-31(4,5)42/h12,14-16,23,25-26,29-30,42-43
0-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24
 2(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/p-5
9(10,11)12/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)

10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33
-7H2,(H,8,9)(H,10,11)




1H;/q;;+1/p-1
)6(14)8(9)16/h3-16H,1-2H2,(H,17,18)

7)7-12(14)22-16(13)20/h2-7,13,16-18,20H,1H3

 0H,1H2,(H,11,12,13)

 (16-7-8-22)20-14(12)21/h2-6,10,22H,7-9H2,1H3,(H2,16,17,19,20)


6/h5-6H,4H2,1-3H3,(H,11,12)

 19)13-3-9(17)18/h5-7H,1-4,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)
3-5-9/h1-8H,(H2,14,15,16,17)
-2-4-6-10/h2-9H,1H3,(H2,14,15,16,17)
8(14)6-9/h1-7H,(H2,15,16,17,18)
/h4,6-7,9H,5H2,1-3H3,(H,13,14,15,16)
1(21)22)6-27-12(23)4-3-10(19)20/h7-8H,1-6,15H2,(H,16,24)(H,17,18)(H,19,20)(H,21,22)(H,25,26)
 9/h18H,2-17H2,1H3
-11H,1H2,(H,12,13,14)


1)16-14(6-10)41-24(9-2-3-11(29)12(30)4-9)25(19(16)34)43-27-23(38)21(36)18(33)15(7-28)42-27/h2-6,8,15,17-18,20-23,26-33,35-38H,7H
7)18-15(6-11)51-29(10-2-3-12(35)13(36)4-10)30(22(18)41)54-33-28(47)25(44)21(40)17(53-33)8-48-31-26(45)24(43)20(39)16(7-34)52-31/
7)10(7-16)21-14/h1-5,9-14,16-19H,7H2
10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33


22(13-15-32(21,4)26(23)14-16-33(24,25)5)38-31-30(37)29(36)28(35)27(18-34)39-31/h9,19-20,22-31,34-37H,6-8,10-18H2,1-5H3
20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3
0-11-58-19(39)7-5-3-4-6-18(37)38)13-51-57(48,49)54-56(46,47)50-12-16-22(53-55(43,44)45)21(40)27(52-16)35-15-34-20-24(29)32-14-33

11(20)8(16)7(3-17)22-5/h5-12,17-21H,1-4H2
15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)
1-13H,2,4H2
/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)
8,9)(H,10,11)(H,12,13)
0/h1-3,6-7H,4-5,8-9H2,(H,15,17)(H4,13,14,16)
37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,36-37,41H,15,27-29H2,1-10H3
h7-8,16H,1-6H2,(H,13,14)(H2,11,12,15)
 H3,(H,10,11)(H,12,13)
 1H3,(H,12,13)

H2,(H,10,11)(H,12,13)

 18(20)21/h17,19H,2-16H2,1H3,(H,20,21)




9)9-26-12-3-1-11(2-4-12)20(36)30-15(23(40)41)5-7-16(33)29-14(22(38)39)6-8-17(34)35/h1-4,13-15,26,28H,5-10H2,(H,29,33)(H,30,36)(H,3
 (H-,8,11)/p+1
9/h6-7,9H,1-5H2,(H2,11,14)(H2,12,13,15)
 3-25(4,22(15)26)17-10-20(28-6)19(27-5)9-14(17)12-29-23/h7-10,23H,1,11-12H2,2-6H3
 h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)

 )38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31

12H,5-7H2,1-4H3
0-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24

0)24(43)29(52-31-25(44)20(39)15(37)7-46-31)32(50-17)51-28-22(41)18-14(36)5-11(33)6-16(18)49-27(28)10-2-3-12(34)13(35)4-10/h2-6,9




16)8(5-15)20-13/h1-4,8-11,13,15-18H,5,14H2

3-14)12(46)13(47)6(31)2-40-44(36,37)43-45(38,39)41-3-7-10(32)11(33)18(42-7)30-4-24-9-15(30)27-20(22)29-17(9)35/h1,4,6-7,10-11,18,
0,11)(H4,6,7,8,9,12,13)/p-1

 -4,6,9,14H,5,12H2,(H2,13,15)
 )37-20-10(22)14(30)16(8(4-26)35-20)36-19-9(21)13(29)12(28)6(2-24)34-19/h6-20,24-26,28-32H,2-4,21-22H2,1H3,(H,23,27)
6-14-7(15)10(21)9(20)5(2-17)25-14/h5-14,17-18,20-23H,2-3,15H2,1H3,(H,16,19)
-27(4,23(24)14-18-29(22,30)6)16-15-26(32)28(25,5)19-31/h11,20-23,25-26,31-32H,8-10,12-19H2,1-7H3
,(H,9,10)(H,11,12)




)12-6/h3-5,14-16,18H,2H2,1H3,(H3,10,11,12,13,17)
 16-18(19)20/h7,9,11-12,14-15,17,21H,2-6,8,10,13,16H2,1H3,(H,19,20)
 6-1-2-8(17)9(18)3-6/h1-5,13-21H
 0(17)12(19)3-7/h1-6,16-20H


0-11-59-29(43)18(38)12-17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-23(54-56(44,45)46)22(40)28(53-19)37-16-36-21-25(31)34
 3-2-14-9(5)16/h2-4,6-7,10,17-18H,1H2,(H2,12,13,14)


9-10H,2,5-8H2,1H3,(H,14,15)
9-10H,2,5-8H2,1H3,(H,14,15)


H2,1-2H3,(H2,10,11)(H,13,14)
 (14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3
 (14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3


H,11,12)(H4,6,7,8)


 (H,9,10)(H,11,12)

5-7)19-5-18-8-11(19)16-4-17-12(8)22/h4-7,9-10,13,20-21H,1-3,15H2,(H,23,24)(H,16,17,22)
22-8)1-21-23(18,19)20/h2,4-5,8,14-15H,1,10H2,(H2,18,19,20)(H3,11,12,13,16,17)
0)9(19)6(2-14)23-12/h4-21H,1-3H2

 )27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)
(18)15-10/h3-4H,1-2H3,(H2,14,15,16,17,18)
 (27-11)5-26-30(23,24)28-29(21,22)25-4-6(17)3-16/h1-2,6-7,9-11,16-19H,3-5H2,(H,21,22)(H,23,24)(H3,13,14,20)
3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)
(16)4(28-10)1-27-33(21,22)30-35(25,26)31-34(23,24)29-32(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H,25,26)(H2,11,12,13)(H

)17-11(33)9(31)5(47-17)1-45-52(37,38)49-54(41,42)51-55(43,44)50-53(39,40)46-2-6-10(32)12(34)18(48-6)30-4-24-8-14(30)26-20(22)28-1


10)13)3-4-24-28(20,21)26-29(22,23)25-27(17,18)19/h5,7H,3-4,6H2,1-2H3,(H5-,13,14,15,17,18,19,20,21,22,23)/p+1




6,8H,7H2,(H,15,16)
7-7-16-11/h1-4,7,14,18H,5-6H2,(H2,13,15,16,17)
7-7-16-11/h1-4,7,14,18H,5-6H2,(H2,13,15,16,17)

H3,(H,8,9)(H,10,11)(H,12,13)


3(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)

2)18(2,17(25)26)15(19)14(20)16(23)24/h9,11-15,22H,1,3-8H2,2H3,(H,23,24)(H,25,26)
2)18(2,17(25)26)15(19)14(20)16(23)24/h11-15,21-22H,1,3-9H2,2H3,(H,23,24)(H,25,26)
2(22)17(2,16(25)26)14(18)13(19)15(23)24/h11-14,21-22,27H,1,3-9H2,2H3,(H,23,24)(H,25,26)

H3,(H,8,9)(H,10,11)(H,12,13)
 21)18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)
 14(22)18(2,16(25)26)13(20)12(19)15(23)24/h9-14,21-22H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)
1)7-18(2,16(24)25)14(20)13(19)15(22)23/h10-14,21H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)
 2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)
11(21)17(2,15(24)25)13(20)12(18)14(22)23/h10-13,21,28H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)
21)13(22)17(2,15(25)26)12(20)11(18)14(23)24/h9-13,21-22,29H,1,3-7H2,2H3,(H,23,24)(H,25,26)(H,27,28)
9(3,17(23)24)16(18)13(20)10-21/h10,12-16,22H,1,4-9H2,2-3H3,(H,23,24)
9(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)

0-11-58-19(38)12-29(42)7-4-3-5-8-29)14-51-57(48,49)54-56(46,47)50-13-17-22(53-55(43,44)45)21(39)27(52-17)36-16-35-20-24(30)33-15
 7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21
0)(H,11,12)(H,13,14)

5(22)14(21)13(20)12(8-19)25-17/h3-4,6-7,12-15,17-22H,5,8H2,1-2H3


 2,17(24)25)13(10)14(19)16(22)23/h5,9,11,13-15,21H,1,3-4,6-7H2,2H3,(H,22,23)(H,24,25)

-22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-21,23-26,30-33H,7-13H2,1-6H3
H,11,12)(H,13,14)
H,11,12)(H,13,14)




 ,12-13H,1H3


5-17(2,16(24)25)14(18)13(19)15(22)23/h12-14,21,26H,1,3-10H2,2H3,(H,22,23)(H,24,25)


 3-7(12)15/h5-6,20H,1-4,11H2,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)
5-5-13(23)29)7-39-40-8-12(18(34)26-6-14(24)30)28-16(32)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H2,23,29)(H2,24,30)(H,25,33)(H,26,3
7)13-3-7(12)15/h5-6,20H,1-4,11H2,(H2,12,15)(H,13,17)(H,14,16)(H,18,19)
H,1H3,(H,10,11)

12/h9H,2-4H2,1H3,(H,7,8)(H,13,14)(H2,10,11,12)
 7(46-40)14-26-20(4-8-32(48)49)22(12-36(56)57)28(44-26)15-29-24(6-10-34(52)53)42(2,17-38(60)61)31(45-29)16-30-25(7-11-35(54)55)4

27-21(12-35(56)57)19(4-8-31(48)49)25(44-27)14-26-20(5-9-32(50)51)22(13-36(58)59)39(46-26)42(3,63)43-41(2,18-38(62)64-43)24(7-11
10H2,(H,12,13)


/h1-10H,11H2
 ,11H,1-2H2,(H,9,10)(H2,12,13,14)
/h1-10,13,15H




17(19)16-24-25(21,22)23/h17-18,20H,2-16,19H2,1H3,(H2,21,22,23)

8-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h1

35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(
16(33)14(31)10(42-21)5-40-45(37,38)43-44(35,36)39-4-9-13(30)15(32)20(41-9)27-3-8(18(23)34)1-2-11(27)29/h3,6-7,9-11,13-16,20-21,29

1-13H,2-3H2,1H3




7-15-13(21)12(20)11(19)10(6-18)26-15/h3-5,10-13,15-16,18-21H,6H2,1-2H3
14-12(20)11(19)10(18)9(5-17)25-14/h2-4,9-12,14-15,17-20,22H,5H2,1H3
0)15(21)6-3-1-2-4-7(6)22-14/h1-4,8-11,13-14,16-19,21H,5H2

28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)18-3-2-7(16)17-15(18)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H3,16,17,24)
1-4,6-7,12H,5,11H2,(H,13,14)(H,15,16)


39)114-42-30-34-61(114)51(7)97-67(49(3)4)76(130)112-91(21,22)83(137)113-90(19,20)81(135)104-58(38-41-66(121)122)72(126)103-57
3)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,16,22-25H,1-2H3

 35(57)58)30(47-40)16-27-22(6-9-32(51)52)25(14-36(59)60)44(5,48-27)18-29-23(7-10-33(53)54)42(3,19-38(63)64)31(46-29)17-28(49-45)
 30)8-4-16-6-10-20(22(12-16)36-2)37-27-26(34)25(33)24(32)23(14-28)38-27/h3-13,18,23-34H,14H2,1-2H3
26(38)24(14-34)48-32)3-7-18(36)13-19(37)8-4-17-6-10-21(23(12-17)45-2)47-33-31(43)29(41)27(39)25(15-35)49-33/h3-13,18,24-43H,14-1
 36)8-4-17-6-10-21(23(12-17)45-2)47-33-31(43)29(41)27(39)25(49-33)15-46-32-30(42)28(40)26(38)24(14-34)48-32/h3-13,19,24-43H,14-1
29(45)26(15-41)59-38)3-7-19(42)13-20(43)8-4-18-6-10-22(24(12-18)54-2)57-39-36(52)33(49)30(46)27(60-39)16-55-37-34(50)31(47)28(44
32(52)28(70-44)16-64-42-38(58)34(54)30(50)26(14-46)68-42)3-7-20(48)13-21(49)8-4-19-6-10-23(25(12-19)63-2)67-45-41(61)37(57)33(53
12(20)11(19)10(18)9(6-17)24-14/h2-5,9-12,14-15,17-20H,6H2,1H3
28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,9-14,20-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)

 9)14(13)15(10)20/h1-6,16-19H
4(9-26-17)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3
17-8-11(21)7-16(23)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3
5(10-25-17)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
-20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-9,21-24H,5H2,1-2H3
 9)14(13)15(10)20/h1-5,10,16-19H,6H2

3,8H2,(H,12,13)(H,9,11,14)
2(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/p-5

(H,9,10)(H,11,12)
3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-3
 8-10)4-9(14)13(21)22/h2,6-7,9,20H,3-5,14H2,1H3,(H,21,22)(H,15,16,17)


11H,(H2,12,13,14)/p-1
11H,(H2,12,13,14)/p-1
 6-16)7-23-11-3-1-10(2-4-11)17(31)25-13(19(33)34)5-6-14(29)30/h1-4,9,12-13,21,23H,5-8H2,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27
 9-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)33-12-32-17-21(27)30-11-31-22(17)33/h1
 5-20(14)18)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3
9-14(21)8-17(23)19(18)20(15)24/h3,5-10,21-23H,4H2,1-2H3


 2(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/p-5
 5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-4
 5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-4
 5(3(1)9)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-3
 5(3(1)9)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-3
11H,(H2,12,13,14)/p-1
9(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-2
4(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31




5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-4
5(3(1)9)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-3
0(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-2
4(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31


 4/h3,5-6,15H,4H2,1-2H3
-20(15,16)19-7/h1-2,4,6-8,13H,3H2,(H,15,16)(H3,10,11,14)
11-7-9-15/h9-10,14,18-19H,6-8,11-13H2,1-5H3

)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,

6)18-27-23(9-12-29(50)51)43(6,19-34(60)61)39(46-27)22(2)37-25(11-14-31(54)55)44(7,20-35(62)63)45(8,49-37)40-26(17-33(58)59)42(5,
6)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42(5,
/h1-7,14-16H
(13)15/h1-5,14-16H
)18-10/h1-5,14-16H
)13(12)18/h1-4,14-17H
)12(10)18/h1-4,14-17H
)12(13)18/h1-4,14-16,18H
9-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42

57)41(3,4)28(49-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(1
 2-3,5-6,10-11H,4,7-8H2,1H3,(H2,13,15)
57)41(3,4)28(53-36)18-27-23(9-12-29(46)56)43(6,19-33(50)60)39(52-27)22(2)37-25(11-14-31(48)58)44(7,20-34(51)61)45(8,55-37)40-26(1
3)4/h5-9,18H,10H2,1-4H3
15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)
 9-36)18-27-23(9-12-31(54)55)43(6,19-29(46)52)39(48-27)22(2)37-25(11-14-33(58)59)44(7,20-30(47)53)45(8,51-37)40-26(17-35(62)63)42

 (5)19-20-26-21-29(31)27-17-6-7-18-28(27)30(26)32/h6-7,17-19,21-24H,8-16,20H2,1-5H3
 -10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h9,21-24,31H,10-19H2,1-8H3
 -10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3
8(3,16(23)24)14(17)13(19)15(21)22/h12-14,25H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)
 -10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h11,20-25,31H,9-10,12-18H2,1-8H3
31)10-9-20-24-19(26(3,4)32)11-14-27(24,5)17-18-29(20,30)7/h19-24,31-32H,9-18H2,1-8H3

9)9-15(20)21/h1-6,16H,7-9H2,(H,20,21)
 15(19)20-14/h1-6,8-9,16,18H,7H2
 12/h1-8,14-15H
-12(7-14(23)9-15)2-1-11-3-5-13(22)6-4-11/h1-9,16-26H,10H2
17)8-6-12/h3-11,17H,1-2H3
24-27(5,6)26(32)14-16-30(24)19-31(25,30)18-17-28(23,29)7/h20,22-26,32H,3,9-19H2,1-2,4-8H3
(18)27(19-12-22(31)14-23(32)13-19)28(34-25)17-5-9-21(30)10-6-17/h1-15,27-33H
35(28)39(42(50-32)21-5-11-24(45)12-6-21)30-15-27(48)18-33-36(30)38(29-14-26(47)16-31(49-40)34(29)37)41(51-33)20-3-9-23(44)10-4-

/h1-5,8-10,15-16H,6-7H2
 12/h2-11,16H,1H3
 12/h2-6,9-11,16H,7-8H2,1H3
8(20)15-19(17)21/h10-11,15H,4-9,12-14,16H2,1-3H3/q+1
 19(22)20-10-8-7-9-11-20/h12-14H,7-11H2,1-6H3/q+1

-16-10-17-9-13/h4-11,18H,2-3H2,1H3
-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3
-6-12(16)7-5-11/h4-7,9-10,13-14,20H,8H2,1-3H3
 23)24-10-19)15(19)14(20)16(21)22/h12-15H,1,3-10H2,2H3,(H,21,22)
-16-63-22(42)9-8-19(40)17-6-4-5-7-18(17)30(46)47)13-56-62(53,54)59-61(51,52)55-12-20-24(58-60(48,49)50)25(43)32(3,57-20)39-15-37
2,17(24)25-9-19)15(19)14(20)16(22)23/h11-15,21H,1,3-9H2,2H3,(H,22,23)
 6(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)
 3)11-13-3-8-15(20)9-4-13/h1-10,16,19-20H,11H2,(H,22,23)
5H2,(H,12,13)
 )10-12-3-7-14(20)15(21)9-12/h1-9,16,19-21H,10H2,(H,23,24)
 8-4-11-3-7-14(20)15(21)9-11/h1-9,16,19-21H,10H2,(H,23,24)
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,23-26H,7-16H2,1-6H3
 4)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)
2H,4H2,(H,13,14)
 22)23-19)14(19)13(18)15(20)21/h3,7,11-14H,1,4-6,8-9H2,2H3,(H,20,21)
 6(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)
 5-8/h1-7,14-16H
 4-2-1-3-5-9/h1-7,13,16-17H,8H2
 8-4-2-1-3-5-8/h1-7,14-17,19H
 -1-3-5-10/h1-9,16,18-19H
2-9(17)10(18)3-7/h1-5,13,16-19H,6H2

7-15(10)20-14/h1-5,7,14,16,18-19H,6H2
2(9)21-15(13)20/h1-6,13,15-18,20H
0(14)15(11)19/h1-7,16-18H

2-10/h4-7,10-12H,2-3,9H2,1H3,(H2,14,15,16)
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18,20,22,24-26,29H,3,7-8,11-17H2,1-2,4-6H3

(5)15-16-26-29(24,25)27-28(21,22)23/h9,11,15,19H,6-8,10,12-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)
(5)15-16-26-29(24,25)27-28(21,22)23/h9,15,18-19H,6-8,10-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)
48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-4
48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-4
48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-4

8(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39
 1)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-14,16,20,31H,1
 1)42)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22;/h7,11-13,16,20,31,40
8(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39
8-12(2-5-14(16)27)9-17(23(33)34)35-19(29)6-3-11-1-4-13(26)15(28)7-11/h1-8,17-18,20-22,24-28,30-32H,9-10H2,(H,33,34)


H2,(H,11,12)
2H,4H2,(H,13,14)
9-11/h3-10H,1-2H3

5)15-16-24-25(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H2,21,22,23)
21-2)7-12(15)17(13)19/h3-9,18H,1-2H3
9-2-4-10(17)5-3-9/h2-8,17,19H,1H3
10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3
21-11)6-9-4-2-1-3-5-9/h1-7,17H,8H2




 -6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)
 H2,1H3,(H,12,13)
(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18,20,22-26,29H,3,7-8,10-17H2,1-2,4-6H3
41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22/h8,12-14,17,21,31,36,39H,1,9
2)32(38-23)30-31(35(44)45-6)34(43)29-17(5)24(39-33(29)30)12-26-19(8-2)21(14-40)27(37-26)13-25(18)36-22/h7,11-14,16,20,31,36,39H
28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,12,14,17,21,30,36,38H
28-32(38-24)29(30(33(28)43)35(45)46-7)31-21(10-11-27(41)42)17(5)22(37-31)12-23-16(4)20(9-2)34(44)39-23/h9,14,17,21,23,30,36,38H

6)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-3,5-6,8-9,11,18,20-29,31-37H,4,7,10H2,1H3
7)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3
11,14-15H,5H2,(H,12,13)
)5-9(17)6-15(16)22-13/h2-6,13,17-19H,7H2,1H3
)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3
5)5-10(6-16(18)32-15)31-22-21(29)20(28)19(27)17(8-23)33-22/h2-6,15,17,19-25,27-29H,7-8H2,1H3
6)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-
(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-


14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32
 9-2-4-10(17)5-3-9/h2-7,14,17-18H,8H2,1H3
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,22-26,29H,7-16H2,1-6H3
0(17)7-15(16)21-14/h2-7,14,17-18H,8H2,1H3
 9-18(17(22)23)9-11(18)4-2/h8,10-13H,3-7,9H2,1-2H3,(H,19,21)(H,22,23)


 3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3
-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H
-1-8(18)12(20)9(19)2-5/h1-4,13-22H
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-21,23-26H,7-17H2,1-6H3
 8)14(21)11(19)2-6/h1-5,16-21H
7-15(21)20(16,4)17(22)23-14/h5,10,13-14,16H,1,6-9,11H2,2-4H3
17(22)8-10-20(14,16)5/h6,12,14,16-17,22H,1,7-11H2,2-5H3
8(23)15(22)10-20(16,17)5/h6,9,11,13,15-17,22H,1,7-8,10H2,2-5H3
2-19(21(24)25)15-16-8-6-4-7-9-16/h3-9,17-19,22H,2,10-15H2,1H3,(H,24,25)
 15(12)19-14/h1-8,16-18H
2-20(16,17)5/h6,14,16-17H,1,7-13H2,2-5H3
6-14(19)7-10/h8-12,17H,3-7H2,1-2H3,(H,16,18,19)
9,30)6)47(5)14-12-28(56)18-27(47)19-32(36)57)8-7-9-26(2)45(63)79-17-16-50-35(59)13-15-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3

15-12(9)13/h4,6H,3,5H2,1-2H3,(H2-,13,14,15,17,18)/p+1
 -2-12-9(5)18/h2-4,6,10,15-16H,1H2,(H,11,12,18)

20(15)24)17(22)11-14(5)6/h7-8,14,23-25H,9-11H2,1-6H3
)21(26,19(15)24)10-9-13(3)4/h7,9,14,23-24,26H,8,10-11H2,1-6H3
19(14)23)17(21)13(5)6/h7-8,13,22-24H,9-10H2,1-6H3
(25,18(14)23)10-9-12(3)4/h7,9,13,22-23,25H,8,10H2,1-6H3
)7-10(3)4/h5,8,10,17,19-20H,6-7H2,1-4H3
25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-26,29-30H,7-16H2,1-6H3
0)26(24(20)29,13-11-17(3)4)14-12-18(5)6/h9,11-12,19,28-29H,10,13-15H2,1-8H3
5(23(19)28,13-11-16(3)4)14-12-17(5)6/h9,11-12,18,27-28H,10,13-14H2,1-8H3
 15-18(21)22/h6-7,10,13,16-17,19-20H,2-5,8-9,11-12,14-15H2,1H3,(H,21,22)
 16-18(19)20/h11-12,14-15,17,21H,2-10,13,16H2,1H3,(H,19,20)
,24)17(21)10-8-13(3)4/h7-8,11,14,16,24H,9-10H2,1-6H3
(17,25)19(23)10-8-14(3)4/h7-8,12,15,17,25H,9-11H2,1-6H3
-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-30H,6H2

 17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3
20-16-21(29)11-13-27(20,5)25(22)12-14-28(23,24)6/h17-26,29-30H,7-16H2,1-6H3
 22)10-6-13-4-7-14(21)8-5-13/h3-8,10-11,21,23-25H,9H2,1-2H3
 17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3
 5)18(24)12-8-15-6-9-16(23)10-7-15/h5-10,12-13,23,25H,11H2,1-4H3
25(20)30)21(27)14-10-18-8-11-19(26)12-9-18/h5,7-12,14-15,26,28-30H,4,6,13H2,1-3H3
 (24(19)29)21(27)14-9-17-7-10-18(26)11-8-17/h5-11,14,26,28-30H,12-13H2,1-4H3
23(25(20)30)22(28)15-10-18-8-11-19(27)12-9-18/h6-12,15,27,29-30H,13-14H2,1-5H3
 1-3-6-12(18)7-4-11/h3-10,18,20H,1-2H3
0(14)25)15(23)9-6-12-4-7-13(22)8-5-12/h4-9,11,18,22,24-25H,10H2,1-3H3
5)24)16(23)9-6-13-4-7-14(22)8-5-13/h4-12,22,24H,1-3H3
5)26)16(23)9-6-13-4-7-14(22)8-5-13/h4-9,11,17,22,24-26H,1,10H2,2-3H3
25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h17-25,29H,7-16H2,1-6H3
9)21(23(18)29)20(27)12-8-16-6-9-17(26)10-7-16/h5-10,12-14,26,28-29H,11H2,1-4H3
 17(23)11-7-14-5-8-15(22)9-6-14/h4-6,8-9,12,22,24-25H,7,10-11H2,1-3H3
0(19)25)14(23)9-6-12-4-7-13(22)8-5-12/h4-10,15,22,24-25H,11H2,1-3H3
 5-20(14)19)12-4-6-13(21)7-5-12/h3-7,9,18,21-23H,8,10H2,1-2H3
 8(26-21(15)20)13-5-7-14(22)8-6-13/h4-8,10,18,22-23H,9,11H2,1-3H3
 0-17(25-18)12-4-6-13(21)7-5-12/h3-7,9,17,21-22,24H,8,10H2,1-2H3
-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27/h1-7,17-24,26-37H,8-9H2
-10(30)4-14-11(15)6-16(25(39-14)9-1-2-12(31)13(32)3-9)41-27-24(38)22(36)20(34)18(8-29)43-27/h1-6,17-24,26-38H,7-8H2
-9(30)3-13-10(14)5-15(25(40-13)8-1-11(31)18(33)12(32)2-8)42-27-24(39)22(37)20(35)17(7-29)44-27/h1-5,16-17,19-24,26-39H,6-7H2
 (31)24-14-19(29)9-11-28(24,6)23(20)10-12-27(21,22)5/h16-25,29-30H,7-15H2,1-6H3
11-18(39)10-22-19(23)12-24(34(50-22)16-3-5-17(38)6-4-16)52-36-33(48)31(46)29(44)26(54-36)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15
1)31(48)26(60-39)14-54-29(46)8-2-16-1-7-21(42)22(43)9-16)12-20-23(56-37)10-19(41)11-24(20)57-38-35(52)33(50)32(49)27(59-38)15-55
5)34(54)27(64-41)15-59-31(51)8-2-17-1-7-22(45)23(46)9-17)12-21-24(61-39)10-20(44)11-25(21)62-42-38(58)36(56)40(66-33(53)14-30(49
3)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-37H,8H2,1H3
(32)22(34)24(36)27(41-18)40-17-8-14-15(30)6-13(29)7-16(14)39-25(17)11-2-4-12(28)5-3-11/h2-8,10,18-24,26-36H,9H2,1H3
4)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9/h2-6,8,17-18,20-24,26-38H,7H2,1H3

13H,3-4H2,1-2H3
 3(39)26(42)29(45)33(52-20)50-18-8-15-16(48-30(18)12-2-4-13(35)5-3-12)6-14(36)7-17(15)49-32-28(44)25(41)22(38)19(9-34)51-32/h2-8,
 6)6-15(13)35-23)36-24-22(33)21(32)20(31)17(37-24)9-34-19(30)8-18(28)29/h1-7,17,20-22,24-27,31-33H,8-9H2,(H,28,29)
 -7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3
 12-19-22(50-34(24)16-3-5-17(38)6-4-16)10-18(39)11-23(19)51-35-33(48)31(46)29(44)26(54-35)14-49-27(42)8-2-15-1-7-20(40)21(41)9-15
 13-21-22(49-34(24)17-4-8-19(39)9-5-17)11-20(40)12-23(21)50-35-33(47)31(45)29(43)26(53-35)15-48-27(41)10-3-16-1-6-18(38)7-2-16/h1
 -14(18(16)24-11)9-6-7-23-19(9)25-13/h3-9,19H,1-2H3
 42(5)27-16-28-43(6)29-17-30-44(7)31-18-32-45(8)33-19-34-46(9)35-20-36-47(10)37-38-49-48(11)50(54)53(57-12)52(56)51(49)55/h21,23
 -24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3
 4(26-2)12-17(16)23-18(22)15(13-21)19(25)27-3/h5-8,12,20,23H,4,9-11,13H2,1-3H3
7,13-14H,2-5H2,1H3,(H,15,16)
 26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)
 5,16)17/h1-6,11-14H,(H4,8,9,10)(H2,15,16,17)/p+1
11-15H,(H4,8,9,10)
 5-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)
 -7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-19,21-26,30-31H,7-15H2,1-6H3
 6)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,23-24H,2,5-10H2,1,3-4H3,(H,25,26)
 11-13-22(4,26-18)12-8-9-15(2)3/h9,11,13-14,23H,5-8,10,12H2,1-4H3,(H,24,25)
16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3
 5(4)9-10-17(18)14(2)3/h11-13,17-18,22-23H,2,5-10H2,1,3-4H3
 8)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3
 26)13-12-16(4)10-8-9-15(2)3/h9,12,14,23-24H,5-8,10-11,13H2,1-4H3,(H,25,26)
 -24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-17,19-23,25-26,31-32H,7-14H2,1-6H3
16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h7,17-18,20-25,28-29H,6,8-16H2,1-5H3
 -24(30)23-13-18(29)9-11-28(23,6)22(19)10-12-27(20,21)5/h15-23,25-26,29,31-32H,7-14H2,1-6H3
 -8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h8,18-20,22-27,30-31H,7,9-17H2,1-6H3
 -8-21-17-22(30)12-14-28(21,5)26(23)13-15-29(24,25)6/h7-8,18-19,22-27,30-31H,9-17H2,1-6H3
16-20(28)12-14-26(19,4)24(21)13-15-27(22,23)5/h17-25,28-29H,6-16H2,1-5H3
1(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3
 27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3
 )16-17-27-25(4,5)19-24(29)20-26(27,6)30-27/h7-18,24,29H,19-20H2,1-6H3
 )16-17-25-26(4,5)19-24(29)20-27(25,6)30/h7-16,18,24,29-30H,19-20H2,1-6H3
 -12,15H,8H2,1-4H3
1)6)47(5)15-12-29(56)20-28(47)21-33(36)57)8-7-9-27(2)45(62)78-19-18-50-35(58)14-17-51-43(61)40(60)46(3,4)23-71-77(68,69)74-76(66
 -7-19-15-20(29)11-13-27(19,5)24(21)12-14-28(22,23)6/h16-26,29-31H,7-15H2,1-6H3
 ,15H,7-8H2,1-4H3
 10,15-16H,7-8H2,1-4H3
 h5-6,10,15H,7-8H2,1-4H3

-17-26(3)20-21-29-28(5)19-12-22-30(29,6)7/h8-11,13-18,20-21,23H,12,19,22H2,1-7H3
18/h4-14H,1-3H3

 19)15(21)11(20)2-6/h1-4,12,16-17,19-21H,5H2
12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)
 H2,1H3,(H,11,12)(H,13,14)(H3,9,10,15)
 -7-18-13-23(29)24(30)14-28(18,6)22(19)11-12-27(20,21)5/h15-26,29-32H,7-14H2,1-6H3
 -22(29)21-12-23(30)24(31)13-28(21,6)20(17)9-10-27(18,19)5/h14-26,29-33H,7-13H2,1-6H3
 16-18(19)20/h3,7,9,11-12,15,17,21H,2,4-6,8,10,13-14,16H2,1H3,(H,19,20)
 H,2H2,(H,13,14)
9-13(5)22)30-14-11(33-35(26,27)28)7(19)6(18)10(31-14)12(20)21/h4-11,13-14,16,18-19,22H,2H2,1H3,(H,15,17)(H,20,21)(H,23,24,25)(H,2
 15-18(19)20/h3,8,10-11,14,16H,2,4-7,9,12-13,15H2,1H3,(H,19,20)
 12-18(20)21/h3,7,13-16H,2,4-6,8-12H2,1H3,(H,20,21)
3H2,1H3,(H2,8,9,10)

9-55-25(38)14-4-3-8-46-14)11-48-54(44,45)51-53(42,43)47-10-15-19(50-52(39,40)41)18(35)24(49-15)33-13-32-17-21(27)30-12-31-22(17
12-18(20)21/h3,7,15-16H,2,4-6,8-14H2,1H3,(H,20,21)
(4-2-8)15(20)21/h1-4,7,10-14,16-19H,5-6H2

9-10H,2,5-8H2,1H3,(H,14,15)
9-10H,2,5-8H2,1H3,(H,14,15)
7(32)11-22(18)41-29)42-30-28(39)27(38)26(37)24(43-30)13-40-25(36)8-2-14-1-7-19(33)21(35)9-14/h1-12,24,26-28,30-35,37-39H,13H2
 36)27(37)28(38)30(42-24)41-23-13-20-21(34)11-19(33)12-22(20)40-29(23)16-4-8-18(32)9-5-16/h1-13,24,26-28,30-34,36-38H,14H2
 -9(23)4-14-10(15)6-13(26)20(30-14)8-1-2-11(24)12(25)3-8/h1-6,16-19,21-29H,7H2
  17)12(18)5-8/h1-7,16-18H
 -4-12(15(25)8-11)13(23)5-1-10-2-6-14(24)16(26)7-10/h1-8,17-22,24-29H,9H2
 -7-14(16(25)9-13)15(24)8-3-11-1-4-12(23)5-2-11/h1-9,17-23,25-28H,10H2
 -3-11-14(7-10)30-15(17(11)25)6-9-1-4-12(23)13(24)5-9/h1-7,16,18-24,26-28H,8H2




 ,8,9,10,11,12)
7,8,9,10,11,12)
 ,7,8,9,10,11,12)

(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15,19-22,25,27-30H,13-14,16-18,23-24,26,31-32H2,1-10H3
 37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3

1)25-36(38,5)6)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3
 -16)5-9(21)11(7(2)19)17(18)24/h5,21-23H,1-4H3
5-10(21)11(8(2)19)17(18)25/h5-6,21-24H,1-4H3
 2(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14-19,21-29,38-39,41H,13,20,30H2,1-10H3
7,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-28,37-38H,15-16,29-30H2,1-10H3
 37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-26,28,36-38,41H,15,27,29H2,1-10H3
7-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3
 1-3-8(9)5-6-11(17)18/h1-6,10,12-16,19-21H,7H2,(H,17,18)

(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27,29-30H,13,15,17,21,26,28,31H2,1-

2(3)18-11-12-19-33(4)22-16-26-36(7)27-28-39-37(8)29-38(41)30-40(39,9)10/h11-12,14,16-19,21-24,26-28,38,41H,13,15,20,25,29-30H2,1
 37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,28,36,38,41H,15,22,27,29H2,1-10H3
(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14,16,18-20,22-25,27-30,39H,13,15,17,21,26,31H2,1-10H
27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H
1-34(57)58)19(4-8-31(51)52)39(45-24)37-28(49)7-3-18-22(12-35(59)60)25(46-38(18)37)14-29-41(2,16-30(43)50)23(6-10-33(55)56)27(44-




(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3
 26-6-10(17)5-25-28(20,21)24-4-9(16)3-15/h7-10,15-17H,3-6,13H2,1-2H3,(H,14,18)(H,20,21)(H,22,23)
(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3
(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3
(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3
(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3
 -15H,1,5-8H2,2-4H3
h8,11,13-16H,3-7,9H2,1-2H3
h8-9,11,13-15H,3-7H2,1-2H3
h8-9,11-15H,4-7H2,1-3H3
 7/h8,10-14H,4-7H2,1-3H3,(H,16,17)
 11(9)13/h8-12,18H,4-7H2,1-3H3,(H,16,17)
 3,18-13)19-20-15/h8-11,13H,4-7H2,1-3H3
4-27-21(11-39(59)60)19(3-7-35(51)52)25(45-27)13-26-20(4-8-36(53)54)22(12-40(61)62)28(46-26)15-31-42(2,18-34(44)50)24(6-10-38(57)
4-27-21(11-39(59)60)19(3-7-35(51)52)25(45-27)13-26-20(4-8-36(53)54)22(12-40(61)62)28(46-26)15-31-42(2,18-34(44)50)24(6-10-38(57)
4-27-21(11-39(59)60)19(3-7-35(51)52)25(45-27)13-26-20(4-8-36(53)54)22(12-40(61)62)28(46-26)15-31-42(2,18-34(44)50)24(6-10-38(57)
6-42-41(2,18-33(50)48-42)24(6-10-37(57)58)29(47-42)14-27-21(11-38(59)60)19(3-7-34(51)52)25(44-27)13-26-20(4-8-35(53)54)22(12-39(
8-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)

 3-11-34-22(41)8-10-35-30(45)27(44)32(3,4)16-54-60(51,52)57-59(49,50)53-15-21-26(56-58(46,47)48)25(43)31(55-21)39-18-38-24-28(33
28-2-5-7(19)8(20)11(29-5)18-3-15-6-9(18)16-13(14)17-10(6)21/h3-5,7-8,11,19-20H,2H2,1H3,(H,22,23)(H,24,25)(H,26,27)(H3,14,16,17,21)
 7(10)3-9-14(19)17-16(26)18-15(9)25/h1-4,11-13,20-24H,5-6H2,(H,18,25,26)
 16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9
 43-44(40,41)42-9-17(31)19(34)16(30)8-28-15-7-12(29)3-2-11(15)6-13-20(28)26-24(39)27-22(13)36/h2-3,6-7,10,14,16-17,19,29-31,34H,4
 8-9-23-27(4)12-11-24(32)28(5,19-31)22(27)10-13-30(23,29)7/h8,21-24,31-32H,9-19H2,1-7H3
 3,4)21(28)11-14-30(22,8)29(19,7)16-15-27(20,5)24(32)18-25/h9,20-24,31-32H,10-18H2,1-8H3

,18-31)21(27)10-13-30(22,7)29(19,6)15-14-26(20,3)24(33)17-25/h8,20-24,31-33H,9-18H2,1-7H3
7(41)25(39)26(40)28(45-30)29(42)43)34(5,18-37)21(33)10-13-36(22,7)35(19,6)15-14-32(20,3)23(38)17-31/h8,20-30,37-43H,9-18H2,1-7H
18(5-8-25(45)46)31(52)37-20(33(55)56)6-9-26(47)48)61-62(58,59)60-13-23(43)27(49)22(42)12-40-21-11-16(41)3-2-15(21)10-17-28(40)3
2-4-21)13-14-37-27(41)10-6-24(32(47)48)39-29(43)12-8-26(34(51)52)40-30(44)11-7-25(33(49)50)38-28(42)9-5-23(36)31(45)46/h1-4,15,1
2-4-20)11-12-36-27(40)8-6-24(33(49)50)37-28(41)9-7-25(34(51)52)38-30(44)26(39)14-23(32(47)48)22(31(45)46)5-10-29(42)43/h1-4,13,1

  0(17)12(19)3-7/h1-5,13,15-20H,6H2
3)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2
 (48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)4
 (48)25(52)8-16)39(59)37(33)35-29(56)14-30(57)36-38(40(60)43(63-45(35)36)17-3-6-22(49)26(53)9-17)34-28(55)13-23(50)19-12-31(58)4
21(15,16)17/h7,10-11H,1-3H2,(H,8,9)(H2,12,13,14)(H2,15,16,17)
H,1-3H2,(H,9,10)(H2,12,13,14)
H2,(H,9,10)(H2,11,12,13)
 3H2,(H,7,8)(H2,10,11,12)
  H,7,8)(H2,9,10,11)
5H,1-3H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)

 13/h4-5H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
 13/h4-6,11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
/h5-6H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)

H2,(H2,8,9,10)/p+1
 18-10-12/h1-4,7,10H,5-6,8-9,15-16H2/p+2
4-15)7-8-22-18(23)6-5-17(21)19(24)25/h1-4,9,12,17H,5-8,10-11,20-21H2,(H,22,23)(H,24,25)/p+1
 -4-17)9-10-27-21(29)8-6-20(24(33)34)28-22(30)7-5-19(26)23(31)32/h1-4,11,14,19-20H,5-10,12-13,25-26H2,(H,27,29)(H,28,30)(H,31,32)(
5,10H,3-4,9H2,(H,11,12,13)

1H3,(H,11,12)
8-20(15,16)17/h1-4,8-11,13-14H,5,12H2,(H2,15,16,17)

 15)20-14/h10-18H,2-9H2,1H3
)15/h1,5-6,10H,4,7-9H2,2H3




16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3
)14(19)13(18)9-10/h1,7-9,18-19H,5-6H2,2-3H3,(H,21,22)
16)5-8/h3-5,16-17H,1-2H3,(H,18,19)
8)12(16)7-10/h2-7,16,18H,1H3,(H,19,20)




11,15H,1-5,10H2
6(18)19/h4-7,11H,1-3,8,13-14H2,(H,15,17)(H,18,19)


-2,8-9H2,(H,11,12)(H,13,14)


5-23-36-62(5)37-24-38-63(6)39-25-40-64(7)41-26-42-65(8)43-27-44-66(9)45-28-46-67(10)47-29-48-68(11)49-30-50-69(12)54-56-122-129
1-2-13(29)15(31)3-10)42-27-24(39)26(44-22(37)8-20(34)35)23(38)18(43-27)9-40-21(36)7-19(32)33/h1-6,18,23-24,26-31,38-39H,7-9H2,(H
2(50)27(60-38)14-56-30(48)12-28(45)46)11-25(37(57-23)16-3-5-20(42)22(44)8-16)59-39-36(54)34(52)31(49)26(61-39)13-55-29(47)6-2-1
 1-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3
-2)6-3-10(15(16)18)9-12(11)19/h3-4,6,12,17H,5,7-9H2,1-2H3
 0)5-3-10(15(16)18)9-12(11)19/h3-6,12,17,20H,7-9H2,1-2H3
10-16(38)9-22-17(23)11-24(34(51-22)15-3-5-19(40)21(42)8-15)53-36-33(49)31(47)29(45)26(55-36)13-50-27(43)6-2-14-1-4-18(39)20(41)7

2,(H,11,12)(H,13,14)
2,(H,10,11)(H,12,13)(H,14,15)
2,(H,10,11)(H,12,13)(H,14,15)




5(22)14(21)13(20)12(8-19)25-17/h3-7,12-15,17,19-22H,8H2,1-2H3


5(36)41-30)37-17-5-3-16(4-6-17)11-19(43)27(49)20(44)12-58-34-29(51)28(50)22(60-34)13-59-62(56,57)61-21(8-10-24(47)48)31(52)39-18

,9,10,11,12)
11-14-17-20-22(24)25/h21,23H,2-20H2,1H3,(H,24,25)
(32)23(21-29)36-28)19-16-13-10-7-6-8-11-14-17-20-24(30)31/h22-23,25-29,32-34H,2-21H2,1H3,(H,30,31)
0,11)(H,12,13)




4(20)13(19)12(8-18)24-16/h2-7,12-16,18-21H,8H2,1H3
4(20)13(19)12(8-18)24-16/h4-5,7,12-21H,2-3,6,8H2,1H3

,1-4H2,(H,10,12)(H,13,14)(H,15,16)
 11/h1-9,15-17H
3,(H2,9,10,11)




36-38(25,26)27)9(22)6(34-14)2-33-40(30,31)37-39(28,29)32-1-5-8(21)10(23)15(24)35-5/h3-6,8-11,14-15,21-24H,1-2H2,(H,28,29)(H,30,31




3H3,(H,12,13)
60-9-8-33-20(40)6-7-34-28(44)25(43)30(2,3)13-53-59(50,51)56-58(48,49)52-12-19-24(55-57(45,46)47)23(42)29(54-19)38-15-37-22-26(32
41)61-9-8-33-19(39)6-7-34-28(44)25(43)30(2,3)13-53-60(50,51)57-59(48,49)52-12-17-24(56-58(45,46)47)23(42)29(54-17)38-15-37-22-26
 11-10-33-19(39)7-9-34-28(45)25(44)31(4,5)14-54-60(51,52)57-59(49,50)53-13-18-24(56-58(46,47)48)23(43)29(55-18)38-16-37-22-26(32


4-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3
4-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3


22)6-17(2,16(25)26)14(19)13(18)15(23)24/h11-14,21-22,27H,1,3-9H2,2H3,(H,23,24)(H,25,26)

36(37)41-31)38-18-6-4-17(5-7-18)12-20(44)28(50)21(45)13-59-35-30(52)29(51)23(61-35)14-60-63(57,58)62-22(9-11-25(48)49)32(53)40-
-10-23-28(6)15-13-24(31)26(3,4)22(28)12-16-30(23,29)8/h20-25,31H,1,9-18H2,2-8H3
);/q;;+1/p-1

10(19)20)5-27-26-4-7(15)13(24)25/h6-8H,1-5,14-15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)(H,24,25)

h1-7,13-15H
 7/h1-7,13-14H,(H,16,17)
 1/h1-7,10,13-14H


8,14H,(H,15,16)
 H,2-3,6H2,1H3
 )15/h10-11,17H,3-9H2,1-2H3,(H2,14,15)




5/h1-8,13H,(H,14,15)
,9H2,1H3,(H,12,13)


9,12-13H,1H3,(H,11,14)
13H,1H3,(H,11,14)
4,13H,1H3,(H,11,14)(H,15,16)

0-1-5(12)11-9(15)16/h1,3-4,6-8,11,13-14H,2H2,(H,15,16)(H2,17,18,19)/p-1
(15)16/h9,18H,1-8H2,(H2,13,14)(H,15,16)

0(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)

6-4-3-5-9(10)11/h3-8,12,16H,1-2H3,(H,15,17,18)
6/h1-3,5,8,14H,4,13H2,(H,15,16)
(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-22,25-32H,13-14,23-24H2,1-10H3
(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-30,39H,13,17,21,31H2,1-10H3
7,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-23,25-28,37H,15-16,24,29-30H2,1-10H3
7-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3
8(2,17(24)25)15(19)14(20)16(22)23/h10,12-15H,1,3-9H2,2H3,(H,22,23)(H,24,25)
(3)19-11-12-20-34(4)23-16-27-37(7)29-30-39-38(8)28-17-31-40(39,9)10/h11-12,14-16,18-20,22-27,29-30H,13,17,21,28,31H2,1-10H3
7-6-15(14)13-20/h15-17H,1,5-13H2,2-4H3
7,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-14,17-22,25-28H,15-16,23-24,29-30H2,1-10H3
7-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-24,35-36,41-42H,25-28H2,1-10H3
6-37(36,6)7)15-11-12-16-30(2)18-14-20-32(4)23-24-40-38(8,9)27-35(42)28-39(40,10)43-40/h11-24,34-35,41-42H,25-28H2,1-10H3
0)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)
27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3
 22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)
27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H
3,17(22)23)15(18)9-16(20)21/h13-16,21H,1,4-11H2,2-3H3,(H,22,23)
 6(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)
 17(22)23)16(18)14(20)11-21/h11,13-16H,1,4-10H2,2-3H3,(H,22,23)
 2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)
 15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)
-5,10-11H,3,6-9H2,1-2H3
 -23-24(4,5)16-22(27)17-25(23,6)28/h7-14,22,26-28H,16-18H2,1-6H3
0)16-14(7-12)40-24(10-2-4-11(29)5-3-10)25(19(16)33)42-27-23(37)21(35)18(32)15(8-28)41-27/h2-7,9,15,17-18,20-23,26-32,34-37H,8H2,
(36)18-15(7-13)50-29(11-2-4-12(35)5-3-11)30(22(18)40)53-33-28(46)25(43)21(39)17(52-33)9-47-31-26(44)24(42)20(38)16(8-34)51-31/h2
6(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2
6(27)14-11(25)5-10(24)6-12(14)30-19(20)8-1-3-9(23)4-2-8/h1-6,13,15,17-18,21-26,28-29H,7H2
14-12(24)6-11(23)7-13(14)30-19(20)9-2-4-10(22)5-3-9/h2-8,15,17-18,21-25,27-28H,1H3
9)16-15(8-13)40-24(11-3-5-12(28)6-4-11)25(19(16)32)41-27-23(36)21(34)18(31)10(2)38-27/h3-10,17-18,20-23,26-31,33-36H,1-2H3
-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-29H,7H2
6-18(2,16(23)24)14(20)13(19)15(21)22/h11-14H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)
-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)
 17)6-11(12)21-15/h1-6,16-18,20H
 18-15/h5-8H,9-10H2,1-4H3
 10-18-16(2)9-11-19-20(4,5)12-7-13-21(18,19)6/h14,17-19H,2,7-13H2,1,3-6H3,(H,25,26)(H2,22,23,24)
 17(23)24)15(18)14(20)16(21)22/h12-15H,1,4-10H2,2-3H3,(H,21,22)(H,23,24)
5-17(2,16(24)25)14(18)13(19)15(22)23/h10,12-14,26H,1,3-9H2,2H3,(H,22,23)(H,24,25)
8(2,17(24)25)15(19)14(20)16(22)23/h12-15,21H,1,3-10H2,2H3,(H,22,23)(H,24,25)
(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-16,19-22,25-30H,13-14,17-18,23-24,31-32H2,1-10H3
 (18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/p+1
 -11(23)9(21)8(20)10(22)12(13)24/h4-14,16,18-24H,2H2,1H3,(H,15,17)
7-15(5)28-13-11(24)9(22)8(21)10(23)12(13)25/h3-13,15,18-25,29H,1-2,16H2,(H,17,26)
9(24)7(2-21)32-18(8)33-16-14(29)12(27)11(26)13(28)15(16)30/h4,6-16,18,21,24-30H,2-3H2,1H3,(H,19,23)(H,20,31)
7-46-6-12(28-11(4)33)24(41)29-15-17(35)16(34)14(5-32)44-27(15)45-23-21(39)19(37)18(36)20(38)22(23)40/h12,14-23,27,32,34-40H,5-7
 /h4H2,1-3H3

 2-20)30-17(7)31-15-13(27)11(25)10(24)12(26)14(15)28/h5-15,17,20,22-28,32H,2-3H2,1H3,(H,18,21)(H,19,29)




,8,9)(H4,5,6,10,11,12)

 19)20/h9-10H,2-5,8,11-17H2,1H3,(H,19,20)


0-12-57-19(38)7-6-11-36(3,4)5)14-50-56(47,48)53-55(45,46)49-13-17-22(52-54(42,43)44)21(39)27(51-17)35-16-34-20-24(29)32-15-33-25
 (37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,1
8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H3,10,11,15)(H2,16,17,18)




2-9-5-2-6-10-12/h1-10H2,(H,17,19)(H,18,20)

(40)26(43)29(46)33(53-20)51-18-7-13-16(49-30(18)11-2-3-14(36)15(37)4-11)5-12(35)6-17(13)50-32-28(45)25(42)22(39)19(8-34)52-32/h2
3)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,

 /h4-8,11-14H,2-3H2,1H3
26(4,5)25(31)14-16-29(23)19-30(24,29)18-17-27(22,28)6/h9,21-25,31H,8,10-19H2,1-7H3
4-22(5)25(31)13-15-29(24)18-30(26,29)17-16-27(23,28)6/h19,21-26,31H,3,8-18H2,1-2,4-7H3
 9-58-27(42)14-4-3-5-15(36)19(14)38)11-51-57(48,49)54-56(46,47)50-10-16-21(53-55(43,44)45)20(39)26(52-16)35-13-34-18-23(29)32-12
0-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24
0-11-56-27(40)16-6-4-3-5-7-16)13-49-55(46,47)52-54(44,45)48-12-17-21(51-53(41,42)43)20(37)26(50-17)35-15-34-19-23(29)32-14-33-24




-4-7-14(15)16)27-17(20(29)28-19)9-6-10-25-22(23)24/h4-5,7-8,11-13,26-27H,3,6,9-10H2,1-2H3,(H4,23,24,25)


2,7-8H2,(H,9,10)(H,11,12)
-8/h1-2,4,6-8,13-15H,3H2,(H3,10,11,16)


6,11-13,15H,(H4,8,9,10)
12-15H,8H2,(H4,9,10,11)




5,7-9H,1H2,(H2,11,12,13)
 8,9)(H,10,11)


10H,1H2,(H2,11,12,13)
 -11H,1-2H2,(H2,12,13,14)




9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33




,5-6,9-10H,2H2,(H,7,8)(H2,11,12,13)


 ,11,12)(H,13,14)


-6,8-10H,1,7H2,(H2,11,12,13)


,11,12)(H,13,14)
-6,8-10H,1,7H2,(H2,11,12,13)
3-5-7/h1-5,8-17H,6H2


5,7-10H,1-2H2,(H2,11,12,13)
10H,1H2,(H2,11,12,13)

21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-1

28-49(5)29-16-30-50(6)31-17-32-51(7)33-18-34-52(8)35-19-36-53(9)37-20-38-54(10)39-21-40-55(11)41-22-42-56(12)43-44-68-71(66,67)7
4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32
11H,(H2,12,13,14)/p-1
0(14,15)16/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-2
9(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-2
11H,(H2,12,13,14)


2H2,(H2,10,11,12)
6/h4-8,10-13H,1-2H2,(H2,14,15,16)

H,1-2H2,(H2,12,13,14)




1-4,6,9,13H,5,12H2,(H,14,15)
10H2,(H,12,13)




H,9,10)(H,11,12)
6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)
 14)15(13)18/h1-8,16-17H
 21-7)2-20-22(17,18)19/h3-7,16H,1-2H2,(H2,11,12,13)(H2,17,18,19)

2-4-9(17)24-14(6)11(7)19/h1-4,8,10,12-13,15-16,18-21H,5H2
)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)
20-24(18,19)22-23(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H3,10,11,14)(H2,15,16,17)
-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H3,10,11,14)(H2,15,16,17)
19)13(16)8-10/h3-8H,1-2H3
22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H3,10,11,14)(H2,15,16,17)


16-8(18)4-2-3-7(15)13(20)21/h7,9,12H,2-5,15H2,1H3,(H,16,18)(H,20,21)(H,22,23)/p+1
-15(28-3)13-17(16)24(2)19(22)23(27,14-21)20(26)29-4/h6-9,13,18-19,27H,5,10-12,14H2,1-4H3
0(14(23)24)6(4-18)5-25-12(9)17/h7,9,12,18H,1-5,15H2,(H,16,19)(H,21,22)(H,23,24)
 5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3
 5-26-16)15(23(33)34-2)10-35-24(12)37-25-22(32)21(31)20(30)19(9-27)36-25/h3,6,8,10,12,14,16,19-22,24-32H,1,4-5,7,9H2,2H3
16(31)14(29)11(41-20)6-39-44(36,37)42-43(34,35)38-5-10-13(28)15(30)19(40-10)26-3-1-2-9(4-26)21(32)33/h1-4,7-8,10-11,13-16,19-20,2
 3(30-14(10)15(27)28)24-7-5-11(25)22-17(24)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,19,20)(H,21,26)(H,27,28)(H,22,25,29)
6-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-54-55(51,52)53/h21,23,25,27,2
13-3-14-10(6)16/h3-4,7-8,17-19H,1-2H2,(H2,12,13,14)


,9H,1-2H2,(H,10,11)(H2,12,13,14)
15-5-6-17(20)19(15,2)10-8-16(14)18/h3,13-16H,4-11H2,1-2H3,(H,21,22,23)

19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3
1-2H2,(H,11,12)
7(19)16-20/h17,20H,2-16,19H2,1H3
6)17-15-24-19-25(28)18-23(5)26(24)29-27/h18-22,28H,7-17H2,1-6H3
8(33)52)16-22(2)12-13-30(48)23(3)17-28(14-15-47)41(25(5)31(49)19-34(50)60-32)62-44-39(53)36(46(9)10)42(26(6)59-44)61-35-20-45(8
41(5)25-15-26-42(6)27-16-28-43(7)29-17-30-44(8)31-18-32-45(9)35-36-46-37-49(51)47-33-10-11-34-48(47)50(46)52/h10-11,19,21,23,25

(23-8)4-22-26(20,21)24-25(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H3,11,12,16)(H2,17,18,19)
1-8)4-20-22(17,18)19/h2,6-8,14-15H,1,3-4H2,(H3,11,12,16)(H2,17,18,19)
(25-8)4-24-29(20,21)27-30(22,23)26-28(17,18)19/h2,6-8,14-15H,1,3-4H2,(H,20,21)(H,22,23)(H3,11,12,16)(H2,17,18,19)


-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
 6H,1-5H2,(H,15,16)(H4,10,11,12)
25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)
2-14-44(25,4)30(27)19-32(54)45(28,29)5)6-11-34(56)75-17-16-47-33(55)13-15-48-41(59)38(58)43(2,3)21-68-74(65,66)71-73(63,64)67-20
h1-2,5-6,8,13-14H,3-4H2,(H3,10,11,15)
 )5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)
2-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)
 -8-31-12-15)26-13-32-21(29)11-19(26)34-24(2,3)18(26)10-20(27)28/h6,8,12,16,18-19,23H,5,7,9-11,13H2,1-4H3,(H,27,28)
 -8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)

 )17-19(8,9)10/h3-7H,1-2H2,(H,11,12)(H,13,14)(H2,8,9,10)
 /h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)
1H3,(H2,9,10,11)
 6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1
 -63(44,45)46)56-27-15(38)14(37)19(22(60-27)24(41)42)58-26-10(30-6(2)33)18(16(7(3-31)55-26)61-64(47,48)49)57-28-21(62-65(50,51)52
 )5-8(17)6-12(13)23-2/h3-6,17-19H,1-2H3,(H,21,22)
1(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h7,9,19,21-25,28H,6,8,10-17H2,1-5H3
 -20)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-20H,6-7H2
 H,2-6H2,1H3,(H,13,14)(H2,11,12,15)
  5(2-13)19-11/h4-10,12-16H,1-3H2
4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)
16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)
4(16)5(26-6)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)
3(26)12(25)9(31-16)4-30-33(28,29)32-17(27)7-2-1-3-8(23)11(7)24/h1-3,5-6,9,12-13,16,23-26H,4H2,(H,28,29)(H2,18,19,20)




22-8)1-21-23(18,19)20/h2,4-5,8,15-16H,1,10H2,(H2,18,19,20)(H4,11,12,13,14,17)
11H2,1H3,(H,12,13)
-4-10/h1-8H

7(21)11-6-2-4-8-15(11)25-19(13)23/h1-8,20-21H,9H2
1-14-17-20-26(37)38)44-34-32(30(42)28(40)25(22-36)46-34)47-33-31(43)29(41)27(39)24(21-35)45-33/h23-25,27-36,39-43H,2-22H2,1H3,
12-15-18-21-28(39)40)47-36-34(32(44)29(41)26(22-37)48-36)50-35-33(45)31(43)30(42)27(49-35)23-46-24(2)38/h25-27,29-37,41-45H,3-2
-13-16-19-22-30(41)42)50-38-36(34(46)32(44)29(52-38)24-49-26(3)40)53-37-35(47)33(45)31(43)28(51-37)23-48-25(2)39/h27-29,31-38,4

)2-15/h4,6,15-17H,1-2H2,(H4,10,11,13,14,18)
7(19)16-20/h17-18,20-21H,2-16,19H2,1H3

 18)15(14)16(12)19/h2-8,16-19H,1H3
8)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-7H,8-10H2,1-2H3

7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,12,21H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)
17)6-11(12)21-15/h1-6,14-18,20H

9)13-6-15(24-2)11-4-16-17(27-9-26-16)5-12(11)21(13)23/h4-7H,8-10H2,1-3H3
-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-24,27,32,38-39H,9-12,14,16,18,2
 15(20)11-19(21)22-16/h4-5,12-18,20H,3,6-11H2,1-2H3
4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)
 5)2-21-22(18,19)20/h4,6,15-16H,1-2H2,(H2,18,19,20)(H4,10,11,13,14,17)
4(15)2-25-29(21,22)27-30(23,24)26-28(18,19)20/h4,6,15-16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H4,10,11,13,14,17)
 7,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)
 2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3
 7-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54
 15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)
 26-2)12(33)10(31)6(3-29)42-17)18(41-5)43-14-7(27-19(22)23)11(32)8(28-20(24)25)15(13(14)34)45-47(35,36)37/h5-18,26,29-34H,3-4H2,
 (31)6(3-29)40-17)18(39-5)41-14-7(27-19(22)23)11(32)8(28-20(24)25)15(13(14)34)43-44(36,37)38/h5-18,26,29-35H,3-4H2,1-2H3,(H4,22,
 7-8/h5-8,13-14H,2-4H2,1H3,(H,11,15,16)
 (H,10,11)(H,12,13)




2-13H,(H,14,15)




H,3H2,(H,14,15)
2-13H,3H2,(H,14,15)
,13H,3,12H2,(H,14,15)




5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)
3-8H2,1-2H3

 8-9(14)11-3-12-10(8)16/h3-7,15H,1-2H2,(H,11,12,16)(H2,17,18,19)
 )41-34(43-44(38,39)40-31-30-35(3,4)5)42-33(37)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-31H2,1-5H3
18)19/h1-2,13H,3H2,(H,14,15)(H,16,17)(H,18,19)
(18)19/h2-3,5,13H,1,10H2,(H,14,15)(H,16,17)(H,18,19)




4,15H,5H2,(H,11,14)(H,12,13)/p-1

 -9(14)13(20)21/h7,9-10H,4-6,14H2,1-3H3,(H3-,15,16,17,19,20,21)/p+1
 -9(14)12(18)19/h7,9-10H,4-6,14H2,1-3H3,(H2-,15,16,18,19,20,21)

10)8-15-14(7-20(29)30)11(9-21-15)2-4-17(23)24/h16H,2-9H2,1H3,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
 2)6-4-10(15)14(21)22/h3,7-8,10,16H,4-6,15H2,1-2H3,(H,21,22)




6)25-6(5)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,15H,1-2H2,(H,20,21)(H,22,23)(H,11,12,16)(H2,17,18,19)
40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,31H,1-2,10-11
40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,31H,1-2,10-11
(5)17-18-26-19-27(29)24(6)25(7)28(26)30/h17,19-22,29-30H,8-16,18H2,1-7H3

 19-20-21-22(23)24/h2-21H2,1H3,(H,23,24)

 68(5)39-21-40-69(6)41-22-42-70(7)43-23-44-71(8)45-24-46-72(9)47-25-48-73(10)49-26-50-74(11)51-27-52-75(12)53-28-54-76(13)55-29-
6-72(10)48-27-50-74(12)52-29-54-76(14)56-31-58-78(16)60-33-62-80(18)64-34-63-79(17)61-32-59-77(15)57-30-55-75(13)53-28-51-73(11
38-68(5)39-21-40-69(6)41-22-42-70(7)43-23-44-71(8)45-24-46-72(9)47-25-48-73(10)49-26-50-74(11)51-27-52-75(12)53-28-54-76(13)55-2

  ,10H2,(H,13,14)
H2,(H2,6,7,8)(H2,9,10,11)
31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)
31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)
31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)
31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,
31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-10,12-13,15,19,21-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,
31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)
4-20-24(18,19)22-23(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,10,13,14)(H2,15,16,17)
6,27)32-33(24,25)28-5-8-7(18)4-10(30-8)17-3-2-9(19)16-15(17)23/h2-3,6-8,10-14,18,20-22H,4-5H2,1H3,(H,24,25)(H,26,27)(H,16,19,23)
 8-20(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,17)
4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,12H,3-4H2,(H,18,19)(H,20,21)(H,10,13,14)(H2,15,16,17)
 ,9)(H,11,12)

 4H2,1H3,(H,10,11)(H2,7,8,9)
0-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23
 -21(29)19-13-22(30)23(31)14-25(19,4)17(18)6-10-26(16,27)5/h12,15-17,19-20,22-23,28,30-33H,6-11,13-14H2,1-5H3

10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)
2-16(9-13(21)22)10-14(23)24/h1-10H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)
8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)


 17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,17-18H,2,6-10,12-14H2,1,3-5H3,(H,24,25)(H2,21,22,23)
7(20)6-5-15(14)12-20/h13,15-17H,1,4-12H2,2-3H3
7(20)6-5-15(14)12-20/h15-17,21H,1,4-13H2,2-3H3
 6-29(44)18(33-27(42)15-6-3-9-21(36)24(15)39)12-48-30(45)17(11-47-28(16)43)32-26(41)14-5-2-8-20(35)23(14)38/h1-9,16-18,34-39H,10
 3(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18,20-22,24-26,29H,3,7-9,11-17H2,1-2,4-6H3
 18(20)21/h7,9,11-12,14-15H,2-6,8,10,13,16H2,1H3,(H,20,21)
 -26(4)19-13-21-28(6)22-23-29-30(7,8)31-29/h14-16,20-21,29H,9-13,17-19,22-23H2,1-8H3
 H3,(H,10,11)(H,12,13)

30)17-21(29)11-15-27(28,6)25(22)13-14-26(23,24)5/h7-8,12,18-21,23-25,29-30H,9-11,13-17H2,1-6H3
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3

 ,7,8)(H2,9,10,11)/p-1




24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)
5(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3
1(32-19)23(29)30)8-11(13)2-4-15(14)16(24)9-18(26)22(24)28/h3,5,8,14-22,25-28H,2,4,6-7,9-10H2,1H3,(H,29,30)
16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3
13)2-4-15(14)16(18)6-7-17(18)19/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22)
9)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2
 25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)
 36(29,30)32-3-8-11(25)12(26)15(33-8)21-5-20-9-13(17)18-4-19-14(9)21/h4-8,10-12,15,22-26H,1-3,16H2,(H,27,28)(H,29,30)(H2,17,18,19)
 25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)
19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)
 6(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-41/h17,19,21,23,25,27,29,31,41H,10-16,18,20,22,24,26,28,30,32H


7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18,20-22,24-25,29H,3,7-17H2,1-2,4-6H3
1H3,(H,12,13)
0-11-61-22(41)7-5-17-4-6-18(39)19(12-17)52-3)14-54-60(50,51)57-59(48,49)53-13-20-25(56-58(45,46)47)24(42)30(55-20)38-16-37-23-27
 (18)15-10/h3-4,13H,1-2H3,(H3,14,15,16,17,18)
3)21(35)23(37)27(41-16)42-25-18(32)12-4-3-11(28)7-15(12)40-24(25)10-2-5-13(29)14(30)6-10/h2-7,9,16-17,19-31,33-37H,8H2,1H3
  13)14/h1-9,15H,10H2

H,8,9)(H,10,11)(H,12,13)
0-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29)
0-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)
 7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)




 13(15)16(14)18/h2-9,17H,1H3
 )3(1-16)19-9/h2-3,5,7-9,14-18H,1H2,(H2,11,12,13)
6-50-11-30)8-43-49(40,41)46-48(38,39)42-7-12-16(45-47(35,36)37)15(32)21(44-12)29-10-28-14-18(23)26-9-27-19(14)29/h9-12,15-17,21
 (H,9,10)(H,11,12)
7,12)(H,8,9)(H,10,11)
3-1-20(2-4-22)13-14-37-28(41)10-7-26(34(50)51)39-30(43)11-8-27(35(52)53)38-29(42)9-5-24(32(46)47)25(33(48)49)6-12-31(44)45/h1-4,
6)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)4

 ,7-10H,1-2H2,(H2,11,12,13)
0(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)
 ,7-10H,1-2H2,(H2,11,12,13)
5,7-10H,1-2H2,(H2,11,12,13)
 6)7(5-15)21-11/h6-9,14-17H,1-5,11,13H2,(H,19,20)
8(15)7(24-11)5-23-25(20,21)22/h6-9,14-16H,1-5,11,13H2,(H,18,19)(H2,20,21,22)
 H2,(H,10,11)
1H3,(H2,10,11,12)


2-27)42-24)11(32)7(3-28)41-23(9)45-19-12(33)8(4-29)43-25(17(19)38)46-20-14(35)15(36)21(39)47-22(20)40/h6-25,27-29,31-40H,2-4H2,

H,1-2H2,(H2,12,13,14)


10H,1H2,(H2,11,12,13)
6)11(21)23-8(7)10(19)20/h1-2,4-8,11-16,21H,(H,17,18)(H,19,20)
(7)18-16-25-19-26(29)23(5)24(6)27(25)30-28/h19-22,29H,8-18H2,1-7H3

0-12-57-19(38)7-6-11-36(3,4)5)14-50-56(47,48)53-55(45,46)49-13-17-22(52-54(42,43)44)21(39)27(51-17)35-16-34-20-24(29)32-15-33-25
 14)15/h5-6H,1-4,11H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)

-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28


17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)
1)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3
1)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3
14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32
14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32
14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32
14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32
16)6(32-39(26,27)33-36(18,19)20)3(31-9)1-30-38(24,25)35-40(28,29)34-37(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H,28,29)(H2
 (15)19(23)10-16(13)17(12-24)21(25)26-2/h3-7,12,16-17,19,22H,8-11H2,1-2H3
3)7-12(24)17(14(16)27)33-20-15(28)18(26-4)21(2,29)8-30-20/h9-20,25-29H,5-8,22-24H2,1-4H3
 (23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17/h8-18,24-27H,3-7,20-23H2,1-2H3


12)13/h5,7H,4,6,8H2,1-3H3,(H,14,15)(H2,11,12,13)
 (5)15-16-26-29(24,25)27-28(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)
 -10-23-28(6)13-12-24(31)26(3,4)22(28)11-14-30(23,29)8/h19-20,22-24,31H,9-18H2,1-8H3
 2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)
(2,21(32)36-25)18(25)14(23)19(30)31)35-20-17(29)16(28)15(27)11(8-26)34-20/h11-18,20,26-29,33H,1,3-9H2,2H3,(H,30,31)
 16(23)25-10-18)14(18)13(19)15(21)22/h12-14,24H,1,3-10H2,2H3,(H,21,22)

10H,1H2,(H2,11,12,13)
10H,1H2,(H2,11,12,13)

16-29-50(5)30-17-31-51(6)32-18-33-52(7)34-19-35-53(8)36-20-37-54(9)38-21-39-55(10)40-22-41-56(11)42-23-43-57(12)44-45-73-77(69,

19(3)4)30(43)37-28(20(5)10-2)32(45)35-23(18-39)16-26(41)36-29(22(7)40)31(44)34-17-27(42)47-25/h19-25,28-29,39-40H,9-18H2,1-8H3




H2,(H,12,13)

 -6,8-10H,1,7H2,(H2,11,12,13)
50-76(35)155-66-32(14-102)151-77(164-165(135,136)137)36(50(66)120)90-19(2)104)156-83-64(134)70(48(118)34(153-83)16-139-78-62(
 5-24-26(20,21)22)6-8-4-2-1-3-5-8/h1-5,9,11-14,16-19H,6-7H2,(H,20,21,22)/p-1


9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18
9-56-17(37)5-3-4-16(35)36)11-49-55(46,47)52-54(44,45)48-10-14-20(51-53(41,42)43)19(38)25(50-14)33-13-32-18-22(27)30-12-31-23(18
 3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)
7)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)
21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/p-1
 13(11-29)23-14(24)5-4-12(19)17(27)28/h12-13,20,29H,1-11,18-19H2,(H,21,25)(H,22,26)(H,23,24)(H,27,28)

(22)14-5-3-11(21)9-16(14)24-18(13)20/h3-9,18,21-22H,10H2,1-2H3




h11,13-14H,4-10H2,1-3H3

 20(9-11-26(18,19)3)25(2)10-8-17(28)12-16(25)13-21(24)29/h15-21,24,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)
 19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)
 6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)




2(45-12(2)54)28(61)34(17(7-50)71-38)76-39-24(47-14(4)56)29(62)35(18(8-51)73-39)77-42-33(66)31(64)36(19(9-52)74-42)78-41-32(65)30
 37-10(2)44)21(48)27(13(5-40)59-31)63-32-19(38-11(3)45)22(49)28(14(6-41)60-32)64-34-26(53)24(51)29(15(7-42)61-34)65-33-25(52)23(
 -34(25,26)27)32-17-11(22)13(28-3)10(21)14(33-17)15(23)24/h7-14,16-17,20-22H,5H2,1-4H3,(H,23,24)(H,25,26,27)/p+1

)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)
9(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28

)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)
17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)
4,5,6,9,10,11)
8,9)(H4,5,6,7)


 (17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)
16)6(30-36(26,27)32-34(21,22)23)3(29-9)1-28-35(24,25)31-33(18,19)20/h2-3,5-6,9,16H,1H2,(H,24,25)(H,26,27)(H2,18,19,20)(H2,21,22,23
1)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3
17)5(16)3(31-9)1-30-37(22,23)33-39(26,27)35-40(28,29)34-38(24,25)32-36(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H,26,27)(
17)5(16)3(29-9)1-28-34(22,23)31-36(26,27)32-35(24,25)30-33(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H,26,27)(H2,19,20,21)
4-8-12-16-25-18(21)22/h23H,1-16H2,(H4,19,20,24)(H4,21,22,25)
27)15-29-33(6,43)34(44,12-11-32(41)42)30(38-29)16-28-22(9-10-31(39)40)19(5)24(36-28)14-26(20)35-23;/h7-8,13-16,43-44H,1-2,9-12H
8-30(5)17-12-16-29(4)15-11-14-28(2)3)34(9)41(53-45)24-38-32(7)36(20-22-47(55)56)43(51-38)27-44-37(21-23-48(57)58)33(8)39(52-44)2
5(23,24)25)7(4)31-12-9(33-36(26,27)28)6(16)5(15)8(32-12)10(17)18/h2-9,11-16,19H,1H2,(H,17,18)(H,20,21,22)(H,23,24,25)(H,26,27,28)

15)16/h2-4,10H,1H3,(H,8,9)(H2,11,12,13)(H2,14,15,16)




-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34




(H,10,11)(H,12,13)
H,8,9)(H,10,11)(H,12,13)

H2,(H,8,9)(H,11,12)(H,13,14)

5-6H,1-4,9-10H2,(H,11,12)(H,13,14)




-11-25-28(6)16-9-15-26(3,4)23(28)14-19-30(25,29)8/h21-25H,1,9-19H2,2-8H3
-10-23-27(5)17-12-20(26(3,4)31)21(27)13-18-29(23,30)7/h20-24,31H,9-19H2,1-8H3




 -9(21)10(22)15(25-2)28-12(11)13(23)24/h5-12,14-15,17,19-22H,3H2,1-2H3,(H,16,18)(H,23,24)
10)(H2,7,8,11,12)
10)(H2,7,8,11,12)




4)2-4-7/h1-4,8-17H,5H2
3)10-7-4-5-8-11-20(24)25/h12-13,16-17,19,23H,2-11,14H2,1H3,(H,24,25)
16-14(13)19/h3-4,6,8,18H,5,7,9H2,1-2H3/p+1
 4H2,1H3,(H,10,11)(H2,7,8,9)




 -3H3,(H3,9,10,11,12,13,14)
0-11-59-21(40)12-18(38)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34
 10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33




29(44-32)15-31-24(11-39(58)59)21(3-7-35(50)51)28(43-31)14-30-23(10-38(56)57)20(2-6-34(48)49)27(42-30)13-26-19(1-5-33(46)47)18(1




22)11-13(17)18/h12,23H,2-11H2,1H3,(H,17,18)(H,19,20)(H,21,22)

6(11(28)8(4-25)32-19)35-20(36-17)18(31)13(30)12(29)14(34-20)6(22)3-24/h5-19,23-31H,2-4,21-22H2,1H3




-18-19-20-21-32(50)69-25-24-43-31(49)22-23-44-39(53)36(52)41(2,3)27-62-68(59,60)65-67(57,58)61-26-30-35(64-66(54,55)56)34(51)40


4-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)


3H2,(H,7,8)(H2,10,11,12)




3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)
15-8-4-2-1-3-7(8)9/h1-5,10-19H,6H2
14(26)19(15(27)17(20)29)32-12(24)5-8-6-22-10-4-2-1-3-9(8)10/h1-4,6,11,13-23,25-30H,5,7H2

11,13H,5H2
10(9)11/h2-5,7-8,14H,6H2,1H3,(H,15,16)(H,17,18)
10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)
9)5-8-6-17-10-4-2-1-3-9(8)10/h1-4,6,11,13-18,20-22H,5,7H2
(19)14(20)15(21)16(22)24-11/h1-4,6,11,13-17,19-22H,5,7H2
7-11-4-2-1-3-10(9)11/h1-4,8,12,17H,5-7H2,(H2,16,19)(H,18,20)(H,21,22)
6-11-4-2-1-3-10(9)11/h1-4,8,12,16H,5-7H2,(H,17,18)(H,19,20)(H,21,22)
3-6-4-3-5-12(11)13/h3-6,9-10,14,17H,7-8H2,1-2H3,(H,18,19)(H,20,21)

 1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)

1-12H,(H,13,14)
3-7(8)9/h1-5,10,13H,6H2,(H,15,16)
-7(8)9/h1-6,13H,(H,15,16)
3-7(8)10/h1-5,9,12,14,17H,6,13H2,(H,15,16)
3-7(8)9/h1-5,10-11,13-14H,6H2,(H,15,16)


5H2,(H,12,13)
4,6,10,12-13H,5H2,(H,14,15)
6,12H,5H2,(H,14,15)

 -2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)
9(11,12)13/h1-10H,(H2,11,12,13)(H2,14,15,16)/p-2
3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-3
5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/p-4
3(9)4(1)19-22(10,11)12/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/p-3
(19)8(17)6(2-14)23-12/h5-10,13-20H,1-4H2




 2(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-1
4,7-8,11H,1H2,(H,12,13)(H,14,15)


4(13)15(11)19/h1-7,16-18H




8(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)
6)4-10(25)15-12(27)5-13(31-20(15)16)7-1-2-8(23)9(24)3-7/h1-5,14,17-19,21-26,28-30H,6H2
)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)
-10)15-12(22)11(21)9(27-15)5-26-28(23,24)25/h3,6-7,9,11-12,15,21-22H,4-5H2,1-2H3,(H,16,17,18)(H2,23,24,25)
-9/h1-6H,13H2




-12)6-11(26)21(18(16)28)34-22-20(30)19(29)17(27)15(7-23)33-22/h2-6,15,17,19-20,22-24,26-30H,7H2,1H3

-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33/h1
5)6-13-15(18(16)27)10(24)5-12(30-13)8-1-3-9(23)4-2-8/h1-6,14,17,19-23,25-29H,7H2
9(33)16(8-29)41-27)25(40-15)18-12(32)6-14-17(21(18)35)11(31)5-13(39-14)9-1-3-10(30)4-2-9/h1-6,15-16,19-20,22-30,32-38H,7-8H2
3,8H2,(H,9,14)(H,12,13)

9(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)

8-22(37)19(36)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-18(49-51(39,40)41)17(35)23(48-14)32-12-31-16-20(26)29-11-30-21(16)32/h1
6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19

9-10,12-14H,1-2H2,(H,15,16)
6,17)18/h3,5-7,9,11-13H,1-2H2,(H,14,15)(H2,16,17,18)
45-61(86)77-65-71(104-63(88)47-55(82)43-39-35-31-27-23-19-15-11-7-3)68(91)59(102-74(65)108-110(97,98)99)51-100-73-66(78-62(87)4
1)56-76(107)97-81-89(130-79(110)57-67(102)52-47-42-37-32-27-22-17-12-7-2)85(114)74(128-92(81)136-138(122,123)124)64-125-91-82
8-92(123)142-82(66-60-54-48-42-35-29-23-17-11-5)72-94(125)146-104-96(112-90(121)71-81(65-59-53-47-41-34-28-22-16-10-4)141-91(1
45-65(96)85-69-77(117-67(98)47-57(91)43-39-35-31-27-23-19-15-11-7-3)73(102)63(115-80(69)123-125(110,111)112)53-113-79-70(86-66
9-65-71-95(126)145-85(69-63-57-51-45-35-29-23-17-11-5)75-94(125)116-100-108(150-98(129)76-86(70-64-58-52-46-36-30-24-18-12-6)1
9-54-59-82(113)131-73(58-53-48-43-38-30-25-20-15-10-5)63-81(112)102-86-94(135-84(115)62-72(107)57-52-47-42-37-29-24-19-14-9-4)

 -20(13)18)12-6-4-11(21)7-15(12)22/h3-4,6-8,14,21-24H,5,9H2,1-2H3
H,11,12)(H,13,14)
0-11H,4-7H2,1-3H3/p+1

-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5
1(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)




 19(21)20(22)23/h15-19,21H,6-14H2,1-5H3,(H,22,23)




9(14(24)25)4-2-3-8(17)13(22)23/h7-10H,2-6,16-17H2,1H3,(H,18,20)(H,19,21)(H,22,23)(H,24,25)(H,26,27)
-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)
0(15(26)27)4-2-3-8(17)14(24)25/h7-10H,2-6,16-17H2,1H3,(H,18,22)(H,19,23)(H,20,21)(H,24,25)(H,26,27)


,10,11)(H,12,13)
8-96(135)158-84(66-60-54-48-42-35-29-23-17-11-5)72-98(137)162-112-100(124-94(133)71-83(65-59-53-47-41-34-28-22-16-10-4)157-95


H,1-3,7H2,(H,11,12)(H5,8,9,10,13,14,15)
 -7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)
7-9H,1H2,(H2,11,12,13)
 8)(H2,9,10,11)

9-58-19(39)10-16(37)11-36(3,4)5)13-51-57(48,49)54-56(46,47)50-12-17-22(53-55(43,44)45)21(40)27(52-17)35-15-34-20-24(29)32-14-33
0,11)(H3,8,9,12)
,8-9H2,(H,10,11)(H,12,13)




1-12H,3,10H2,(H,13,14)
1-12H,3,10H2,(H,13,14)
H,2H2,(H,13,14)




5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)
2,(H,8,9)(H2,10,11,12)




,1,3,7H2,(H,8,9)(H2,10,11,12)
1-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3


,8H,5,11-12H2,(H,14,15)




2(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)
6,12H,1-5H2,(H,14,15)(H,16,17)(H4,10,11,13)




2H2,(H2,10,11,12)

5,7-10H,1-2H2,(H2,11,12,13)
H,6,7)(H2,8,9,10)
-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)
2H,6,11H2,1H3
4)15/h2-5,9H,6,11H2,1H3,(H,13,14,15)




2H2,(H2,10,11,12)

 15-19(20)21/h17-18H,2-16H2,1H3,(H,20,21)
21-11(20)8(18)7(10)17/h3-20H,1-2H2
 6(15)5(14)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)
 21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-1
 -27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3
1H,3,8-9H2,(H,12,13)
 h10-11H,5-9H2,1-4H3
 -16-35-23(41)14-15-36-31(45)28(44)33(2,3)19-54-60(51,52)57-59(49,50)53-18-22-27(56-58(46,47)48)26(43)32(55-22)40-21-39-25-29(34

 17)6-11(12)21-15/h1-6,13-20H
 16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)
 )15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H

7)7-14(12)19/h1-8,16-19H
7)7-14(12)19/h1-8,16-17,19-20H
10-17(25)33-22)5-7-23(3)19(13-6-8-30-11-13)32-21(29)20-26(23,24)34-20/h6,8,11,14-15,17,19-20H,5,7,9-10,12H2,1-4H3
/h5-9,12-15H,3H2,1-2H3
 19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)
 19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)
-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28
(14)18)5-12(19)15(21)22/h1-4,6,12,20H,5,19H2,(H,21,22)
45-57(76)69-61-65(90-59(78)47-53(74)43-39-35-31-27-23-19-15-11-7-3)63(80)56(89-68(61)93-95(84,85)86)50-87-67-62(70-58(77)46-52(


15(26)14(25)11(30-18)7-29-32(27,28)31-12(24)4-2-1-3-10-5-6-33-34-10/h8-11,14-15,18,25-26H,1-7H2,(H,27,28)(H2,19,20,21)
H2,(H,10,11)(H,12,13)
6-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)
 17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3
 h4H,1-3,7H2,(H,11,12)(H,13,14)(H4,8,9,10)
1,32)33)28-25-22(14-17-4-2-1-3-5-17)27-24(16-29(25)26)19-8-12-21(13-9-19)38-40(34,35)36/h1-13,16,27H,14-15H2,(H,31,32,33)(H,34,35
33)34)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,30-31H,14-15H2,(H,32,33,34)
7-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-10,18-20,22,24-26,29H,11-17H2,1-6H3
8(5-14(15)42-13)41-27-23(19(35)18(34)22(44-27)25(39)40)45-26-20(36)16(32)17(33)21(43-26)24(37)38/h1-6,16-23,26-30,32-36H,(H,37,3
12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-6,16,18-25,27-29H,7H2
8(5-14(15)32-13)31-21-18(28)16(26)17(27)19(33-21)20(29)30/h1-6,16-19,21-24,26-28H,(H,29,30)
 4(54-31)28(45)46)13-6-11(36)15-10(35)4-8(5-14(15)52-13)51-33-27(21(42)20(41)26(56-33)30(49)50)57-32-23(44)17(38)19(40)25(55-32)
21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-7,9,18,20-31,33-37H,8H2,1H3
7-7-16-11/h1-4,7,14,18H,5-6H2,(H2,13,15,16,17)
3(34)57-11)17-23(2)13-14-31(49)24(3)18-29(15-16-48)41(26(5)32(50)20-35(51)61-33)63-45-39(53)37(47(9)10)42(27(6)60-45)62-36-21-4




8-53-15(34)4-7-32)10-46-52(43,44)49-51(41,42)45-9-13-18(48-50(38,39)40)17(35)23(47-13)31-12-30-16-20(25)28-11-29-21(16)31/h7,11
6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h1
39)60-34(23(53)16(27)46)66-29-11(5-41)62-36(25(55)18(29)48)67-30-12(6-42)61-35(24(54)19(30)49)65-28-10(4-40)59-33(22(52)17(28)4
33)51-29(20(45)14(23)39)56-25-10(5-35)52-30(21(46)16(25)41)55-24-9(4-34)50-28(19(44)15(24)40)53-22-7(2-32)48-26(47)17(42)13(22)
21-11(20)8(18)7(10)17/h3-20H,1-2H2
7)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2
)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2


H,1-2H2,(H2,12,13,14)

10H,1H2,(H2,11,12,13)
10H,1H2,(H2,11,12,13)
15(35)11(31)7(3-27)42-24)45-23-17(37)18(12(32)8(4-28)41-23)43-22-16(36)13(33)9(29)6(2-26)40-22/h5-38H,1-4H2
59-27-24(56-30-23(49)20(46)15(41)10(4-36)53-30)18(44)12(6-38)55-32(27)58-26-22(48)17(43)11(5-37)54-31(26)57-25-21(47)16(42)8(2-3

10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
7(16)9(18)11(20)22-4/h3-20H,1-2H2




H2,(H,10,11)(H,12,13)




2(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-1

 2-4-21)13-14-36-27(39)10-7-25(33(48)49)38-29(41)11-8-26(34(50)51)37-28(40)9-5-23(31(44)45)24(32(46)47)6-12-30(42)43/h1-4,15,18,2
-31(5)19-12-20-32(6)25-26-40-33-23-24-36-37(27-33)39-35-22-8-7-21-34(35)38-36/h7-8,13,15,17,19,21-24,27,32H,9-12,14,16,18,20,25-2
4-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)4




6(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3
4-5-28-21(36)18(35)25(2,3)9-48-54(45,46)51-53(43,44)47-8-13-17(50-52(40,41)42)16(34)22(49-13)32-11-31-15-19(26)29-10-30-20(15)32
 31(32)35-27)33-16-6-4-15(5-7-16)10-17(38)24(42)18(39)11-50-30-26(44)25(43)20(52-30)12-51-54(48,49)53-19(29(46)47)8-9-21(40)41/h




 7)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)

4-31(32)35-28(23)45)16-5-3-15(4-6-16)9-17(38)24(42)18(39)10-50-30-26(44)25(43)20(52-30)11-51-54(48,49)53-19(29(46)47)7-8-21(40)4




11/h2-4H2,1H3,(H,7,8)(H2,9,10,11)(H2,12,13,14)

 9)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4
 40)41)32(38-27)17-33-25(11-13-35(42)43-7)21(6)29(39-33)16-31-23(9-2)19(4)28(37-31)15-30(22)36-26;/h8-9,14-17H,1-2,10-13H2,3-7H3

17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2
2(20,21)22)5(26-31(17,18)19)3(1)24-29(11,12)13/h1-7H,(H2,8,9,10)(H2,11,12,13)(H2,14,15,16)(H2,17,18,19)(H2,20,21,22)/p-5
5,12H,3,9H2,(H,13,14)
3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18)


 40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8,12-14,31H,1,9-11H2,2
H,4,11H2,(H,13,14)
,9)(H,10,11)
 4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3
 4-2-9(14(15)17)8-11(10)18/h2-5,10-11,16,19H,6-8H2,1H3

5)16-17-25-19-26(28)18-24(6)27(25)29/h16,18-22,28-29H,7-15,17H2,1-6H3
1(3-39)59-33(13)61-29-25(53)21(49)19(47)22(50)26(29)54)5-63-64-6-10(36-8(2)42)32(58)38-14-18(46)16(44)12(4-40)60-34(14)62-30-27(


-1-8(18)12(20)9(19)2-5/h1-4,16-20,22H

7-4-2-1-3-6(7)12(16)17/h1-4,8-11,13-15H,5H2,(H,16,17)(H2,18,19,20)
 /h1-3,6,12-14H,4H2,(H,11,15)(H,16,17)
18)5-3-4-8(15)13(20)21/h6-9,11,24H,3-5,15H2,1-2H3,(H,16,18)(H,17,19)(H,20,21)(H,22,23)
 h1-10,13H2,(H,14,15)(H,16,17)
 10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
  10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)
H3,(H,9,11)(H,12,13)
11,13-14H,2,9H2,1H3,(H,10,12)
 ,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)
0,12-14H,2H2,1H3,(H,9,11)
 0-8(5)21-23(16,17)18/h4-8,11-12H,2H2,1H3,(H,9,10)(H2,13,14,15)(H2,16,17,18)
,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)
,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)
0,12-14H,2H2,1H3,(H,9,11)
,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H2,14,15,16)
 (2)16/h3-6,12H,1,7,14H2,2H3,(H,15,16)(H,17,18)
5H,2-3H2,1H3,(H,8,9)(H,11,12)(H2,13,14,15)
 -4H2,1H3,(H,10,11)(H,13,14)(H,15,16)
8,9)(H,10,11)
 H3,(H,10,11)(H,12,13)
 8(16)6(15)3-23-25(20,21)22/h5-9,14-16,19H,2-3H2,1H3,(H,12,13)(H,17,18)(H2,20,21,22)
 10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)
2/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)
10,11)(H,12,13)/p-1

,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)

17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)
H3,(H,11,12)
 1H3,(H,12,13)
,(H,9,10)(H,11,12)
 2-1-3-5-9/h1-8,16H,(H,15,17)(H,18,19)
0-5-3-2-4-6-10/h2-9H,1H3,(H,16,17)(H,18,19)
5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16)
 6-13)18(27)23-14-8-10-15(11-9-14)25(28)29/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22)

H2,(H2,10,14)(H,12,13)
12H,5H2,(H2,10,15)(H,13,14)

9,10)(H,11,12)(H3,7,8,13)

6(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2

6)17/h2-6,14H,7H2,1H3,(H,13,15)(H,16,17)

7,8)(H,9,10)(H,11,12)


4/h1-4,6,8H,5,12H2,(H,13,14)(H,16,17)
7,8)(H,9,10)
5-14(11)15/h2-7,9,18H,8H2,1H3

1-13H,5-6H2

7,8,9,10,11,12)
0-11-58-28(42)16-6-4-5-7-17(16)31-3)13-51-57(48,49)54-56(46,47)50-12-18-22(53-55(43,44)45)21(39)27(52-18)37-15-36-20-24(30)34-14




0/h2-5,7,11,13-14H,6H2,1H3,(H,15,16)
-21)11(19)20/h7,9,15,17,21H,3-6H2,1-2H3,(H,13,18)(H,14,16)(H,19,20)
-3H2,1H3,(H,11,12)(H5,5,6,7,8,9,10)
H,10,11,12)(H5,4,5,6,7,8,9)
11H2,1-2H3,(H3,12,13,14)
9(15)16/h6H,1-5H2,(H,12,14)(H,15,16)(H,17,18)(H,19,20)
14-15H,2-11,13H2,1H3,(H,16,17)

 H3,(H,9,10)(H,11,12)(H,13,14)
1(23)6-12(24)17(14(16)28)34-20-15(29)18(25-3)21(2,30)8-31-20/h10-20,25,28-30H,4-8,22-24H2,1-3H3,(H,26,27)
10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)
H,1-4H2,(H,10,11)(H,12,13)(H,14,15)(H,16,17)
1-5,10H2,(H,11,12)(H,13,14)(H,15,16)
6/h6H,2-4H2,1H3,(H,9,10)(H,12,13)(H2,14,15,16)

H,9,10)(H,11,12)
6)60-25(71)5-17(55)48(84)85)94-51-29(59-16(4)70)38(80)43(23(11-66)92-51)95-52-41(83)44(96-54-46(40(82)33(75)21(9-64)91-54)98-50
-31(65-18(5)76)52(66-27(77)6-19(61)53(92)93)96-25(12-72)47(48)104-56-30(64-17(4)75)40(86)46(24(11-71)101-56)103-58-45(91)49(106
26-48(40(85)28(62-15(2)72)52(97-26)66-27(76)6-19(61)53(92)93)104-56-31(65-18(5)75)41(86)47(24(11-71)102-56)105-58-46(91)49(106-
8)65-27(77)5-18(60)52(91)92)102-55-31(64-17(4)75)41(87)46(25(11-71)100-55)103-59-50(107-56-44(90)32(78)19(76)12-93-56)47(104-58
 8,9)(H,10,11)
35-17-6(21)2-7(22)18(16(17)32)36-20-15(31)10(23)12(28)9(4-26)34-20/h6-20,26,28-32H,2-4,21-24H2,1H3,(H,25,27)
6H,4H2,1-2H3,(H2,11,12,13,14,15)




13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)
16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h9-17,19-21,24-26,29-32H,1-
 24)11(23)8(32-15)3-31-35(27,28)33-34(25,26)30-2-7-10(22)6(21)1-29-7/h4-8,10-12,15,21-24H,1-3H2,(H,25,26)(H,27,28)(H2,16,17,18)
16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21
16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-4,7-8,10-11,1
16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1,3-4,7-8,10-11
7/h5-6,8H,1-4,11H2,(H,12,14)(H,13,15)(H,16,17)
 ,1-2H3,(H,9,10)(H,12,13)
4H2,1-3H3,(H-,10,11,13,14)/p+1




-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-6,14,16,18-24,26-28H,7-8H2
6-14(15)20-13/h1-6,13,16-18H,7H2
5)21(33)18(9-28)40-27(25)38-13-6-14(30)19-15(31)8-16(39-17(19)7-13)11-2-4-12(29)5-3-11/h2-7,10,16,18,20-30,32-36H,8-9H2,1H3

(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,15-17,19-22,25-31H,13-14,18,23-24,32H2,1-10H3




1-11)5-20-22(17,18)19/h1-4,7-9,11,14-15H,5H2,(H3-,12,16,17,18,19)/p+1
 4)18-11/h6-9,11,14-16H,1-5H2,(H2,12,17)/p+1
 1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/p+1
3,5,7H2,1H3
2-14)21-11(20)9(10)19/h3-20H,1-2H2




9-22-40-72(5)41-23-42-73(6)43-24-44-74(7)45-25-46-75(8)47-26-48-76(9)49-27-50-77(10)51-28-52-78(11)53-29-54-79(12)55-30-56-80(13




8(26-35)20(29)25-17-11-27(21(17)30)19(23(33)34)13-1-5-14(28)6-2-13/h1-8,16-17,19,28,35H,9-11,24H2,(H,25,29)(H,31,32)(H,33,34)
9-22(18(14)26)16(19(27)28)11-3-7-13(24)8-4-11/h1-8,14,16,23-24,29H,9H2,(H,20,25)(H,27,28)
H,10,11,12)(H5,4,5,6,7,8,9)

44(5)25-14-26-45(6)27-15-28-46(7)29-16-30-47(8)31-17-32-48(9)33-18-34-49(10)39-40-55-52(54)50-35-37-51(53)38-36-50/h19,21,23,25

 18(23-2)9-12(13)5-6-19-14/h3-4,8-10,14,19-21H,5-7H2,1-2H3

38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2
 5-26-16-13(25)12(24)11(23)9(4-22)27-16/h2,6-7,9,11-13,16,22-25H,3-5H2,1H3,(H2,17,18,19,20,21)
 -17(31)15(14(8-29)33-21)26-20(32)13(22)7-11-3-5-12(30)6-4-11/h3-6,9-10,13-15,17,21,29-31H,7-8,22H2,1-2H3,(H,26,32)




,7)(H2,8,9,10)
19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1
9H2,(H,10,11)(H,13,14)
4H,5-6H2,(H,13,14)(H,15,16)
11-12-63-31(47)18-6-4-3-5-17(18)19(40)7-8-22(42)43)14-56-62(53,54)59-61(51,52)55-13-20-25(58-60(48,49)50)24(44)30(57-20)39-16-38
 ,10)(H3,7,8,11)
24-22(5)27(31)15-16-28(24,6)25(26)14-18-29(23,30)7/h19,21-24,27,31H,3,9-18H2,1-2,4-8H3
  16-18(21)22/h1-2H,3-16H2,(H,19,20)(H,21,22)

 )10-11-32-27(41)24(40)29(2,3)15-50-56(47,48)53-55(45,46)49-14-18-23(52-54(42,43)44)22(39)28(51-18)36-17-35-21-25(30)33-16-34-26
22-36(5)23-13-24-37(6)25-14-26-38(7)27-15-28-39(8)29-16-30-40(9)31-32-46-49(44,45)47-48(41,42)43/h17,19,21,23,25,27,29,31H,10-16
 39(5)24-14-25-40(6)26-15-27-41(7)28-16-29-42(8)30-17-31-43(9)32-33-44-34-45(48)35-46(50-10)47(44)49/h18,20,22,24,26,28,30,32,34
 39(5)25-15-26-40(6)27-16-28-41(7)29-17-30-42(8)31-18-32-43(9)33-34-45-44(10)46(49)35-47(51-11)48(45)50/h19,21,23,25,27,29,31,33
 38(5)25-15-26-39(6)27-16-28-40(7)29-17-30-41(8)31-18-32-42(9)33-34-44-43(10)45(49)47(51)48(52-11)46(44)50/h19,21,23,25,27,29,31




9-54-16(35)4-3-8-33)11-47-53(44,45)50-52(42,43)46-10-14-19(49-51(39,40)41)18(36)24(48-14)32-13-31-17-21(26)29-12-30-22(17)32/h3
6-7-30-25(40)22(39)27(2,3)12-49-55(46,47)52-54(44,45)48-11-16-21(51-53(41,42)43)20(38)26(50-16)34-14-33-19-23(28)31-13-32-24(19
4(51)44-36-40(64-35(52)26-30(49)22-20-18-16-14-12-10-8-6-4-2)38(54)31(27-47)63-42(36)65-68(59,60)66-67(57,58)61-28-32-37(53)39(

 )22(7)46-33(41)21(6)31(47-26-13-25(42-11)28(38)23(8)45-26)20(5)30(16)48-34-29(39)24(36(9)10)12-17(2)44-34/h16-31,34,37-39H,12-1
 3)22(7)48-33(40)21(6)30(49-26-13-25(44-11)28(38)23(8)47-26)20(5)29(16)50-34-31(51-52(41,42)43)24(36(9)10)12-17(2)46-34/h16-31,3
 19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)
 -18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28
39-22-40-85(5)41-23-42-86(6)43-24-44-87(7)45-25-46-88(8)47-26-48-89(9)49-27-50-90(10)51-28-52-91(11)53-29-54-92(12)55-30-56-93(1
4(16)18(15)24)30-22-21(27)20(26)19(25)17(9-23)31-22/h2-8,10,17,19-23,25-27H,9H2,1H3
 4(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,27,30-31H,14-15H2


(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)
 15(20)21)12(19)6-10/h3-6,17-19H,1-2H3,(H,20,21)
 16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,8-9


8,9)(H,11,12)(H,13,14)
 ,10,11)(H,12,13)
 6-53-22(37)21(35)36)8-46-52(43,44)49-51(41,42)45-7-11-15(48-50(38,39)40)14(32)20(47-11)30-10-29-13-17(24)27-9-28-18(13)30/h9-11

 27-18(12-26-19)15-11-25-16-8-5-4-7-14(15)16/h4-5,7-8,11-13,25H,3,6,9-10H2,1-2H3,(H4,22,23,24)(H,26,28,29)

3-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(

 4-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)
 4-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)
5-9/h1-3,13H,4H2
 )32)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(13-9-19)37-39(33,34)35/h1-13,16H,14-15H2,(H,26,28,29)(H,30,31,32)(H,33
0-11-59-21(40)12-18(38)17-6-4-3-5-7-17)14-52-58(49,50)55-57(47,48)51-13-19-24(54-56(44,45)46)23(41)29(53-19)37-16-36-22-26(31)34
1H2,(H,12,13)




5-3-17(10)12-9(21)8(20)5(29-12)2-28-30(25,26)27/h3-5,8-9,12,20-21H,1-2,14H2,(H,16,22)(H,18,19)(H,23,24)(H2,25,26,27)

 0-14(15)7-8-22(17)12-16(13)21(18)26-4/h13-21H,5-12H2,1-4H3/p+1
H,2-15H2,1H3
/h2-15H2,1H3,(H,17,18)
 7)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3
5-16-18(20)17-26-27(22,23)24/h2-17H2,1H3,(H2,22,23,24)
 -28(46)65-21-20-39-27(45)18-19-40-35(49)32(48)37(2,3)23-58-64(55,56)61-63(53,54)57-22-26-31(60-62(50,51)52)30(47)36(59-26)44-25
(H2,6,7,8)(H2,9,10,11)
-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)
 -18/h9,14,16,18H,3-7H2,1-2H3,(H,12,15)(H,13,17)
H,3-5H2,1-2H3,(H,10,15)(H,12,13)
-6H2,1-2H3,(H,10,14)

(25-27(20,21)22)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16H,1H2,(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)
5-9-18-25(71-75(56,57)58)24(50)32(67-18)46-15-44-23-28(36)40-13-42-30(23)46)26(51)31(52)38-4-3-19(48)37-5-6-79-10-16(47)7-21(49)
7(27-29(17,18)19)4(26-10)1-25-30(20,21)28-31(22,23)24/h2-4,6-7,10,16H,1H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)(H,22,23,24)
12)13/h5-8H,3-4H2,1-2H3
 (12)13/h5-8H,3-4H2,1-2H3


-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-7,16-19,21-28H,8H2
 6-14(11)20-15/h1-7,16-19H
16)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/p-1
)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)




-24(38)21(37)26(2,3)12-47-53(44,45)50-52(42,43)46-11-15-20(49-51(39,40)41)19(36)25(48-15)33-14-32-18-22(27)30-13-31-23(18)33/h1

11(21)3-4-14(17)19(15)25-18(12)13/h3-6,9,15,19,21-23H,7-8,10H2,1-2H3

6/h1-8,15-16H
 15(16)8-10-18/h5,7,11,15-17,19H,2-4,6,8-10H2,1H3




2,10,11,12,13)


7)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2
8(22,24)35-21(30)11-9-2)12-15(3)14-26(32)19(27)13-16(4)23(26)31/h12-13,17-19,22,24,32-33H,8-11,14H2,1-7H3
22(28)16(10-13(3)19(22)26)23(15,29)14(4)20(24)27/h9-10,14-16,18,20,27-29H,7-8,11H2,1-6H3


,(H,7,8)(H2,9,10,11)/p-1




 33-14)1-31-35(25,26)27)20(3-17-7)15-11(24)9(22)6(34-15)2-32-36(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H2,25,26,27)(H2,28,29,30)
 37-14)1-35-41(25,26)27)20(3-17-7)15-11(24)9(22)6(38-15)2-36-43(31,32)40-44(33,34)39-42(28,29)30/h3-6,8-11,14-16,21-24H,1-2H2,(H,
 8)1-20-22(17,18)19/h2-3,5-6,8,13-14H,1,10H2,(H,15,16)(H2,17,18,19)
16)4(23-10)1-22-24(19,20)21/h2-4,6-7,10,16-17H,1H2,(H2,11,18)(H,13,15)(H2,19,20,21)
 34-14)1-32-36(26,27)28)20(4-19-7)15-11(24)9(22)6(35-15)2-33-37(29,30)31/h3-6,8-11,14-15,21-24H,1-2H2,(H2,16,25)(H,17,18)(H2,26,2
 2)2-33-36(27,28)29)20(5-19-9)15-12(25)11(24)8(35-15)3-34-37(30,31)32/h4-5,7-8,10-12,15,22-25H,1-3H2,(H2,16,26)(H,17,18)(H2,27,28,


H,6,7)(H2,8,9,10)
)11(15)16/h1-3,7,14H,4H2,(H,15,16)

 15-20(21)22/h15-18H,6-14H2,1-5H3,(H,21,22)

(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h11-12,19-22,27-30H,13-18,23-26,31-32H2,1-10H3
 5-16-21/h15,17-19,21H,6-14,16H2,1-5H3
2)16(19)15-20/h16-18,20-22H,2-15,19H2,1H3
 (5)15-16-26-29(24,25)27-28(21,22)23/h15,17-19H,6-14,16H2,1-5H3,(H,24,25)(H2,21,22,23)




43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27
43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27
43(5)27-16-28-44(6)29-17-30-45(7)31-18-32-46(8)33-19-34-47(9)35-20-36-48(10)37-38-51-39-52(54)49(11)50(12)53(51)55/h21,23,25,27

 -2)18(23)8-14-13-6-4-5-7-16(13)22-19(14)17/h3-7,11,14-15,17-18H,8-10H2,1-2H3
2/h4,6-7H,3,5,8H2,1-2H3,(H,13,14)(H2,10,11,12)

5,12H,1-4,11H2,(H,13,14)(H,15,16)
)11-17-4-3-15(22-17)9-13(1)21-14/h1-12,21,24H

5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
)7-4(16)2-21-23(19,20)22-7/h1,4,6-7,13,16-17H,2H2,(H,19,20)(H4,11,12,14,15,18)/p-1
 (14,2)19(16)9-11-21(17,18)3/h9,12,16-18H,4-8,10-11H2,1-3H3
 21(18,2)13-10-19(17)20/h14-19H,3-13H2,1-2H3
 21(18,2)13-10-19(17)20/h15-19,22H,3-14H2,1-2H3
 (14,2)19(16)9-11-21(17,18)3/h13-19,22-23H,4-12H2,1-3H3
 (14,2)19(16)9-11-21(17,18)3/h4,15-19,23H,5-12H2,1-3H3


4,6,11H,5H2,(H,13,14)(H,15,16)
 19(20)21/h15-18H,6-14H2,1-5H3,(H,20,21)

H,1-4,9H2,(H,13,14)
(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3




6)19(35)24(2,3)10-45-51(42,43)48-50(40,41)44-9-13-18(47-49(37,38)39)17(34)23(46-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,1

 -8-11(14)15-4-16-12(8)18/h4-6,9-10,13,20-21H,2-3H2,1H3,(H2,14,15,16)
 4-18)10-7-4-5-8-11-20(22)23/h4,7,12-13,15-19,21H,2-3,5-6,8-11,14H2,1H3,(H,22,23)
 4(32)19(13)28(17)37)21-15(33)7-16(34)22-24(21)30(39)25-18(29(22)38)9(2)41-11(4)27(25)36/h5-11,26-27,31-37H,1-4H3
9)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H4,

 22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8H,4-6,9-11H2,1H3
0)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,35-38H,1-2,9-16H2,3-6H3,(H,39,40
0)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25/h7-8,13-16,35,38H,1-2,9-12H2,3-6H3,(H
5)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)


 -9(15)11-8(3)14/h1,4-7,12-13H,2H2,(H2,16,17,18)(H2,10,11,14,15)

8(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3

-16-8-3-1-7(2-4-8)13(22)23/h1-4,6,16H,5H2,(H,22,23)(H3,15,17,19,20,21)
2-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)




-3,11H,4H2,1H3,(H2,12,13,14)

3,11H,2,4,9H2,1H3,(H2,12,13,14)

,10-11H,3-4H2,1H3,(H2,12,13,14)
-2-10-5-11/h1-3,6-9,12-13H,4-5H2,(H2,14,15,16)




5)19(23-6)17(15)21/h8,10,20-21H,7,9,11H2,1-6H3
28-30(23,24)25)6-1-2-8(17)10(3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)
 -34(25,26)27)13(18)12-9(17)4-7(5-11(12)28-14)29-32(19,20)21/h1-5,16-17H,(H,19,20,21)(H,22,23,24)(H,25,26,27)
28-30(23,24)25)6-1-2-10(8(17)3-6)27-29(20,21)22/h1-5,16-18H,(H,20,21,22)(H,23,24,25)
14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3
 17)6-12(14)21-2/h3-6,17-18H,1-2H3
6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)

1-2H2,(H,11,12)
6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3




3-1-2-5(11(16)17)7(13)12(18)19/h1-3,6,8-10,14-15H,4H2,(H3-,16,17,18,19,20,21,22)/p+1
 18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
-3-8(15)14-7(5-25)11(18)19/h7,9,16,25H,3-6H2,1-2H3,(H,13,17)(H,14,15)(H,18,19)(H2,20,21,22)
H,2-3,6H2,1H3,(H,11,13)
)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
 11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3
 21(36)18(35)24(2,3)9-46-52(43,44)49-51(41,42)45-8-13-17(48-50(38,39)40)16(34)22(47-13)31-11-30-15-19(25)28-10-29-20(15)31/h10-1

9)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3
3,5,7H2,1H3
 -11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2


H,7,8)(H2,9,10,11)
0)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3
 (23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2
 3)9-17(19(13)24(27)35-11(2)31)29(16)25(12)37-26-22(34)21(33)20(32)18(10-30)36-26/h3-7,13,16-22,24-26,30,32-34H,8-10H2,1-2H3
16(27(44)45)5-7-22(39)40)52-53(49,50)51-11-20(37)23(41)19(36)10-34-18-9-14(35)3-2-13(18)8-15-24(34)32-29(48)33-26(15)43/h2-3,9,1
41(5)26-16-27-42(6)28-17-29-43(7)30-18-31-44(8)32-19-33-45(9)36-37-47-46(10)50(52)48-34-11-12-35-49(48)51(47)53/h11-12,20,22,24
4(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,27,30-31H,14-15H2
4-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3
-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)
4-20(19,4)5/h6,8-9,11-13,21H,7,10,14-15H2,1-5H3


1H3,(H2,10,11,12)

6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)

H,1H2,(H2,10,11,12)
2)13/h2-7H,1H2,(H2,8,9,10)(H2,11,12,13)
 ,(H2,9,10,11)
 2H2,(H2,10,11,12)

2H2,(H2,10,11,12)

 6-27(42)43)28-29(34(24)47)33(46)22(6)36-30(28)37(48)39(8,54-36)52-14-13-25(50-9)19(3)35(53-23(7)41)21(5)32(45)20(4)31(17)44/h10
 6-26(42)53-39)29-27(33(24)46)32(45)22(6)35-28(29)36(47)38(8,54-35)50-14-13-25(49-9)19(3)34(52-23(7)41)21(5)31(44)20(4)30(17)43/
6/h1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)
 4)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)
3)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H


 18(20)21/h17,19H,2-16H2,1H3,(H,20,21)
 6-14(23)24)7-32-12-3-1-8(20(28)29)5-11(12)21(30)31/h1,3,5,9-10H,2,4,6-7,17H2,(H4-2,18,19,22,23,24,25,26,27,28,29,30,31)/p+2
 8-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h1
8-56-25(39)13-3-4-16(35)49-13)10-48-55(45,46)52-54(43,44)47-9-14-19(51-53(40,41)42)18(36)24(50-14)33-12-32-17-21(27)30-11-31-22
)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
5,14-15H,1-2H2,(H2,9,10,11)
 H,2-7H2,1H3,(H2,11,13)
7)3-2-7(13)12(21)22/h7-8H,2-5,13H2,1H3,(H,14,20)(H,15,17)(H,18,19)(H,21,22)
18)13(2,3)8-23-24(20,21)22/h11,18H,4-8H2,1-3H3,(H,14,17)(H,15,19)(H2,20,21,22)
4(26-8)20-6-19-9-12(16)17-5-18-13(9)20/h5-6,8,10-11,14,22-23H,2-4H2,1H3,(H2-,16,17,18,24,25)/p+1
 7-19-9-12(16)17-6-18-13(9)20/h6-8,10-11,14,21-22H,2-5,15H2,1H3,(H2,16,17,18)/q+1
4(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/p+1

0-11-62-31(46)19(13-22(41)42)12-18-6-4-3-5-7-18)15-55-61(52,53)58-60(50,51)54-14-20-25(57-59(47,48)49)24(43)30(56-20)39-17-38-23

 -10-23-17)6-15(20)13(12)8-16(18)21/h2-3,7-8,15,21H,4-6,9-10H2,1H3

 11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3
 19)13-3-9(17)18/h6-7,15H,1-5,12H2,(H,13,19)(H,14,16)(H,17,18)(H,20,21)
9(24)7(2-21)32-18(8)33-16-14(29)12(27)11(26)13(28)15(16)30/h6-16,18,21-22,24-30H,2-4H2,1H3,(H,19,23)(H,20,31)
16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)

9)9-12-3-5-14(20)6-4-12/h3-6,10-11,16,20-21H,7-9H2,1-2H3
 -11(13)5-6-17-14/h1-4,8-9,14,17-20H,5-7H2
 0)7-10(11)3-4-17-12/h1-2,6-8,12,17-21H,3-5H2

H,7,8)(H2,9,10,11)
2H3,(H,10,11)
0)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3
 (13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3
 8(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,6-7,15H,3-5,8-10H2
)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3
 3(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,9-10,16,22H,6-8,11H2,1-3H3
25-9)20-3-1-7-12(17)18-6-19-13(7)20/h1,3,6,8-11,14,21-22H,2,4-5,16H2,(H,23,24)(H2,17,18,19)




14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)

10-57-27(41)15-5-3-4-6-16(15)36)12-50-56(47,48)53-55(45,46)49-11-17-21(52-54(42,43)44)20(38)26(51-17)35-14-34-19-23(29)32-13-33
8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13,22H,6-8H2,1-3H3
8-11-4-5-15(23-2)18(22)17(11)19/h4-5,9-10,13-14,21-22H,6-8H2,1-3H3

 2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3

20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3

 1)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3
3(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)
7-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3




12-13H,3-4,11H2
9(22)12(27-6)19-4-18-7-10(15)16-3-17-11(7)19/h3-6,8-9,12,20-22H,1-2,14H2,(H,24,25)(H2,15,16,17)

 -6,8-9H,1H2,(H,10,11)(H2,12,13,14)

6,14H,1-2H3,(H,12,13)
10-63-22(41)6-5-17-11-18(53-3)24(42)19(12-17)54-4)14-56-62(51,52)59-61(49,50)55-13-20-26(58-60(46,47)48)25(43)31(57-20)39-16-38
15(21)9(16)7-13(19)20/h3-6,9,16H,7H2,1-2H3,(H,17,18)(H,19,20)
19)14(11-12)21-5/h6-7,10-11,19H,8-9H2,1-5H3
 3(17)18)14(19)20/h3-6,12,16H,1-2H3,(H,17,18)(H,19,20)/p-2
7,12-13H,5H2,1-2H3
 27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)
4-30-24(6-10-36(53)54)42(2,18-40(61)62)32(46-30)16-28-22(12-38(57)58)19(3-7-33(47)48)25(43-28)13-26-21(11-37(55)56)20(4-8-34(49
 7-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54
0-11H,4-7H2,1-3H3/p+1
5)15-16-28-17-23(24)18-29-30(25,26)27/h9,11,13,15,23-24H,6-8,10,12,14,16-18H2,1-5H3,(H2,25,26,27)




24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,
24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-51-54(49,50)52-53(46,47)48/h19,21,23,25,27,




 7(19)16-20/h14-15,17-18,20-21H,2-13,16,19H2,1H3
28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3

 -6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)
 19)20/h2-17H2,1H3,(H,19,20)
-18-19-30(48)67-23-22-41-29(47)20-21-42-37(51)34(50)39(2,3)25-60-66(57,58)63-65(55,56)59-24-28-33(62-64(52,53)54)32(49)38(61-28
 15-19(20)21/h2-16H2,1H3,(H,20,21)
 )16(20)14-9(19)3-2-4-10(14)23-17/h2-8,18-19H,1H3
0)21)5-7-14(12)15(16)8-10-18/h5,7,11,15-17H,2-4,6,8-10H2,1H3,(H,19,20,21)
14)17/h12-17H,1-11H2
31)6(3-29)38-17)18(37-5)39-15-8(28-20(24)25)11(32)7(27-19(22)23)12(33)14(15)35/h4-18,26,29,31-36H,3H2,1-2H3,(H4,22,23,27)(H4,24
 -18(14)29-21)17(25(34)35-2)12-36-26(13)38-27-24(33)23(32)22(31)20(11-30)37-27/h3-7,12-13,16,19-20,22-24,26-33H,1,8-11H2,2H3
 -18-19-14(8-9-22-18)13-6-4-5-7-17(13)23-19/h3-7,11-12,15,18,21-23,25H,1,8-10H2,2H3

8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32

 16(12)17)5-6-28-31(24,25)30-32(26,27)29-15(23)4-3-14(21)22/h7,9,15,23H,3-6,8H2,1-2H3,(H4-,17,18,19,21,22,24,25,26,27)/p+1
h1-3,8,10,13H,4-5H2,(H,14,15)(H,16,17)
 (20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2
 0(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)




4-3)6-9(18)7-13(14)23-2/h4-7,18-20H,1-3H3

1)13-9(19)5-8(18)6-10(13)25-17/h3-6,18-20,22H,1-2H3

26-44(5)27-15-28-45(6)29-16-30-46(7)31-17-32-47(8)33-18-34-48(9)35-19-36-49(10)37-20-38-50(11)39-40-56-59(54,55)57-58(51,52)53/h
28-48(5)29-16-30-49(6)31-17-32-50(7)33-18-34-51(8)35-19-36-52(9)37-20-38-53(10)39-21-40-54(11)41-22-42-55(12)43-44-61-64(59,60)6
 -21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18
 -21(39)12-13-34-29(43)26(42)31(2,3)17-52-58(49,50)55-57(47,48)51-16-20-25(54-56(44,45)46)24(41)30(53-20)38-19-37-23-27(32)35-18
-5-8-16(15)22-17(21)14(13-20)18(24)25-2/h4-9,19,22H,3,10-13H2,1-2H3

0(13,14)15/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15)
5,7-10H,1-2H2,(H2,11,12,13)




8-22-20-6-5-18-16-19(28)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23,28H,4-16H2,1-3H3,(H,27,29)(H,30,31,32)
-8-22-20-6-5-18-16-19(35-37(32,33)34)10-12-25(18,2)23(20)11-13-26(21,22)3/h17-23H,4-16H2,1-3H3,(H,27,28)(H,29,30,31)(H,32,33,34)
20)19(17,3)4/h7,16,18H,6,8-13H2,1-5H3
 2(19,6)11-9-18(14)21(17,4)5/h17,19-20H,2,7-13H2,1,3-6H3
8-16(13)19(15,3)4/h15,17-18,21H,2,6-12H2,1,3-5H3
11-18(12)22)19(15,3)4/h14,16-18,21-22H,2,6-11H2,1,3-5H3
5(2)20(33-16(3)29)10-11-28(24,9)13-22(35-18(5)31)23(14)27(25,7)8/h20-22,24-26H,2,10-13H2,1,3-9H3