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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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    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    21801 GBS
    CHEMBL20767
    DB02459
    ZINC000000155851    		 21 C8 H9 N3 O2 InChI=1S/C8H9N3O2/c9-8(10
    )11-6-3-1-5(2-4-6)7(12)13
    /h1-4H,(H,12,13)(H4,9,10,
    11);
    SXTSBZBQQRIYCU-UHFFFAOYSA-N    		 [H]/N=C(\N)/Nc1ccc(cc1)C(=O)O; NC(=N)Nc1
    ccc(cc1)C(O)=O; NC(=N)Nc1ccc(cc1)C(=O)O;
    c1cc(ccc1C(=O)O)NC(=N)N    		 4-carbamimidamidobenzoic acid;
    Nafamostat, bound form
    21802 GBT
    CHEMBL3884851
    ZINC000584905565    		 1 C29 H33 N7 O3 InChI=1S/C29H33N7O3/c1-21
    -25-17-31-29(37)24-16-33-
    36(20-24)19-23-9-8-22(18-
    35-11-7-10-32-35)14-26(23
    )38-12-5-3-2-4-6-13-39-27
    (25)15-28(30)34-21/h2,4,7
    -11,14-16,20H,3,5-6,12-13
    ,17-19H2,1H3,(H2,30,34)(H
    ,31,37)/b4-2+;
    ZVYLYYBRLJOHMS-DUXPYHPUSA-N    		 Cc1nc(N)cc2OCC/C=C/CCCOc3cc(Cn4cccn4)ccc
    3Cn5cc(cn5)C(=O)NCc12; Cc1nc(N)cc2OCCC=C
    CCCOc3cc(Cn4cccn4)ccc3Cn5cc(cn5)C(=O)NCc
    12; Cc1c2c(cc(n1)N)OCCC=CCCCOc3cc(ccc3Cn
    4cc(cn4)C(=O)NC2)Cn5cccn5; Cc1c2c(cc(n1)
    N)OCC/C=C/CCCOc3cc(ccc3Cn4cc(cn4)C(=O)NC
    2)Cn5cccn5; Cc4nc(N)cc5OCCC=CCCCOc1c(ccc
    (c1)Cn2cccn2)Cn3ncc(c3)C(NCc45)=O    		 (8E)-3-amino-1-methyl-15-[(1H-pyrazol-1-yl)methyl]-7,10,11,12,24,25-hexahydro-6H,18H,23H-19,22-(metheno)pyrido[4,3-j][1,9,13,17,18]benzodioxatriazacyclohenicosin-23-one
    21803 GBU
    CHEMBL1416789
    ZINC000002511851    		 1 C18 H20 Cl N O2 InChI=1S/C18H20ClNO2/c1-1
    1-4-3-5-12(8-11)15-10-20(
    2)7-6-13-14(15)9-16(21)18
    (22)17(13)19/h3-5,8-9,15,
    21-22H,6-7,10H2,1-2H3/t15
    -/m0/s1;
    JXMYTVOBSFOHAF-HNNXBMFYSA-N    		 Cc1cccc(c1)[C@@H]2CN(CCc3c2cc(c(c3Cl)O)O
    )C; CN1CCc2c(Cl)c(O)c(O)cc2[C@@H](C1)c3c
    ccc(C)c3; Cc1cccc(c1)C2CN(CCc3c2cc(c(c3C
    l)O)O)C; CN1CCc2c(Cl)c(O)c(O)cc2[CH](C1)
    c3cccc(C)c3    		 (1S)-6-chloranyl-3-methyl-1-(3-methylphenyl)-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
    21804 GBV 1 C20 H26 N2 O4 S3 InChI=1S/C20H26N2O4S3/c23
    -18(4-2-1-3-16-9-12-27-29
    -16)21-10-11-26-15-7-5-14
    (6-8-15)13-17-19(24)22-20
    (25)28-17/h5-8,16,28H,1-4
    ,9-13H2,(H,21,23)(H,22,24
    ,25)/t16-/m1/s1;
    XXBJESQNBILSML-MRXNPFEDSA-N    		 C(COc1ccc(cc1)CC=2C(NC(=O)S=2)=O)NC(CCCC
    C3CCSS3)=O; O=C(CCCC[C@@H]1CCSS1)NCCOc2c
    cc(CC3=[SH]C(=O)NC3=O)cc2; O=C(CCCC[CH]1
    CCSS1)NCCOc2ccc(CC3=[SH]C(=O)NC3=O)cc2;
    c1cc(ccc1CC2=SC(=O)NC2=O)OCCNC(=O)CCCCC3
    CCSS3    		 N-(2-{4-[(2,4-dioxo-3,4-dihydro-2H-1lambda~4~,3-thiazol-5-yl)methyl]phenoxy}ethyl)-5-[(3R)-1,2-dithiolan-3-yl]pentanamide
    21805 GBW 3 C50 H64 N8 O9 S InChI=1S/C50H64N8O9S/c1-3
    2-45(68-31-53-32)34-10-8-
    33(9-11-34)25-52-47(61)41
    -24-36(59)27-58(41)49(63)
    46(50(2,3)4)54-44(60)30-6
    7-21-20-66-19-18-56-14-16
    -57(17-15-56)29-40-42(64-
    6)22-35(23-43(40)65-7)39-
    28-55(5)48(62)38-26-51-13
    -12-37(38)39/h8-13,22-23,
    26,28,31,36,41,46,59H,14-
    21,24-25,27,29-30H2,1-7H3
    ,(H,52,61)(H,54,60);
    RPMQBLMPGMFXLD-UHFFFAOYSA-N    		 Cc1c(scn1)c2ccc(cc2)CNC(=O)[C@@H]3C[C@@H
    ](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCOCCN4
    CCN(CC4)Cc5c(cc(cc5OC)C6=CN(C(=O)c7c6ccn
    c7)C)OC)O; Cc1c(scn1)c2ccc(cc2)CNC(=O)C3
    CC(CN3C(=O)C(C(C)(C)C)NC(=O)COCCOCCN4CCN
    (CC4)Cc5c(cc(cc5OC)C6=CN(C(=O)c7c6ccnc7)
    C)OC)O; COc1cc(cc(OC)c1CN2CCN(CCOCCOCC(=
    O)NC(C(=O)N3CC(O)CC3C(=O)NCc4ccc(cc4)c5s
    cnc5C)C(C)(C)C)CC2)C6=CN(C)C(=O)c7cnccc6
    7    		 (2~{S},4~{S})-1-[(2~{S})-2-[2-[2-[2-[4-[[2,6-dimethoxy-4-(2-methyl-1-oxidanylidene-2,7-naphthyridin-4-yl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanoylamino]-3,3-dimethyl-butanoyl]-~{N}-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide
    21806 GBX
    ZINC000039312053    		 12 C30 H27 N3 O9 S InChI=1S/C30H27N3O9S/c31-
    18(30(41)42)8-9-20(34)33-
    19(29(40)32-11-21(35)36)1
    2-43-28-24-16-7-6-14-3-1-
    2-13-4-5-15(23(16)22(13)1
    4)10-17(24)25(37)26(38)27
    (28)39/h1-7,10,18-19,27-2
    8,39H,8-9,11-12,31H2,(H,3
    2,40)(H,33,34)(H,35,36)(H
    ,41,42)/t18-,19-,27-,28-/
    m0/s1;
    DUWOHLGCRJLRRU-HVYZTVOGSA-N    		 O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC3c2
    c1ccc5c4c1c(cc2C(=O)C(=O)C3O)ccc4ccc5; c
    1cc2ccc3cc4c(c5c3c2c(c1)cc5)[C@@H]([C@H]
    (C(=O)C4=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](
    CS[CH]1[CH](O)C(=O)C(=O)c2cc3ccc4cccc5cc
    c(c12)c3c45)C(=O)NCC(O)=O)C(O)=O; c1cc2c
    cc3cc4c(c5c3c2c(c1)cc5)C(C(C(=O)C4=O)O)S
    CC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N; N[C
    @@H](CCC(=O)N[C@@H](CS[C@@H]1[C@@H](O)C(
    =O)C(=O)c2cc3ccc4cccc5ccc(c12)c3c45)C(=O
    )NCC(O)=O)C(O)=O    		 2-AMINO-4-[1-(CARBOXYMETHYL-CARBAMOYL)-2-(9-HYDROXY-7,8-DIOXO-7,8,9,10-TETRAHYDRO-BENZO[DEF]CHRYSEN-10-YLSULFANYL)-ETHYLCARBAMOYL]-BUTYRIC ACID;
    GLUTATHIONE CONJUGATE OF (+)-ANTI-BPDE
    21807 GBZ
    CHEMBL4280968    		 1 C26 H30 F N5 O9 InChI=1S/C26H30FN5O9/c27-
    20-11-9-16(15-29-20)23(36
    )28-13-14-32(17-5-2-1-3-6
    -17)21(33)8-4-7-18(24(37)
    38)30-26(41)31-19(25(39)4
    0)10-12-22(34)35/h1-3,5-6
    ,9,11,15,18-19H,4,7-8,10,
    12-14H2,(H,28,36)(H,34,35
    )(H,37,38)(H,39,40)(H2,30
    ,31,41)/t18-,19-/m0/s1;
    AFDHXMJDHQVEHD-OALUTQOASA-N    		 OC(=O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)N(CC
    NC(=O)c1ccc(F)nc1)c2ccccc2)C(O)=O)C(O)=O
    ; c1ccc(cc1)N(CCNC(=O)c2ccc(nc2)F)C(=O)C
    CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C
    (=O)O; OC(=O)CC[CH](NC(=O)N[CH](CCCC(=O)
    N(CCNC(=O)c1ccc(F)nc1)c2ccccc2)C(O)=O)C(
    O)=O; c1ccc(cc1)N(CCNC(=O)c2ccc(nc2)F)C(
    =O)CCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O    		 (2~{S})-2-[[(2~{S})-6-[2-[(6-fluoranylpyridin-3-yl)carbonylamino]ethyl-phenyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
    21808 GC0 2 C36 H40 N12 O6 InChI=1S/C36H40N12O6/c1-6
    -46-25(11-18(3)43-46)33(5
    1)41-35-39-23-13-20(31(37
    )49)15-27(53-5)29(23)45(3
    5)10-8-9-22-17-54-28-16-2
    1(32(38)50)14-24-30(28)48
    (22)36(40-24)42-34(52)26-
    12-19(4)44-47(26)7-2/h11-
    16,22H,6-10,17H2,1-5H3,(H
    2,37,49)(H2,38,50)(H,39,4
    1,51)(H,40,42,52)/t22-/m0
    /s1;
    NXSXSRGBZKGELX-QFIPXVFZSA-N    		 CCn1nc(C)cc1C(=O)Nc2nc3cc(cc(OC)c3n2CCC[
    C@H]4COc5cc(cc6nc(NC(=O)c7cc(C)nn7CC)n4c
    56)C(N)=O)C(N)=O; Cc1cc(n(CC)n1)C(=O)Nc1
    nc2cc(cc(OC)c2n1CCCC1COc2cc(cc3nc(NC(=O)
    c4cc(C)nn4CC)n1c23)C(N)=O)C(N)=O; CCn1c(
    cc(n1)C)C(=O)Nc2nc3cc(cc(c3n2CCCC4COc5cc
    (cc6c5n4c(n6)NC(=O)c7cc(nn7CC)C)C(=O)N)O
    C)C(=O)N; CCn1c(cc(n1)C)C(=O)Nc2nc3cc(cc
    (c3n2CCC[C@H]4COc5cc(cc6c5n4c(n6)NC(=O)c
    7cc(nn7CC)C)C(=O)N)OC)C(=O)N; CCn1nc(C)c
    c1C(=O)Nc2nc3cc(cc(OC)c3n2CCC[CH]4COc5cc
    (cc6nc(NC(=O)c7cc(C)nn7CC)n4c56)C(N)=O)C
    (N)=O    		 (3S,4S)-4-(3-{5-carbamoyl-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-7-methoxy-1H-benzimidazol-1-yl}propyl)-2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-4,5-dihydroimidazo[1,5,4-de][1,4]benzoxazine-8-carboxamide
    21809 GC1
    ZINC000016052237    		 0 C6 H10 O6 InChI=1S/C6H10O6/c7-2-1-1
    2-5(6(10)11)4(9)3(2)8/h2-
    5,7-9H,1H2,(H,10,11)/t2-,
    3+,4-,5-/m0/s1;
    KYIOVQZVBFQNEB-QTBDOELSSA-N    		 O[C@H]1CO[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
    ; C1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)
    O)O)O; O=C(O)C1OCC(O)C(O)C1O; C1C(C(C(C(
    O1)C(=O)O)O)O)O; O[CH]1CO[CH]([CH](O)[CH
    ]1O)C(O)=O    		 2,6-anhydro-L-gulonic acid;
    1-deoxy-D-glucuronic acid
    21810 GC2
    CHEMBL1232979
    ZINC000013547934    		 7 C10 H18 N2 O4 InChI=1S/C10H18N2O4/c1-5(
    13)11-6-4-12-3-2-7(14)8(1
    2)10(16)9(6)15/h6-10,14-1
    6H,2-4H2,1H3,(H,11,13)/t6
    -,7-,8+,9+,10+/m0/s1;
    IHKWXDCSAKJQKM-SRQGCSHVSA-N    		 CC(=O)N[CH]1CN2CC[CH](O)[CH]2[CH](O)[CH]
    1O; CC(=O)N[C@H]1CN2CC[C@H](O)[C@@H]2[C@
    @H](O)[C@@H]1O; CC(=O)NC1CN2CCC(C2C(C1O)
    O)O; CC(=O)N[C@H]1C[N@@]2CC[C@@H]([C@@H]
    2[C@H]([C@@H]1O)O)O; O=C(NC2C(O)C(O)C1N(
    CCC1O)C2)C    		 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE;
    N-[(1S,6S,7R,8R,8AR)-1,7,8-TRIHYDROXYOCTAHYDROINDOLIZIN-6-YL]ACETAMIDE
    21811 GC3
    ZINC000095921364    		 1 C8 H13 N O6 InChI=1S/C8H13NO6/c10-1-3
    -6(12)7(13)5-8(14-3)15-4(
    2-11)9-5/h3,5-8,10-13H,1-
    2H2/t3-,5-,6-,7-,8-/m1/s1;
    FAUNLXBEFZYFSG-PNAXYBNRSA-N    		 C([C@@H]1[C@H]([C@@H]([C@@H]2[C@H](O1)OC
    (=N2)CO)O)O)O; OC[CH]1O[CH]2OC(=N[CH]2[C
    H](O)[CH]1O)CO; OC[C@H]1O[C@@H]2OC(=N[C@
    @H]2[C@@H](O)[C@@H]1O)CO; C(C1C(C(C2C(O1
    )OC(=N2)CO)O)O)O; N1=C(OC2OC(C(O)C(O)C12
    )CO)CO    		 (3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL
    21812 GC4
    DB04548
    ZINC000005850963    		 3 C6 H10 O6 InChI=1S/C6H10O6/c7-2-1-3
    (5(9)10)12-6(11)4(2)8/h2-
    4,6-8,11H,1H2,(H,9,10)/t2
    -,3-,4+,6+/m0/s1;
    OGDYCNQXUUBOMI-RFPGKLGKSA-N    		 O[CH]1C[CH](O[CH](O)[CH]1O)C(O)=O; C1[C@
    @H]([C@H]([C@@H](OC1C(=O)O)O)O)O; O=C(O)
    C1OC(O)C(O)C(O)C1; C1C(C(C(OC1C(=O)O)O)O
    )O; O[C@H]1C[C@H](O[C@@H](O)[C@@H]1O)C(O
    )=O    		 4-deoxy-beta-D-glucopyranuronic acid;
    4-DEOXY-D-GLUCURONIC ACID;
    4-deoxy-beta-D-glucuronic acid;
    4-deoxy-glucuronic acid
    21813 GC5 4 C17 H31 N2 O8 P S InChI=1S/C17H31N2O8PS/c1-
    4-5-6-7-14(21)29-11-10-18
    -13(20)8-9-19-16(23)15(22
    )17(2,3)12-27-28(24,25)26
    /h6-7,15,22H,4-5,8-12H2,1
    -3H3,(H,18,20)(H,19,23)(H
    2,24,25,26)/b7-6-/t15-/m0
    /s1;
    IGFUSVMDVYHKKE-XHPSBEMXSA-N    		 CCCC=CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(
    C)CO[P](O)(O)=O; CCC\C=C/C(=O)SCCNC(=O)C
    CNC(=O)[C@H](O)C(C)(C)CO[P](O)(O)=O; CCC
    C=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O
    )(O)O)O; CCC/C=C\C(=O)SCCNC(=O)CCNC(=O)[
    C@@H](C(C)(C)COP(=O)(O)O)O    		 S-[2-[3-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (Z)-hex-2-enethioate
    21814 GC6 1 C26 H30 N6 O2 InChI=1S/C26H30N6O2/c27-1
    9-5-4-14-31(16-19)24(33)2
    1-17-32(23-9-13-29-25(28)
    30-23)22-15-18(6-7-20(21)
    22)8-12-26(34)10-2-1-3-11
    -26/h6-7,9,13,15,17,19,34
    H,1-5,10-11,14,16,27H2,(H
    2,28,29,30)/t19-/m1/s1;
    DADSGHOHYQROCR-LJQANCHMSA-N    		 N[C@@H]1CCCN(C1)C(=O)c2cn(c3ccnc(N)n3)c4
    cc(ccc24)C#CC5(O)CCCCC5; c1cc2c(cc1C#CC3
    (CCCCC3)O)n(cc2C(=O)N4CCC[C@H](C4)N)c5cc
    nc(n5)N; c1cc2c(cc1C#CC3(CCCCC3)O)n(cc2C
    (=O)N4CCCC(C4)N)c5ccnc(n5)N; N[CH]1CCCN(
    C1)C(=O)c2cn(c3ccnc(N)n3)c4cc(ccc24)C#CC
    5(O)CCCCC5    		 [(3R)-3-azanylpiperidin-1-yl]-[1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]methanone
    21815 GC7
    DB03639
    ZINC000019331254    		 6 C8 H22 N4 InChI=1S/C8H22N4/c9-6-4-2
    -1-3-5-7-12-8(10)11/h8,12
    H,1-7,9-11H2;
    SKGAVCHIFDRDTK-UHFFFAOYSA-N    		 NC(N)NCCCCCCCN; C(CCCN)CCCNC(N)N; NCCCCC
    CCNC(N)N    		 1-GUANIDINIUM-7-AMINOHEPTANE
    21816 GC8
    CHEMBL1459580
    ZINC000004991007    		 2 C20 H22 Cl2 N2 O2 InChI=1S/C20H22Cl2N2O2/c2
    1-16-6-9-19(18(22)12-16)2
    6-14-20(25)23-17-7-4-15(5
    -8-17)13-24-10-2-1-3-11-2
    4/h4-9,12H,1-3,10-11,13-1
    4H2,(H,23,25);
    KHNVQJDWUHRVDK-UHFFFAOYSA-N    		 c1cc(ccc1CN2CCCCC2)NC(=O)COc3ccc(cc3Cl)C
    l; Clc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c
    (Cl)c1; Clc3ccc(OCC(=O)Nc1ccc(cc1)CN2CCC
    CC2)c(Cl)c3    		 2-(2,4-dichlorophenoxy)-N-[4-(1-piperidinylmethyl)phenyl]acetamide
    21817 GC9 4 C11 H17 N O9 InChI=1S/C11H17NO9/c13-2-
    5(16)9(18)10-8(12-7(17)3-
    14)4(15)1-6(21-10)11(19)2
    0/h1,4-5,8-10,13-16,18H,2
    -3H2,(H,12,17)(H,19,20)/t
    4-,5+,8+,9-,10+/m0/s1;
    FDONZIZJWIPGCO-CYVDNQRASA-N    		 C1=C(O[C@H]([C@@H]([C@H]1O)NC(=O)CO)[C@H
    ]([C@@H](CO)O)O)C(=O)O; OC[CH](O)[CH](O)
    [CH]1OC(=C[CH](O)[CH]1NC(=O)CO)C(O)=O; O
    C[C@@H](O)[C@H](O)[C@@H]1OC(=C[C@H](O)[C
    @H]1NC(=O)CO)C(O)=O; C1(C=C(C(O)=O)OC(C1
    NC(CO)=O)C(C(O)CO)O)O; C1=C(OC(C(C1O)NC(
    =O)CO)C(C(CO)O)O)C(=O)O    		 2,6-anhydro-3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-L-altro-non-2-enonic acid
    21818 GCA
    CHEMBL319139
    DB07820
    ZINC000002008220    		 1 C19 H26 N2 O3 InChI=1S/C19H26N2O3/c1-6-
    24-11-21-16(10-15-8-13(4)
    7-14(5)9-15)17(12(2)3)18(
    22)20-19(21)23/h7-9,12H,6
    ,10-11H2,1-5H3,(H,20,22,2
    3);
    NVGVZWUORYLPAL-UHFFFAOYSA-N    		 O=C1C(=C(N(C(=O)N1)COCC)Cc2cc(cc(c2)C)C)
    C(C)C; CCOCN1C(=C(C(=O)NC1=O)C(C)C)Cc2cc
    (cc(c2)C)C; CCOCN1C(=O)NC(=O)C(=C1Cc2cc(
    C)cc(C)c2)C(C)C    		 6-(3',5'-DIMETHYLBENZYL)-1-ETHOXYMETHYL-5-ISOPROPYLURACIL;
    GCA-186
    21819 GCB
    CHEMBL4589322    		 6 C6 H8 O7 InChI=1S/C6H8O7/c7-1-2(8)
    4(5(10)11)13-6(12)3(1)9/h
    1-4,7-9H,(H,10,11)/t1-,2-
    ,3+,4-/m0/s1;
    YLKFQNUGXOLRNI-QDQPNEQZSA-N    		 [C@@H]1([C@@H]([C@H](OC(=O)[C@@H]1O)C(=O
    )O)O)O; O=C1OC(C(=O)O)C(O)C(O)C1O; C1(C(
    C(OC(=O)C1O)C(=O)O)O)O; O[CH]1[CH](O)[CH
    ](OC(=O)[CH]1O)C(O)=O; O[C@H]1[C@H](O)[C
    @H](OC(=O)[C@@H]1O)C(O)=O    		 (2S,3S,4S,5R)-3,4,5-trihydroxy-6-oxo-oxane-2-carboxylic acid;
    D-GLUCARO-1,5-LACTONE
    21820 GCC 1 C26 H30 N6 O2 InChI=1S/C26H30N6O2/c1-18
    -16-31(14-13-28-18)24(33)
    21-17-32(23-8-12-29-25(27
    )30-23)22-15-19(5-6-20(21
    )22)7-11-26(34)9-3-2-4-10
    -26/h5-6,8,12,15,17-18,28
    ,34H,2-4,9-10,13-14,16H2,
    1H3,(H2,27,29,30)/t18-/m0
    /s1;
    SYJOLNGRHPSSMR-SFHVURJKSA-N    		 C[C@H]1CN(CCN1)C(=O)c2cn(c3c2ccc(c3)C#CC
    4(CCCCC4)O)c5ccnc(n5)N; C[C@H]1CN(CCN1)C
    (=O)c2cn(c3ccnc(N)n3)c4cc(ccc24)C#CC5(O)
    CCCCC5; C[CH]1CN(CCN1)C(=O)c2cn(c3ccnc(N
    )n3)c4cc(ccc24)C#CC5(O)CCCCC5; CC1CN(CCN
    1)C(=O)c2cn(c3c2ccc(c3)C#CC4(CCCCC4)O)c5
    ccnc(n5)N    		 [1-(2-azanylpyrimidin-4-yl)-6-[2-(1-oxidanylcyclohexyl)ethynyl]indol-3-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
    21821 GCD
    DB02305    		 48 C6 H8 O6 InChI=1S/C6H8O6/c7-2-1-3(
    5(9)10)12-6(11)4(2)8/h1-2
    ,4,6-8,11H,(H,9,10)/t2-,4
    +,6+/m0/s1;
    IAKKJSVSFCTLRY-YKKSOZKNSA-N    		 C1=C(OC(C(C1O)O)O)C(=O)O; O[C@@H]1OC(=C[
    C@H](O)[C@H]1O)C(O)=O; O[CH]1OC(=C[CH](O
    )[CH]1O)C(O)=O; C1=C(O[C@H]([C@@H]([C@H]
    1O)O)O)C(=O)O; O=C(O)C=1OC(O)C(O)C(O)C=1    		 4-deoxy-alpha-L-threo-hex-4-enopyranuronic acid;
    4,5-DEHYDRO-D-GLUCURONIC ACID;
    4-deoxy-alpha-L-threo-hex-4-enuronic acid;
    4-deoxy-L-threo-hex-4-enuronic acid;
    4-deoxy-threo-hex-4-enuronic acid
    21822 GCE
    CHEMBL2347655
    DB06040
    ZINC000043204022    		 5 C20 H22 F2 N4 O2 S InChI=1S/C20H22F2N4O2S/c1
    -25(28-2)19(27)26-20(11-6
    -12-23,14-7-4-3-5-8-14)29
    -18(24-26)16-13-15(21)9-1
    0-17(16)22/h3-5,7-10,13H,
    6,11-12,23H2,1-2H3/t20-/m
    0/s1;
    LLXISKGBWFTGEI-FQEVSTJZSA-N    		 CON(C)C(=O)N1N=C(S[C]1(CCCN)c2ccccc2)c3c
    c(F)ccc3F; CN(C(=O)N1C(SC(=N1)c2cc(ccc2F
    )F)(CCCN)c3ccccc3)OC; CN(C(=O)N1[C@](SC(
    =N1)c2cc(ccc2F)F)(CCCN)c3ccccc3)OC; CON(
    C)C(=O)N1N=C(S[C@@]1(CCCN)c2ccccc2)c3cc(
    F)ccc3F    		 (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide
    21823 GCF 5 C27 H25 F3 N4 O3 InChI=1S/C27H25F3N4O3/c1-
    14(2)26(21(13-31)24(32)37
    -25-23(26)15(3)33-34-25)1
    9-10-18(11-20(12-19)27(28
    ,29)30)17-6-4-5-16(9-17)7
    -8-22(35)36/h4-6,9-12,14H
    ,7-8,32H2,1-3H3,(H,33,34)
    (H,35,36)/t26-/m0/s1;
    ULXPNGMLUPLOIA-SANMLTNESA-N    		 Cc1c2c(n[nH]1)OC(=C(C2(c3cc(cc(c3)C(F)(F
    )F)c4cccc(c4)CCC(=O)O)C(C)C)C#N)N; CC(C)
    [C@]1(c2cc(cc(c2)C(F)(F)F)c3cccc(CCC(O)=
    O)c3)C(=C(N)Oc4n[nH]c(C)c14)C#N; Cc1c2c(
    n[nH]1)OC(=C([C@@]2(c3cc(cc(c3)C(F)(F)F)
    c4cccc(c4)CCC(=O)O)C(C)C)C#N)N; CC(C)[C]
    1(c2cc(cc(c2)C(F)(F)F)c3cccc(CCC(O)=O)c3
    )C(=C(N)Oc4n[nH]c(C)c14)C#N    		 3-[3-[3-[(4~{S})-6-azanyl-5-cyano-3-methyl-4-propan-2-yl-2~{H}-pyrano[2,3-c]pyrazol-4-yl]-5-(trifluoromethyl)phenyl]phenyl]propanoic acid
    21824 GCG
    DB03470
    ZINC000008217540    		 15 C27 H49 N9 O10 S2 InChI=1S/C27H49N9O10S2/c2
    8-16(26(43)44)4-6-20(37)3
    5-18(14-47)24(41)33-12-22
    (39)31-10-2-1-8-30-9-3-11
    -32-23(40)13-34-25(42)19(
    15-48)36-21(38)7-5-17(29)
    27(45)46/h16-19,30,47-48H
    ,1-15,28-29H2,(H,31,39)(H
    ,32,40)(H,33,41)(H,34,42)
    (H,35,37)(H,36,38)(H,43,4
    4)(H,45,46)/t16-,17-,18-,
    19-/m0/s1;
    PHDOXVGRXXAYEB-VJANTYMQSA-N    		 C(CCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O)N
    )CNCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(C(=O)O
    )N; C(CCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C
    @@H](C(=O)O)N)CNCCCNC(=O)CNC(=O)[C@H](CS
    )NC(=O)CC[C@@H](C(=O)O)N; N[CH](CCC(=O)N
    [CH](CS)C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=
    O)[CH](CS)NC(=O)CC[CH](N)C(O)=O)C(O)=O;
    O=C(NCC(=O)NCCCNCCCCNC(=O)CNC(=O)C(NC(=O
    )CCC(C(=O)O)N)CS)C(NC(=O)CCC(C(=O)O)N)CS
    ; N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)
    NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[
    C@H](N)C(O)=O)C(O)=O    		 BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE;
    TRYPANOTHIONE
    21825 GCH
    CHEMBL411070
    ZINC000008143774    		 26 C26 H43 N O6 InChI=1S/C26H43NO6/c1-14(
    4-7-22(31)27-13-23(32)33)
    17-5-6-18-24-19(12-21(30)
    26(17,18)3)25(2)9-8-16(28
    )10-15(25)11-20(24)29/h14
    -21,24,28-30H,4-13H2,1-3H
    3,(H,27,31)(H,32,33)/t14-
    ,15+,16-,17-,18+,19+,20-,
    21+,24+,25+,26-/m1/s1;
    RFDAIACWWDREDC-FRVQLJSFSA-N    		 C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@
    @H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[
    C@H]3C[C@H](O)[C@]12C; O=C(O)CNC(=O)CCC(
    C3CCC2C1C(O)CC4CC(O)CCC4(C)C1CC(O)C23C)C
    ; C[CH](CCC(=O)NCC(O)=O)[CH]1CC[CH]2[CH]
    3[CH](O)C[CH]4C[CH](O)CC[C]4(C)[CH]3C[CH
    ](O)[C]12C; C[C@H](CCC(=O)NCC(=O)O)[C@H]
    1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@
    H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C; C
    C(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C
    3(CCC(C4)O)C)O)O)C    		 GLYCOCHOLIC ACID;
    N-CHOLYLGLYCINE
    21826 GCI
    CHEMBL5186985    		 1 C34 H38 N6 O9 S2 InChI=1S/C34H38N6O9S2/c1-
    48-25-8-12-27(13-9-25)51(
    46,47)40(23-33(36)42)31-1
    5-14-30(28-4-2-3-5-29(28)
    31)39(22-32(35)41)50(44,4
    5)26-10-6-24(7-11-26)37-3
    4(43)16-17-38-18-20-49-21
    -19-38/h2-15H,16-23H2,1H3
    ,(H2,35,41)(H2,36,42)(H,3
    7,43);
    LPZLKTRPPNJXSS-UHFFFAOYSA-N    		 COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N
    (CC(N)=O)[S](=O)(=O)c3ccc(NC(=O)CCN4CCOC
    C4)cc3)c5ccccc25; COc1ccc(cc1)S(=O)(=O)N
    (CC(=O)N)c2ccc(c3c2cccc3)N(CC(=O)N)S(=O)
    (=O)c4ccc(cc4)NC(=O)CCN5CCOCC5    		 N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide
    21827 GCK 0 C18 H24 N6 O9 P InChI=1S/C18H23N6O9P/c19-
    17(20)21-4-5-30-10-2-1-3-
    11-15(10)22-16-12(32-11)7
    -24(18(26)23-16)14-6-9(25
    )13(33-14)8-31-34(27,28)2
    9/h1-3,7,9,13-14,25H,4-6,
    8H2,(H4,19,20,21)(H,22,23
    ,26)(H2,27,28,29)/p+1/t9-
    ,13+,14+/m0/s1;
    GCBWWBGDWVGEAS-CUOATXAZSA-O    		 NC(=[NH2+])NCCOc1cccc2OC3=CN([CH]4C[CH](
    O)[CH](CO[P](O)(O)=O)O4)C(=O)N=C3Nc12; O
    =C3N=C2C(Oc1cccc(OCCNC(=[NH2+])\N)c1N2)=
    CN3C4OC(C(O)C4)COP(=O)(O)O; c1cc2c(c(c1)
    OCCNC(=[NH2+])N)NC3=NC(=O)N(C=C3O2)[C@H]
    4C[C@@H]([C@H](O4)COP(=O)(O)O)O; c1cc2c(
    c(c1)OCCNC(=[NH2+])N)NC3=NC(=O)N(C=C3O2)
    C4CC(C(O4)COP(=O)(O)O)O; NC(=[NH2+])NCCO
    c1cccc2OC3=CN([C@H]4C[C@H](O)[C@@H](CO[P
    ](O)(O)=O)O4)C(=O)N=C3Nc12    		 PHOSPHORIC ACID 9-(2-GUANIDINOETHOXY-3-(2-DEOXY-BETA-D-ERYTHROPENTOFURANOSYL))-3H-PYRIMIDO-[5,4-B][1,4]-BENZOOXAZIN-2-ONE]-5'-ESTER
    21828 GCL 0 C14 H29 N O2 InChI=1/C14H29NO2/c1-10(2
    )8-13(16)14(17)12(15)9-11
    -6-4-3-5-7-11/h10-14,16-1
    7H,3-9,15H2,1-2H3/t12-,13
    -,14+/m0/s1;
    KGYZGGUJJIVOQX-MELADBBJBU    		 CC(C)CC(C(C(CC1CCCCC1)N)O)O; CC(C)C[CH](
    O)[CH](O)[CH](N)CC1CCCCC1; CC(C)C[C@H](O
    )[C@H](O)[C@@H](N)CC1CCCCC1; OC(CC(C)C)C
    (O)C(N)CC1CCCCC1; CC(C)C[C@@H]([C@@H]([C
    @H](CC1CCCCC1)N)O)O    		 1-CYCLOHEXYL-2-AMINO-3,4-DIHYDROXY-6-METHYLHEPTANE
    21829 GCM 0 C3 H7 N O InChI=1/C3H7NO/c1-3(5)2-4
    /h2,4H2,1H3;
    BCDGQXUMWHRQCB-UHFFFAOYAB    		 O=C(C)CN; CC(=O)CN GLYCYLMETHYLENE GROUP
    21830 GCN
    DB02700    		 0 C6 H13 N O4 InChI=1S/C6H13NO4/c7-3-1-
    4(9)5(2-8)11-6(3)10/h3-6,
    8-10H,1-2,7H2/t3-,4+,5-,6
    +/m1/s1;
    SNDZDGQLFKEBLF-MOJAZDJTSA-N    		 C1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O)N; N[
    CH]1C[CH](O)[CH](CO)O[CH]1O; N[C@@H]1C[C
    @H](O)[C@@H](CO)O[C@@H]1O; C1C(C(OC(C1O)
    CO)O)N; OC1C(OC(O)C(N)C1)CO    		 2-amino-2,3-dideoxy-alpha-D-glucoyranose;
    3-DEOXY-D-GLUCOSAMINE;
    3-deoxy-alpha-D-glucosamine
    21831 GCO
    CHEMBL464345
    DB13180
    ZINC000001531008    		 36 C6 H12 O7 InChI=1S/C6H12O7/c7-1-2(8
    )3(9)4(10)5(11)6(12)13/h2
    -5,7-11H,1H2,(H,12,13)/t2
    -,3-,4+,5-/m1/s1;
    RGHNJXZEOKUKBD-SQOUGZDYSA-N    		 C([C@H]([C@H]([C@@H]([C@H](C(=O)O)O)O)O)
    O)O; C(C(C(C(C(C(=O)O)O)O)O)O)O; OC[CH](
    O)[CH](O)[CH](O)[CH](O)C(O)=O; OC[C@@H](
    O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O; O=C(
    O)C(O)C(O)C(O)C(O)CO    		 D-gluconic acid;
    GLUCONIC ACID
    21832 GCP
    DB03725
    ZINC000008220535    		 0 C11 H18 N5 O13 P3 InChI=1S/C11H18N5O13P3/c1
    2-11-14-8-5(9(19)15-11)13
    -2-16(8)10-7(18)6(17)4(28
    -10)1-27-32(25,26)29-31(2
    3,24)3-30(20,21)22/h2,4,6
    -7,10,17-18H,1,3H2,(H,23,
    24)(H,25,26)(H2,20,21,22)
    (H3,12,14,15,19)/t4-,6-,7
    -,10-/m1/s1;
    PHBDHXOBFUBCJD-KQYNXXCUSA-N    		 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO
    [P@](=O)(O)O[P@@](=O)(CP(=O)(O)O)O)O)O)N
    =C(NC2=O)N; c1nc2c(n1C3C(C(C(O3)COP(=O)(
    O)OP(=O)(CP(=O)(O)O)O)O)O)N=C(NC2=O)N; N
    C1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(
    =O)O[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3O
    ; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[
    P@@](O)(=O)O[P@@](O)(=O)C[P](O)(O)=O)[C@
    @H](O)[C@H]3O; O=P(O)(O)CP(=O)(O)OP(=O)(
    O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O    		 PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
    21833 GCQ 1 C9 H13 F2 N3 O10 P2 InChI=1S/C9H13F2N3O10P2/c
    10-9(11)6(15)4(3-22-26(20
    ,21)24-25(17,18)19)23-7(9
    )14-2-1-5(12)13-8(14)16/h
    1-2,4,6-7,15H,3H2,(H,20,2
    1)(H2,12,13,16)(H2,17,18,
    19)/t4-,6-,7-/m1/s1;
    FRQISCZGNNXEMD-QPPQHZFASA-N    		 C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP
    (=O)(O)O)O)(F)F; NC1=NC(=O)N(C=C1)[C@@H]
    2O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H
    ](O)C2(F)F; O=P(O)(O)OP(=O)(O)OCC2OC(N1C
    (=O)N=C(N)C=C1)C(F)(F)C2O; C1=CN(C(=O)N=
    C1N)[C@H]2C([C@@H]([C@H](O2)CO[P@](=O)(O
    )OP(=O)(O)O)O)(F)F; NC1=NC(=O)N(C=C1)[CH
    ]2O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)
    C2(F)F    		 GEMCITABINE DIPHOSPHATE;
    ((2R,3R,5R)-5-(4-AMINO-2-OXOPYRIMIDIN-1(2H)-YL)-4,4-DIFLUORO-3-HYDROXYTETRAHYDROFURAN-2-YL)METHYL TRIHYDROGEN DIPHOSPHATE
    21834 GCR 1 C28 H44 Ga N9 O13 InChI=1S/C28H44N9O13.Ga/c
    1-16(39)35(48)10-4-7-19-2
    5(44)29-14-24(43)32-22(15
    -38)26(45)30-13-23(42)31-
    20(8-5-11-36(49)17(2)40)2
    7(46)34-21(28(47)33-19)9-
    6-12-37(50)18(3)41;/h19-2
    2,38H,4-15H2,1-3H3,(H,29,
    44)(H,30,45)(H,31,42)(H,3
    2,43)(H,33,47)(H,34,46);/
    q-3;+3/t19-,20-,21-,22?;/
    m0./s1;
    BEDMDXBTNSVNGS-GSJIPYROSA-N    		 CC1=O[Ga]2345O=C(N(O2)CCCC6C(=O)NCC(=O)N
    C(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN(O4
    )C(=O5)C)C(=O)N6)CO)C; CC1=O[Ga]2345O=C(
    N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@H](C(=O)NC
    C(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H](CCCN(O
    4)C(=O5)C)C(=O)N6)CO)C; CC1=O|[Ga]2|345|
    O=C(C)[N@](CCC[C@@H]6NC(=O)[C@H](CCC[N@]
    (O2)C(=O|3)C)NC(=O)[C@H](CCC[N@@]1O4)NC(
    =O)CNC(=O)[C@H](CO)NC(=O)CNC6=O)O5; CC1=
    O|[Ga]2|345|O=C(C)[N](CCC[CH]6NC(=O)[CH]
    (CCC[N](O2)C(=O|3)C)NC(=O)[CH](CCC[N]1O4
    )NC(=O)CNC(=O)[CH](CO)NC(=O)CNC6=O)O5    		 GALLICHROME
    21835 GCS
    CHEMBL234432
    ZINC000003860468    		 88 C6 H13 N O5 InChI=1S/C6H13NO5/c7-3-5(
    10)4(9)2(1-8)12-6(3)11/h2
    -6,8-11H,1,7H2/t2-,3-,4-,
    5-,6-/m1/s1;
    MSWZFWKMSRAUBD-QZABAPFNSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)
    N)O)O)O; N[CH]1[CH](O)O[CH](CO)[CH](O)[C
    H]1O; C(C1C(C(C(C(O1)O)N)O)O)O; N[C@H]1[
    C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O; OC1C
    (O)C(OC(O)C1N)CO    		 2-amino-2-deoxy-beta-D-glucopyranose;
    beta-D-glucosamine;
    2-amino-2-deoxy-beta-D-glucose;
    2-amino-2-deoxy-D-glucose;
    2-amino-2-deoxy-glucose;
    D-GLUCOSAMINE
    21836 GCT
    DB02227    		 3 C6 H10 O5 InChI=1S/C6H10O5/c7-3-1-5
    (6(9)10)11-2-4(3)8/h3-5,7
    -8H,1-2H2,(H,9,10)/t3-,4-
    ,5-/m0/s1;
    YRPRHLNMFWDGSL-YUPRTTJUSA-N    		 C1[C@@H]([C@H](CO[C@@H]1C(=O)O)O)O; O[C@
    H]1CO[C@@H](C[C@@H]1O)C(O)=O; C1C(C(COC1
    C(=O)O)O)O; O[CH]1CO[CH](C[CH]1O)C(O)=O;
    O=C(O)C1OCC(O)C(O)C1    		 2,6-anhydro-3-deoxy-L-xylo-hexonic acid;
    4,5-DIHYDROXY-TETRAHYDRO-PYRAN-2-CARBOXYLIC ACID
    21837 GCU
    ZINC000004213449    		 42 C6 H10 O7 InChI=1S/C6H10O7/c7-1-2(8
    )4(5(10)11)13-6(12)3(1)9/
    h1-4,6-9,12H,(H,10,11)/t1
    -,2-,3+,4-,6-/m0/s1;
    AEMOLEFTQBMNLQ-WAXACMCWSA-N    		 [C@@H]1([C@@H]([C@H](O[C@@H]([C@@H]1O)O)
    C(=O)O)O)O; O[C@H]1O[C@@H]([C@@H](O)[C@H
    ](O)[C@H]1O)C(O)=O; C1(C(C(OC(C1O)O)C(=O
    )O)O)O; O[CH]1O[CH]([CH](O)[CH](O)[CH]1O
    )C(O)=O; O=C(O)C1OC(O)C(O)C(O)C1O    		 alpha-D-glucopyranuronic acid;
    alpha-D-glucuronic acid;
    D-glucuronic acid;
    glucuronic acid
    21838 GCV
    CHEMBL187785
    DB04303    		 26 C7 H12 O7 InChI=1S/C7H12O7/c1-13-4-
    2(8)3(9)7(12)14-5(4)6(10)
    11/h2-5,7-9,12H,1H3,(H,10
    ,11)/t2-,3-,4+,5+,7+/m1/s
    1;
    WGLLPAPKWFDHHV-NRGGUMNKSA-N    		 COC1C(C(C(OC1C(=O)O)O)O)O; CO[C@H]1[C@@H
    ]([C@H]([C@H](O[C@@H]1C(=O)O)O)O)O; CO[C
    H]1[CH](O)[CH](O)[CH](O)O[CH]1C(O)=O; CO
    [C@H]1[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]1
    C(O)=O; O=C(O)C1OC(O)C(O)C(O)C1OC    		 4-O-methyl-alpha-D-glucopyranuronic acid;
    4-O-METHYL-ALPHA-D-GLUCURONIC ACID;
    4-O-methyl-D-glucuronic acid;
    4-O-methyl-glucuronic acid
    21839 GCW
    DB02722    		 1 C7 H12 O7 InChI=1S/C7H12O7/c1-13-4-
    2(8)3(9)7(12)14-5(4)6(10)
    11/h2-5,7-9,12H,1H3,(H,10
    ,11)/t2-,3-,4+,5+,7-/m1/s
    1;
    WGLLPAPKWFDHHV-RLZVPWTLSA-N    		 CO[C@H]1[C@@H]([C@H]([C@@H](O[C@@H]1C(=O
    )O)O)O)O; COC1C(C(C(OC1C(=O)O)O)O)O; CO[
    CH]1[CH](O)[CH](O)[CH](O)O[CH]1C(O)=O; O
    =C(O)C1OC(O)C(O)C(O)C1OC; CO[C@H]1[C@H](
    O)[C@@H](O)[C@H](O)O[C@@H]1C(O)=O    		 4-O-methyl-beta-D-glucopyranuronic acid;
    4-O-METHYL-BETA-D-GLUCURONIC ACID;
    4-O-methyl-D-glucuronic acid;
    4-O-methyl-glucuronic acid
    21840 GCY
    ZINC000085551900    		 6 C48 H93 N O8 InChI=1S/C48H93NO8/c1-3-5
    -7-9-11-13-15-17-18-19-20
    -21-22-23-24-26-28-30-32-
    34-36-38-44(52)49-41(40-5
    6-48-47(55)46(54)45(53)43
    (39-50)57-48)42(51)37-35-
    33-31-29-27-25-16-14-12-1
    0-8-6-4-2/h35,37,41-43,45
    -48,50-51,53-55H,3-34,36,
    38-40H2,1-2H3,(H,49,52)/b
    37-35+/t41-,42+,43+,45-,4
    6-,47+,48+/m0/s1;
    POQRWMRXUOPCLD-HIIAJUEOSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C
    (C(O1)CO)O)O)O)C(C=CCCCCCCCCCCCCC)O; CCC
    CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H
    ]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H
    ](O)/C=C/CCCCCCCCCCCCC; O=C(NC(COC1OC(C(
    O)C(O)C1O)CO)C(O)/C=C/CCCCCCCCCCCCC)CCCC
    CCCCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCCC
    CCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[C
    H](O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC; CCC
    CCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]
    1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)[C
    @@H](C=CCCCCCCCCCCCCC)O    		 N-[(2S,3R)-1-(beta-D-galactopyranosyloxy)-3-hydroxyoctadec-4-en-2-yl]tetracosanamide;
    beta-Galactosylceramide, Ceramide beta-D-galactoside
    21841 GCZ
    DB01120
    ZINC000012461841    		 2 C15 H21 N3 O3 S InChI=1S/C15H21N3O3S/c1-1
    1-5-7-14(8-6-11)22(20,21)
    17-15(19)16-18-9-12-3-2-4
    -13(12)10-18/h5-8,12-13H,
    2-4,9-10H2,1H3,(H2,16,17,
    19)/t12-,13+;
    BOVGTQGAOIONJV-BETUJISGSA-N    		 Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C[C@H]3CCC[
    C@H]3C2; O=C(NN2CC1CCCC1C2)NS(=O)(=O)c3c
    cc(cc3)C; Cc1ccc(cc1)S(=O)(=O)NC(=O)NN2C
    C3CCCC3C2; Cc1ccc(cc1)[S](=O)(=O)NC(=O)N
    N2C[CH]3CCC[CH]3C2; Cc1ccc(cc1)[S](=O)(=
    O)NC(=O)NN2C[C@H]3CCC[C@H]3C2    		 N-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-ylcarbamoyl]-4-methylbenzenesulfonamide;
    gliclazide
    21842 GD
    DB12091    		 0 Gd InChI=1S/Gd;
    UIWYJDYFSGRHKR-UHFFFAOYSA-N    		 [Gd] GADOLINIUM ATOM
    21843 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
    21844 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
    21845 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
    21846 GD3
    DB14578    		 1 Gd InChI=1S/Gd/q+3;
    RJOJUSXNYCILHH-UHFFFAOYSA-N    		 [Gd+3] GADOLINIUM ION
    21847 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)
    21848 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
    21849 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
    21850 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
    21851 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
    21852 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
    21853 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
    21854 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
    21855 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
    21856 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
    21857 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
    21858 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
    21859 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
    21860 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
    21861 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
    21862 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
    21863 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
    21864 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
    21865 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)
    21866 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
    21867 GDP
    CHEMBL384759
    DB04315
    ZINC000008215481    		 6918 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
    21868 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
    21869 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
    21870 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
    21871 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
    21872 GDU
    CHEMBL439009
    DB03501
    ZINC000008551104    		 120 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
    21873 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
    21874 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
    21875 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
    21876 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
    21877 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
    21878 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
    21879 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
    21880 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
    21881 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
    21882 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
    21883 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
    21884 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
    21885 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
    21886 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
    21887 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
    21888 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
    21889 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
    21890 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
    21891 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
    21892 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
    21893 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
    21894 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
    21895 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
    21896 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
    21897 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
    21898 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
    21899 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
    21900 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
    21901 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
    21902 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
    21903 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
    21904 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)
    21905 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
    21906 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
    21907 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
    21908 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
    21909 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
    21910 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
    21911 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
    21912 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
    21913 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
    21914 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)
    21915 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]
    21916 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
    21917 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
    21918 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
    21919 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
    21920 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
    21921 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
    21922 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
    21923 GFB
    CHEMBL1229250
    DB18689
    ZINC000008551145    		 40 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
    21924 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
    21925 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
    21926 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
    21927 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
    21928 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
    21929 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
    21930 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
    21931 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
    21932 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
    21933 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
    21934 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
    21935 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
    21936 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
    21937 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
    21938 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
    21939 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
    21940 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
    21941 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
    21942 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
    21943 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
    21944 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
    21945 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
    21946 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
    21947 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
    21948 GG2
    CHEMBL231779
    DB06605
    ZINC000011677837    		 8 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
    21949 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)
    21950 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-]
    21951 GG5
    CHEMBL1233024
    DB07829
    ZINC000016052350    		 12 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
    21952 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
    21953 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
    21954 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
    21955 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
    21956 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
    21957 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
    21958 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
    21959 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
    21960 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
    21961 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
    21962 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
    21963 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
    21964 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
    21965 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
    21966 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
    21967 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
    21968 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
    21969 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
    21970 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
    21971 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
    21972 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
    21973 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
    21974 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
    21975 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
    21976 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
    21977 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
    21978 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
    21979 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
    21980 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
    21981 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
    21982 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
    21983 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
    21984 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
    21985 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
    21986 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
    21987 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
    21988 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
    21989 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
    21990 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
    21991 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
    21992 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
    21993 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
    21994 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
    21995 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
    21996 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
    21997 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)
    21998 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
    21999 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
    22000 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
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).