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  • 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 show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    21001 GD0 4 C16 H21 I N2 O2 InChI=1S/C16H21IN2O2/c1-4
    -21-10-13-18-15(17)14(12-
    8-6-5-7-9-12)19(13)11-16(
    2,3)20/h5-9,20H,4,10-11H2
    ,1-3H3;
    XCYMSVIYUJTAPJ-UHFFFAOYSA-N    		 CCOCc1nc(I)c(n1CC(C)(C)O)c2ccccc2; CCOCc
    1nc(c(n1CC(C)(C)O)c2ccccc2)I    		 1-[2-(ethoxymethyl)-4-iodanyl-5-phenyl-imidazol-1-yl]-2-methyl-propan-2-ol
    21002 GD1 36 C7 H7 N5 O InChI=1S/C7H7N5O/c8-1-3-2
    -10-5-4(3)6(13)12-7(9)11-
    5/h1-2,8H,(H4,9,10,11,12,
    13)/b8-1-;
    BETPBINTBSWYLZ-QPIMQUGISA-N    		 O=C1c2c(cnc2N=C(N)N1)C=[N@H]; c1c(c2c([n
    H]1)N=C(NC2=O)N)C=N; NC1=Nc2[nH]cc(C=N)c
    2C(=O)N1; [H]/N=C\c1c[nH]c2c1C(=O)NC(=N2
    )N    		 2-amino-5-[(Z)-iminomethyl]-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one;
    7-cyano-7-deazaguanine, bound form
    21003 GD2 1 C20 H22 N6 O3 InChI=1S/C20H22N6O3/c1-4-
    6-13-10-29-16-9-12(18(21)
    27)8-14-17(16)26(13)20(22
    -14)23-19(28)15-7-11(3)24
    -25(15)5-2/h4,7-9,13H,1,5
    -6,10H2,2-3H3,(H2,21,27)(
    H,22,23,28)/t13-/m0/s1;
    FUJSVEJZTWYXMY-ZDUSSCGKSA-N    		 CCn1c(cc(n1)C)C(=O)Nc2nc3cc(cc4c3n2[C@H]
    (CO4)CC=C)C(=O)N; CCn1c(cc(n1)C)C(=O)Nc2
    nc3cc(cc4c3n2C(CO4)CC=C)C(=O)N; CCn1nc(C
    )cc1C(=O)Nc2nc3cc(cc4OC[CH](CC=C)n2c34)C
    (N)=O; Cc1cc(n(CC)n1)C(=O)Nc1nc2cc(cc3OC
    C(CC=C)n1c32)C(N)=O; CCn1nc(C)cc1C(=O)Nc
    2nc3cc(cc4OC[C@H](CC=C)n2c34)C(N)=O    		 (3S,4S)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4-(prop-2-en-1-yl)-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide
    21004 GD3
    DB14578    		 1 Gd InChI=1S/Gd/q+3;
    RJOJUSXNYCILHH-UHFFFAOYSA-N    		 [Gd+3] GADOLINIUM ION
    21005 GD4
    ZINC000000968276    		 1 C24 H27 N O5 S InChI=1S/C24H27NO5S/c1-13
    -14(2)21-18(15(3)20(13)26
    )9-10-24(4,30-21)12-29-17
    -7-5-16(6-8-17)11-19-22(2
    7)25-23(28)31-19/h5-8,19,
    26H,9-12H2,1-4H3,(H,25,27
    ,28)/t19-,24+/m0/s1;
    GXPHKUHSUJUWKP-YADARESESA-N    		 C1C(Oc2c(C1)c(C)c(O)c(c2C)C)(COc3ccc(cc3
    )CC4SC(NC4=O)=O)C; Cc1c(c2c(c(c1O)C)CCC(
    O2)(C)COc3ccc(cc3)CC4C(=O)NC(=O)S4)C; Cc
    1c(C)c2O[C](C)(CCc2c(C)c1O)COc3ccc(C[CH]
    4SC(=O)NC4=O)cc3; Cc1c(C)c2O[C@](C)(CCc2
    c(C)c1O)COc3ccc(C[C@@H]4SC(=O)NC4=O)cc3;
    Cc1c(c2c(c(c1O)C)CC[C@](O2)(C)COc3ccc(c
    c3)C[C@H]4C(=O)NC(=O)S4)C    		 (5S)-5-[(4-{[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]methoxy}phenyl)methyl]-1,3-thiazolidine-2,4-dione;
    Troglitazone (isoform)
    21006 GD5
    CHEMBL3822543
    ZINC000584905562    		 1 C20 H21 Cl N8 InChI=1S/C20H21ClN8/c1-13
    -16(11-25-29(13)14-5-7-22
    -8-6-14)26-20-24-10-15(21
    )19(27-20)17-12-23-18-4-2
    -3-9-28(17)18/h2-4,9-12,1
    4,22H,5-8H2,1H3,(H,24,26,
    27);
    UMHKPLNSKRNIJU-UHFFFAOYSA-N    		 Cc1n(ncc1Nc2ncc(Cl)c(n2)c3cnc4ccccn34)C5
    CCNCC5; Cc1c(cnn1C2CCNCC2)Nc3ncc(c(n3)c4
    cnc5n4cccc5)Cl    		 5-chloranyl-4-imidazo[1,2-a]pyridin-3-yl-N-(5-methyl-1-piperidin-4-yl-pyrazol-4-yl)pyrimidin-2-amine
    21007 GD7
    DB07821
    ZINC000038494900    		 9 C7 H17 O2 P InChI=1S/C7H17O2P/c1-6(7(
    2,3)4)9-10(5)8/h6,10H,1-5
    H3/t6-/m1/s1;
    QZUGWOMGKDLYKO-ZCFIWIBFSA-N    		 C[C@@H](O[P@H](C)=O)C(C)(C)C; O=P(OC(C)C
    (C)(C)C)C; C[C@H](C(C)(C)C)O[P@@H](=O)C;
    CC(C(C)(C)C)OP(=O)C; C[CH](O[PH](C)=O)C
    (C)(C)C    		 (1R)-1,2,2-TRIMETHYLPROPYL (R)-METHYLPHOSPHINATE
    21008 GD8
    DB07821
    ZINC000038494900    		 4 C7 H17 O2 P InChI=1S/C7H17O2P/c1-6(7(
    2,3)4)9-10(5)8/h6,10H,1-5
    H3/t6-/m1/s1;
    QZUGWOMGKDLYKO-ZCFIWIBFSA-N    		 O=P(OC(C)C(C)(C)C)C; C[C@@H](O[P@@H](C)=
    O)C(C)(C)C; CC(C(C)(C)C)OP(=O)C; C[CH](O
    [PH](C)=O)C(C)(C)C; C[C@H](C(C)(C)C)O[P@
    H](=O)C    		 (1R)-1,2,2-TRIMETHYLPROPYL (S)-METHYLPHOSPHINATE
    21009 GD9
    CHEMBL521851
    DB11663
    ZINC000016052714    		 3 C23 H27 N7 O3 S2 InChI=1S/C23H27N7O3S2/c1-
    35(31,32)30-7-5-28(6-8-30
    )15-16-13-20-21(34-16)23(
    29-9-11-33-12-10-29)26-22
    (25-20)17-3-2-4-19-18(17)
    14-24-27-19/h2-4,13-14H,5
    -12,15H2,1H3,(H,24,27);
    LHNIIDJUOCFXAP-UHFFFAOYSA-N    		 O=S(=O)(N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5ccc
    c4nncc45)N6CCOCC6)C; CS(=O)(=O)N1CCN(CC1
    )Cc2cc3c(s2)c(nc(n3)c4cccc5c4cn[nH]5)N6C
    COCC6; C[S](=O)(=O)N1CCN(CC1)Cc2sc3c(c2)
    nc(nc3N4CCOCC4)c5cccc6[nH]ncc56    		 2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
    21010 GDA 2 C6 H13 N O5 InChI=1S/C6H13NO5/c7-3-2(
    1-8)12-6(11)5(10)4(3)9/h2
    -6,8-11H,1,7H2/t2-,3-,4+,
    5-,6-/m1/s1;
    BXZVZSSSRTUQJP-VFUOTHLCSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)
    O)O)N)O; N[CH]1[CH](O)[CH](O)[CH](O)O[CH
    ]1CO; N[C@H]1[C@H](O)[C@@H](O)[C@H](O)O[
    C@@H]1CO; C(C1C(C(C(C(O1)O)O)O)N)O    		 4-amino-4-deoxy-beta-D-glucopyranose;
    4-amino-4-deoxy-beta-D-glucose;
    4-amino-4-deoxy-D-glucose;
    4-amino-4-deoxy-glucose
    21011 GDB 0 C16 H19 N5 O10 S InChI=1/C16H19N5O10S/c17-
    9(16(26)27)2-4-13(22)19-1
    0(15(25)18-6-14(23)24)7-3
    2-12-3-1-8(20(28)29)5-11(
    12)21(30)31/h1,3,5,9-10H,
    2,4,6-7,17H2,(H,18,25)(H,
    19,22)(H,23,24)(H,26,27)/
    t9-,10-/m0/s1/f/h18-19,23
    ,26H;
    FXEUKVKGTKDDIQ-ZMIYAPQADI    		 O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1cc
    c(cc1N(=O)=O)N(=O)=O; N[CH](CCC(=O)N[CH]
    (CSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)C(
    =O)NCC(O)=O)C(O)=O; c1cc(c(cc1N(=O)=O)N(
    =O)=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O
    )N; c1cc(c(cc1N(=O)=O)N(=O)=O)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](CSc1ccc(cc1[N+]([O-
    ])=O)[N+]([O-])=O)C(=O)NCC(O)=O)C(O)=O    		 1-(S-GLUTATHIONYL)-2,4-DINITROBENZENE
    21012 GDC 6 C16 H25 N5 O16 P2 InChI=1S/C16H25N5O16P2/c1
    7-16-19-12-6(13(28)20-16)
    18-3-21(12)14-10(26)8(24)
    5(34-14)2-33-38(29,30)37-
    39(31,32)36-15-11(27)9(25
    )7(23)4(1-22)35-15/h3-5,7
    -11,14-15,22-27H,1-2H2,(H
    ,29,30)(H,31,32)(H3,17,19
    ,20,28)/t4-,5+,7+,8+,9+,1
    0+,11-,14+,15+/m0/s1;
    MVMSCBBUIHUTGJ-JGQUBWHWSA-N    		 O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC
    4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O; c1nc2
    c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](
    =O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@@H]([
    C@@H]([C@@H](O4)CO)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[C@H]4O[C@@H](C
    O)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C
    @H]3O; c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(
    =O)(O)OC4C(C(C(C(O4)CO)O)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[CH]4O[CH](CO)[CH]
    (O)[CH](O)[CH]4O)[CH](O)[CH]3O    		 GUANOSINE-5'-DIPHOSPHATE-BETA-L-GALACTOSE
    21013 GDD
    ZINC000008215581    		 82 C16 H25 N5 O16 P2 InChI=1S/C16H25N5O16P2/c1
    7-16-19-12-6(13(28)20-16)
    18-3-21(12)14-10(26)8(24)
    5(34-14)2-33-38(29,30)37-
    39(31,32)36-15-11(27)9(25
    )7(23)4(1-22)35-15/h3-5,7
    -11,14-15,22-27H,1-2H2,(H
    ,29,30)(H,31,32)(H3,17,19
    ,20,28)/t4-,5-,7-,8-,9+,1
    0-,11+,14-,15-/m1/s1;
    MVMSCBBUIHUTGJ-GDJBGNAASA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@
    @](O)(=O)O[P@@](O)(=O)O[C@H]4O[C@H](CO)[
    C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3
    O; O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)
    OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O; c1
    nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4
    C(C(C(C(O4)CO)O)O)O)O)O)N=C(NC2=O)N; c1n
    c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@
    ](=O)(O)O[P@](=O)(O)O[C@@H]4[C@H]([C@H](
    [C@@H]([C@H](O4)CO)O)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[CH]4O[CH](CO)[CH](O)[
    CH](O)[CH]4O)[CH](O)[CH]3O    		 GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE
    21014 GDE
    CHEMBL288114
    ZINC000000001504    		 22 C7 H6 O5 InChI=1S/C7H6O5/c8-4-1-3(
    7(11)12)2-5(9)6(4)10/h1-2
    ,8-10H,(H,11,12);
    LNTHITQWFMADLM-UHFFFAOYSA-N    		 c1c(cc(c(c1O)O)O)C(=O)O; OC(=O)c1cc(O)c(
    O)c(O)c1; O=C(O)c1cc(O)c(O)c(O)c1    		 3,4,5-trihydroxybenzoic acid;
    Gallate
    21015 GDF
    CHEMBL3545879
    ZINC000245204699    		 2 C45 H54 N4 O8 InChI=1S/C45H54N4O8/c1-8-
    27-19-28-22-44(40(51)55-6
    ,36-30(25-48(23-27)24-28)
    29-13-10-11-14-33(29)46-3
    6)32-20-31-34(21-35(32)54
    -5)47(4)38-43(31)16-18-49
    -17-12-15-42(9-2,37(43)49
    )39(57-26(3)50)45(38,53)4
    1(52)56-7/h10-15,19-21,28
    ,37-39,46,53H,8-9,16-18,2
    2-25H2,1-7H3/t28-,37-,38-
    ,39+,42+,43+,44-,45-/m0/s
    1;
    GBABOYUKABKIAF-SULIYOFUSA-N    		 CCC1=C[CH]2C[N](C1)Cc3c([nH]c4ccccc34)[C
    ](C2)(C(=O)OC)c5cc6c(cc5OC)N(C)[CH]7[C](
    O)([CH](OC(C)=O)[C]8(CC)C=CCN9CC[C]67[CH
    ]89)C(=O)OC; CCC1=C[C@@H]2C[N@](C1)Cc3c(
    [nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(c
    c5OC)N(C)[C@@H]7[C@](O)([C@H](OC(C)=O)[C
    @]8(CC)C=CCN9CC[C@]67[C@H]89)C(=O)OC; CC
    C1=CC2CC(c3c(c4ccccc4[nH]3)CN(C2)C1)(c5c
    c6c(cc5OC)N(C7C68CCN9C8C(C=CC9)(C(C7(C(=
    O)OC)O)OC(=O)C)CC)C)C(=O)OC; CCC1=C[C@H]
    2C[C@@](c3c(c4ccccc4[nH]3)C[N@](C2)C1)(c
    5cc6c(cc5OC)N([C@H]7[C@]68CC[N@@]9C8[C@@
    ](C=CC9)([C@H]([C@@]7(C(=O)OC)O)OC(=O)C)
    CC)C)C(=O)OC    		 Vinorelbine
    21016 GDG
    CHEMBL228228
    ZINC000008215895    		 3 C16 H25 N5 O16 P2 InChI=1S/C16H25N5O16P2/c1
    7-16-19-12-6(13(28)20-16)
    18-3-21(12)14-10(26)8(24)
    5(34-14)2-33-38(29,30)37-
    39(31,32)36-15-11(27)9(25
    )7(23)4(1-22)35-15/h3-5,7
    -11,14-15,22-27H,1-2H2,(H
    ,29,30)(H,31,32)(H3,17,19
    ,20,28)/t4-,5-,7-,8-,9+,1
    0-,11-,14-,15-/m1/s1;
    MVMSCBBUIHUTGJ-LRJDVEEWSA-N    		 NC1=NC(=O)c2ncn([CH]3O[CH](CO[P](O)(=O)O
    [P](O)(=O)O[CH]4O[CH](CO)[CH](O)[CH](O)[
    CH]4O)[CH](O)[CH]3O)c2N1; c1nc2c(n1[C@H]
    3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)
    (O)O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)
    CO)O)O)O)O)O)NC(=NC2=O)N; NC1=NC(=O)c2nc
    n([C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O
    [C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O
    )[C@@H](O)[C@H]3O)c2N1; c1nc2c(n1C3C(C(C
    (O3)COP(=O)(O)OP(=O)(O)OC4C(C(C(C(O4)CO)
    O)O)O)O)O)NC(=NC2=O)N; C1(C(O)C(C(C(O1)C
    O)O)O)OP(OP(OCC4C(C(C(n2cnc3c2NC(=NC3=O)
    N)O4)O)O)(O)=O)(O)=O    		 GDP-ALPHA-D-GLUCOSE;
    GDP-ALPHA-D-GLUCOSE
    21017 GDH
    CHEMBL4291402    		 1 C24 H26 N2 O2 InChI=1S/C24H26N2O2/c1-17
    -8-13-26-21(14-17)16-28-2
    3-5-3-4-22(27-2)24(23)20-
    7-6-18-9-11-25-12-10-19(1
    8)15-20/h3-8,13-15,25H,9-
    12,16H2,1-2H3;
    KYANYGKXMNYFBX-UHFFFAOYSA-N    		 Cc1ccnc(c1)COc2cccc(c2c3ccc4c(c3)CCNCC4)
    OC; COc1cccc(OCc2cc(C)ccn2)c1c3ccc4CCNCC
    c4c3    		 7-[2-methoxy-6-[(4-methylpyridin-2-yl)methoxy]phenyl]-2,3,4,5-tetrahydro-1~{H}-3-benzazepine
    21018 GDI 4 C22 H24 N4 O InChI=1S/C22H24N4O/c23-14
    -17-6-10-19(11-7-17)18-8-
    4-16(5-9-18)13-20(15-24)2
    6-22(27)21-3-1-2-12-25-21
    /h4-11,15,20-21,24-25H,1-
    3,12-13H2,(H,26,27)/b24-1
    5+/t20-,21-/m0/s1;
    KWNFNOGHHWZOOZ-LZZAFKOHSA-N    		 N=C[CH](Cc1ccc(cc1)c2ccc(cc2)C#N)NC(=O)[
    CH]3CCCCN3; [H]/N=C/[C@H](Cc1ccc(cc1)c2c
    cc(cc2)C#N)NC(=O)[C@@H]3CCCCN3; O=C(NC(C
    =[N@H])Cc2ccc(c1ccc(C#N)cc1)cc2)C3NCCCC3
    ; c1cc(ccc1CC(C=N)NC(=O)C2CCCCN2)c3ccc(c
    c3)C#N; N=C[C@H](Cc1ccc(cc1)c2ccc(cc2)C#
    N)NC(=O)[C@@H]3CCCCN3    		 (2S)-N-[(2S)-1-AZANYLIDENE-3-[4-(4-CYANOPHENYL)PHENYL]PROPAN-2-YL]PIPERIDINE-2-CARBOXAMIDE
    21019 GDJ
    CHEMBL5184256    		 1 C35 H41 N7 O8 S2 InChI=1S/C35H41N7O8S2/c1-
    3-39-18-20-40(21-19-39)24
    -35(45)38-25-8-12-27(13-9
    -25)51(46,47)41(22-33(36)
    43)31-16-17-32(30-7-5-4-6
    -29(30)31)42(23-34(37)44)
    52(48,49)28-14-10-26(50-2
    )11-15-28/h4-17H,3,18-24H
    2,1-2H3,(H2,36,43)(H2,37,
    44)(H,38,45);
    KTGQNHLFJOVZNG-UHFFFAOYSA-N    		 CCN1CCN(CC1)CC(=O)Nc2ccc(cc2)S(=O)(=O)N(
    CC(=O)N)c3ccc(c4c3cccc4)N(CC(=O)N)S(=O)(
    =O)c5ccc(cc5)OC; CCN1CCN(CC1)CC(=O)Nc2cc
    c(cc2)[S](=O)(=O)N(CC(N)=O)c3ccc(N(CC(N)
    =O)[S](=O)(=O)c4ccc(OC)cc4)c5ccccc35    		 N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-2-(4-ethylpiperazin-1-yl)ethanamide
    21020 GDK
    CHEMBL4285648    		 1 C18 H16 N2 O InChI=1S/C18H16N2O/c1-14-
    7-9-15(10-8-14)18-17(6-4-
    12-20-18)21-13-16-5-2-3-1
    1-19-16/h2-12H,13H2,1H3;
    GEICNUUKZLWKET-UHFFFAOYSA-N    		 Cc1ccc(cc1)c2c(cccn2)OCc3ccccn3; Cc1ccc(
    cc1)c2ncccc2OCc3ccccn3    		 2-(4-methylphenyl)-3-(pyridin-2-ylmethoxy)pyridine
    21021 GDL
    DB02813
    ZINC000005438581    		 25 C8 H13 N O6 InChI=1S/C8H13NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-7,10,12-13H,2H2
    ,1H3,(H,9,11)/t4-,5-,6-,7
    -/m1/s1;
    NELQYZRSPDCGRQ-DBRKOABJSA-N    		 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=O;
    CC(=O)NC1C(C(C(OC1=O)CO)O)O; CC(=O)N[C@
    @H]1[C@H]([C@@H]([C@H](OC1=O)CO)O)O; O=C
    1OC(CO)C(O)C(O)C1NC(=O)C; CC(=O)N[C@@H]1
    [C@@H](O)[C@H](O)[C@@H](CO)OC1=O    		 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone;
    2-ACETAMIDO-2-DEOXY-D-GLUCONO-1,5-LACTONE
    21022 GDM
    CHEMBL278315
    DB02424
    ZINC000100064834    		 11 C29 H40 N2 O9 InChI=1S/C29H40N2O9/c1-15
    -11-19-25(34)20(14-21(32)
    27(19)39-7)31-28(35)16(2)
    9-8-10-22(37-5)26(40-29(3
    0)36)18(4)13-17(3)24(33)2
    3(12-15)38-6/h8-10,13-15,
    17,22-24,26,33H,11-12H2,1
    -7H3,(H2,30,36)(H,31,35)/
    b10-8-,16-9+,18-13+/t15-,
    17+,22+,23+,24-,26+/m1/s1;
    QTQAWLPCGQOSGP-KSRBKZBZSA-N    		 CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)
    C(=C(C1)C2=O)OC)C)OC)OC(=O)N)C)C)O)OC; O
    =C1C(OC)=C2C(=O)C(=C1)NC(=O)C(=CC=CC(OC)
    C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C2)C)C;
    C[C@H]1C[C@@H]([C@@H]([C@H](\C=C(\[C@@H]
    ([C@H](\C=C/C=C(/C(=O)NC2=CC(=O)C(=C(C1)
    C2=O)OC)\C)OC)OC(=O)N)/C)C)O)OC; CO[C@H]
    1C[C@H](C)CC2=C(OC)C(=O)C=C(NC(=O)\C(=C\
    C=C/[C@H](OC)[C@@H](OC(N)=O)\C(=C\[C@H](
    C)[C@H]1O)C)C)C2=O; CO[CH]1C[CH](C)CC2=C
    (OC)C(=O)C=C(NC(=O)C(=CC=C[CH](OC)[CH](O
    C(N)=O)C(=C[CH](C)[CH]1O)C)C)C2=O    		 GELDANAMYCIN
    21023 GDN
    CHEMBL1232997
    DB02458
    ZINC000003870210    		 30 C16 H19 N5 O10 S InChI=1S/C16H19N5O10S/c17
    -9(16(26)27)2-4-13(22)19-
    10(15(25)18-6-14(23)24)7-
    32-12-3-1-8(20(28)29)5-11
    (12)21(30)31/h1,3,5,9-10H
    ,2,4,6-7,17H2,(H,18,25)(H
    ,19,22)(H,23,24)(H,26,27)
    /t9-,10-/m0/s1;
    FXEUKVKGTKDDIQ-UWVGGRQHSA-N    		 O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSc1cc
    c(cc1[N+]([O-])=O)[N+]([O-])=O; c1cc(c(c
    c1[N+](=O)[O-])[N+](=O)[O-])SCC(C(=O)NCC
    (=O)O)NC(=O)CCC(C(=O)O)N; c1cc(c(cc1[N+]
    (=O)[O-])[N+](=O)[O-])SC[C@@H](C(=O)NCC(
    =O)O)NC(=O)CC[C@@H](C(=O)O)N; N[CH](CCC(
    =O)N[CH](CSc1ccc(cc1[N+]([O-])=O)[N+]([O
    -])=O)C(=O)NCC(O)=O)C(O)=O; N[C@@H](CCC(
    =O)N[C@@H](CSc1ccc(cc1[N+]([O-])=O)[N+](
    [O-])=O)C(=O)NCC(O)=O)C(O)=O    		 GLUTATHIONE S-(2,4 DINITROBENZENE)
    21024 GDO
    ZINC000013517233    		 1 C10 H14 N5 O7 P InChI=1S/C10H14N5O7P/c11-
    10-13-7-6(8(17)14-10)12-3
    -15(7)9-5(16)1-4(22-9)2-2
    1-23(18,19)20/h3-5,9,16H,
    1-2H2,(H2,18,19,20)(H3,11
    ,13,14,17)/t4-,5+,9+/m0/s
    1;
    FDFODSATEZEUMJ-OBXARNEKSA-N    		 c1nc2c(n1C3C(CC(O3)COP(=O)(O)O)O)N=C(NC2
    =O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO
    [P](O)(O)=O)C[CH]3O; O=P(O)(O)OCC3OC(n2c
    nc1c2N=C(N)NC1=O)C(O)C3; c1nc2c(n1[C@H]3
    [C@@H](C[C@H](O3)COP(=O)(O)O)O)N=C(NC2=O
    )N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](C
    O[P](O)(O)=O)C[C@H]3O    		 3'-deoxy-guanosine 5'-monophosphate
    21025 GDP
    CHEMBL384759
    DB04315
    ZINC000008215481    		 6479 C10 H15 N5 O11 P2 InChI=1S/C10H15N5O11P2/c1
    1-10-13-7-4(8(18)14-10)12
    -2-15(7)9-6(17)5(16)3(25-
    9)1-24-28(22,23)26-27(19,
    20)21/h2-3,5-6,9,16-17H,1
    H2,(H,22,23)(H2,19,20,21)
    (H3,11,13,14,18)/t3-,5-,6
    -,9-/m1/s1;
    QGWNDRXFNXRZMB-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=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)[C
    @@H](O)[C@H]3O; NC1=Nc2n(cnc2C(=O)N1)[CH
    ]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)
    [CH]3O; O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c
    2N=C(N)NC1=O)C(O)C3O; c1nc2c(n1[C@H]3[C@
    @H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(
    O)O)O)O)N=C(NC2=O)N    		 GUANOSINE-5'-DIPHOSPHATE
    21026 GDQ 5 C7 H13 N O3 InChI=1S/C7H13NO3/c9-2-3-
    1-4-5(8-4)7(11)6(3)10/h3-
    11H,1-2H2/t3-,4+,5+,6-,7-
    /m1/s1;
    JACJTGDBUDQHPY-VOQCIKJUSA-N    		 C1C(C(C(C2C1N2)O)O)CO; C1[C@@H]([C@H]([C
    @@H]([C@@H]2[C@H]1N2)O)O)CO; OC[C@H]1C[C
    @@H]2N[C@@H]2[C@@H](O)[C@@H]1O; OC[CH]1C
    [CH]2N[CH]2[CH](O)[CH]1O    		 (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol
    21027 GDR
    CHEMBL1233001
    DB02547
    ZINC000008218184    		 7 C16 H25 N5 O15 P2 InChI=1S/C16H25N5O15P2/c1
    -4-7(22)9(24)11(26)15(33-
    4)35-38(30,31)36-37(28,29
    )32-2-5-8(23)10(25)14(34-
    5)21-3-18-6-12(21)19-16(1
    7)20-13(6)27/h3-5,7-11,14
    -15,22-26H,2H2,1H3,(H,28,
    29)(H,30,31)(H3,17,19,20,
    27)/t4-,5-,7-,8-,9+,10-,1
    1+,14-,15-/m1/s1;
    LQEBEXMHBLQMDB-GDJBGNAASA-N    		 CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(
    C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O; C[C@
    @H]1[C@H]([C@@H]([C@@H]([C@H](O1)O[P@@](
    =O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H](
    [C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O)O;
    C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH
    ]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc3
    4)N)[CH](O)[CH](O)[CH]1O; C[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(=Nc34)N)[C
    @@H](O)[C@@H](O)[C@@H]1O; O=P(OC1OC(C(O)
    C(O)C1O)C)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)N
    C(=O)c3nc2)C(O)C4O    		 GUANOSINE-5'-DIPHOSPHATE-RHAMNOSE
    21028 GDS
    CHEMBL1372
    DB03310
    ZINC000003870129    		 63 C20 H32 N6 O12 S2 InChI=1S/C20H32N6O12S2/c2
    1-9(19(35)36)1-3-13(27)25
    -11(17(33)23-5-15(29)30)7
    -39-40-8-12(18(34)24-6-16
    (31)32)26-14(28)4-2-10(22
    )20(37)38/h9-12H,1-8,21-2
    2H2,(H,23,33)(H,24,34)(H,
    25,27)(H,26,28)(H,29,30)(
    H,31,32)(H,35,36)(H,37,38
    )/t9-,10-,11-,12-/m0/s1;
    YPZRWBKMTBYPTK-BJDJZHNGSA-N    		 C(CC(=O)N[C@@H](CSSC[C@@H](C(=O)NCC(=O)O
    )NC(=O)CC[C@@H](C(=O)O)N)C(=O)NCC(=O)O)[
    C@@H](C(=O)O)N; N[CH](CCC(=O)N[CH](CSSC[
    CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)
    C(=O)NCC(O)=O)C(O)=O; N[C@@H](CCC(=O)N[C
    @@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(
    =O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O; C(CC(=
    O)NC(CSSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)
    O)N)C(=O)NCC(=O)O)C(C(=O)O)N; O=C(NC(C(=
    O)NCC(=O)O)CSSCC(C(=O)NCC(=O)O)NC(=O)CCC
    (C(=O)O)N)CCC(C(=O)O)N    		 OXIDIZED GLUTATHIONE DISULFIDE
    21029 GDT
    CHEMBL1233002
    ZINC000058626810    		 7 C27 H44 N4 O6 InChI=1S/C27H44N4O6/c1-4-
    5-6-7-8-9-10-11-12-13-24(
    35)31-25(20(3)32)27(37)30
    -22-18-21(33)16-17-28-23(
    34)15-14-19(2)29-26(22)36
    /h10-15,19-22,25,32-33H,4
    -9,16-18H2,1-3H3,(H,28,34
    )(H,29,36)(H,30,37)(H,31,
    35)/b11-10+,13-12+,15-14+
    /t19-,20+,21-,22-,25-/m0/
    s1;
    TYGJUQYJMIOZLZ-HXSKNMNHSA-N    		 O=C(\C=C\C=C\CCCCCCC)NC(C(=O)NC1C(=O)NC(
    C=CC(=O)NCCC(O)C1)C)C(O)C; CCCCCCC/C=C/C
    =C/C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C
    [C@@H](O)CCNC(=O)/C=C/[C@H](C)NC1=O; CCC
    CCCCC=CC=CC(=O)NC(C(C)O)C(=O)NC1CC(CCNC(
    =O)C=CC(NC1=O)C)O; CCCCCCC\C=C\C=C\C(=O)
    N[C@@H]([C@@H](C)O)C(=O)N[C@H]1C[C@H](CC
    NC(=O)C=C[C@@H](NC1=O)C)O; CCCCCCCC=CC=C
    C(=O)N[CH]([CH](C)O)C(=O)N[CH]1C[CH](O)C
    CNC(=O)C=C[CH](C)NC1=O    		 (2E,4E)-N-[(2S,3R)-3-hydroxy-1-[[(3Z,5S,8S,10S)-10-hydroxy-5-methyl-2,7-dioxo-1,6-diazacyclododec-3-en-8-yl]amino]-1-ox obutan-2-yl]dodeca-2,4-dienamide;
    Glidobactin A
    21030 GDU
    CHEMBL439009
    DB03501
    ZINC000008551104    		 117 C15 H24 N2 O17 P2 InChI=1S/C15H24N2O17P2/c1
    8-3-5-8(20)10(22)12(24)14
    (32-5)33-36(28,29)34-35(2
    6,27)30-4-6-9(21)11(23)13
    (31-6)17-2-1-7(19)16-15(1
    7)25/h1-2,5-6,8-14,18,20-
    24H,3-4H2,(H,26,27)(H,28,
    29)(H,16,19,25)/t5-,6-,8+
    ,9-,10+,11-,12-,13-,14-/m
    1/s1;
    HSCJRCZFDFQWRP-ABVWGUQPSA-N    		 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]
    3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)O)O)
    O; OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC
    [CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
    )[CH](O)[CH](O)[CH]1O; OC[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)N3C=CC(=O)NC3=O)[C@H](O)
    [C@@H](O)[C@H]1O; O=P(OC1OC(C(O)C(O)C1O)
    CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(
    O)C3O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=
    O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O    		 GALACTOSE-URIDINE-5'-DIPHOSPHATE;
    UDP-D-GALACTOPYRANOSE
    21031 GDV
    ZINC000103542861    		 3 C17 H21 N4 O5 InChI=1S/C17H20N4O5/c1-9(
    23)18-13-15(25)14(24)12(8
    -22)21-7-11(20-16(13)21)1
    7(26)19-10-5-3-2-4-6-10/h
    2-7,12-15,22,24-25H,8H2,1
    H3,(H2,18,19,23,26)/p+1/t
    12-,13-,14-,15-/m1/s1;
    WWSQBPPKQTUEDT-KBUPBQIOSA-O    		 CC(=O)N[C@H]1c2[nH]c(c[n+]2[C@@H]([C@H](
    [C@@H]1O)O)CO)C(=O)Nc3ccccc3; CC(=O)N[CH
    ]1[CH](O)[CH](O)[CH](CO)[n+]2cc([nH]c12)
    C(=O)Nc3ccccc3; CC(=O)NC1c2[nH]c(c[n+]2C
    (C(C1O)O)CO)C(=O)Nc3ccccc3; CC(=O)N[C@@H
    ]1[C@@H](O)[C@H](O)[C@@H](CO)[n+]2cc([nH
    ]c12)C(=O)Nc3ccccc3; O=C(c1c[n+]2c(n1)C(
    NC(=O)C)C(O)C(O)C2CO)Nc3ccccc3    		 (5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE
    21032 GDW 1 C21 H24 N2 O2 InChI=1S/C21H24N2O2/c1-3-
    22(4-2)12-13-23-16-10-7-1
    1-17(24)18(16)19-20(23)14
    -8-5-6-9-15(14)21(19)25/h
    5-6,8-9H,3-4,7,10-13H2,1-
    2H3;
    YOZDJVVFWHDNEK-UHFFFAOYSA-N    		 CCN(CC)CCn1c2c(c3c1-c4ccccc4C3=O)C(=O)CC
    C2; CCN(CC)CCn1c2CCCC(=O)c2c3C(=O)c4cccc
    c4c13    		 5-[2-(diethylamino)ethyl]-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
    21033 GDX
    DB04023
    ZINC000008216635    		 36 C16 H23 N5 O17 P2 InChI=1S/C16H23N5O17P2/c1
    7-16-19-11-4(12(27)20-16)
    18-2-21(11)13-8(25)5(22)3
    (35-13)1-34-39(30,31)38-4
    0(32,33)37-15-9(26)6(23)7
    (24)10(36-15)14(28)29/h2-
    3,5-10,13,15,22-26H,1H2,(
    H,28,29)(H,30,31)(H,32,33
    )(H3,17,19,20,27)/t3-,5-,
    6+,7+,8-,9+,10+,13-,15-/m
    1/s1;
    DNBSDUDYNPJVCN-ZXTXFPBHSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)
    (=O)O[P](O)(=O)O[CH]4O[CH]([CH](O)[CH](O
    )[CH]4O)C(O)=O)[CH](O)[CH]3O; NC1=Nc2n(c
    nc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P
    ](O)(=O)O[C@H]4O[C@@H]([C@@H](O)[C@H](O)
    [C@@H]4O)C(O)=O)[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)O[C@@H]4[C@H]([C@H]([C
    @@H]([C@H](O4)C(=O)O)O)O)O)O)O)N=C(NC2=O
    )N; c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)
    (O)OC4C(C(C(C(O4)C(=O)O)O)O)O)O)O)N=C(NC
    2=O)N; O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP
    (=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3O)O)O
    )N    		 GUANOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), P'-D-MANNOPYRANOSYL ESTER
    21034 GDY 1 C16 H13 N O3 S2 InChI=1S/C16H13NO3S2/c18-
    15-14(22-16(19)17-15)10-1
    1-3-5-12(6-4-11)20-8-7-13
    -2-1-9-21-13/h1-6,9-10H,7
    -8H2,(H,17,18,19);
    NTKWOUHXDKSPIX-UHFFFAOYSA-N    		 O=C1NC(=O)/C(S1)=C/c2ccc(OCCc3sccc3)cc2;
    O=C1NC(=O)C(S1)=Cc2ccc(OCCc3sccc3)cc2;
    c1cc(ccc1OCCc2cccs2)[C@H]=C3C(NC(=O)S3)=
    O; c1cc(sc1)CCOc2ccc(cc2)C=C3C(=O)NC(=O)
    S3    		 (5Z)-5-({4-[2-(thiophen-2-yl)ethoxy]phenyl}methylidene)-1,3-thiazolidine-2,4-dione
    21035 GDZ
    CHEMBL4544881    		 0 C21 H21 F N6 O InChI=1S/C21H21FN6O/c1-14
    -11-27-12-15(9-17(22)21(2
    7)23-14)18-10-20(29)28-13
    -16(3-4-19(28)24-18)26-7-
    5-25(2)6-8-26/h3-4,9-13H,
    5-8H2,1-2H3;
    OCIABPGRNCLBEI-UHFFFAOYSA-N    		 Cc1cn2cc(cc(c2n1)F)C3=CC(=O)N4C=C(C=CC4=
    N3)N5CCN(CC5)C; CN1CCN(CC1)C2=CN3C(=O)C=
    C(N=C3C=C2)c4cn5cc(C)nc5c(F)c4    		 2-(8-fluoranyl-2-methyl-imidazo[1,2-a]pyridin-6-yl)-7-(4-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one;
    SMN-C5
    21036 GE0 5 C38 H68 N7 O17 P3 S InChI=1S/C38H68N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-27(46)23-66-
    21-20-40-29(47)18-19-41-3
    6(50)33(49)38(2,3)24-59-6
    5(56,57)62-64(54,55)58-22
    -28-32(61-63(51,52)53)31(
    48)37(60-28)45-26-44-30-3
    4(39)42-25-43-35(30)45/h2
    5-26,28,31-33,37,48-49H,4
    -24H2,1-3H3,(H,40,47)(H,4
    1,50)(H,54,55)(H,56,57)(H
    2,39,42,43)(H2,51,52,53)/
    t28-,31-,32-,33+,37-/m1/s
    1;
    SBIFJLISRCXPBF-QYIYCXJMSA-N    		 CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C
    @@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1
    [C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
    P(=O)(O)O)O; CCCCCCCCCCCCCCCC(=O)CSCCNC(
    =O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)O
    CC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)
    O; CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O
    )[C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)O
    C[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=
    O)n2cnc3c(N)ncnc23; CCCCCCCCCCCCCCCC(=O)
    CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)
    (=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1
    O[P](O)(O)=O)n2cnc3c(N)ncnc23    		 [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate
    21037 GE1 0 C6 H14 N2 O2 InChI=1S/C6H14N2O2/c7-3-4
    -1-2-5(8)6(9)10-4/h4-6,9H
    ,1-3,7-8H2/t4-,5+,6-/m0/s
    1;
    FGFITZOBEYBNGG-JKUQZMGJSA-N    		 NC[C@@H]1CC[C@@H](N)[C@@H](O)O1; NC[CH]1
    CC[CH](N)[CH](O)O1; OC1OC(CN)CCC1N; C1C[
    C@H]([C@H](O[C@@H]1CN)O)N; C1CC(C(OC1CN)
    O)N    		 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranose;
    3,4-DIDEOXY-2,6-AMINO-ALPHA-D GALACTOPYRANOSE;
    2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexose;
    2,6-diamino-2,3,4,6-tetradeoxy-D-erythro-hexose;
    2,6-diamino-2,3,4,6-tetradeoxy-erythro-hexose
    21038 GE2 0 C6 H14 N2 O InChI=1S/C6H14N2O/c7-4-1-
    5(8)3-6(9)2-4/h4-6,9H,1-3
    ,7-8H2/t4-,5+,6-;
    ORKQZIAHTZABIG-FPFOFBBKSA-N    		 C1[C@H](CC(C[C@H]1N)O)N; OC1CC(N)CC(N)C1
    ; C1C(CC(CC1N)O)N; N[C@@H]1C[C@H](N)C[C@
    H](O)C1; N[CH]1C[CH](N)C[CH](O)C1    		 3,5-DIAMINO-CYCLOHEXANOL
    21039 GE3 0 C7 H15 N O4 InChI=1S/C7H15NO4/c1-7(11
    )3-12-6(10)4(9)5(7)8-2/h4
    -6,8-11H,3H2,1-2H3/t4-,5-
    ,6+,7+/m1/s1;
    VXWORWYFOFDZLY-JWXFUTCRSA-N    		 CC1(COC(C(C1NC)O)O)O; CN[C@@H]1[C@@H](O)
    [C@@H](O)OC[C@]1(C)O; CN[CH]1[CH](O)[CH]
    (O)OC[C]1(C)O; OC1C(NC)C(O)(COC1O)C; C[C
    @@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O)O    		 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranose;
    5-METHYL-4-METHYLAMINO-TETRAHYDRO-PYRAN-2,3,5-TRIOL;
    3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinose;
    3-deoxy-4-C-methyl-3-(methylamino)-L-arabinose;
    3-deoxy-4-C-methyl-3-(methylamino)-arabinose
    21040 GE5 3 C31 H26 F N5 O3 S InChI=1S/C31H26FN5O3S/c1-
    39-25-13-14-26(40-2)21(18
    -25)10-15-28(38)34-27-19-
    22(16-17-33-27)30-29(20-8
    -11-23(32)12-9-20)35-31(4
    1-30)37-36-24-6-4-3-5-7-2
    4/h3-9,11-14,16-19H,10,15
    H2,1-2H3,(H,33,34,38)/b37
    -36+;
    OCIGBTIRVZOQBN-BSRQYYOTSA-N    		 COc1ccc(c(c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3
    )/N=N/c4ccccc4)c5ccc(cc5)F)OC; COc1ccc(c
    (c1)CCC(=O)Nc2cc(ccn2)c3c(nc(s3)N=Nc4ccc
    cc4)c5ccc(cc5)F)OC; COc1ccc(OC)c(CCC(=O)
    Nc2cc(ccn2)c3sc(N=Nc4ccccc4)nc3c5ccc(F)c
    c5)c1    		 3-(2,5-dimethoxyphenyl)-~{N}-[4-[4-(4-fluorophenyl)-2-[(~{E})-phenyldiazenyl]-1,3-thiazol-5-yl]pyridin-2-yl]propanamide
    21041 GE6
    CHEMBL3818050    		 2 C10 H15 F N3 O15 P3 InChI=1S/C10H15FN3O15P3/c
    11-4-1-14(9(18)5(13-4)8(1
    2)17)10-7(16)6(15)3(27-10
    )2-26-31(22,23)29-32(24,2
    5)28-30(19,20)21/h1,3,6-7
    ,10,15-16H,2H2,(H2,12,17)
    (H,22,23)(H,24,25)(H2,19,
    20,21)/t3-,6-,7-,10-/m1/s
    1;
    UUKPXXBDUCDZDA-KAFVXXCXSA-N    		 C1=C(N=C(C(=O)N1C2C(C(C(O2)COP(=O)(O)OP(
    =O)(O)OP(=O)(O)O)O)O)C(=O)N)F; NC(=O)C1=
    NC(=CN([C@@H]2O[C@H](CO[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O)C1=O)F
    ; C1=C(N=C(C(=O)N1[C@H]2[C@@H]([C@@H]([C
    @H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
    )C(=O)N)F; NC(=O)C1=NC(=CN([CH]2O[CH](CO
    [P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O
    )[CH]2O)C1=O)F    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    21042 GE7 4 C23 H25 N O3 InChI=1S/C23H25NO3/c1-14-
    10-12-16(13-11-14)20-17-8
    -6-7-9-18(17)24-15(2)19(2
    0)21(22(25)26)27-23(3,4)5
    /h6-13,21H,1-5H3,(H,25,26
    )/t21-/m0/s1;
    ORZNQMRZCHOXIM-NRFANRHFSA-N    		 Cc1ccc(cc1)c2c3ccccc3nc(C)c2[CH](OC(C)(C
    )C)C(O)=O; Cc1ccc(cc1)c2c3ccccc3nc(c2[C@
    @H](C(=O)O)OC(C)(C)C)C; O=C(O)C(OC(C)(C)
    C)c1c(c2ccccc2nc1C)c1ccc(C)cc1; Cc1ccc(c
    c1)c2c3ccccc3nc(c2C(C(=O)O)OC(C)(C)C)C;
    Cc1ccc(cc1)c2c3ccccc3nc(C)c2[C@H](OC(C)(
    C)C)C(O)=O    		 (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid
    21043 GE8 1 C13 H18 Cl N O2 S InChI=1S/C13H18ClNO2S/c1-
    13(2,12(16)15-8-3-9-18)17
    -11-6-4-10(14)5-7-11/h4-7
    ,18H,3,8-9H2,1-2H3,(H,15,
    16);
    NOEIHAKSVWIMBY-UHFFFAOYSA-N    		 CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCS; CC(C)(C(
    =O)NCCCS)Oc1ccc(cc1)Cl    		 2-(4-chloranylphenoxy)-2-methyl-~{N}-(3-sulfanylpropyl)propanamide
    21044 GE9
    ZINC000004014507    		 3 C7 H4 I3 N O InChI=1S/C7H4I3NO/c8-3-1-
    4(7(11)12)6(10)5(9)2-3/h1
    -2H,(H2,11,12);
    OVJSATAEGZSMIJ-UHFFFAOYSA-N    		 c1c(cc(c(c1C(=O)N)I)I)I; NC(=O)c1cc(I)cc
    (I)c1I    		 2,3,5-tris(iodanyl)benzamide
    21045 GEB 0 C10 H18 N2 O2 InChI=1S/C10H18N2O2/c13-9
    -1-3-11-5-7-12(8-6-11)4-2
    -10-14/h9-10H,1-8H2;
    YNICZMOQZCCMFE-UHFFFAOYSA-N    		 C1CN(CCN1CCC=O)CCC=O; O=CCCN1CCN(CCC=O)C
    C1    		 3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal
    21046 GEC
    CHEMBL260183
    ZINC000004098921    		 11 C20 H22 O6 InChI=1S/C20H22O6/c1-23-1
    7-7-11(3-5-15(17)21)19-13
    -9-26-20(14(13)10-25-19)1
    2-4-6-16(22)18(8-12)24-2/
    h3-8,13-14,19-22H,9-10H2,
    1-2H3/t13-,14-,19+,20+/m0
    /s1;
    HGXBRUKMWQGOIE-AFHBHXEDSA-N    		 COc1cc(ccc1O)C2C3COC(C3CO2)c4ccc(c(c4)OC
    )O; COc1cc(ccc1O)[C@@H]2[C@H]3CO[C@@H]([
    C@H]3CO2)c4ccc(c(c4)OC)O; COc1cc(ccc1O)[
    C@H]2OC[C@H]3[C@@H]2CO[C@@H]3c4ccc(O)c(O
    C)c4; COc1cc(ccc1O)[CH]2OC[CH]3[CH]2CO[C
    H]3c4ccc(O)c(OC)c4    		 4-[(3S,3aR,6S,6aR)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol;
    (+)-pinoresinol
    21047 GED
    CHEMBL5185586    		 1 C36 H43 N7 O8 S2 InChI=1S/C36H43N7O8S2/c1-
    3-40-20-22-41(23-21-40)19
    -18-36(46)39-26-8-12-28(1
    3-9-26)52(47,48)42(24-34(
    37)44)32-16-17-33(31-7-5-
    4-6-30(31)32)43(25-35(38)
    45)53(49,50)29-14-10-27(5
    1-2)11-15-29/h4-17H,3,18-
    25H2,1-2H3,(H2,37,44)(H2,
    38,45)(H,39,46);
    ZELGLHRMBBOISG-UHFFFAOYSA-N    		 CCN1CCN(CC1)CCC(=O)Nc2ccc(cc2)[S](=O)(=O
    )N(CC(N)=O)c3ccc(N(CC(N)=O)[S](=O)(=O)c4
    ccc(OC)cc4)c5ccccc35; CCN1CCN(CC1)CCC(=O
    )Nc2ccc(cc2)S(=O)(=O)N(CC(=O)N)c3ccc(c4c
    3cccc4)N(CC(=O)N)S(=O)(=O)c5ccc(cc5)OC    		 N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-(4-ethylpiperazin-1-yl)propanamide
    21048 GEE
    CHEMBL2448938
    ZINC000034800260    		 6 C4 H9 N O2 InChI=1S/C4H9NO2/c1-2-7-4
    (6)3-5/h2-3,5H2,1H3;
    NTNZTEQNFHNYBC-UHFFFAOYSA-N    		 O=C(OCC)CN; CCOC(=O)CN ethyl glycinate
    21049 GEF
    CHEMBL267963
    ZINC000001667643    		 12 C20 H22 O6 InChI=1S/C20H22O6/c1-23-1
    7-7-11(3-5-15(17)21)19-13
    -9-26-20(14(13)10-25-19)1
    2-4-6-16(22)18(8-12)24-2/
    h3-8,13-14,19-22H,9-10H2,
    1-2H3/t13-,14-,19+,20+/m1
    /s1;
    HGXBRUKMWQGOIE-NSMLZSOPSA-N    		 COc1cc(ccc1O)C2C3COC(C3CO2)c4ccc(c(c4)OC
    )O; COc1cc(ccc1O)[C@H]2[C@@H]3CO[C@H]([C
    @@H]3CO2)c4ccc(c(c4)OC)O; COc1cc(ccc1O)[
    C@@H]2OC[C@@H]3[C@H]2CO[C@H]3c4ccc(O)c(O
    C)c4; COc1cc(ccc1O)[CH]2OC[CH]3[CH]2CO[C
    H]3c4ccc(O)c(OC)c4    		 4-[(3R,3aS,6R,6aS)-6-(3-methoxy-4-oxidanyl-phenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxy-phenol;
    (-)-pinoresinol
    21050 GEG
    DB01699
    ZINC000103542879    		 8 C6 H11 N O2 InChI=1S/C6H11NO2/c1-2-5(
    7)3-4-6(8)9/h2H,3-4,7H2,1
    H3,(H,8,9)/b5-2+;
    KQFBUAIXCIGKAP-GORDUTHDSA-N    		 C\C=C(/CCC(=O)O)\N; C\C=C(N)/CCC(O)=O; O
    =C(O)CCC(=C/C)\N; CC=C(CCC(=O)O)N; CC=C(
    N)CCC(O)=O    		 (4E)-4-AMINOHEX-4-ENOIC ACID
    21051 GEH 5 C12 H16 Cl N O2 S InChI=1S/C12H16ClNO2S/c1-
    12(2,11(15)14-7-8-17)16-1
    0-5-3-9(13)4-6-10/h3-6,17
    H,7-8H2,1-2H3,(H,14,15);
    NDZCOUBEYALMJI-UHFFFAOYSA-N    		 CC(C)(C(=O)NCCS)Oc1ccc(cc1)Cl; CC(C)(Oc1
    ccc(Cl)cc1)C(=O)NCCS    		 2-(4-chloranylphenoxy)-2-methyl-~{N}-(2-sulfanylethyl)propanamide
    21052 GEI
    CHEMBL5093378    		 1 C34 H43 F N2 O4 InChI=1S/C34H43FN2O4/c1-2
    2-28(25-10-14-27(15-11-25
    )40-21-16-24-8-12-26(35)1
    3-9-24)30(37-19-17-34(6,7
    )18-20-37)29(23(2)36-22)3
    1(32(38)39)41-33(3,4)5/h8
    -15,31H,16-21H2,1-7H3,(H,
    38,39)/t31-/m0/s1;
    LISBHANFFRGXOI-HKBQPEDESA-N    		 Cc1c(c(c(c(n1)C)C(C(=O)O)OC(C)(C)C)N2CCC
    (CC2)(C)C)c3ccc(cc3)OCCc4ccc(cc4)F; Cc1n
    c(C)c(c2ccc(OCCc3ccc(F)cc3)cc2)c(N4CCC(C
    )(C)CC4)c1[C@H](OC(C)(C)C)C(O)=O; Cc1c(c
    (c(c(n1)C)[C@@H](C(=O)O)OC(C)(C)C)N2CCC(
    CC2)(C)C)c3ccc(cc3)OCCc4ccc(cc4)F; Cc1nc
    (C)c(c2ccc(OCCc3ccc(F)cc3)cc2)c(N4CCC(C)
    (C)CC4)c1[CH](OC(C)(C)C)C(O)=O; Fc1ccc(c
    c1)CCOc1ccc(cc1)c1c(c(c(C)nc1C)C(OC(C)(C
    )C)C(=O)O)N1CCC(C)(C)CC1    		 (2S)-tert-butoxy[4-(4,4-dimethylpiperidin-1-yl)-5-{4-[2-(4-fluorophenyl)ethoxy]phenyl}-2,6-dimethylpyridin-3-yl]acetic acid
    21053 GEJ 1 C22 H28 N6 O3 S InChI=1S/C22H28N6O3S/c1-4
    -16-19(14(3)29)13(2)26-20
    (16)17-12-32-22(27-17)28-
    10-9-23-11-18(28)21(30)24
    -7-5-15-6-8-25-31-15/h6,8
    ,12,18,23,26H,4-5,7,9-11H
    2,1-3H3,(H,24,30)/t18-/m1
    /s1;
    MGZJHFUJKNWRTF-GOSISDBHSA-N    		 CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[C
    @@H]3C(=O)NCCc4oncc4; CCc1c(c([nH]c1c2cs
    c(n2)N3CCNCC3C(=O)NCCc4ccno4)C)C(=O)C; C
    Cc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[CH
    ]3C(=O)NCCc4oncc4; CCc1c(c([nH]c1c2csc(n
    2)N3CCNC[C@@H]3C(=O)NCCc4ccno4)C)C(=O)C    		 (2R)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)-1,3-thiazol-2-yl]-N-[2-(1,2-oxazol-5-yl)ethyl]piperazine-2-carboxamide
    21054 GEK 16 C16 H22 N6 O7 S InChI=1S/C16H22N6O7S/c17-
    7(16(27)28)1-2-30(4-9(23)
    24)3-8-11(25)12(26)15(29-
    8)22-6-21-10-13(18)19-5-2
    0-14(10)22/h5-8,11-12,15,
    25-26H,1-4,17H2,(H3-,18,1
    9,20,23,24,27,28)/t7-,8+,
    11+,12+,15+,30-/m0/s1;
    VFFTYSZNZJBRBG-HEOPWLPUSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](C[S+](CC[CH](
    [NH3+])C([O-])=O)CC([O-])=O)[CH](O)[CH]3
    O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]
    ([C@H](O3)C[S@+](CC[C@@H](C(=O)[O-])[NH3
    +])CC(=O)[O-])O)O)N; c1nc(c2c(n1)n(cn2)C
    3C(C(C(O3)C[S+](CCC(C(=O)[O-])[NH3+])CC(
    =O)[O-])O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[
    C@H](C[S@+](CC[C@H]([NH3+])C([O-])=O)CC(
    [O-])=O)[C@@H](O)[C@H]3O; [O-]C(=O)C[S+]
    (CCC(C([O-])=O)[NH3+])CC3OC(n2cnc1c(ncnc
    12)N)C(O)C3O    		 (2S)-4-[{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(carboxylatomethyl)sulfonio] -2-ammoniobutanoate;
    CARBOXY-S-ADENOSYLMETHIONINE
    21055 GEL
    CHEMBL1159973
    DB03565    		 6 C20 H45 N O8 P2 InChI=1S/C20H45NO8P2/c1-3
    -5-7-9-10-12-15-26-18-20(
    19-28-31(24,25)27-16-14-2
    1)29-30(22,23)17-13-11-8-
    6-4-2/h20H,3-19,21H2,1-2H
    3,(H,22,23)(H,24,25)/t20-
    /m1/s1;
    RCCNUBYROFOKAU-HXUWFJFHSA-N    		 CCCCCCCCOC[C@H](CO[P@@](O)(=O)OCCN)O[P@]
    (O)(=O)CCCCCCC; CCCCCCCCOC[CH](CO[P](O)(
    =O)OCCN)O[P](O)(=O)CCCCCCC; O=P(OCC(OP(=
    O)(O)CCCCCCC)COCCCCCCCC)(OCCN)O; CCCCCCC
    COCC(COP(=O)(O)OCCN)OP(=O)(CCCCCCC)O; CC
    CCCCCCOCC(CO[P@](=O)(O)OCCN)O[P@](=O)(CC
    CCCCC)O    		 1-O-OCTYL-2-HEPTYLPHOSPHONYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
    21056 GEM
    DB04489
    ZINC000002384679    		 10 C7 H13 N3 O4 S InChI=1S/C7H13N3O4S/c8-7(
    9)10-1-2-15-4(6(13)14)3-5
    (11)12/h4H,1-3H2,(H,11,12
    )(H,13,14)(H4,8,9,10)/t4-
    /m0/s1;
    VKVCLXDFOQQABP-BYPYZUCNSA-N    		 NC(=N)NCCS[CH](CC(O)=O)C(O)=O; NC(=N)NCC
    S[C@@H](CC(O)=O)C(O)=O; O=C(O)C(SCCNC(=[
    N@H])N)CC(=O)O; C(CS[C@@H](CC(=O)O)C(=O)
    O)NC(=N)N; C(CSC(CC(=O)O)C(=O)O)NC(=N)N    		 (2-GUANIDINOETHYLMERCAPTO)SUCCINIC ACID;
    2-GUANIDINOETHYLTHIO)SUCCINIC ACID;
    GUANIDINOETHYL MERCAPTOSUCCINIC ACID;
    GEMSA
    21057 GEN
    CHEMBL44
    DB01645
    ZINC000018825330    		 23 C15 H10 O5 InChI=1S/C15H10O5/c16-9-3
    -1-8(2-4-9)11-7-20-13-6-1
    0(17)5-12(18)14(13)15(11)
    19/h1-7,16-18H;
    TZBJGXHYKVUXJN-UHFFFAOYSA-N    		 c1cc(ccc1C2=COc3cc(cc(c3C2=O)O)O)O; O=C1
    c3c(OC=C1c2ccc(O)cc2)cc(O)cc3O; Oc1ccc(c
    c1)C2=COc3cc(O)cc(O)c3C2=O    		 GENISTEIN;
    5,7-DIHYDROXY-3-(4-HYDROXYPHENYL)-4H-1-BENZOPYRAN-4-ONE;
    4',5,7-TRIHYDROXYISOFLAVONE;
    PRUNETOL;
    GENISTEOL
    21058 GEO
    CHEMBL888
    DB00441
    ZINC000018279854    		 9 C9 H11 F2 N3 O4 InChI=1S/C9H11F2N3O4/c10-
    9(11)6(16)4(3-15)18-7(9)1
    4-2-1-5(12)13-8(14)17/h1-
    2,4,6-7,15-16H,3H2,(H2,12
    ,13,17)/t4-,6-,7-/m1/s1;
    SDUQYLNIPVEERB-QPPQHZFASA-N    		 NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO)[C@@H]
    (O)C2(F)F; NC1=NC(=O)N(C=C1)[CH]2O[CH](C
    O)[CH](O)C2(F)F; C1=CN(C(=O)N=C1N)C2C(C(
    C(O2)CO)O)(F)F; C1=CN(C(=O)N=C1N)[C@H]2C
    ([C@@H]([C@H](O2)CO)O)(F)F; O=C1N=C(N)C=
    CN1C2OC(C(O)C2(F)F)CO    		 GEMCITABINE;
    2',2'-DIFLUORODEOXYCYTIDINE
    21059 GEP
    ZINC000006519735    		 2 C19 H29 N2 O3 InChI=1S/C19H28N2O3/c1-21
    (13-3-2-4-14-21)15-12-16-
    8-10-17(11-9-16)20-18(22)
    6-5-7-19(23)24/h8-11H,2-7
    ,12-15H2,1H3,(H-,20,22,23
    ,24)/p+1;
    OKJUVEGXNINONS-UHFFFAOYSA-O    		 C[N+]1(CCCCC1)CCc2ccc(cc2)NC(=O)CCCC(=O)
    O; C[N+]1(CCCCC1)CCc2ccc(NC(=O)CCCC(O)=O
    )cc2; O=C(O)CCCC(=O)Nc1ccc(cc1)CC[N+]2(C
    CCCC2)C    		 N-METHYL-N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM ION
    21060 GEQ
    CHEMBL216579
    DB04289
    ZINC000021289745    		 4 C26 H23 N3 O InChI=1S/C26H23N3O/c30-26
    (19-9-10-24-18(17-19)11-1
    2-27-24)29-15-13-28(14-16
    -29)25-22-7-3-1-5-20(22)2
    1-6-2-4-8-23(21)25/h1-12,
    17,25,27H,13-16H2;
    YYMZSGIXLQPFAC-UHFFFAOYSA-N    		 O=C(N1CCN(CC1)C2c3ccccc3c4ccccc24)c5ccc6
    [nH]ccc6c5; O=C(N4CCN(C3c1c(cccc1)c2cccc
    c23)CC4)c6ccc5nccc5c6; c1ccc2c(c1)-c3ccc
    cc3C2N4CCN(CC4)C(=O)c5ccc6c(c5)cc[nH]6    		 5-{[4-(9H-FLUOREN-9-YL)PIPERAZIN-1-YL]CARBONYL}-1H-INDOLE;
    GENZ-10850
    21061 GER
    ZINC000014880577    		 39 C20 H34 InChI=1S/C20H34/c1-7-18(4
    )12-9-14-20(6)16-10-15-19
    (5)13-8-11-17(2)3/h7,11,1
    4-15H,8-10,12-13,16H2,1-6
    H3/b18-7+,19-15+,20-14+;
    HSOYJGBJQAKCNA-CAIKYXSQSA-N    		 C(=C/CCC(=C/C)/C)(\CC/C=C(/CC/C=C(\C)C)C
    )C; C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=
    C(C)C; CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;
    C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C    		 GERAN-8-YL GERAN
    21062 GES
    CHEMBL4217414    		 2 C18 H30 N6 O2 InChI=1S/C18H30N6O2/c1-12
    (2)9-13(17(26)24(8)22(6)1
    1-19)20-16(25)14-10-15(18
    (3,4)5)21-23(14)7/h10,12-
    13H,9H2,1-8H3,(H,20,25)/t
    13-/m0/s1;
    BTSJGBRRCQOXFA-ZDUSSCGKSA-N    		 CC(C)C[CH](NC(=O)c1cc(nn1C)C(C)(C)C)C(=O
    )N(C)N(C)C#N; C(NC(c1cc(C(C)(C)C)nn1C)=O
    )(CC(C)C)C(N(N(C)C#N)C)=O; CC(C)C[C@@H](
    C(=O)N(C)N(C)C#N)NC(=O)c1cc(nn1C)C(C)(C)
    C; CC(C)CC(C(=O)N(C)N(C)C#N)NC(=O)c1cc(n
    n1C)C(C)(C)C; CC(C)C[C@H](NC(=O)c1cc(nn1
    C)C(C)(C)C)C(=O)N(C)N(C)C#N    		 3-tert-butyl-N-[(2S)-1-(2-cyano-1,2-dimethylhydrazinyl)-4-methyl-1-oxopentan-2-yl]-1-methyl-1H-pyrazole-5-carboxamide (non-preferred name)
    21063 GET
    CHEMBL215226
    DB04263
    ZINC000043543817    		 8 C20 H40 N4 O10 InChI=1S/C20H40N4O10/c1-6
    (25)14-11(27)10(26)9(23)1
    8(32-14)33-15-7(21)4-8(22
    )16(12(15)28)34-19-13(29)
    17(24-3)20(2,30)5-31-19/h
    6-19,24-30H,4-5,21-23H2,1
    -3H3/t6-,7+,8-,9-,10-,11+
    ,12+,13-,14-,15-,16+,17-,
    18-,19-,20+/m1/s1;
    BRZYSWJRSDMWLG-DJWUNRQOSA-N    		 C[C@H]([C@@H]1[C@H]([C@@H]([C@H]([C@H](O
    1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O[
    C@@H]3[C@@H]([C@H]([C@@](CO3)(C)O)NC)O)N
    )N)N)O)O)O; CN[CH]1[CH](O)[CH](OC[C]1(C)
    O)O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](
    [CH](C)O)[CH](O)[CH](O)[CH]3N)[CH]2O; CC
    (C1C(C(C(C(O1)OC2C(CC(C(C2O)OC3C(C(C(CO3
    )(C)O)NC)O)N)N)N)O)O)O; O(C2C(O)C(OC1OC(
    C(O)C)C(O)C(O)C1N)C(N)CC2N)C3OCC(O)(C(NC
    )C3O)C; CN[C@@H]1[C@@H](O)[C@H](OC[C@]1(
    C)O)O[C@H]2[C@H](N)C[C@H](N)[C@@H](O[C@H
    ]3O[C@H]([C@@H](C)O)[C@@H](O)[C@H](O)[C@
    H]3N)[C@@H]2O    		 GENETICIN;
    G418
    21064 GEU 1 C22 H19 Cl N4 O4 InChI=1S/C22H19ClN4O4/c1-
    11-15(19(28)18-12(2)24-26
    (4)20(18)29)8-9-16-17(11)
    21(30)27(22(31)25(16)3)14
    -7-5-6-13(23)10-14/h5-10,
    24H,1-4H3;
    HYQZCGAYFSXSBE-UHFFFAOYSA-N    		 Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3cccc(c3)Cl)
    C(=O)C4=C(NN(C4=O)C)C; CN1NC(=C(C1=O)C(=
    O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4cccc(Cl)
    c4)C    		 3-(3-chlorophenyl)-6-[(2,5-dimethyl-3-oxidanylidene-1~{H}-pyrazol-4-yl)carbonyl]-1,5-dimethyl-quinazoline-2,4-dione
    21065 GEV 4 C23 H18 N2 O4 S InChI=1S/C23H18N2O4S/c1-1
    4-18(24-22(29-14)17-5-3-2
    -4-6-17)11-12-19(26)16-9-
    7-15(8-10-16)13-20-21(27)
    25-23(28)30-20/h2-10,13H,
    11-12H2,1H3,(H,25,27,28);
    DAVUFXMQAAAHHE-UHFFFAOYSA-N    		 Cc1c(nc(o1)c2ccccc2)CCC(=O)c3ccc(cc3)C=C
    4C(=O)NC(=O)S4; c4ccc(c3nc(CCC(c2ccc(\C=
    C1\C(NC(=O)S1)=O)cc2)=O)c(C)o3)cc4; Cc1o
    c(nc1CCC(=O)c2ccc(cc2)C=C3SC(=O)NC3=O)c4
    ccccc4; Cc1oc(nc1CCC(=O)c2ccc(cc2)\C=C\3
    SC(=O)NC\3=O)c4ccccc4    		 (5Z)-5-({4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl}methylidene)-1,3-thiazolidine-2,4-dione;
    Darglitazone
    21066 GEW 3 C32 H28 F2 N6 O3 InChI=1S/C32H28F2N6O3/c1-
    40-31(30(20-4-7-23(33)8-5
    -20)37-32(40)39-38-25-11-
    9-24(34)10-12-25)22-16-17
    -35-28(19-22)36-29(41)15-
    6-21-18-26(42-2)13-14-27(
    21)43-3/h4-5,7-14,16-19H,
    6,15H2,1-3H3,(H,35,36,41)
    /b39-38+;
    BBDJOFZXYVEURD-YMZYAJTMSA-N    		 COc1ccc(OC)c(CCC(=O)Nc2cc(ccn2)c3n(C)c(N
    =Nc4ccc(F)cc4)nc3c5ccc(F)cc5)c1; Cn1c(c(
    nc1/N=N/c2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c
    4)NC(=O)CCc5cc(ccc5OC)OC; Cn1c(c(nc1N=Nc
    2ccc(cc2)F)c3ccc(cc3)F)c4ccnc(c4)NC(=O)C
    Cc5cc(ccc5OC)OC    		 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide
    21067 GEX
    CHEMBL504293
    ZINC000002390002    		 1 C11 H16 N2 S InChI=1S/C11H16N2S/c1-14-
    11-5-3-2-4-10(11)13-8-6-1
    2-7-9-13/h2-5,12H,6-9H2,1
    H3;
    RXJURXTXLCOIDY-UHFFFAOYSA-N    		 CSc1ccccc1N2CCNCC2 1-(2-methylsulfanylphenyl)piperazine
    21068 GEY
    CHEMBL4293570
    ZINC000032838973    		 1 C12 H22 O2 InChI=1S/C12H22O2/c1-2-3-
    4-5-6-7-8-9-10-11-12(13)1
    4/h10-11H,2-9H2,1H3,(H,13
    ,14)/b11-10-;
    PAWGRNGPMLVJQH-KHPPLWFESA-N    		 CCCCCCCCC/C=C\C(=O)O; CCCCCCCCC\C=C/C(O)
    =O; CCCCCCCCCC=CC(O)=O; CCCCCCCCCC=CC(=O
    )O; C(\C=C/CCCCCCCCC)(O)=O    		 (2Z)-dodec-2-enoic acid
    21069 GEZ
    CHEMBL4293287    		 2 C19 H24 N4 O3 S InChI=1S/C19H24N4O3S/c1-1
    1-12(2)22-23-18(11)21-14-
    7-8-20-15-10-16(26-6)17(9
    -13(14)15)27(24,25)19(3,4
    )5/h7-10H,1-6H3,(H2,20,21
    ,22,23);
    LHPFRDAGGDMRMZ-UHFFFAOYSA-N    		 COc1cc2nccc(Nc3[nH]nc(C)c3C)c2cc1[S](=O)
    (=O)C(C)(C)C; Cc1c(n[nH]c1Nc2ccnc3c2cc(c
    (c3)OC)S(=O)(=O)C(C)(C)C)C    		 6-~{tert}-butylsulfonyl-~{N}-(3,4-dimethyl-1~{H}-pyrazol-5-yl)-7-methoxy-quinolin-4-amine
    21070 GF0
    CHEMBL308759
    ZINC000003797144    		 0 C10 H12 F N5 O4 InChI=1S/C10H12FN5O4/c11-
    4-6(18)3(1-17)20-9(4)16-2
    -13-5-7(16)14-10(12)15-8(
    5)19/h2-4,6,9,17-18H,1H2,
    (H3,12,14,15,19)/t3-,4-,6
    -,9-/m1/s1;
    UXUZARPLRQRNNX-DXTOWSMRSA-N    		 c1nc2c(n1C3C(C(C(O3)CO)O)F)N=C(NC2=O)N;
    NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH](
    O)[CH]3F; c1nc2c(n1[C@H]3[C@@H]([C@@H]([
    C@H](O3)CO)O)F)N=C(NC2=O)N; NC1=Nc2n(cnc
    2C(=O)N1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]
    3F    		 2'-deoxy-2'-fluoroguanosine
    21071 GF1
    DB07823
    ZINC000002317458    		 6 C12 H15 N O4 InChI=1S/C12H15NO4/c1-5(1
    2(16)17)13-10(14)8-6-2-3-
    7(4-6)9(8)11(13)15/h5-9H,
    2-4H2,1H3,(H,16,17)/t5-,6
    -,7+,8-,9+/m0/s1;
    REFMTLIXGKZVDF-VRGHQRLXSA-N    		 O=C(O)C(N2C(=O)C3C1CCC(C1)C3C2=O)C; CC(C
    (=O)O)N1C(=O)C2C3CCC(C3)C2C1=O; C[C@@H](
    C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@
    H]2C1=O; C[CH](N1C(=O)[CH]2[CH]3CC[CH](C
    3)[CH]2C1=O)C(O)=O; C[C@H](N1C(=O)[C@H]2
    [C@H]3CC[C@H](C3)[C@H]2C1=O)C(O)=O    		 (2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid
    21072 GF2
    ZINC000058638550    		 0 C10 H13 F N5 O7 P InChI=1S/C10H13FN5O7P/c11
    -4-6(17)3(1-22-24(19,20)2
    1)23-9(4)16-2-13-5-7(16)1
    4-10(12)15-8(5)18/h2-4,6,
    9,17H,1H2,(H2,19,20,21)(H
    3,12,14,15,18)/t3-,4-,6-,
    9-/m1/s1;
    ZTDPJNQLNRZPCT-DXTOWSMRSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P]
    (O)(O)=O)[C@@H](O)[C@H]3F; O=P(O)(O)OCC3
    OC(n2cnc1c2N=C(N)NC1=O)C(F)C3O; NC1=Nc2n
    (cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[C
    H](O)[CH]3F; c1nc2c(n1C3C(C(C(O3)COP(=O)
    (O)O)O)F)N=C(NC2=O)N; c1nc2c(n1[C@H]3[C@
    @H]([C@@H]([C@H](O3)COP(=O)(O)O)O)F)N=C(
    NC2=O)N    		 2'-deoxy-2'-fluoroguanosine 5'-(dihydrogen phosphate)
    21073 GF3
    CHEMBL64369
    ZINC000002391730    		 2 C12 H15 N O InChI=1S/C12H15NO/c1-2-4-
    11-10(3-1)9-14-12(11)5-7-
    13-8-6-12/h1-4,13H,5-9H2;
    BYOIMOJOKVUNTP-UHFFFAOYSA-N    		 c1ccc2c(c1)COC23CCNCC3; C1CC2(CCN1)OCc3c
    cccc23    		 spiro[1H-2-benzofuran-3,4'-piperidine]
    21074 GF4
    CHEMBL1213368
    DB07824
    ZINC000004784270    		 3 C7 H10 N6 O InChI=1S/C7H10N6O/c1-3-5-
    4(2)10-13(6(5)14)7-8-11-1
    2-9-7/h10H,3H2,1-2H3,(H,8
    ,9,11,12);
    WAVWUEFMWJZZFB-UHFFFAOYSA-N    		 CCC1=C(C)NN(C1=O)c2[nH]nnn2; O=C2C(=C(NN
    2c1nnnn1)C)CC; CCC1=C(NN(C1=O)c2[nH]nnn2
    )C    		 4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one
    21075 GF5 2 C12 H20 F N3 O8 S2 InChI=1S/C12H20FN3O8S2/c1
    3-26(23,24)4-3-25-6-8(11(
    20)15-5-10(18)19)16-9(17)
    2-1-7(14)12(21)22/h7-8H,1
    -6,14H2,(H,15,20)(H,16,17
    )(H,18,19)(H,21,22)/t7-,8
    -/m0/s1;
    ICNGQPVIPUWGEA-YUMQZZPRSA-N    		 N[C@@H](CCC(=O)N[C@@H](CSCC[S](F)(=O)=O)
    C(=O)NCC(O)=O)C(O)=O; C(CC(=O)N[C@@H](CS
    CCS(=O)(=O)F)C(=O)NCC(=O)O)[C@@H](C(=O)O
    )N; N[CH](CCC(=O)N[CH](CSCC[S](F)(=O)=O)
    C(=O)NCC(O)=O)C(O)=O; C(CC(=O)NC(CSCCS(=
    O)(=O)F)C(=O)NCC(=O)O)C(C(=O)O)N    		 (2S)-2-azanyl-5-[[(2R)-3-(2-fluorosulfonylethylsulfanyl)-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid
    21076 GF6
    CHEMBL1338939
    ZINC000001232422    		 1 C8 H7 F3 N2 O InChI=1S/C8H7F3N2O/c9-8(1
    0,11)5-2-1-3-6(4-5)13-7(1
    2)14/h1-4H,(H3,12,13,14);
    FQEIBEOBXKJAMZ-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=O)N)C(F)(F)F; NC(=O)Nc1cc
    cc(c1)C(F)(F)F    		 1-[3-(trifluoromethyl)phenyl]urea
    21077 GF7
    DB07825
    ZINC000003260002    		 1 C13 H13 N O4 InChI=1S/C13H13NO4/c1-8(1
    5)9-2-4-11(5-3-9)14-7-10(
    13(17)18)6-12(14)16/h2-5,
    10H,6-7H2,1H3,(H,17,18)/t
    10-/m0/s1;
    SQGYWRZISBCKMW-JTQLQIEISA-N    		 O=C(c1ccc(cc1)N2C(=O)CC(C(=O)O)C2)C; CC(
    =O)c1ccc(cc1)N2C[C@H](CC2=O)C(=O)O; CC(=
    O)c1ccc(cc1)N2C[CH](CC2=O)C(O)=O; CC(=O)
    c1ccc(cc1)N2C[C@H](CC2=O)C(O)=O; CC(=O)c
    1ccc(cc1)N2CC(CC2=O)C(=O)O    		 (3S)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylic acid
    21078 GF8 1 C10 H11 Cl2 N O S InChI=1S/C10H11Cl2NOS/c11
    -8-2-1-7(5-9(8)12)6-10(14
    )13-3-4-15/h1-2,5,15H,3-4
    ,6H2,(H,13,14);
    ZRTLNSGWIWNTPL-UHFFFAOYSA-N    		 c1cc(c(cc1CC(=O)NCCS)Cl)Cl; SCCNC(=O)Cc1
    ccc(Cl)c(Cl)c1    		 2-(3,4-dichlorophenyl)-~{N}-(2-sulfanylethyl)ethanamide
    21079 GF9 2 C15 H16 Cl N5 O InChI=1S/C15H16ClN5O/c1-2
    -3-12-8-14(22)21-15(18-12
    )19-13(20-21)9-17-11-6-4-
    10(16)5-7-11/h4-7,17H,2-3
    ,8-9H2,1H3;
    FNVJMLMLKHWCHJ-UHFFFAOYSA-N    		 CCCC1=Nc2nc(nn2C(=O)C1)CNc3ccc(cc3)Cl; C
    CCC1=Nc2nc(CNc3ccc(Cl)cc3)nn2C(=O)C1    		 2-[[(4-chlorophenyl)amino]methyl]-5-propyl-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
    21080 GFA
    CHEMBL296939
    DB07826    		 1 C21 H16 Cl N O3 InChI=1S/C21H16ClNO3/c22-
    16-11-12-19(18(13-16)21(2
    5)15-7-3-1-4-8-15)26-14-2
    0(24)23-17-9-5-2-6-10-17/
    h1-13H,14H2,(H,23,24);
    DTGVSZSMDOMAEB-UHFFFAOYSA-N    		 Clc2cc(c(OCC(=O)Nc1ccccc1)cc2)C(=O)c3ccc
    cc3; c1ccc(cc1)C(=O)c2cc(ccc2OCC(=O)Nc3c
    cccc3)Cl; Clc1ccc(OCC(=O)Nc2ccccc2)c(c1)
    C(=O)c3ccccc3    		 2-[4-chloro-2-(phenylcarbonyl)phenoxy]-N-phenylacetamide
    21081 GFB
    CHEMBL1229250
    DB18689
    ZINC000008551145    		 34 C16 H25 N5 O15 P2 InChI=1S/C16H25N5O15P2/c1
    -4-7(22)9(24)11(26)15(33-
    4)35-38(30,31)36-37(28,29
    )32-2-5-8(23)10(25)14(34-
    5)21-3-18-6-12(21)19-16(1
    7)20-13(6)27/h3-5,7-11,14
    -15,22-26H,2H2,1H3,(H,28,
    29)(H,30,31)(H3,17,19,20,
    27)/t4-,5+,7+,8+,9+,10+,1
    1-,14+,15+/m0/s1;
    LQEBEXMHBLQMDB-JGQUBWHWSA-N    		 O=C4NC(=Nc1c4ncn1C2OC(C(O)C2O)COP(=O)(OP
    (=O)(OC3OC(C(O)C(O)C3O)C)O)O)N; CC1C(C(C
    (C(O1)OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3c
    nc4c3N=C(NC4=O)N)O)O)O)O)O; C[C@H]1[C@H]
    ([C@H]([C@@H]([C@H](O1)OP(=O)(O)OP(=O)(O
    )OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3
    N=C(NC4=O)N)O)O)O)O)O; C[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(=Nc34)N)[C@@H]
    (O)[C@H](O)[C@@H]1O; C[CH]1O[CH](O[P](O)
    (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2
    O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)[C
    H]1O    		 GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE
    21082 GFC
    ZINC000058638551    		 1 C11 H16 Cl F N5 O12 P3 InChI=1S/C11H16ClFN5O12P3
    /c12-11(13,31(21,22)23)32
    (24,25)30-33(26,27)28-2-5
    -4(19)1-6(29-5)18-3-15-7-
    8(18)16-10(14)17-9(7)20/h
    3-6,19H,1-2H2,(H,24,25)(H
    ,26,27)(H2,21,22,23)(H3,1
    4,16,17,20)/t4-,5+,6+,11+
    /m0/s1;
    YYWHXOYNXRQZKR-XUSYNCDOSA-N    		 c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(F)
    (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)[C](F)(Cl)[P](O)(O)=O)O3; c
    1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O
    )(O)O[P@](=O)([C@](F)(P(=O)(O)O)Cl)O)O)N
    =C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C
    [C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(=O)[C
    @@](F)(Cl)[P](O)(O)=O)O3; O=P(O)(O)C(Cl)
    (F)P(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N
    )NC1=O)CC3O    		 5'-O-[(S)-{[(S)-[(S)-chloro(fluoro)phosphonomethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxyguanosine
    21083 GFD
    CHEMBL4856564    		 2 C27 H27 N5 O7 S2 InChI=1S/C27H27N5O7S2/c1-
    39-19-8-12-21(13-9-19)41(
    37,38)32(17-27(30)34)25-1
    5-14-24(22-4-2-3-5-23(22)
    25)31(16-26(29)33)40(35,3
    6)20-10-6-18(28)7-11-20/h
    2-15H,16-17,28H2,1H3,(H2,
    29,33)(H2,30,34);
    DFIZGWXPFCOCFG-UHFFFAOYSA-N    		 COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N
    (CC(N)=O)[S](=O)(=O)c3ccc(N)cc3)c4ccccc2
    4; COc1ccc(cc1)S(=O)(=O)N(CC(=O)N)c2ccc(
    c3c2cccc3)N(CC(=O)N)S(=O)(=O)c4ccc(cc4)N    		 2-[(4-aminophenyl)sulfonyl-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]amino]ethanamide
    21084 GFE
    CHEMBL92583
    ZINC000001666573    		 4 C11 H13 Cl2 N5 InChI=1S/C11H13Cl2N5/c1-1
    1(2)17-9(14)16-10(15)18(1
    1)6-3-4-7(12)8(13)5-6/h3-
    5H,1-2H3,(H4,14,15,16,17);
    FPULLBVUFHTKQQ-UHFFFAOYSA-N    		 CC1(N=C(N=C(N1c2ccc(c(c2)Cl)Cl)N)N)C; CC
    1(C)N=C(N)N=C(N)N1c2ccc(Cl)c(Cl)c2    		 1-(3,4-dichlorophenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
    21085 GFF
    ZINC000038534633    		 3 C11 H16 F2 N5 O12 P3 InChI=1S/C11H16F2N5O12P3/
    c12-11(13,31(21,22)23)32(
    24,25)30-33(26,27)28-2-5-
    4(19)1-6(29-5)18-3-15-7-8
    (18)16-10(14)17-9(7)20/h3
    -6,19H,1-2H2,(H,24,25)(H,
    26,27)(H2,21,22,23)(H3,14
    ,16,17,20)/t4-,5+,6+/m0/s
    1;
    BLHFKUNEUAHYSE-KVQBGUIXSA-N    		 c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](
    =O)(O)O[P@](=O)(C(F)(F)P(=O)(O)O)O)O)N=C
    (NC2=O)N; FC(F)(P(=O)(O)O)P(=O)(O)OP(=O)
    (O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O; NC1=
    Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P]
    (O)(=O)O[P](O)(=O)C(F)(F)[P](O)(O)=O)O3;
    c1nc2c(n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(F
    )(F)P(=O)(O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(
    cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@]
    (O)(=O)O[P@](O)(=O)C(F)(F)[P](O)(O)=O)O3    		 2'-DEOXY-5'-O-[({[DIFLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL}OXY)(HYDROXY)PHOSPHORYL]GUANOSINE
    21086 GFH
    ZINC000038798475    		 5 C11 H17 F N5 O12 P3 InChI=1S/C11H17FN5O12P3/c
    12-10(30(20,21)22)31(23,2
    4)29-32(25,26)27-2-5-4(18
    )1-6(28-5)17-3-14-7-8(17)
    15-11(13)16-9(7)19/h3-6,1
    0,18H,1-2H2,(H,23,24)(H,2
    5,26)(H2,20,21,22)(H3,13,
    15,16,19)/t4-,5+,6+,10+/m
    0/s1;
    PVDLZOAYDIZEDJ-AVAJSQPUSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](C
    O[P](O)(=O)O[P](O)(=O)[CH](F)[P](O)(O)=O
    )O3; FC(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC3O
    C(n2cnc1c2N=C(N)NC1=O)CC3O; c1nc2c(n1C3C
    C(C(O3)COP(=O)(O)OP(=O)(C(F)P(=O)(O)O)O)
    O)N=C(NC2=O)N; c1nc2c(n1[C@H]3C[C@@H]([C
    @H](O3)CO[P@@](=O)(O)O[P@@](=O)([C@H](F)
    P(=O)(O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2
    C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P@](O)(
    =O)O[P@@](O)(=O)[C@H](F)[P](O)(O)=O)O3    		 2'-DEOXY-5'-O-[(R)-{[(R)-[(R)-FLUORO(PHOSPHONO)METHYL](HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]GUANOSINE
    21087 GFI
    CHEMBL4786215    		 1 C19 H19 F3 N4 O4 InChI=1S/C19H19F3N4O4/c1-
    11-9-12(16-23-18(30-25-16
    )19(20,21)22)6-7-15(11)28
    -8-4-5-13-10-14(24-29-13)
    17(27)26(2)3/h6-7,9-10H,4
    -5,8H2,1-3H3;
    ZDMWUMVBMYLHFC-UHFFFAOYSA-N    		 CN(C)C(=O)c1cc(on1)CCCOc1ccc(cc1C)c1nc(o
    n1)C(F)(F)F; Cc1cc(ccc1OCCCc2cc(no2)C(=O
    )N(C)C)c3nc(on3)C(F)(F)F; CN(C)C(=O)c1cc
    (CCCOc2ccc(cc2C)c3noc(n3)C(F)(F)F)on1    		 N,N-dimethyl-5-(3-{2-methyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenoxy}propyl)-1,2-oxazole-3-carboxamide
    21088 GFJ
    CHEMBL4470860    		 1 C24 H15 F3 N8 InChI=1S/C24H15F3N8/c1-11
    -33-21-14(24-31-10-32-34-
    24)8-12(13-4-6-30-23(28)2
    0(13)27)9-18(21)35(11)17-
    5-7-29-22-16(26)3-2-15(25
    )19(17)22/h2-10H,1H3,(H2,
    28,30)(H,31,32,34);
    SBVBUGSOYHJGGD-UHFFFAOYSA-N    		 Cc1nc2c(cc(cc2c3[nH]cnn3)c4ccnc(N)c4F)n1
    c5ccnc6c(F)ccc(F)c56; Cc1nc2c(cc(cc2n1c3
    ccnc4c3c(ccc4F)F)c5ccnc(c5F)N)c6[nH]cnn6
    ; n3c5c(n(c1c2c(ncc1)c(ccc2F)F)c3C)cc(c4
    c(c(N)ncc4)F)cc5c6nncn6    		 4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine
    21089 GFK
    CHEMBL1945812
    ZINC000073198675    		 1 C19 H19 F3 N4 O3 S InChI=1S/C19H19F3N4O3S/c1
    -28-12-2-3-13-14(10-12)30
    -18(23-13)16-24-17(29-25-
    16)11-5-8-26(9-6-11)15(27
    )4-7-19(20,21)22/h2-3,10-
    11H,4-9H2,1H3;
    MDFQKZXRTVTODM-UHFFFAOYSA-N    		 COc1ccc2c(c1)sc(n2)c3nc(on3)C4CCN(CC4)C(
    =O)CCC(F)(F)F; COc1ccc2nc(sc2c1)c3noc(n3
    )C4CCN(CC4)C(=O)CCC(F)(F)F    		 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
    21090 GFL
    ZINC000058632028    		 0 C10 H13 F N5 O7 P InChI=1S/C10H13FN5O7P/c11
    -4-6(17)3(1-22-24(19,20)2
    1)23-9(4)16-2-13-5-7(16)1
    4-10(12)15-8(5)18/h2-4,6,
    9,17H,1H2,(H2,19,20,21)(H
    3,12,14,15,18)/t3-,4+,6-,
    9-/m1/s1;
    ZTDPJNQLNRZPCT-AYQXTPAHSA-N    		 c1nc2c(n1[C@H]3[C@H]([C@@H]([C@H](O3)COP
    (=O)(O)O)O)F)N=C(NC2=O)N; NC1=Nc2n(cnc2C
    (=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[
    CH]3F; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H
    ](CO[P](O)(O)=O)[C@@H](O)[C@@H]3F; O=C1c
    2ncn(c2N=C(N)N1)C3OC(C(O)C3F)COP(=O)(O)O
    ; c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)F)N=
    C(NC2=O)N    		 2-AMINO-9-(2-DEOXY-2-FLUORO-5-O-PHOSPHONO-BETA-D-ARABINOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE;
    2'-FLUORO-2-DEOXY-GUANOSINE-5'-MONOPHOSPHATE
    21091 GFM
    ZINC000058660911    		 1 C12 H19 F N5 O12 P3 InChI=1S/C12H19FN5O12P3/c
    1-12(13,31(21,22)23)32(24
    ,25)30-33(26,27)28-3-6-5(
    19)2-7(29-6)18-4-15-8-9(1
    8)16-11(14)17-10(8)20/h4-
    7,19H,2-3H2,1H3,(H,24,25)
    (H,26,27)(H2,21,22,23)(H3
    ,14,16,17,20)/t5-,6+,7+,1
    2+/m0/s1;
    MKPYQNARCBWQRN-WGVJZOHMSA-N    		 C[C@@](F)([P](O)(O)=O)[P](O)(=O)O[P](O)(
    =O)OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3C(=O)N
    C(=Nc23)N; O=P(O)(O)C(F)(C)P(=O)(O)OP(=O
    )(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O; CC(
    F)(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC1C(CC(O
    1)n2cnc3c2N=C(NC3=O)N)O; C[C](F)([P](O)(
    O)=O)[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](C
    [CH]1O)n2cnc3C(=O)NC(=Nc23)N; C[C@](F)([
    P@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](C[
    C@@H](O1)n2cnc3c2N=C(NC3=O)N)O)P(=O)(O)O    		 2'-deoxy-5'-O-[(S)-{[(S)-[(1R)-1-fluoro-1-phosphonoethyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
    21092 GFN
    CHEMBL428581
    ZINC000038197764    		 10 C19 H22 F N3 O4 InChI=1S/C19H22FN3O4/c1-1
    0-8-22(6-5-21-10)16-14(20
    )7-12-15(18(16)27-2)23(11
    -3-4-11)9-13(17(12)24)19(
    25)26/h7,9-11,21H,3-6,8H2
    ,1-2H3,(H,25,26)/t10-/m0/
    s1;
    XUBOMFCQGDBHNK-JTQLQIEISA-N    		 COc1c(N2CCN[CH](C)C2)c(F)cc3C(=O)C(=CN(C
    4CC4)c13)C(O)=O; CC4CN(c2c(F)cc1C(C(=CN(
    c1c2OC)C3CC3)C(O)=O)=O)CCN4; C[C@H]1CN(C
    CN1)c2c(cc3c(c2OC)N(C=C(C3=O)C(=O)O)C4CC
    4)F; CC1CN(CCN1)c2c(cc3c(c2OC)N(C=C(C3=O
    )C(=O)O)C4CC4)F; COc1c(N2CCN[C@@H](C)C2)
    c(F)cc3C(=O)C(=CN(C4CC4)c13)C(O)=O    		 1-cyclopropyl-6-fluoro-8-methoxy-7-[(3S)-3-methylpiperazin-1-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid;
    Gatifloxacin
    21093 GFO 2 C25 H24 N6 O InChI=1S/C25H24N6O/c1-25(
    2,3)18-11-8-17(9-12-18)23
    -29-24-27-19(14-22(32)31(
    24)30-23)15-26-21-13-10-1
    6-6-4-5-7-20(16)28-21/h4-
    13H,14-15H2,1-3H3,(H,26,2
    8);
    TZHVTFCKNRQYBM-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cc1)c2nc3n(n2)C(=O)CC(=N3)
    CNc4ccc5ccccc5n4; CC(C)(C)c1ccc(cc1)c2nn
    3C(=O)CC(=Nc3n2)CNc4ccc5ccccc5n4    		 2-(4-tert-butylphenyl)-5-[(quinolin-2-ylamino)methyl]-6H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
    21094 GFP
    CHEMBL1233022
    ZINC000005830076    		 2 C6 H12 F O8 P InChI=1S/C6H12FO8P/c7-3-5
    (10)4(9)2(1-8)14-6(3)15-1
    6(11,12)13/h2-6,8-10H,1H2
    ,(H2,11,12,13)/t2-,3-,4-,
    5-,6-/m1/s1;
    LXEHNDWFCMGWAY-QZABAPFNSA-N    		 C(C1C(C(C(C(O1)OP(=O)(O)O)F)O)O)O; C([C@
    @H]1[C@H]([C@@H]([C@H]([C@H](O1)OP(=O)(O
    )O)F)O)O)O; OC[C@H]1O[C@H](O[P](O)(O)=O)
    [C@H](F)[C@@H](O)[C@@H]1O; OC[CH]1O[CH](
    O[P](O)(O)=O)[CH](F)[CH](O)[CH]1O; O=P(O
    C1OC(C(O)C(O)C1F)CO)(O)O    		 2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucopyranose;
    2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE-1-PHOSPHATE;
    2-deoxy-2-fluoro-1-O-phosphono-alpha-D-glucose;
    2-deoxy-2-fluoro-1-O-phosphono-D-glucose;
    2-deoxy-2-fluoro-1-O-phosphono-glucose
    21095 GFQ 1 C19 H23 F3 N2 O S InChI=1S/C19H23F3N2OS/c1-
    13(2)4-3-5-17-24-16(12-26
    -17)14-6-8-15(9-7-14)18(2
    5)23-11-10-19(20,21)22/h6
    -9,12-13H,3-5,10-11H2,1-2
    H3,(H,23,25);
    KTLILWGHLTVHAZ-UHFFFAOYSA-N    		 CC(C)CCCc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)(
    F)F; CC(C)CCCc1scc(n1)c2ccc(cc2)C(=O)NCC
    C(F)(F)F    		 4-[2-(4-methylpentyl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
    21096 GFR
    CHEMBL487997
    ZINC000000900145    		 12 C20 H24 O6 InChI=1S/C20H24O6/c1-24-1
    8-8-12(3-5-16(18)22)7-14-
    11-26-20(15(14)10-21)13-4
    -6-17(23)19(9-13)25-2/h3-
    6,8-9,14-15,20-23H,7,10-1
    1H2,1-2H3/t14-,15-,20+/m1
    /s1;
    MHXCIKYXNYCMHY-SXGZJXTBSA-N    		 COc1cc(ccc1O)CC2COC(C2CO)c3ccc(c(c3)OC)O
    ; COc1cc(C[CH]2CO[CH]([CH]2CO)c3ccc(O)c(
    OC)c3)ccc1O; COc1cc(ccc1O)C[C@@H]2CO[C@H
    ]([C@@H]2CO)c3ccc(c(c3)OC)O; COc1cc(C[C@
    @H]2CO[C@H]([C@@H]2CO)c3ccc(O)c(OC)c3)cc
    c1O    		 4-[[(3S,4S,5R)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol;
    (-)-Lariciresinol
    21097 GFS 1 C24 H16 O3 S2 InChI=1S/C24H16O3S2/c25-2
    2(15-8-1-2-9-16(15)24(26)
    27)21-17-10-4-6-12-20(17)
    29-23(21)18-13-28-19-11-5
    -3-7-14(18)19/h1-13,21,23
    H,(H,26,27)/t21-,23-/m1/s
    1;
    NTRXBLTVBRCVPP-FYYLOGMGSA-N    		 c1ccc2c(c1)c(cs2)C3C(c4ccccc4S3)C(=O)c5c
    cccc5C(=O)O; OC(=O)c1ccccc1C(=O)[C@@H]2[
    C@H](Sc3ccccc23)c4csc5ccccc45; OC(=O)c1c
    cccc1C(=O)[CH]2[CH](Sc3ccccc23)c4csc5ccc
    cc45; O=C(O)c1ccccc1C(=O)C1c2ccccc2SC1c1
    csc2ccccc21; c1ccc2c(c1)c(cs2)[C@@H]3[C@
    H](c4ccccc4S3)C(=O)c5ccccc5C(=O)O    		 2-[(2S,3R)-2,3-dihydro[2,3'-bi-1-benzothiophene]-3-carbonyl]benzoic acid
    21098 GFT
    ZINC000098208934    		 0 C10 H20 N O5 P InChI=1S/C10H20NO5P/c1-17
    (14,15-7-9(11)10(12)13)16
    -8-5-3-2-4-6-8/h8-9H,2-7,
    11H2,1H3,(H,12,13)/t9-,17
    -/m0/s1;
    MMIZIQBFTWGSRL-XYZCENFISA-N    		 CP(=O)(OCC(C(=O)O)N)OC1CCCCC1; C[P](=O)(
    OC[CH](N)C(O)=O)OC1CCCCC1; O=C(O)C(N)COP
    (=O)(OC1CCCCC1)C; C[P@](=O)(OC[C@@H](C(=
    O)O)N)OC1CCCCC1; C[P@](=O)(OC[C@H](N)C(O
    )=O)OC1CCCCC1    		 (2S)-2-azanyl-3-[cyclohexyloxy(methyl)phosphoryl]oxy-propanoic acid;
    Cyclosarin bound Serine
    21099 GFU
    CHEMBL518421
    ZINC000004098820    		 4 C20 H24 O6 InChI=1S/C20H24O6/c1-24-1
    8-8-12(3-5-16(18)22)7-14-
    11-26-20(15(14)10-21)13-4
    -6-17(23)19(9-13)25-2/h3-
    6,8-9,14-15,20-23H,7,10-1
    1H2,1-2H3/t14-,15-,20+/m0
    /s1;
    MHXCIKYXNYCMHY-AUSJPIAWSA-N    		 COc1cc(C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(O)
    c(OC)c3)ccc1O; COc1cc(ccc1O)CC2COC(C2CO)
    c3ccc(c(c3)OC)O; COc1cc(C[CH]2CO[CH]([CH
    ]2CO)c3ccc(O)c(OC)c3)ccc1O; COc1cc(ccc1O
    )C[C@H]2CO[C@@H]([C@H]2CO)c3ccc(c(c3)OC)
    O    		 4-[[(3R,4R,5S)-4-(hydroxymethyl)-5-(3-methoxy-4-oxidanyl-phenyl)oxolan-3-yl]methyl]-2-methoxy-phenol;
    (+)-Lariciresinol
    21100 GFV
    ZINC000006713967    		 2 C19 H20 N2 O4 S InChI=1S/C19H20N2O4S/c1-1
    2(22)14-4-5-15(20-11-14)8
    -9-25-16-6-2-13(3-7-16)10
    -17-18(23)21-19(24)26-17/
    h2-7,11-12,17,22H,8-10H2,
    1H3,(H,21,23,24)/t12-,17-
    /m0/s1;
    OXVFDZYQLGRLCD-SJCJKPOMSA-N    		 CC(c1ccc(nc1)CCOc2ccc(cc2)CC3C(=O)NC(=O)
    S3)O; C[C@H](O)c1ccc(CCOc2ccc(C[C@@H]3SC
    (=O)NC3=O)cc2)nc1; C[CH](O)c1ccc(CCOc2cc
    c(C[CH]3SC(=O)NC3=O)cc2)nc1; C(Oc2ccc(CC
    1C(NC(=O)S1)=O)cc2)Cc3ncc(C(C)O)cc3; C[C
    @@H](c1ccc(nc1)CCOc2ccc(cc2)C[C@H]3C(=O)
    NC(=O)S3)O    		 Hydroxy Pioglitazone (M-IV);
    (5S)-5-{[4-(2-{5-[(1S)-1-hydroxyethyl]pyridin-2-yl}ethoxy)phenyl]methyl}-1,3-thiazolidine-2,4-dione
    21101 GFW 1 C18 H24 N2 O4 S2 InChI=1S/C18H24N2O4S2/c1-
    4-24-18(21)11-17-20-16(12
    -25-17)14-5-7-15(8-6-14)2
    6(22,23)19-10-9-13(2)3/h5
    -8,12-13,19H,4,9-11H2,1-3
    H3;
    BNWOHTVYARXZJA-UHFFFAOYSA-N    		 CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)N
    CCC(C)C; CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=
    O)(=O)NCCC(C)C    		 ethyl 2-[4-[4-(3-methylbutylsulfamoyl)phenyl]-1,3-thiazol-2-yl]ethanoate
    21102 GFX 2 C10 H16 F N O3 InChI=1S/C10H16FNO3/c1-9(
    2)6(8(13)15-5)7(11)10(3,4
    )12(9)14/h14H,1-5H3;
    XDMSBWBMQSTLAZ-UHFFFAOYSA-N    		 CC1(C(=C(C(N1O)(C)C)F)C(=O)OC)C; COC(=O)
    C1=C(F)C(C)(C)N(O)C1(C)C; FC1=C(C(=O)OC)
    C(C)(C)N(O)C1(C)C    		 methyl 4-fluoro-1-hydroxy-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrole-3-carboxylate, radical
    21103 GFZ 1 C29 H30 N2 O3 InChI=1S/C29H30N2O3/c1-20
    (2)31-16-14-29(15-17-31)1
    9-26(32)25-18-23(12-13-27
    (25)34-29)21-8-10-22(11-9
    -21)28(33)30-24-6-4-3-5-7
    -24/h3-13,18,20H,14-17,19
    H2,1-2H3,(H,30,33);
    XQDWUPXCNFCIBY-UHFFFAOYSA-N    		 CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(
    cc4)C(=O)Nc5ccccc5    		 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-phenyl-benzamide
    21104 GG0
    CHEMBL292467
    ZINC000005112515    		 1 C4 H8 N2 O3 InChI=1S/C4H8N2O3/c5-1-3(
    7)6-2-4(8)9/h1-2,5H2,(H,6
    ,7)(H,8,9);
    YMAWOPBAYDPSLA-UHFFFAOYSA-N    		 NCC(=O)NCC(O)=O; C(C(=O)NCC(=O)O)N 2-(2-azanylethanoylamino)ethanoic acid
    21105 GG1
    CHEMBL496942
    DB07827
    ZINC000003815953    		 8 C26 H20 N2 O4 InChI=1S/C26H20N2O4/c1-27
    -23-15-12-19(9-5-8-18-6-3
    -2-4-7-18)16-22(23)24(29)
    28(26(27)32)17-20-10-13-2
    1(14-11-20)25(30)31/h2-4,
    6-7,10-16H,8,17H2,1H3,(H,
    30,31);
    FLTYDFYSVZBKOB-UHFFFAOYSA-N    		 CN1c2ccc(cc2C(=O)N(C1=O)Cc3ccc(cc3)C(=O)
    O)C#CCc4ccccc4; CN1C(=O)N(Cc2ccc(cc2)C(O
    )=O)C(=O)c3cc(ccc13)C#CCc4ccccc4; O=C(O)
    c1ccc(cc1)CN4C(=O)c3c(ccc(C#CCc2ccccc2)c
    3)N(C4=O)C    		 4-{[1-METHYL-2,4-DIOXO-6-(3-PHENYLPROP-1-YN-1-YL)-1,4-DIHYDROQUINAZOLIN-3(2H)-YL]METHYL}BENZOIC ACID
    21106 GG2
    CHEMBL231779
    DB06605
    ZINC000011677837    		 5 C25 H25 N5 O4 InChI=1S/C25H25N5O4/c1-34
    -19-11-9-18(10-12-19)30-2
    3-20(22(27-30)24(26)32)13
    -15-29(25(23)33)17-7-5-16
    (6-8-17)28-14-3-2-4-21(28
    )31/h5-12H,2-4,13-15H2,1H
    3,(H2,26,32);
    QNZCBYKSOIHPEH-UHFFFAOYSA-N    		 COc1ccc(cc1)n2nc(C(N)=O)c3CCN(C(=O)c23)c
    4ccc(cc4)N5CCCCC5=O; COc1ccc(cc1)n2c3c(c
    (n2)C(=O)N)CCN(C3=O)c4ccc(cc4)N5CCCCC5=O
    ; O=C5N(c4ccc(N3C(=O)c1c(c(nn1c2ccc(OC)c
    c2)C(=O)N)CC3)cc4)CCCC5    		 1-(4-METHOXYPHENYL)-7-OXO-6-[4-(2-OXOPIPERIDIN-1-YL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3,4-C]PYRIDINE-3-CARBOXAMIDE
    21107 GG3
    CHEMBL56073
    ZINC000002010268    		 4 C14 H25 N O7 P2 InChI=1S/C14H25NO7P2/c1-1
    5(11-6-5-9-13-7-3-2-4-8-1
    3)12-10-14(16,23(17,18)19
    )24(20,21)22/h2-4,7-8,16H
    ,5-6,9-12H2,1H3,(H2,17,18
    ,19)(H2,20,21,22);
    VFLFYDXGZMGUAF-UHFFFAOYSA-N    		 C[N@](CCCCc1ccccc1)CCC(O)(P(=O)(O)O)P(=O
    )(O)O; CN(CCCCc1ccccc1)CCC(O)([P](O)(O)=
    O)[P](O)(O)=O; CN(CCCCc1ccccc1)CCC(O)(P(
    =O)(O)O)P(=O)(O)O; O=P(O)(O)C(O)(P(=O)(O
    )O)CCN(C)CCCCc1ccccc1    		 {1-HYDROXY-3-[METHYL(4-PHENYLBUTYL)AMINO]PROPANE-1,1-DIYL}BIS(PHOSPHONIC ACID)
    21108 GG4
    ZINC000058632264    		 1 C37 H57 N7 O8 InChI=1S/C37H57N7O8/c1-5-
    11-25(30(45)35(49)39-23-1
    6-17-23)40-33(47)28-18-22
    -14-9-10-15-27(22)43(28)3
    6(50)31(37(2,3)4)42-34(48
    )29(21-12-7-6-8-13-21)41-
    32(46)26-19-24(20-38-26)4
    4(51)52/h19-23,25-31,45H,
    5-18H2,1-4H3,(H,39,49)(H,
    40,47)(H,41,46)(H,42,48)/
    t22-,25-,26+,27-,28-,29-,
    30+,31+/m0/s1;
    HXPWPXJRIXYIRJ-MGNUMPGCSA-N    		 O=C(NC(C(=O)NC(C(=O)N2C(C(=O)NC(C(O)C(=O
    )NC1CC1)CCC)CC3CCCCC23)C(C)(C)C)C4CCCCC4
    )C5N=CC([N+](=O)[O-])=C5; CCC[C@@H]([C@H
    ](C(=O)NC1CC1)O)NC(=O)[C@@H]2C[C@@H]3CCC
    C[C@@H]3N2C(=O)[C@H](C(C)(C)C)NC(=O)[C@H
    ](C4CCCCC4)NC(=O)C5C=C(C=N5)[N+](=O)[O-]
    ; CCC[CH](NC(=O)[CH]1C[CH]2CCCC[CH]2N1C(
    =O)[CH](NC(=O)[CH](NC(=O)[CH]3C=C(C=N3)[
    N+]([O-])=O)C4CCCCC4)C(C)(C)C)[CH](O)C(=
    O)NC5CC5; CCC[C@H](NC(=O)[C@@H]1C[C@@H]2
    CCCC[C@@H]2N1C(=O)[C@@H](NC(=O)[C@@H](NC
    (=O)[C@H]3C=C(C=N3)[N+]([O-])=O)C4CCCCC4
    )C(C)(C)C)[C@@H](O)C(=O)NC5CC5; CCCC(C(C
    (=O)NC1CC1)O)NC(=O)C2CC3CCCCC3N2C(=O)C(C
    (C)(C)C)NC(=O)C(C4CCCCC4)NC(=O)C5C=C(C=N
    5)[N+](=O)[O-]
    21109 GG5
    CHEMBL1233024
    DB07829
    ZINC000016052350    		 10 C14 H10 F N3 InChI=1S/C14H10FN3/c15-12
    -3-1-11(2-4-12)14-13(9-17
    -18-14)10-5-7-16-8-6-10/h
    1-9H,(H,17,18);
    BILJSHVAAVZERY-UHFFFAOYSA-N    		 c1cc(ccc1c2c(c[nH]n2)c3ccncc3)F; Fc3ccc(
    c2nncc2c1ccncc1)cc3; Fc1ccc(cc1)c2n[nH]c
    c2c3ccncc3    		 4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-4-YL]PYRIDINE
    21110 GG6 9 C3 H9 O5 P InChI=1S/C3H9O5P/c1-2(4)3
    (5)9(6,7)8/h2-5H,1H3,(H2,
    6,7,8)/t2-,3-/m0/s1;
    MXMXXUIOCREOTJ-HRFVKAFMSA-N    		 C[C@@H]([C@@H](O)P(=O)(O)O)O; CC(C(O)P(=
    O)(O)O)O; C[CH](O)[CH](O)[P](O)(O)=O; C[
    C@H](O)[C@@H](O)[P](O)(O)=O; O=P(O)(O)C(
    O)C(O)C    		 [(1S,2S)-1,2-DIHYDROXYPROPYL]PHOSPHONIC ACID
    21111 GG7
    ZINC000004090202    		 0 C2 H8 N O3 P InChI=1S/C2H8NO3P/c1-2(3)
    7(4,5)6/h2H,3H2,1H3,(H2,4
    ,5,6)/t2-/m1/s1;
    UIQSKEDQPSEGAU-UWTATZPHSA-N    		 C[C@H](N)P(=O)(O)O; CC(N)P(=O)(O)O; C[CH
    ](N)[P](O)(O)=O; O=P(O)(O)C(N)C; C[C@H](
    N)[P](O)(O)=O    		 [(1R)-1-AMINOETHYL]PHOSPHONIC ACID
    21112 GG8 1 C9 H10 F3 N O2 S InChI=1S/C9H10F3NO2S/c10-
    9(11,12)6-7-13-16(14,15)8
    -4-2-1-3-5-8/h1-5,13H,6-7
    H2;
    PCTNYPUVXBXHOS-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F; FC(F)(F)
    CCN[S](=O)(=O)c1ccccc1    		 ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
    21113 GG9
    ZINC000038798474    		 3 C10 H14 F2 O14 P2 InChI=1S/C10H14F2O14P2/c1
    1-8(12)10(9(16)17,26-28(2
    1,22)23)24-4-1-3(7(14)15)
    2-5(6(4)13)25-27(18,19)20
    /h2,4-6,8,13H,1H2,(H,14,1
    5)(H,16,17)(H2,18,19,20)(
    H2,21,22,23)/t4-,5-,6+,10
    +/m1/s1;
    OHXHNRRSMKIHDJ-VFWNUGQXSA-N    		 C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(
    O)O)O)O[C@](C(F)F)(C(=O)O)OP(=O)(O)O; O[
    C@H]1[C@@H](CC(=C[C@H]1O[P](O)(O)=O)C(O)
    =O)O[C@](O[P](O)(O)=O)(C(F)F)C(O)=O; O[C
    H]1[CH](CC(=C[CH]1O[P](O)(O)=O)C(O)=O)O[
    C](O[P](O)(O)=O)(C(F)F)C(O)=O; FC(F)C(OP
    (=O)(O)O)(OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)
    O)C(=O)O; C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)
    O)OC(C(F)F)(C(=O)O)OP(=O)(O)O    		 (3R,4S,5R)-5-[(1R)-1-CARBOXY-2,2-DIFLUORO-1-(PHOSPHONOOXY)ETHOXY]-4-HYDROXY-3-(PHOSPHONOOXY)CYCLOHEX-1-ENE-1-CARBOXYLIC ACID
    21114 GGA
    ZINC000058632268    		 2 C17 H37 N5 O9 P2 InChI=1S/C17H37N5O9P2/c1-
    13(22-15(23)7-6-14(19)17(
    25)26)16(24)21-12-32(27,3
    1-33(28,29)30)11-5-4-10-2
    0-9-3-2-8-18/h13-14,20H,2
    -12,18-19H2,1H3,(H,21,24)
    (H,22,23)(H,25,26)(H2,28,
    29,30)/t13-,14-,32-/m1/s1;
    GBZVPDJOUXPMNB-HPMPJWHZSA-N    		 C[C@@H](NC(=O)CC[C@@H](N)C(O)=O)C(=O)NC[
    P@@](=O)(CCCCNCCCCN)O[P](O)(O)=O; CC(C(=
    O)NCP(=O)(CCCCNCCCCN)OP(=O)(O)O)NC(=O)CC
    C(C(=O)O)N; C[CH](NC(=O)CC[CH](N)C(O)=O)
    C(=O)NC[P](=O)(CCCCNCCCCN)O[P](O)(O)=O;
    C[C@H](C(=O)NC[P@@](=O)(CCCCNCCCCN)OP(=O
    )(O)O)NC(=O)CC[C@H](C(=O)O)N; O=P(OP(=O)
    (O)O)(CNC(=O)C(NC(=O)CCC(C(=O)O)N)C)CCCC
    NCCCCN    		 D-GAMMA-GLUTAMYL-N-{[(R)-{4-[(4-AMINOBUTYL)AMINO]BUTYL}(PHOSPHONOOXY)PHOSPHORYL]METHYL}-D-ALANINAMIDE
    21115 GGB
    CHEMBL443732
    DB01833
    ZINC000003869452    		 31 C5 H12 N4 O3 InChI=1S/C5H12N4O3/c6-3(4
    (10)11)1-2-12-9-5(7)8/h3H
    ,1-2,6H2,(H,10,11)(H4,7,8
    ,9)/t3-/m0/s1;
    FSBIGDSBMBYOPN-VKHMYHEASA-N    		 O=C(O)C(N)CCONC(=[N@H])N; [H]N=C(N)NOCCC
    (C(=O)O)N; N[CH](CCONC(N)=N)C(O)=O; N[C@
    @H](CCONC(N)=N)C(O)=O; [H]/N=C(\N)/NOCC[
    C@@H](C(=O)O)N    		 L-CANAVANINE;
    L-2-AMINO-4-(GUANIDINOOXY)BUTYRIC ACID
    21116 GGC
    DB03885
    ZINC000012504001    		 2 C21 H25 N3 O6 S InChI=1S/C21H25N3O6S/c22-
    16(21(29)30)8-9-18(25)24-
    17(20(28)23-10-19(26)27)1
    2-31-11-14-6-3-5-13-4-1-2
    -7-15(13)14/h1-7,16-17H,8
    -12,22H2,(H,23,28)(H,24,2
    5)(H,26,27)(H,29,30)/t16-
    ,17-/m0/s1;
    IHZCIRSQSFPOLH-IRXDYDNUSA-N    		 N[C@@H](CCC(=O)N[C@@H](CSCc1cccc2ccccc12
    )C(=O)NCC(O)=O)C(O)=O; O=C(O)C(N)CCC(=O)
    NC(C(=O)NCC(=O)O)CSCc2cccc1ccccc12; c1cc
    c2c(c1)cccc2CSCC(C(=O)NCC(=O)O)NC(=O)CCC
    (C(=O)O)N; c1ccc2c(c1)cccc2CSC[C@@H](C(=
    O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N; N[CH
    ](CCC(=O)N[CH](CSCc1cccc2ccccc12)C(=O)NC
    C(O)=O)C(O)=O    		 1-MENAPHTHYL GLUTATHIONE CONJUGATE
    21117 GGD 0 C52 H94 O15 InChI=1S/C52H94O15/c1-3-5
    -7-9-11-13-15-17-19-21-23
    -25-27-29-31-33-35-44(56)
    64-40(38-62-43(55)34-32-3
    0-28-26-24-22-20-18-16-14
    -12-10-8-6-4-2)39-63-51-4
    9(61)50(46(58)42(37-54)65
    -51)67-52-48(60)47(59)45(
    57)41(36-53)66-52/h17-20,
    40-42,45-54,57-61H,3-16,2
    1-39H2,1-2H3/b19-17+,20-1
    8+/t40?,41-,42-,45-,46+,4
    7+,48-,49-,50+,51-,52+/m1
    /s1;
    OGKQOSUHVSQNSH-IQXSWRQFSA-N    		 CCCCCCCCC=CCCCCCCCCC(=O)O[CH](CO[CH]1O[C
    H](CO)[CH](O)[CH](O[CH]2O[CH](CO)[CH](O)
    [CH](O)[CH]2O)[CH]1O)COC(=O)CCCCCCCC=CCC
    CCCCCC; CCCCCCCC/C=C/CCCCCCCCC(=O)O[C@@H
    ](CO[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]1O)COC(=O)CCCCCCC\C=C\CCCCCCCC; CCCCC
    CCCC=CCCCCCCCCC(=O)OC(COC1C(C(C(C(O1)CO)
    O)OC2C(C(C(C(O2)CO)O)O)O)O)COC(=O)CCCCCC
    CC=CCCCCCCCC; CCCCCCCCC=CCCCCCCCCC(=O)OC
    (CO[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)O)COC(=O)CCCCCCCC=CCCCCCCCC; O=C(
    OCC(OC(=O)CCCCCCCC/C=C/CCCCCCCC)COC2OC(C
    O)C(O)C(OC1OC(C(O)C(O)C1O)CO)C2O)CCCCCCC
    /C=C/CCCCCCCC    		 NONADEC-10-ENOIC ACID 2-[3,4-DIHYDROXY-6-HYDROXYMETHYL-5-(3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-2-YLOXY)-TETRAHYDRO-PYRAN-2-YLOXY] -1-OCTADEC-9-ENOYLOXYMETHYL-ETHYL ESTER;
    GLUCOSYL-GALACTOSYL DIACYL-GLYCEROL
    21118 GGE
    ZINC000016697968    		 1 C17 H20 O6 InChI=1S/C17H20O6/c1-21-1
    3-5-3-4-6-14(13)23-16(10-
    18)17(20)11-7-8-12(19)15(
    9-11)22-2/h3-9,16-20H,10H
    2,1-2H3/t16-,17+/m1/s1;
    PPZSOILKWHVNNS-SJORKVTESA-N    		 COc1ccccc1O[CH](CO)[CH](O)c2ccc(O)c(OC)c
    2; COc1ccccc1OC(CO)C(c2ccc(c(c2)OC)O)O;
    COc1ccccc1O[C@H](CO)[C@H](c2ccc(c(c2)OC)
    O)O; O(c1ccccc1OC)C(CO)C(O)c2ccc(O)c(OC)
    c2; COc1ccccc1O[C@H](CO)[C@@H](O)c2ccc(O
    )c(OC)c2    		 (1S,2R)-1-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxyphenoxy)propane-1,3-diol
    21119 GGF
    CHEMBL2398349
    ZINC000096272035    		 1 C20 H22 F2 N10 O12 P2 InChI=1S/C20H22F2N10O12P2
    /c21-7-11-5(41-17(7)31-3-
    25-9-13(31)27-19(23)29-15
    (9)33)1-39-45(35,36)44-12
    -6(2-40-46(37,38)43-11)42
    -18(8(12)22)32-4-26-10-14
    (32)28-20(24)30-16(10)34/
    h3-8,11-12,17-18H,1-2H2,(
    H,35,36)(H,37,38)(H3,23,2
    7,29,33)(H3,24,28,30,34)/
    t5-,6-,7-,8-,11-,12-,17-,
    18-/m1/s1;
    RKBIDRCIXOIYKC-MJIGAOGXSA-N    		 c1nc2c(n1C3C(C4C(O3)COP(=O)(OC5C(COP(=O)
    (O4)O)OC(C5F)n6cnc7c6N=C(NC7=O)N)O)F)N=C
    (NC2=O)N; c1nc2c(n1[C@H]3[C@@H]([C@H]4[C
    @H](O3)COP(=O)(O[C@@H]5[C@@H](COP(=O)(O4
    )O)O[C@H]([C@@H]5F)n6cnc7c6N=C(NC7=O)N)O
    )F)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH
    ]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[
    CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)
    NC(=Nc67)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3
    O[C@@H]4CO[P](O)(=O)O[C@H]5[C@@H](F)[C@@
    H](O[C@@H]5CO[P](O)(=O)O[C@H]4[C@H]3F)n6
    cnc7C(=O)NC(=Nc67)N    		 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one
    21120 GGG
    CHEMBL54278
    ZINC000001678871    		 6 C6 H11 N3 O4 InChI=1S/C6H11N3O4/c7-1-4
    (10)8-2-5(11)9-3-6(12)13/
    h1-3,7H2,(H,8,10)(H,9,11)
    (H,12,13);
    XKUKSGPZAADMRA-UHFFFAOYSA-N    		 C(C(=O)NCC(=O)NCC(=O)O)N; O=C(NCC(=O)O)C
    NC(=O)CN; NCC(=O)NCC(=O)NCC(O)=O    		 glycylglycylglycine
    21121 GGH
    ZINC000034778327    		 3 C11 H18 N5 O12 P3 InChI=1S/C11H18N5O12P3/c1
    2-11-14-9-8(10(18)15-11)1
    3-3-16(9)7-1-5(17)6(27-7)
    2-26-31(24,25)28-30(22,23
    )4-29(19,20)21/h3,5-7,17H
    ,1-2,4H2,(H,22,23)(H,24,2
    5)(H2,19,20,21)(H3,12,14,
    15,18)/t5-,6+,7+/m0/s1;
    QEUKZZGYDFTBEI-RRKCRQDMSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](C
    O[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O3; c
    1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@@](=
    O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)N=C(NC2=O
    )N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)
    [C@@H](CO[P@](O)(=O)O[P@@](O)(=O)C[P](O)
    (O)=O)O3; O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC
    3OC(n2cnc1c2N=C(N)NC1=O)CC3O; c1nc2c(n1C
    3CC(C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O
    )N=C(NC2=O)N    		 2'-DEOXY-5'-O-(HYDROXY{[HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]OXY}PHOSPHORYL)GUANOSINE
    21122 GGI 3 C41 H48 N8 O6 S InChI=1S/C41H48N8O6S/c42-
    26-31-6-8-32(9-7-31)27-43
    -40(52)36-24-29-10-14-33(
    15-11-29)44-38(50)18-19-4
    8-20-22-49(23-21-48)28-39
    (51)45-34-16-12-30(13-17-
    34)25-37(41(53)46-36)47-5
    6(54,55)35-4-2-1-3-5-35/h
    1-17,36-37,47H,18-28,42H2
    ,(H,43,52)(H,44,50)(H,45,
    51)(H,46,53)/t36-,37+/m0/
    s1;
    SQSMWNRDSJSLTQ-PQQNNWGCSA-N    		 c1ccc(cc1)S(=O)(=O)N[C@@H]2Cc3ccc(cc3)NC
    (=O)CN4CCN(CCC(=O)Nc5ccc(cc5)C[C@H](NC2=
    O)C(=O)NCc6ccc(cc6)CN)CC4; NCc1ccc(CNC(=
    O)[CH]2Cc3ccc(NC(=O)CCN4CCN(CC4)CC(=O)Nc
    5ccc(C[CH](N[S](=O)(=O)c6ccccc6)C(=O)N2)
    cc5)cc3)cc1; c1ccc(cc1)S(=O)(=O)NC2Cc3cc
    c(cc3)NC(=O)CN4CCN(CCC(=O)Nc5ccc(cc5)CC(
    NC2=O)C(=O)NCc6ccc(cc6)CN)CC4; NCc1ccc(c
    c1)CNC(=O)C1NC(=O)C(NS(=O)(=O)c2ccccc2)C
    c2ccc(NC(=O)CN3CCN(CCC(=O)Nc4ccc(C1)cc4)
    CC3)cc2; NCc1ccc(CNC(=O)[C@@H]2Cc3ccc(NC
    (=O)CCN4CCN(CC4)CC(=O)Nc5ccc(C[C@@H](N[S
    ](=O)(=O)c6ccccc6)C(=O)N2)cc5)cc3)cc1    		 (5S,8R,18S,21R)-N-{[4-(aminomethyl)phenyl]methyl}-21-[(benzenesulfonyl)amino]-3,11,20-trioxo-2,5,8,12,19-pentaazatetracyclo[21.2.2.2~5,8~.2~13,16~]hentriaconta-1(25),13,15,23,26,28-hexaene-18-carboxamide
    21123 GGJ
    CHEMBL3804971
    ZINC000584905557    		 1 C22 H20 N4 O InChI=1S/C22H20N4O/c1-27-
    19-10-8-14(9-11-19)21-20(
    22(24)26-25-21)17-6-2-4-1
    5(12-17)16-5-3-7-18(23)13
    -16/h2-13H,23H2,1H3,(H3,2
    4,25,26);
    NUTSYDYCFJFYDE-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4c
    ccc(c4)N; COc1ccc(cc1)c2n[nH]c(N)c2c3ccc
    c(c3)c4cccc(N)c4; O(C)c1ccc(cc1)c4c(c3cc
    (c2cccc(c2)N)ccc3)c(nn4)N    		 4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine
    21124 GGK 1 C13 H15 F3 N2 O4 S2 InChI=1S/C13H15F3N2O4S2/c
    1-23(19,20)17-9-2-3-11-4-
    6-12(7-5-11)24(21,22)18-1
    0-8-13(14,15)16/h4-7,17-1
    8H,8-10H2,1H3;
    KTWYMVDMYCUUFA-UHFFFAOYSA-N    		 C[S](=O)(=O)NCC#Cc1ccc(cc1)[S](=O)(=O)NC
    CC(F)(F)F; CS(=O)(=O)NCC#Cc1ccc(cc1)S(=O
    )(=O)NCCC(F)(F)F    		 4-[3-(methylsulfonylamino)prop-1-ynyl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
    21125 GGL
    CHEMBL575060
    DB00142
    ZINC000001482113    		 22 C5 H9 N O4 InChI=1S/C5H9NO4/c6-3(5(9
    )10)1-2-4(7)8/h3H,1-2,6H2
    ,(H,7,8)(H,9,10)/t3-/m0/s
    1;
    WHUUTDBJXJRKMK-VKHMYHEASA-N    		 O=C(O)C(N)CCC(=O)O; C(CC(=O)O)C(C(=O)O)N
    ; C(CC(=O)O)[C@@H](C(=O)O)N; N[C@@H](CCC
    (O)=O)C(O)=O; N[CH](CCC(O)=O)C(O)=O    		 GAMMA-L-GLUTAMIC ACID;
    L-GLUTAMIC ACID
    21126 GGM
    CHEMBL398768
    ZINC000049792033    		 2 C18 H24 N7 O14 P3 InChI=1S/C18H24N7O14P3/c1
    -20-9-5-3-2-4-8(9)17(28)3
    8-13-10(6-36-42(34,35)39-
    41(32,33)24-40(29,30)31)3
    7-16(12(13)26)25-7-21-11-
    14(25)22-18(19)23-15(11)2
    7/h2-5,7,10,12-13,16,20,2
    6H,6H2,1H3,(H,34,35)(H3,1
    9,22,23,27)(H4,24,29,30,3
    1,32,33)/t10-,12-,13-,16-
    /m1/s1;
    ZGTKZICAFACDSP-XNIJJKJLSA-N    		 CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@
    H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)O[
    P@](=O)(NP(=O)(O)O)O; CNc1ccccc1C(=O)O[C
    @H]2[C@@H](O)[C@@H](O[C@@H]2CO[P](O)(=O)
    O[P](O)(=O)N[P](O)(O)=O)n3cnc4C(=O)NC(=N
    c34)N; CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](
    O[CH]2CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=
    O)n3cnc4C(=O)NC(=Nc34)N; CNc1ccccc1C(=O)
    OC2C(OC(C2O)n3cnc4c3N=C(NC4=O)N)COP(=O)(
    O)OP(=O)(NP(=O)(O)O)O; O=P(O)(O)NP(=O)(O
    )OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O
    )C4OC(=O)c3ccccc3NC    		 3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate;
    MANT-GMPPNP
    21127 GGN 1 C21 H20 F3 N3 O S InChI=1S/C21H20F3N3OS/c1-
    2-3-17-12-16(8-10-25-17)2
    0-27-18(13-29-20)14-4-6-1
    5(7-5-14)19(28)26-11-9-21
    (22,23)24/h4-8,10,12-13H,
    2-3,9,11H2,1H3,(H,26,28);
    QQMRZMWCFAMSQQ-UHFFFAOYSA-N    		 CCCc1cc(ccn1)c2scc(n2)c3ccc(cc3)C(=O)NCC
    C(F)(F)F; CCCc1cc(ccn1)c2nc(cs2)c3ccc(cc
    3)C(=O)NCCC(F)(F)F    		 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
    21128 GGO
    CHEMBL225210
    DB07830
    ZINC000014958799    		 1 C20 H19 F3 N2 O3 InChI=1S/C20H19F3N2O3/c21
    -14-8-16(23)15(22)6-12(14
    )13-7-20(26)25(9-17(13)24
    )4-3-11-1-2-18-19(5-11)28
    -10-27-18/h1-2,5-6,8,13,1
    7H,3-4,7,9-10,24H2/t13-,1
    7+/m1/s1;
    DIRIFWIKLRTNMB-DYVFJYSZSA-N    		 N[CH]1CN(CCc2ccc3OCOc3c2)C(=O)C[CH]1c4cc
    (F)c(F)cc4F; c1cc2c(cc1CCN3C[C@@H]([C@H]
    (CC3=O)c4cc(c(cc4F)F)F)N)OCO2; Fc1cc(c(F
    )cc1F)C2CC(=O)N(CC2N)CCc3ccc4OCOc4c3; N[
    C@H]1CN(CCc2ccc3OCOc3c2)C(=O)C[C@@H]1c4c
    c(F)c(F)cc4F; c1cc2c(cc1CCN3CC(C(CC3=O)c
    4cc(c(cc4F)F)F)N)OCO2    		 (4R,5R)-5-AMINO-1-[2-(1,3-BENZODIOXOL-5-YL)ETHYL]-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-2-ONE
    21129 GGP
    DB03208
    ZINC000169301047    		 1 C41 H32 O26 InChI=1S/C41H32O26/c42-17
    -1-12(2-18(43)28(17)52)36
    (57)62-11-27-33(64-37(58)
    13-3-19(44)29(53)20(45)4-
    13)34(65-38(59)14-5-21(46
    )30(54)22(47)6-14)35(66-3
    9(60)15-7-23(48)31(55)24(
    49)8-15)41(63-27)67-40(61
    )16-9-25(50)32(56)26(51)1
    0-16/h1-10,27,33-35,41-56
    H,11H2/t27-,33+,34-,35-,4
    1-/m0/s1;
    QJYNZEYHSMRWBK-CGKDMBANSA-N    		 O=C(OC4OC(C(OC(=O)c1cc(O)c(O)c(O)c1)C(OC
    (=O)c2cc(O)c(O)c(O)c2)C4OC(=O)c3cc(O)c(O
    )c(O)c3)COC(=O)c5cc(O)c(O)c(O)c5)c6cc(O)
    c(O)c(O)c6; Oc1cc(cc(O)c1O)C(=O)OC[CH]2O
    [CH](OC(=O)c3cc(O)c(O)c(O)c3)[CH](OC(=O)
    c4cc(O)c(O)c(O)c4)[CH](OC(=O)c5cc(O)c(O)
    c(O)c5)[CH]2OC(=O)c6cc(O)c(O)c(O)c6; Oc1
    cc(cc(O)c1O)C(=O)OC[C@@H]2O[C@@H](OC(=O)
    c3cc(O)c(O)c(O)c3)[C@@H](OC(=O)c4cc(O)c(
    O)c(O)c4)[C@@H](OC(=O)c5cc(O)c(O)c(O)c5)
    [C@@H]2OC(=O)c6cc(O)c(O)c(O)c6; c1c(cc(c
    (c1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)c3cc(
    c(c(c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(
    =O)c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O
    )O)O; c1c(cc(c(c1O)O)O)C(=O)OC[C@H]2[C@H
    ]([C@@H]([C@@H]([C@@H](O2)OC(=O)c3cc(c(c
    (c3)O)O)O)OC(=O)c4cc(c(c(c4)O)O)O)OC(=O)
    c5cc(c(c(c5)O)O)O)OC(=O)c6cc(c(c(c6)O)O)
    O    		 BETA-1,2,3,4,6-PENTA-O-GALLOYL-D-GLUCOPYRANOSE
    21130 GGQ
    CHEMBL5194817    		 1 C17 H21 F3 N4 O S InChI=1S/C17H21F3N4OS/c1-
    10-14(11(2)25)12(3-4-17(1
    8,19)20)15(22-10)13-9-26-
    16(23-13)24-7-5-21-6-8-24
    /h9,21-22H,3-8H2,1-2H3;
    MWUAUINBVTULOI-UHFFFAOYSA-N    		 CC(=O)c1c(C)[nH]c(c1CCC(F)(F)F)c2csc(n2)
    N3CCNCC3; Cc1c(c(c([nH]1)c2csc(n2)N3CCNC
    C3)CCC(F)(F)F)C(=O)C    		 1-[2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-4-[3,3,3-tris(fluoranyl)propyl]-1~{H}-pyrrol-3-yl]ethanone
    21131 GGS 10 C20 H36 O6 P2 S InChI=1S/C20H36O6P2S/c1-1
    7(2)9-6-10-18(3)11-7-12-1
    9(4)13-8-14-20(5)15-16-29
    -28(24,25)26-27(21,22)23/
    h9,11,13,15H,6-8,10,12,14
    ,16H2,1-5H3,(H,24,25)(H2,
    21,22,23)/b18-11+,19-13?,
    20-15-;
    BUSOKXFDTDWPOS-OGGZDJOISA-N    		 CC(=CCCC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O)(
    O)O)C)C)C)C; CC(C)=CCCC(C)=CCCC(C)=CCCC(
    C)=CCS[P](O)(=O)O[P](O)(O)=O; CC(C)=CCCC
    (/C)=C/CC/C(C)=C/CCC(\C)=C/CS[P](O)(=O)O
    [P](O)(O)=O; CC(=CCC/C(=C/CCC(=CCCC(=CCS
    [P@@](=O)(O)OP(=O)(O)O)C)C)/C)C    		 phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid
    21132 GGT
    CHEMBL1171076
    ZINC000169363568    		 0 C42 H52 O20 InChI=1S/C42H52O20/c1-15-
    10-20-27(31(48)29-28(32(2
    0)51-7)22(11-21(45)30(29)
    47)58-25-13-38(6,49)35(16
    (2)55-25)57-19(5)44)33-26
    (15)34-36-41(60-33,39(14-
    54-39)42(61-34,62-36)37(5
    2-8)53-9)59-24-12-23(46)4
    0(50,17(3)43)18(4)56-24/h
    10,16,18,21-25,34-37,45-4
    6,48-50H,11-14H2,1-9H3/t1
    6-,18-,21-,22-,23+,24-,25
    -,34-,35+,36-,38+,39-,40+
    ,41+,42-/m0/s1;
    VVCYZYSLUSSELI-NVJOEFDOSA-N    		 O=C(OC1C(O)(C)CC(OC1C)OC9c5c(c(O)c4c3OC8
    (OC2OC(C)C(O)(C(=O)C)C(O)C2)C6OC(OC6c3c(
    cc4c5OC)C)(C(OC)OC)C87OC7)C(=O)C(O)C9)C;
    COC(OC)[C@]12O[C@@H]3[C@H](O1)[C@@](O[C
    @H]4C[C@@H](O)[C@](O)([C@H](C)O4)C(C)=O)
    (Oc5c3c(C)cc6c(OC)c7[C@H](C[C@H](O)C(=O)
    c7c(O)c56)O[C@H]8C[C@@](C)(O)[C@H](OC(C)
    =O)[C@H](C)O8)[C@@]29CO9; Cc1cc2c(c(c3c(
    c2OC)C(CC(C3=O)O)OC4CC(C(C(O4)C)OC(=O)C)
    (C)O)O)c5c1C6C7C(O5)(C8(CO8)C(O6)(O7)C(O
    C)OC)OC9CC(C(C(O9)C)(C(=O)C)O)O; COC(OC)
    [C]12O[CH]3[CH](O1)[C](O[CH]4C[CH](O)[C]
    (O)([CH](C)O4)C(C)=O)(Oc5c3c(C)cc6c(OC)c
    7[CH](C[CH](O)C(=O)c7c(O)c56)O[CH]8C[C](
    C)(O)[CH](OC(C)=O)[CH](C)O8)[C]29CO9; Cc
    1cc2c(c(c3c(c2OC)[C@H](C[C@@H](C3=O)O)O[
    C@H]4C[C@@]([C@@H]([C@@H](O4)C)OC(=O)C)(
    C)O)O)c5c1[C@H]6[C@H]7[C@@](O5)([C@@]8(C
    O8)[C@@](O6)(O7)C(OC)OC)O[C@H]9C[C@H]([C
    @]([C@@H](O9)C)(C(=O)C)O)O    		 Trioxacarcin A;
    (1S,2R,3aS,4S,8S,10S,13aS)-13a-[(4-C-acetyl-2,6-dideoxy-alpha-L-xylo-hexopyranosyl)oxy]-2-(dimethoxymethyl)-10,12-dihydroxy-7-methoxy-5-methyl-11-oxo-3a,8,9,10,11,13a-hexahydro-4H-spiro[2,4-epoxyfuro[3,2-b]naphtho[2,3-h]chromene-1,2'-oxiran]-8-yl 4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-xylo-hexopyranoside
    21133 GGU
    CHEMBL5177096    		 1 C16 H13 N3 O InChI=1S/C16H13N3O/c17-16
    -13(11-6-2-1-3-7-11)10-14
    (18-19-16)12-8-4-5-9-15(1
    2)20/h1-10,20H,(H2,17,19);
    SDAWPVIWTVUTCC-UHFFFAOYSA-N    		 Oc1ccccc1c1cc(c(N)nn1)c1ccccc1; Nc1nnc(c
    c1c2ccccc2)c3ccccc3O; c1ccc(cc1)c2cc(nnc
    2N)c3ccccc3O    		 2-(6-amino-5-phenylpyridazin-3-yl)phenol
    21134 GGV
    ZINC000150343435    		 2 C49 H63 N7 O7 InChI=1S/C49H63N7O7/c1-47
    (2,3)41(54-45(60)63-9)43(
    58)52-36(28-33-21-23-34(2
    4-22-33)37-19-13-14-25-50
    -37)30-39(57)38(29-32-16-
    11-10-12-17-32)53-44(59)4
    2(48(4,5)6)56-27-26-55(46
    (56)61)31-35-18-15-20-40(
    51-35)49(7,8)62/h10-27,36
    ,38-39,41-42,57,62H,28-31
    H2,1-9H3,(H,52,58)(H,53,5
    9)(H,54,60)/t36-,38+,39+,
    41-,42-/m1/s1;
    DGOQHVJXKUNDDW-MTXKAQRHSA-N    		 COC(=O)N[C@H](C(=O)N[C@@H](C[C@H](O)[C@H
    ](Cc1ccccc1)NC(=O)[C@@H](N2C=CN(Cc3cccc(
    n3)C(C)(C)O)C2=O)C(C)(C)C)Cc4ccc(cc4)c5c
    cccn5)C(C)(C)C; O=C(OC)NC(C(=O)NC(Cc2ccc
    (c1ncccc1)cc2)CC(O)C(NC(=O)C(N3C=CN(C3=O
    )Cc4nc(ccc4)C(O)(C)C)C(C)(C)C)Cc5ccccc5)
    C(C)(C)C; CC(C)(C)[C@@H](C(=O)N[C@H](Cc1
    ccc(cc1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3
    )NC(=O)[C@H](C(C)(C)C)N4C=CN(C4=O)Cc5ccc
    c(n5)C(C)(C)O)O)NC(=O)OC; CC(C)(C)C(C(=O
    )NC(Cc1ccc(cc1)c2ccccn2)CC(C(Cc3ccccc3)N
    C(=O)C(C(C)(C)C)N4C=CN(C4=O)Cc5cccc(n5)C
    (C)(C)O)O)NC(=O)OC; COC(=O)N[CH](C(=O)N[
    CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)[CH](N2
    C=CN(Cc3cccc(n3)C(C)(C)O)C2=O)C(C)(C)C)C
    c4ccc(cc4)c5ccccn5)C(C)(C)C
    21135 GGW
    ZINC000058626855    		 2 C39 H53 N5 O7 InChI=1S/C39H53N5O7/c1-38
    (2,3)32(43-36(48)50-7)34(
    46)41-28(22-26-17-19-27(2
    0-18-26)29-16-12-13-21-40
    -29)24-31(45)30(23-25-14-
    10-9-11-15-25)42-35(47)33
    (39(4,5)6)44-37(49)51-8/h
    9-21,28,30-33,45H,22-24H2
    ,1-8H3,(H,41,46)(H,42,47)
    (H,43,48)(H,44,49)/t28-,3
    0-,31-,32+,33+/m0/s1;
    GFEQPJLSPPMUEG-VYIXFUBHSA-N    		 CC(C)(C)C(C(=O)NC(Cc1ccc(cc1)c2ccccn2)CC
    (C(Cc3ccccc3)NC(=O)C(C(C)(C)C)NC(=O)OC)O
    )NC(=O)OC; COC(=O)N[C@H](C(=O)N[C@H](C[C
    @H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O
    )OC)C(C)(C)C)Cc2ccc(cc2)c3ccccn3)C(C)(C)
    C; CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccc(cc
    1)c2ccccn2)C[C@@H]([C@H](Cc3ccccc3)NC(=O
    )[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC; COC
    (=O)N[CH](C(=O)N[CH](C[CH](O)[CH](Cc1ccc
    cc1)NC(=O)[CH](NC(=O)OC)C(C)(C)C)Cc2ccc(
    cc2)c3ccccn3)C(C)(C)C; O=C(OC)NC(C(=O)NC
    (Cc1ccccc1)C(O)CC(NC(=O)C(NC(=O)OC)C(C)(
    C)C)Cc3ccc(c2ncccc2)cc3)C(C)(C)C    		 methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate
    21136 GGX
    ZINC000098208938    		 8 C47 H59 N7 O6 InChI=1S/C47H59N7O6/c1-31
    -15-14-18-35(49-31)30-53-
    25-26-54(45(53)59)41(47(5
    ,6)7)43(57)51-38(28-32-16
    -10-9-11-17-32)39(55)29-3
    6(50-42(56)40(46(2,3)4)52
    -44(58)60-8)27-33-20-22-3
    4(23-21-33)37-19-12-13-24
    -48-37/h9-26,36,38-41,55H
    ,27-30H2,1-8H3,(H,50,56)(
    H,51,57)(H,52,58)/t36-,38
    +,39+,40-,41-/m1/s1;
    BTNNHZWTVQDFCK-YPINIOOUSA-N    		 Cc1cccc(n1)CN2C=CN(C2=O)C(C(=O)NC(Cc3ccc
    cc3)C(CC(Cc4ccc(cc4)c5ccccn5)NC(=O)C(C(C
    )(C)C)NC(=O)OC)O)C(C)(C)C; Cc1cccc(n1)CN
    2C=CN(C2=O)[C@H](C(=O)N[C@@H](Cc3ccccc3)
    [C@H](C[C@@H](Cc4ccc(cc4)c5ccccn5)NC(=O)
    [C@H](C(C)(C)C)NC(=O)OC)O)C(C)(C)C; O=C(
    OC)NC(C(=O)NC(Cc2ccc(c1ncccc1)cc2)CC(O)C
    (NC(=O)C(N3C=CN(C3=O)Cc4nc(ccc4)C)C(C)(C
    )C)Cc5ccccc5)C(C)(C)C; COC(=O)N[C@H](C(=
    O)N[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O
    )[C@@H](N2C=CN(Cc3cccc(C)n3)C2=O)C(C)(C)
    C)Cc4ccc(cc4)c5ccccn5)C(C)(C)C; COC(=O)N
    [CH](C(=O)N[CH](C[CH](O)[CH](Cc1ccccc1)N
    C(=O)[CH](N2C=CN(Cc3cccc(C)n3)C2=O)C(C)(
    C)C)Cc4ccc(cc4)c5ccccn5)C(C)(C)C
    21137 GGY
    CHEMBL2042135
    ZINC000084655247    		 1 C24 H25 F3 N4 O2 S InChI=1S/C24H25F3N4O2S/c1
    -14(6-7-24(25,26)27)33-20
    -10-16(4-5-18(20)23(29)32
    )19-9-17(11-30-22(19)28)2
    1-8-15(13-34-21)12-31(2)3
    /h4-11,13-14H,12H2,1-3H3,
    (H2,28,30)(H2,29,32)/b7-6
    -/t14-/m1/s1;
    LLEOOSLUHRQCHZ-LMVHVUTASA-N    		 CC(C=CC(F)(F)F)Oc1cc(ccc1C(=O)N)c2cc(cnc
    2N)c3cc(cs3)CN(C)C; C[C@@H](Oc1cc(ccc1C(
    N)=O)c2cc(cnc2N)c3scc(CN(C)C)c3)\C=C/C(F
    )(F)F; C[C@H](/C=C\C(F)(F)F)Oc1cc(ccc1C(
    =O)N)c2cc(cnc2N)c3cc(cs3)CN(C)C; FC(F)(F
    )/C=C\C(Oc1c(C(=O)N)ccc(c1)c3cc(c2scc(c2
    )CN(C)C)cnc3N)C; C[CH](Oc1cc(ccc1C(N)=O)
    c2cc(cnc2N)c3scc(CN(C)C)c3)C=CC(F)(F)F    		 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{[(1R,2Z)-4,4,4-TRIFLUORO-1-METHYLBUT-2-EN-1-YL]OXY}BENZAMIDE
    21138 GGZ
    ZINC000039322404    		 1 C10 H13 N5 O12 P2 S InChI=1S/C10H13N5O12P2S/c
    11-8-5-9(13-2-12-8)15(3-1
    4-5)10-7-6(25-29(18,19)26
    -7)4(24-10)1-23-28(16,17)
    27-30(20,21)22/h2-4,6-7,1
    0H,1H2,(H,16,17)(H,18,19)
    (H2,11,12,13)(H,20,21,22)
    /t4-,6-,7-,10-/m1/s1;
    BOTWXJFMSRDLBQ-KQYNXXCUSA-N    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(
    =O)O[S](O)(=O)=O)[C@H]4O[P@@](O)(=O)O[C@
    @H]34; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](
    O)(=O)O[S](O)(=O)=O)[CH]4O[P](O)(=O)O[CH
    ]34; c1nc(c2c(n1)n(cn2)[C@H]3[C@H]4[C@@H
    ]([C@H](O3)CO[P@@](=O)(O)OS(=O)(=O)O)O[P
    @@](=O)(O4)O)N; c1nc(c2c(n1)n(cn2)C3C4C(
    C(O3)COP(=O)(O)OS(=O)(=O)O)OP(=O)(O4)O)N
    ; O=P3(OC4C(OC(n1c2ncnc(N)c2nc1)C4O3)COP
    (=O)(O)OS(=O)(=O)O)O    		 (2S,3AR,4R,6R,6AR)-4-(6-AMINO-9H-PURIN-9-YL)-6-({[(R)-HYDROXY(SULFOOXY)PHOSPHORYL]OXY}METHYL)TETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-2-OL 2-OXIDE
    21139 GH0
    CHEMBL341858
    ZINC000003860168    		 4 C2 H7 N O4 S InChI=1S/C2H7NO4S/c3-1-2-
    7-8(4,5)6/h1-3H2,(H,4,5,6
    );
    WSYUEVRAMDSJKL-UHFFFAOYSA-N    		 NCCO[S](O)(=O)=O; C(COS(=O)(=O)O)N 2-azanylethyl hydrogen sulfate
    21140 GH1 1 C19 H17 N O5 S InChI=1S/C19H17NO5S/c1-24
    -15-4-2-3-13(10-15)16(21)
    11-25-14-7-5-12(6-8-14)9-
    17-18(22)20-19(23)26-17/h
    2-8,10,17H,9,11H2,1H3,(H,
    20,22,23)/t17-/m0/s1;
    YAUMOGALQJYOJQ-KRWDZBQOSA-N    		 c1(ccc(cc1)CC2C(NC(=O)S2)=O)OCC(c3cccc(O
    C)c3)=O; COc1cccc(c1)C(=O)COc2ccc(cc2)CC
    3C(=O)NC(=O)S3; COc1cccc(c1)C(=O)COc2ccc
    (C[C@@H]3SC(=O)NC3=O)cc2; COc1cccc(c1)C(
    =O)COc2ccc(C[CH]3SC(=O)NC3=O)cc2    		 (5S)-5-({4-[2-(3-methoxyphenyl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
    21141 GH2 1 C17 H17 F3 N2 O3 S InChI=1S/C17H17F3N2O3S/c1
    -2-25-15(23)9-14-22-13(10
    -26-14)11-3-5-12(6-4-11)1
    6(24)21-8-7-17(18,19)20/h
    3-6,10H,2,7-9H2,1H3,(H,21
    ,24);
    BTOQSHVHCYLPJO-UHFFFAOYSA-N    		 CCOC(=O)Cc1nc(cs1)c2ccc(cc2)C(=O)NCCC(F)
    (F)F; CCOC(=O)Cc1scc(n1)c2ccc(cc2)C(=O)N
    CCC(F)(F)F    		 ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylcarbamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
    21142 GH3
    CHEMBL480707
    ZINC000031430873    		 23 C10 H16 N5 O13 P3 InChI=1S/C10H16N5O13P3/c1
    1-10-13-7-6(8(17)14-10)12
    -3-15(7)9-5(16)1-4(26-9)2
    -25-30(21,22)28-31(23,24)
    27-29(18,19)20/h3-5,9,16H
    ,1-2H2,(H,21,22)(H,23,24)
    (H2,18,19,20)(H3,11,13,14
    ,17)/t4-,5+,9+/m0/s1;
    QGYIFQKZZSSUCR-OBXARNEKSA-N    		 c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)CO[P@](=
    O)(O)O[P@](=O)(O)OP(=O)(O)O)O)N=C(NC2=O)
    N; O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2c
    nc1c2N=C(N)NC1=O)C(O)C3; NC1=Nc2n(cnc2C(
    =O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)
    O[P](O)(O)=O)C[CH]3O; NC1=Nc2n(cnc2C(=O)
    N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)
    (=O)O[P](O)(O)=O)C[C@H]3O; c1nc2c(n1C3C(
    CC(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N=
    C(NC2=O)N    		 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE
    21143 GH4 1 C21 H19 F N4 O3 InChI=1S/C21H19FN4O3/c22-
    17-12-24-20(11-23)25-21(1
    7)26(8-9-27-16-4-2-1-3-5-
    16)13-15-6-7-18-19(10-15)
    29-14-28-18/h1-7,10-12,23
    H,8-9,13-14H2/b23-11+;
    WKKCNOKGPKWFJS-FOKLQQMPSA-N    		 c1ccc(cc1)OCCN(Cc2ccc3c(c2)OCO3)c4c(cnc(
    n4)C=N)F; [H]/N=C/c1ncc(c(n1)N(CCOc2cccc
    c2)Cc3ccc4c(c3)OCO4)F; Fc1cnc(C=N)nc1N(C
    COc2ccccc2)Cc3ccc4OCOc4c3    		 4-[1,3-benzodioxol-5-ylmethyl(2-phenoxyethyl)amino]-5-fluoropyrimidine-2-carbonitrile
    21144 GH5
    CHEMBL1945813    		 1 C17 H18 F3 N3 O2 InChI=1S/C17H18F3N3O2/c18
    -17(19,20)9-6-14(24)23-10
    -7-13(8-11-23)16-21-15(22
    -25-16)12-4-2-1-3-5-12/h1
    -5,13H,6-11H2;
    ROEPMLPFAFHQCH-UHFFFAOYSA-N    		 c1ccc(cc1)c2nc(on2)C3CCN(CC3)C(=O)CCC(F)
    (F)F; FC(F)(F)CCC(=O)N1CCC(CC1)c2onc(n2)
    c3ccccc3    		 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
    21145 GH6 4 C19 H14 Cl2 N2 O3 InChI=1S/C19H14Cl2N2O3/c2
    0-14-8-9-15(26-11-12-5-2-
    1-3-6-12)16(21)17(14)23-1
    8-13(19(24)25)7-4-10-22-1
    8/h1-10H,11H2,(H,22,23)(H
    ,24,25);
    AYGDOYFDJDUPSS-UHFFFAOYSA-N    		 c1ccc(cc1)COc2ccc(c(c2Cl)Nc3c(cccn3)C(=O
    )O)Cl; OC(=O)c1cccnc1Nc2c(Cl)ccc(OCc3ccc
    cc3)c2Cl    		 2-[[2,6-bis(chloranyl)-3-phenylmethoxy-phenyl]amino]pyridine-3-carboxylic acid
    21146 GH7 0 C6 H9 N O4 InChI=1S/C6H9NO4/c8-5(9)4
    -3-1-2-10-6(3)11-7-4/h3-4
    ,6-7H,1-2H2,(H,8,9)/t3-,4
    +,6+/m1/s1;
    AHDAIGARUALBIP-IWGUZYHVSA-N    		 C1CO[C@@H]2[C@H]1[C@H](NO2)C(=O)O; C1COC
    2C1C(NO2)C(=O)O; N1C(C2C(O1)OCC2)C(O)=O;
    OC(=O)[C@H]1NO[C@@H]2OCC[C@H]12; OC(=O)
    [CH]1NO[CH]2OCC[CH]12    		 (3S,3aR,6aS)-hexahydrofuro[3,2-d][1,2]oxazole-3-carboxylic acid
    21147 GH8 1 C30 H32 N2 O3 InChI=1S/C30H32N2O3/c1-21
    (2)32-16-14-30(15-17-32)1
    9-27(33)26-18-25(12-13-28
    (26)35-30)23-8-10-24(11-9
    -23)29(34)31-20-22-6-4-3-
    5-7-22/h3-13,18,21H,14-17
    ,19-20H2,1-2H3,(H,31,34);
    ZNZGCTIEADJNIM-UHFFFAOYSA-N    		 CC(C)N1CCC2(CC1)CC(=O)c3cc(ccc3O2)c4ccc(
    cc4)C(=O)NCc5ccccc5    		 4-(4-oxidanylidene-1'-propan-2-yl-spiro[3~{H}-chromene-2,4'-piperidine]-6-yl)-~{N}-(phenylmethyl)benzamide
    21148 GH9
    DB02924
    ZINC000002545304    		 2 C10 H16 O InChI=1S/C10H16O/c1-7(2)8
    -4-5-10(3)9(6-8)11-10/h8-
    9H,1,4-6H2,2-3H3/t8-,9+,1
    0-/m1/s1;
    CCEFMUBVSUDRLG-KXUCPTDWSA-N    		 CC12CCC(CC2O1)C(=C)C; CC(=C)C1CCC2(C(C1)
    O2)C; CC(=C)[CH]1CC[C]2(C)O[CH]2C1; CC(=
    C)[C@@H]1CC[C@@]2([C@H](C1)O2)C; CC(=C)[
    C@@H]1CC[C@@]2(C)O[C@H]2C1    		 (1R,4R,6S)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane;
    +(-)-limonene oxide
    21149 GHA
    DB02492    		 1 C9 H18 N O9 S InChI=1S/C9H21NO9S/c11-3-
    5-9(15)7(14)2-10(5)1-6(13
    )8(4-12)19-20(16,17)18/h5
    -9,11-18H,1-4H2/p-3/t5-,6
    -,7-,8?,9-/m1/s1;
    YWOSRVQDYDWMAB-JBXPSPKUSA-K    		 [O-]S([O-])([O-])OC(C(O)CN1C(C(O)C(O)C1)
    CO)CO; C1C([C@@H]([C@H]([N@@]1CC(C(CO)OS
    ([O-])([O-])[O-])O)CO)O)O; OC[C@H](O[S](
    [O-])([O-])[O-])[C@H](O)CN1C[C@@H](O)[C@
    H](O)[C@H]1CO; C1C(C(C(N1CC(C(CO)OS([O-]
    )([O-])[O-])O)CO)O)O; OC[CH](O[S]([O-])(
    [O-])[O-])[CH](O)CN1C[CH](O)[CH](O)[CH]1
    CO    		 1'-((1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL)-4-N-AMMONIUM)-1'-DEOXY-L-ERYTHRITOL-3'-SULFATE INNER SALT;
    GHAVAMIOL
    21150 GHB 1 C16 H19 F3 N4 O InChI=1S/C16H19F3N4O/c1-1
    1(2)9-13-10-23(22-21-13)1
    4-5-3-12(4-6-14)15(24)20-
    8-7-16(17,18)19/h3-6,10-1
    1H,7-9H2,1-2H3,(H,20,24);
    LBCXJROJUODEIN-UHFFFAOYSA-N    		 CC(C)Cc1cn(nn1)c2ccc(cc2)C(=O)NCCC(F)(F)
    F    		 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
    21151 GHC
    CHEMBL551049
    ZINC000039273512    		 2 C20 H20 N4 O6 S2 InChI=1S/C20H20N4O6S2/c1-
    2-12-15(14-17(28)23-20(21
    )24-18(14)32-12)31-10-5-3
    -9(4-6-10)16(27)22-11(19(
    29)30)7-8-13(25)26/h3-6,1
    1H,2,7-8H2,1H3,(H,22,27)(
    H,25,26)(H,29,30)(H3,21,2
    3,24,28)/t11-/m0/s1;
    RSFXTHIRRXEJJD-NSHDSACASA-N    		 O=C(O)C(NC(=O)c3ccc(Sc1c(sc2N=C(NC(=O)c1
    2)N)CC)cc3)CCC(=O)O; CCc1sc2N=C(N)NC(=O)
    c2c1Sc3ccc(cc3)C(=O)N[CH](CCC(O)=O)C(O)=
    O; CCc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(cc3)C
    (=O)N[C@@H](CCC(=O)O)C(=O)O; CCc1sc2N=C(
    N)NC(=O)c2c1Sc3ccc(cc3)C(=O)N[C@@H](CCC(
    O)=O)C(O)=O; CCc1c(c2c(s1)N=C(NC2=O)N)Sc
    3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O    		 N-({4-[(2-amino-6-ethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid
    21152 GHD 2 C23 H39 N O19 InChI=1S/C23H39NO19/c1-7(
    28)24-13-8(29)2-23(22(38)
    39,43-20(13)15(34)10(31)4
    -26)40-6-12-16(35)17(36)1
    8(37)21(41-12)42-19(11(32
    )5-27)14(33)9(30)3-25/h3,
    8-21,26-27,29-37H,2,4-6H2
    ,1H3,(H,24,28)(H,38,39)/t
    8-,9-,10+,11+,12+,13-,14+
    ,15+,16-,17-,18+,19-,20-,
    21-,23+/m0/s1;
    VMWYCXKMRSTDSP-DKHYMJAUSA-N    		 CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OCC2
    C(C(C(C(O2)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O
    ; CC(=O)N[C@H]1[C@@H](O)C[C@@](OC[C@H]2O
    [C@@H](O[C@@H]([C@H](O)CO)[C@H](O)[C@@H]
    (O)C=O)[C@H](O)[C@@H](O)[C@H]2O)(O[C@@H]
    1[C@H](O)[C@H](O)CO)C(O)=O; CC(=O)N[C@H]
    1[C@H](C[C@@](O[C@@H]1[C@@H]([C@@H](CO)O
    )O)(C(=O)O)OC[C@@H]2[C@@H]([C@@H]([C@H](
    [C@@H](O2)O[C@@H]([C@@H](CO)O)[C@@H]([C@
    H](C=O)O)O)O)O)O)O; CC(=O)N[CH]1[CH](O)C
    [C](OC[CH]2O[CH](O[CH]([CH](O)CO)[CH](O)
    [CH](O)C=O)[CH](O)[CH](O)[CH]2O)(O[CH]1[
    CH](O)[CH](O)CO)C(O)=O    		 (2~{R},4~{S},5~{S},6~{S})-5-acetamido-4-oxidanyl-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]-2-[[(2~{R},3~{R},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{R},5~{R})-1,2,4,5-tetrakis(oxidanyl)-6-oxidanylidene-hexan-3-yl]oxy-oxan-2-yl]methoxy]oxane-2-carboxylic acid
    21153 GHE
    CHEMBL25263
    DB13087
    ZINC000003972138    		 15 C16 H24 N2 O6 InChI=1S/C16H24N2O6/c19-1
    3(17-9-3-5-11(17)15(21)22
    )7-1-2-8-14(20)18-10-4-6-
    12(18)16(23)24/h11-12H,1-
    10H2,(H,21,22)(H,23,24)/t
    11-,12-/m1/s1;
    HZLAWYIBLZNRFZ-VXGBXAGGSA-N    		 C1C[C@@H](N(C1)C(=O)CCCCC(=O)N2CCC[C@@H]
    2C(=O)O)C(=O)O; OC(=O)[C@H]1CCCN1C(=O)CC
    CCC(=O)N2CCC[C@@H]2C(O)=O; OC(=O)[CH]1CC
    CN1C(=O)CCCCC(=O)N2CCC[CH]2C(O)=O; O=C(N
    1C(C(=O)O)CCC1)CCCCC(=O)N2C(C(=O)O)CCC2;
    C1CC(N(C1)C(=O)CCCCC(=O)N2CCCC2C(=O)O)C
    (=O)O    		 (2R)-1-[6-[(2R)-2-carboxypyrrolidin-1-yl]-6-oxidanylidene-hexanoyl]pyrrolidine-2-carboxylic acid
    21154 GHF 2 C26 H25 F N4 O4 InChI=1S/C26H25FN4O4/c1-1
    4(32)16-8-20(17-12-28-31(
    13-17)18-4-5-18)25(27)22(
    9-16)29-26(34)21-11-23(15
    (2)33)30-7-6-19(35-3)10-2
    4(21)30/h6-14,18,32H,4-5H
    2,1-3H3,(H,29,34)/t14-/m0
    /s1;
    KKCORLIQMAQULG-AWEZNQCLSA-N    		 COc1ccn2c(cc(C(=O)Nc3cc(cc(c3F)c4cnn(c4)
    C5CC5)[C@H](C)O)c2c1)C(C)=O; C[C@@H](c1c
    c(c(c(c1)NC(=O)c2cc(n3c2cc(cc3)OC)C(=O)C
    )F)c4cnn(c4)C5CC5)O; COc1ccn2c(cc(C(=O)N
    c3cc(cc(c3F)c4cnn(c4)C5CC5)[CH](C)O)c2c1
    )C(C)=O; CC(c1cc(c(c(c1)NC(=O)c2cc(n3c2c
    c(cc3)OC)C(=O)C)F)c4cnn(c4)C5CC5)O    		 N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide
    21155 GHG 0 C5 H10 N2 O4 InChI=1S/C5H10N2O4/c6-2(5
    (10)11)1-3(8)4(7)9/h2-3,8
    H,1,6H2,(H2,7,9)(H,10,11)
    /t2-,3-/m0/s1;
    VTJRNXQBJNWLRA-HRFVKAFMSA-N    		 C([C@@H](C(=O)O)N)[C@@H](C(=O)N)O; N[CH]
    (C[CH](O)C(N)=O)C(O)=O; O=C(N)C(O)CC(C(=
    O)O)N; N[C@@H](C[C@H](O)C(N)=O)C(O)=O; C
    (C(C(=O)O)N)C(C(=O)N)O    		 (2S,4S)-2,5-diamino-4-hydroxy-5-oxopentanoic acid (non-preferred name)
    21156 GHI
    ZINC000000968289    		 3 C10 H16 O InChI=1S/C10H16O/c1-7(2)8
    -4-5-10(3)9(6-8)11-10/h8-
    9H,1,4-6H2,2-3H3/t8-,9+,1
    0-/m0/s1;
    CCEFMUBVSUDRLG-AEJSXWLSSA-N    		 CC12CCC(CC2O1)C(=C)C; CC(=C)[C@H]1CC[C@]
    2(C)O[C@@H]2C1; CC(=C)C1CCC2(C(C1)O2)C;
    CC(=C)[CH]1CC[C]2(C)O[CH]2C1; CC(=C)[C@H
    ]1CC[C@]2([C@@H](C1)O2)C    		 (1S,4S,6R)-1-methyl-4-(prop-1-en-2-yl)-7-oxabicyclo[4.1.0]heptane;
    -(-) limonene oxide
    21157 GHJ 3 C29 H53 N5 O7 S InChI=1S/C29H53N5O7S/c1-1
    5(2)11-20(22(35)12-18(7)2
    5(36)33-23(17(5)6)27(38)3
    0-13-16(3)4)31-26(37)21(1
    4-42-8)32-28(39)24-19-9-1
    0-40-29(19)41-34-24/h15-2
    4,29,34-35H,9-14H2,1-8H3,
    (H,30,38)(H,31,37)(H,32,3
    9)(H,33,36)/t18-,19-,20+,
    21+,22+,23+,24-,29+/m1/s1;
    FHZUZMVZKPPWHG-VRUQXOILSA-N    		 CC(C)CC(C(CC(C)C(=O)NC(C(C)C)C(=O)NCC(C)
    C)O)NC(=O)C(CSC)NC(=O)C1C2CCOC2ON1; C[C@
    H](C[C@@H]([C@H](CC(C)C)NC(=O)[C@H](CSC)
    NC(=O)[C@H]1[C@H]2CCO[C@H]2ON1)O)C(=O)N[
    C@@H](C(C)C)C(=O)NCC(C)C; CSC[C@H](NC(=O
    )[C@@H]1NO[C@@H]2OCC[C@H]12)C(=O)N[C@@H]
    (CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@@H](
    C(C)C)C(=O)NCC(C)C; CSC[CH](NC(=O)[CH]1N
    O[CH]2OCC[CH]12)C(=O)N[CH](CC(C)C)[CH](O
    )C[CH](C)C(=O)N[CH](C(C)C)C(=O)NCC(C)C;
    N1C(C2C(O1)OCC2)C(=O)NC(CSC)C(=O)NC(CC(C
    )C)C(CC(C(=O)NC(C(=O)NCC(C)C)C(C)C)C)O    		 (3R,3aR,6aS)-N-[(4R,7S,8S,10R,13S)-8-hydroxy-10,17-dimethyl-7-(2-methylpropyl)-5,11,14-trioxo-13-(propan-2-yl)-2-thia-6,12,15-triazaoctadecan-4-yl]hexahydrofuro[3,2-d][1,2]oxazole-3-carboxamide
    21158 GHK 1 C15 H14 N2 O4 S2 InChI=1S/C15H14N2O4S2/c16
    -22(18,19)14-10-8-13(9-11
    -14)5-4-12-17-23(20,21)15
    -6-2-1-3-7-15/h1-3,6-11,1
    7H,12H2,(H2,16,18,19);
    CJZQAMWVHGWYBU-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)NCC#Cc2ccc(cc2)S(=O)(
    =O)N; N[S](=O)(=O)c1ccc(cc1)C#CCN[S](=O)
    (=O)c2ccccc2    		 4-[3-(phenylsulfonylamino)prop-1-ynyl]benzenesulfonamide
    21159 GHL 1 C22 H33 N5 O2 S InChI=1S/C22H33N5O2S/c1-7
    -15-18(14(3)28)13(2)25-19
    (15)16-11-30-21(26-16)27-
    9-8-23-10-17(27)20(29)24-
    12-22(4,5)6/h11,17,23,25H
    ,7-10,12H2,1-6H3,(H,24,29
    )/t17-/m1/s1;
    BIQUDHDFGPBAHX-QGZVFWFLSA-N    		 CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[C
    @@H]3C(=O)NCC(C)(C)C; CCc1c(c([nH]c1c2cs
    c(n2)N3CCNC[C@@H]3C(=O)NCC(C)(C)C)C)C(=O
    )C; CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CC
    NC[CH]3C(=O)NCC(C)(C)C; CCc1c(c([nH]c1c2
    csc(n2)N3CCNCC3C(=O)NCC(C)(C)C)C)C(=O)C    		 (2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide
    21160 GHM
    CHEMBL296024
    ZINC000000105301    		 4 C9 H6 O6 InChI=1S/C9H6O6/c10-7(11)
    4-1-2-5(8(12)13)6(3-4)9(1
    4)15/h1-3H,(H,10,11)(H,12
    ,13)(H,14,15);
    ARCGXLSVLAOJQL-UHFFFAOYSA-N    		 c1cc(c(cc1C(=O)O)C(=O)O)C(=O)O; c1cc(cc(
    c1C(O)=O)C(O)=O)C(O)=O; OC(=O)c1ccc(C(O)
    =O)c(c1)C(O)=O    		 benzene-1,2,4-tricarboxylic acid
    21161 GHN 1 C16 H17 F3 N2 O4 S2 InChI=1S/C16H17F3N2O4S2/c
    1-2-25-15(22)9-14-21-13(1
    0-26-14)11-3-5-12(6-4-11)
    27(23,24)20-8-7-16(17,18)
    19/h3-6,10,20H,2,7-9H2,1H
    3;
    BOOGQWHJJOHPJE-UHFFFAOYSA-N    		 CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)N
    CCC(F)(F)F; CCOC(=O)Cc1nc(cs1)c2ccc(cc2)
    S(=O)(=O)NCCC(F)(F)F    		 ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
    21162 GHO 7 C2 H6 O4 S InChI=1S/C2H6O4S/c1-2(3)7
    (4,5)6/h2-3H,1H3,(H,4,5,6
    )/t2-/m1/s1;
    WLXGQMVCYPUOLM-UWTATZPHSA-N    		 C[C@H](O)S(=O)(=O)O; C[C@H](O)[S](O)(=O)
    =O; CC(O)S(=O)(=O)O; C[CH](O)[S](O)(=O)=
    O    		 (1R)-1-hydroxyethane-1-sulfonic acid
    21163 GHP
    CHEMBL1232204
    DB04308
    ZINC000000157101    		 0 C8 H9 N O3 InChI=1S/C8H9NO3/c9-7(8(1
    1)12)5-1-3-6(10)4-2-5/h1-
    4,7,10H,9H2,(H,11,12)/t7-
    /m1/s1;
    LJCWONGJFPCTTL-SSDOTTSWSA-N    		 N[CH](C(O)=O)c1ccc(O)cc1; O=C(O)C(N)c1cc
    c(O)cc1; c1cc(ccc1C(C(=O)O)N)O; c1cc(ccc
    1[C@H](C(=O)O)N)O; N[C@@H](C(O)=O)c1ccc(
    O)cc1    		 (2R)-amino(4-hydroxyphenyl)ethanoic acid
    21164 GHQ 1 C10 H10 F3 N O InChI=1S/C10H10F3NO/c11-1
    0(12,13)6-7-14-9(15)8-4-2
    -1-3-5-8/h1-5H,6-7H2,(H,1
    4,15);
    HGTGCLBXLPLRNB-UHFFFAOYSA-N    		 FC(F)(F)CCNC(=O)c1ccccc1; c1ccc(cc1)C(=O
    )NCCC(F)(F)F    		 ~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
    21165 GHR
    ZINC000058650008    		 1 C13 H16 Cl N3 O6 InChI=1S/C13H16ClN3O6/c14
    -6-1-3-7(4-2-6)15-13(22)2
    3-17-12-11(21)10(20)9(19)
    8(5-18)16-12/h1-4,8-11,18
    -21H,5H2,(H,15,22)(H,16,1
    7)/t8-,9-,10+,11-/m1/s1;
    TZXVKBJPSZOBNV-CHWFTXMASA-N    		 c1cc(ccc1NC(=O)O/N=C\2/[C@@H]([C@H]([C@@
    H]([C@H](N2)CO)O)O)O)Cl; OC[CH]1NC(=NOC(
    =O)Nc2ccc(Cl)cc2)[CH](O)[CH](O)[CH]1O; c
    1cc(ccc1NC(=O)ON=C2C(C(C(C(N2)CO)O)O)O)C
    l; OC[C@H]1N\C(=N/OC(=O)Nc2ccc(Cl)cc2)[C
    @H](O)[C@@H](O)[C@@H]1O    		 [[(3S,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)piperidin-2-ylidene]amino] N-(4-chlorophenyl)carbamate
    21166 GHS
    ZINC000001727046    		 1 C7 H15 N3 O2 InChI=1S/C7H15N3O2/c8-7(9
    )10-5-3-1-2-4-6(11)12/h1-
    5H2,(H,11,12)(H4,8,9,10);
    NSDYIDKTTPXCRH-UHFFFAOYSA-N    		 [H]/N=C(\N)/NCCCCCC(=O)O; O=C(O)CCCCCNC(
    =[N@H])N; NC(=N)NCCCCCC(O)=O; C(CCC(=O)O
    )CCNC(=N)N    		 6-carbamimidamidohexanoic acid
    21167 GHT 1 C19 H19 N O4 InChI=1S/C19H19NO4/c1-20-
    5-4-10-7-15(22)19(24-3)18
    -12-9-16(23-2)14(21)8-11(
    12)6-13(20)17(10)18/h6-9,
    21-22H,4-5H2,1-3H3;
    XPRXRILREFALSL-UHFFFAOYSA-N    		 COc1cc2c(cc1O)cc3N(C)CCc4cc(O)c(OC)c2c34
    ; CN1CCc2cc(c(c3c2c1cc4c3cc(c(c4)O)OC)OC
    )O    		 Boldine
    21168 GHU 1 C20 H28 N4 O4 InChI=1S/C20H28N4O4/c1-3-
    15-18(19(21)24-20(22)23-1
    5)28-13-7-12-27-16-9-6-5-
    8-14(16)10-11-17(25)26-4-
    2/h5-6,8-9H,3-4,7,10-13H2
    ,1-2H3,(H4,21,22,23,24);
    QGVUSMGBEBYBHO-UHFFFAOYSA-N    		 CCc1nc(N)nc(N)c1OCCCOc1ccccc1CCC(=O)OCC;
    CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2CCC(=O)O
    CC; CCOC(=O)CCc1ccccc1OCCCOc2c(N)nc(N)nc
    2CC    		 ethyl 3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoate
    21169 GHV 2 C27 H34 N4 O4 InChI=1S/C27H34N4O4/c1-31
    (2)23-11-8-19(9-12-23)10-
    13-25(33)30-24(16-20-6-4-
    3-5-7-20)27(35)29-22(18-3
    2)17-21-14-15-28-26(21)34
    /h3-13,21-22,24,32H,14-18
    H2,1-2H3,(H,28,34)(H,29,3
    5)(H,30,33)/b13-10+/t21-,
    22-,24-/m0/s1;
    MMLGNYLPTJZWEN-XNUWVNOVSA-N    		 CN(C)c1ccc(\C=C\C(=O)N[C@@H](Cc2ccccc2)C
    (=O)N[C@H](CO)C[C@@H]3CCNC3=O)cc1; CN(C)
    c1ccc(cc1)C=CC(=O)NC(Cc2ccccc2)C(=O)NC(C
    C3CCNC3=O)CO; CN(C)c1ccc(cc1)/C=C/C(=O)N
    [C@@H](Cc2ccccc2)C(=O)N[C@@H](C[C@@H]3CC
    NC3=O)CO; CN(C)c1ccc(C=CC(=O)N[CH](Cc2cc
    ccc2)C(=O)N[CH](CO)C[CH]3CCNC3=O)cc1    		 (2S)-2-[[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]amino]-N-[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-phenyl-propanamide
    21170 GHW
    CHEMBL562369
    ZINC000039274608    		 2 C19 H18 N4 O6 S2 InChI=1S/C19H18N4O6S2/c1-
    8-14(13-16(27)22-19(20)23
    -17(13)30-8)31-10-4-2-9(3
    -5-10)15(26)21-11(18(28)2
    9)6-7-12(24)25/h2-5,11H,6
    -7H2,1H3,(H,21,26)(H,24,2
    5)(H,28,29)(H3,20,22,23,2
    7)/t11-/m0/s1;
    XZCPGLYOPFIZBL-NSHDSACASA-N    		 Cc1sc2N=C(N)NC(=O)c2c1Sc3ccc(cc3)C(=O)N[
    C@@H](CCC(O)=O)C(O)=O; O=C(O)C(NC(=O)c3c
    cc(Sc1c(sc2N=C(NC(=O)c12)N)C)cc3)CCC(=O)
    O; Cc1sc2N=C(N)NC(=O)c2c1Sc3ccc(cc3)C(=O
    )N[CH](CCC(O)=O)C(O)=O; Cc1c(c2c(s1)N=C(
    NC2=O)N)Sc3ccc(cc3)C(=O)N[C@@H](CCC(=O)O
    )C(=O)O; Cc1c(c2c(s1)N=C(NC2=O)N)Sc3ccc(
    cc3)C(=O)NC(CCC(=O)O)C(=O)O    		 N-({4-[(2-amino-6-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-5-yl)sulfanyl]phenyl}carbonyl)-L-glutamic acid
    21171 GHX 3 C24 H29 N3 O5 InChI=1S/C24H29N3O5/c28-1
    5-20(14-19-11-12-25-22(19
    )29)26-23(30)21(13-17-7-3
    -1-4-8-17)27-24(31)32-16-
    18-9-5-2-6-10-18/h1-10,19
    -21,28H,11-16H2,(H,25,29)
    (H,26,30)(H,27,31)/t19-,2
    0-,21-/m0/s1;
    SDSQZWABGUFEMG-ACRUOGEOSA-N    		 OC[CH](C[CH]1CCNC1=O)NC(=O)[CH](Cc2ccccc
    2)NC(=O)OCc3ccccc3; c1ccc(cc1)CC(C(=O)NC
    (CC2CCNC2=O)CO)NC(=O)OCc3ccccc3; OC[C@H]
    (C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc2ccccc2)N
    C(=O)OCc3ccccc3; c1ccc(cc1)C[C@@H](C(=O)
    N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3ccc
    cc3    		 (phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
    21172 GHY 1 C20 H29 N3 O5 InChI=1S/C20H29N3O5/c1-13
    (2)28-20(27)23-17(10-14-6
    -4-3-5-7-14)19(26)22-16(1
    2-24)11-15-8-9-21-18(15)2
    5/h3-7,13,15-17,24H,8-12H
    2,1-2H3,(H,21,25)(H,22,26
    )(H,23,27)/t15-,16-,17-/m
    0/s1;
    DESRATCONZEYFJ-ULQDDVLXSA-N    		 CC(C)OC(=O)NC(Cc1ccccc1)C(=O)NC(CC2CCNC2
    =O)CO; CC(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O
    )N[C@@H](C[C@@H]2CCNC2=O)CO; CC(C)OC(=O)
    N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C[C@@H]
    2CCNC2=O; CC(C)OC(=O)N[CH](Cc1ccccc1)C(=
    O)N[CH](CO)C[CH]2CCNC2=O    		 propan-2-yl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
    21173 GHZ 1 C21 H31 N3 O5 InChI=1S/C21H31N3O5/c1-14
    (2)13-29-21(28)24-18(10-1
    5-6-4-3-5-7-15)20(27)23-1
    7(12-25)11-16-8-9-22-19(1
    6)26/h3-7,14,16-18,25H,8-
    13H2,1-2H3,(H,22,26)(H,23
    ,27)(H,24,28)/t16-,17-,18
    -/m0/s1;
    OETPXUIOYJZSTO-BZSNNMDCSA-N    		 CC(C)COC(=O)NC(Cc1ccccc1)C(=O)NC(CC2CCNC
    2=O)CO; CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(
    =O)N[C@@H](C[C@@H]2CCNC2=O)CO; CC(C)COC(
    =O)N[CH](Cc1ccccc1)C(=O)N[CH](CO)C[CH]2C
    CNC2=O; CC(C)COC(=O)N[C@@H](Cc1ccccc1)C(
    =O)N[C@H](CO)C[C@@H]2CCNC2=O    		 2-methylpropyl N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate
    21174 GI0
    CHEMBL5200427    		 2 C21 H26 N6 O S InChI=1S/C21H26N6OS/c1-13
    -10-22-25-16(13)11-26-6-8
    -27(9-7-26)21-24-17(12-29
    -21)20-15-4-3-5-18(28)19(
    15)14(2)23-20/h10,12,23H,
    3-9,11H2,1-2H3,(H,22,25);
    NMLXMNVJOHDFQA-UHFFFAOYSA-N    		 Cc1c[nH]nc1CN2CCN(CC2)c3nc(cs3)c4c5c(c([
    nH]4)C)C(=O)CCC5; Cc1[nH]c(c2CCCC(=O)c12
    )c3csc(n3)N4CCN(CC4)Cc5n[nH]cc5C    		 3-methyl-1-[2-[4-[(4-methyl-1~{H}-pyrazol-3-yl)methyl]piperazin-1-yl]-1,3-thiazol-4-yl]-2,5,6,7-tetrahydroisoindol-4-one
    21175 GI1
    ZINC000103543065    		 2 C10 H17 N2 O6 InChI=1S/C10H16N2O6/c1-18
    -10(17)4-2-12-5(3-13)6(14
    )7(15)8(16)9(12)11-4/h2,5
    -8,10,13-17H,3H2,1H3/p+1/
    t5-,6-,7+,8-,10+/m1/s1;
    FURNYGCGTCIRPM-GBMPTNJUSA-O    		 CO[C@@H](c1c[n+]2c([nH]1)[C@@H]([C@H]([C
    @@H]([C@H]2CO)O)O)O)O; CO[C@H](O)c1[nH]c
    2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)[n+]
    2c1; OC(OC)c1c[n+]2c(n1)C(O)C(O)C(O)C2CO
    ; COC(c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O)O
    ; CO[CH](O)c1[nH]c2[CH](O)[CH](O)[CH](O)
    [CH](CO)[n+]2c1    		 METHOXYCARBONYL-SUBSTITUTED GLUCOIMIDAZOLE
    21176 GI2
    ZINC000103543074    		 2 C11 H17 N2 O6 InChI=1S/C11H16N2O6/c1-19
    -7(15)2-5-3-13-6(4-14)8(1
    6)9(17)10(18)11(13)12-5/h
    3,6,8-10,14,16-18H,2,4H2,
    1H3/p+1/t6-,8-,9+,10-/m1/
    s1;
    YBOGGQIIIVIQDH-SFKDOBOXSA-O    		 COC(=O)Cc1[nH]c2[C@H](O)[C@@H](O)[C@H](O
    )[C@@H](CO)[n+]2c1; COC(=O)Cc1c[n+]2c([n
    H]1)C(C(C(C2CO)O)O)O; COC(=O)Cc1c[n+]2c(
    [nH]1)[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O
    ; COC(=O)Cc1[nH]c2[CH](O)[CH](O)[CH](O)[
    CH](CO)[n+]2c1; O=C(OC)Cc1c[n+]2c(n1)C(O
    )C(O)C(O)C2CO    		 METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLE
    21177 GI3
    ZINC000103543080    		 2 C9 H13 N2 O6 InChI=1S/C9H12N2O6/c12-2-
    4-5(13)6(14)7(15)8-10-3(9
    (16)17)1-11(4)8/h1,4-7,12
    -15H,2H2,(H,16,17)/p+1/t4
    -,5-,6+,7-/m1/s1;
    RYZHANTZYYFSGC-MVIOUDGNSA-O    		 O=C(O)c1c[n+]2c(n1)C(O)C(O)C(O)C2CO; c1c
    ([nH]c2[n+]1C(C(C(C2O)O)O)CO)C(=O)O; c1c
    ([nH]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)
    O)O)CO)C(=O)O; OC[C@@H]1[C@@H](O)[C@H](O
    )[C@@H](O)c2[nH]c(c[n+]12)C(O)=O; OC[CH]
    1[CH](O)[CH](O)[CH](O)c2[nH]c(c[n+]12)C(
    O)=O    		 CARBOXYLATE-SUBSTITUTED GLUCOIMIDAZOLE
    21178 GI4
    ZINC000058631500    		 2 C10 H15 N2 O6 InChI=1S/C10H14N2O6/c13-3
    -5-7(16)8(17)9(18)10-11-4
    (1-6(14)15)2-12(5)10/h2,5
    ,7-9,13,16-18H,1,3H2,(H,1
    4,15)/p+1/t5-,7-,8+,9-/m1
    /s1;
    FOWXVHLJDQDRHS-BUJSFMDZSA-O    		 OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]c(CC(O
    )=O)c[n+]12; OC[C@@H]1[C@@H](O)[C@H](O)[
    C@@H](O)c2[nH]c(CC(O)=O)c[n+]12; c1c([nH
    ]c2[n+]1[C@@H]([C@H]([C@@H]([C@H]2O)O)O)
    CO)CC(=O)O; O=C(O)Cc1c[n+]2c(n1)C(O)C(O)
    C(O)C2CO; c1c([nH]c2[n+]1C(C(C(C2O)O)O)C
    O)CC(=O)O    		 METHYL ACETIC ACID-SUBSTITUTED GLUCOIMIDAZOLE
    21179 GI5 2 C24 H24 N2 O6 InChI=1S/C24H24N2O6/c1-15
    (27)26-13-20(19-6-2-3-7-2
    1(19)26)23(28)25-18-11-16
    (10-17(12-18)24(29)30)14-
    32-22-8-4-5-9-31-22/h2-3,
    6-7,10-13,22H,4-5,8-9,14H
    2,1H3,(H,25,28)(H,29,30)/
    t22-/m0/s1;
    MBYTWRXIPXJQJP-QFIPXVFZSA-N    		 CC(=O)n1cc(c2c1cccc2)C(=O)Nc3cc(cc(c3)C(
    =O)O)COC4CCCCO4; CC(=O)n1cc(c2c1cccc2)C(
    =O)Nc3cc(cc(c3)C(=O)O)CO[C@H]4CCCCO4; CC
    (=O)n1cc(C(=O)Nc2cc(CO[C@H]3CCCCO3)cc(c2
    )C(O)=O)c4ccccc14; CC(=O)n1cc(C(=O)Nc2cc
    (CO[CH]3CCCCO3)cc(c2)C(O)=O)c4ccccc14    		 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid
    21180 GI6 1 C19 H27 N5 O3 InChI=1S/C19H27N5O3/c1-3-
    14-16(17(20)24-19(22)23-1
    4)27-10-6-9-26-15-8-5-4-7
    -13(15)11-12(2)18(21)25/h
    4-5,7-8,12H,3,6,9-11H2,1-
    2H3,(H2,21,25)(H4,20,22,2
    3,24)/t12-/m1/s1;
    YFNRZOCVPAVTJW-GFCCVEGCSA-N    		 CCc1nc(N)nc(N)c1OCCCOc2ccccc2C[CH](C)C(N
    )=O; CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2C[C@
    H](C)C(=O)N; CCc1c(c(nc(n1)N)N)OCCCOc2cc
    ccc2CC(C)C(=O)N; CCc1nc(N)nc(N)c1OCCCOc1
    ccccc1CC(C)C(N)=O; CCc1nc(N)nc(N)c1OCCCO
    c2ccccc2C[C@H](C)C(N)=O    		 (2R)-3-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)-2-methylpropanamide
    21181 GI7
    CHEMBL5204140
    ZINC000034936087    		 1 C13 H19 N5 O InChI=1S/C13H19N5O/c1-10(
    19)17-6-8-18(9-7-17)12-4-
    2-11(3-5-12)16-13(14)15/h
    2-5H,6-9H2,1H3,(H4,14,15,
    16);
    MSILSEAASITEGZ-UHFFFAOYSA-N    		 [H]/N=C(/N)\Nc1ccc(cc1)N2CCN(CC2)C(=O)C;
    CC(=O)N1CCN(CC1)c2ccc(cc2)NC(=N)N; CC(=
    O)N1CCN(CC1)c2ccc(NC(N)=N)cc2    		 1-[4-(4-ethanoylpiperazin-1-yl)phenyl]guanidine
    21182 GI8 5 C24 H23 N5 O2 S InChI=1S/C24H23N5O2S/c1-1
    3(2)24(19(11-26)22(27)31-
    23-21(24)14(3)28-29-23)17
    -8-15(10-25)7-16(9-17)20-
    6-5-18(32-20)12-30-4/h5-9
    ,13H,12,27H2,1-4H3,(H,28,
    29)/t24-/m0/s1;
    DRGJPMMQBOXCQB-DEOSSOPVSA-N    		 COCc1sc(cc1)c2cc(cc(c2)[C]3(C(C)C)C(=C(N
    )Oc4n[nH]c(C)c34)C#N)C#N; Cc1c2c(n[nH]1)
    OC(=C(C2(c3cc(cc(c3)c4ccc(s4)COC)C#N)C(C
    )C)C#N)N; COCc1sc(cc1)c2cc(cc(c2)[C@@]3(
    C(C)C)C(=C(N)Oc4n[nH]c(C)c34)C#N)C#N; Cc
    1c2c(n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)c4cc
    c(s4)COC)C#N)C(C)C)C#N)N    		 (4~{S})-6-azanyl-4-[3-cyano-5-[5-(methoxymethyl)thiophen-2-yl]phenyl]-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile
    21183 GI9
    CHEMBL99895
    ZINC000004394067    		 1 C35 H47 N7 O5 InChI=1S/C35H47N7O5/c1-22
    (25-21-37-26-12-6-5-11-24
    (25)26)30(31(43)38-28(14-
    9-10-18-36)32(44)47-35(2,
    3)4)40-33(45)41-19-16-23(
    17-20-41)42-29-15-8-7-13-
    27(29)39-34(42)46/h5-8,11
    -13,15,21-23,28,30,37H,9-
    10,14,16-20,36H2,1-4H3,(H
    ,38,43)(H,39,46)(H,40,45)
    /t22-,28-,30+/m0/s1;
    WFCIXKAZBUIFTR-PKIMSIDOSA-N    		 C[C@H]([C@@H](NC(=O)N1CCC(CC1)N2C(=O)Nc3
    ccccc23)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)
    C)c4c[nH]c5ccccc45; C[CH]([CH](NC(=O)N1C
    CC(CC1)N2C(=O)Nc3ccccc23)C(=O)N[CH](CCCC
    N)C(=O)OC(C)(C)C)c4c[nH]c5ccccc45; C[C@@
    H](c1c[nH]c2c1cccc2)[C@H](C(=O)N[C@@H](C
    CCCN)C(=O)OC(C)(C)C)NC(=O)N3CCC(CC3)N4c5
    ccccc5NC4=O; CC(c1c[nH]c2c1cccc2)C(C(=O)
    NC(CCCCN)C(=O)OC(C)(C)C)NC(=O)N3CCC(CC3)
    N4c5ccccc5NC4=O    		 tert-butyl (2S)-6-azanyl-2-[[(2R,3S)-3-(1H-indol-3-yl)-2-[[4-(2-oxidanylidene-3H-benzimidazol-1-yl)piperidin-1-yl]carbonylamino]butanoyl]amino]hexanoate;
    L-054,52
    21184 GIA
    CHEMBL1090719
    ZINC000049068797    		 3 C20 H16 F N O3 InChI=1S/C20H16FNO3/c21-1
    7-7-3-4-13(10-17)11-18(20
    (24)25)22-19(23)16-9-8-14
    -5-1-2-6-15(14)12-16/h1-1
    0,12,18H,11H2,(H,22,23)(H
    ,24,25)/t18-/m1/s1;
    JVSARVOIIXAOKH-GOSISDBHSA-N    		 OC(=O)[CH](Cc1cccc(F)c1)NC(=O)c2ccc3cccc
    c3c2; OC(=O)[C@@H](Cc1cccc(F)c1)NC(=O)c2
    ccc3ccccc3c2; Fc1cc(ccc1)CC(C(=O)O)NC(=O
    )c3cc2ccccc2cc3; c1ccc2cc(ccc2c1)C(=O)N[
    C@H](Cc3cccc(c3)F)C(=O)O; c1ccc2cc(ccc2c
    1)C(=O)NC(Cc3cccc(c3)F)C(=O)O    		 3-fluoro-N-(naphthalen-2-ylcarbonyl)-D-phenylalanine
    21185 GIC
    ZINC000058631611    		 0 C14 H17 N3 O3 InChI=1S/C14H17N3O3/c15-5
    -6-17(9-14(19)20)13(18)7-
    10-8-16-12-4-2-1-3-11(10)
    12/h1-4,8,16H,5-7,9,15H2,
    (H,19,20);
    AOYQSBAHDKERJH-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)CC(=O)N(CCN)CC(=O)O;
    O=C(O)CN(C(=O)Cc2c1ccccc1nc2)CCN; NCCN(
    CC(O)=O)C(=O)Cc1c[nH]c2ccccc12    		 N-(2-aminoethyl)-N-(1H-indol-3-ylacetyl)glycine
    21186 GID
    ZINC000001495011    		 4 C9 H6 N2 O4 InChI=1S/C9H6N2O4/c12-9(1
    3)8-4-5-3-6(11(14)15)1-2-
    7(5)10-8/h1-4,10H,(H,12,1
    3);
    LHFOJSCXLFKDIR-UHFFFAOYSA-N    		 O=N(=O)c1cc2cc([NH]c2cc1)C(=O)O; c1cc2c(
    cc1N(=O)=O)cc([nH]2)C(=O)O; OC(=O)c1[nH]
    c2ccc(cc2c1)[N](=O)=O    		 5-nitro-1H-indole-2-carboxylic acid
    21187 GIE
    CHEMBL5181472    		 1 C16 H22 N4 O S InChI=1S/C16H22N4OS/c1-4-
    12-14(11(3)21)10(2)18-15(
    12)13-9-22-16(19-13)20-7-
    5-17-6-8-20/h9,17-18H,4-8
    H2,1-3H3;
    GSMRYQUEJCTMHR-UHFFFAOYSA-N    		 CCc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNCC3
    ; CCc1c(c([nH]c1c2csc(n2)N3CCNCC3)C)C(=O
    )C    		 1-[4-ethyl-2-methyl-5-(2-piperazin-1-yl-1,3-thiazol-4-yl)-1~{H}-pyrrol-3-yl]ethanone
    21188 GIF
    CHEMBL1818433    		 8 C6 H13 N O3 InChI=1S/C6H13NO3/c8-3-4-
    1-7-2-5(9)6(4)10/h4-10H,1
    -3H2/t4-,5-,6+/m1/s1;
    QPYJXFZUIJOGNX-PBXRRBTRSA-N    		 OC[CH]1CNC[CH](O)[CH]1O; OC[C@H]1CNC[C@@
    H](O)[C@H]1O; OC1C(CO)CNCC1O; C1C(C(C(CN
    1)O)O)CO; C1[C@@H]([C@@H]([C@@H](CN1)O)O
    )CO    		 D-galacto-isofagomine
    21189 GIG
    CHEMBL396056
    ZINC000016052298    		 1 C23 H17 F4 N5 O4 InChI=1S/C23H17F4N5O4/c1-
    35-22(34)32-20-29-17-9-7-
    15(11-19(17)30-20)36-14-5
    -3-13(4-6-14)28-21(33)31-
    18-10-12(23(25,26)27)2-8-
    16(18)24/h2-11H,1H3,(H2,2
    8,31,33)(H2,29,30,32,34);
    KADQEUOYNAPXRD-UHFFFAOYSA-N    		 COC(=O)Nc1[nH]c2ccc(Oc3ccc(NC(=O)Nc4cc(c
    cc4F)C(F)(F)F)cc3)cc2n1; COC(=O)Nc1[nH]c
    2ccc(cc2n1)Oc3ccc(cc3)NC(=O)Nc4cc(ccc4F)
    C(F)(F)F; FC(F)(F)c1cc(c(F)cc1)NC(=O)Nc4
    ccc(Oc3ccc2c(nc(n2)NC(=O)OC)c3)cc4    		 METHYL (5-{4-[({[2-FLUORO-5-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-1H-BENZIMIDAZOL-2-YL)CARBAMATE
    21190 GIH 4 C22 H25 F N5 O5 P InChI=1S/C22H25FN5O5P/c1-
    32-34(31,33-2)16-10-26-22
    (27-18-12-5-3-11(4-6-12)1
    7(18)21(29)30)28-19(16)15
    -9-25-20-14(15)7-13(23)8-
    24-20/h7-12,17-18H,3-6H2,
    1-2H3,(H,24,25)(H,29,30)(
    H,26,27,28)/t11-,12+,17-,
    18-/m0/s1;
    HZZFRSXJRJLLCP-CMKMFDCUSA-N    		 COP(=O)(c1cnc(nc1c2c[nH]c3c2cc(cn3)F)N[C
    @@H]4[C@H](C5CCC4CC5)C(=O)O)OC; CO[P](=O
    )(OC)c1cnc(N[CH]2C3CCC(CC3)[CH]2C(O)=O)n
    c1c4c[nH]c5ncc(F)cc45; CO[P](=O)(OC)c1cn
    c(N[C@H]2C3CCC(CC3)[C@@H]2C(O)=O)nc1c4c[
    nH]c5ncc(F)cc45; COP(=O)(c1cnc(nc1c2c[nH
    ]c3c2cc(cn3)F)NC4C5CCC(C4C(=O)O)CC5)OC    		 (2~{S},3~{S})-3-[[5-dimethoxyphosphoryl-4-(5-fluoranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
    21191 GII 2 C18 H28 N6 O6 InChI=1S/C18H28N6O6/c19-2
    2-21-12-5-6-13(14(9-12)24
    (29)30)20-7-3-1-2-4-8-23-
    10-16(26)18(28)17(27)15(2
    3)11-25/h5-6,9,15-18,20,2
    5-28H,1-4,7-8,10-11H2/t15
    -,16+,17-,18-/m1/s1;
    WSZFAXCTHDAHNX-XMTFNYHQSA-N    		 c1cc(c(cc1N=[N+]=[N-])[N+](=O)[O-])NCCCC
    CCN2CC(C(C(C2CO)O)O)O; c1cc(c(cc1N=[N+]=
    [N-])[N+](=O)[O-])NCCCCCCN2C[C@@H]([C@H]
    ([C@@H]([C@H]2CO)O)O)O; OC[C@@H]1[C@@H](
    O)[C@H](O)[C@@H](O)CN1CCCCCCNc2ccc(cc2[N
    +]([O-])=O)N=[N+]=[N-]; [O-][N+](=O)c1cc
    (\N=[N+]=[N-])ccc1NCCCCCCN1CC(O)C(O)C(O)
    C1CO; OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCC
    CCCNc2ccc(cc2[N+]([O-])=O)N=[N+]=[N-]    		 (2R,3R,4R,5S)-1-[6-(4-azido-2-nitroanilino)hexyl]-2-(hydroxymethyl)piperidine-3,4,5-triol
    21192 GIJ 1 C20 H26 F3 N5 O2 S InChI=1S/C20H26F3N5O2S/c1
    -4-13-16(12(3)29)11(2)26-
    17(13)14-10-31-19(27-14)2
    8-8-7-24-9-15(28)18(30)25
    -6-5-20(21,22)23/h10,15,2
    4,26H,4-9H2,1-3H3,(H,25,3
    0)/t15-/m1/s1;
    PLKCLYWKGAEBFY-OAHLLOKOSA-N    		 CCc1c(c([nH]c1c2csc(n2)N3CCNCC3C(=O)NCCC
    (F)(F)F)C)C(=O)C; CCc1c([nH]c(C)c1C(C)=O
    )c2csc(n2)N3CCNC[CH]3C(=O)NCCC(F)(F)F; C
    Cc1c([nH]c(C)c1C(C)=O)c2csc(n2)N3CCNC[C@
    @H]3C(=O)NCCC(F)(F)F; CCc1c(c([nH]c1c2cs
    c(n2)N3CCNC[C@@H]3C(=O)NCCC(F)(F)F)C)C(=
    O)C    		 (2~{R})-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide
    21193 GIK 1 C21 H23 Cl N4 O2 InChI=1S/C21H23ClN4O2/c1-
    12-21-19(26-25-12)9-14(17
    -7-8-23-11-18(17)22)10-20
    (21)28-16-5-3-15(4-6-16)2
    4-13(2)27/h7-11,15-16H,3-
    6H2,1-2H3,(H,24,27)(H,25,
    26)/t15-,16-;
    VCIOFIORKGNIFB-WKILWMFISA-N    		 CC(=O)N[CH]1CC[CH](CC1)Oc2cc(cc3[nH]nc(C
    )c23)c4ccncc4Cl; Cc1c2c(cc(cc2OC3CCC(CC3
    )NC(=O)C)c4ccncc4Cl)[nH]n1; CC(=O)N[C@H]
    1CC[C@@H](CC1)Oc2cc(cc3[nH]nc(C)c23)c4cc
    ncc4Cl    		 ~{N}-[4-[[6-(3-chloranylpyridin-4-yl)-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexyl]ethanamide
    21194 GIL
    CHEMBL1182001
    ZINC000016051852    		 1 C30 H35 F2 N5 O5 InChI=1S/C30H35F2N5O5/c1-
    15(2)14-35-27(38)19-10-11
    -22(21(13-19)30(39)40)42-
    29-24(32)25(37(16(3)4)17(
    5)6)23(31)28(36-29)41-20-
    9-7-8-18(12-20)26(33)34/h
    7-13,15-17H,14H2,1-6H3,(H
    3,33,34)(H,35,38)(H,39,40
    );
    JLWMMYZWEHHTFF-UHFFFAOYSA-N    		 [H]/N=C(\c1cccc(c1)Oc2c(c(c(c(n2)Oc3ccc(
    cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)C)F
    )/N; [H]N=C(c1cccc(c1)Oc2c(c(c(c(n2)Oc3c
    cc(cc3C(=O)O)C(=O)NCC(C)C)F)N(C(C)C)C(C)
    C)F)N; O=C(NCC(C)C)c3ccc(Oc2nc(Oc1cc(C(=
    [N@H])N)ccc1)c(F)c(c2F)N(C(C)C)C(C)C)c(C
    (=O)O)c3; CC(C)CNC(=O)c1ccc(Oc2nc(Oc3ccc
    c(c3)C(N)=N)c(F)c(N(C(C)C)C(C)C)c2F)c(c1
    )C(O)=O    		 2-{[6-{3-[AMINO(IMINO)METHYL]PHENOXY}-4-(DIISOPROPYLAMINO)-3,5-DIFLUOROPYRIDIN-2-YL]OXY}-5-[(ISOBUTYLAMINO)CARBONYL]BEN ZOIC ACID;
    PD0297121
    21195 GIM
    ZINC000103543099    		 10 C8 H13 N2 O4 InChI=1S/C8H12N2O4/c11-3-
    4-5(12)6(13)7(14)8-9-1-2-
    10(4)8/h1-2,4-7,11-14H,3H
    2/p+1/t4-,5-,6+,7-/m1/s1;
    RZRDQZQPTISYKY-MVIOUDGNSA-O    		 c1c[n+]2c([nH]1)C(C(C(C2CO)O)O)O; OCC2[n
    +]1ccnc1C(O)C(O)C2O; OC[CH]1[CH](O)[CH](
    O)[CH](O)c2[nH]cc[n+]12; c1c[n+]2c([nH]1
    )[C@@H]([C@H]([C@@H]([C@H]2CO)O)O)O; OC[
    C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2[nH]cc
    [n+]12    		 GLUCOIMIDAZOLE;
    (5S,6S,7R,8R)-5-(HYDROXYMETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
    21196 GIN
    DB07831
    ZINC000016052157    		 2 C23 H22 F3 N3 O2 InChI=1S/C23H22F3N3O2/c1-
    2-5-16-9-10-17(12-19(16)2
    3(24,25)26)29-22(31)18-6-
    3-4-7-20(18)27-13-15-8-11
    -21(30)28-14-15/h3-4,6-12
    ,14,27H,2,5,13H2,1H3,(H,2
    8,30)(H,29,31);
    SHSORWZDEKFFLP-UHFFFAOYSA-N    		 O=C1C=CC(=CN1)CNc3ccccc3C(=O)Nc2cc(c(cc2
    )CCC)C(F)(F)F; CCCc1ccc(NC(=O)c2ccccc2NC
    C3=CNC(=O)C=C3)cc1C(F)(F)F; CCCc1ccc(cc1
    C(F)(F)F)NC(=O)c2ccccc2NCC3=CNC(=O)C=C3    		 2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-YL)METHYL]AMINO}-N-[4-PROPYL-3-(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
    21197 GIO
    CHEMBL360216
    DB04541
    ZINC000000402826    		 2 C7 H10 N2 O2 InChI=1S/C7H10N2O2/c10-6-
    4-8-7(11)5-2-1-3-9(5)6/h5
    H,1-4H2,(H,8,11)/t5-/m0/s
    1;
    OWOHLURDBZHNGG-YFKPBYRVSA-N    		 O=C1CNC(=O)[C@@H]2CCCN12; C1CC2C(=O)NCC(
    =O)N2C1; C1C[C@H]2C(=O)NCC(=O)N2C1; O=C1
    CNC(=O)[CH]2CCCN12; O=C1N2C(C(=O)NC1)CCC
    2    		 CYCLO-(GLYCINE-L-PROLINE) INHIBITOR;
    (8AR)-HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE
    21198 GIP
    DB03330
    ZINC000014880713    		 4 C17 H23 I N4 O8 S InChI=1S/C17H23IN4O8S/c18
    -9-1-3-10(4-2-9)22(30)17(
    29)31-8-12(15(26)20-7-14(
    24)25)21-13(23)6-5-11(19)
    16(27)28/h1-4,11-12,17,29
    -30H,5-8,19H2,(H,20,26)(H
    ,21,23)(H,24,25)(H,27,28)
    /t11-,12-,17+/m0/s1;
    SCHAHXXLASZJCD-NVGCLXPQSA-N    		 N[CH](CCC(=O)N[CH](CS[CH](O)N(O)c1ccc(I)
    cc1)C(=O)NCC(O)=O)C(O)=O; N[C@@H](CCC(=O
    )N[C@@H](CS[C@@H](O)N(O)c1ccc(I)cc1)C(=O
    )NCC(O)=O)C(O)=O; c1cc(ccc1N(C(O)SC[C@@H
    ](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N)
    O)I; Ic1ccc(N(O)C(O)SCC(C(=O)NCC(=O)O)NC
    (=O)CCC(C(=O)O)N)cc1; c1cc(ccc1N(C(O)SCC
    (C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)I    		 S-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONE
    21199 GIQ
    CHEMBL1233049
    ZINC000013282307    		 2 C11 H10 N4 InChI=1S/C11H10N4/c1-15-9
    -5-4-8-7(3-2-6-13-8)10(9)
    14-11(15)12/h2-6H,1H3,(H2
    ,12,14);
    ARZWATDYIYAUTA-UHFFFAOYSA-N    		 n2cccc3c1nc(n(c1ccc23)C)N; Cn1c(N)nc2c1c
    cc3ncccc23; Cn1c2ccc3c(c2nc1N)cccn3    		 3-METHYL-3H-IMIDAZO[4,5-F]QUINOLIN-2-AMINE;
    2-AMINO-3-METHYLIMIDAZO[4,5-F]QUINOLINE
    21200 GIR
    CHEMBL1171272
    ZINC000017192049    		 1 C6 H11 Cl N4 O InChI=1S/C6H11ClN4O/c7-3(
    1-8)5(12)4-2-10-6(9)11-4/
    h2-3,5,12H,1,8H2,(H3,9,10
    ,11)/t3-,5+/m0/s1;
    YILCGOCHVFQMTC-WVZVXSGGSA-N    		 c1c([nH]c(n1)N)C(C(CN)Cl)O; NC[C@H](Cl)[
    C@@H](O)c1[nH]c(N)nc1; NC[CH](Cl)[CH](O)
    c1[nH]c(N)nc1; ClC(C(O)c1cnc(N)n1)CN; c1
    c([nH]c(n1)N)[C@@H]([C@H](CN)Cl)O    		 GIRODAZOLE
    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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