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Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

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  • Click # to view 2D diagram of the ligand.
  • The 3-letter Ligand ID follows the Chemical Component Dictionary (CCD) used by the PDB database. When availble, the Ligand ID from ChEMBL, DrugBank, and ZINC databases are also listed in the form of CHEMBL*, DB*, and ZINC*, respectively. Click on the Ligand ID to view the ligand at RCSB PDB, ChEMBL, DrugBank or ZINC.
  • Count is the number of BioLiP entries with the ligand. The full statistics is available at lig_frequency.txt. Click Count to search the ligand through BioLiP.
  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    21401
    GOG
    CHEMBL2420930
    ZINC000001640901    		 2 C8 H6 O5 InChI=1S/C8H6O5/c9-5-3-1-
    2-4(7(10)11)6(5)8(12)13/h
    1-3,9H,(H,10,11)(H,12,13);
    MNUOZFHYBCRUOD-UHFFFAOYSA-N    		 OC(=O)c1cccc(O)c1C(O)=O; c1(c(C(O)=O)ccc
    c1O)C(O)=O; c1cc(c(c(c1)O)C(=O)O)C(=O)O    		 3-hydroxybenzene-1,2-dicarboxylic acid
    21402
    GOH
    ZINC000263621180    		 2 C11 H10 N6 O InChI=1S/C11H10N6O/c1-2-6
    -17(5-1)11-8(9-13-15-16-1
    4-9)12-10(18-11)7-3-4-7/h
    1-2,5-7H,3-4H2,(H,13,14,1
    5,16);
    WNHQAZRUEGMEKF-UHFFFAOYSA-N    		 c1ccn(c1)c2c(nc(o2)C3CC3)c4[nH]nnn4; C1C
    C1c2oc(n3cccc3)c(n2)c4[nH]nnn4    		 5-[2-cyclopropyl-5-(1H-pyrrol-1-yl)-1,3-oxazol-4-yl]-1H-1,2,3,4-tetrazole
    21403
    GOI
    ZINC000098208964    		 1 C29 H39 N3 O6 InChI=1S/C29H39N3O6/c33-2
    0-25-26(34)27(35)28(36)29
    (38-25)37-19-18-31-16-14-
    30(15-17-31)12-5-13-32-23
    -8-3-1-6-21(23)10-11-22-7
    -2-4-9-24(22)32/h1-4,6-11
    ,25-29,33-36H,5,12-20H2/t
    25-,26-,27+,28-,29-/m1/s1;
    GVUGRCGKZRTSLY-XYPQWYOHSA-N    		 OC[C@H]1O[C@@H](OCCN2CCN(CCCN3c4ccccc4C=
    Cc5ccccc35)CC2)[C@H](O)[C@@H](O)[C@@H]1O
    ; c1ccc2c(c1)C=Cc3ccccc3N2CCCN4CCN(CC4)C
    CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)
    O)O)O; OC[CH]1O[CH](OCCN2CCN(CCCN3c4cccc
    c4C=Cc5ccccc35)CC2)[CH](O)[CH](O)[CH]1O;
    O(CCN4CCN(CCCN3c1ccccc1C=Cc2ccccc23)CC4
    )C5OC(C(O)C(O)C5O)CO; c1ccc2c(c1)C=Cc3cc
    ccc3N2CCCN4CCN(CC4)CCOC5C(C(C(C(O5)CO)O)
    O)O    		 2-{4-[3-(5H-dibenzo[b,f]azepin-5-yl)propyl]piperazin-1-yl}ethyl beta-D-glucopyranoside
    21404
    GOJ
    CHEMBL4461273
    ZINC000000409316    		 7 C6 H8 N2 O2 InChI=1S/C6H8N2O2/c1-2-10
    -6(9)5-3-7-8-4-5/h3-4H,2H
    2,1H3,(H,7,8);
    KACZQOKEFKFNDB-UHFFFAOYSA-N    		 CCOC(=O)c1c[nH]nc1 ethyl 1~{H}-pyrazole-4-carboxylate
    21405
    GOK
    CHEMBL2105763
    DB12985
    ZINC000035836133    		 10 C21 H26 N6 O2 InChI=1S/C21H26N6O2/c1-26
    -14-17(18-4-2-3-5-19(18)2
    6)11-22-10-15-6-8-27(9-7-
    15)21-23-12-16(13-24-21)2
    0(28)25-29/h2-5,12-15,22,
    29H,6-11H2,1H3,(H,25,28);
    PAWIYAYFNXQGAP-UHFFFAOYSA-N    		 Cn1cc(c2c1cccc2)CNCC3CCN(CC3)c4ncc(cn4)C
    (=O)NO; Cn1cc(CNCC2CCN(CC2)c3ncc(cn3)C(=
    O)NO)c4ccccc14    		 2-[4-[[(1-methylindol-3-yl)methylamino]methyl]piperidin-1-yl]-~{N}-oxidanyl-pyrimidine-5-carboxamide
    21406
    GOL
    CHEMBL692
    DB09462
    ZINC000000895048    		 904 C3 H8 O3 InChI=1S/C3H8O3/c4-1-3(6)
    2-5/h3-6H,1-2H2;
    PEDCQBHIVMGVHV-UHFFFAOYSA-N    		 C(C(CO)O)O; OCC(O)CO GLYCEROL;
    GLYCERIN;
    PROPANE-1,2,3-TRIOL
    21407
    GOM    		 2 C15 H22 N6 O9 P InChI=1S/C15H23N6O9P/c16-
    7(1-2-9(22)23)3-28-31(26,
    27)29-4-8-11(24)12(25)15(
    30-8)21-6-20-10-13(17)18-
    5-19-14(10)21/h5-8,11-12,
    15,24-25H,1-4,16H2,(H,22,
    23)(H,26,27)(H2,17,18,19)
    /p-1/t7-,8+,11+,12+,15+/m
    0/s1;
    JDELUWYDJMPPMI-SBZSCLMQSA-M    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@](=O)([O-])OC[C@H](CCC(=O)[O
    -])[NH3+])O)O)N; Nc1ncnc2n(cnc12)[C@@H]3
    O[C@H](CO[P]([O-])(=O)OC[C@@H]([NH3+])CC
    C([O-])=O)[C@@H](O)[C@H]3O; [O-]C(=O)CCC
    ([NH3+])COP([O-])(=O)OCC3OC(n2cnc1c(ncnc
    12)N)C(O)C3O; c1nc(c2c(n1)n(cn2)C3C(C(C(
    O3)COP(=O)([O-])OCC(CCC(=O)[O-])[NH3+])O
    )O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P]([
    O-])(=O)OC[CH]([NH3+])CCC([O-])=O)[CH](O
    )[CH]3O    		 GLUTAMOL-AMP
    21408
    GON
    CHEMBL4536298
    ZINC000008996415    		 4 C23 H26 N4 O3 InChI=1S/C23H26N4O3/c24-2
    3(29)17-8-10-27(11-9-17)1
    2-13-30-18-6-7-19(21(28)1
    4-18)22-20(15-25-26-22)16
    -4-2-1-3-5-16/h1-7,14-15,
    17,28H,8-13H2,(H2,24,29)(
    H,25,26);
    PYIQTHALSLWYHD-UHFFFAOYSA-N    		 NC(=O)C1CCN(CCOc2ccc(c(O)c2)c3[nH]ncc3c4
    ccccc4)CC1; c1ccc(cc1)c2cn[nH]c2c3ccc(cc
    3O)OCCN4CCC(CC4)C(=O)N    		 1-[2-[3-oxidanyl-4-(4-phenyl-1~{H}-pyrazol-5-yl)phenoxy]ethyl]piperidine-4-carboxamide
    21409
    GOO
    CHEMBL427643    		 1 C6 H13 N O4 InChI=1S/C6H13NO4/c1-11-6
    -2(7)3(8)4(9)5(6)10/h2-6,
    8-10H,7H2,1H3/t2-,3+,4+,5
    +,6+/m0/s1;
    NLCVJSNNNWJBCS-YDMGZANHSA-N    		 CO[CH]1[CH](N)[CH](O)[CH](O)[CH]1O; CO[C
    @@H]1[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1O;
    CO[C@@H]1[C@H]([C@H]([C@H]([C@H]1O)O)O)
    N; OC1C(N)C(OC)C(O)C1O; COC1C(C(C(C1O)O)
    O)N    		 (1R,2R,3R,4S,5R)-4-amino-5-methoxycyclopentane-1,2,3-triol
    21410
    GOP
    ZINC000071758446    		 4 C11 H22 N2 O8 InChI=1S/C11H22N2O8/c12-8
    (17)2-1-5(11(20)21)13-3-6
    (15)9(18)10(19)7(16)4-14/
    h5-7,9-10,13-16,18-19H,1-
    4H2,(H2,12,17)(H,20,21)/t
    5-,6-,7+,9+,10+/m0/s1;
    VPRLICVDSGMIKO-ZSAGQLGGSA-N    		 NC(=O)CC[CH](NC[CH](O)[CH](O)[CH](O)[CH]
    (O)CO)C(O)=O; C(CC(=O)N)[C@@H](C(=O)O)NC
    [C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O; N
    C(=O)CC[C@H](NC[C@H](O)[C@@H](O)[C@H](O)
    [C@H](O)CO)C(O)=O; C(CC(=O)N)C(C(=O)O)NC
    C(C(C(C(CO)O)O)O)O    		 Glucopine
    21411
    GOQ
    CHEMBL93353
    ZINC000000000052    		 12 C17 H11 N O7 InChI=1S/C17H11NO7/c1-23-
    12-4-2-3-8-9(12)5-11(18(2
    1)22)14-10(17(19)20)6-13-
    16(15(8)14)25-7-24-13/h2-
    6H,7H2,1H3,(H,19,20);
    BBFQZRXNYIEMAW-UHFFFAOYSA-N    		 COc1cccc2c1cc(c3c(cc4OCOc4c23)C(O)=O)[N+
    ]([O-])=O; COc1cccc2c1cc(c3c2c4c(cc3C(=O
    )O)OCO4)[N+](=O)[O-]    		 8-methoxy-6-nitro-naphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
    21412
    GOR
    CHEMBL602280
    ZINC000002383163    		 8 C16 H9 N O6 InChI=1S/C16H9NO6/c18-16(
    19)10-6-12-15(23-7-22-12)
    14-9-4-2-1-3-8(9)5-11(13(
    10)14)17(20)21/h1-6H,7H2,
    (H,18,19);
    MEEXETVZNQYRSP-UHFFFAOYSA-N    		 OC(=O)c1cc2OCOc2c3c4ccccc4cc(c13)[N+]([O
    -])=O; c1ccc2c(c1)cc(c3c2c4c(cc3C(=O)O)O
    CO4)[N+](=O)[O-]    		 6-nitronaphtho[1,2-e][1,3]benzodioxole-5-carboxylic acid
    21413
    GOS
    CHEMBL404748
    ZINC000013682453    		 2 C6 H16 O12 P2 InChI=1S/C6H16O12P2/c7-3(
    1-17-19(11,12)13)5(9)6(10
    )4(8)2-18-20(14,15)16/h3-
    10H,1-2H2,(H2,11,12,13)(H
    2,14,15,16)/t3-,4+,5-,6-/
    m1/s1;
    WOYYTQHMNDWRCW-JGWLITMVSA-N    		 C(C(C(C(C(COP(=O)(O)O)O)O)O)O)OP(=O)(O)O
    ; C([C@H]([C@H]([C@@H]([C@H](COP(=O)(O)O
    )O)O)O)O)OP(=O)(O)O; O[C@@H](CO[P](O)(O)
    =O)[C@@H](O)[C@H](O)[C@H](O)CO[P](O)(O)=
    O; C(C(O)C(O)C(C(COP(=O)(O)O)O)O)OP(O)(=
    O)O; O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[
    CH](O)CO[P](O)(O)=O    		 D-Glucitol-1,6-bisphosphate;
    1,6-di-O-phosphono-D-glucitol
    21414
    GOT    		 1 C39 H75 O10 P InChI=1S/C39H75O10P/c1-3-
    5-7-9-10-11-12-13-14-15-1
    6-19-23-27-38(42)46-32-37
    (33-48-50(44,45)47-31-36(
    41)30-40)49-39(43)28-24-2
    0-17-18-22-26-35-29-34(35
    )25-21-8-6-4-2/h34-37,40-
    41H,3-33H2,1-2H3,(H,44,45
    )/t34-,35+,36+,37+/m0/s1;
    JWIOKCJPLNKYBQ-UPIAJAFBSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO
    )O)OC(=O)CCCCCCCC1CC1CCCCCC; CCCCCCCCCCC
    CCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](CO)O
    )OC(=O)CCCCCCC[C@@H]1C[C@@H]1CCCCCC; CCC
    CCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[
    C@H](O)CO)OC(=O)CCCCCCC[C@@H]1C[C@@H]1CC
    CCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O
    )(=O)OC[CH](O)CO)OC(=O)CCCCCCC[CH]1C[CH]
    1CCCCCC    		 Phospholipid PG(16:0/cy17:0)
    21415
    GOU    		 2 C12 H13 Cl N6 O InChI=1S/C12H13ClN6O/c1-6
    (2)8-3-7(20-18-8)4-19-5-1
    5-9-10(13)16-12(14)17-11(
    9)19/h3,5-6H,4H2,1-2H3,(H
    2,14,16,17);
    LLJVEUPHZCRERN-UHFFFAOYSA-N    		 CC(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N; CC(C)
    c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1    		 6-chloranyl-9-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]purin-2-amine
    21416
    GOV
    ZINC000000570841    		 4 C11 H15 N O3 InChI=1S/C11H15NO3/c1-8(1
    3)5-12-6-9-2-3-10-11(4-9)
    15-7-14-10/h2-4,8,12-13H,
    5-7H2,1H3/t8-/m0/s1;
    VIYPNISBCRFBOV-QMMMGPOBSA-N    		 C[C@@H](CNCc1ccc2c(c1)OCO2)O; C[CH](O)CN
    Cc1ccc2OCOc2c1; CC(O)CNCc1ccc2OCOc2c1; C
    [C@H](O)CNCc1ccc2OCOc2c1; CC(CNCc1ccc2c(
    c1)OCO2)O    		 (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol
    21417
    GOW
    CHEMBL3797597
    ZINC000653843991    		 4 C15 H14 N2 O3 InChI=1S/C15H14N2O3/c1-10
    -7-8-12(15(19)17-20)9-13(
    10)16-14(18)11-5-3-2-4-6-
    11/h2-9,20H,1H3,(H,16,18)
    (H,17,19);
    ROYNQMDXPFEFHJ-UHFFFAOYSA-N    		 Cc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO 3-benzamido-4-methyl-~{N}-oxidanyl-benzamide
    21418
    GOX
    CHEMBL1213470
    DB02376    		 9 C6 H12 N2 O5 InChI=1S/C6H12N2O5/c9-1-2
    -3(10)4(11)5(12)6(7-2)8-1
    3/h2-5,9-13H,1H2,(H,7,8)/
    t2-,3-,4+,5-/m1/s1;
    VBXHGXTYZGYTQG-SQOUGZDYSA-N    		 C(C1C(C(C(C(=NO)N1)O)O)O)O; C([C@@H]1[C@
    H]([C@@H]([C@H](/C(=N/O)/N1)O)O)O)O; OC[
    CH]1NC(=NO)[CH](O)[CH](O)[CH]1O; OC[C@H]
    1NC(=N\O)/[C@H](O)[C@@H](O)[C@@H]1O; OC1
    C(O)C(O)C(=N\O)\NC1CO    		 (2S,3S,4R,5R)-6-(HYDROXYAMINO)-2-(HYDROXYMETHYL)-2,3,4,5-TETRAHYDROPYRIDINE-3,4,5-TRIOL;
    D-GLUCONHYDROXIMO-1,5-LACTAM
    21419
    GOY
    CHEMBL11960
    ZINC000000155163    		 3 C11 H20 N2 O InChI=1S/C11H20N2O/c14-11
    (12-7-3-1-4-8-12)13-9-5-2
    -6-10-13/h1-10H2;
    SNOJOKOVTYPHMC-UHFFFAOYSA-N    		 C1CCN(CC1)C(=O)N2CCCCC2; O=C(N1CCCCC1)N2
    CCCCC2    		 di(piperidin-1-yl)methanone
    21420
    GOZ
    CHEMBL4596292    		 2 C20 H26 N6 O2 InChI=1S/C20H26N6O2/c21-1
    5(9-13-5-2-1-3-6-13)20(28
    )26-8-4-7-16(26)19(27)24-
    12-14-10-17(22)25-18(23)1
    1-14/h1-3,5-6,10-11,15-16
    H,4,7-9,12,21H2,(H,24,27)
    (H4,22,23,25)/t15-,16+/m1
    /s1;
    ULOXRVUIRNGIOC-CVEARBPZSA-N    		 N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3
    cc(N)nc(N)c3; N[C@H](Cc1ccccc1)C(=O)N2CC
    C[C@H]2C(=O)NCc3cc(N)nc(N)c3; c1ccc(cc1)
    CC(C(=O)N2CCCC2C(=O)NCc3cc(nc(c3)N)N)N;
    c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NC
    c3cc(nc(c3)N)N)N    		 (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[[2,6-bis(azanyl)pyridin-4-yl]methyl]pyrrolidine-2-carboxamide
    21421
    GP0
    ZINC000095920630    		 1 C11 H15 F N2 O8 InChI=1S/C11H15FN2O8/c12-
    4-1-14(10(20)13-8(4)19)9-
    7(18)11(21,3-16)6(17)5(2-
    15)22-9/h1,5-7,9,15-18,21
    H,2-3H2,(H,13,19,20)/t5-,
    6-,7+,9-,11+/m1/s1;
    ASRLDHHNHXDEKP-RZBPYSQRSA-N    		 C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)(CO)
    O)O)F; C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C
    @@]([C@@H]([C@H](O2)CO)O)(CO)O)O)F; OC[C
    H]1O[CH]([CH](O)[C](O)(CO)[CH]1O)N2C=C(F
    )C(=O)NC2=O; FC1=CN(C(=O)NC1=O)C2OC(C(O)
    C(O)(C2O)CO)CO; OC[C@H]1O[C@H]([C@H](O)[
    C@](O)(CO)[C@@H]1O)N2C=C(F)C(=O)NC2=O    		 5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucosyl]pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-[3-C-(hydroxymethyl)-D-glucosyl]pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-[3-C-(hydroxymethyl)-glucosyl]pyrimidine-2,4(1H,3H)-dione
    21422
    GP1
    DB03111
    ZINC000004097029    		 9 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-3-5
    (10)4(9)2(1-8)14-6(3)15-1
    6(11,12)13/h2-6,8-10H,1,7
    H2,(H2,11,12,13)/t2-,3-,4
    -,5-,6-/m1/s1;
    YMJBYRVFGYXULK-QZABAPFNSA-N    		 N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O
    )(O)=O; O=P(OC1OC(C(O)C(O)C1N)CO)(O)O; N
    [C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H
    ]1O[P](O)(O)=O; C([C@@H]1[C@H]([C@@H]([C
    @H]([C@H](O1)OP(=O)(O)O)N)O)O)O; C(C1C(C
    (C(C(O1)OP(=O)(O)O)N)O)O)O    		 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose;
    GLUCOSAMINE 1-PHOSPHATE;
    1-O-phosphono-alpha-D-glucosamine;
    2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose;
    2-amino-2-deoxy-1-O-phosphono-D-glucose;
    2-amino-2-deoxy-1-O-phosphono-glucose
    21423
    GP2
    CHEMBL1164951
    DB03486
    ZINC000013549556    		 4 C11 H17 N5 O10 P2 InChI=1S/C11H17N5O10P2/c1
    2-11-14-8-5(9(19)15-11)13
    -2-16(8)10-7(18)6(17)4(26
    -10)1-25-28(23,24)3-27(20
    ,21)22/h2,4,6-7,10,17-18H
    ,1,3H2,(H,23,24)(H2,20,21
    ,22)(H3,12,14,15,19)/t4-,
    6-,7-,10-/m1/s1;
    OCJWYBKRHNXUME-KQYNXXCUSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@
    ](O)(=O)C[P](O)(O)=O)[C@@H](O)[C@H]3O; c
    1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)
    O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C
    H]3O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O
    )[CH]3O; O=P(O)(O)CP(=O)(O)OCC3OC(n2cnc1
    c2N=C(N)NC1=O)C(O)C3O; c1nc2c(n1[C@H]3[C
    @@H]([C@@H]([C@H](O3)CO[P@](=O)(CP(=O)(O
    )O)O)O)O)N=C(NC2=O)N    		 PHOSPHOMETHYLPHOSPHONIC ACID GUANOSYL ESTER
    21424
    GP3
    DB03931
    ZINC000085426282    		 5 C20 H27 N10 O18 P3 InChI=1S/C20H27N10O18P3/c
    21-19-25-13-7(15(35)27-19
    )23-3-29(13)17-11(33)9(31
    )5(45-17)1-43-49(37,38)47
    -51(41,42)48-50(39,40)44-
    2-6-10(32)12(34)18(46-6)3
    0-4-24-8-14(30)26-20(22)2
    8-16(8)36/h3-6,9-12,17-18
    ,31-34H,1-2H2,(H,37,38)(H
    ,39,40)(H,41,42)(H3,21,25
    ,27,35)(H3,22,26,28,36)/t
    5-,6-,9-,10-,11-,12-,17-,
    18-/m1/s1;
    AAXYAFFKOSNMEB-MHARETSRSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@
    ](O)(=O)O[P@@](O)(=O)O[P@@](O)(=O)OC[C@H
    ]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6C(=O)NC(
    =Nc56)N)[C@@H](O)[C@H]3O; c1nc2c(n1[C@H]
    3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP
    (=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H](
    [C@@H](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=
    C(NC2=O)N; c1nc2c(n1C3C(C(C(O3)COP(=O)(O
    )OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5
    N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N; NC1=Nc2
    n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P
    ](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[
    CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3
    O    		 DIGUANOSINE-5'-TRIPHOSPHATE
    21425
    GP4
    ZINC000005830060    		 2 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-3-4
    (9)5(15-16(11,12)13)2(1-8
    )14-6(3)10/h2-6,8-10H,1,7
    H2,(H2,11,12,13)/t2-,3-,4
    -,5-,6+/m1/s1;
    QWDBGVNDGYUIAC-UKFBFLRUSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N
    )O)OP(=O)(O)O)O; C(C1C(C(C(C(O1)O)N)O)OP
    (=O)(O)O)O; N[CH]1[CH](O)O[CH](CO)[CH](O
    [P](O)(O)=O)[CH]1O; N[C@H]1[C@@H](O)O[C@
    H](CO)[C@@H](O[P](O)(O)=O)[C@@H]1O; O=P(
    O)(O)OC1C(OC(O)C(N)C1O)CO    		 2-amino-2-deoxy-4-O-phosphono-alpha-D-glucopyranose;
    GLUCOSAMINE 4-PHOSPHATE;
    N-acetyl-4-O-phosphono-alpha-D-glucosamine;
    2-amino-2-deoxy-4-O-phosphono-alpha-D-glucose;
    2-amino-2-deoxy-4-O-phosphono-D-glucose;
    2-amino-2-deoxy-4-O-phosphono-glucose
    21426
    GP5    		 2 C20 H29 N10 O24 P5 InChI=1S/C20H29N10O24P5/c
    21-19-25-13-7(15(35)27-19
    )23-3-29(13)17-11(33)9(31
    )5(49-17)1-47-55(37,38)51
    -57(41,42)53-59(45,46)54-
    58(43,44)52-56(39,40)48-2
    -6-10(32)12(34)18(50-6)30
    -4-24-8-14(30)26-20(22)28
    -16(8)36/h3-6,9-12,17-18,
    31-34H,1-2H2,(H,37,38)(H,
    39,40)(H,41,42)(H,43,44)(
    H,45,46)(H3,21,25,27,35)(
    H3,22,26,28,36)/t5-,6+,9-
    ,10+,11-,12+,17-,18+;
    RELSGTOCAPVUGP-DTFXMBEISA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O
    P(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n
    5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)N;
    NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)
    (=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P
    ](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc
    6C(=O)NC(=Nc56)N)[CH](O)[CH]3O; c1nc2c(n
    1[C@@H]3[C@H]([C@H]([C@@H](O3)CO[P@@](=O
    )(O)O[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)O[
    P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O
    4)n5cnc6c5N=C(NC6=O)N)O)O)O)O)N=C(NC2=O)
    N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3O[C@@H](CO
    [P@](O)(=O)O[P@@](O)(=O)O[P@](O)(=O)O[P@
    @](O)(=O)O[P@](O)(=O)OC[C@H]4O[C@H]([C@H
    ](O)[C@@H]4O)n5cnc6C(=O)NC(=Nc56)N)[C@H]
    (O)[C@@H]3O    		 DIGUANOSINE-PENTAPHOSPHATE
    21427
    GP6
    DB04336
    ZINC000002047873    		 1 C14 H13 Cl N4 O InChI=1S/C14H13ClN4O/c15-
    10-3-7-12(8-4-10)19-14(20
    )18-11-5-1-9(2-6-11)13(16
    )17/h1-8H,(H3,16,17)(H2,1
    8,19,20);
    HQWKMDKTTCPCMQ-UHFFFAOYSA-N    		 [H]N=C(c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)N;
    [H]/N=C(\c1ccc(cc1)NC(=O)Nc2ccc(cc2)Cl)/
    N; Clc2ccc(NC(=O)Nc1ccc(C(=[N@H])N)cc1)c
    c2; NC(=N)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1    		 1-(4-AMIDINOPHENYL)-3-(4-CHLOROPHENYL)UREA
    21428
    GP7
    ZINC000058626948    		 16 C36 H68 N O8 P InChI=1S/C36H68NO8P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-36(39)45-34(33
    -44-46(40,41)43-31-30-37)
    32-42-35(38)28-26-24-22-2
    0-18-16-14-12-10-8-6-4-2/
    h7,9,13,15,34H,3-6,8,10-1
    2,14,16-33,37H2,1-2H3,(H,
    40,41)/b9-7+,15-13+/t34-/
    m1/s1;
    NMIBJXZODRRZEA-NTSPIXPOSA-N    		 CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC
    (=O)CCCCCCCC=CCC=CCCC; CCCCCCCCCCCCCCC(=
    O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC
    =CCC=CCCC; CCCCCCCCCCCCCCC(=O)OC[C@H](CO
    [P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C\C\C=C\C
    CC; O=C(OCC(OC(=O)CCCCCCC/C=C/C/C=C/CCC)
    COP(=O)(OCCN)O)CCCCCCCCCCCCCC; CCCCCCCCC
    CCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(
    =O)CCCCCCCC=CC/C=C/CCC    		 (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(pentadecanoyloxy)methyl]ethyl (12E)-hexadeca-9,12-dienoate;
    1-pentadecanoyl-2-hexadecanoyl-sn-glycero-3-phosphoethanolamine
    21429
    GP8
    CHEMBL1233097
    DB03337
    ZINC000000009048    		 1 C20 H18 N4 O2 InChI=1S/C20H18N4O2/c21-1
    9(22)14-6-8-15(9-7-14)23-
    20(25)24-16-10-12-18(13-1
    1-16)26-17-4-2-1-3-5-17/h
    1-13H,(H3,21,22)(H2,23,24
    ,25);
    ZHCAYBOLUMAUQX-UHFFFAOYSA-N    		 O=C(Nc1ccc(C(=[N@H])N)cc1)Nc3ccc(Oc2cccc
    c2)cc3; c1ccc(cc1)Oc2ccc(cc2)NC(=O)Nc3cc
    c(cc3)C(=N)N; NC(=N)c1ccc(NC(=O)Nc2ccc(O
    c3ccccc3)cc2)cc1    		 1-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREA
    21430
    GP9    		 14 C3 H7 O6 P InChI=1S/C3H9O6P/c4-1-3(5
    )2-9-10(6,7)8/h3-5H,1-2H2
    ,(H2,6,7,8)/p-2/t3-/m1/s1;
    AWUCVROLDVIAJX-GSVOUGTGSA-L    		 OC[CH](O)CO[P]([O-])([O-])=O; OC[C@@H](O
    )CO[P]([O-])([O-])=O; [O-]P([O-])(=O)OCC
    (O)CO; C(C(COP(=O)([O-])[O-])O)O    		 (2R)-2,3-dihydroxypropyl phosphate
    21431
    GPA
    CHEMBL20667
    ZINC000002384694    		 3 C4 H10 N4 O2 InChI=1S/C4H10N4O2/c5-2(3
    (9)10)1-8-4(6)7/h2H,1,5H2
    ,(H,9,10)(H4,6,7,8)/t2-/m
    0/s1;
    XNBJHKABANTVCP-REOHCLBHSA-N    		 N[C@@H](CNC(N)=N)C(O)=O; [H]/N=C(/N)\NC[
    C@@H](C(=O)O)N; O=C(O)C(N)CNC(=[N@H])N;
    N[CH](CNC(N)=N)C(O)=O; [H]N=C(N)NCC(C(=O
    )O)N    		 2-AMINO-3-GUANIDINO-PROPIONIC ACID
    21432
    GPB
    CHEMBL439973
    ZINC000003874328    		 1 C21 H23 N5 O5 InChI=1S/C21H23N5O5/c1-11
    -17-14(10-23-18(17)26-21(
    22)24-11)7-4-12-2-5-13(6-
    3-12)19(29)25-15(20(30)31
    )8-9-16(27)28/h2-3,5-6,10
    ,15H,4,7-9H2,1H3,(H,25,29
    )(H,27,28)(H,30,31)(H3,22
    ,23,24,26)/t15-/m0/s1;
    FICRNCFTTZHHPO-HNNXBMFYSA-N    		 Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)C(=O)N
    [C@@H](CCC(=O)O)C(=O)O; Cc1nc(N)nc2[nH]c
    c(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)
    =O)c12; Cc1nc(N)nc2[nH]cc(CCc3ccc(cc3)C(
    =O)N[CH](CCC(O)=O)C(O)=O)c12; O=C(O)C(NC
    (=O)c1ccc(cc1)CCc3c2c(nc(nc2nc3)N)C)CCC(
    =O)O; Cc1c2c(c[nH]c2nc(n1)N)CCc3ccc(cc3)
    C(=O)NC(CCC(=O)O)C(=O)O    		 N-[4-[2-(2-AMINO-4-METHYL-7H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYL]GLUTAMIC ACID
    21433
    GPC
    ZINC000058631636    		 1 C19 H24 F N8 O11 P InChI=1S/C19H24FN8O11P/c2
    0-9-13(6(3-29)37-16(9)28-
    5-23-10-14(28)25-18(22)26
    -15(10)32)39-40(34,35)36-
    4-7-11(30)12(31)17(38-7)2
    7-2-1-8(21)24-19(27)33/h1
    -2,5-7,9,11-13,16-17,29-3
    1H,3-4H2,(H,34,35)(H2,21,
    24,33)(H3,22,25,26,32)/t6
    -,7-,9-,11-,12-,13-,16-,1
    7-/m1/s1;
    ZSBUMMSBXYRQAK-FOJQSULLSA-N    		 c1nc2c(n1C3C(C(C(O3)CO)OP(=O)(O)OCC4C(C(
    C(O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N;
    c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    )O[P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H
    ](O4)N5C=CC(=NC5=O)N)O)O)F)N=C(NC2=O)N;
    O=C5NC(=Nc1c5ncn1C4OC(CO)C(OP(=O)(O)OCC3
    OC(N2C(=O)N=C(N)C=C2)C(O)C3O)C4F)N; NC1=
    Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H]
    (O[P@](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@
    H]4O)N5C=CC(=NC5=O)N)[C@H]3F; NC1=Nc2n(c
    nc2C(=O)N1)[CH]3O[CH](CO)[CH](O[P](O)(=O
    )OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=NC5=
    O)N)[CH]3F    		 2'-FLUOROGUANYLYL-(3'-5')-PHOSPHOCYTIDINE
    21434
    GPD
    ZINC000058661248    		 8 C16 H26 N6 O13 P2 InChI=1S/C16H26N6O13P2/c1
    -5-6(17)2-7(23)15(32-5)34
    -37(29,30)35-36(27,28)31-
    3-8-10(24)11(25)14(33-8)2
    2-4-19-9-12(22)20-16(18)2
    1-13(9)26/h4-8,10-11,14-1
    5,23-25H,2-3,17H2,1H3,(H,
    27,28)(H,29,30)(H3,18,20,
    21,26)/t5-,6+,7+,8-,10-,1
    1-,14-,15-/m1/s1;
    DRNSMVBRYJDNAT-CYCRINRGSA-N    		 C[C@H]1O[C@H](O[P@@](O)(=O)O[P@](O)(=O)O
    C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=
    O)NC(=Nc34)N)[C@@H](O)C[C@@H]1N; CC1C(CC
    (C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3c
    nc4c3N=C(NC4=O)N)O)O)O)N; C[C@@H]1[C@H](
    C[C@@H]([C@H](O1)O[P@](=O)(O)O[P@@](=O)(
    O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c
    3N=C(NC4=O)N)O)O)O)N; C[CH]1O[CH](O[P](O
    )(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]
    2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)C[CH]1N;
    O=P(OC1OC(C(N)CC1O)C)(O)OP(=O)(O)OCC4OC
    (n2c3N=C(N)NC(=O)c3nc2)C(O)C4O    		 (2R,3S,5S,6R)-5-amino-3-hydroxy-6-methyl-oxan-2-yl
    21435
    GPE
    DB15872
    ZINC000004095590    		 5 C5 H14 N O6 P InChI=1S/C5H14NO6P/c6-1-2
    -11-13(9,10)12-4-5(8)3-7/
    h5,7-8H,1-4,6H2,(H,9,10)/
    t5-/m1/s1;
    JZNWSCPGTDBMEW-RXMQYKEDSA-N    		 C(CO[P@](=O)(O)OC[C@@H](CO)O)N; C(COP(=O
    )(O)OCC(CO)O)N; NCCO[P](O)(=O)OC[CH](O)C
    O; NCCO[P@@](O)(=O)OC[C@H](O)CO; O=P(OCC
    (O)CO)(OCCN)O    		 L-ALPHA-GLYCEROPHOSPHORYLETHANOLAMINE
    21436
    GPF
    CHEMBL95764
    ZINC000003872713    		 2 C3 H8 N O5 P InChI=1S/C3H8NO5P/c5-3(6)
    1-4-2-10(7,8)9/h4H,1-2H2,
    (H,5,6)(H2,7,8,9);
    XDDAORKBJWWYJS-UHFFFAOYSA-N    		 OC(=O)CNC[P](O)(O)=O; C(C(=O)O)NCP(=O)(O
    )O; O=C(O)CNCP(=O)(O)O    		 N-(phosphonomethyl)glycine
    21437
    GPG
    ZINC000058661255    		 2 C20 H25 N10 O12 P InChI=1S/C20H25N10O12P/c2
    1-19-25-13-7(15(35)27-19)
    23-3-29(13)17-11(34)9(32)
    6(41-17)2-39-43(37,38)42-
    12-10(33)5(1-31)40-18(12)
    30-4-24-8-14(30)26-20(22)
    28-16(8)36/h3-6,9-12,17-1
    8,31-34H,1-2H2,(H,37,38)(
    H3,21,25,27,35)(H3,22,26,
    28,36)/t5-,6-,9-,10-,11-,
    12-,17-,18-/m1/s1;
    YYNDAHWXMRBBRC-MHARETSRSA-N    		 O=C6NC(=Nc1c6ncn1C5OC(CO)C(O)C5OP(=O)(O)
    OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O)N; c1
    nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P
    @@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]4n5
    cnc6c5N=C(NC6=O)N)CO)O)O)O)N=C(NC2=O)N;
    NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)
    (=O)O[CH]4[CH](O)[CH](CO)O[CH]4n5cnc6C(=
    O)NC(=Nc56)N)[CH](O)[CH]3O; c1nc2c(n1C3C
    (C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5N=C(
    NC6=O)N)CO)O)O)O)N=C(NC2=O)N; NC1=Nc2n(c
    nc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)O[
    C@@H]4[C@H](O)[C@@H](CO)O[C@H]4n5cnc6C(=
    O)NC(=Nc56)N)[C@@H](O)[C@H]3O    		 GUANYLYL-2',5'-PHOSPHOGUANOSINE
    21438
    GPH
    ZINC000058631562    		 0 C7 H15 O10 P InChI=1S/C7H15O10P/c8-1-2
    (9)5-6(17-18(13,14)15)3(1
    0)4(11)7(12)16-5/h2-12H,1
    H2,(H2,13,14,15)/t2-,3-,4
    +,5-,6+,7-/m1/s1;
    JDFMKMOMBHLESC-XQCVOTFFSA-N    		 OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]
    1O[P](O)(O)=O; O=P(O)(O)OC1C(OC(O)C(O)C1
    O)C(O)CO; OC[C@@H](O)[C@H]1O[C@@H](O)[C@
    @H](O)[C@@H](O)[C@@H]1O[P](O)(O)=O; C(C(
    C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O; C([C@
    H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)
    O)O)O)OP(=O)(O)O)O)O    		 4-O-phosphono-D-glycero-beta-D-manno-heptopyranose;
    4-O-phosphono-D-glycero-beta-D-manno-heptose;
    4-O-phosphono-D-glycero-D-manno-heptose;
    4-O-phosphono-D-glycero-manno-heptose
    21439
    GPI
    CHEMBL6367
    DB01951
    ZINC000003827029    		 1 C20 H28 N2 O4 InChI=1S/C20H28N2O4/c1-4-
    20(2,3)17(23)18(24)22-12-
    6-10-16(22)19(25)26-13-7-
    9-15-8-5-11-21-14-15/h5,8
    ,11,14,16H,4,6-7,9-10,12-
    13H2,1-3H3/t16-/m0/s1;
    OQAHHWOPVDDWHD-INIZCTEOSA-N    		 CCC(C)(C)C(=O)C(=O)N1CCCC1C(=O)OCCCc2ccc
    nc2; CCC(C)(C)C(=O)C(=O)N1CCC[CH]1C(=O)O
    CCCc2cccnc2; CCC(C)(C)C(=O)C(=O)N1CCC[C@
    H]1C(=O)OCCCc2cccnc2; O=C(OCCCc1cccnc1)C
    2N(C(=O)C(=O)C(C)(C)CC)CCC2    		 (2S)-[3-PYRIDYL-1-PROPYL]-1-[3,3-DIMETHYL-1,2-DIOXOPENTYL]-2-PYRROLIDINECARBOXYLATE;
    GPI-1046
    21440
    GPJ
    DB04539    		 29 C3 H9 N O5 P InChI=1S/C3H8NO5P/c5-3(6)
    1-4-2-10(7,8)9/h4H,1-2H2,
    (H,5,6)(H2,7,8,9)/p+1;
    XDDAORKBJWWYJS-UHFFFAOYSA-O    		 C(C(=O)O)[NH2+]CP(=O)(O)O; OC(=O)C[NH2+]
    C[P](O)(O)=O; O=C(O)C[NH2+]CP(=O)(O)O    		 GLYPHOSATE
    21441
    GPK
    CHEMBL4081944
    ZINC000034400982    		 1 C10 H13 F N2 O7 InChI=1S/C10H13FN2O7/c11-
    3-1-13(10(19)12-8(3)18)9-
    7(17)6(16)5(15)4(2-14)20-
    9/h1,4-7,9,14-17H,2H2,(H,
    12,18,19)/t4-,5-,6+,7-,9-
    /m1/s1;
    YHWGRVDTEORPPJ-XSEHCYKFSA-N    		 OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(
    F)C(=O)NC2=O; OC[C@H]1O[C@H]([C@H](O)[C@
    @H](O)[C@@H]1O)N2C=C(F)C(=O)NC2=O; FC1=C
    N(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO; C1=C(C
    (=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C@@H]([C
    @H](O2)CO)O)O)O)F; C1=C(C(=O)NC(=O)N1C2C
    (C(C(C(O2)CO)O)O)O)F    		 5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-fluoro-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione
    21442
    GPL
    ZINC000058631639    		 0 C16 H26 N7 O9 P InChI=1S/C16H26N7O9P/c17-
    7(15(27)28)3-1-2-4-20-33(
    29,30)31-5-8-10(24)11(25)
    14(32-8)23-6-19-9-12(23)2
    1-16(18)22-13(9)26/h6-8,1
    0-11,14,24-25H,1-5,17H2,(
    H,27,28)(H2,20,29,30)(H3,
    18,21,22,26)/t7-,8+,10+,1
    1+,14+/m0/s1;
    FYWIJTNESKGCIU-TWBCTODHSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(NCCCCC(C(=O)
    O)N)O)O)O)N=C(NC2=O)N; N[CH](CCCCN[P](O)
    (=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3C(=
    O)NC(=Nc23)N)C(O)=O; c1nc2c(n1[C@H]3[C@@
    H]([C@@H]([C@H](O3)CO[P@](=O)(NCCCC[C@@H
    ](C(=O)O)N)O)O)O)N=C(NC2=O)N; N[C@@H](CC
    CCN[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C
    @@H]1O)n2cnc3C(=O)NC(=Nc23)N)C(O)=O; O=C
    (O)C(N)CCCCNP(=O)(O)OCC3OC(n2cnc1c2N=C(N
    )NC1=O)C(O)C3O    		 LYSINE GUANOSINE-5'-MONOPHOSPHATE
    21443
    GPM
    ZINC000024987860    		 6 C7 H15 O8 P InChI=1S/C7H15O8P/c8-1-3-
    5(9)7(11)6(10)4(15-3)2-16
    (12,13)14/h3-11H,1-2H2,(H
    2,12,13,14)/t3-,4-,5-,6+,
    7+/m1/s1;
    XRMRHVWWWWFMKR-OVHBTUCOSA-N    		 OC[CH]1O[CH](C[P](O)(O)=O)[CH](O)[CH](O)
    [CH]1O; C(C1C(C(C(C(O1)CP(=O)(O)O)O)O)O)
    O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)
    CP(=O)(O)O)O)O)O)O; O=P(O)(O)CC1OC(C(O)C
    (O)C1O)CO; OC[C@H]1O[C@H](C[P](O)(O)=O)[
    C@H](O)[C@@H](O)[C@@H]1O    		 (1S)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol;
    GLUCOPYRANOSYL-1-METHYL-PHOSPHONIC ACID;
    Alpha-1 phosphonomethylene-D-glucopyranose
    21444
    GPN    		 0 C11 H16 N7 O4 InChI=1S/C11H15N7O4/c12-1
    -2-17(4-7(20)21)6(19)3-18
    -5-14-8-9(18)15-11(13)16-
    10(8)22/h5H,1-4,12H2,(H,2
    0,21)(H3,13,15,16,22)/p+1;
    WYRWRGIGYVLOGE-UHFFFAOYSA-O    		 NC1=Nc2n(CC(=O)N(CC[NH3+])CC(O)=O)cnc2C(
    =O)N1; c1nc2c(n1CC(=O)N(CC[NH3+])CC(=O)O
    )N=C(NC2=O)N; O=C(O)CN(C(=O)Cn1c2N=C(NC(
    =O)c2nc1)N)CC[NH3+]    		 2-AMINOETHYLGLYCINE-CARBONYLMETHYLENE-GUANINE
    21445
    GPO    		 0 C7 H15 O10 P InChI=1S/C7H15O10P/c8-1-2
    (9)5-6(17-18(13,14)15)3(1
    0)4(11)7(12)16-5/h2-12H,1
    H2,(H2,13,14,15)/t2-,3-,4
    +,5-,6+,7-/m1/s1;
    JDFMKMOMBHLESC-XQCVOTFFSA-N    		 OC[CH](O)[CH]1O[CH](O)[CH](O)[CH](O)[CH]
    1O[P](O)(O)=O; O=P(O)(O)OC1C(OC(O)C(O)C1
    O)C(O)CO; OC[C@@H](O)[C@H]1O[C@@H](O)[C@
    @H](O)[C@@H](O)[C@@H]1O[P](O)(O)=O; C(C(
    C1C(C(C(C(O1)O)O)O)OP(=O)(O)O)O)O; C([C@
    H]([C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)
    O)O)O)OP(=O)(O)O)O)O    		 4-O-phosphono-D-glycero-beta-D-manno-heptopyranose;
    4-O-phosphono-D-glycero-beta-D-manno-heptose;
    4-O-phosphono-D-glycero-D-manno-heptose;
    4-O-phosphono-D-glycero-manno-heptose
    21446
    GPP
    CHEMBL41342
    DB02552
    ZINC000008215849    		 95 C10 H20 O7 P2 InChI=1S/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,14,15)(H
    2,11,12,13)/b10-7+;
    GVVPGTZRZFNKDS-JXMROGBWSA-N    		 CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C; CC(
    =CCC/C(=C/CO[P@@](=O)(O)OP(=O)(O)O)/C)C;
    CC(C)=CCCC(/C)=C/CO[P@](O)(=O)O[P](O)(O
    )=O; CC(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(
    O)=O; O=P(OP(=O)(OC/C=C(/CC\C=C(/C)C)C)O
    )(O)O    		 GERANYL DIPHOSPHATE
    21447
    GPQ
    CHEMBL2041081
    ZINC000084704255    		 1 C10 H13 Cl N2 O7 InChI=1S/C10H13ClN2O7/c11
    -3-1-13(10(19)12-8(3)18)9
    -7(17)6(16)5(15)4(2-14)20
    -9/h1,4-7,9,14-17H,2H2,(H
    ,12,18,19)/t4-,5-,6+,7-,9
    -/m1/s1;
    NONSBAHWXCNSII-XSEHCYKFSA-N    		 OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(
    Cl)C(=O)NC2=O; ClC1=CN(C(=O)NC1=O)C2OC(C
    (O)C(O)C2O)CO; C1=C(C(=O)NC(=O)N1C2C(C(C
    (C(O2)CO)O)O)O)Cl; OC[C@H]1O[C@H]([C@H](
    O)[C@@H](O)[C@@H]1O)N2C=C(Cl)C(=O)NC2=O;
    C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H]([C
    @@H]([C@H](O2)CO)O)O)O)Cl    		 5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione;
    5-chloro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-chloro-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-chloro-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione
    21448
    GPR
    DB01834
    ZINC000015685338    		 10 C24 H27 N3 O7 S InChI=1S/C24H27N3O7S/c25-
    17(24(33)34)9-10-19(28)27
    -18(23(32)26-11-20(29)30)
    12-35-22-16-8-4-2-6-14(16
    )13-5-1-3-7-15(13)21(22)3
    1/h1-8,17-18,21-22,31H,9-
    12,25H2,(H,26,32)(H,27,28
    )(H,29,30)(H,33,34)/t17-,
    18-,21+,22+/m0/s1;
    JNNIZILNBMPOAC-MOXQZVSFSA-N    		 c1ccc2c(c1)-c3ccccc3C(C2O)SCC(C(=O)NCC(=
    O)O)NC(=O)CCC(C(=O)O)N; c1ccc2c(c1)-c3cc
    ccc3[C@H]([C@@H]2O)SC[C@@H](C(=O)NCC(=O)
    O)NC(=O)CC[C@@H](C(=O)O)N; N[C@@H](CCC(=
    O)N[C@@H](CS[C@H]1[C@H](O)c2ccccc2c3cccc
    c13)C(=O)NCC(O)=O)C(O)=O; O=C(O)C(N)CCC(
    =O)NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc
    2)C3O; N[CH](CCC(=O)N[CH](CS[CH]1[CH](O)
    c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O    		 (9R,10R)-9-(S-GLUTATHIONYL)-10-HYDROXY-9,10-DIHYDROPHENANTHRENE
    21449
    GPS
    DB04187
    ZINC000012501153    		 12 C24 H27 N3 O7 S InChI=1S/C24H27N3O7S/c25-
    17(24(33)34)9-10-19(28)27
    -18(23(32)26-11-20(29)30)
    12-35-22-16-8-4-2-6-14(16
    )13-5-1-3-7-15(13)21(22)3
    1/h1-8,17-18,21-22,31H,9-
    12,25H2,(H,26,32)(H,27,28
    )(H,29,30)(H,33,34)/t17-,
    18-,21-,22-/m0/s1;
    JNNIZILNBMPOAC-GPHNJDIKSA-N    		 c1ccc2c(c1)-c3ccccc3C(C2O)SCC(C(=O)NCC(=
    O)O)NC(=O)CCC(C(=O)O)N; O=C(O)C(N)CCC(=O
    )NC(C(=O)NCC(=O)O)CSC3c1ccccc1c2c(cccc2)
    C3O; c1ccc2c(c1)-c3ccccc3[C@@H]([C@H]2O)
    SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(
    =O)O)N; N[CH](CCC(=O)N[CH](CS[CH]1[CH](O
    )c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O;
    N[C@@H](CCC(=O)N[C@@H](CS[C@@H]1[C@@H](
    O)c2ccccc2c3ccccc13)C(=O)NCC(O)=O)C(O)=O    		 L-gamma-glutamyl-S-[(9S,10S)-10-hydroxy-9,10-dihydrophenanthren-9-yl]-L-cysteinylglycine
    21450
    GPT
    ZINC000058650491    		 6 C15 H22 F N O4 InChI=1S/C15H22FNO4/c1-14
    (21)11(7-8-16)13(20)17-15
    (14,9-18)12(19)10-5-3-2-4
    -6-10/h3,5,9-12,19,21H,2,
    4,6-8H2,1H3,(H,17,20)/t10
    -,11+,12+,14+,15-/m1/s1;
    XVSPEIROBXUXKM-FUQNVFFISA-N    		 C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H
    ]2CCCC=C2)O)CCF)O; C[C@]1(O)[C@@H](CCF)C
    (=O)N[C@]1(C=O)[C@@H](O)[C@H]2CCCC=C2; O
    =CC1(NC(=O)C(C1(O)C)CCF)C(O)C2C=CCCC2; C
    [C]1(O)[CH](CCF)C(=O)N[C]1(C=O)[CH](O)[C
    H]2CCCC=C2; CC1(C(C(=O)NC1(C=O)C(C2CCCC=
    C2)O)CCF)O    		 (2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbaldehyde
    21451
    GPU
    CHEMBL2041082
    ZINC000084671506    		 1 C10 H13 Br N2 O7 InChI=1S/C10H13BrN2O7/c11
    -3-1-13(10(19)12-8(3)18)9
    -7(17)6(16)5(15)4(2-14)20
    -9/h1,4-7,9,14-17H,2H2,(H
    ,12,18,19)/t4-,5-,6+,7-,9
    -/m1/s1;
    QNNGZNNVDUDIOK-XSEHCYKFSA-N    		 OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2C=C(
    Br)C(=O)NC2=O; C1=C(C(=O)NC(=O)N1[C@H]2[
    C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)Br;
    OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1
    O)N2C=C(Br)C(=O)NC2=O; BrC1=CN(C(=O)NC1=
    O)C2OC(C(O)C(O)C2O)CO; C1=C(C(=O)NC(=O)N
    1C2C(C(C(C(O2)CO)O)O)O)Br    		 5-bromo-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione;
    5-bromo-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-bromo-1-(D-glucosyl)pyrimidine-2,4(1H,3H)-dione;
    5-bromo-1-(glucosyl)pyrimidine-2,4(1H,3H)-dione
    21452
    GPV
    CHEMBL2040853
    ZINC000084671507    		 1 C10 H13 I N2 O7 InChI=1S/C10H13IN2O7/c11-
    3-1-13(10(19)12-8(3)18)9-
    7(17)6(16)5(15)4(2-14)20-
    9/h1,4-7,9,14-17H,2H2,(H,
    12,18,19)/t4-,5-,6+,7-,9-
    /m1/s1;
    NKQVRMXGIOZKRJ-XSEHCYKFSA-N    		 C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)
    I; C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@H](
    [C@@H]([C@H](O2)CO)O)O)O)I; IC1=CN(C(=O)
    NC1=O)C2OC(C(O)C(O)C2O)CO; OC[C@H]1O[C@H
    ]([C@H](O)[C@@H](O)[C@@H]1O)N2C=C(I)C(=O
    )NC2=O; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1
    O)N2C=C(I)C(=O)NC2=O    		 1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione;
    1-(beta-D-glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione;
    1-(D-glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione;
    1-(glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione
    21453
    GPW
    ZINC000095920631    		 1 C11 H13 F3 N2 O7 InChI=1S/C11H13F3N2O7/c12
    -11(13,14)3-1-16(10(22)15
    -8(3)21)9-7(20)6(19)5(18)
    4(2-17)23-9/h1,4-7,9,17-2
    0H,2H2,(H,15,21,22)/t4-,5
    -,6+,7-,9-/m1/s1;
    NADUQTKHANBUDE-XSEHCYKFSA-N    		 C1=C(C(=O)NC(=O)N1C2C(C(C(C(O2)CO)O)O)O)
    C(F)(F)F; OC[C@H]1O[C@H]([C@H](O)[C@@H](
    O)[C@@H]1O)N2C=C(C(=O)NC2=O)C(F)(F)F; FC
    (F)(F)C1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)
    CO; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)N2
    C=C(C(=O)NC2=O)C(F)(F)F; C1=C(C(=O)NC(=O
    )N1[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO
    )O)O)O)C(F)(F)F    		 1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;
    1-(beta-D-glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;
    1-(D-glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione;
    1-(glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
    21454
    GPX
    DB02836
    ZINC000016051591    		 2 C10 H14 N5 O13 P3 InChI=1S/C10H14N5O13P3/c1
    1-10-13-7-4(8(16)14-10)12
    -2-15(7)9-6-5(26-31(22,23
    )27-6)3(25-9)1-24-30(20,2
    1)28-29(17,18)19/h2-3,5-6
    ,9H,1H2,(H,20,21)(H,22,23
    )(H2,17,18,19)(H3,11,13,1
    4,16)/t3-,5-,6-,9-/m1/s1;
    NGYWTCOGOZELRS-UUOKFMHZSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@
    @](O)(=O)O[P](O)(O)=O)[C@H]4O[P@@](O)(=O
    )O[C@@H]34; c1nc2c(n1[C@H]3[C@H]4[C@@H](
    [C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O[P@@](
    =O)(O4)O)N=C(NC2=O)N; c1nc2c(n1C3C4C(C(O
    3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O4)O)N=C(N
    C2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](
    CO[P](O)(=O)O[P](O)(O)=O)[CH]4O[P](O)(=O
    )O[CH]34; O=P3(OC4C(OC(n1c2N=C(N)NC(=O)c
    2nc1)C4O3)COP(=O)(O)OP(=O)(O)O)O    		 GUANOSINE 5'-DIPHOSPHATE 2':3'-CYCLIC MONOPHOSPHATE
    21455
    GQ0    		 1 C13 H15 Cl N6 O InChI=1S/C13H15ClN6O/c1-1
    3(2,3)8-4-7(21-19-8)5-20-
    6-16-9-10(14)17-12(15)18-
    11(9)20/h4,6H,5H2,1-3H3,(
    H2,15,17,18);
    CGJOKOZLBRUKIK-UHFFFAOYSA-N    		 CC(C)(C)c1cc(on1)Cn2cnc3c2nc(nc3Cl)N; CC
    (C)(C)c1cc(Cn2cnc3c(Cl)nc(N)nc23)on1    		 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
    21456
    GQ1
    ZINC000135965335    		 5 C6 H12 O9 S InChI=1S/C6H12O9S/c7-1-2-
    5(15-16(11,12)13)3(8)4(9)
    6(10)14-2/h2-10H,1H2,(H,1
    1,12,13)/t2-,3-,4-,5-,6+/
    m1/s1;
    LOTQRUGOUKUSEY-UKFBFLRUSA-N    		 C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O; OC[C
    H]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O
    )=O; O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO; C([
    C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)
    OS(=O)(=O)O)O; OC[C@H]1O[C@H](O)[C@H](O)
    [C@@H](O)[C@@H]1O[S](O)(=O)=O    		 4-O-sulfo-alpha-D-glucopyranose;
    4-O-sulfo-alpha-D-glucose;
    4-O-sulfo-D-glucose;
    4-O-sulfo-glucose
    21457
    GQ3    		 1 C13 H17 Cl N6 O InChI=1S/C13H17ClN6O/c1-1
    3(2,3)8-4-7(21-19-8)5-20-
    6-16-9-10(14)17-12(15)18-
    11(9)20/h6-7H,4-5H2,1-3H3
    ,(H2,15,17,18)/t7-/m1/s1;
    ZOBMBYDYMBXBEP-SSDOTTSWSA-N    		 CC(C)(C)C1=NO[CH](Cn2cnc3c(Cl)nc(N)nc23)
    C1; CC(C)(C)C1=NO[C@@H](Cn2cnc3c(Cl)nc(N
    )nc23)C1; CC(C)(C)C1=NOC(C1)Cn2cnc3c2nc(
    nc3Cl)N    		 9-[(3-tert-butyl-1,2-oxazol-5-yl)methyl]-6-chloranyl-purin-2-amine
    21458
    GQ5
    CHEMBL4552313    		 1 C22 H24 N6 O InChI=1S/C22H24N6O/c1-14-
    4-3-9-28(14)13-21-25-18-7
    -6-17(11-19(18)26-21)24-2
    2(29)15-5-8-20-16(10-15)1
    2-23-27(20)2/h5-8,10-12,1
    4H,3-4,9,13H2,1-2H3,(H,24
    ,29)(H,25,26)/t14-/m0/s1;
    QGNDVASWIHEXCL-AWEZNQCLSA-N    		 C[C@H]1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4c
    cc5c(c4)cnn5C; CC1CCCN1Cc2[nH]c3cc(ccc3n
    2)NC(=O)c4ccc5c(c4)cnn5C; C[CH]1CCCN1Cc2
    [nH]c3cc(NC(=O)c4ccc5n(C)ncc5c4)ccc3n2;
    C[C@H]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(C)
    ncc5c4)ccc3n2    		 1-methyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide
    21459
    GQ6    		 2 C13 H12 Cl N5 InChI=1S/C13H12ClN5/c1-8-
    2-4-9(5-3-8)6-19-7-16-10-
    11(14)17-13(15)18-12(10)1
    9/h2-5,7H,6H2,1H3,(H2,15,
    17,18);
    HKQJORIVDVAGIN-UHFFFAOYSA-N    		 Cc1ccc(cc1)Cn2cnc3c2nc(nc3Cl)N; Cc1ccc(C
    n2cnc3c(Cl)nc(N)nc23)cc1    		 6-chloranyl-9-[(4-methylphenyl)methyl]purin-2-amine
    21460
    GQ7
    ZINC000000188736    		 3 C11 H11 N O2 InChI=1S/C11H11NO2/c12-9-
    3-1-8(2-4-9)11-6-5-10(7-1
    3)14-11/h1-6,13H,7,12H2;
    PGRYIWSQXZECGD-UHFFFAOYSA-N    		 Nc1ccc(cc1)c2oc(CO)cc2; c1cc(ccc1c2ccc(o
    2)CO)N    		 [5-(4-aminophenyl)furan-2-yl]methanol
    21461
    GQ8    		 1 C24 H26 N6 O InChI=1S/C24H26N6O/c1-15-
    3-2-10-29(15)14-23-27-20-
    8-5-18(12-21(20)28-23)26-
    24(31)16-4-9-22-17(11-16)
    13-25-30(22)19-6-7-19/h4-
    5,8-9,11-13,15,19H,2-3,6-
    7,10,14H2,1H3,(H,26,31)(H
    ,27,28)/t15-/m0/s1;
    FTNYJPRHIRILOI-HNNXBMFYSA-N    		 CC1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c
    (c4)cnn5C6CC6; C[C@H]1CCCN1Cc2[nH]c3cc(N
    C(=O)c4ccc5n(ncc5c4)C6CC6)ccc3n2; C[C@H]
    1CCCN1Cc2[nH]c3cc(ccc3n2)NC(=O)c4ccc5c(c
    4)cnn5C6CC6; C[CH]1CCCN1Cc2[nH]c3cc(NC(=
    O)c4ccc5n(ncc5c4)C6CC6)ccc3n2    		 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide
    21462
    GQ9    		 1 C15 H11 Cl N6 O InChI=1S/C15H11ClN6O/c16-
    12-11-13(21-15(17)20-12)2
    2(8-19-11)7-10-6-18-14(23
    -10)9-4-2-1-3-5-9/h1-6,8H
    ,7H2,(H2,17,20,21);
    UYTXWVZDCZPGRX-UHFFFAOYSA-N    		 Nc1nc(Cl)c2ncn(Cc3oc(nc3)c4ccccc4)c2n1;
    c1ccc(cc1)c2ncc(o2)Cn3cnc4c3nc(nc4Cl)N    		 6-chloranyl-9-[(2-phenyl-1,3-oxazol-5-yl)methyl]purin-2-amine
    21463
    GQA
    CHEMBL1650621    		 1 C6 H7 N O S InChI=1S/C6H7NOS/c1-7-4-2
    -3-5(8)6(7)9/h2-4,8H,1H3;
    SQEXIHSVVCJZTQ-UHFFFAOYSA-N    		 CN1C=CC=C(O)C1=S; CN1C=CC=C(C1=S)O 1-methyl-3-oxidanyl-pyridine-2-thione
    21464
    GQB    		 2 C17 H16 N4 O S InChI=1S/C17H16N4OS/c18-1
    7-21-13-6-5-10(7-15(13)23
    -17)9-19-16(22)14-8-11-3-
    1-2-4-12(11)20-14/h1-8,20
    -21,23H,9,18H2,(H,19,22);
    GAUGHKFDIIXTPX-UHFFFAOYSA-N    		 c1ccc2c(c1)cc([nH]2)C(=O)NCc3ccc4c(c3)S=
    C(N4)N; NC1=[SH]c2cc(CNC(=O)c3[nH]c4cccc
    c4c3)ccc2N1    		 ~{N}-[(2-azanyl-3~{H}-1,3-benzothiazol-6-yl)methyl]-1~{H}-indole-2-carboxamide
    21465
    GQC    		 1 C22 H29 Br N3 InChI=1S/C22H28BrN3/c1-17
    -3-2-4-19(13-17)18-5-7-21
    (8-6-18)25-9-11-26(12-10-
    25)22-14-20(23)15-24-16-2
    2/h2-4,13-16,18,21H,5-12H
    2,1H3/p+1/t18-,21-;
    GPGOZHVXQXMXPF-XGAFWQRZSA-O    		 Cc1cccc(c1)[CH]2CC[CH](CC2)[NH+]3CCN(CC3
    )c4cncc(Br)c4; Cc1cccc(c1)[C@@H]2CC[C@H]
    (CC2)[NH+]3CCN(CC3)c4cncc(Br)c4; Cc1cccc
    (c1)C2CCC(CC2)[NH+]3CCN(CC3)c4cc(cnc4)Br    		 1-(5-bromanylpyridin-3-yl)-4-[4-(3-methylphenyl)cyclohexyl]piperazin-4-ium
    21466
    GQD
    CHEMBL3775378
    ZINC000263621175    		 1 C23 H27 N O3 InChI=1S/C23H27NO3/c1-15(
    2)14-24-16(3)12-19-13-20(
    25)9-10-21(19)23(24)18-7-
    4-17(5-8-18)6-11-22(26)27
    /h4-11,13,15-16,23,25H,12
    ,14H2,1-3H3,(H,26,27)/b11
    -6+/t16-,23-/m1/s1;
    WHZIOQODOSOYPX-DGIIRHPGSA-N    		 C[C@@H]1Cc2cc(ccc2[C@H](N1CC(C)C)c3ccc(c
    c3)/C=C/C(=O)O)O; CC1Cc2cc(ccc2C(N1CC(C)
    C)c3ccc(cc3)C=CC(=O)O)O; CC(C)CN1[C@H](C
    )Cc2cc(O)ccc2[C@H]1c3ccc(\C=C\C(O)=O)cc3
    ; CC(C)CN1[CH](C)Cc2cc(O)ccc2[CH]1c3ccc(
    C=CC(O)=O)cc3    		 (E)-3-[4-[(1R,3R)-6-hydroxy-2-isobutyl-3-methyl-3,4-dihydro-1H-isoquinolin-1-yl]phenyl]prop-2-enoic acid
    21467
    GQE
    CHEMBL3798870
    ZINC000653852853    		 4 C15 H14 N2 O4 InChI=1S/C15H14N2O4/c1-21
    -13-8-7-11(15(19)17-20)9-
    12(13)16-14(18)10-5-3-2-4
    -6-10/h2-9,20H,1H3,(H,16,
    18)(H,17,19);
    XJRKOVTYPFIMNR-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)c2ccccc2)C(=O)NO 3-benzamido-4-methoxy-~{N}-oxidanyl-benzamide
    21468
    GQF
    CHEMBL5172880    		 2 C19 H26 N4 O S InChI=1S/C19H26N4OS/c1-12
    -16(13(2)24)17(14-5-3-4-6
    -14)18(21-12)15-11-25-19(
    22-15)23-9-7-20-8-10-23/h
    11,14,20-21H,3-10H2,1-2H3;
    HIQSGTMYVPXYRT-UHFFFAOYSA-N    		 CC(=O)c1c(C)[nH]c(c2csc(n2)N3CCNCC3)c1C4
    CCCC4; Cc1c(c(c([nH]1)c2csc(n2)N3CCNCC3)
    C4CCCC4)C(=O)C    		 1-[4-cyclopentyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
    21469
    GQG
    CHEMBL4802958
    ZINC000007750211    		 1 C20 H21 N2 InChI=1S/C20H21N2/c1-21(2
    )20-12-14-22(15-13-20)16-
    17-8-10-19(11-9-17)18-6-4
    -3-5-7-18/h3-15H,16H2,1-2
    H3/q+1;
    IPMPOJHIUNHPOG-UHFFFAOYSA-N    		 CN(C)c1cc[n+](cc1)Cc2ccc(cc2)c3ccccc3; C
    N(C)c1cc[n+](Cc2ccc(cc2)c3ccccc3)cc1; N(
    c1cc[n+](cc1)Cc3ccc(c2ccccc2)cc3)(C)C    		 N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine
    21470
    GQH    		 16 C30 H43 N7 O5 S InChI=1S/C30H43N7O5S/c1-2
    0(2)16-26(35-30(40)27(36-
    37-32)18-22-8-6-5-7-9-22)
    29(39)33-21(3)28(38)34-25
    (14-15-43(4,41)42)17-23-1
    0-12-24(19-31)13-11-23/h5
    -13,20-21,25-27H,14-19,31
    H2,1-4H3,(H,33,39)(H,34,3
    8)(H,35,40)/t21-,25+,26-,
    27-/m0/s1;
    YICZFGYCCYPNLS-BECWTDFISA-N    		 C[C@@H](C(=O)N[C@H](CCS(=O)(=O)C)Cc1ccc(
    cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc
    2ccccc2)N=[N+]=[N-]; CC(C)C[C@H](NC(=O)[
    C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@H](
    C)C(=O)N[C@H](CC[S](C)(=O)=O)Cc2ccc(CN)c
    c2; CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N
    +]=[N-])C(=O)N[CH](C)C(=O)N[CH](CC[S](C)
    (=O)=O)Cc2ccc(CN)cc2; CC(C)CC(C(=O)NC(C)
    C(=O)NC(CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O
    )C(Cc2ccccc2)N=[N+]=[N-]    		 (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
    21471
    GQI    		 0 C5 H8 N2 O5 S InChI=1S/C5H8N2O5S/c6-3(5
    (10)11)2-13-12-7-1-4(8)9/
    h1,3H,2,6H2,(H,8,9)(H,10,
    11)/b7-1+/t3-/m0/s1;
    UKPHWYCUZNYAML-COCXTYOSSA-N    		 C(C(C(=O)O)N)SON=CC(=O)O; C([C@@H](C(=O)
    O)N)SO/N=C/C(=O)O; N[CH](CSON=CC(O)=O)C(
    O)=O; N[C@@H](CSO/N=C/C(O)=O)C(O)=O    		 (2R)-2-azanyl-3-[(E)-(2-oxidanyl-2-oxidanylidene-ethylidene)amino]oxysulfanyl-propanoic acid
    21472
    GQJ
    ZINC000001393275    		 6 C11 H13 N O5 InChI=1S/C11H13NO5/c1-16-
    11(15)8-5-7(13)6-12(8)10(
    14)9-3-2-4-17-9/h2-4,7-8,
    13H,5-6H2,1H3/t7-,8+/m1/s
    1;
    GVYWVRYDCMRUCE-SFYZADRCSA-N    		 COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c2occc2;
    COC(=O)[C@@H]1C[C@H](CN1C(=O)c2ccco2)O;
    COC(=O)C1CC(CN1C(=O)c2ccco2)O; COC(=O)[
    CH]1C[CH](O)CN1C(=O)c2occc2    		 methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
    21473
    GQK    		 18 C31 H44 N4 O7 InChI=1S/C31H44N4O7/c1-21
    (32-27(36)20-35-14-16-42-
    17-15-35)29(38)34-26(19-2
    3-10-12-24(41-4)13-11-23)
    30(39)33-25(28(37)31(2,3)
    40)18-22-8-6-5-7-9-22/h5-
    13,21,25-26,28,37,40H,14-
    20H2,1-4H3,(H,32,36)(H,33
    ,39)(H,34,38)/t21-,25-,26
    -,28+/m0/s1;
    JDPKNDJAIBLVBS-BZACYDOXSA-N    		 C[C@@H](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)
    N[C@@H](Cc2ccccc2)[C@H](C(C)(C)O)O)NC(=O
    )CN3CCOCC3; COc1ccc(C[C@H](NC(=O)[C@H](C
    )NC(=O)CN2CCOCC2)C(=O)N[C@@H](Cc3ccccc3)
    [C@@H](O)C(C)(C)O)cc1; CC(C(=O)NC(Cc1ccc
    (cc1)OC)C(=O)NC(Cc2ccccc2)C(C(C)(C)O)O)N
    C(=O)CN3CCOCC3; COc1ccc(C[CH](NC(=O)[CH]
    (C)NC(=O)CN2CCOCC2)C(=O)N[CH](Cc3ccccc3)
    [CH](O)C(C)(C)O)cc1    		 (2~{S})-3-(4-methoxyphenyl)-~{N}-[(2~{S},3~{R})-4-methyl-3,4-bis(oxidanyl)-1-phenyl-pentan-2-yl]-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
    21474
    GQL
    ZINC000100035995    		 3 C21 H14 F2 N2 O2 InChI=1S/C21H14F2N2O2/c1-
    27-16-4-2-3-12(9-16)20(26
    )18-11-25-21-19(18)17(5-6
    -24-21)13-7-14(22)10-15(2
    3)8-13/h2-11,26H,1H3/b20-
    18-;
    HQMUBYFTZASKLP-ZZEZOPTASA-N    		 COc1cccc(c1)/C(=C/2\C=Nc3c2c(ccn3)c4cc(c
    c(c4)F)F)/O; COc1cccc(c1)C(=C2C=Nc3c2c(c
    cn3)c4cc(cc(c4)F)F)O; COc1cccc(c1)C(O)=C
    2C=Nc3nccc(c4cc(F)cc(F)c4)c23; Fc4cc(c1c
    cnc2N=CC(\c12)=C(\O)c3cccc(OC)c3)cc(F)c4
    ; COc1cccc(c1)/C(O)=C/2C=Nc3nccc(c4cc(F)
    cc(F)c4)c/23    		 (E)-[4-(3,5-difluorophenyl)-3H-pyrrolo[2,3-b]pyridin-3-ylidene](3-methoxyphenyl)methanol
    21475
    GQM
    ZINC000000187296    		 4 C10 H10 N2 O2 InChI=1S/C10H10N2O2/c1-14
    -7-2-3-8(10(13)6-7)9-4-5-
    11-12-9/h2-6,13H,1H3,(H,1
    1,12);
    KCSNRNYLTIFFOZ-UHFFFAOYSA-N    		 COc1ccc(c(O)c1)c2cc[nH]n2; COc1ccc(c(c1)
    O)c2cc[nH]n2    		 5-methoxy-2-(1~{H}-pyrazol-3-yl)phenol
    21476
    GQN
    CHEMBL3800394
    ZINC000653841655    		 5 C21 H18 N2 O4 InChI=1S/C21H18N2O4/c1-27
    -19-12-11-17(21(25)23-26)
    13-18(19)22-20(24)16-9-7-
    15(8-10-16)14-5-3-2-4-6-1
    4/h2-13,26H,1H3,(H,22,24)
    (H,23,25);
    MRHRACKJKBOJEI-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)c2ccc(cc2)c3ccccc3)C(=O
    )NO    		 4-methoxy-~{N}-oxidanyl-3-[(4-phenylphenyl)carbonylamino]benzamide
    21477
    GQO    		 1 C19 H29 N5 O4 S InChI=1S/C19H29N5O4S/c1-4
    -15-17(18(20)23-19(21)22-
    15)28-12-7-11-27-16-9-6-5
    -8-14(16)10-13-29(25,26)2
    4(2)3/h5-6,8-9H,4,7,10-13
    H2,1-3H3,(H4,20,21,22,23);
    DTPFTDSQSPUKBC-UHFFFAOYSA-N    		 CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCS(=O)(=O)
    N(C)C; CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CC
    S(=O)(=O)N(C)C; CCc1nc(N)nc(N)c1OCCCOc2c
    cccc2CC[S](=O)(=O)N(C)C    		 2-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-N,N-dimethylethane-1-sulfonamide
    21478
    GQP
    CHEMBL1541796
    ZINC000000210331    		 5 C14 H11 F N2 InChI=1S/C14H11FN2/c15-12
    -7-5-11(6-8-12)9-17-10-16
    -13-3-1-2-4-14(13)17/h1-8
    ,10H,9H2;
    QLQZBMMYHJKDSH-UHFFFAOYSA-N    		 Fc1ccc(Cn2cnc3ccccc23)cc1; c1ccc2c(c1)nc
    n2Cc3ccc(cc3)F    		 1-[(4-fluorophenyl)methyl]benzimidazole
    21479
    GQQ    		 19 C29 H44 N6 O5 S InChI=1S/C29H44N6O5S/c1-1
    9(2)14-24(34-28(37)25(15-
    20(3)4)35-29(38)26-18-31-
    11-12-32-26)27(36)33-23(1
    0-13-41(5,39)40)16-21-6-8
    -22(17-30)9-7-21/h6-9,11-
    12,18-20,23-25H,10,13-17,
    30H2,1-5H3,(H,33,36)(H,34
    ,37)(H,35,38)/t23-,24+,25
    +/m1/s1;
    COXIIRGPLZWLTL-DSITVLBTSA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[
    C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2
    cnccn2; CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(C
    CS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)c2cnccn2
    ; CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c
    1cnccn1)C(=O)N[C@H](CC[S](C)(=O)=O)Cc2cc
    c(CN)cc2; CC(C)C[CH](NC(=O)[CH](CC(C)C)N
    C(=O)c1cnccn1)C(=O)N[CH](CC[S](C)(=O)=O)
    Cc2ccc(CN)cc2    		 ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]pyrazine-2-carboxamide
    21480
    GQR
    ZINC000001484813    		 2 C9 H11 N InChI=1S/C9H11N/c10-9-6-5
    -7-3-1-2-4-8(7)9/h1-4,9H,
    5-6,10H2/t9-/m0/s1;
    XJEVHMGJSYVQBQ-VIFPVBQESA-N    		 c1ccc2c(c1)CC[C@@H]2N; N[C@H]1CCc2ccccc1
    2; N[CH]1CCc2ccccc12; c1ccc2c(c1)CCC2N    		 (1~{S})-2,3-dihydro-1~{H}-inden-1-amine
    21481
    GQS
    ZINC000000088862    		 1 C9 H8 F N3 S InChI=1S/C9H8FN3S/c1-6-12
    -13-9(14-6)11-8-4-2-3-7(1
    0)5-8/h2-5H,1H3,(H,11,13);
    YJCLSQDDYPKKDX-UHFFFAOYSA-N    		 Cc1sc(Nc2cccc(F)c2)nn1; n2nc(Nc1cccc(c1)
    F)sc2C; Cc1nnc(s1)Nc2cccc(c2)F    		 N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
    21482
    GQT    		 18 C30 H43 N7 O6 S InChI=1S/C30H43N7O6S/c1-2
    0(2)15-25(34-29(40)26(36-
    37-32)17-21-7-5-4-6-8-21)
    28(39)35-27(19-38)30(41)3
    3-24(13-14-44(3,42)43)16-
    22-9-11-23(18-31)12-10-22
    /h4-12,20,24-27,38H,13-19
    ,31H2,1-3H3,(H,33,41)(H,3
    4,40)(H,35,39)/t24-,25+,2
    6+,27+/m1/s1;
    NOFMETNXDOBCGZ-WKAQUBQDSA-N    		 CC(C)CC(C(=O)NC(CO)C(=O)NC(CCS(=O)(=O)C)
    Cc1ccc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[
    N-]; CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[
    N+]=[N-])C(=O)N[CH](CO)C(=O)N[CH](CC[S](
    C)(=O)=O)Cc2ccc(CN)cc2; CC(C)C[C@H](NC(=
    O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)N[C@@
    H](CO)C(=O)N[C@H](CC[S](C)(=O)=O)Cc2ccc(
    CN)cc2; CC(C)C[C@@H](C(=O)N[C@@H](CO)C(=
    O)N[C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=
    O)[C@H](Cc2ccccc2)N=[N+]=[N-]    		 (2~{S})-~{N}-[(2~{S})-1-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
    21483
    GQU
    CHEMBL5267069    		 1 C24 H29 F2 N3 O4 InChI=1S/C24H29F2N3O4/c25
    -17-8-14(9-18(26)11-17)4-
    5-21(31)29-12-16-2-1-3-20
    (16)22(29)24(33)28-19(13-
    30)10-15-6-7-27-23(15)32/
    h8-9,11,13,15-16,19-20,22
    H,1-7,10,12H2,(H,27,32)(H
    ,28,33)/t15-,16-,19-,20-,
    22-/m0/s1;
    ZUAZJPLYYVHKFN-NAFADOBPSA-N    		 Fc1cc(F)cc(CCC(=O)N2C[CH]3CCC[CH]3[CH]2C
    (=O)N[CH](C[CH]4CCNC4=O)C=O)c1; Fc1cc(F)
    cc(CCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O
    )N[C@@H](C[C@@H]4CCNC4=O)C=O)c1; c1c(cc(
    cc1F)F)CCC(=O)N2CC3CCCC3C2C(=O)NC(CC4CCN
    C4=O)C=O; c1c(cc(cc1F)F)CCC(=O)N2C[C@@H]
    3CCC[C@@H]3[C@H]2C(=O)N[C@@H](C[C@@H]4CC
    NC4=O)C=O    		 (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide
    21484
    GQV
    CHEMBL52209
    ZINC000005783629    		 1 C6 H7 N O2 InChI=1S/C6H7NO2/c1-7-4-2
    -3-5(8)6(7)9/h2-4,8H,1H3;
    QUKDWRYJPHUXQR-UHFFFAOYSA-N    		 CN1C=CC=C(O)C1=O; CN1C=CC=C(C1=O)O 1-methyl-3-oxidanyl-pyridin-2-one
    21485
    GQW
    CHEMBL4160522    		 4 C16 H11 Cl N2 O3 S InChI=1S/C16H11ClN2O3S/c1
    7-12-5-4-10(15(20)19-22)8
    -13(12)18-16(21)11-3-1-2-
    9-6-7-23-14(9)11/h1-8,22H
    ,(H,18,21)(H,19,20);
    FRUVCGVXUWSDQY-UHFFFAOYSA-N    		 c1cc2ccsc2c(c1)C(=O)Nc3cc(ccc3Cl)C(=O)NO
    ; ONC(=O)c1ccc(Cl)c(NC(=O)c2cccc3ccsc23)
    c1    		 ~{N}-[2-chloranyl-5-(oxidanylcarbamoyl)phenyl]-1-benzothiophene-7-carboxamide
    21486
    GQX
    CHEMBL5192710    		 3 C13 H15 N5 O S InChI=1S/C13H15N5OS/c1-6-
    10-7(3-2-4-9(10)19)11(16-
    6)8-5-20-13(17-8)18-12(14
    )15/h5,16H,2-4H2,1H3,(H4,
    14,15,17,18);
    KCVACUMTAXEALK-UHFFFAOYSA-N    		 Cc1[nH]c(c2CCCC(=O)c12)c3csc(N=C(N)N)n3;
    Cc1c2c(c([nH]1)c3csc(n3)N=C(N)N)CCCC2=O    		 2-[4-(3-methyl-4-oxidanylidene-2,5,6,7-tetrahydroisoindol-1-yl)-1,3-thiazol-2-yl]guanidine
    21487
    GQY
    ZINC000000393736    		 1 C11 H16 N2 O2 InChI=1S/C11H16N2O2/c1-14
    -11-8-9(2-3-10(11)12)13-4
    -6-15-7-5-13/h2-3,8H,4-7,
    12H2,1H3;
    BQTMHUUWYHEPNQ-UHFFFAOYSA-N    		 COc1cc(ccc1N)N2CCOCC2 2-methoxy-4-morpholin-4-yl-aniline
    21488
    GQZ
    CHEMBL2381520
    ZINC000095921741    		 4 C14 H12 N2 O3 InChI=1S/C14H12N2O3/c17-1
    3(15-12-7-2-1-3-8-12)10-5
    -4-6-11(9-10)14(18)16-19/
    h1-9,19H,(H,15,17)(H,16,1
    8);
    NXHPVXNYPQJIOB-UHFFFAOYSA-N    		 ONC(=O)c1cccc(c1)C(=O)Nc2ccccc2; c1ccc(c
    c1)NC(=O)c2cccc(c2)C(=O)NO    		 ~{N}1-oxidanyl-~{N}3-phenyl-benzene-1,3-dicarboxamide
    21489
    GR0    		 0 C20 H35 O4 P InChI=1S/C20H35O4P/c1-17(
    2)9-6-10-18(3)11-7-12-19(
    4)13-8-14-20(5)15-16-24-2
    5(21,22)23/h9,11,13,15H,6
    -8,10,12,14,16H2,1-5H3,(H
    2,21,22,23)/b18-11+,19-13
    ?,20-15?;
    VHUBNUSXPIJYSG-OZOSFKGRSA-N    		 CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C
    )C; CC(=CCC/C(=C/CCC(=CCCC(=CCOP(=O)(O)O
    )C)C)/C)C; CC(C)=CCCC(C)=CCCC(C)=CCCC(C)
    =CCO[P](O)(O)=O; CC(C)=CCCC(/C)=C/CC\C(C
    )=C/CCC(/C)=C/CO[P](O)(O)=O    		 GERANYLGERANYL MONOPHOSPHATE;
    (10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl dihydrogen phosphate
    21490
    GR1
    ZINC000031976941    		 1 C27 H35 N3 O4 InChI=1S/C27H35N3O4/c1-3-
    30(4-2)26(32)19-9-7-8-17(
    14-19)18-12-13-21-20(15-1
    8)16-23(31)25(21)22(27(33
    )34)10-5-6-11-24(28)29/h7
    -9,12-15,22-23,25,31H,3-6
    ,10-11,16H2,1-2H3,(H3,28,
    29)(H,33,34)/t22-,23+,25-
    /m1/s1;
    VACZRUKFUJTPNR-GIFXNVAJSA-N    		 CCN(CC)C(=O)c1cccc(c1)c2ccc3c(c2)C[C@@H]
    ([C@H]3[C@@H](CCCCC(=N)N)C(=O)O)O; CCN(C
    C)C(=O)c1cccc(c1)c2ccc3c(c2)CC(C3C(CCCCC
    (=N)N)C(=O)O)O; CCN(CC)C(=O)c1cccc(c1)c2
    ccc3[CH]([CH](O)Cc3c2)[CH](CCCCC(N)=N)C(
    O)=O; CCN(CC)C(=O)c1cccc(c1)c2ccc3[C@@H]
    ([C@@H](O)Cc3c2)[C@@H](CCCCC(N)=N)C(O)=O
    ; O=C(N(CC)CC)c3cc(c1cc2c(cc1)C(C(C(=O)O
    )CCCCC(=[N@H])N)C(O)C2)ccc3    		 6-CARBAMIMIDOYL-2-[5-(3-DIETHYLCARBAMOYL-PHENYL)-2-HYDROXY-INDAN-1-YL]-HEXANOIC ACID;
    GR179849
    21491
    GR2
    CHEMBL2270922
    ZINC000034499772    		 1 C17 H14 O5 InChI=1S/C17H14O5/c1-9-6-
    14(21-16(9)18)20-8-13-12-
    7-10-4-2-3-5-11(10)15(12)
    22-17(13)19/h2-6,8,12,14-
    15H,7H2,1H3/b13-8+/t12-,1
    4-,15-/m1/s1;
    XHSDUVBUZOUAOQ-WJQMYRPNSA-N    		 CC1=C[CH](OC=C2[CH]3Cc4ccccc4[CH]3OC2=O)
    OC1=O; CC1=C[C@H](O\C=C2/[C@H]3Cc4ccccc4
    [C@H]3OC2=O)OC1=O; CC1=CC(OC1=O)OC=C2C3C
    c4ccccc4C3OC2=O; CC1=C[C@@H](OC1=O)O/C=C
    /2\[C@H]3Cc4ccccc4[C@H]3OC2=O; c12CC3C(c
    1cccc2)OC(=O)C3=[C@H]OC4C=C(C)C(=O)O4    		 (3E,3aR,8bS)-3-({[(2R)-4-methyl-5-oxo-2,5-dihydrofuran-2-yl]oxy}methylidene)-3,3a,4,8b-tetrahydro-2H-indeno[1,2-b]furan-2-one
    21492
    GR3
    ZINC000037858498    		 2 C32 H46 O7 InChI=1S/C32H46O7/c1-18(2
    )14-21(35)15-20(17-33)27-
    24(36)16-31(6)23-8-9-25-2
    9(4,22(23)10-13-30(27,31)
    5)12-11-26(39-19(3)34)32(
    25,7)28(37)38/h8,14,17,20
    ,22,24-27,36H,9-13,15-16H
    2,1-7H3,(H,37,38)/t20-,22
    -,24-,25+,26+,27+,29+,30-
    ,31+,32-/m0/s1;
    MKGUGMKLWZNKQT-DWJUSYOASA-N    		 CC(=CC(=O)C[C@@H](C=O)[C@@H]1[C@H](C[C@]
    2([C@]1(CC[C@H]3C2=CC[C@@H]4[C@@]3(CC[C@
    H]([C@@]4(C)C(=O)O)OC(=O)C)C)C)C)O)C; CC
    (C)=CC(=O)C[CH](C=O)[CH]1[CH](O)C[C]2(C)
    C3=CC[CH]4[C](C)(CC[CH](OC(C)=O)[C]4(C)C
    (O)=O)[CH]3CC[C]12C; O=C(\C=C(/C)C)CC(C=
    O)C4C3(CCC1C(=CCC2C1(C)CCC(OC(=O)C)C2(C(
    =O)O)C)C3(C)CC4O)C; CC(=CC(=O)CC(C=O)C1C
    (CC2(C1(CCC3C2=CCC4C3(CCC(C4(C)C(=O)O)OC
    (=O)C)C)C)C)O)C; CC(C)=CC(=O)C[C@@H](C=O
    )[C@@H]1[C@@H](O)C[C@]2(C)C3=CC[C@@H]4[C
    @](C)(CC[C@@H](OC(C)=O)[C@@]4(C)C(O)=O)[
    C@H]3CC[C@@]12C    		 3-ACETOXY-17-(1-FORMYL-5-METHYL-3-OXO-HEX-4-ENYL)-16-HYDROXY-4,10,13,14-TETRAMETHYL-2,3,4,5,6,9,10,11,12,13,14,15,16,17-TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-4-CARBOXYLIC ACID
    21493
    GR4
    ZINC000098208966    		 1 C38 H56 O14 InChI=1S/C38H56O14/c1-18(
    2)11-21(43)12-20(15-39)29
    -24(44)14-38(17-41)22-7-8
    -26-35(4,23(22)13-27(45)3
    7(29,38)6)10-9-28(50-19(3
    )42)36(26,5)34(49)52-33-3
    2(48)31(47)30(46)25(16-40
    )51-33/h7,11,15,20,23-33,
    40-41,44-48H,8-10,12-14,1
    6-17H2,1-6H3/t20-,23-,24-
    ,25-,26+,27-,28+,29+,30-,
    31+,32-,33+,35+,36-,37-,3
    8-/m0/s1;
    ICEIDITWEARXBX-KIWBXHNRSA-N    		 CC(C)=CC(=O)C[C@@H](C=O)[C@@H]1[C@@H](O)
    C[C@]2(CO)C3=CC[C@@H]4[C@](C)(CC[C@@H](O
    C(C)=O)[C@@]4(C)C(=O)O[C@H]5O[C@@H](CO)[
    C@H](O)[C@@H](O)[C@@H]5O)[C@H]3C[C@H](O)
    [C@@]12C; CC(=CC(=O)C[C@@H](C=O)[C@@H]1[
    C@H](C[C@]2([C@]1([C@H](C[C@H]3C2=CC[C@@
    H]4[C@@]3(CC[C@H]([C@@]4(C)C(=O)O[C@@H]5
    [C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)OC
    (=O)C)C)O)C)CO)O)C; O=C(OC1OC(C(O)C(O)C1
    O)CO)C5(C)C4CC=C2C(CC(O)C3(C)C(C(C=O)CC(
    =O)\C=C(/C)C)C(O)CC23CO)C4(C)CCC5OC(=O)C
    ; CC(=CC(=O)CC(C=O)C1C(CC2(C1(C(CC3C2=CC
    C4C3(CCC(C4(C)C(=O)OC5C(C(C(C(O5)CO)O)O)
    O)OC(=O)C)C)O)C)CO)O)C; CC(C)=CC(=O)C[CH
    ](C=O)[CH]1[CH](O)C[C]2(CO)C3=CC[CH]4[C]
    (C)(CC[CH](OC(C)=O)[C]4(C)C(=O)O[CH]5O[C
    H](CO)[CH](O)[CH](O)[CH]5O)[CH]3C[CH](O)
    [C]12C
    21494
    GR5    		 2 C34 H42 F2 N4 O7 S2 InChI=1S/C34H42F2N4O7S2/c
    1-18(2)15-40(49(43,44)24-
    5-6-26-30(14-24)48-33(38-
    26)37-23-3-4-23)16-28(41)
    27(11-19-9-21(35)13-22(36
    )10-19)39-34(42)47-29-12-
    20-17-46-32-31(20)25(29)7
    -8-45-32/h5-6,9-10,13-14,
    18,20,23,25,27-29,31-32,4
    1H,3-4,7-8,11-12,15-17H2,
    1-2H3,(H,37,38)(H,39,42)/
    t20-,25-,27-,28+,29-,31+,
    32+/m0/s1;
    NIZKZMLJMFCQSW-BIVIGLCRSA-N    		 CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(
    =O)O[C@H]2C[C@H]3CO[C@@H]4[C@H]3[C@H]2CC
    O4)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7; C
    C(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2CC3
    COC4C3C2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc(n6
    )NC7CC7; CC(C)CN(C[C@@H](O)[C@H](Cc1cc(F
    )cc(F)c1)NC(=O)O[C@H]2C[C@H]3CO[C@H]4OCC
    [C@@H]2[C@@H]34)[S](=O)(=O)c5ccc6nc(NC7C
    C7)sc6c5; s1c(nc6c1cc(S(=O)(N(CC(O)C(NC(
    OC2CC4C3C2CCOC3OC4)=O)Cc5cc(cc(c5)F)F)CC
    (C)C)=O)cc6)NC7CC7; CC(C)CN(C[CH](O)[CH]
    (Cc1cc(F)cc(F)c1)NC(=O)O[CH]2C[CH]3CO[CH
    ]4OCC[CH]2[CH]34)[S](=O)(=O)c5ccc6nc(NC7
    CC7)sc6c5
    21495
    GR6
    CHEMBL578406
    ZINC000049722570    		 2 C32 H42 N2 O9 S InChI=1S/C32H42N2O9S/c1-3
    9-24-13-14-30-28(20-24)40
    -17-10-5-3-2-4-9-16-34(44
    (30,37)38)21-27(35)26(19-
    23-11-7-6-8-12-23)33-32(3
    6)43-29-22-42-31-25(29)15
    -18-41-31/h3,5-8,11-14,20
    ,25-27,29,31,35H,2,4,9-10
    ,15-19,21-22H2,1H3,(H,33,
    36)/b5-3+/t25-,26-,27+,29
    -,31+/m0/s1;
    ZQJBDIZBNGQJDT-JZAADHNPSA-N    		 COc1ccc2c(OCC\C=C\CCCCN(C[C@@H](O)[C@H](
    Cc3ccccc3)NC(=O)O[C@H]4CO[C@H]5OCC[C@@H]
    45)[S]2(=O)=O)c1; COc1ccc2c(OCCC=CCCCCN(
    C[CH](O)[CH](Cc3ccccc3)NC(=O)O[CH]4CO[CH
    ]5OCC[CH]45)[S]2(=O)=O)c1; O=C(OC1C2CCOC
    2OC1)NC(Cc3ccccc3)C(O)CN5CCCCC=CCCOc4cc(
    OC)ccc4S5(=O)=O; COc1ccc2c(c1)OCC\C=C\CC
    CCN(S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=
    O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O; COc1ccc2
    c(c1)OCCC=CCCCCN(S2(=O)=O)CC(C(Cc3ccccc3
    )NC(=O)OC4COC5C4CCO5)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(1S,2R)-1-benzyl-2-hydroxy-3-[(7E)-13-methoxy-1,1-dioxido-3,4,5,6,9,10-hexahydro-2H-11,1,2-benzoxathiazacyclotridecin-2-yl]propyl}carbamate
    21496
    GR7
    CHEMBL4095133    		 2 C32 H42 N2 O9 S InChI=1S/C32H42N2O9S/c1-3
    9-25-12-13-30-24(19-25)21
    -40-16-9-4-2-3-8-15-34(44
    (30,37)38)20-28(35)27(18-
    23-10-6-5-7-11-23)33-32(3
    6)43-29-22-42-31-26(29)14
    -17-41-31/h4-7,9-13,19,26
    -29,31,35H,2-3,8,14-18,20
    -22H2,1H3,(H,33,36)/b9-4+
    /t26-,27-,28+,29-,31+/m0/
    s1;
    QVQZOHIOYHJWJV-RSNMJCISSA-N    		 COc1ccc2c(COCC=CCCCCN(C[CH](O)[CH](Cc3cc
    ccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45)[S]2(=
    O)=O)c1; COc1ccc2c(COC\C=C\CCCCN(C[C@@H]
    (O)[C@H](Cc3ccccc3)NC(=O)O[C@H]4CO[C@H]5
    OCC[C@@H]45)[S]2(=O)=O)c1; c2(cc1COCC=CC
    CCCN(S(c1cc2)(=O)=O)CC(O)C(NC(OC3COC4OCC
    C34)=O)Cc5ccccc5)OC; COc1ccc2c(c1)COCC=C
    CCCCN(S2(=O)=O)CC(C(Cc3ccccc3)NC(=O)OC4C
    OC5C4CCO5)O; COc1ccc2c(c1)COC/C=C/CCCCN(
    S2(=O)=O)C[C@H]([C@H](Cc3ccccc3)NC(=O)O[
    C@H]4CO[C@@H]5[C@H]4CCO5)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[(7E)-13-methoxy-1,1-dioxo-1,4,5,6,9,11-hexahydro-10,1lambda~6~,2-benzoxathiazacyclotridecin-2(3H)-yl]-1-phenylbutan-2-yl}carbamate
    21497
    GR8
    CHEMBL4214453    		 2 C34 H42 F2 N4 O7 S2 InChI=1S/C34H42F2N4O7S2/c
    1-18(2)15-40(49(43,44)24-
    5-6-26-30(14-24)48-33(38-
    26)37-23-3-4-23)16-28(41)
    27(11-19-9-21(35)13-22(36
    )10-19)39-34(42)47-29-12-
    20-17-46-32-31(20)25(29)7
    -8-45-32/h5-6,9-10,13-14,
    18,20,23,25,27-29,31-32,4
    1H,3-4,7-8,11-12,15-17H2,
    1-2H3,(H,37,38)(H,39,42)/
    t20-,25-,27+,28-,29-,31+,
    32+/m1/s1;
    NIZKZMLJMFCQSW-FQOBIZQLSA-N    		 s1c3c(nc1NC2CC2)ccc(c3)S(=O)(=O)N(CC(C(C
    c4cc(F)cc(c4)F)NC(=O)OC5CC7C6C5CCOC6OC7)
    O)CC(C)C; CC(C)CN(C[C@H]([C@H](Cc1cc(cc(
    c1)F)F)NC(=O)O[C@@H]2C[C@@H]3CO[C@H]4[C@
    @H]3[C@@H]2CCO4)O)S(=O)(=O)c5ccc6c(c5)sc
    (n6)NC7CC7; CC(C)CN(CC(C(Cc1cc(cc(c1)F)F
    )NC(=O)OC2CC3COC4C3C2CCO4)O)S(=O)(=O)c5c
    cc6c(c5)sc(n6)NC7CC7; CC(C)CN(C[C@@H](O)
    [C@H](Cc1cc(F)cc(F)c1)NC(=O)O[C@@H]2C[C@
    @H]3CO[C@@H]4OCC[C@H]2[C@H]34)[S](=O)(=O
    )c5ccc6nc(NC7CC7)sc6c5; CC(C)CN(C[CH](O)
    [CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2C[CH]3C
    O[CH]4OCC[CH]2[CH]34)[S](=O)(=O)c5ccc6nc
    (NC7CC7)sc6c5
    21498
    GR9
    CHEMBL2177161
    ZINC000034299752    		 2 C21 H23 N7 O3 S InChI=1S/C21H23N7O3S/c1-2
    7-9-11-28(12-10-27)32(30,
    31)17-6-4-15(5-7-17)18-14
    -24-20(22)19(26-18)21(29)
    25-16-3-2-8-23-13-16/h2-8
    ,13-14H,9-12H2,1H3,(H2,22
    ,24)(H,25,29);
    FHCSBLWRGCOVPT-UHFFFAOYSA-N    		 CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3cnc(N)
    c(n3)C(=O)Nc4cccnc4; CN1CCN(CC1)S(=O)(=O
    )c2ccc(cc2)c3cnc(c(n3)C(=O)Nc4cccnc4)N;
    O=S(=O)(c3ccc(c2nc(C(=O)Nc1cccnc1)c(nc2)
    N)cc3)N4CCN(C)CC4    		 3-AMINO-6-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}-N-PYRIDIN-3-YLPYRAZINE-2-CARBOXAMIDE
    21499
    GRA
    ZINC000008551192    		 14 C26 H42 N7 O19 P3 S InChI=1S/C26H42N7O19P3S/c
    1-26(2,21(39)24(40)29-7-6
    -15(34)28-8-9-56-17(37)5-
    3-4-16(35)36)11-49-55(46,
    47)52-54(44,45)48-10-14-2
    0(51-53(41,42)43)19(38)25
    (50-14)33-13-32-18-22(27)
    30-12-31-23(18)33/h12-14,
    19-21,25,38-39H,3-11H2,1-
    2H3,(H,28,34)(H,29,40)(H,
    35,36)(H,44,45)(H,46,47)(
    H2,27,30,31)(H2,41,42,43)
    /t14-,19-,20-,21+,25-/m1/
    s1;
    SYKWLIJQEHRDNH-CKRMAKSASA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCSC(=O)CCCC(=O)O)O; O=C(O)CCCC(=O)SCC
    NC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O
    )(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)
    (O)O; CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[
    C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc
    3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC
    (=O)CCCC(=O)O)O; CC(C)(CO[P](O)(=O)O[P](
    O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O
    )=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O
    )NCCSC(=O)CCCC(O)=O; CC(C)(CO[P@@](O)(=O
    )O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@
    @H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H]
    (O)C(=O)NCCC(=O)NCCSC(=O)CCCC(O)=O    		 glutaryl-coenzyme A
    21500
    GRB
    ZINC000013543247    		 0 C10 H13 Br N5 O8 P InChI=1S/C10H13BrN5O8P/c1
    1-9-13-3-6(14-10(12)15-7(
    3)19)16(9)8-5(18)4(17)2(2
    4-8)1-23-25(20,21)22/h2,4
    -5,8,17-18H,1H2,(H2,20,21
    ,22)(H3,12,14,15,19)/t2-,
    4-,5-,8-/m1/s1;
    SJLDUTNIPDQOCZ-UMMCILCDSA-N    		 C(C1C(C(C(O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O
    )O)OP(=O)(O)O; C([C@@H]1[C@H]([C@H]([C@@
    H](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)OP(=
    O)(O)O; NC1=Nc2n([CH]3O[CH](CO[P](O)(O)=
    O)[CH](O)[CH]3O)c(Br)nc2C(=O)N1; NC1=Nc2
    n([C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[
    C@H]3O)c(Br)nc2C(=O)N1; O=P(O)(O)OCC3OC(
    n2c(Br)nc1c2N=C(N)NC1=O)C(O)C3O    		 8-bromoguanosine 5'-(dihydrogen phosphate)
    21501
    GRC
    ZINC000098208967    		 1 C11 H17 Cl N5 O12 P3 InChI=1S/C11H17ClN5O12P3/
    c12-10(30(20,21)22)31(23,
    24)29-32(25,26)27-2-5-4(1
    8)1-6(28-5)17-3-14-7-8(17
    )15-11(13)16-9(7)19/h3-6,
    10,18H,1-2H2,(H,23,24)(H,
    25,26)(H2,20,21,22)(H3,13
    ,15,16,19)/t4-,5+,6+,10+/
    m0/s1;
    GBPRSSRXOIDBNV-AVAJSQPUSA-N    		 O=P(O)(O)C(Cl)P(=O)(O)OP(=O)(O)OCC3OC(n2
    cnc1c2N=C(N)NC1=O)CC3O; c1nc2c(n1C3CC(C(
    O3)COP(=O)(O)OP(=O)(C(P(=O)(O)O)Cl)O)O)N
    =C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[
    CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)[CH](C
    l)[P](O)(O)=O)O3; NC1=Nc2n(cnc2C(=O)N1)[
    C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)
    (=O)[C@H](Cl)[P](O)(O)=O)O3; c1nc2c(n1[C
    @H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C
    @@H](P(=O)(O)O)Cl)O)O)N=C(NC2=O)N    		 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
    21502
    GRD
    ZINC000038970689    		 1 C27 H38 N8 O5 InChI=1S/C27H38N8O5/c1-4-
    19(22(36)26(38)29-11-8-12
    -35-16-32-21-23(28)30-15-
    31-24(21)35)33-25(37)20(1
    3-17(2)3)34-27(39)40-14-1
    8-9-6-5-7-10-18/h5-7,9-10
    ,15-17,19-20,22,36H,4,8,1
    1-14H2,1-3H3,(H,29,38)(H,
    33,37)(H,34,39)(H2,28,30,
    31)/t19-,20-,22-/m0/s1;
    JADHYPXMRTWESB-ONTIZHBOSA-N    		 CC[CH](NC(=O)[CH](CC(C)C)NC(=O)OCc1ccccc
    1)[CH](O)C(=O)NCCCn2cnc3c(N)ncnc23; CC[C
    @H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)
    [C@H](O)C(=O)NCCCn2cnc3c(N)ncnc23; CCC(C
    (C(=O)NCCCn1cnc2c1ncnc2N)O)NC(=O)C(CC(C)
    C)NC(=O)OCc3ccccc3; O=C(OCc1ccccc1)NC(C(
    =O)NC(CC)C(O)C(=O)NCCCn2c3ncnc(c3nc2)N)C
    C(C)C; CC[C@@H]([C@@H](C(=O)NCCCn1cnc2c1
    ncnc2N)O)NC(=O)[C@H](CC(C)C)NC(=O)OCc3cc
    ccc3    		 benzyl (S)-1-((2S,3S)-1-(3-(6-amino-9H-purin-9-yl)propylamino)-2-hydroxy-1-oxopentan-3-ylamino)-4-methyl-1-oxopentan-2-ylcarbamate
    21503
    GRE
    CHEMBL454808
    ZINC000000388545    		 7 C7 H6 O4 InChI=1S/C7H6O4/c8-4-2-1-
    3-5(9)6(4)7(10)11/h1-3,8-
    9H,(H,10,11);
    AKEUNCKRJATALU-UHFFFAOYSA-N    		 O=C(O)c1c(O)cccc1O; c1cc(c(c(c1)O)C(=O)O
    )O; OC(=O)c1c(O)cccc1O    		 2,6-DIHYDROXYBENZOIC ACID
    21504
    GRF    		 1 C5 H12 N O7 P InChI=1S/C5H12NO7P/c6-5-4
    (8)3(7)2(13-5)1-12-14(9,1
    0)11/h2-5,7-8H,1,6H2,(H2,
    9,10,11)/t2-,3-,4-,5-/m1/
    s1;
    SKCBPEVYGOQGJN-TXICZTDVSA-N    		 N[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O;
    C(C1C(C(C(O1)N)O)O)OP(=O)(O)O; C([C@@H]
    1[C@H]([C@H]([C@@H](O1)N)O)O)OP(=O)(O)O;
    N[C@@H]1O[C@H](CO[P](O)(O)=O)[C@@H](O)[
    C@H]1O; O=P(O)(O)OCC1OC(N)C(O)C1O    		 5-O-phosphono-beta-D-ribofuranosylamine;
    5-O-phosphono-beta-D-ribosylamine;
    5-O-phosphono-D-ribosylamine;
    5-O-phosphono-ribosylamine
    21505
    GRG
    CHEMBL1229266
    ZINC000012495043    		 70 C20 H36 O7 P2 InChI=1S/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)23/h
    9,11,13,15H,6-8,10,12,14,
    16H2,1-5H3,(H,24,25)(H2,2
    1,22,23)/b18-11+,19-13+,2
    0-15+;
    OINNEUNVOZHBOX-QIRCYJPOSA-N    		 CC(C)=CCCC(/C)=C/CC\C(C)=C\CC\C(C)=C\CO[
    P](O)(=O)O[P](O)(O)=O; CC(C)=CCCC(C)=CCC
    C(C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O;
    CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(
    O)O)C)C)C)C; CC(=CCC/C(=C/CC/C(=C/CC/C(=
    C/CO[P@](=O)(O)OP(=O)(O)O)/C)/C)/C)C; O=
    P(O)(O)OP(=O)(O)OC/C=C(/CC\C=C(/C)CC\C=C
    (/C)CC\C=C(/C)C)C    		 GERANYLGERANYL DIPHOSPHATE
    21506
    GRH    		 1 C21 H19 Cl N2 O4 S InChI=1S/C21H19ClN2O4S/c1
    -14(15-6-3-2-4-7-15)21(25
    )24-17-10-11-19(20(13-17)
    29(23,26)27)28-18-9-5-8-1
    6(22)12-18/h2-14H,1H3,(H,
    24,25)(H2,23,26,27)/t14-/
    m1/s1;
    QEACKKQHBTVOBS-CQSZACIVSA-N    		 C[C@H](c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=
    O)N)Oc3cccc(c3)Cl; C[CH](C(=O)Nc1ccc(Oc2
    cccc(Cl)c2)c(c1)[S](N)(=O)=O)c3ccccc3; C
    C(c1ccccc1)C(=O)Nc2ccc(c(c2)S(=O)(=O)N)O
    c3cccc(c3)Cl; C[C@@H](C(=O)Nc1ccc(Oc2ccc
    c(Cl)c2)c(c1)[S](N)(=O)=O)c3ccccc3    		 (2~{R})-~{N}-[4-(3-chloranylphenoxy)-3-sulfamoyl-phenyl]-2-phenyl-propanamide
    21507
    GRI
    ZINC000095921318    		 2 C15 H10 N2 O4 InChI=1S/C15H10N2O4/c1-21
    -11-6-5-8(7-18)12-14(11)1
    7-13-9(15(19)20)3-2-4-10(
    13)16-12/h2-7H,1H3,(H,19,
    20);
    NJJLLHHIAVHAEL-UHFFFAOYSA-N    		 COc1ccc(c2c1nc3c(cccc3n2)C(=O)O)C=O; O=C
    (O)c2c1nc3c(nc1ccc2)c(ccc3OC)C=O; COc1cc
    c(C=O)c2nc3cccc(C(O)=O)c3nc12    		 6-formyl-9-methoxyphenazine-1-carboxylic acid
    21508
    GRJ    		 2 C16 H25 N5 O15 P2 InChI=1S/C16H25N5O15P2/c1
    -4(22)11-8(24)10(26)15(34
    -11)35-38(30,31)36-37(28,
    29)32-2-5-7(23)9(25)14(33
    -5)21-3-18-6-12(21)19-16(
    17)20-13(6)27/h3-5,7-11,1
    4-15,22-26H,2H2,1H3,(H,28
    ,29)(H,30,31)(H3,17,19,20
    ,27)/t4-,5+,7+,8-,9+,10-,
    11+,14+,15-/m0/s1;
    MBFMULBITZROEC-MREAOPIZSA-N    		 C[C@@H]([C@@H]1[C@H]([C@@H]([C@@H](O1)OP
    (=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@
    @H](O2)n3cnc4c3nc(nc4O)N)O)O)O)O)O; C[C@
    H](O)[C@H]1O[C@@H](O[P](O)(=O)O[P](O)(=O
    )OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c
    (O)nc(N)nc34)[C@@H](O)[C@@H]1O; CC(C1C(C
    (C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3c
    nc4c3nc(nc4O)N)O)O)O)O)O; C[CH](O)[CH]1O
    [CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH](
    [CH](O)[CH]2O)n3cnc4c(O)nc(N)nc34)[CH](O
    )[CH]1O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[(1~{S})-1-oxidanylethyl]oxolan-2-yl] hydrogen phosphate
    21509
    GRK
    CHEMBL3799265
    ZINC000653851521    		 4 C16 H16 N2 O4 InChI=1S/C16H16N2O4/c1-22
    -14-8-7-12(16(20)18-21)10
    -13(14)17-15(19)9-11-5-3-
    2-4-6-11/h2-8,10,21H,9H2,
    1H3,(H,17,19)(H,18,20);
    DFZIVCDTMKHRDI-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)Cc2ccccc2)C(=O)NO 4-methoxy-~{N}-oxidanyl-3-(2-phenylethanoylamino)benzamide
    21510
    GRL
    CHEMBL254349
    ZINC000014954111    		 4 C29 H40 N2 O7 S InChI=1S/C29H40N2O7S/c1-2
    0(2)17-31(39(35,36)25-10-
    8-22(19-32)9-11-25)18-27(
    33)26(14-21-6-4-3-5-7-21)
    30-29(34)38-24-15-23-12-1
    3-37-28(23)16-24/h3-11,20
    ,23-24,26-28,32-33H,12-19
    H2,1-2H3,(H,30,34)/t23-,2
    4+,26-,27+,28+/m0/s1;
    VYBDPVQMILRSMK-GRXYLYAXSA-N    		 CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[C
    H]2C[CH]3CCO[CH]3C2)[S](=O)(=O)c4ccc(CO)
    cc4; CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N
    C(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)[S](=O
    )(=O)c4ccc(CO)cc4; CC(C)CN(C[C@H]([C@H](
    Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H
    ]3C2)O)S(=O)(=O)c4ccc(cc4)CO; O=S(=O)(c1
    ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C
    (OCC2)C3)Cc4ccccc4; CC(C)CN(CC(C(Cc1cccc
    c1)NC(=O)OC2CC3CCOC3C2)O)S(=O)(=O)c4ccc(
    cc4)CO    		 (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL (2S,3S)-3-HYDROXY-4-(4-(HYDROXYMETHYL)-N-ISOBUTYLPHENYLSULFONAMIDO)-1-PHENYLBUTAN-2-YLCARBAMATE
    21511
    GRM
    CHEMBL1173044
    ZINC000053243440    		 4 C26 H28 N2 O3 InChI=1S/C26H28N2O3/c1-18
    (22-8-4-6-20-5-2-3-7-23(2
    0)22)28-13-11-21(12-14-28
    )26(29)27-16-19-9-10-24-2
    5(15-19)31-17-30-24/h2-10
    ,15,18,21H,11-14,16-17H2,
    1H3,(H,27,29)/t18-/m1/s1;
    IVXBCFLWMPMSAP-GOSISDBHSA-N    		 C[CH](N1CC[CH](CC1)C(=O)NCc2ccc3OCOc3c2)
    c4cccc5ccccc45; C[C@H](c1cccc2c1cccc2)N3
    CCC(CC3)C(=O)NCc4ccc5c(c4)OCO5; CC(c1ccc
    c2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc5c(c4)OC
    O5; C[C@@H](N1CC[C@@H](CC1)C(=O)NCc2ccc3
    OCOc3c2)c4cccc5ccccc45; O=C(NCc1ccc2OCOc
    2c1)C5CCN(C(c4c3ccccc3ccc4)C)CC5    		 N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
    21512
    GRN
    ZINC000008462000    		 0 C9 H11 N O2 InChI=1S/C9H11NO2/c1-9(10
    ,8(11)12)7-5-3-2-4-6-7/h2
    -6H,10H2,1H3,(H,11,12)/t9
    -/m1/s1;
    HTCSFFGLRQDZDE-SECBINFHSA-N    		 C[C@](N)(C(O)=O)c1ccccc1; CC(c1ccccc1)(C
    (=O)O)N; O=C(O)C(N)(c1ccccc1)C; C[C@@](c
    1ccccc1)(C(=O)O)N; C[C](N)(C(O)=O)c1cccc
    c1    		 2-phenyl-L-alanine
    21513
    GRO
    ZINC000000391878    		 5 C9 H10 O2 InChI=1S/C9H10O2/c1-7(9(1
    0)11)8-5-3-2-4-6-8/h2-7H,
    1H3,(H,10,11)/t7-/m1/s1;
    YPGCWEMNNLXISK-SSDOTTSWSA-N    		 CC(c1ccccc1)C(=O)O; C[C@H](c1ccccc1)C(=O
    )O; C[C@@H](C(O)=O)c1ccccc1; O=C(O)C(c1c
    cccc1)C; C[CH](C(O)=O)c1ccccc1    		 R-2-PHENYL-PROPRIONIC ACID
    21514
    GRP    		 0 C24 H34 N7 O18 P3 InChI=1S/C24H34N7O18P3/c1
    -9-17(33)12(11(4-26-9)6-4
    4-50(37,38)39)5-27-13-3-1
    4(32)23(46-10(13)2)48-52(
    42,43)49-51(40,41)45-7-15
    -18(34)19(35)22(47-15)31-
    8-28-16-20(31)29-24(25)30
    -21(16)36/h4-5,8,10,13-15
    ,18-19,22-23,32-35H,3,6-7
    H2,1-2H3,(H,40,41)(H,42,4
    3)(H2,37,38,39)(H3,25,29,
    30,36)/b27-5-/t10-,13+,14
    +,15-,18-,19-,22-,23-/m1/
    s1;
    NJFQSOKHMSGVAE-UQPWFEBUSA-N    		 C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]
    2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34
    )N)[CH](O)C[CH]1N=Cc5c(O)c(C)ncc5CO[P](O
    )(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N\[C
    @H]2C[C@@H]([C@H](O[C@@H]2C)O[P@](=O)(O)
    O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H]
    (O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O; C[C@H]1
    O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C
    @H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=Nc34
    )N)[C@@H](O)C[C@@H]1N=Cc5c(O)c(C)ncc5CO[
    P](O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)C=N
    C2CC(C(OC2C)OP(=O)(O)OP(=O)(O)OCC3C(C(C(
    O3)n4cnc5c4N=C(NC5=O)N)O)O)O)O; O=C5NC(=
    Nc1c5ncn1C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4
    OC(C(/N=C\c3c(cnc(c3O)C)COP(=O)(O)O)CC4O
    )C)O)O)N    		 [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,5S,6R)-3-hydroxy-5-{[(1Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate
    21515
    GRQ
    CHEMBL1080997
    ZINC000001529208    		 2 C10 H16 O InChI=1S/C10H16O/c1-9(2)5
    -4-6-10(3)7-8-11/h5,7-8H,
    4,6H2,1-3H3/b10-7+;
    WTEVQBCEXWBHNA-JXMROGBWSA-N    		 CC(C)=CCC/C(C)=C/C=O; CC(=CCC/C(=C/C=O)/
    C)C; CC(C)=CCCC(C)=CC=O; CC(=CCCC(=CC=O)
    C)C    		 Geranaldehyde
    21516
    GRR
    CHEMBL191060
    DB07842
    ZINC000013671697    		 1 C17 H18 O3 InChI=1S/C17H18O3/c1-2-13
    -8-10-15(11-9-13)20-16(17
    (18)19)12-14-6-4-3-5-7-14
    /h3-11,16H,2,12H2,1H3,(H,
    18,19)/t16-/m0/s1;
    CJMVTSLLWMPEKQ-INIZCTEOSA-N    		 CCc1ccc(cc1)O[C@@H](Cc2ccccc2)C(=O)O; O=
    C(O)C(Oc1ccc(cc1)CC)Cc2ccccc2; CCc1ccc(O
    [CH](Cc2ccccc2)C(O)=O)cc1; CCc1ccc(cc1)O
    C(Cc2ccccc2)C(=O)O; CCc1ccc(O[C@@H](Cc2c
    cccc2)C(O)=O)cc1    		 (2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acid
    21517
    GRT    		 19 C29 H41 N7 O5 S InChI=1S/C29H41N7O5S/c1-2
    0(2)15-25(34-29(39)26(35-
    36-31)17-21-7-5-4-6-8-21)
    28(38)32-19-27(37)33-24(1
    3-14-42(3,40)41)16-22-9-1
    1-23(18-30)12-10-22/h4-12
    ,20,24-26H,13-19,30H2,1-3
    H3,(H,32,38)(H,33,37)(H,3
    4,39)/t24-,25+,26+/m1/s1;
    POJZTOVJTGGZDY-ZNZIZOMTSA-N    		 CC(C)CC(C(=O)NCC(=O)NC(CCS(=O)(=O)C)Cc1c
    cc(cc1)CN)NC(=O)C(Cc2ccccc2)N=[N+]=[N-];
    CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)N=[N+]=
    [N-])C(=O)NCC(=O)N[CH](CC[S](C)(=O)=O)Cc
    2ccc(CN)cc2; CC(C)C[C@@H](C(=O)NCC(=O)N[
    C@H](CCS(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)[C
    @H](Cc2ccccc2)N=[N+]=[N-]; CC(C)C[C@H](N
    C(=O)[C@H](Cc1ccccc1)N=[N+]=[N-])C(=O)NC
    C(=O)N[C@H](CC[S](C)(=O)=O)Cc2ccc(CN)cc2    		 (2~{S})-~{N}-[2-[[(2~{S})-1-[4-(aminomethyl)phenyl]-4-methylsulfonyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]-2-[[(2~{S})-2-azido-3-phenyl-propanoyl]amino]-4-methyl-pentanamide
    21518
    GRV
    CHEMBL1381910
    ZINC000000217162    		 2 C13 H17 N3 O InChI=1S/C13H17N3O/c1-9(2
    )8-14-13(17)12-10(3)15-11
    -6-4-5-7-16(11)12/h4-7,9H
    ,8H2,1-3H3,(H,14,17);
    QQNPIZGIGPGFPW-UHFFFAOYSA-N    		 CC(C)CNC(=O)c1n2ccccc2nc1C; Cc1c(n2ccccc
    2n1)C(=O)NCC(C)C    		 2-methyl-~{N}-(2-methylpropyl)imidazo[1,2-a]pyridine-3-carboxamide
    21519
    GRW    		 16 C31 H45 N7 O6 S InChI=1S/C31H45N7O6S/c1-2
    0(2)16-26(35-30(41)27(37-
    38-33)18-22-8-6-5-7-9-22)
    29(40)36-28(21(3)39)31(42
    )34-25(14-15-45(4,43)44)1
    7-23-10-12-24(19-32)13-11
    -23/h5-13,20-21,25-28,39H
    ,14-19,32H2,1-4H3,(H,34,4
    2)(H,35,41)(H,36,40)/t21-
    ,25-,26+,27-,28+/m1/s1;
    XLNBYEKPCUBUPH-GSQIWVKLSA-N    		 C[C@H]([C@@H](C(=O)N[C@H](CCS(=O)(=O)C)C
    c1ccc(cc1)CN)NC(=O)[C@H](CC(C)C)NC(=O)[C
    @@H](Cc2ccccc2)N=[N+]=[N-])O; CC(C)C[C@H
    ](NC(=O)[C@@H](Cc1ccccc1)N=[N+]=[N-])C(=
    O)N[C@@H]([C@@H](C)O)C(=O)N[C@H](CC[S](C
    )(=O)=O)Cc2ccc(CN)cc2; CC(C)C[CH](NC(=O)
    [CH](Cc1ccccc1)N=[N+]=[N-])C(=O)N[CH]([C
    H](C)O)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(
    CN)cc2; CC(C)CC(C(=O)NC(C(C)O)C(=O)NC(CC
    S(=O)(=O)C)Cc1ccc(cc1)CN)NC(=O)C(Cc2cccc
    c2)N=[N+]=[N-]
    21520
    GRX
    ZINC000098208969    		 2 C7 H14 F O8 P InChI=1S/C7H14FO8P/c8-7(1
    7(13,14)15)6-5(12)4(11)3(
    10)2(1-9)16-6/h2-7,9-12H,
    1H2,(H2,13,14,15)/t2-,3-,
    4+,5-,6-,7+/m1/s1;
    BUPRWODHUABASJ-GEGSFZHJSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)[C
    @@H](F)P(=O)(O)O)O)O)O)O; OC[C@H]1O[C@H]
    ([C@H](O)[C@@H](O)[C@@H]1O)[C@@H](F)[P](
    O)(O)=O; C(C1C(C(C(C(O1)C(F)P(=O)(O)O)O)
    O)O)O; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O
    )[CH](F)[P](O)(O)=O; O=P(O)(O)C(F)C1OC(C
    (O)C(O)C1O)CO    		 (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol;
    (S)-1-beta-phosphonofluoromethylene-1-deoxy-D-glucopyranose
    21521
    GRY
    ZINC000000154213    		 3 C12 H14 N4 InChI=1S/C12H14N4/c1-8-7-
    9(2)15-12(14-8)16-11-5-3-
    10(13)4-6-11/h3-7H,13H2,1
    -2H3,(H,14,15,16);
    SFVBOQCTJBQABR-UHFFFAOYSA-N    		 Cc1cc(nc(n1)Nc2ccc(cc2)N)C; Cc1cc(C)nc(N
    c2ccc(N)cc2)n1    		 ~{N}1-(4,6-dimethylpyrimidin-2-yl)benzene-1,4-diamine
    21522
    GRZ
    CHEMBL4176696    		 6 C15 H10 Cl F N4 O3 InChI=1S/C15H10ClFN4O3/c1
    6-9-1-6-14(24-11-4-2-10(1
    7)3-5-11)13(7-9)21-8-12(1
    8-20-21)15(22)19-23/h1-8,
    23H,(H,19,22);
    NXLUFTCWMNFMML-UHFFFAOYSA-N    		 c1cc(ccc1Oc2ccc(cc2n3cc(nn3)C(=O)NO)Cl)F
    ; ONC(=O)c1cn(nn1)c2cc(Cl)ccc2Oc3ccc(F)c
    c3    		 1-[5-chloranyl-2-(4-fluoranylphenoxy)phenyl]-~{N}-oxidanyl-1,2,3-triazole-4-carboxamide
    21523
    GS    		 0 C10 H14 N5 O6 P S InChI=1S/C10H14N5O6PS/c11
    -10-13-8-7(9(17)14-10)12-
    3-15(8)6-1-4(16)5(21-6)2-
    20-22(18,19)23/h3-6,16H,1
    -2H2,(H2,18,19,23)(H3,11,
    13,14,17)/t4-,5+,6+/m0/s1;
    PSIUGNOLTIFXCJ-KVQBGUIXSA-N    		 O=P(O)(S)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
    ; NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH]
    (CO[P](O)(S)=O)O3; c1nc2c(n1C3CC(C(O3)CO
    P(=O)(O)S)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3
    C[C@@H]([C@H](O3)CO[P@](=O)(O)S)O)N=C(NC
    2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H]
    (O)[C@@H](CO[P@](O)(S)=O)O3    		 GUANOSINE-5'-THIO-MONOPHOSPHATE
    21524
    GS0    		 12 C55 H74 Mg N4 O6 InChI=1S/C55H75N4O6.Mg/c1
    -13-39-34(7)41-29-46-48(3
    8(11)60)36(9)43(57-46)27-
    42-35(8)40(52(58-42)50-51
    (55(63)64-12)54(62)49-37(
    10)44(59-53(49)50)28-45(3
    9)56-41)23-24-47(61)65-26
    -25-33(6)22-16-21-32(5)20
    -15-19-31(4)18-14-17-30(2
    )3;/h25,27-32,34-35,39-40
    ,51H,13-24,26H2,1-12H3,(H
    -,56,57,58,59,60,62);/q-1
    ;+2/p-1/b33-25+;/t31-,32-
    ,34?,35?,39?,40?,51+;/m1.
    /s1;
    DSJXIQQMORJERS-NDWDOOJPSA-M    		 CC[C@@H]1[C@H](C2=Cc3c(c(c4n3[Mg]56[N]2=
    C1C=C7N5C8=C([C@@H](C(=O)C8=C7C)C(=O)OC)
    C9=[N]6C(=C4)[C@H]([C@@H]9CCC(=O)OC/C=C(
    \C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C)C)C
    (=O)C)C; CC[C@@H]1[C@H](C)C2=Cc3n4[Mg][N
    @]5C(=CC1=N2)C(=C6C(=O)[C@@H](C(=O)OC)C(
    =C56)C7=NC(=Cc4c(C)c3C(C)=O)[C@@H](C)[C@
    @H]7CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H]
    (C)CCCC(C)C)C; CCC1C(C2=Cc3c(c(c4n3[Mg]5
    6[N]2=C1C=C7N5C8=C(C(C(=O)C8=C7C)C(=O)OC
    )C9=[N]6C(=C4)C(C9CCC(=O)OCC=C(C)CCCC(C)
    CCCC(C)CCCC(C)C)C)C)C(=O)C)C; CC[CH]1[CH
    ](C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)
    [CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C(C)
    =O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)
    CCC[CH](C)CCCC(C)C)C    		 Bacteriochlorophyll A isomer
    21525
    GS1
    CHEMBL132376
    DB03859
    ZINC000003815614    		 14 C6 H12 O5 S InChI=1S/C6H12O5S/c7-1-2-
    3(8)4(9)5(10)6(12)11-2/h2
    -10,12H,1H2/t2-,3-,4+,5-,
    6+/m1/s1;
    JUSMHIGDXPKSID-DVKNGEFBSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)S)
    O)O)O)O; OC1C(O)C(OC(S)C1O)CO; C(C1C(C(C
    (C(O1)S)O)O)O)O; OC[CH]1O[CH](S)[CH](O)[
    CH](O)[CH]1O; OC[C@H]1O[C@@H](S)[C@H](O)
    [C@@H](O)[C@@H]1O    		 1-thio-beta-D-glucopyranose;
    1-thio-beta-D-glucose;
    1-thio-D-glucose;
    1-thio-glucose
    21526
    GS2    		 1 C27 H27 F N8 O3 InChI=1S/C27H27FN8O3/c1-2
    9-26(38)23-17(28)6-5-7-18
    (23)31-25-16-8-10-30-24(1
    6)33-27(34-25)32-19-13-20
    -15(12-21(19)39-4)9-11-36
    (20)22(37)14-35(2)3/h5-13
    H,14H2,1-4H3,(H,29,38)(H3
    ,30,31,32,33,34);
    DESOLSKAHZZIGK-UHFFFAOYSA-N    		 CNC(=O)c1c(F)cccc1Nc2nc(Nc3cc4n(ccc4cc3O
    C)C(=O)CN(C)C)nc5[nH]ccc25; CNC(=O)c1c(c
    ccc1F)Nc2c3cc[nH]c3nc(n2)Nc4cc5c(ccn5C(=
    O)CN(C)C)cc4OC; O=C(n2c1cc(c(OC)cc1cc2)N
    c3nc5c(c(n3)Nc4cccc(F)c4C(=O)NC)ccn5)CN(
    C)C    		 2-[(2-{[1-(N,N-dimethylglycyl)-5-methoxy-1H-indol-6-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-6-fluoro-N-methylbenzamide
    21527
    GS3
    CHEMBL507625
    ZINC000053186795    		 1 C27 H31 F N8 O2 InChI=1S/C27H31FN8O2/c1-1
    6(2)35-11-13-36(14-12-35)
    17-7-8-20(22(15-17)38-3)3
    2-27-33-25-18(9-10-30-25)
    26(34-27)31-21-6-4-5-19(2
    8)23(21)24(29)37/h4-10,15
    -16H,11-14H2,1-3H3,(H2,29
    ,37)(H3,30,31,32,33,34);
    HXZDICYKFAOZLE-UHFFFAOYSA-N    		 COc1cc(ccc1Nc2nc3[nH]ccc3c(Nc4cccc(F)c4C
    (N)=O)n2)N5CCN(CC5)C(C)C; CC(C)N1CCN(CC1
    )c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5c
    ccc(c5C(=O)N)F; Fc1cccc(c1C(=O)N)Nc3nc(n
    c2nccc23)Nc5ccc(N4CCN(C(C)C)CC4)cc5OC    		 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
    21528
    GS4    		 0 C6 H12 O5 S InChI=1/C6H12O5S/c7-1-2-5
    (12)3(8)4(9)6(10)11-2/h2-
    10,12H,1H2/t2-,3-,4-,5-,6
    -/m1/s1;
    KGSURTOFVLAWDC-QZABAPFNBN    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)
    O)O)S)O; OC[C@H]1O[C@@H](O)[C@H](O)[C@@H
    ](O)[C@@H]1S; OC1C(S)C(OC(O)C1O)CO; C(C1
    C(C(C(C(O1)O)O)O)S)O; OC[CH]1O[CH](O)[CH
    ](O)[CH](O)[CH]1S    		 4-THIO-BETA-D-GLUCOPYRANOSE
    21529
    GS5
    CHEMBL220529
    DB07843
    ZINC000014950088    		 1 C19 H22 Cl N3 O5 S2 InChI=1S/C19H22ClN3O5S2/c
    1-12(18(24)22-6-8-28-9-7-
    22)23-5-4-15(19(23)25)21-
    30(26,27)17-11-13-10-14(2
    0)2-3-16(13)29-17/h2-3,10
    -12,15,21H,4-9H2,1H3/t12-
    ,15-/m0/s1;
    LTJNKFUIOOJXNJ-WFASDCNBSA-N    		 C[C@H](N1CC[C@H](N[S](=O)(=O)c2sc3ccc(Cl
    )cc3c2)C1=O)C(=O)N4CCOCC4; O=C(N1CCOCC1)
    C(N4C(=O)C(NS(=O)(=O)c3sc2ccc(Cl)cc2c3)C
    C4)C; CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)
    (=O)c3cc4cc(ccc4s3)Cl; C[C@@H](C(=O)N1CC
    OCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4cc(c
    cc4s3)Cl; C[CH](N1CC[CH](N[S](=O)(=O)c2s
    c3ccc(Cl)cc3c2)C1=O)C(=O)N4CCOCC4    		 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE
    21530
    GS6
    CHEMBL217914
    DB07844
    ZINC000014950092    		 1 C19 H22 Cl N3 O5 S2 InChI=1S/C19H22ClN3O5S2/c
    1-12(18(24)22-6-8-28-9-7-
    22)23-5-4-15(19(23)25)21-
    30(26,27)17-10-13-2-3-14(
    20)11-16(13)29-17/h2-3,10
    -12,15,21H,4-9H2,1H3/t12-
    ,15-/m0/s1;
    PHLKBODTBJLXRD-WFASDCNBSA-N    		 CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3
    cc4ccc(cc4s3)Cl; O=C(N1CCOCC1)C(N4C(=O)C
    (NS(=O)(=O)c3sc2cc(Cl)ccc2c3)CC4)C; C[CH
    ](N1CC[CH](N[S](=O)(=O)c2sc3cc(Cl)ccc3c2
    )C1=O)C(=O)N4CCOCC4; C[C@@H](C(=O)N1CCOC
    C1)N2CC[C@@H](C2=O)NS(=O)(=O)c3cc4ccc(cc
    4s3)Cl; C[C@H](N1CC[C@H](N[S](=O)(=O)c2s
    c3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4    		 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-2-SULFONAMIDE
    21531
    GS7
    DB07845
    ZINC000039193784    		 1 C22 H21 F N6 O4 S InChI=1S/C22H21FN6O4S/c1-
    33-17-10-12(11-34(2,31)32
    )6-7-15(17)27-22-28-20-13
    (8-9-25-20)21(29-22)26-16
    -5-3-4-14(23)18(16)19(24)
    30/h3-10H,11H2,1-2H3,(H2,
    24,30)(H3,25,26,27,28,29);
    VGYXXQRDIVRILX-UHFFFAOYSA-N    		 COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc(
    c4C(=O)N)F)CS(=O)(=O)C; O=S(=O)(C)Cc1ccc
    (c(OC)c1)Nc2nc4c(c(n2)Nc3cccc(F)c3C(=O)N
    )ccn4; COc1cc(C[S](C)(=O)=O)ccc1Nc2nc3[n
    H]ccc3c(Nc4cccc(F)c4C(N)=O)n2    		 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
    21532
    GS8
    ZINC000219973738    		 11 C10 H17 N3 O7 S InChI=1S/C10H17N3O7S/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,(H,12,
    17)(H,13,14)(H,15,16)(H,1
    8,19)/t5-,6-/m0/s1;
    PFXSQLOWBQWLCX-WDSKDSINSA-N    		 N[C@@H](CCC(=O)N[C@@H](CSO)C(=O)NCC(O)=O
    )C(O)=O; C(CC(=O)NC(CSO)C(=O)NCC(=O)O)C(
    C(=O)O)N; O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)
    O)N)CSO; C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O
    )O)[C@@H](C(=O)O)N; N[CH](CCC(=O)N[CH](C
    SO)C(=O)NCC(O)=O)C(O)=O    		 S-Hydroxy-Glutathione
    21533
    GS9
    CHEMBL3590184
    ZINC000095920922    		 4 C16 H18 O5 S InChI=1S/C16H18O5S/c17-8-
    12-13(18)14(19)15(20)16(2
    1-12)22-11-6-5-9-3-1-2-4-
    10(9)7-11/h1-7,12-20H,8H2
    /t12-,13+,14+,15-,16+/m1/
    s1;
    UTPJJZURVZIAID-CWVYHPPDSA-N    		 OC[CH]1O[CH](Sc2ccc3ccccc3c2)[CH](O)[CH]
    (O)[CH]1O; OC[C@H]1O[C@@H](Sc2ccc3ccccc3
    c2)[C@H](O)[C@@H](O)[C@H]1O; S(c1ccc2c(c
    1)cccc2)C3OC(C(O)C(O)C3O)CO; c1ccc2cc(cc
    c2c1)SC3C(C(C(C(O3)CO)O)O)O; c1ccc2cc(cc
    c2c1)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)
    CO)O)O)O    		 naphthalen-2-yl 1-thio-beta-D-galactopyranoside;
    naphthalen-2-yl 1-thio-beta-D-galactoside;
    naphthalen-2-yl 1-thio-D-galactoside;
    naphthalen-2-yl 1-thio-galactoside
    21534
    GSA    		 0 C6 H12 O9 S InChI=1/C6H12O9S/c7-1-2-5
    (15-16(11,12)13)3(8)4(9)6
    (10)14-2/h2-10H,1H2,(H,11
    ,12,13)/t2-,3-,4-,5+,6-/m
    1/s1/f/h11H;
    LOTQRUGOUKUSEY-FTKNYABVDI    		 C(C1C(C(C(C(O1)O)O)O)OS(=O)(=O)O)O; OC[C
    H]1O[CH](O)[CH](O)[CH](O)[CH]1O[S](O)(=O
    )=O; O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO; C([
    C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)
    O)OS(=O)(=O)O)O; OC[C@H]1O[C@@H](O)[C@H]
    (O)[C@@H](O)[C@H]1O[S](O)(=O)=O    		 O4-SULFONYLGALACTOSE
    21535
    GSB
    DB03602
    ZINC000003874918    		 16 C17 H23 N3 O6 S InChI=1S/C17H23N3O6S/c18-
    12(17(25)26)6-7-14(21)20-
    13(16(24)19-8-15(22)23)10
    -27-9-11-4-2-1-3-5-11/h1-
    5,12-13H,6-10,18H2,(H,19,
    24)(H,20,21)(H,22,23)(H,2
    5,26)/t12-,13-/m0/s1;
    XYJWEQWNNKNSFU-STQMWFEESA-N    		 c1ccc(cc1)CSC[C@@H](C(=O)NCC(=O)O)NC(=O)
    CC[C@@H](C(=O)O)N; N[CH](CCC(=O)N[CH](CS
    Cc1ccccc1)C(=O)NCC(O)=O)C(O)=O; N[C@@H](
    CCC(=O)N[C@@H](CSCc1ccccc1)C(=O)NCC(O)=O
    )C(O)=O; c1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC
    (=O)CCC(C(=O)O)N; O=C(O)C(N)CCC(=O)NC(C(
    =O)NCC(=O)O)CSCc1ccccc1    		 S-BENZYL-GLUTATHIONE
    21536
    GSC    		 0 C4 H9 N O2 S InChI=1S/C4H9NO2S/c1-2-8-
    3(5)4(6)7/h3H,2,5H2,1H3,(
    H,6,7)/t3-/m0/s1;
    HHTTVXNPKPIBQE-VKHMYHEASA-N    		 CCS[CH](N)C(O)=O; CCS[C@H](N)C(O)=O; CCS
    C(C(=O)O)N; O=C(O)C(SCC)N; CCS[C@@H](C(=
    O)O)N    		 2-ETHYLTHIO GLYCINE
    21537
    GSD    		 0 C6 H12 O5 S InChI=1/C6H12O5S/c7-1-2-5
    (12)3(8)4(9)6(10)11-2/h2-
    10,12H,1H2/t2-,3-,4-,5-,6
    ?/m1/s1;
    KGSURTOFVLAWDC-IVMDWMLBBI    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)
    O)O)S)O; OC[C@H]1O[C@@H](O)[C@H](O)[C@@H
    ](O)[C@@H]1S; OC1C(S)C(OC(O)C1O)CO; C(C1
    C(C(C(C(O1)O)O)O)S)O; OC[CH]1O[CH](O)[CH
    ](O)[CH](O)[CH]1S    		 4-THIO-D-GLUCOSE
    21538
    GSE
    DB02497    		 1 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-5(6
    (10)11)3-15-16(12,13)14-2
    -4(9)1-8/h4-5,8-9H,1-3,7H
    2,(H,10,11)(H,12,13)/t4-,
    5+/m1/s1;
    ZWZWYGMENQVNFU-UHNVWZDZSA-N    		 O=C(O)C(N)COP(=O)(OCC(O)CO)O; C(C(COP(=O
    )(O)OCC(C(=O)O)N)O)O; N[CH](CO[P](O)(=O)
    OC[CH](O)CO)C(O)=O; N[C@@H](CO[P@](O)(=O
    )OC[C@H](O)CO)C(O)=O; C([C@H](CO[P@](=O)
    (O)OC[C@@H](C(=O)O)N)O)O    		 L-ALPHA-GLYCEROPHOSPHORYLSERINE
    21539
    GSF
    DB04700
    ZINC000012504471    		 9 C10 H17 N3 O8 S InChI=1S/C10H17N3O8S/c11-
    5(10(18)19)1-2-7(14)13-6(
    4-22(20)21)9(17)12-3-8(15
    )16/h5-6H,1-4,11H2,(H,12,
    17)(H,13,14)(H,15,16)(H,1
    8,19)(H,20,21)/t5-,6-/m0/
    s1;
    DMAPAHUEYHXRFI-WDSKDSINSA-N    		 C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)
    O)[C@@H](C(=O)O)N; C(CC(=O)NC(CS(=O)O)C(
    =O)NCC(=O)O)C(C(=O)O)N; N[C@@H](CCC(=O)N
    [C@@H](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O; O
    =C(NC(C(=O)NCC(=O)O)CS(=O)O)CCC(C(=O)O)N
    ; N[CH](CCC(=O)N[CH](C[S](O)=O)C(=O)NCC(
    O)=O)C(O)=O    		 L-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE;
    GLUTATHIONE SULFINATE
    21540
    GSG
    DB07846    		 1 C22 H27 N3 O3 InChI=1S/C22H27N3O3/c1-5-
    15-8-6-7-9-18(15)23-21(26
    )28-16-10-11-19-17(14-16)
    22(2)12-13-25(4,27)20(22)
    24(19)3/h6-11,14,20H,5,12
    -13H2,1-4H3,(H,23,26);
    MVHRCJQCKYPDRL-UHFFFAOYSA-N    		 CCc1ccccc1NC(=O)Oc2ccc3c(c2)[C@]4(CC[N@+
    ]([C@@H]4[N@]3C)(C)[O-])C; O=C(Oc1cc2c(c
    c1)N(C3[N+]([O-])(CCC23C)C)C)Nc4ccccc4CC
    ; CCc1ccccc1NC(=O)Oc2ccc3c(c2)C4(CC[N+](
    C4N3C)(C)[O-])C; CCc1ccccc1NC(=O)Oc2ccc3
    N(C)C4C(C)(CC[N+]4(C)[O-])c3c2    		 1S,3AS,8AS-TRIMETHYL-1-OXIDO-1,2,3,3A,8,8A-HEXAHYDROPYRROLO[2,3-B]INDOL-5-YL 2-ETHYLPHENYLCARBAMATE;
    GANSTIGMINE;
    (-)-(3AS,8AS,1S)-1,2,3,3A,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO[2,3-B]INDOL-5-OL-2'-ETHYLPHENYLCARBAMATE N-OXIDE HYDROCHLORIDE
    21541
    GSH
    CHEMBL1543
    DB00143
    ZINC000003830891    		 1165 C10 H17 N3 O6 S InChI=1S/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,12,17)
    (H,13,14)(H,15,16)(H,18,1
    9)/t5-,6-/m0/s1;
    RWSXRVCMGQZWBV-WDSKDSINSA-N    		 O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS; C(
    CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(
    =O)O)N; N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O
    )=O)C(O)=O; N[C@@H](CCC(=O)N[C@@H](CS)C(
    =O)NCC(O)=O)C(O)=O; C(CC(=O)NC(CS)C(=O)N
    CC(=O)O)C(C(=O)O)N    		 GLUTATHIONE
    21542
    GSI
    ZINC000029130721    		 1 C22 H25 Cl F N5 O3 S2 InChI=1S/C22H25ClFN5O3S2/
    c1-27(2)14-21-25-9-11-28(
    21)15-3-5-19(17(24)13-15)
    29-10-7-18(22(29)30)26-34
    (31,32)12-8-16-4-6-20(23)
    33-16/h3-6,9,11,13,18,26H
    ,7-8,10,12,14H2,1-2H3/t18
    -/m0/s1;
    JENHCPNBBPPGMN-SFHVURJKSA-N    		 CN(C)Cc1nccn1c2ccc(c(c2)F)N3CC[C@@H](C3=
    O)NS(=O)(=O)CCc4ccc(s4)Cl; CN(C)Cc1nccn1
    c2ccc(N3CC[CH](N[S](=O)(=O)CCc4sc(Cl)cc4
    )C3=O)c(F)c2; Clc1sc(cc1)CCS(=O)(=O)NC4C
    (=O)N(c3ccc(n2ccnc2CN(C)C)cc3F)CC4; CN(C
    )Cc1nccn1c2ccc(N3CC[C@H](N[S](=O)(=O)CCc
    4sc(Cl)cc4)C3=O)c(F)c2; CN(C)Cc1nccn1c2c
    cc(c(c2)F)N3CCC(C3=O)NS(=O)(=O)CCc4ccc(s
    4)Cl    		 2-(5-chlorothiophen-2-yl)-N-[(3S)-1-(4-{2-[(dimethylamino)methyl]-1H-imidazol-1-yl}-2-fluorophenyl)-2-oxopyrrolidin-3-yl]ethanesulfonamide
    21543
    GSJ
    CHEMBL373451
    ZINC000014950028    		 1 C23 H31 Cl N4 O6 S2 InChI=1S/C23H31ClN4O6S2/c
    1-15(2)27(12-10-25-35(4,3
    1)32)22(29)16(3)28-11-9-2
    1(23(28)30)26-36(33,34)20
    -8-6-17-13-19(24)7-5-18(1
    7)14-20/h5-8,13-16,21,25-
    26H,9-12H2,1-4H3/t16-,21-
    /m0/s1;
    MTIPCPPIOZUMIV-KKSFZXQISA-N    		 O=S(=O)(NCCN(C(=O)C(N3C(=O)C(NS(=O)(=O)c
    2cc1ccc(Cl)cc1cc2)CC3)C)C(C)C)C; CC(C)N(
    CCN[S](C)(=O)=O)C(=O)[C@H](C)N1CC[C@H](N
    [S](=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O; CC(C
    )N(CCNS(=O)(=O)C)C(=O)[C@H](C)N1CC[C@@H]
    (C1=O)NS(=O)(=O)c2ccc3cc(ccc3c2)Cl; CC(C
    )N(CCNS(=O)(=O)C)C(=O)C(C)N1CCC(C1=O)NS(
    =O)(=O)c2ccc3cc(ccc3c2)Cl; CC(C)N(CCN[S]
    (C)(=O)=O)C(=O)[CH](C)N1CC[CH](N[S](=O)(
    =O)c2ccc3cc(Cl)ccc3c2)C1=O    		 1-PYRROLIDINEACETAMIDE, 3-[[(6-CHLORO-2-NAPHTHALENYL)SULFONYL]AMINO]-ALPHA-METHYL-N-(1-METHYLETHYL)-N-[2-[(METHYLSULFONYL)AMINO]ETHYL]-2-OXO-, (ALPHAS,3S)-
    21544
    GSK
    CHEMBL385587
    DB07847
    ZINC000014950061    		 1 C21 H24 Cl N3 O5 S InChI=1S/C21H24ClN3O5S/c1
    -14(20(26)24-8-10-30-11-9
    -24)25-7-6-19(21(25)27)23
    -31(28,29)18-5-3-15-12-17
    (22)4-2-16(15)13-18/h2-5,
    12-14,19,23H,6-11H2,1H3/t
    14-,19-/m0/s1;
    ICLOZQFWTRAYPX-LIRRHRJNSA-N    		 C[CH](N1CC[CH](N[S](=O)(=O)c2ccc3cc(Cl)c
    cc3c2)C1=O)C(=O)N4CCOCC4; O=C(N1CCOCC1)C
    (N4C(=O)C(NS(=O)(=O)c3cc2ccc(Cl)cc2cc3)C
    C4)C; C[C@H](N1CC[C@H](N[S](=O)(=O)c2ccc
    3cc(Cl)ccc3c2)C1=O)C(=O)N4CCOCC4; CC(C(=
    O)N1CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc4cc
    (ccc4c3)Cl; C[C@@H](C(=O)N1CCOCC1)N2CC[C
    @@H](C2=O)NS(=O)(=O)c3ccc4cc(ccc4c3)Cl    		 6-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-(4-MORPHOLINYL)-2-OXO ETHYL]-2-OXO-3-PYRROLIDINYL}-2-NAPHTHALENESULFONAMIDE
    21545
    GSL
    CHEMBL406974
    ZINC000024753414    		 3 C38 H73 N O9 InChI=1S/C38H73NO9/c1-3-5
    -7-9-11-13-15-16-18-19-21
    -23-25-27-31(40)30(29-47-
    38-35(44)33(42)34(43)36(4
    8-38)37(45)46)39-32(41)28
    -26-24-22-20-17-14-12-10-
    8-6-4-2/h30-31,33-36,38,4
    0,42-44H,3-29H2,1-2H3,(H,
    39,41)(H,45,46)/t30-,31+,
    33-,34+,35+,36-,38-/m0/s1;
    IRPOZWRRAFKYMQ-LMIAXWKISA-N    		 CCCCCCCCCCCCCCCC(C(COC1C(C(C(C(O1)C(=O)O
    )O)O)O)NC(=O)CCCCCCCCCCCCC)O; CCCCCCCCCC
    CCCCC[C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([
    C@H]([C@H](O1)C(=O)O)O)O)O)NC(=O)CCCCCCC
    CCCCCC)O; CCCCCCCCCCCCCCC[CH](O)[CH](CO[
    CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O)NC
    (=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCCC[C@@H]
    (O)[C@H](CO[C@H]1O[C@@H]([C@H](O)[C@H](O
    )[C@H]1O)C(O)=O)NC(=O)CCCCCCCCCCCCC; O=C
    (O)C1OC(OCC(NC(=O)CCCCCCCCCCCCC)C(O)CCCC
    CCCCCCCCCCC)C(O)C(O)C1O    		 (2S,3R)-3-HYDROXY-2-(TETRADECANOYLAMINO)OCTADECYL ALPHA-D-GALACTOPYRANOSIDURONIC ACID;
    (2S,3R)-N-MYRISTOYL-1-O-(ALPHA-D-GALACTURONOSYL)-2-N-OCTADECANE-3-OL
    21546
    GSM
    CHEMBL1233129
    DB04701
    ZINC000001532230    		 8 C11 H19 N3 O6 S InChI=1S/C11H19N3O6S/c1-2
    1-5-7(10(18)13-4-9(16)17)
    14-8(15)3-2-6(12)11(19)20
    /h6-7H,2-5,12H2,1H3,(H,13
    ,18)(H,14,15)(H,16,17)(H,
    19,20)/t6-,7-/m0/s1;
    QTQDDTSVRVWHMO-BQBZGAKWSA-N    		 CSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC
    (O)=O; CSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=
    O)NCC(O)=O; CSC[C@@H](C(=O)NCC(=O)O)NC(=
    O)CC[C@@H](C(=O)O)N; O=C(NCC(=O)O)C(NC(=
    O)CCC(C(=O)O)N)CSC; CSCC(C(=O)NCC(=O)O)N
    C(=O)CCC(C(=O)O)N    		 L-GAMMA-GLUTAMYL-S-METHYLCYSTEINYLGLYCINE;
    S-METHYL-GLUTATHIONE
    21547
    GSN    		 8 C10 H14 N4 O7 S InChI=1S/C10H16N4O7S/c11-
    5(10(19)20)1-2-7(15)13-6(
    4-22-14-21)9(18)12-3-8(16
    )17/h5-6H,1-4,11H2,(H,12,
    18)(H,13,15)(H,16,17)(H,1
    9,20)/p-2/t5-,6-/m0/s1;
    HYHSBSXUHZOYLX-WDSKDSINSA-L    		 C(CC(=O)N[C@@H](CSN=O)C(=O)NCC(=O)[O-])[
    C@@H](C(=O)[O-])N; N[C@@H](CCC(=O)N[C@@H
    ](CSN=O)C(=O)NCC([O-])=O)C([O-])=O; C(CC
    (=O)NC(CSN=O)C(=O)NCC(=O)[O-])C(C(=O)[O-
    ])N; N[CH](CCC(=O)N[CH](CSN=O)C(=O)NCC([
    O-])=O)C([O-])=O; O=C(NC(C(=O)NCC([O-])=
    O)CSN=O)CCC(C([O-])=O)N    		 2-AMINO-5-[1-(CARBOXYLATOMETHYLCARBAMOYL)-2-NITROSOSULFANYL-ETHYL]AMINO-5-OXO-PENTANOATE;
    S-NITROSOGLUTATHIONE;
    S-NITROSO GAMMA-GLUTAMYLCYSTEINYLGLYCINE
    21548
    GSO    		 4 C18 H25 N3 O7 S InChI=1S/C18H25N3O7S/c19-
    12(18(27)28)6-7-15(23)21-
    13(17(26)20-8-16(24)25)9-
    29-10-14(22)11-4-2-1-3-5-
    11/h1-5,12-14,22H,6-10,19
    H2,(H,20,26)(H,21,23)(H,2
    4,25)(H,27,28)/t12-,13-,1
    4+/m0/s1;
    SZOWFFWYTHGUAW-MELADBBJSA-N    		 N[CH](CCC(=O)N[CH](CSC[CH](O)c1ccccc1)C(
    =O)NCC(O)=O)C(O)=O; c1ccc(cc1)[C@@H](CSC
    [C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O
    )O)N)O; N[C@@H](CCC(=O)N[C@@H](CSC[C@@H]
    (O)c1ccccc1)C(=O)NCC(O)=O)C(O)=O; c1ccc(
    cc1)C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)
    O)N)O; O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O
    )CSCC(O)c1ccccc1    		 L-GAMMA-GLUTAMYL-S-[(2S)-2-HYDROXY-2-PHENYLETHYL]-L-CYSTEINYLGLYCINE
    21549
    GSP
    CHEMBL1204628
    DB01864
    ZINC000008217391    		 296 C10 H16 N5 O13 P3 S InChI=1S/C10H16N5O13P3S/c
    11-10-13-7-4(8(18)14-10)1
    2-2-15(7)9-6(17)5(16)3(26
    -9)1-25-29(19,20)27-30(21
    ,22)28-31(23,24)32/h2-3,5
    -6,9,16-17H,1H2,(H,19,20)
    (H,21,22)(H2,23,24,32)(H3
    ,11,13,14,18)/t3-,5-,6-,9
    -/m1/s1;
    XOFLBQFBSOEHOG-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O
    P(=S)(O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2
    C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@
    @](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O;
    c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    [P@](=O)(O)O[P@](=O)(O)OP(=S)(O)O)O)O)N=
    C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[C
    H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[
    CH](O)[CH]3O; S=P(O)(O)OP(=O)(O)OP(=O)(O
    )OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O    		 5'-GUANOSINE-DIPHOSPHATE-MONOTHIOPHOSPHATE
    21550
    GSQ
    CHEMBL375112
    DB07848
    ZINC000014950104    		 1 C19 H23 Cl N4 O5 S InChI=1S/C19H23ClN4O5S/c1
    -12(18(25)23-6-8-29-9-7-2
    3)24-5-4-16(19(24)26)22-3
    0(27,28)17-11-13-10-14(20
    )2-3-15(13)21-17/h2-3,10-
    12,16,21-22H,4-9H2,1H3/t1
    2-,16-/m0/s1;
    BHNMMFGOJRIAEZ-LRDDRELGSA-N    		 C[C@H](N1CC[C@H](N[S](=O)(=O)c2[nH]c3ccc
    (Cl)cc3c2)C1=O)C(=O)N4CCOCC4; C[C@@H](C(
    =O)N1CCOCC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3
    cc4cc(ccc4[nH]3)Cl; C[CH](N1CC[CH](N[S](
    =O)(=O)c2[nH]c3ccc(Cl)cc3c2)C1=O)C(=O)N4
    CCOCC4; CC(C(=O)N1CCOCC1)N2CCC(C2=O)NS(=
    O)(=O)c3cc4cc(ccc4[nH]3)Cl; O=C(N1CCOCC1
    )C(N4C(=O)C(NS(=O)(=O)c3cc2cc(Cl)ccc2n3)
    CC4)C    		 5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-5-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-SULFONAMIDE
    21551
    GSR
    ZINC000058660356    		 0 C18 H22 N5 O8 P InChI=1S/C18H22N5O8P/c24-
    7-11(10-4-2-1-3-5-10)20-1
    8-21-16-15(17(26)22-18)19
    -9-23(16)14-6-12(25)13(31
    -14)8-30-32(27,28)29/h1-5
    ,9,11-14,24-25H,6-8H2,(H2
    ,27,28,29)(H2,20,21,22,26
    )/t11-,12-,13+,14+/m0/s1;
    PJRDXCSKOSXVOB-IGQOVBAYSA-N    		 c1ccc(cc1)C(CO)NC2=Nc3c(ncn3C4CC(C(O4)CO
    P(=O)(O)O)O)C(=O)N2; OC[C@H](NC1=Nc2n(cn
    c2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)
    (O)=O)O3)c4ccccc4; c1ccc(cc1)[C@H](CO)NC
    2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O
    )(O)O)O)C(=O)N2; O=C2c3ncn(c3N=C(NC(c1cc
    ccc1)CO)N2)C4OC(C(O)C4)COP(=O)(O)O; OC[C
    H](NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH
    ](CO[P](O)(O)=O)O3)c4ccccc4    		 2'-DEOXY-N2-(R)STYRENE OXIDE GUANOSINE MONOPHOSPHATE
    21552
    GSS
    ZINC000058660419    		 0 C18 H22 N5 O8 P InChI=1S/C18H22N5O8P/c24-
    7-11(10-4-2-1-3-5-10)20-1
    8-21-16-15(17(26)22-18)19
    -9-23(16)14-6-12(25)13(31
    -14)8-30-32(27,28)29/h1-5
    ,9,11-14,24-25H,6-8H2,(H2
    ,27,28,29)(H2,20,21,22,26
    )/t11-,12+,13-,14-/m1/s1;
    PJRDXCSKOSXVOB-XJFOESAGSA-N    		 c1ccc(cc1)C(CO)NC2=Nc3c(ncn3C4CC(C(O4)CO
    P(=O)(O)O)O)C(=O)N2; c1ccc(cc1)[C@@H](CO
    )NC2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP
    (=O)(O)O)O)C(=O)N2; OC[C@@H](NC1=Nc2n(cn
    c2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)
    (O)=O)O3)c4ccccc4; O=C2c3ncn(c3N=C(NC(c1
    ccccc1)CO)N2)C4OC(C(O)C4)COP(=O)(O)O; OC
    [CH](NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[
    CH](CO[P](O)(O)=O)O3)c4ccccc4    		 2'-DEOXY-N2-(S)STYRENE OXIDE GUANOSINE MONOPHOSPHATE
    21553
    GST
    DB04702    		 58 C10 H20 O6 P2 S InChI=1S/C10H20O6P2S/c1-9
    (2)5-4-6-10(3)7-8-19-18(1
    4,15)16-17(11,12)13/h5,7H
    ,4,6,8H2,1-3H3,(H,14,15)(
    H2,11,12,13)/b10-7+;
    AKIXWSDUEPPMKM-JXMROGBWSA-N    		 CC(=CCCC(=CCSP(=O)(O)OP(=O)(O)O)C)C; CC(
    C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O; CC
    (=CCCC(=CCS[P@](=O)(O)OP(=O)(O)O)C)C; CC
    (C)=CCCC(/C)=C/CS[P@@](O)(=O)O[P](O)(O)=
    O; O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)C
    )C    		 GERANYL S-THIOLODIPHOSPHATE;
    S-[(2E)-3,7-DIMETHYLOCTA-2,6-DIENYL] TRIHYDROGEN THIODIPHOSPHATE
    21554
    GSU
    CHEMBL1163071
    ZINC000014967046    		 13 C15 H21 N7 O9 S InChI=1S/C15H21N7O9S/c16-
    6(1-2-8(23)24)14(27)21-32
    (28,29)30-3-7-10(25)11(26
    )15(31-7)22-5-20-9-12(17)
    18-4-19-13(9)22/h4-7,10-1
    1,15,25-26H,1-3,16H2,(H,2
    1,27)(H,23,24)(H2,17,18,1
    9)/t6-,7+,10+,11+,15+/m0/
    s1;
    YBRKRYFZKHICLS-WERHYGNASA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)
    NC(=O)C(CCC(=O)O)N)O)O)N; N[C@@H](CCC(O)
    =O)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@H]
    (O)[C@@H]1O)n2cnc3c(N)ncnc23; c1nc(c2c(n
    1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS
    (=O)(=O)NC(=O)[C@H](CCC(=O)O)N)O)O)N; N[
    CH](CCC(O)=O)C(=O)N[S](=O)(=O)OC[CH]1O[C
    H]([CH](O)[CH]1O)n2cnc3c(N)ncnc23; O=C(O
    )CCC(N)C(=O)NS(=O)(=O)OCC3OC(n2cnc1c(ncn
    c12)N)C(O)C3O    		 O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE
    21555
    GSV
    ZINC000038139023    		 1 C23 H22 Cl F N2 O5 S3 InChI=1S/C23H22ClFN2O5S3/
    c1-34(29,30)21-5-3-2-4-17
    (21)15-6-8-20(18(25)14-15
    )27-12-10-19(23(27)28)26-
    35(31,32)13-11-16-7-9-22(
    24)33-16/h2-9,14,19,26H,1
    0-13H2,1H3/t19-/m0/s1;
    MRKBPFVJGAHTFU-IBGZPJMESA-N    		 CS(=O)(=O)c1ccccc1c2ccc(c(c2)F)N3CCC(C3=
    O)NS(=O)(=O)CCc4ccc(s4)Cl; CS(=O)(=O)c1c
    cccc1c2ccc(c(c2)F)N3CC[C@@H](C3=O)NS(=O)
    (=O)CCc4ccc(s4)Cl; C[S](=O)(=O)c1ccccc1c
    2ccc(N3CC[C@H](N[S](=O)(=O)CCc4sc(Cl)cc4
    )C3=O)c(F)c2; C[S](=O)(=O)c1ccccc1c2ccc(
    N3CC[CH](N[S](=O)(=O)CCc4sc(Cl)cc4)C3=O)
    c(F)c2; Clc1sc(cc1)CCS(=O)(=O)NC4C(=O)N(
    c3ccc(c2ccccc2S(=O)(=O)C)cc3F)CC4    		 2-(5-chlorothiophen-2-yl)-N-{(3S)-1-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
    21556
    GSW    		 0 C10 H17 N3 O6 S InChI=1S/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,12,17)
    (H,13,14)(H,15,16)(H,18,1
    9)/t5-,6+/m1/s1;
    RWSXRVCMGQZWBV-RITPCOANSA-N    		 O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS; C(
    CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@H](C(=
    O)O)N; N[C@H](CCC(=O)N[C@@H](CS)C(=O)NCC
    (O)=O)C(O)=O; N[CH](CCC(=O)N[CH](CS)C(=O
    )NCC(O)=O)C(O)=O; C(CC(=O)NC(CS)C(=O)NCC
    (=O)O)C(C(=O)O)N    		 D-GAMMA-GLUTAMYL-L-CYSTEINYLGLYCINE
    21557
    GSX
    CHEMBL220171
    ZINC000014965148    		 1 C19 H22 Cl N3 O5 S3 InChI=1S/C19H22ClN3O5S3/c
    1-12(18(24)22-8-10-28-11-
    9-22)23-7-6-13(19(23)25)2
    1-31(26,27)17-5-3-15(30-1
    7)14-2-4-16(20)29-14/h2-5
    ,12-13,21H,6-11H2,1H3/t12
    -,13-/m0/s1;
    NAHOZYBRUMVDSR-STQMWFEESA-N    		 Clc4sc(c1sc(cc1)S(=O)(=O)NC3C(=O)N(C(C(=
    O)N2CCOCC2)C)CC3)cc4; C[C@@H](C(=O)N1CCO
    CC1)N2CC[C@@H](C2=O)NS(=O)(=O)c3ccc(s3)c
    4ccc(s4)Cl; C[CH](N1CC[CH](N[S](=O)(=O)c
    2sc(cc2)c3sc(Cl)cc3)C1=O)C(=O)N4CCOCC4;
    C[C@H](N1CC[C@H](N[S](=O)(=O)c2sc(cc2)c3
    sc(Cl)cc3)C1=O)C(=O)N4CCOCC4; CC(C(=O)N1
    CCOCC1)N2CCC(C2=O)NS(=O)(=O)c3ccc(s3)c4c
    cc(s4)Cl    		 5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-2-MORPHOLIN-4-YL-2-OXOETHYL]-2-OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-5-SULFONAMIDE
    21558
    GSY
    ZINC000098208970    		 4 C7 H9 N5 O2 S InChI=1S/C7H9N5O2S/c8-6-9
    -4-3(5(14)11-6)12(1-2-13)
    7(15)10-4/h13H,1-2H2,(H4,
    8,9,10,11,14,15);
    OYFBJNRCXXDVIZ-UHFFFAOYSA-N    		 C(CO)n1c2c(nc1S)N=C(NC2=O)N; NC1=Nc2nc(S
    )n(CCO)c2C(=O)N1; O=C1c2c(N=C(N1)N)nc(S)
    n2CCO    		 7-(2-HYDROXYETHYL)-8-MERCAPTOGUANINE
    21559
    GSZ
    ZINC000103543715    		 2 C20 H28 N3 O4 InChI=1S/C20H27N3O4/c1-12
    (2)20(27)22-16-18(26)17(2
    5)15(11-24)23-10-14(21-19
    (16)23)9-8-13-6-4-3-5-7-1
    3/h3-7,10,12,15-18,24-26H
    ,8-9,11H2,1-2H3,(H,22,27)
    /p+1/t15-,16-,17-,18-/m1/
    s1;
    YCPLHXLUOSXDJD-BRSBDYLESA-O    		 CC(C)C(=O)NC1c2[nH]c(c[n+]2C(C(C1O)O)CO)
    CCc3ccccc3; CC(C)C(=O)N[CH]1[CH](O)[CH](
    O)[CH](CO)[n+]2cc(CCc3ccccc3)[nH]c12; O=
    C(NC3c1[n+](cc(n1)CCc2ccccc2)C(C(O)C3O)C
    O)C(C)C; CC(C)C(=O)N[C@@H]1[C@@H](O)[C@H
    ](O)[C@@H](CO)[n+]2cc(CCc3ccccc3)[nH]c12
    ; CC(C)C(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H](
    [C@H]([C@@H]1O)O)CO)CCc3ccccc3    		 N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE
    21560
    GT0
    CHEMBL1076875
    ZINC000011535715    		 4 C9 H13 N O3 InChI=1S/C9H13NO3/c1-6-9(
    12)8(5-13-2)7(4-11)3-10-6
    /h3,11-12H,4-5H2,1-2H3;
    SVINQHQHARVZFF-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)CO)COC)O; COCc1c(O)c(C)ncc1
    CO; Oc1c(c(cnc1C)CO)COC    		 5-(hydroxymethyl)-4-(methoxymethyl)-2-methylpyridin-3-ol;
    ginkgotoxin
    21561
    GT1
    CHEMBL1086597
    ZINC000049113213    		 2 C9 H14 N O6 P InChI=1S/C9H14NO6P/c1-6-9
    (11)8(5-15-2)7(3-10-6)4-1
    6-17(12,13)14/h3,11H,4-5H
    2,1-2H3,(H2,12,13,14);
    RFYDYCIMPLKICN-UHFFFAOYSA-N    		 COCc1c(O)c(C)ncc1CO[P](O)(O)=O; Cc1c(c(c
    (cn1)COP(=O)(O)O)COC)O; O=P(O)(O)OCc1cnc
    (c(O)c1COC)C    		 [5-hydroxy-4-(methoxymethyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate;
    ginkgotoxin, phosphorylated
    21562
    GT2
    CHEMBL3797232
    ZINC000653848799    		 4 C14 H9 Cl3 N2 O3 InChI=1S/C14H9Cl3N2O3/c15
    -8-2-3-9(11(17)6-8)14(21)
    18-12-5-7(13(20)19-22)1-4
    -10(12)16/h1-6,22H,(H,18,
    21)(H,19,20);
    UYUPOQDZJBPUTQ-UHFFFAOYSA-N    		 c1cc(c(cc1C(=O)NO)NC(=O)c2ccc(cc2Cl)Cl)C
    l; ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2C
    l)c1    		 4-chloranyl-3-[(2,4-dichlorophenyl)carbonylamino]-~{N}-oxidanyl-benzamide
    21563
    GT3    		 0 C11 H16 N6 O4 InChI=1S/C11H16N6O4/c1-5(
    19)6(3-18)14-7(20)2-17-4-
    13-8-9(17)15-11(12)16-10(
    8)21/h4-6,18-19H,2-3H2,1H
    3,(H,14,20)(H3,12,15,16,2
    1)/t5-,6-/m1/s1;
    ASZZNRVPFUUWEN-PHDIDXHHSA-N    		 CC(C(CO)NC(=O)Cn1cnc2c1N=C(NC2=O)N)O; C[
    C@H]([C@@H](CO)NC(=O)Cn1cnc2c1N=C(NC2=O)
    N)O; C[CH](O)[CH](CO)NC(=O)Cn1cnc2C(=O)N
    C(=Nc12)N; C[C@@H](O)[C@@H](CO)NC(=O)Cn1
    cnc2C(=O)NC(=Nc12)N    		 2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[(2R,3R)-1,3-bis(oxidanyl)butan-2-yl]ethanamide
    21564
    GT4
    ZINC000000363785    		 7 C9 H11 N O3 InChI=1S/C9H11NO3/c1-13-6
    -9(12)10-7-2-4-8(11)5-3-7
    /h2-5,11H,6H2,1H3,(H,10,1
    2);
    NSZUGQROUUTGGI-UHFFFAOYSA-N    		 COCC(=O)Nc1ccc(cc1)O; COCC(=O)Nc1ccc(O)c
    c1    		 ~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide
    21565
    GT5    		 23 C27 H41 N5 O6 S2 InChI=1S/C27H41N5O6S2/c1-
    17(2)12-22(31-27(35)24-15
    -29-18(3)39-24)25(33)32-2
    3(16-38-4)26(34)30-21(10-
    11-40(5,36)37)13-19-6-8-2
    0(14-28)9-7-19/h6-9,15,17
    ,21-23H,10-14,16,28H2,1-5
    H3,(H,30,34)(H,31,35)(H,3
    2,33)/t21-,22+,23+/m1/s1;
    FURWAZMEXWNXHC-VJBWXMMDSA-N    		 COC[CH](NC(=O)[CH](CC(C)C)NC(=O)c1sc(C)n
    c1)C(=O)N[CH](CC[S](C)(=O)=O)Cc2ccc(CN)c
    c2; Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N
    [C@@H](COC)C(=O)N[C@H](CCS(=O)(=O)C)Cc2c
    cc(cc2)CN; Cc1ncc(s1)C(=O)NC(CC(C)C)C(=O
    )NC(COC)C(=O)NC(CCS(=O)(=O)C)Cc2ccc(cc2)
    CN; COC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1
    sc(C)nc1)C(=O)N[C@H](CC[S](C)(=O)=O)Cc2c
    cc(CN)cc2
    21566
    GT6
    CHEMBL3039522
    DB11782
    ZINC000096941868    		 2 C42 H56 F2 N8 O6 InChI=1S/C42H56F2N8O6/c1-
    7-33(49-39(55)21(3)45-5)4
    1(57)51-19-27(53)15-25(51
    )17-31-29-11-9-23(43)13-3
    5(29)47-37(31)38-32(30-12
    -10-24(44)14-36(30)48-38)
    18-26-16-28(54)20-52(26)4
    2(58)34(8-2)50-40(56)22(4
    )46-6/h9-14,21-22,25-28,3
    3-34,45-48,53-54H,7-8,15-
    20H2,1-6H3,(H,49,55)(H,50
    ,56)/t21-,22-,25-,26-,27-
    ,28-,33-,34-/m0/s1;
    PKWRMUKBEYJEIX-DXXQBUJASA-N    		 O=C(N6C(Cc5c1ccc(F)cc1nc5c3c(c2ccc(F)cc2
    n3)CC4N(C(=O)C(NC(=O)C(NC)C)CC)CC(O)C4)C
    C(O)C6)C(NC(=O)C(NC)C)CC; CC[C@H](NC(=O)
    [C@H](C)NC)C(=O)N1C[C@@H](O)C[C@H]1Cc2c(
    [nH]c3cc(F)ccc23)c4[nH]c5cc(F)ccc5c4C[C@
    @H]6C[C@H](O)CN6C(=O)[C@H](CC)NC(=O)[C@H
    ](C)NC; CC[CH](NC(=O)[CH](C)NC)C(=O)N1C[
    CH](O)C[CH]1Cc2c([nH]c3cc(F)ccc23)c4[nH]
    c5cc(F)ccc5c4C[CH]6C[CH](O)CN6C(=O)[CH](
    CC)NC(=O)[CH](C)NC; CCC(C(=O)N1CC(CC1Cc2
    c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)CC6C
    C(CN6C(=O)C(CC)NC(=O)C(C)NC)O)F)O)NC(=O)
    C(C)NC; CC[C@@H](C(=O)N1C[C@H](C[C@H]1Cc
    2c3ccc(cc3[nH]c2c4c(c5ccc(cc5[nH]4)F)C[C
    @@H]6C[C@@H](CN6C(=O)[C@H](CC)NC(=O)[C@H
    ](C)NC)O)F)O)NC(=O)[C@H](C)NC    		 (2S,2'S)-N,N'-[(6,6'-difluoro-1H,1'H-2,2'-biindole-3,3'-diyl)bis{methanediyl[(2R,4S)-4-hydroxypyrrolidine-2,1-diyl][(2S)-1-oxobutane-1,2-diyl]}]bis[2-(methylamino)propanamide]
    21567
    GT7
    ZINC000000091989    		 2 C9 H14 N2 O InChI=1S/C9H14N2O/c10-7-6
    -9(12)11-8-4-2-1-3-5-8/h8
    H,1-6H2,(H,11,12);
    RURWLUVLDBYUEN-UHFFFAOYSA-N    		 C1CCC(CC1)NC(=O)CC#N; O=C(CC#N)NC1CCCCC1 2-cyano-~{N}-cyclohexyl-ethanamide
    21568
    GT8    		 13 C32 H52 N4 O7 InChI=1S/C32H52N4O7/c1-22
    (33-28(37)21-36-16-18-43-
    19-17-36)30(39)35-27(20-2
    4-10-13-25(42-4)14-11-24)
    31(40)34-26(29(38)32(2,3)
    41)15-12-23-8-6-5-7-9-23/
    h10-11,13-14,22-23,26-27,
    29,38,41H,5-9,12,15-21H2,
    1-4H3,(H,33,37)(H,34,40)(
    H,35,39)/t22-,26-,27-,29+
    /m0/s1;
    NHSACZPZCKLMNP-WDDJKNHOSA-N    		 CC(C(=O)NC(Cc1ccc(cc1)OC)C(=O)NC(CCC2CCC
    CC2)C(C(C)(C)O)O)NC(=O)CN3CCOCC3; C[C@@H
    ](C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)N[C@@H
    ](CCC2CCCCC2)[C@H](C(C)(C)O)O)NC(=O)CN3C
    COCC3; COc1ccc(C[CH](NC(=O)[CH](C)NC(=O)
    CN2CCOCC2)C(=O)N[CH](CCC3CCCCC3)[CH](O)C
    (C)(C)O)cc1; COc1ccc(C[C@H](NC(=O)[C@H](
    C)NC(=O)CN2CCOCC2)C(=O)N[C@@H](CCC3CCCCC
    3)[C@@H](O)C(C)(C)O)cc1    		 (2~{S})-~{N}-[(3~{S},4~{R})-1-cyclohexyl-5-methyl-4,5-bis(oxidanyl)hexan-3-yl]-3-(4-methoxyphenyl)-2-[[(2~{S})-2-(2-morpholin-4-ylethanoylamino)propanoyl]amino]propanamide
    21569
    GT9
    DB07849    		 0 C12 H25 N O2 S InChI=1S/C12H25NO2S/c1-2-
    3-4-5-6-7-8-9-16-10-11(13
    )12(14)15/h11H,2-10,13H2,
    1H3,(H,14,15)/t11-/m0/s1;
    NYQGIUKEPYHDNY-NSHDSACASA-N    		 CCCCCCCCCSCC(C(=O)O)N; O=C(O)C(N)CSCCCCC
    CCCC; CCCCCCCCCSC[C@@H](C(=O)O)N; CCCCCC
    CCCSC[CH](N)C(O)=O; CCCCCCCCCSC[C@H](N)C
    (O)=O    		 S-NONYL-CYSTEINE
    21570
    GTA
    DB01649
    ZINC000096006025    		 56 C21 H30 N10 O17 P3 InChI=1S/C21H29N10O17P3/c
    1-29-6-31(17-10(29)18(36)
    28-21(23)27-17)20-14(35)1
    2(33)8(46-20)3-44-50(39,4
    0)48-51(41,42)47-49(37,38
    )43-2-7-11(32)13(34)19(45
    -7)30-5-26-9-15(22)24-4-2
    5-16(9)30/h4-8,11-14,19-2
    0,32-35H,2-3H2,1H3,(H7-,2
    2,23,24,25,27,28,36,37,38
    ,39,40,41,42)/p+1/t7-,8-,
    11-,12-,13-,14-,19-,20-/m
    1/s1;
    QQOHNVHGNZYSBP-XPWFQUROSA-O    		 C[n+]1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CO
    P(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n
    5cnc6c5ncnc6N)O)O)O)O; C[n+]1cn(c2c1C(=O
    )NC(=N2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)C
    O[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O
    C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5nc
    nc6N)O)O)O)O; C[n+]1cn([C@@H]2O[C@H](CO[
    P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H
    ]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc
    45)[C@@H](O)[C@H]2O)c6N=C(N)NC(=O)c16; C
    [n+]1cn([CH]2O[CH](CO[P](O)(=O)O[P](O)(=
    O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)
    n4cnc5c(N)ncnc45)[CH](O)[CH]2O)c6N=C(N)N
    C(=O)c16; O=C1NC(=Nc2c1[n+](cn2C3OC(C(O)
    C3O)COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC6OC(n
    5cnc4c(ncnc45)N)C(O)C6O)C)N    		 P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE;
    7-METHYL-GPPPA
    21571
    GTB
    DB03686
    ZINC000003874914    		 35 C17 H22 N4 O8 S InChI=1S/C17H22N4O8S/c18-
    12(17(26)27)5-6-14(22)20-
    13(16(25)19-7-15(23)24)9-
    30-8-10-1-3-11(4-2-10)21(
    28)29/h1-4,12-13H,5-9,18H
    2,(H,19,25)(H,20,22)(H,23
    ,24)(H,26,27)/t12-,13-/m0
    /s1;
    OAWORKDPTSAMBZ-STQMWFEESA-N    		 c1cc(ccc1CSC[C@@H](C(=O)NCC(=O)O)NC(=O)C
    C[C@@H](C(=O)O)N)[N+](=O)[O-]; O=[N+]([O
    -])c1ccc(cc1)CSCC(C(=O)NCC(=O)O)NC(=O)CC
    C(C(=O)O)N; c1cc(ccc1CSCC(C(=O)NCC(=O)O)
    NC(=O)CCC(C(=O)O)N)[N+](=O)[O-]; N[CH](C
    CC(=O)N[CH](CSCc1ccc(cc1)[N+]([O-])=O)C(
    =O)NCC(O)=O)C(O)=O; N[C@@H](CCC(=O)N[C@@
    H](CSCc1ccc(cc1)[N+]([O-])=O)C(=O)NCC(O)
    =O)C(O)=O    		 S-(P-NITROBENZYL)GLUTATHIONE
    21572
    GTC
    DB07850
    ZINC000005816947    		 5 C9 H13 N3 O2 S InChI=1S/C9H13N3O2S/c13-8
    (14)6-4-2-1-3-5(6)7-10-9(
    15)12-11-7/h5-6H,1-4H2,(H
    ,13,14)(H2,10,11,12,15)/t
    5-,6+/m0/s1;
    DYLXWYPNDHPRPQ-NTSWFWBYSA-N    		 S=C1NC(=NN1)C2CCCCC2C(=O)O; OC(=O)[CH]1C
    CCC[CH]1C2=NNC(=S)N2; C1CCC(C(C1)C2=NNC(
    =S)N2)C(=O)O; OC(=O)[C@@H]1CCCC[C@@H]1C2
    =NNC(=S)N2; C1CC[C@H]([C@H](C1)C2=NNC(=S
    )N2)C(=O)O    		 (1R,2S)-2-(5-thioxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)cyclohexanecarboxylic acid
    21573
    GTD    		 13 C16 H20 N6 O12 S InChI=1S/C16H20N6O12S/c17
    -8(16(27)28)1-2-12(23)19-
    9(15(26)18-5-13(24)25)6-3
    5-14-10(21(31)32)3-7(20(2
    9)30)4-11(14)22(33)34/h3-
    4,7-9,14H,1-2,5-6,17H2,(H
    ,18,26)(H,19,23)(H,24,25)
    (H,27,28)/t7-,8-,9-,14+/m
    0/s1;
    VQUXYLXGOSJDJJ-OSGJSWLFSA-N    		 O=[N+]([O-])C1=CC([N+]([O-])=O)C=C([N+](
    [O-])=O)C1SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(
    =O)O)N; N[C@@H](CCC(=O)N[C@@H](CS[C@@H]1
    C(=C[C@@H](C=C1[N+]([O-])=O)[N+]([O-])=O
    )[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O; C1=C
    (C(C(=CC1[N+](=O)[O-])[N+](=O)[O-])SCC(C
    (=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)[N+](=O)
    [O-]; N[CH](CCC(=O)N[CH](CS[CH]1C(=C[CH]
    (C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-]
    )=O)C(=O)NCC(O)=O)C(O)=O; C1=C(C(C(=CC1[
    N+](=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)N
    CC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)
    [O-]    		 1-(S-GLUTATHIONYL)-2,4,6-TRINITROCYCLOHEXA-2,5-DIENE;
    (S)-2-AMINO-5-((R)-1-(CARBOXYMETHYLAMINO)-1-OXO-3-(2,4,6-TRINITROCYCLOHEXA-2,5-DIENYLTHIO)PROPAN-2-YLAMINO)-5-OXOPENTANOIC ACID
    21574
    GTE    		 0 H O InChI=1/H2O/h1H2;
    XLYOFNOQVPJJNP-UHFFFAOYAF    		 O; [OH] GLUCOSE 4-O4 GROUP
    21575
    GTF
    CHEMBL1201383
    ZINC000013546270    		 26 C9 H14 F2 N3 O13 P3 InChI=1S/C9H14F2N3O13P3/c
    10-9(11)6(15)4(25-7(9)14-
    2-1-5(12)13-8(14)16)3-24-
    29(20,21)27-30(22,23)26-2
    8(17,18)19/h1-2,4,6-7,15H
    ,3H2,(H,20,21)(H,22,23)(H
    2,12,13,16)(H2,17,18,19)/
    t4-,6-,7-/m1/s1;
    YMOXEIOKAJSRQX-QPPQHZFASA-N    		 NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(
    =O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)C2(F
    )F; FC2(F)C(N1C(=O)N=C(N)C=C1)OC(C2O)COP
    (OP(O)(=O)OP(O)(O)=O)(O)=O; C1=CN(C(=O)N
    =C1N)[C@H]2C([C@@H]([C@H](O2)COP(=O)(O)O
    P(=O)(O)OP(=O)(O)O)O)(F)F; C1=CN(C(=O)N=
    C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)
    (O)O)O)(F)F; NC1=NC(=O)N(C=C1)[CH]2O[CH]
    (CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH
    ](O)C2(F)F    		 2'-deoxy-2',2'-difluorocytidine 5'-(tetrahydrogen triphosphate);
    Gemcitabine-TRIPHOSPHATE
    21576
    GTG
    DB03958
    ZINC000085547903    		 29 C21 H30 N10 O18 P3 InChI=1S/C21H29N10O18P3/c
    1-29-5-31(15-9(29)17(37)2
    8-21(23)26-15)19-13(35)11
    (33)7(47-19)3-45-51(40,41
    )49-52(42,43)48-50(38,39)
    44-2-6-10(32)12(34)18(46-
    6)30-4-24-8-14(30)25-20(2
    2)27-16(8)36/h4-7,10-13,1
    8-19,32-35H,2-3H2,1H3,(H8
    -,22,23,25,26,27,28,36,37
    ,38,39,40,41,42,43)/p+1/t
    6-,7-,10-,11-,12-,13-,18-
    ,19-/m1/s1;
    FHHZHGZBHYYWTG-INFSMZHSSA-O    		 C[n+]1cn([C@@H]2O[C@H](CO[P](O)(=O)O[P](
    O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)
    [C@@H]3O)n4cnc5C(=O)NC(=Nc45)N)[C@@H](O)
    [C@H]2O)c6N=C(N)NC(=O)c16; C[n+]1cn([CH]
    2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O
    )OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5C(=O)N
    C(=Nc45)N)[CH](O)[CH]2O)c6N=C(N)NC(=O)c1
    6; C[n+]1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@
    H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OP(=O)(
    O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H
    ](O4)n5cnc6c5N=C(NC6=O)N)O)O)O)O; O=C1NC
    (=Nc2c1[n+](cn2C3OC(C(O)C3O)COP(=O)(O)OP
    (=O)(O)OP(=O)(O)OCC6OC(n5cnc4c5N=C(N)NC4
    =O)C(O)C6O)C)N; C[n+]1cn(c2c1C(=O)NC(=N2
    )N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(
    O)OCC4C(C(C(O4)n5cnc6c5N=C(NC6=O)N)O)O)O
    )O    		 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE;
    MRNA CAP ANALOG N7-METHYL GPPPG
    21577
    GTH    		 0 C18 H32 N2 O13 InChI=1S/C18H32N2O13/c1-5
    (9(19)16(28)29)30-17-10(2
    0-6(2)23)15(12(25)8(4-22)
    31-17)33-18-14(27)13(26)1
    1(24)7(3-21)32-18/h5,7-15
    ,17-18,21-22,24-27H,3-4,1
    9H2,1-2H3,(H,20,23)(H,28,
    29)/t5-,7-,8-,9+,10-,11+,
    12+,13+,14-,15-,17-,18+/m
    1/s1;
    VWNOCGQJSBAAFO-KPCFJFNASA-N    		 O=C(O)C(N)C(OC2OC(C(O)C(OC1OC(C(O)C(O)C1
    O)CO)C2NC(=O)C)CO)C; CC(C(C(=O)O)N)OC1C(
    C(C(C(O1)CO)O)OC2C(C(C(C(O2)CO)O)O)O)NC(
    =O)C; C[C@H]([C@@H](C(=O)O)N)O[C@H]1[C@@
    H]([C@H]([C@H]([C@H](O1)CO)O)O[C@H]2[C@@
    H]([C@H]([C@H]([C@H](O2)CO)O)O)O)NC(=O)C
    ; C[CH](O[CH]1O[CH](CO)[CH](O)[CH](O[CH]
    2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH]1NC(C
    )=O)[CH](N)C(O)=O; C[C@@H](O[C@@H]1O[C@H
    ](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@
    H](O)[C@H](O)[C@H]2O)[C@H]1NC(C)=O)[C@H]
    (N)C(O)=O    		 3-O-GLUCOPYRANOSYL-THREONINE-[2-DEOXY-2-ACETAMIDO-GLUCOPYRANOSIDE];
    GLYCOSYLATED THREONINE
    21578
    GTI
    CHEMBL3596389
    ZINC000000117404    		 4 C12 H14 N4 S InChI=1S/C12H14N4S/c1-2-4
    -10(5-3-1)11-14-12(17-15-
    11)16-8-6-13-7-9-16/h1-5,
    13H,6-9H2;
    UMFMHSLRNJBGKO-UHFFFAOYSA-N    		 c1ccc(cc1)c2nc(sn2)N3CCNCC3; C1CN(CCN1)c
    2snc(n2)c3ccccc3; n1c(snc1c2ccccc2)N3CCN
    CC3    		 1-(3-phenyl-1,2,4-thiadiazol-5-yl)piperazine
    21579
    GTJ
    ZINC000000274846    		 1 C13 H17 N3 O InChI=1S/C13H17N3O/c1-3-9
    -16-11-8-6-5-7-10(11)14-1
    3(16)15-12(17)4-2/h5-8H,3
    -4,9H2,1-2H3,(H,14,15,17);
    KFQGOQCGYCFOQG-UHFFFAOYSA-N    		 CCCn1c2ccccc2nc1NC(=O)CC; CCCn1c(NC(=O)C
    C)nc2ccccc12    		 ~{N}-(1-propylbenzimidazol-2-yl)propanamide
    21580
    GTK    		 1 C6 H10 O7 InChI=1S/C6H10O7/c7-1-2(8
    )6(12)13-4(1)3(9)5(10)11/
    h1-4,6-9,12H,(H,10,11)/t1
    -,2-,3+,4-,6-/m1/s1;
    OEVWLAOZEALENB-ORELYVPDSA-N    		 O=C(O)C(O)C1OC(O)C(O)C1O; [C@H]1([C@H]([
    C@@H](O[C@H]1[C@@H](C(=O)O)O)O)O)O; O[CH
    ]1O[CH]([CH](O)[CH]1O)[CH](O)C(O)=O; O[C
    @@H]1O[C@H]([C@H](O)[C@H]1O)[C@H](O)C(O)
    =O; C1(C(C(OC1C(C(=O)O)O)O)O)O    		 beta-D-galactofuranuronic acid;
    beta-D-galacturonic acid;
    D-galacturonic acid;
    galacturonic acid
    21581
    GTL
    DB02525    		 4 C6 H12 N2 O5 InChI=1S/C6H12N2O5/c9-1-2
    -3(10)4(11)5(12)6(7-2)8-1
    3/h2-5,9-13H,1H2,(H,7,8)/
    t2-,3+,4+,5-/m1/s1;
    VBXHGXTYZGYTQG-MGCNEYSASA-N    		 OC[C@H]1NC(=N\O)/[C@H](O)[C@@H](O)[C@H]1
    O; C([C@@H]1[C@@H]([C@@H]([C@H](C(=NO)N1
    )O)O)O)O; C(C1C(C(C(C(=NO)N1)O)O)O)O; OC
    [CH]1NC(=NO)[CH](O)[CH](O)[CH]1O; OC1C(O
    )C(O)C(=N\O)\NC1CO    		 (2E,3R,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)-2-PIPERIDINONE;
    D-GALACTOHYDROXIMO-1,5-LACTAM
    21582
    GTM
    DB01648
    ZINC000005888013    		 4 C7 H14 O5 S InChI=1S/C7H14O5S/c1-11-7
    -5(10)4(9)6(13)3(2-8)12-7
    /h3-10,13H,2H2,1H3/t3-,4-
    ,5-,6-,7-/m1/s1;
    PFROTWRHYMLGHR-NYMZXIIRSA-N    		 COC1C(C(C(C(O1)CO)S)O)O; CO[C@H]1[C@@H](
    [C@H]([C@@H]([C@H](O1)CO)S)O)O; CO[CH]1O
    [CH](CO)[CH](S)[CH](O)[CH]1O; CO[C@@H]1O
    [C@H](CO)[C@@H](S)[C@H](O)[C@H]1O; OC1C(
    O)C(S)C(OC1OC)CO    		 methyl 4-thio-beta-D-glucopyranoside;
    O1-METHYL-4-DEOXY-4-THIO-BETA-D-GLUCOSE;
    methyl 4-thio-beta-D-glucoside;
    methyl 4-thio-D-glucoside;
    methyl 4-thio-glucoside
    21583
    GTN    		 0 C10 H17 N6 O13 P3 InChI=1/C10H17N6O13P3/c11
    -10-13-7-4(8(19)14-10)12-
    2-16(7)9-6(18)5(17)3(28-9
    )1-27-32(25,26)29-31(23,2
    4)15-30(20,21)22/h2-3,5-6
    ,9,17-18H,1H2,(H,25,26)(H
    3,11,13,14,19)(H4,15,20,2
    1,22,23,24)/t3-,5-,6-,9-/
    m1/s1/f/h14-15,20-21,23,2
    5H,11H2;
    UQABYHGXWYXDTK-SADWDOFADT    		 O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1
    c2N=C(N)NC1=O)C(O)C3O; c1nc2c(n1[C@H]3[C
    @@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@]
    (=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N; c1nc2
    c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O
    )O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)
    N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)
    (=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O; NC1=N
    c2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O
    [P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O    		 PHOSPHOAMINOPHOSPHONIC ACID GUANYLATE ESTER
    21584
    GTO    		 0 C11 H18 N5 O13 P3 InChI=1/C11H18N5O13P3/c12
    -11-14-8-5(9(19)15-11)13-
    2-16(8)10-7(18)6(17)4(28-
    10)1-27-32(25,26)29-31(23
    ,24)3-30(20,21)22/h2,4,6-
    7,10,17-18H,1,3H2,(H,23,2
    4)(H,25,26)(H2,20,21,22)(
    H3,12,14,15,19)/t4-,6-,7-
    ,10-/m1/s1/f/h15,20-21,23
    ,25H,12H2;
    PHBDHXOBFUBCJD-KWPOQKRIDJ    		 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    [P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N
    =C(NC2=O)N; c1nc2c(n1C3C(C(C(O3)COP(=O)(
    O)OP(=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N; N
    C1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(
    =O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
    ; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[
    P@@](O)(=O)O[P@@](O)(=O)C[P](O)(O)=O)[C@
    @H](O)[C@H]3O; O=P(O)(O)CP(=O)(O)OP(=O)(
    O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O    		 PHOSPHOMETHYLPHOSPHONIC ACID-GUANYLATE ESTER
    21585
    GTP
    CHEMBL1233147
    DB04137
    ZINC000060094177    		 7154 C10 H16 N5 O14 P3 InChI=1S/C10H16N5O14P3/c1
    1-10-13-7-4(8(18)14-10)12
    -2-15(7)9-6(17)5(16)3(27-
    9)1-26-31(22,23)29-32(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)/t3-,5-,6-,9-
    /m1/s1;
    XKMLYUALXHKNFT-UUOKFMHZSA-N    		 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    [P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=
    C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O
    [C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=
    O)[C@@H](O)[C@H]3O; NC1=Nc2n(cnc2C(=O)N1
    )[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](
    O)(O)=O)[CH](O)[CH]3O; c1nc2c(n1C3C(C(C(
    O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C
    (NC2=O)N; O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC
    3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O    		 GUANOSINE-5'-TRIPHOSPHATE
    21586
    GTQ
    CHEMBL1461
    ZINC000000001507    		 12 C7 H6 O4 InChI=1S/C7H6O4/c8-4-1-2-
    6(9)5(3-4)7(10)11/h1-3,8-
    9H,(H,10,11);
    WXTMDXOMEHJXQO-UHFFFAOYSA-N    		 O=C(O)c1cc(O)ccc1O; c1cc(c(cc1O)C(=O)O)O
    ; OC(=O)c1cc(O)ccc1O    		 2,5-dihydroxybenzoic acid
    21587
    GTR
    DB03652
    ZINC000004097542    		 37 C6 H10 O7 InChI=1S/C6H10O7/c7-1-2(8
    )4(5(10)11)13-6(12)3(1)9/
    h1-4,6-9,12H,(H,10,11)/t1
    -,2+,3+,4-,6+/m0/s1;
    AEMOLEFTQBMNLQ-DTEWXJGMSA-N    		 [C@@H]1([C@H]([C@H](O[C@H]([C@@H]1O)O)C(
    =O)O)O)O; C1(C(C(C(C(C(=O)O)O1)O)O)O)O;
    O[C@@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)
    C(O)=O; C1(C(C(OC(C1O)O)C(=O)O)O)O; O[CH
    ]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O    		 beta-D-galactopyranuronic acid;
    beta-D-galacturonic acid;
    D-galacturonic acid;
    galacturonic acid
    21588
    GTS
    DB03003
    ZINC000001616624    		 44 C10 H17 N3 O9 S InChI=1S/C10H17N3O9S/c11-
    5(10(18)19)1-2-7(14)13-6(
    4-23(20,21)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)/t5-,
    6-/m0/s1;
    QGWRMTHFAZVWAM-WDSKDSINSA-N    		 C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C
    (=O)O)N; N[CH](CCC(=O)N[CH](C[S](O)(=O)=
    O)C(=O)NCC(O)=O)C(O)=O; C(CC(=O)N[C@@H](
    CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)
    N; N[C@@H](CCC(=O)N[C@@H](C[S](O)(=O)=O)
    C(=O)NCC(O)=O)C(O)=O; O=C(NC(C(=O)NCC(=O
    )O)CS(=O)(=O)O)CCC(C(=O)O)N    		 GLUTATHIONE SULFONIC ACID
    21589
    GTT    		 0 C10 H18 N3 O6 S InChI=1S/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,12,17)
    (H,13,14)(H,15,16)(H,18,1
    9)/p+1/t5-,6-/m0/s1;
    RWSXRVCMGQZWBV-WDSKDSINSA-O    		 [NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(
    O)=O)C(O)=O; C(CC(=O)N[C@@H](CS)C(=O)NCC
    (=O)O)[C@@H](C(=O)O)[NH3+]; [NH3+][CH](C
    CC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O; O=C
    (NCC(=O)O)C(NC(=O)CCC(C(=O)O)[NH3+])CS;
    C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)[NH
    3+]    		 GLUTATHIONE
    21590
    GTU
    CHEMBL4852444    		 1 C20 H16 F N5 O2 InChI=1S/C20H16FN5O2/c1-2
    -7-20(8-9-28-19(23)26-20)
    15-10-14(4-5-16(15)21)25-
    18(27)17-6-3-13(11-22)12-
    24-17/h3-6,10,12H,8-9H2,1
    H3,(H2,23,26)(H,25,27)/t2
    0-/m0/s1;
    DWCWSXLKLMTBSD-FQEVSTJZSA-N    		 CC#CC1(CCOC(=N1)N)c2cc(ccc2F)NC(=O)c3ccc
    (cn3)C#N; CC#C[C@]1(CCOC(=N1)N)c2cc(ccc2
    F)NC(=O)c3ccc(cn3)C#N; CC#C[C]1(CCOC(=N1
    )N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F; CC#C[
    C@]1(CCOC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N
    )ccc2F    		 N-[3-[(4R)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide
    21591
    GTV
    CHEMBL4545793
    ZINC000020760687    		 4 C12 H13 O5 P InChI=1S/C12H13O5P/c1-7-3
    -8(2)12-9(6-18(14,15)16)5
    -11(13)17-10(12)4-7/h3-5H
    ,6H2,1-2H3,(H2,14,15,16);
    APYPWKQCSUQQTA-UHFFFAOYSA-N    		 Cc1cc(C)c2C(=CC(=O)Oc2c1)C[P](O)(O)=O; C
    c2cc(C)c1C(CP(O)(O)=O)=CC(=O)Oc1c2; Cc1c
    c(c2c(c1)OC(=O)C=C2CP(=O)(O)O)C    		 [(5,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
    21592
    GTW    		 24 C32 H49 N5 O5 S2 InChI=1S/C32H49N5O5S2/c1-
    21(2)16-27(37-32(40)29-20
    -34-22(3)43-29)31(39)36-2
    8(18-23-8-6-5-7-9-23)30(3
    8)35-26(14-15-44(4,41)42)
    17-24-10-12-25(19-33)13-1
    1-24/h10-13,20-21,23,26-2
    8H,5-9,14-19,33H2,1-4H3,(
    H,35,38)(H,36,39)(H,37,40
    )/t26-,27+,28+/m1/s1;
    ZGJWOTGESBPCTA-PKTNWEFCSA-N    		 Cc1ncc(s1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@
    H](CC2CCCCC2)C(=O)N[C@H](CCS(=O)(=O)C)Cc
    3ccc(cc3)CN; CC(C)C[C@H](NC(=O)c1sc(C)nc
    1)C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@H](CC[
    S](C)(=O)=O)Cc3ccc(CN)cc3; CC(C)C[CH](NC
    (=O)c1sc(C)nc1)C(=O)N[CH](CC2CCCCC2)C(=O
    )N[CH](CC[S](C)(=O)=O)Cc3ccc(CN)cc3; Cc1
    ncc(s1)C(=O)NC(CC(C)C)C(=O)NC(CC2CCCCC2)
    C(=O)NC(CCS(=O)(=O)C)Cc3ccc(cc3)CN
    21593
    GTX    		 107 C16 H30 N3 O6 S InChI=1S/C16H29N3O6S/c1-2
    -3-4-5-8-26-10-12(15(23)1
    8-9-14(21)22)19-13(20)7-6
    -11(17)16(24)25/h11-12H,2
    -10,17H2,1H3,(H,18,23)(H,
    19,20)(H,21,22)(H,24,25)/
    p+1/t11-,12-/m0/s1;
    HXJDWCWJDCOHDG-RYUDHWBXSA-O    		 CCCCCCSC[CH](NC(=O)CC[CH]([NH3+])C(O)=O)
    C(=O)NCC(O)=O; CCCCCCSC[C@H](NC(=O)CC[C@
    H]([NH3+])C(O)=O)C(=O)NCC(O)=O; O=C(O)CN
    C(=O)C(NC(=O)CCC(C(=O)O)[NH3+])CSCCCCCC;
    CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)
    O)[NH3+]; CCCCCCSC[C@@H](C(=O)NCC(=O)O)N
    C(=O)CC[C@@H](C(=O)O)[NH3+]    		 S-HEXYLGLUTATHIONE
    21594
    GTY
    DB03032
    ZINC000008234408    		 1 C18 H33 N3 O6 S InChI=1S/C18H33N3O6S/c1-2
    -3-4-5-6-7-10-28-12-14(17
    (25)20-11-16(23)24)21-15(
    22)9-8-13(19)18(26)27/h13
    -14H,2-12,19H2,1H3,(H,20,
    25)(H,21,22)(H,23,24)(H,2
    6,27)/t13-,14-/m0/s1;
    MJWCZWAVSJZQNL-KBPBESRZSA-N    		 CCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[
    C@@H](C(=O)O)N; CCCCCCCCSC[CH](NC(=O)CC[
    CH](N)C(O)=O)C(=O)NCC(O)=O; O=C(O)C(N)CC
    C(=O)NC(C(=O)NCC(=O)O)CSCCCCCCCC; CCCCCC
    CCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NC
    C(O)=O; CCCCCCCCSCC(C(=O)NCC(=O)O)NC(=O)
    CCC(C(=O)O)N    		 L-GAMMA-GLUTAMYL-S-OCTYL-D-CYSTEINYLGLYCINE;
    S-OCTYLGLUTATHIONE
    21595
    GTZ
    DB02294
    ZINC000033821340    		 8 C6 H10 N4 O4 InChI=1S/C6H10N4O4/c11-1-
    2-3(12)4(13)5(14)6-7-8-9-
    10(2)6/h2-5,11-14H,1H2/t2
    -,3+,4+,5-/m1/s1;
    UCJXQRFJERKPOZ-MGCNEYSASA-N    		 C([C@@H]1[C@@H]([C@@H]([C@H](c2n1nnn2)O)
    O)O)O; n1nnn2c1C(O)C(O)C(O)C2CO; C(C1C(C
    (C(c2n1nnn2)O)O)O)O; OC[CH]1[CH](O)[CH](
    O)[CH](O)c2nnnn12; OC[C@@H]1[C@H](O)[C@H
    ](O)[C@@H](O)c2nnnn12    		 (5R, 6S, 7S, 8S)-5-HYDROXYMETHYL-6,7,8-TRIHYDROXY-TETRAZOLO[1,5-A]PIPERIDINE
    21596
    GU0    		 2 C6 H9 O15 S3 InChI=1S/C6H12O15S3/c7-3-
    2(1-18-22(9,10)11)19-6(8)
    5(21-24(15,16)17)4(3)20-2
    3(12,13)14/h2-8H,1H2,(H,9
    ,10,11)(H,12,13,14)(H,15,
    16,17)/p-3/t2-,3-,4+,5-,6
    -/m1/s1;
    GRHWGVDHRAZFMQ-VFUOTHLCSA-K    		 C(C1C(C(C(C(O1)O)OS(=O)(=O)[O-])OS(=O)(=
    O)[O-])O)OS(=O)(=O)[O-]; O[CH]1O[CH](CO[
    S]([O-])(=O)=O)[CH](O)[CH](O[S]([O-])(=O
    )=O)[CH]1O[S]([O-])(=O)=O; O[C@@H]1O[C@H
    ](CO[S]([O-])(=O)=O)[C@@H](O)[C@H](O[S](
    [O-])(=O)=O)[C@H]1O[S]([O-])(=O)=O; C([C
    @@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)OS(=
    O)(=O)[O-])OS(=O)(=O)[O-])O)OS(=O)(=O)[O
    -]; [O-]S(=O)(=O)OCC1OC(O)C(OS([O-])(=O)
    =O)C(OS([O-])(=O)=O)C1O    		 2,3,6-tri-O-sulfonato-beta-D-glucopyranose;
    2,3,6-tri-O-sulfonato-beta-D-glucose;
    2,3,6-tri-O-sulfonato-D-glucose;
    2,3,6-tri-O-sulfonato-glucose
    21597
    GU1
    ZINC000006483311    		 8 C8 H14 O7 InChI=1S/C8H14O7/c1-13-4-
    3(9)5(7(10)11)15-8(12)6(4
    )14-2/h3-6,8-9,12H,1-2H3,
    (H,10,11)/t3-,4-,5-,6+,8+
    /m0/s1;
    YEGNNGDFCAGXPA-GRJZWZNASA-N    		 CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)=
    O; CO[C@H]1[C@H](O)O[C@@H]([C@@H](O)[C@@
    H]1OC)C(O)=O; O=C(O)C1OC(O)C(OC)C(OC)C1O
    ; COC1C(C(OC(C1OC)O)C(=O)O)O; CO[C@H]1[C
    @@H]([C@H](O[C@H]([C@@H]1OC)O)C(=O)O)O    		 2,3-di-O-methyl-beta-D-glucopyranuronic acid;
    2,3-di-O-methyl-beta-D-glucuronic acid;
    2,3-di-O-methyl-D-glucuronic acid;
    2,3-di-O-methyl-glucuronic acid
    21598
    GU2    		 2 C8 H14 O7 InChI=1S/C8H14O7/c1-13-4-
    3(9)5(7(10)11)15-8(12)6(4
    )14-2/h3-6,8-9,12H,1-2H3,
    (H,10,11)/t3?,4-,5+,6+,8+
    /m0/s1;
    YEGNNGDFCAGXPA-OHZVEFKRSA-N    		 CO[CH]1[CH](O)O[CH]([CH](O)[CH]1OC)C(O)=
    O; O=C(O)C1OC(O)C(OC)C(OC)C1O; COC1C(C(O
    C(C1OC)O)C(=O)O)O; CO[C@H]1[C@H](O)O[C@H
    ]([C@@H](O)[C@@H]1OC)C(O)=O; CO[C@H]1[C@
    @H]([C@@H](O[C@H]([C@@H]1OC)O)C(=O)O)O    		 2,3-di-O-methyl-alpha-L-idopyranuronic acid;
    2,3-di-O-methyl-alpha-L-iduronic acid;
    2,3-di-O-methyl-L-iduronic acid;
    2,3-di-O-methyl-iduronic acid
    21599
    GU3
    ZINC000031976985    		 2 C8 H16 O12 S2 InChI=1S/C8H16O12S2/c1-16
    -6-5(9)4(3-18-21(10,11)12
    )19-8(17-2)7(6)20-22(13,1
    4)15/h4-9H,3H2,1-2H3,(H,1
    0,11,12)(H,13,14,15)/t4-,
    5-,6+,7-,8+/m1/s1;
    GFHCIIGKYHICQU-CBQIKETKSA-N    		 CO[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OS(=
    O)(=O)O)OC)COS(=O)(=O)O)O; CO[CH]1O[CH](
    CO[S](O)(=O)=O)[CH](O)[CH](OC)[CH]1O[S](
    O)(=O)=O; COC1C(C(OC(C1OS(=O)(=O)O)OC)CO
    S(=O)(=O)O)O; O=S(=O)(O)OCC1OC(OC)C(OS(=
    O)(=O)O)C(OC)C1O; CO[C@H]1O[C@H](CO[S](O
    )(=O)=O)[C@@H](O)[C@H](OC)[C@H]1O[S](O)(
    =O)=O    		 methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranoside;
    methyl 3-O-methyl-2,6-di-O-sulfo-alpha-D-glucoside;
    methyl 3-O-methyl-2,6-di-O-sulfo-D-glucoside;
    methyl 3-O-methyl-2,6-di-O-sulfo-glucoside
    21600
    GU4
    ZINC000058632064    		 45 C6 H12 O18 S4 InChI=1S/C6H12O18S4/c7-6-
    5(24-28(17,18)19)4(23-27(
    14,15)16)3(22-26(11,12)13
    )2(21-6)1-20-25(8,9)10/h2
    -7H,1H2,(H,8,9,10)(H,11,1
    2,13)(H,14,15,16)(H,17,18
    ,19)/t2-,3-,4+,5-,6+/m1/s
    1;
    SPIXVQOXHJQNTH-DVKNGEFBSA-N    		 C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS(=O)(=O)O
    )OS(=O)(=O)O)OS(=O)(=O)O; OC1OC(COS(=O)(
    =O)O)C(OS(=O)(=O)O)C(OS(=O)(O)=O)C1OS(=O
    )(=O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@H
    ](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O
    )O)OS(=O)(=O)O; O[CH]1O[CH](CO[S](O)(=O)
    =O)[CH](O[S](O)(=O)=O)[CH](O[S](O)(=O)=O
    )[CH]1O[S](O)(=O)=O; O[C@H]1O[C@H](CO[S]
    (O)(=O)=O)[C@@H](O[S](O)(=O)=O)[C@H](O[S
    ](O)(=O)=O)[C@H]1O[S](O)(=O)=O    		 2,3,4,6-tetra-O-sulfonato-alpha-D-glucopyranose;
    2,3,4,6-tetra-O-sulfonato-alpha-D-glucose;
    2,3,4,6-tetra-O-sulfonato-D-glucose;
    2,3,4,6-tetra-O-sulfonato-glucose
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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