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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    27601
    L1G
    CHEMBL314627    		 2 C33 H39 N9 O2 InChI=1S/C33H39N9O2/c1-39
    -14-16-41(17-15-39)23-9-1
    1-24(12-10-23)42-32-29(31
    (34)35-20-36-32)30(38-42)
    22-8-13-25(28(19-22)44-3)
    37-33(43)27-18-21-6-4-5-7
    -26(21)40(27)2/h4-8,13,18
    -20,23-24H,9-12,14-17H2,1
    -3H3,(H,37,43)(H2,34,35,3
    6)/t23-,24-;
    STVKLDUINKMZFE-RQNOJGIXSA-N    		 Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(nc
    nc5n(n4)C6CCC(CC6)N7CCN(CC7)C)N; COc1cc(
    ccc1NC(=O)c2cc3ccccc3n2C)c4nn([CH]5CC[CH
    ](CC5)N6CCN(C)CC6)c7ncnc(N)c47; O=C(c2cc
    1ccccc1n2C)Nc3ccc(cc3OC)c5nn(c4ncnc(N)c4
    5)C7CCC(N6CCN(CC6)C)CC7; COc1cc(ccc1NC(=
    O)c2cc3ccccc3n2C)c4nn([C@H]5CC[C@@H](CC5
    )N6CCN(C)CC6)c7ncnc(N)c47    		 N-(4-{4-AMINO-1-[4-(4-METHYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE
    27602
    L1H
    CHEMBL4591327    		 1 C23 H21 F N4 O2 InChI=1S/C23H21FN4O2/c1-2
    3(2,30)14-28-20-8-4-3-7-1
    9(20)26-22(28)27-21(29)17
    -10-16(11-18(24)12-17)15-
    6-5-9-25-13-15/h3-13,30H,
    14H2,1-2H3,(H,26,27,29);
    DJZWMTBYRCKZMQ-UHFFFAOYSA-N    		 CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc(cc(c3)F)c
    4cccnc4)O; CC(C)(O)Cn1c(NC(=O)c2cc(F)cc(
    c2)c3cccnc3)nc4ccccc14    		 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide
    27603
    L1J
    CHEMBL68908
    ZINC000000404256    		 0 C10 H13 N5 O4 InChI=1S/C10H13N5O4/c11-1
    0-13-8-7(9(18)14-10)12-3-
    15(8)6-1-4(17)5(2-16)19-6
    /h3-6,16-17H,1-2H2,(H3,11
    ,13,14,18)/t4-,5+,6+/m0/s
    1;
    YKBGVTZYEHREMT-KVQBGUIXSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](C
    O)O3; c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO
    )O)N=C(NC2=O)N; c1nc2c(n1C3CC(C(O3)CO)O)
    N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3
    C[C@H](O)[C@@H](CO)O3    		 2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one
    27604
    L1K
    CHEMBL4434788    		 1 C23 H22 N4 O2 InChI=1S/C23H22N4O2/c1-23
    (2,29)15-27-20-11-7-6-10-
    18(20)25-22(27)26-21(28)1
    7-12-13-24-19(14-17)16-8-
    4-3-5-9-16/h3-14,29H,15H2
    ,1-2H3,(H,25,26,28);
    UDMIRQWCOXFLHS-UHFFFAOYSA-N    		 CC(C)(O)Cn1c(NC(=O)c2ccnc(c2)c3ccccc3)nc
    4ccccc14; CC(C)(Cn1c2ccccc2nc1NC(=O)c3cc
    nc(c3)c4ccccc4)O    		 ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide
    27605
    L1L    		 0 C6 H14 N O8 P InChI=1S/C6H14NO8P/c7-3-5
    (10)4(9)2(1-8)14-6(3)15-1
    6(11,12)13/h2-6,8-10H,1,7
    H2,(H2,11,12,13)/t2-,3-,4
    -,5-,6-/m1/s1;
    YMJBYRVFGYXULK-QZABAPFNSA-N    		 N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[P](O
    )(O)=O; N[C@@H]1[C@@H](O)[C@H](O)[C@@H](
    CO)O[C@@H]1O[P](O)(O)=O; C([C@@H]1[C@H](
    [C@@H]([C@H]([C@H](O1)OP(=O)(O)O)N)O)O)O
    ; C(C1C(C(C(C(O1)OP(=O)(O)O)N)O)O)O    		 2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose;
    [(2R,3R,4R,5S,6R)-3-azanyl-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl] dihydrogen phosphate;
    2-amino-2-deoxy-1-O-phosphono-alpha-D-glucose;
    2-amino-2-deoxy-1-O-phosphono-D-glucose;
    2-amino-2-deoxy-1-O-phosphono-glucose
    27606
    L1M    		 4 C8 H19 N2 O2 P InChI=1S/C8H19N2O2P/c1-5-
    10(6-2)8(4)9-13(11)12-7-3
    /h13H,5-7H2,1-4H3/b9-8+;
    OJNAFPOCQGTUIK-CMDGGOBGSA-N    		 CCO[PH](=O)N=C(C)N(CC)CC; C(C)N(/C(C)=N/
    P(OCC)=O)CC; CCN(CC)C(=NP(=O)OCC)C; CCN(
    CC)/C(=N/[P@H](=O)OCC)/C; CCO[P@@H](=O)N
    =C(C)N(CC)CC    		 ethyl (R)-N-[(1E)-1-(diethylamino)ethylidene]phosphonamidate
    27607
    L1N
    ZINC000100992764    		 2 C21 H15 N5 O3 S2 InChI=1S/C21H15N5O3S2/c27
    -21-15(19-16(25-21)8-9-17
    -20(19)30-12-24-17)11-23-
    13-4-6-14(7-5-13)31(28,29
    )26-18-3-1-2-10-22-18/h1-
    12,25,27H,(H,22,26)/b23-1
    1+;
    CDNIYBIKHDLGMT-FOKLQQMPSA-N    		 c1ccnc(c1)NS(=O)(=O)c2ccc(cc2)N=Cc3c4c(c
    cc5c4scn5)[nH]c3O; Oc1[nH]c2ccc3ncsc3c2c
    1C=Nc4ccc(cc4)[S](=O)(=O)Nc5ccccn5; c1cc
    nc(c1)NS(=O)(=O)c2ccc(cc2)/N=C/c3c4c(ccc
    5c4scn5)[nH]c3O    		 4-[(~{E})-(7-oxidanyl-6~{H}-pyrrolo[2,3-g][1,3]benzothiazol-8-yl)methylideneamino]-~{N}-pyridin-2-yl-benzenesulfonamide
    27608
    L1O
    CHEMBL401484
    ZINC000016052609    		 1 C9 H9 Cl2 N O3 InChI=1S/C9H9Cl2NO3/c10-6
    -3-5(9(13)14)4-7(11)8(6)1
    5-2-1-12/h3-4H,1-2,12H2,(
    H,13,14);
    BCUWXCINVFOVDJ-UHFFFAOYSA-N    		 c1c(cc(c(c1Cl)OCCN)Cl)C(=O)O; NCCOc1c(Cl
    )cc(cc1Cl)C(O)=O; Clc1cc(cc(Cl)c1OCCN)C(
    =O)O    		 4-(2-aminoethoxy)-3,5-dichlorobenzoic acid
    27609
    L1P
    DB03402
    ZINC000058638721    		 0 C43 H89 O6 P InChI=1S/C43H89O6P/c1-35(
    2)17-11-19-37(5)21-13-23-
    39(7)25-15-27-41(9)29-31-
    47-33-43(34-49-50(44,45)4
    6)48-32-30-42(10)28-16-26
    -40(8)24-14-22-38(6)20-12
    -18-36(3)4/h35-43H,11-34H
    2,1-10H3,(H2,44,45,46)/t3
    7-,38-,39-,40-,41-,42-,43
    +/m1/s1;
    UKQGAMWGTOTQPC-ALOLAALWSA-N    		 CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP(=O)(
    O)O)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C; O=P(O
    )(O)OCC(OCCC(CCCC(C)CCCC(C)CCCC(C)C)C)CO
    CCC(C)CCCC(C)CCCC(C)CCCC(C)C; CC(C)CCC[C
    H](C)CCC[CH](C)CCC[CH](C)CCOC[CH](CO[P](
    O)(O)=O)OCC[CH](C)CCC[CH](C)CCC[CH](C)CC
    CC(C)C; CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC
    [C@@H](C)CCOC[C@@H](COP(=O)(O)O)OCC[C@H]
    (C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C; CC(C)
    CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC
    [C@@H](CO[P](O)(O)=O)OCC[C@H](C)CCC[C@H]
    (C)CCC[C@H](C)CCCC(C)C    		 3-PHOSPHORYL-[1,2-DI-PHYTANYL]GLYCEROL;
    1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCERO-3-PHOSPHATE
    27610
    L1Q    		 2 C9 H9 F4 N O2 S InChI=1S/C9H9F4NO2S/c1-2-
    3-4-5(10)7(12)9(17(14,15)
    16)8(13)6(4)11/h2-3H2,1H3
    ,(H2,14,15,16);
    QCRSPYSAXKPYLP-UHFFFAOYSA-N    		 CCCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F; CCCc1
    c(F)c(F)c(c(F)c1F)[S](N)(=O)=O    		 2,3,5,6-tetrakis(fluoranyl)-4-propyl-benzenesulfonamide
    27611
    L1R
    CHEMBL398428
    DB08072
    ZINC000028966930    		 1 C18 H20 Cl2 N2 O3 InChI=1S/C18H20Cl2N2O3/c1
    -11(2)25-14-5-3-4-13(10-1
    4)22-18(23)12-8-15(19)17(
    16(20)9-12)24-7-6-21/h3-5
    ,8-11H,6-7,21H2,1-2H3,(H,
    22,23);
    AYKUIRSGEMLIFT-UHFFFAOYSA-N    		 CC(C)Oc1cccc(c1)NC(=O)c2cc(c(c(c2)Cl)OCC
    N)Cl; CC(C)Oc1cccc(NC(=O)c2cc(Cl)c(OCCN)
    c(Cl)c2)c1; Clc1cc(cc(Cl)c1OCCN)C(=O)Nc2
    cccc(OC(C)C)c2    		 4-(2-AMINOETHOXY)-3,5-DICHLORO-N-[3-(1-METHYLETHOXY)PHENYL]BENZAMIDE
    27612
    L1S    		 5 C25 H23 N7 O4 InChI=1S/C25H23N7O4/c1-36
    -24(35)17-13-27-25(28-14-
    17)32-11-9-31(10-12-32)23
    (34)16-7-5-15(6-8-16)22-2
    9-19-4-2-3-18(21(26)33)20
    (19)30-22/h2-8,13-14H,9-1
    2H2,1H3,(H2,26,33)(H,29,3
    0);
    ASPUHGRKEUIGTD-UHFFFAOYSA-N    		 O=C(c5c4nc(c3ccc(C(N2CCN(c1ncc(cn1)C(OC)
    =O)CC2)=O)cc3)nc4ccc5)N; COC(=O)c1cnc(nc
    1)N2CCN(CC2)C(=O)c3ccc(cc3)c4[nH]c5c(ccc
    c5n4)C(=O)N; COC(=O)c1cnc(nc1)N2CCN(CC2)
    C(=O)c3ccc(cc3)c4[nH]c5c(cccc5C(N)=O)n4    		 methyl 2-{4-[4-(7-carbamoyl-1H-benzimidazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}pyrimidine-5-carboxylate
    27613
    L1T    		 5 C12 H12 N2 S InChI=1S/C12H12N2S/c1-8-7
    -10(12(13)14)15-11(8)9-5-
    3-2-4-6-9/h2-7H,1H3,(H3,1
    3,14);
    ZXOKKHBVRCNRTH-UHFFFAOYSA-N    		 Cc1cc(sc1c2ccccc2)C(=N)N; Cc1cc(sc1c2ccc
    cc2)C(N)=N; [H]/N=C(\c1cc(c(s1)c2ccccc2)
    C)/N    		 4-methyl-5-phenyl-thiophene-2-carboximidamide
    27614
    L1U    		 4 C12 H15 As N6 O S2 InChI=1S/C12H15AsN6OS2/c1
    4-10-17-11(15)19-12(18-10
    )16-8-3-1-7(2-4-8)13-21-6
    -9(5-20)22-13/h1-4,9,20H,
    5-6H2,(H5,14,15,16,17,18,
    19)/t9-,13+/m1/s1;
    JCYZMTMYPZHVBF-RNCFNFMXSA-N    		 c1cc(ccc1Nc2nc(nc(n2)N)N)[As]3SC[C@H](S3
    )CO; Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](C
    O)S3)n1; c1cc(ccc1Nc2nc(nc(n2)N)N)[As]3S
    CC(S3)CO; Nc1nc(N)nc(Nc2ccc(cc2)[As@]3SC
    [C@@H](CO)S3)n1    		 [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol
    27615
    L1V    		 8 C15 H16 O5 InChI=1S/C15H16O5/c16-13(
    17)8-11-2-1-3-12(11)14(18
    )9-4-6-10(7-5-9)15(19)20/
    h4-7,11-12H,1-3,8H2,(H,16
    ,17)(H,19,20)/t11-,12+/m0
    /s1;
    AIBKYDBZFDNIIN-NWDGAFQWSA-N    		 c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(
    =O)O; OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2
    )C(O)=O; c1cc(ccc1C(=O)C2CCCC2CC(=O)O)C(
    =O)O; OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccc(
    cc2)C(O)=O; C1CC(C(CC(=O)O)C1)C(c2ccc(cc
    2)C(O)=O)=O    		 4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
    27616
    L1W    		 1 C39 H38 N6 O4 InChI=1S/C39H38N6O4/c1-2-
    35(47)40-29-14-17-32-34(2
    3-29)45(39(49)42-32)30-18
    -20-44(21-19-30)24-26-8-1
    2-28(13-9-26)36-37(27-6-4
    -3-5-7-27)43-38(48)33(41-
    36)22-25-10-15-31(46)16-1
    1-25/h3-17,23,30,46H,2,18
    -22,24H2,1H3,(H,40,47)(H,
    42,49)(H,43,48);
    LMPCSGMPKCSYTR-UHFFFAOYSA-N    		 CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)C
    c4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(cc6)O)
    c7ccccc7; CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC
    3)Cc4ccc(cc4)C5=C(NC(=O)C(=N5)Cc6ccc(O)c
    c6)c7ccccc7)c2c1    		 ~{N}-[3-[1-[[4-[5-[(4-hydroxyphenyl)methyl]-6-oxidanylidene-2-phenyl-1~{H}-pyrazin-3-yl]phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
    27617
    L1X
    CHEMBL3545307
    DB12381
    ZINC000095926668    		 2 C30 H22 F2 N6 O3 InChI=1S/C30H22F2N6O3/c1-
    17-3-9-23(30(40)38(17)22-
    7-4-20(31)5-8-22)29(39)36
    -21-6-10-27(25(32)12-21)4
    1-28-11-18-16-35-37(2)26(
    18)13-24(28)19-14-33-34-1
    5-19/h3-16H,1-2H3,(H,33,3
    4)(H,36,39);
    QHADVLVFMKEIIP-UHFFFAOYSA-N    		 CC1=CC=C(C(=O)N1c2ccc(cc2)F)C(=O)Nc3ccc(
    c(c3)F)Oc4cc5cnn(c5cc4c6c[nH]nc6)C; Cn1n
    cc2cc(Oc3ccc(NC(=O)C4=CC=C(C)N(C4=O)c5cc
    c(F)cc5)cc3F)c(cc12)c6c[nH]nc6; Fc1ccc(c
    c1)N2C(=CC=C(C2=O)C(=O)Nc6ccc(Oc3cc5c(cc
    3c4cnnc4)n(nc5)C)c(F)c6)C    		 N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
    27618
    L1Y    		 8 C15 H16 O5 InChI=1S/C15H16O5/c16-13(
    17)8-11-2-1-3-12(11)14(18
    )9-4-6-10(7-5-9)15(19)20/
    h4-7,11-12H,1-3,8H2,(H,16
    ,17)(H,19,20)/t11-,12+/m1
    /s1;
    AIBKYDBZFDNIIN-NEPJUHHUSA-N    		 OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2)C(O)=
    O; c1cc(ccc1C(=O)[C@H]2CCC[C@@H]2CC(=O)O
    )C(=O)O; OC(=O)C[C@H]1CCC[C@@H]1C(=O)c2c
    cc(cc2)C(O)=O; c1cc(ccc1C(=O)C2CCCC2CC(=
    O)O)C(=O)O; C1(C(CCC1)CC(=O)O)C(c2ccc(cc
    2)C(O)=O)=O    		 4-[(1S,2R)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
    27619
    L1Z    		 1 C33 H34 N6 O3 InChI=1S/C33H34N6O3/c1-3-
    29(40)35-25-13-14-27-28(1
    9-25)39(33(42)36-27)26-15
    -17-38(18-16-26)20-22-9-1
    1-24(12-10-22)31-30(23-7-
    5-4-6-8-23)34-21(2)32(41)
    37-31/h4-14,19,26H,3,15-1
    8,20H2,1-2H3,(H,35,40)(H,
    36,42)(H,37,41);
    HCHZPUXPCDNSSQ-UHFFFAOYSA-N    		 CCC(=O)Nc1ccc2NC(=O)N(C3CCN(CC3)Cc4ccc(c
    c4)C5=C(N=C(C)C(=O)N5)c6ccccc6)c2c1; CCC
    (=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4c
    cc(cc4)C5=C(N=C(C(=O)N5)C)c6ccccc6    		 ~{N}-[3-[1-[[4-(5-methyl-6-oxidanylidene-3-phenyl-1~{H}-pyrazin-2-yl)phenyl]methyl]piperidin-4-yl]-2-oxidanylidene-1~{H}-benzimidazol-5-yl]propanamide
    27620
    L20
    CHEMBL379300
    DB08073
    ZINC000016052239    		 5 C24 H23 N5 O InChI=1S/C24H23N5O/c1-15-
    22-10-16(6-7-24(22)29-28-
    15)17-9-20(13-26-11-17)30
    -14-19(25)8-18-12-27-23-5
    -3-2-4-21(18)23/h2-7,9-13
    ,19,27H,8,14,25H2,1H3,(H,
    28,29)/t19-/m0/s1;
    YWTBGJGMTBHQTM-IBGZPJMESA-N    		 Cc1n[nH]c2ccc(cc12)c3cncc(OC[CH](N)Cc4c[
    nH]c5ccccc45)c3; Cc1c2cc(ccc2[nH]n1)c3cc
    (cnc3)OC[C@H](Cc4c[nH]c5c4cccc5)N; Cc1n[
    nH]c2ccc(cc12)c3cncc(OC[C@@H](N)Cc4c[nH]
    c5ccccc45)c3; Cc1c2cc(ccc2[nH]n1)c3cc(cn
    c3)OCC(Cc4c[nH]c5c4cccc5)N; n2c(c1cc(ccc
    1n2)c5cc(OCC(N)Cc4c3ccccc3nc4)cnc5)C    		 (2S)-1-(1H-INDOL-3-YL)-3-{[5-(3-METHYL-1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}PROPAN-2-AMINE
    27621
    L21
    DB08074
    ZINC000000002209    		 1 C10 H13 N5 InChI=1S/C10H13N5/c1-7(2)
    3-4-15-6-14-9(11)8-10(15)
    13-5-12-8/h3,5-6H,4,11H2,
    1-2H3;
    BEPGTHDUUROBHM-UHFFFAOYSA-N    		 CC(=CCn1cnc(c-2ncnc12)N)C; CC(C)=CCn1cnc
    (N)c2ncnc12; N=1C2=C(N=CN(C2=NC=1)C\C=C(
    /C)C)N    		 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine
    27622
    L22
    DB08075
    ZINC000034099696    		 2 C7 H7 N5 S InChI=1S/C7H7N5S/c8-6-10-
    2-1-4(11-6)5-3-13-7(9)12-
    5/h1-3H,(H2,9,12)(H2,8,10
    ,11);
    FHERIFNAOMUFRM-UHFFFAOYSA-N    		 n1c(nccc1c2nc(sc2)N)N; c1cnc(nc1c2csc(n2
    )N)N; Nc1scc(n1)c2ccnc(N)n2    		 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine
    27623
    L23
    CHEMBL1233922
    DB08076
    ZINC000002557486    		 2 C15 H13 Cl2 N5 InChI=1S/C15H13Cl2N5/c1-9
    -20-14(13-5-6-19-15(18)21
    -13)8-22(9)7-10-11(16)3-2
    -4-12(10)17/h2-6,8H,7H2,1
    H3,(H2,18,19,21);
    CKSSZTMRRVJNNG-UHFFFAOYSA-N    		 Clc1c(c(Cl)ccc1)Cn2cc(nc2C)c3nc(ncc3)N;
    Cc1nc(cn1Cc2c(Cl)cccc2Cl)c3ccnc(N)n3; Cc
    1nc(cn1Cc2c(cccc2Cl)Cl)c3ccnc(n3)N    		 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine
    27624
    L24
    DB04322
    ZINC000001637602    		 1 C21 H25 N5 O6 InChI=1S/C21H25N5O6/c22-2
    1-25-17-14(19(30)26-21)9-
    12(10-23-17)2-1-11-3-5-13
    (6-4-11)18(29)24-15(20(31
    )32)7-8-16(27)28/h3-6,12,
    15H,1-2,7-10H2,(H,24,29)(
    H,27,28)(H,31,32)(H4,22,2
    3,25,26,30)/t12-,15-/m0/s
    1;
    ZUQBAQVRAURMCL-WFASDCNBSA-N    		 c1cc(ccc1CCC2Cc3c(nc(nc3O)N)NC2)C(=O)NC(
    CCC(=O)O)C(=O)O; O=C(O)C(NC(=O)c1ccc(cc1
    )CCC3Cc2c(nc(nc2NC3)N)O)CCC(=O)O; Nc1nc(
    O)c2C[CH](CCc3ccc(cc3)C(=O)N[CH](CCC(O)=
    O)C(O)=O)CNc2n1; Nc1nc(O)c2C[C@H](CCc3cc
    c(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CNc2n
    1; c1cc(ccc1CC[C@H]2Cc3c(nc(nc3O)N)NC2)C
    (=O)N[C@@H](CCC(=O)O)C(=O)O    		 [[[2-AMINO-5,6,7,8-TETRAHYDRO-4-HYDROXY-PYRIDO[2,3-D]PYRIMIDIN-6-YL]-ETHYL]-PHENYL]-CARBONYL-GLUTAMIC ACID;
    LY249543
    27625
    L25
    CHEMBL4762147    		 1 C22 H27 N3 O6 S InChI=1S/C22H27N3O6S/c1-1
    4-20-16(5-3-4-6-18(20)26)
    21(23-14)22(27)24-17-13-1
    5(7-8-19(17)30-2)32(28,29
    )25-9-11-31-12-10-25/h7-8
    ,13,23H,3-6,9-12H2,1-2H3,
    (H,24,27);
    DDHSJBNVVYBOFE-UHFFFAOYSA-N    		 Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=
    O)N4CCOCC4)CCCCC2=O; COc1ccc(cc1NC(=O)c2
    [nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCOC
    C4    		 ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    27626
    L26
    CHEMBL3786260
    ZINC000076516618    		 1 C18 H21 N3 O4 InChI=1S/C18H21N3O4/c1-4-
    14-16(11(3)22)10(2)20-17(
    14)18(24)21-12-6-5-7-13(8
    -12)25-9-15(19)23/h5-8,20
    H,4,9H2,1-3H3,(H2,19,23)(
    H,21,24);
    CSXFLOZZMPSMKL-UHFFFAOYSA-N    		 CCc1c(c([nH]c1C(=O)Nc2cccc(c2)OCC(=O)N)C
    )C(=O)C; CCc1c([nH]c(C)c1C(C)=O)C(=O)Nc2
    cccc(OCC(N)=O)c2; c1(cc(ccc1)NC(c2c(c(C(
    C)=O)c(C)n2)CC)=O)OCC(N)=O    		 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
    27627
    L27
    ZINC000100361354    		 2 C35 H37 N3 O6 InChI=1S/C35H37N3O6/c39-3
    1(30(17-23-9-3-1-4-10-23)
    38-34(42)44-25-15-16-43-2
    2-25)19-35(18-24-11-5-2-6
    -12-24)32(40)29(21-37-35)
    28-20-36-33(41)27-14-8-7-
    13-26(27)28/h1-14,21,25,2
    8,30-31,37,39H,15-20,22H2
    ,(H,36,41)(H,38,42)/t25-,
    28+,30-,31-,35-/m0/s1;
    BFWPVLSACSESSM-VHGZSVTHSA-N    		 O[C@@H](C[C@]1(Cc2ccccc2)NC=C([C@@H]3CNC
    (=O)c4ccccc34)C1=O)[C@H](Cc5ccccc5)NC(=O
    )O[C@H]6CCOC6; c1ccc(cc1)C[C@@H]([C@H](C
    [C@]2(C(=O)C(=CN2)[C@@H]3CNC(=O)c4c3cccc
    4)Cc5ccccc5)O)NC(=O)O[C@H]6CCOC6; c1ccc(
    cc1)CC(C(CC2(C(=O)C(=CN2)C3CNC(=O)c4c3cc
    cc4)Cc5ccccc5)O)NC(=O)OC6CCOC6; O[CH](C[
    C]1(Cc2ccccc2)NC=C([CH]3CNC(=O)c4ccccc34
    )C1=O)[CH](Cc5ccccc5)NC(=O)O[CH]6CCOC6;
    O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CC3(C(=O)C
    (=CN3)C5c4ccccc4C(=O)NC5)Cc6ccccc6    		 {1-BENZYL-3-[2-BENZYL-3-OXO-4-(1-OXO-1,2,3,4-TETRAHYDRO- ISOQUINOLIN-4-YL)-2,3-DIHYDRO-1H-PYRROL-2-YL]-2- HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER;
    LDC271 INHIBITOR
    27628
    L28
    CHEMBL3785713
    ZINC000263620293    		 1 C19 H26 N4 O5 S InChI=1S/C19H26N4O5S/c1-5
    -13-16(18(20)25)11(4)21-1
    7(13)19(26)22-14-10-12(8-
    9-15(14)24)29(27,28)23(6-
    2)7-3/h8-10,21,24H,5-7H2,
    1-4H3,(H2,20,25)(H,22,26);
    BXFSSYQFFSWQEA-UHFFFAOYSA-N    		 CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]
    c(C)c(C(N)=O)c2CC)c1; CCc1c(c([nH]c1C(=O
    )Nc2cc(ccc2O)S(=O)(=O)N(CC)CC)C)C(=O)N;
    c1cc(cc(c1O)NC(c2c(c(C(N)=O)c(C)n2)CC)=O
    )S(N(CC)CC)(=O)=O    		 N~2~-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-5-methyl-1H-pyrrole-2,4-dicarboxamide
    27629
    L29
    CHEMBL3891386
    ZINC000150344349    		 8 C46 H52 N6 O10 S2 InChI=1S/C46H52N6O10S2/c1
    -31(2)41(45(55)49-57)51(6
    3(59,60)39-22-18-35(19-23
    -39)33-12-7-5-8-13-33)28-
    26-47-43(53)37-16-11-17-3
    8(30-37)44(54)48-27-29-52
    (42(32(3)4)46(56)50-58)64
    (61,62)40-24-20-36(21-25-
    40)34-14-9-6-10-15-34/h5-
    25,30-32,41-42,57-58H,26-
    29H2,1-4H3,(H,47,53)(H,48
    ,54)(H,49,55)(H,50,56)/t4
    1-,42-/m1/s1;
    JPMXJRBHCOULJI-NCRNUEESSA-N    		 O=S(=O)(N(C(C(=O)NO)C(C)C)CCNC(=O)c3cccc
    (C(=O)NCCN(C(C(=O)NO)C(C)C)S(=O)(=O)c2cc
    c(c1ccccc1)cc2)c3)c5ccc(c4ccccc4)cc5; CC
    (C)[CH](N(CCNC(=O)c1cccc(c1)C(=O)NCCN([C
    H](C(C)C)C(=O)NO)[S](=O)(=O)c2ccc(cc2)c3
    ccccc3)[S](=O)(=O)c4ccc(cc4)c5ccccc5)C(=
    O)NO; CC(C)C(C(=O)NO)N(CCNC(=O)c1cccc(c1
    )C(=O)NCCN(C(C(C)C)C(=O)NO)S(=O)(=O)c2cc
    c(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)c5cccc
    c5; CC(C)[C@H](C(=O)NO)N(CCNC(=O)c1cccc(
    c1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)S(=O)(=
    O)c2ccc(cc2)c3ccccc3)S(=O)(=O)c4ccc(cc4)
    c5ccccc5; CC(C)[C@@H](N(CCNC(=O)c1cccc(c
    1)C(=O)NCCN([C@H](C(C)C)C(=O)NO)[S](=O)(
    =O)c2ccc(cc2)c3ccccc3)[S](=O)(=O)c4ccc(c
    c4)c5ccccc5)C(=O)NO    		 N,N'-bis(2-{(biphenyl-4-ylsulfonyl)[(2R)-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]amino}ethyl)benzene-1,3-dicarboxamide (non-preferred name)
    27630
    L2A
    ZINC000058638722    		 0 C30 H51 N5 O8 InChI=1S/C30H51N5O8/c1-18
    (2)15-20-24(38)33-21(16-1
    9(3)4)26(40)35-30(6,28(42
    )43)14-12-10-8-7-9-11-13-
    29(5,31)27(41)34-22(17-23
    (36)37)25(39)32-20/h7-8,1
    8-22H,9-17,31H2,1-6H3,(H,
    32,39)(H,33,38)(H,34,41)(
    H,35,40)(H,36,37)(H,42,43
    )/b8-7+/t20-,21-,22-,29-,
    30-/m0/s1;
    LHANMAUMFDZWEI-WDKISMIESA-N    		 O=C(O)C1(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C
    (N)(C)CCCC=CCCC1)CC(=O)O)CC(C)C)CC(C)C)C
    ; CC(C)C[CH]1NC(=O)[CH](CC(O)=O)NC(=O)[C
    ](C)(N)CCCC=CCCC[C](C)(NC(=O)[CH](CC(C)C
    )NC1=O)C(O)=O; CC(C)CC1C(=O)NC(CCCC=CCCC
    C(C(=O)NC(C(=O)NC(C(=O)N1)CC(C)C)CC(=O)O
    )(C)N)(C)C(=O)O; CC(C)C[C@@H]1NC(=O)[C@H
    ](CC(O)=O)NC(=O)[C@@](C)(N)CCC\C=C\CCC[C
    @](C)(NC(=O)[C@H](CC(C)C)NC1=O)C(O)=O; C
    C(C)C[C@H]1C(=O)N[C@](CCC\C=C\CCC[C@](C(
    =O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CC(
    =O)O)(C)N)(C)C(=O)O    		 (2S,5S,8S,11S,15E,20S)-20-amino-2-(carboxymethyl)-11,20-dimethyl-5,8-bis(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetraazacyclohenicos-15-ene-11-carboxylic acid
    27631
    L2B    		 2 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-6
    -3-5(4-18-20(15,16)17)19-
    8(6)11-2-1-7(13)10-9(11)1
    4/h1-2,5-6,8,12H,3-4H2,(H
    ,10,13,14)(H2,15,16,17)/t
    5-,6+,8+/m0/s1;
    SEOHEWZQAGEAGZ-SHYZEUOFSA-N    		 C1C(OC(C1O)N2C=CC(=O)NC2=O)COP(=O)(O)O;
    O[C@@H]1C[C@@H](CO[P](O)(O)=O)O[C@H]1N2C
    =CC(=O)NC2=O; C1[C@H](O[C@H]([C@@H]1O)N2
    C=CC(=O)NC2=O)COP(=O)(O)O; O[CH]1C[CH](C
    O[P](O)(O)=O)O[CH]1N2C=CC(=O)NC2=O    		 3'-DEOXYURIDINE-5'-MONOPHOSPHATE;
    [(2~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    27632
    L2C
    ZINC000058638724    		 0 C24 H46 O5 InChI=1S/C24H46O5/c1-3-5-
    7-9-11-12-13-15-16-18-23(
    26)28-21-22(20-25)29-24(2
    7)19-17-14-10-8-6-4-2/h22
    ,25H,3-21H2,1-2H3/t22-/m0
    /s1;
    MYFVXYUACRBWGD-QFIPXVFZSA-N    		 CCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCCCC
    ; CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCC;
    O=C(OC(COC(=O)CCCCCCCCCCC)CO)CCCCCCCC;
    CCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCC
    C    		 (2S)-3-HYDROXY-2-(NONANOYLOXY)PROPYL LAURATE
    27633
    L2D    		 2 C22 H26 Fe N4 O4 InChI=1S/C22H28N4O4.Fe/c2
    7-21(28)15-25(13-17-7-3-5
    -11-23-17)19-9-1-2-10-20(
    19)26(16-22(29)30)14-18-8
    -4-6-12-24-18;/h3-8,11-12
    ,19-20H,1-2,9-10,13-16H2,
    (H,27,28)(H,29,30);/q;+2/
    p-2/t19-,20-;/m1./s1;
    RHFVCFXUQWXGET-GZJHNZOKSA-L    		 C1CC[C@@H]2[C@@H](C1)[N]34CC5=[N]([Fe]36
    7([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4
    )C=CC=C5; C1CCC2C(C1)[N]34CC5=[N]([Fe]36
    7([N]2(CC8=CC=CC=[N]68)CC(=O)O7)OC(=O)C4
    )C=CC=C5; O=C1CN|23Cc4ccccn4|[Fe]|5|6|2(
    O1)OC(=O)CN|5(Cc7ccccn|67)[C@@H]8CCCC[C@
    @H]38; O=C6O[Fe]2587OC(=O)CN8(Cc1n2cccc1
    )C3CCCCC3N7(Cc4ccccn45)C6; O=C1CN|23Cc4c
    cccn4|[Fe]|5|6|2(O1)OC(=O)CN|5(Cc7ccccn|
    67)[CH]8CCCC[CH]38    		 {2,2'-[(1R,2R)-cyclohexane-1,2-diylbis{[(pyridin-2-yl-kappaN)methyl]imino-kappaN}]diacetato-kappaO(2-)}iron;
    Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine
    27634
    L2E
    CHEMBL223256    		 0 C25 H28 O6 InChI=1S/C25H28O6/c1-14(2
    )5-4-6-15(3)7-9-17-19(27)
    12-23-24(25(17)30)21(29)1
    3-22(31-23)16-8-10-18(26)
    20(28)11-16/h5,7-8,10-12,
    22,26-28,30H,4,6,9,13H2,1
    -3H3/b15-7+/t22-/m0/s1;
    XCYSQFHYFNWYFP-CEMXSPGASA-N    		 CC(C)=CCCC(C)=CCc1c(O)cc2O[CH](CC(=O)c2c
    1O)c3ccc(O)c(O)c3; CC(=CCCC(=CCc1c(cc2c(
    c1O)C(=O)CC(O2)c3ccc(c(c3)O)O)O)C)C; CC(
    =CCC/C(=C/Cc1c(cc2c(c1O)C(=O)C[C@H](O2)c
    3ccc(c(c3)O)O)O)/C)C; CC(C)=CCC\C(C)=C\C
    c1c(O)cc2O[C@@H](CC(=O)c2c1O)c3ccc(O)c(O
    )c3; O=C2c3c(O)c(c(O)cc3OC(c1ccc(O)c(O)c
    1)C2)C\C=C(/C)CC\C=C(/C)C    		 (2S)-2-(3,4-dihydroxyphenyl)-6-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5,7-dihydroxy-2,3-dihydro-4H-chromen-4-one
    27635
    L2F    		 4 C27 H31 N3 O4 S InChI=1S/C27H31N3O4S/c1-3
    -18(2)26(30-35(33,34)25-1
    4-8-10-19-9-4-5-12-23(19)
    25)27(32)29-21(17-31)15-2
    0-16-28-24-13-7-6-11-22(2
    0)24/h4-14,16,18,21,26,28
    ,30-31H,3,15,17H2,1-2H3,(
    H,29,32)/t18-,21-,26-/m0/
    s1;
    WGQRDHFZEVLIFE-JCWFFFCVSA-N    		 CC[CH](C)[CH](N[S](=O)(=O)c1cccc2ccccc12
    )C(=O)N[CH](CO)Cc3c[nH]c4ccccc34; CC[C@H
    ](C)[C@@H](C(=O)N[C@@H](Cc1c[nH]c2c1cccc
    2)CO)NS(=O)(=O)c3cccc4c3cccc4; CC[C@H](C
    )[C@H](N[S](=O)(=O)c1cccc2ccccc12)C(=O)N
    [C@H](CO)Cc3c[nH]c4ccccc34; CCC(C)C(C(=O
    )NC(Cc1c[nH]c2c1cccc2)CO)NS(=O)(=O)c3ccc
    c4c3cccc4    		 N-(1-naphthylsulfonyl)-(L)-isoleucyl-(L)-tryptophanol;
    (2~{S},3~{S})-~{N}-[(2~{S})-1-(1~{H}-indol-3-yl)-3-oxidanyl-propan-2-yl]-3-methyl-2-(naphthalen-1-ylsulfonylamino)pentanamide
    27636
    L2G
    CHEMBL197603    		 2 C34 H39 N9 O3 InChI=1S/C34H39N9O3/c1-21
    (44)41-14-16-42(17-15-41)
    24-9-11-25(12-10-24)43-33
    -30(32(35)36-20-37-33)31(
    39-43)23-8-13-26(29(19-23
    )46-3)38-34(45)28-18-22-6
    -4-5-7-27(22)40(28)2/h4-8
    ,13,18-20,24-25H,9-12,14-
    17H2,1-3H3,(H,38,45)(H2,3
    5,36,37)/t24-,25-;
    ZMNWFTYYYCSSTF-SOAUALDESA-N    		 COc1cc(ccc1NC(=O)c2cc3ccccc3n2C)c4nn([CH
    ]5CC[CH](CC5)N6CCN(CC6)C(C)=O)c7ncnc(N)c
    47; O=C(c2cc1ccccc1n2C)Nc3ccc(cc3OC)c5nn
    (c4ncnc(N)c45)C7CCC(N6CCN(C(=O)C)CC6)CC7
    ; CC(=O)N1CCN(CC1)C2CCC(CC2)n3c4c(c(n3)c
    5ccc(c(c5)OC)NC(=O)c6cc7ccccc7n6C)c(ncn4
    )N; COc1cc(ccc1NC(=O)c2cc3ccccc3n2C)c4nn
    ([C@H]5CC[C@@H](CC5)N6CCN(CC6)C(C)=O)c7n
    cnc(N)c47    		 N-(4-{1-[4-(4-ACETYLPIPERAZIN-1-YL)-TRANS-CYCLOHEXYL]-4-AMINO-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE
    27637
    L2H
    ZINC000098209094    		 0 C32 H34 N10 O8 InChI=1S/C32H34N10O8/c1-1
    5-23-31-38-20(12-48-31)26
    (44)35-17(7-3-5-9-33)27-3
    9-22(13-46-27)29-40-21(14
    -47-29)28-37-19(11-45-28)
    25(43)36-18(8-4-6-10-34)3
    0-41-24(16(2)49-30)32(42-
    23)50-15/h11-14,17-18H,3-
    10,33-34H2,1-2H3,(H,35,44
    )(H,36,43)/t17-,18-/m0/s1;
    VFOYOVBIUSPROZ-ROUUACIJSA-N    		 Cc1oc2nc1c3oc(C)c(n3)c4occ(n4)C(=O)N[CH]
    (CCCCN)c5occ(n5)c6occ(n6)c7occ(n7)C(=O)N
    [CH]2CCCCN; Cc1oc2nc1c3oc(C)c(n3)c4occ(n
    4)C(=O)N[C@@H](CCCCN)c5occ(n5)c6occ(n6)c
    7occ(n7)C(=O)N[C@H]2CCCCN; Cc1c-2nc(o1)-
    c3c(oc(n3)[C@@H](NC(=O)c4coc(n4)-c5coc(n
    5)-c6coc(n6)[C@@H](NC(=O)c7coc2n7)CCCCN)
    CCCCN)C; Cc1c-2nc(o1)-c3c(oc(n3)C(NC(=O)
    c4coc(n4)-c5coc(n5)-c6coc(n6)C(NC(=O)c7c
    oc2n7)CCCCN)CCCCN)C; O=C5NC(c1nc(c(o1)C)
    c2oc(c(n2)c3occ(n3)C(=O)NC(c7nc(c4nc(co4
    )c6nc5co6)co7)CCCCN)C)CCCCN    		 (12S,27S)-12,27-bis(4-aminobutyl)-4,30-dimethyl-3,7,14,18,22,29-hexaoxa-11,26,31,32,33,34,35,36-octaazaheptacyclo[26.2. 1.1~2,5~.1~6,9~.1~13,16~.1~17,20~.1~21,24~]hexatriaconta-1(30),2(36),4,6(35),8,13(34),15,17(33),19,21(32),23,28(31)-dode caene-10,25-dione;
    Telomestatin derivative
    27638
    L2I    		 1 C16 H19 N3 O InChI=1S/C16H19N3O/c1-17-
    11-9-15(13-6-3-2-4-7-13)1
    6(20)19-14-8-5-10-18-12-1
    4/h2-8,10,12,15,17H,9,11H
    2,1H3,(H,19,20)/t15-/m0/s
    1;
    AMGHFKIRDXLNJU-HNNXBMFYSA-N    		 CNCC[CH](C(=O)Nc1cccnc1)c2ccccc2; O=C(Nc
    1cccnc1)C(CCNC)c1ccccc1; CNCC[C@@H](c1cc
    ccc1)C(=O)Nc2cccnc2; CNCCC(c1ccccc1)C(=O
    )Nc2cccnc2; CNCC[C@H](C(=O)Nc1cccnc1)c2c
    cccc2    		 (2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide
    27639
    L2J
    CHEMBL4450419    		 2 C25 H23 F3 N2 O5 S InChI=1S/C25H23F3N2O5S/c2
    6-25(27,28)35-16-12-14-17
    (15-13-16)36(32,33)29-18-
    6-5-9-21(24(18)31)30-19-7
    -1-3-10-22(19)34-23-11-4-
    2-8-20(23)30/h1-4,7-8,10-
    15,18,21,24,29,31H,5-6,9H
    2/t18-,21+,24+/m1/s1;
    WGKGADVPRVLHHZ-ZHRMCQFGSA-N    		 c1ccc2c(c1)N(c3ccccc3O2)C4CCCC(C4O)NS(=O
    )(=O)c5ccc(cc5)OC(F)(F)F; O[CH]1[CH](CCC
    [CH]1N2c3ccccc3Oc4ccccc24)N[S](=O)(=O)c5
    ccc(OC(F)(F)F)cc5; c1ccc2c(c1)N(c3ccccc3
    O2)[C@H]4CCC[C@H]([C@@H]4O)NS(=O)(=O)c5c
    cc(cc5)OC(F)(F)F; O[C@H]1[C@@H](CCC[C@@H
    ]1N2c3ccccc3Oc4ccccc24)N[S](=O)(=O)c5ccc
    (OC(F)(F)F)cc5; c3cc2N(c1ccccc1Oc2cc3)C4
    CCCC(C4O)NS(c5ccc(cc5)OC(F)(F)F)(=O)=O    		 N-[(1R,2R,3S)-2-hydroxy-3-(10H-phenoxazin-10-yl)cyclohexyl]-4-(trifluoromethoxy)benzene-1-sulfonamide
    27640
    L2K
    ZINC000000092395    		 3 C11 H10 F2 N4 InChI=1S/C11H10F2N4/c12-8
    -2-1-7(5-9(8)13)10-6-17-4
    -3-14-11(17)16-15-10/h1-2
    ,5H,3-4,6H2,(H,14,16);
    HQCSFWFWWSDEFP-UHFFFAOYSA-N    		 Fc1ccc(cc1F)C2=NNC3=NCCN3C2; c1cc(c(cc1C
    2=NNC3=NCCN3C2)F)F    		 3-[3,4-bis(fluoranyl)phenyl]-1,4,6,7-tetrahydroimidazo[2,1-c][1,2,4]triazine
    27641
    L2L
    CHEMBL1741886
    ZINC000008034708    		 30 C H5 N O3 S InChI=1S/CH5NO3S/c2-1-6(3
    ,4)5/h1-2H2,(H,3,4,5);
    OBESRABRARNZJB-UHFFFAOYSA-N    		 C(N)S(=O)(=O)O; NCS(=O)(=O)O; NC[S](O)(=
    O)=O    		 aminomethanesulfonic acid
    27642
    L2M    		 2 C21 H27 Fe N4 O2 InChI=1S/C21H28N4O2.Fe/c1
    -24(14-17-8-4-6-12-22-17)
    19-10-2-3-11-20(19)25(16-
    21(26)27)15-18-9-5-7-13-2
    3-18;/h4-9,12-13,19-20H,2
    -3,10-11,14-16H2,1H3,(H,2
    6,27);/q;+3/p-1/t19-,20-;
    /m0./s1;
    QCJUYONJTMUVGL-FKLPMGAJSA-M    		 C[N]12CC3=CC=CC=[N]3[Fe+2]145[N]6=CC=CC=
    C6C[N]4(CC(=O)O5)C7C2CCCC7; CN12|[Fe++]|
    3|4(OC(=O)CN|3(Cc5ccccn|45)[CH]6CCCC[CH]
    16)|n7ccccc7C2; C[N@]12CC3=CC=CC=[N]3[Fe
    +2]145[N]6=CC=CC=C6C[N@@]4(CC(=O)O5)[C@@
    H]7[C@@H]2CCCC7; CN12|[Fe++]|3|4(OC(=O)C
    N|3(Cc5ccccn|45)[C@H]6CCCC[C@H]16)|n7ccc
    cc7C2; O=C2O[Fe+2]576n1ccccc1CN7(C2)C3CC
    CCC3N6(C)Cc4ccccn45    		 {(R)-N-[(1S,2S)-2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}cyclohexyl]-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+)
    27643
    L2N
    CHEMBL4762202    		 1 C23 H30 N4 O5 S InChI=1S/C23H30N4O5S/c1-1
    5-21-17(6-4-5-7-19(21)28)
    22(24-15)23(29)25-18-14-1
    6(8-9-20(18)32-3)33(30,31
    )27-12-10-26(2)11-13-27/h
    8-9,14,24H,4-7,10-13H2,1-
    3H3,(H,25,29);
    AFNYOROEWXANDC-UHFFFAOYSA-N    		 Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=
    O)N4CCN(CC4)C)CCCCC2=O; COc1ccc(cc1NC(=O
    )c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4C
    CN(C)CC4    		 ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    27644
    L2O
    ZINC000005760037    		 0 C7 H15 N O3 InChI=1S/C7H15NO3/c1-4(2)
    3-5(8)6(9)7(10)11/h4-6,9H
    ,3,8H2,1-2H3,(H,10,11)/t5
    -,6+/m1/s1;
    GZLMFCWSEKVVGO-RITPCOANSA-N    		 O=C(O)C(O)C(N)CC(C)C; CC(C)C[C@@H](N)[C@
    H](O)C(O)=O; CC(C)CC(C(C(=O)O)O)N; CC(C)
    C[C@H]([C@@H](C(=O)O)O)N; CC(C)C[CH](N)[
    CH](O)C(O)=O    		 (2S,3R)-3-amino-2-hydroxy-5-methylhexanoic acid
    27645
    L2P
    DB03646
    ZINC000058638725    		 0 C43 H88 O3 InChI=1S/C43H88O3/c1-35(2
    )17-11-19-37(5)21-13-23-3
    9(7)25-15-27-41(9)29-31-4
    5-34-43(33-44)46-32-30-42
    (10)28-16-26-40(8)24-14-2
    2-38(6)20-12-18-36(3)4/h3
    5-44H,11-34H2,1-10H3/t37-
    ,38-,39-,40-,41-,42-,43-/
    m1/s1;
    ISDBCJSGCHUHFI-UMZPFTBHSA-N    		 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C
    )CCOC[C@@H](CO)OCC[C@H](C)CCC[C@H](C)CCC
    [C@H](C)CCCC(C)C; CC(C)CCCC(C)CCCC(C)CCC
    C(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(C
    )C; CC(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)C
    COC[CH](CO)OCC[CH](C)CCC[CH](C)CCC[CH](C
    )CCCC(C)C; OCC(OCCC(CCCC(CCCC(C)CCCC(C)C
    )C)C)COCCC(C)CCCC(C)CCCC(C)CCCC(C)C    		 2,3-DI-PHYTANYL-GLYCEROL;
    1,2-DI-1-(3,7,11,15-TETRAMETHYL-HEXADECANE)-SN-GLYCEROL
    27646
    L2Q
    CHEMBL4588417    		 1 C40 H54 N2 O8 InChI=1S/C40H54N2O8/c1-46
    -37-18-14-28(26-38(37)47-
    2)13-17-36(29-8-7-9-30(27
    -29)49-25-22-41-20-23-48-
    24-21-41)50-40(45)34-12-5
    -6-19-42(34)39(44)33-15-1
    6-35(43)32-11-4-3-10-31(3
    2)33/h7-9,14,18,26-27,31-
    34,36H,3-6,10-13,15-17,19
    -25H2,1-2H3/t31-,32-,33-,
    34+,36-/m1/s1;
    UGIVXHVIZXJHDG-YGYPXORBSA-N    		 COc1ccc(cc1OC)CC[C@H](c2cccc(c2)OCCN3CCO
    CC3)OC(=O)[C@@H]4CCCCN4C(=O)[C@@H]5CCC(=
    O)[C@H]6[C@H]5CCCC6; COc1ccc(cc1OC)CCC(c
    2cccc(c2)OCCN3CCOCC3)OC(=O)C4CCCCN4C(=O)
    C5CCC(=O)C6C5CCCC6; COc1ccc(CC[C@@H](OC(
    =O)[C@@H]2CCCCN2C(=O)[C@@H]3CCC(=O)[C@@H
    ]4CCCC[C@@H]34)c5cccc(OCCN6CCOCC6)c5)cc1
    OC; COc1ccc(CC[CH](OC(=O)[CH]2CCCCN2C(=O
    )[CH]3CCC(=O)[CH]4CCCC[CH]34)c5cccc(OCCN
    6CCOCC6)c5)cc1OC    		 [(1~{R})-3-(3,4-dimethoxyphenyl)-1-[3-(2-morpholin-4-ylethoxy)phenyl]propyl] (2~{S})-1-[[(1~{R},4~{a}~{R},8~{a}~{R})-4-oxidanylidene-2,3,4~{a},5,6,7,8,8~{a}-octahydro-1~{H}-naphthalen-1-yl]carbonyl]piperidine-2-carboxylate
    27647
    L2R
    CHEMBL5272558    		 1 C21 H24 N8 O2 S InChI=1S/C21H24N8O2S/c30-
    20(31)18(28(11-16-9-22-13
    -24-16)12-17-10-23-14-25-
    17)7-4-8-29-19(26-27-21(2
    9)32)15-5-2-1-3-6-15/h1-3
    ,5-6,9-10,13-14,18H,4,7-8
    ,11-12H2,(H,22,24)(H,23,2
    5)(H,27,32)(H,30,31)/t18-
    /m0/s1;
    YWCRDRKNQRFREX-SFHVURJKSA-N    		 c1ccc(cc1)C2=NNC(=S)N2CCCC(C(=O)O)N(Cc3c
    [nH]cn3)Cc4c[nH]cn4; OC(=O)[CH](CCCN1C(=
    S)NN=C1c2ccccc2)N(Cc3c[nH]cn3)Cc4c[nH]cn
    4; c1ccc(cc1)C2=NNC(=S)N2CCC[C@@H](C(=O)
    O)N(Cc3c[nH]cn3)Cc4c[nH]cn4; OC(=O)[C@H]
    (CCCN1C(=S)NN=C1c2ccccc2)N(Cc3c[nH]cn3)C
    c4c[nH]cn4    		 (2~{S})-2-[bis(1~{H}-imidazol-4-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid
    27648
    L2S
    ZINC000000449964    		 1 C14 H19 N O S InChI=1S/C14H19NOS/c1-12-
    5-7-13(8-6-12)17-11-14(16
    )15-9-3-2-4-10-15/h5-8H,2
    -4,9-11H2,1H3;
    SHRAJQKNTTWFAA-UHFFFAOYSA-N    		 O=C(N1CCCCC1)CSc2ccc(cc2)C; Cc1ccc(SCC(=
    O)N2CCCCC2)cc1; Cc1ccc(cc1)SCC(=O)N2CCCC
    C2    		 1-{[(4-methylphenyl)sulfanyl]acetyl}piperidine
    27649
    L2T
    ZINC000066156916    		 4 C36 H39 N3 O5 InChI=1S/C36H39N3O5/c1-25
    -11-9-10-16-30(25)23-37-3
    5(42)32(22-17-27-12-5-3-6
    -13-27)38-36(43)33(26(2)4
    0)39-34(41)29-18-20-31(21
    -19-29)44-24-28-14-7-4-8-
    15-28/h3-16,18-21,26,32-3
    3,40H,17,22-24H2,1-2H3,(H
    ,37,42)(H,38,43)(H,39,41)
    /t26-,32+,33+/m1/s1;
    PXUPYVNAOYVXDS-DJDPXSJISA-N    		 C[C@@H](O)[C@H](NC(=O)c1ccc(OCc2ccccc2)c
    c1)C(=O)N[C@@H](CCc3ccccc3)C(=O)NCc4cccc
    c4C; Cc1ccccc1CNC(=O)[C@H](CCc2ccccc2)NC
    (=O)[C@H]([C@@H](C)O)NC(=O)c3ccc(cc3)OCc
    4ccccc4; C[CH](O)[CH](NC(=O)c1ccc(OCc2cc
    ccc2)cc1)C(=O)N[CH](CCc3ccccc3)C(=O)NCc4
    ccccc4C; Cc1ccccc1CNC(=O)C(CCc2ccccc2)NC
    (=O)C(C(C)O)NC(=O)c3ccc(cc3)OCc4ccccc4;
    O=C(NCc1ccccc1C)C(NC(=O)C(NC(=O)c3ccc(OC
    c2ccccc2)cc3)C(O)C)CCc4ccccc4    		 4-(benzyloxy)-N-[(1S,2R)-2-hydroxy-1-({(1S)-1-[(2-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)propyl]benzamide
    27650
    L2U    		 2 C41 H57 N9 O13 S InChI=1S/C41H57N9O13S/c1-
    23(2)20-30(40(59)49(3)31(
    16-18-35(53)54)38(57)45-1
    9-5-4-6-33(43)51)47-39(58
    )32-21-26(42)22-50(32)34(
    52)17-15-29(41(60)61)48-6
    4(62,63)28-13-11-27(12-14
    -28)46-37(56)25-9-7-24(8-
    10-25)36(44)55/h7-14,23,2
    6,29-32,48H,4-6,15-22,42H
    2,1-3H3,(H2,43,51)(H2,44,
    55)(H,45,57)(H,46,56)(H,4
    7,58)(H,53,54)(H,60,61)/t
    26-,29+,30-,31-,32-/m0/s1;
    XGGNDAOPHPLHFW-PVNIVXITSA-N    		 CC(C)C[C@@H](C(=O)N(C)[C@@H](CCC(=O)O)C(
    =O)NCCCCC(=O)N)NC(=O)[C@@H]1C[C@@H](CN1C
    (=O)CC[C@H](C(=O)O)NS(=O)(=O)c2ccc(cc2)N
    C(=O)c3ccc(cc3)C(=O)N)N; CC(C)C[C@H](NC(
    =O)[C@@H]1C[C@H](N)CN1C(=O)CC[C@@H](N[S]
    (=O)(=O)c2ccc(NC(=O)c3ccc(cc3)C(N)=O)cc2
    )C(O)=O)C(=O)N(C)[C@@H](CCC(O)=O)C(=O)NC
    CCCC(N)=O; CC(C)C[CH](NC(=O)[CH]1C[CH](N
    )CN1C(=O)CC[CH](N[S](=O)(=O)c2ccc(NC(=O)
    c3ccc(cc3)C(N)=O)cc2)C(O)=O)C(=O)N(C)[CH
    ](CCC(O)=O)C(=O)NCCCCC(N)=O; CC(C)CC(C(=
    O)N(C)C(CCC(=O)O)C(=O)NCCCCC(=O)N)NC(=O)
    C1CC(CN1C(=O)CCC(C(=O)O)NS(=O)(=O)c2ccc(
    cc2)NC(=O)c3ccc(cc3)C(=O)N)N    		 (2~{R})-2-[[4-[(4-aminocarbonylphenyl)carbonylamino]phenyl]sulfonylamino]-5-[(2~{S},4~{S})-4-azanyl-2-[[(2~{S})-1-[[(2~{S})-1-[(5-azanyl-5-oxidanylidene-pentyl)amino]-5-oxidanyl-1,5-bis(oxidanylidene)pentan-2-yl]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxidanylidene-pentanoic acid
    27651
    L2V    		 1 C32 H28 N6 O2 InChI=1S/C32H28N6O2/c1-4-
    33-32(40)30(38-31(39)25-1
    1-13-27-29(19-25)37-21(3)
    20(2)36-27)18-24-7-5-6-22
    (16-24)8-9-23-10-12-26-28
    (17-23)35-15-14-34-26/h5-
    7,10-17,19,30H,4,18H2,1-3
    H3,(H,33,40)(H,38,39)/t30
    -/m1/s1;
    HHORYOJAJULUEH-SSEXGKCCSA-N    		 CCNC(=O)[C@@H](Cc1cccc(c1)C#Cc2ccc3c(c2)
    nccn3)NC(=O)c4ccc5c(c4)nc(c(n5)C)C; CCNC
    (=O)[CH](Cc1cccc(c1)C#Cc2ccc3nccnc3c2)NC
    (=O)c4ccc5nc(C)c(C)nc5c4; CCNC(=O)[C@@H]
    (Cc1cccc(c1)C#Cc2ccc3nccnc3c2)NC(=O)c4cc
    c5nc(C)c(C)nc5c4; CCNC(=O)C(Cc1cccc(c1)C
    #Cc2ccc3c(c2)nccn3)NC(=O)c4ccc5c(c4)nc(c
    (n5)C)C    		 N-[(2R)-1-(ethylamino)-1-oxidanylidene-3-[3-(2-quinoxalin-6-ylethynyl)phenyl]propan-2-yl]-2,3-dimethyl-quinoxaline-6-carboxamide
    27652
    L2W
    CHEMBL4787841    		 1 C23 H29 N3 O5 S InChI=1S/C23H29N3O5S/c1-1
    5-21-17(8-4-5-9-19(21)27)
    22(24-15)23(28)25-18-14-1
    6(10-11-20(18)31-2)32(29,
    30)26-12-6-3-7-13-26/h10-
    11,14,24H,3-9,12-13H2,1-2
    H3,(H,25,28);
    GACUWBJOGWUMHF-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc2
    3)[S](=O)(=O)N4CCCCC4; Cc1c2c(c([nH]1)C(
    =O)Nc3cc(ccc3OC)S(=O)(=O)N4CCCCC4)CCCCC2
    =O    		 ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    27653
    L2X    		 4 C28 H29 N3 O5 InChI=1S/C28H29N3O5/c32-2
    2-13-11-19(12-14-22)15-16
    -29-27(34)24-25(36-24)28(
    35)31-23(17-20-7-3-1-4-8-
    20)26(33)30-18-21-9-5-2-6
    -10-21/h1-14,23-25,32H,15
    -18H2,(H,29,34)(H,30,33)(
    H,31,35)/t23-,24-,25-/m0/
    s1;
    ZMZQYVMNDRBKLO-SDHOMARFSA-N    		 c1ccc(cc1)C[C@@H](C(=O)NCc2ccccc2)NC(=O)
    [C@@H]3[C@H](O3)C(=O)NCCc4ccc(cc4)O; Oc1
    ccc(CCNC(=O)[CH]2O[CH]2C(=O)N[CH](Cc3ccc
    cc3)C(=O)NCc4ccccc4)cc1; Oc1ccc(CCNC(=O)
    [C@H]2O[C@@H]2C(=O)N[C@@H](Cc3ccccc3)C(=
    O)NCc4ccccc4)cc1; c1ccc(cc1)CC(C(=O)NCc2
    ccccc2)NC(=O)C3C(O3)C(=O)NCCc4ccc(cc4)O    		 (2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide;
    (2S,3S)-2-N-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide
    27654
    L2Y    		 4 C7 H16 F N2 O P InChI=1S/C7H16FN2OP/c1-5-
    10(6-2)7(3)9-12(4,8)11/h5
    -6H2,1-4H3/b9-7+/t12-/m0/
    s1;
    OUJDIWHRYQBZSR-CRALRDPISA-N    		 CCN(CC)C(\C)=N\P(C)(=O)F; CCN(CC)/C(=N/[
    P@](=O)(C)F)/C; CCN(CC)C(C)=N[P](C)(F)=O
    ; CCN(CC)C(C)=N[P@](C)(F)=O; CCN(CC)C(=N
    P(=O)(C)F)C    		 (S)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidic fluoride;
    A-230 (Nerve agent)
    27655
    L2Z
    CHEMBL4776447    		 1 C23 H27 N3 O6 S InChI=1S/C23H27N3O6S/c1-1
    4-20-16(5-3-4-6-18(20)27)
    21(24-14)22(28)25-17-9-15
    (7-8-19(17)31-2)33(29,30)
    26-10-23(11-26)12-32-13-2
    3/h7-9,24H,3-6,10-13H2,1-
    2H3,(H,25,28);
    FQZLYYSRDPJOHB-UHFFFAOYSA-N    		 Cc1c2c(c([nH]1)C(=O)Nc3cc(ccc3OC)S(=O)(=
    O)N4CC5(C4)COC5)CCCCC2=O; COc1ccc(cc1NC(
    =O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N
    4CC5(COC5)C4    		 ~{N}-[2-methoxy-5-(2-oxa-6-azaspiro[3.3]heptan-6-ylsulfonyl)phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    27656
    L30
    ZINC000003157529    		 2 C16 H12 N2 O InChI=1S/C16H12N2O/c19-16
    (13-7-4-10-17-11-13)18-15
    -9-3-6-12-5-1-2-8-14(12)1
    5/h1-11H,(H,18,19);
    OZOFJVFWGZHBHV-UHFFFAOYSA-N    		 O=C(Nc1cccc2ccccc12)c3cccnc3; O=C(Nc1ccc
    c2ccccc21)c1cccnc1; c1ccc2c(c1)cccc2NC(=
    O)c3cccnc3    		 N-(naphthalen-1-yl)pyridine-3-carboxamide
    27657
    L31
    ZINC000045337234    		 2 C20 H20 N2 O2 InChI=1S/C20H20N2O2/c1-12
    -6-7-18-17(10-12)16-8-9-2
    2(13(2)23)20(19(16)21-18)
    14-4-3-5-15(24)11-14/h3-7
    ,10-11,20-21,24H,8-9H2,1-
    2H3/t20-/m1/s1;
    ZNGGYWGHJZJJDR-HXUWFJFHSA-N    		 Cc1ccc2c(c1)c3c([nH]2)C(N(CC3)C(=O)C)c4c
    ccc(c4)O; Cc1ccc2c(c1)c3c([nH]2)[C@H](N(
    CC3)C(=O)C)c4cccc(c4)O; O=C(N4CCc2c1cc(c
    cc1nc2C4c3cccc(O)c3)C)C; CC(=O)N1CCc2c([
    nH]c3ccc(C)cc23)[C@H]1c4cccc(O)c4; CC(=O
    )N1CCc2c([nH]c3ccc(C)cc23)[CH]1c4cccc(O)
    c4    		 3-[(1R)-2-acetyl-6-methyl-2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl]phenol
    27658
    L32
    ZINC000584905596    		 1 C15 H9 Br2 N O3 InChI=1S/C15H9Br2NO3/c16-
    8-1-3-10-11-4-2-9(17)6-13
    (11)15(12(10)5-8)18-21-7-
    14(19)20/h1-6H,7H2,(H,19,
    20);
    SSUCUHRDWSCTFP-UHFFFAOYSA-N    		 c1cc-2c(cc1Br)C(=NOCC(=O)O)c3c2ccc(c3)Br
    ; OC(=O)CON=C1c2cc(Br)ccc2c3ccc(Br)cc13;
    Brc3ccc2c1ccc(cc1C(\c2c3)=N/OCC(O)=O)Br    		 {[(2,7-dibromo-9H-fluoren-9-ylidene)amino]oxy}acetic acid
    27659
    L33
    CHEMBL3786456
    ZINC000054852589    		 1 C20 H27 N3 O4 S InChI=1S/C20H27N3O4S/c1-6
    -17-18(14(5)24)13(4)21-19
    (17)20(25)22-15-10-9-11-1
    6(12-15)28(26,27)23(7-2)8
    -3/h9-12,21H,6-8H2,1-5H3,
    (H,22,25);
    MKVQSNKXUKWRMD-UHFFFAOYSA-N    		 CCN(CC)[S](=O)(=O)c1cccc(NC(=O)c2[nH]c(C
    )c(C(C)=O)c2CC)c1; CCc1c(c([nH]c1C(=O)Nc
    2cccc(c2)S(=O)(=O)N(CC)CC)C)C(=O)C; c1cc
    (cc(c1)NC(c2c(c(C(C)=O)c(n2)C)CC)=O)S(N(
    CC)CC)(=O)=O    		 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
    27660
    L34
    CHEMBL1233930    		 4 C20 H21 N7 O7 InChI=1S/C20H21N7O7/c21-1
    9-24-15-14(17(31)25-19)27
    -11(7-22-15)8-26(20(27)34
    )10-3-1-9(2-4-10)16(30)23
    -12(18(32)33)5-6-13(28)29
    /h1-4,11-12H,5-8H2,(H,23,
    30)(H,28,29)(H,32,33)(H4,
    21,22,24,25,31)/t11-,12+/
    m1/s1;
    JSNFRYBHBVDHSG-NEPJUHHUSA-N    		 O=C(O)C(NC(=O)c4ccc(N3C(=O)N2c1c(nc(nc1O
    )N)NCC2C3)cc4)CCC(=O)O; c1cc(ccc1C(=O)N[
    C@@H](CCC(=O)O)C(=O)O)N2C[C@H]3CNc4c(c(n
    c(n4)N)O)N3C2=O; Nc1nc(O)c2N3[CH](CNc2n1
    )CN(C3=O)c4ccc(cc4)C(=O)N[CH](CCC(O)=O)C
    (O)=O; c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)
    N2CC3CNc4c(c(nc(n4)N)O)N3C2=O; Nc1nc(O)c
    2N3[C@H](CNc2n1)CN(C3=O)c4ccc(cc4)C(=O)N
    [C@@H](CCC(O)=O)C(O)=O    		 4-(7-AMINO-9-HYDROXY-1-OXO-3,3A,4,5-TETRAHYDRO-2,5,6,8,9B-PENTAAZA-CYCLOPENTA[A]NAPHTHALEN-2-YL)-PHENYLCARBONYL-GLUTAMI C ACID;
    LY345899
    27661
    L35
    CHEMBL76029
    DB08077
    ZINC000003646141    		 16 C17 H16 Cl2 N2 O4 InChI=1S/C17H16Cl2N2O4/c1
    -17(2,15(22)23)25-14-5-3-
    12(4-6-14)20-16(24)21-13-
    8-10(18)7-11(19)9-13/h3-9
    H,1-2H3,(H,22,23)(H2,20,2
    1,24);
    OYJPTSMWFKGZJM-UHFFFAOYSA-N    		 CC(C)(Oc1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
    )C(O)=O; CC(C)(C(=O)O)Oc1ccc(cc1)NC(=O)N
    c2cc(cc(c2)Cl)Cl; Clc2cc(NC(=O)Nc1ccc(OC
    (C(=O)O)(C)C)cc1)cc(Cl)c2    		 2-[4-({[(3,5-DICHLOROPHENYL)AMINO]CARBONYL}AMINO)PHENOXY]-2-METHYLPROPANOIC ACID
    27662
    L36    		 2 C15 H23 N3 O3 InChI=1S/C15H23N3O3/c1-3-
    9-18(11-12-5-7-13(16)8-6-
    12)15(20)17-10-14(19)21-4
    -2/h5-8H,3-4,9-11,16H2,1-
    2H3,(H,17,20);
    KHLQRJYGXHCNMH-UHFFFAOYSA-N    		 CCCN(Cc1ccc(cc1)N)C(=O)NCC(=O)OCC; CCCN(
    Cc1ccc(N)cc1)C(=O)NCC(=O)OCC    		 ethyl 2-[[(4-aminophenyl)methyl-propyl-carbamoyl]amino]ethanoate
    27663
    L37
    DB02358    		 1 C17 H19 N7 O7 InChI=1S/C17H19N7O7/c18-1
    1-12(22-16(19)24-14(11)28
    )23-17(31)20-8-3-1-7(2-4-
    8)13(27)21-9(15(29)30)5-6
    -10(25)26/h1-4,9H,5-6,18H
    2,(H,21,27)(H,25,26)(H,29
    ,30)(H5,19,20,22,23,24,28
    ,31)/t9-/m0/s1;
    SZHRIPFGZWWRKW-VIFPVBQESA-N    		 c1cc(ccc1C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)N
    c2c(c(nc(n2)N)O)N; Nc1nc(O)c(N)c(NC(=O)N
    c2ccc(cc2)C(=O)N[C@@H](CCC(O)=O)C(O)=O)n
    1; O=C(O)C(NC(=O)c1ccc(cc1)NC(=O)Nc2nc(n
    c(O)c2N)N)CCC(=O)O; c1cc(ccc1C(=O)N[C@@H
    ](CCC(=O)O)C(=O)O)NC(=O)Nc2c(c(nc(n2)N)O
    )N; Nc1nc(O)c(N)c(NC(=O)Nc2ccc(cc2)C(=O)
    N[CH](CCC(O)=O)C(O)=O)n1    		 [[N'-(2,5-DIAMINO-6-HYDROXY-PYRIMIDIN-4-YL)-UREAYL]-PHEN-4-YL]-CARBONYL-GLUTAMIC ACID;
    LY374571
    27664
    L39
    ZINC000098209095    		 2 C27 H41 I O3 InChI=1S/C27H41IO3/c1-16(
    15-28)5-8-23(30)17(2)25-2
    4(31)14-22-20-7-6-18-13-1
    9(29)9-11-26(18,3)21(20)1
    0-12-27(22,25)4/h6,16-17,
    19-22,25,29H,5,7-15H2,1-4
    H3/t16-,17-,19+,20-,21+,2
    2+,25+,26+,27+/m1/s1;
    AWHQELOUIOILMT-WQTURIIHSA-N    		 CC(CCC(=O)C(C)C1C(=O)CC2C1(CCC3C2CC=C4C3
    (CCC(C4)O)C)C)CI; ICC(C)CCC(=O)C(C1C(=O)
    CC2C1(C)CCC3C2CC=C4C3(CCC(O)C4)C)C; C[C@
    H](CCC(=O)[C@@H](C)[C@H]1C(=O)C[C@@H]2[C
    @@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](
    C4)O)C)C)CI; C[C@@H](CI)CCC(=O)[C@@H](C)
    [C@H]1C(=O)C[C@H]2[C@@H]3CC=C4C[C@@H](O)
    CC[C@]4(C)[C@H]3CC[C@]12C; C[CH](CI)CCC(
    =O)[CH](C)[CH]1C(=O)C[CH]2[CH]3CC=C4C[CH
    ](O)CC[C]4(C)[CH]3CC[C]12C    		 (3beta,9beta,25R)-3-hydroxy-26-iodocholest-5-ene-16,22-dione
    27665
    L3A
    ZINC000025109495    		 3 C9 H20 N O4 P InChI=1S/C9H20NO4P/c1-6(2
    )4-8(10)15(13,14)5-7(3)9(
    11)12/h6-8H,4-5,10H2,1-3H
    3,(H,11,12)(H,13,14)/t7-,
    8+/m0/s1;
    PYHFMEIRRPJIRC-JGVFFNPUSA-N    		 CC(C)CC(N)P(=O)(CC(C)C(=O)O)O; C[C@@H](C
    P(=O)([C@H](CC(C)C)N)O)C(=O)O; CC(C)C[CH
    ](N)[P](O)(=O)C[CH](C)C(O)=O; O=P(O)(C(N
    )CC(C)C)CC(C(=O)O)C; CC(C)C[C@H](N)[P](O
    )(=O)C[C@H](C)C(O)=O    		 (2R)-3-[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]-2-methylpropanoic acid;
    L-LEU-D-ALA PHOSPHINATE PSEUDODIPEPTIDE
    27666
    L3B
    ZINC000039702778    		 2 C9 H7 N3 S InChI=1S/C9H7N3S/c1-6-4-2
    -3-5-7(6)8-10-9(13)12-11-
    8/h2-5H,1H3;
    DEADBTNDSDWXDC-UHFFFAOYSA-N    		 Cc1ccccc1C2=NC(=S)N=N2; S=C1N=NC(=N1)c2c
    cccc2C    		 5-(2-methylphenyl)-3H-1,2,4-triazole-3-thione
    27667
    L3C
    CHEMBL101844
    ZINC000001713271    		 1 C8 H7 Cl O2 InChI=1S/C8H7ClO2/c9-5-6-
    1-3-7(4-2-6)8(10)11/h1-4H
    ,5H2,(H,10,11);
    OITNBJHJJGMFBN-UHFFFAOYSA-N    		 c1cc(ccc1CCl)C(=O)O; ClCc1ccc(cc1)C(=O)O
    ; OC(=O)c1ccc(CCl)cc1    		 4-(chloromethyl)benzoic acid
    27668
    L3D
    CHEMBL3259907
    ZINC000169335815    		 25 C27 H26 N2 O4 InChI=1S/C27H26N2O4/c1-15
    -21(25(26(30)31)33-27(2,3
    )4)23(17-7-5-6-8-19(17)29
    -15)18-9-10-20-22-16(12-1
    4-32-20)11-13-28-24(18)22
    /h5-11,13,25H,12,14H2,1-4
    H3,(H,30,31)/t25-/m0/s1;
    MIXIIJCBELCMCZ-VWLOTQADSA-N    		 Cc1nc2ccccc2c(c3ccc4OCCc5ccnc3c45)c1[CH]
    (OC(C)(C)C)C(O)=O; Cc1c(c(c2ccccc2n1)c3c
    cc4c5c3nccc5CCO4)C(C(=O)O)OC(C)(C)C; Cc1
    c(c(c2ccccc2n1)c3ccc4c5c3nccc5CCO4)[C@@H
    ](C(=O)O)OC(C)(C)C; Cc1nc2ccccc2c(c3ccc4
    OCCc5ccnc3c45)c1[C@H](OC(C)(C)C)C(O)=O;
    Cc4c(C(C(=O)O)OC(C)(C)C)c(c1c3c2c(cc1)OC
    Cc2ccn3)c5c(n4)cccc5    		 (2S)-tert-butoxy[4-(2,3-dihydropyrano[4,3,2-de]quinolin-7-yl)-2-methylquinolin-3-yl]acetic acid
    27669
    L3E    		 5 C22 H13 Cl F3 N3 O3 InChI=1S/C22H13ClF3N3O3/c
    23-17-3-1-2-16(22(24,25)2
    6)18(17)19-15(20(32-29-19
    )13-8-9-27-10-13)11-28-14
    -6-4-12(5-7-14)21(30)31/h
    1-11,27H,(H,30,31)/b28-11
    +;
    LJVOVLBKDUEQOP-IPBVOBEMSA-N    		 c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)/C=N
    /c4ccc(cc4)C(=O)O)C(F)(F)F; OC(=O)c1ccc(
    cc1)N=Cc2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[
    nH]cc4; c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH
    ]c3)C=Nc4ccc(cc4)C(=O)O)C(F)(F)F    		 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid
    27670
    L3F    		 4 C22 H28 N2 O4 InChI=1S/C22H28N2O4/c1-16
    (2)20(24-22(27)28-15-18-1
    1-7-4-8-12-18)21(26)23-19
    (14-25)13-17-9-5-3-6-10-1
    7/h3-12,16,19-20,25H,13-1
    5H2,1-2H3,(H,23,26)(H,24,
    27)/t19-,20-/m0/s1;
    VLFHBNSJHLMKMM-PMACEKPBSA-N    		 CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](CO
    )Cc2ccccc2; CC(C)[C@H](NC(=O)OCc1ccccc1)
    C(=O)N[C@H](CO)Cc2ccccc2; CC(C)C(C(=O)NC
    (Cc1ccccc1)CO)NC(=O)OCc2ccccc2; CC(C)[C@
    @H](C(=O)N[C@@H](Cc1ccccc1)CO)NC(=O)OCc2
    ccccc2    		 (phenylmethyl) N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]carbamate;
    benzyl N-[(2S)-1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate;
    calpain inhibitor III
    27671
    L3G
    CHEMBL381203
    ZINC000016051846    		 2 C32 H36 N8 O3 InChI=1S/C32H36N8O3/c1-38
    -25-6-4-3-5-20(25)17-26(3
    8)32(41)36-24-8-7-21(18-2
    7(24)42-2)29-28-30(33)34-
    19-35-31(28)40(37-29)23-9
    -13-39(14-10-23)22-11-15-
    43-16-12-22/h3-8,17-19,22
    -23H,9-16H2,1-2H3,(H,36,4
    1)(H2,33,34,35);
    CMFPSTWYLODPNE-UHFFFAOYSA-N    		 Cn1c2ccccc2cc1C(=O)Nc3ccc(cc3OC)c4c5c(nc
    nc5n(n4)C6CCN(CC6)C7CCOCC7)N; COc1cc(ccc
    1NC(=O)c2cc3ccccc3n2C)c4nn(C5CCN(CC5)C6C
    COCC6)c7ncnc(N)c47; O=C(c2cc1ccccc1n2C)N
    c3ccc(cc3OC)c5nn(c4ncnc(N)c45)C7CCN(C6CC
    OCC6)CC7    		 N-(4-{4-AMINO-1-[1-(TETRAHYDRO-2H-PYRAN-4-YL)PIPERIDIN-4-YL]-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL}-2-METHOXYPHENYL)-1-METHYL-1H-INDOLE-2-CARBOXAMIDE
    27672
    L3H    		 1 C21 H25 N2 O2 InChI=1S/C21H24N2O2/c24-2
    1(22-18-9-2-1-3-10-18)25-
    20-11-6-12-23(15-20)19-13
    -16-7-4-5-8-17(16)14-19/h
    1-5,7-10,19-20H,6,11-15H2
    ,(H,22,24)/p+1/t20-/m0/s1;
    ISMYNYFEVMBAEI-FQEVSTJZSA-O    		 c1ccc(cc1)NC(=O)O[C@H]2CCC[NH+](C2)C3Cc4
    ccccc4C3; O=C(Nc1ccccc1)O[C@H]2CCC[NH+](
    C2)C3Cc4ccccc4C3; c1ccc(cc1)NC(=O)OC2CCC
    [NH+](C2)C3Cc4ccccc4C3; O=C(Nc1ccccc1)O[
    CH]2CCC[NH+](C2)C3Cc4ccccc4C3    		 [(3~{S})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-1-ium-3-yl] ~{N}-phenylcarbamate
    27673
    L3I    		 1 C16 H17 Cl N2 O InChI=1S/C16H17ClN2O/c1-1
    1-7-8-18-10-14(11)19-15(2
    0)16(2,3)12-5-4-6-13(17)9
    -12/h4-10H,1-3H3,(H,19,20
    );
    QOWQEKIGADCHLL-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)C(C)(C)c2cccc(c2)Cl; O=C(
    Nc1cnccc1C)C(C)(C)c1cccc(Cl)c1; Cc1ccncc
    1NC(=O)C(C)(C)c2cccc(Cl)c2    		 2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide
    27674
    L3J    		 3 C32 H46 N4 O5 S InChI=1S/C32H46N4O5S/c1-6
    -14-36(42(5,40)41)29-18-2
    6-11-8-7-10-24-12-9-13-25
    (15-24)17-28(35-31(38)27(
    16-26)19-29)21-33-30(23(4
    )37)32(39)34-20-22(2)3/h9
    ,12-13,15-16,18-20,22-23,
    28,30,33,37H,6-8,10-11,14
    ,17,21H2,1-5H3,(H,35,38)/
    b34-20+/t23-,28-,30+/m0/s
    1;
    DQMUZJCEBNKYBU-PQJSMVLXSA-N    		 CCCN(c1cc2cc(c1)C(=O)N[C@@H](Cc3cccc(c3)
    CCCC2)CN[C@H]([C@H](C)O)C(=O)/N=C/C(C)C)
    S(=O)(=O)C; C(\C=N\C(C(NCC2NC(=O)c1cc(cc
    (N(CCC)S(C)(=O)=O)c1)CCCCc3cccc(C2)c3)C(
    C)O)=O)(C)C; CCCN(c1cc2CCCCc3cccc(C[C@@H
    ](CN[C@H]([C@H](C)O)C(=O)N=CC(C)C)NC(=O)
    c(c2)c1)c3)[S](C)(=O)=O; CCCN(c1cc2cc(c1
    )C(=O)NC(Cc3cccc(c3)CCCC2)CNC(C(C)O)C(=O
    )N=CC(C)C)S(=O)(=O)C; CCCN(c1cc2CCCCc3cc
    cc(C[CH](CN[CH]([CH](C)O)C(=O)N=CC(C)C)N
    C(=O)c(c2)c1)c3)[S](C)(=O)=O    		 (E)-N-(2-methylpropylidene)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-D-threoninamide
    27675
    L3K
    ZINC000002566009    		 1 C9 H9 Br O2 InChI=1S/C9H9BrO2/c10-6-5
    -7-1-3-8(4-2-7)9(11)12/h1
    -4H,5-6H2,(H,11,12);
    BKMRWJWLBHHGCF-UHFFFAOYSA-N    		 c1cc(ccc1CCBr)C(=O)O; BrCCc1ccc(cc1)C(=O
    )O; OC(=O)c1ccc(CCBr)cc1    		 4-(2-bromoethyl)benzoic acid
    27676
    L3L
    CHEMBL597890
    ZINC000045367153    		 1 C14 H17 N3 O2 InChI=1S/C14H17N3O2/c15-1
    3(18)11-3-1-2-9-8-17(14(1
    9)12(9)11)10-4-6-16-7-5-1
    0/h1-3,10,16H,4-8H2,(H2,1
    5,18);
    KISOFIKBJFDVKM-UHFFFAOYSA-N    		 NC(=O)c1cccc2CN(C3CCNCC3)C(=O)c12; c1cc2
    c(c(c1)C(=O)N)C(=O)N(C2)C3CCNCC3    		 3-oxo-2-piperidin-4-yl-2,3-dihydro-1H-isoindole-4-carboxamide
    27677
    L3M    		 5 C34 H52 N4 O5 S InChI=1S/C34H52N4O5S/c1-6
    -11-31(39)32(34(41)36-22-
    24(3)4)35-23-29-19-26-15-
    10-14-25(17-26)12-8-9-13-
    27-18-28(33(40)37-29)21-3
    0(20-27)38(16-7-2)44(5,42
    )43/h10,14-15,17-18,20-21
    ,24,29,31-32,35,39H,6-9,1
    1-13,16,19,22-23H2,1-5H3,
    (H,36,41)(H,37,40)/t29-,3
    1-,32-/m0/s1;
    BUVUUWHTEARFCT-GOBOWQCMSA-N    		 CCC[C@H](O)[C@H](NC[C@@H]1Cc2cccc(CCCCc3
    cc(cc(c3)C(=O)N1)N(CCC)[S](C)(=O)=O)c2)C
    (=O)NCC(C)C; O=C3c1cc(cc(c1)CCCCc2cc(ccc
    2)CC(CNC(C(CCC)O)C(=O)NCC(C)C)N3)N(CCC)S
    (C)(=O)=O; CCCC(C(C(=O)NCC(C)C)NCC1Cc2cc
    cc(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(
    =O)N1)O; CCC[C@@H]([C@@H](C(=O)NCC(C)C)N
    C[C@@H]1Cc2cccc(c2)CCCCc3cc(cc(c3)N(CCC)
    S(=O)(=O)C)C(=O)N1)O; CCC[CH](O)[CH](NC[
    CH]1Cc2cccc(CCCCc3cc(cc(c3)C(=O)N1)N(CCC
    )[S](C)(=O)=O)c2)C(=O)NCC(C)C    		 (3S)-3-hydroxy-N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide
    27678
    L3N
    CHEMBL421646
    ZINC000000150158    		 2 C8 H6 N2 O2 InChI=1S/C8H6N2O2/c11-7-5
    -3-1-2-4-6(5)9-8(12)10-7/
    h1-4H,(H2,9,10,11,12);
    SDQJTWBNWQABLE-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)NC(=O)N2; O=C1NC(=O)c2cc
    ccc2N1    		 1~{H}-quinazoline-2,4-dione
    27679
    L3O
    ZINC000005759815    		 0 C7 H15 N O3 InChI=1S/C7H15NO3/c1-4(2)
    3-5(8)6(9)7(10)11/h4-6,9H
    ,3,8H2,1-2H3,(H,10,11)/t5
    -,6-/m0/s1;
    GZLMFCWSEKVVGO-WDSKDSINSA-N    		 CC(C)C[C@@H]([C@@H](C(=O)O)O)N; O=C(O)C(
    O)C(N)CC(C)C; CC(C)CC(C(C(=O)O)O)N; CC(C
    )C[C@H](N)[C@H](O)C(O)=O; CC(C)C[CH](N)[
    CH](O)C(O)=O    		 (2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid
    27680
    L3P
    DB02293    		 0 C46 H94 O11 P2 InChI=1S/C46H96O11P2/c1-3
    7(2)17-11-19-39(5)21-13-2
    3-41(7)25-15-27-43(9)29-3
    1-53-35-46(36-57-59(51,52
    )56-34-45(47)33-55-58(48,
    49)50)54-32-30-44(10)28-1
    6-26-42(8)24-14-22-40(6)2
    0-12-18-38(3)4/h37-47H,11
    -36H2,1-10H3,(H,51,52)(H2
    ,48,49,50)/p-2/t39?,40?,4
    1-,42-,43-,44-,45-,46+/m1
    /s1;
    TZXJQSKPTCRGCA-VZSPAKCESA-L    		 [O-]P(=O)(O)OCC(O)COP([O-])(=O)OCC(OCCC(
    C)CCCC(C)CCCC(C)CCCC(C)C)COCCC(C)CCCC(C)
    CCCC(C)CCCC(C)C; CC(C)CCCC(C)CCC[C@@H](C
    )CCC[C@@H](C)CCOC[C@@H](CO[P]([O-])(=O)O
    C[C@H](O)CO[P](O)([O-])=O)OCC[C@H](C)CCC
    [C@H](C)CCCC(C)CCCC(C)C; CC(C)CCC[C@@H](
    C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@@H](CO[
    P@](=O)([O-])OC[C@@H](CO[P@](=O)(O)[O-])
    O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(
    C)C; CC(C)CCCC(C)CCCC(C)CCCC(C)CCOCC(COP
    (=O)([O-])OCC(COP(=O)(O)[O-])O)OCCC(C)CC
    CC(C)CCCC(C)CCCC(C)C; CC(C)CCCC(C)CCC[CH
    ](C)CCC[CH](C)CCOC[CH](CO[P]([O-])(=O)OC
    [CH](O)CO[P](O)([O-])=O)OCC[CH](C)CCC[CH
    ](C)CCCC(C)CCCC(C)C    		 2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL-1'-PHOSPHATE
    27681
    L3Q
    ZINC000016697980    		 1 C6 H10 N2 O2 InChI=1S/C6H10N2O2/c9-6-8
    -2-1-7-3-5(8)4-10-6/h5,7H
    ,1-4H2/t5-/m0/s1;
    SWKVQJQPSGTEBD-YFKPBYRVSA-N    		 O=C1OC[C@@H]2CNCCN12; O=C1OC[CH]2CNCCN12
    ; C1CN2[C@@H](CN1)COC2=O; C1CN2C(CN1)COC
    2=O    		 (8~{a}~{S})-1,5,6,7,8,8~{a}-hexahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
    27682
    L3R
    CHEMBL2048484
    DB08907
    ZINC000043207238    		 1 C24 H25 F O5 S InChI=1S/C24H25FO5S/c1-13
    -2-3-15(24-23(29)22(28)21
    (27)19(12-26)30-24)10-16(
    13)11-18-8-9-20(31-18)14-
    4-6-17(25)7-5-14/h2-10,19
    ,21-24,26-29H,11-12H2,1H3
    /t19-,21-,22+,23-,24+/m1/
    s1;
    XTNGUQKDFGDXSJ-ZXGKGEBGSA-N    		 Cc1ccc(cc1Cc2sc(cc2)c3ccc(F)cc3)[CH]4O[C
    H](CO)[CH](O)[CH](O)[CH]4O; Cc1ccc(cc1Cc
    2sc(cc2)c3ccc(F)cc3)[C@@H]4O[C@H](CO)[C@
    @H](O)[C@H](O)[C@H]4O; Cc1ccc(cc1Cc2ccc(
    s2)c3ccc(cc3)F)C4C(C(C(C(O4)CO)O)O)O; Cc
    1ccc(cc1Cc2ccc(s2)c3ccc(cc3)F)[C@H]4[C@@
    H]([C@H]([C@@H]([C@H](O4)CO)O)O)O    		 (2~{S},3~{R},4~{R},5~{S},6~{R})-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methyl-phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol;
    Canagliflozin
    27683
    L3S
    ZINC000034859009    		 1 C7 H7 N O3 InChI=1S/C7H7NO3/c1-5-2-3
    -6(8(10)11)7(9)4-5/h2-4,9
    H,1H3;
    NQXUSSVLFOBRSE-UHFFFAOYSA-N    		 Cc1ccc(c(c1)O)[N+](=O)[O-]; c1(cc(C)ccc1
    [N+](=O)[O-])O; Cc1ccc(c(O)c1)[N+]([O-])
    =O    		 5-methyl-2-nitrophenol
    27684
    L3T
    ZINC000066157005    		 4 C35 H40 N6 O5 InChI=1S/C35H40N6O5/c1-22
    -9-5-6-10-24(22)19-38-32(
    44)28(17-23-13-15-36-16-1
    4-23)40-33(45)29(18-30(42
    )39-21-35(2,3)4)41-34(46)
    31(43)26-20-37-27-12-8-7-
    11-25(26)27/h5-16,20,28-2
    9,37H,17-19,21H2,1-4H3,(H
    ,38,44)(H,39,42)(H,40,45)
    (H,41,46)/t28-,29-/m0/s1;
    GXQREPYVKBZJGC-VMPREFPWSA-N    		 Cc1ccccc1CNC(=O)[C@H](Cc2ccncc2)NC(=O)[C
    @H](CC(=O)NCC(C)(C)C)NC(=O)C(=O)c3c[nH]c
    4ccccc34; Cc1ccccc1CNC(=O)[CH](Cc2ccncc2
    )NC(=O)[CH](CC(=O)NCC(C)(C)C)NC(=O)C(=O)
    c3c[nH]c4ccccc34; O=C(NCc1ccccc1C)C(NC(=
    O)C(NC(=O)C(=O)c3c2ccccc2nc3)CC(=O)NCC(C
    )(C)C)Cc4ccncc4; Cc1ccccc1CNC(=O)C(Cc2cc
    ncc2)NC(=O)C(CC(=O)NCC(C)(C)C)NC(=O)C(=O
    )c3c[nH]c4c3cccc4; Cc1ccccc1CNC(=O)[C@H]
    (Cc2ccncc2)NC(=O)[C@H](CC(=O)NCC(C)(C)C)
    NC(=O)C(=O)c3c[nH]c4c3cccc4    		 N-(2,2-dimethylpropyl)-N~2~-[1H-indol-3-yl(oxo)acetyl]-L-asparaginyl-N-(2-methylbenzyl)-3-pyridin-4-yl-L-alaninamide
    27685
    L3U
    CHEMBL4451258    		 1 C16 H26 N4 O9 S InChI=1S/C16H26N4O9S/c1-8
    (2)6-9(17)14(24)18-30(26,
    27)28-7-10-12(22)13(23)15
    (29-10)20-5-4-11(21)19(3)
    16(20)25/h4-5,8-10,12-13,
    15,22-23H,6-7,17H2,1-3H3,
    (H,18,24)/t9-,10+,12+,13+
    ,15+/m0/s1;
    IHQCOGYAMSEDBL-KHBBOIOASA-N    		 CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@
    H]([C@H]([C@@H](O1)N2C=CC(=O)N(C2=O)C)O)
    O)N; CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH
    ]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)N(C)C2=O
    ; CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]
    1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)N(C)C
    2=O; CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1
    )N2C=CC(=O)N(C2=O)C)O)O)N    		 [(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    27686
    L3V
    CHEMBL4476751
    ZINC000002566078    		 1 C9 H11 N O2 InChI=1S/C9H11NO2/c1-7(12
    )10-9-4-2-8(6-11)3-5-9/h2
    -5,11H,6H2,1H3,(H,10,12);
    XEYORFKUJZEQCH-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(CO)cc1; CC(=O)Nc1ccc(cc1)CO N-[4-(hydroxymethyl)phenyl]acetamide
    27687
    L3W    		 2 C21 H29 N7 O16 P2 InChI=1S/C21H29N7O16P2/c2
    2-17-12-19(25-6-24-17)28(
    7-26-12)21-16(34)14(32)11
    (43-21)5-41-46(38,39)44-4
    5(36,37)40-4-10-13(31)15(
    33)20(42-10)27(8-29)3-1-2
    -9(30)18(23)35/h1-3,6-8,1
    0-11,13-16,20-21,30-34H,4
    -5H2,(H2,23,35)(H,36,37)(
    H,38,39)(H2,22,24,25)/b3-
    1+,9-2-/t10-,11-,13-,14-,
    15-,16-,20-,21-/m1/s1;
    QSTZUQWNOOUKGF-OTTADCDWSA-N    		 NC(=O)C(O)=CC=CN(C=O)[CH]1O[CH](CO[P](O)
    (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2
    O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O; c1nc(c
    2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(
    O)OCC4C(C(C(O4)N(C=CC=C(C(=O)N)O)C=O)O)O
    )O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([
    C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[C@@
    H]4[C@H]([C@H]([C@@H](O4)N(/C=C/C=C(/C(=
    O)N)\O)C=O)O)O)O)O)N; NC(=O)\C(O)=C\C=C\
    N(C=O)[C@@H]1O[C@H](CO[P](O)(=O)O[P](O)(
    =O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc
    4c(N)ncnc34)[C@@H](O)[C@H]1O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[[(1~{E},3~{Z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
    27688
    L3X    		 0 C12 H18 N7 O7 P InChI=1S/C12H18N7O7P/c13-
    1-6(20)18-7-5(2-25-27(22,
    23)24)26-12(9(7)21)19-4-1
    7-8-10(14)15-3-16-11(8)19
    /h3-5,7,9,12,21H,1-2,13H2
    ,(H,18,20)(H2,14,15,16)(H
    2,22,23,24)/t5-,7-,9-,12-
    /m1/s1;
    LEUUMALNMKNMGX-MUIQIWNUSA-N    		 O=P(O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1N
    C(=O)CN; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO
    P(=O)(O)O)NC(=O)CN)O)N; NCC(=O)N[CH]1[CH
    ](O)[CH](O[CH]1CO[P](O)(O)=O)n2cnc3c(N)n
    cnc23; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C
    @@H]([C@H](O3)COP(=O)(O)O)NC(=O)CN)O)N;
    NCC(=O)N[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO
    [P](O)(O)=O)n2cnc3c(N)ncnc23    		 3'-deoxy-3'-(glycylamino)adenosine 5'-(dihydrogen phosphate)
    27689
    L3Y
    ZINC000000153759    		 1 C8 H8 O3 S InChI=1S/C8H8O3S/c1-12(10
    ,11)8-4-2-7(6-9)3-5-8/h2-
    6H,1H3;
    PSVPUHBSBYJSMQ-UHFFFAOYSA-N    		 CS(c1ccc(C=O)cc1)(=O)=O; CS(=O)(=O)c1ccc
    (cc1)C=O; C[S](=O)(=O)c1ccc(C=O)cc1    		 4-(methylsulfonyl)benzaldehyde
    27690
    L3Z
    CHEMBL4519157    		 1 C24 H22 N4 O2 InChI=1S/C24H22N4O2/c29-2
    3-17-12-13-25-20(16-17)18
    -8-2-5-11-22(18)30-15-7-1
    -6-14-28-21-10-4-3-9-19(2
    1)26-24(28)27-23/h2-5,8-1
    3,16H,1,6-7,14-15H2,(H,26
    ,27,29);
    HZCFGMWNKNGYOZ-UHFFFAOYSA-N    		 O=C1Nc2nc3ccccc3n2CCCCCOc4ccccc4c5cc1ccn
    5; c1ccc2c(c1)-c3cc(ccn3)C(=O)Nc4nc5cccc
    c5n4CCCCCO2    		 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
    27691
    L40
    CHEMBL3785242
    ZINC000050781913    		 1 C18 H23 N3 O4 S InChI=1S/C18H23N3O4S/c1-6
    -14-16(12(4)22)11(3)20-17
    (14)18(23)21-15-9-13(8-7-
    10(15)2)26(24,25)19-5/h7-
    9,19-20H,6H2,1-5H3,(H,21,
    23);
    KAKRVIDRGACTEX-UHFFFAOYSA-N    		 CCc1c(c([nH]c1C(=O)Nc2cc(ccc2C)S(=O)(=O)
    NC)C)C(=O)C; c1c(c(cc(c1)S(NC)(=O)=O)NC(
    c2c(c(c(n2)C)C(C)=O)CC)=O)C; CCc1c([nH]c
    (C)c1C(C)=O)C(=O)Nc2cc(ccc2C)[S](=O)(=O)
    NC    		 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-1H-pyrrole-2-carboxamide
    27692
    L41
    CHEMBL153057
    DB08078
    ZINC000002541693    		 2 C22 H26 O7 InChI=1S/C22H26O7/c1-3-5-
    19-20(11-10-18(15(2)23)22
    (19)26)28-13-4-12-27-16-6
    -8-17(9-7-16)29-14-21(24)
    25/h6-11,26H,3-5,12-14H2,
    1-2H3,(H,24,25);
    HBBVCKCCQCQCTJ-UHFFFAOYSA-N    		 CCCc1c(O)c(ccc1OCCCOc2ccc(OCC(O)=O)cc2)C
    (C)=O; O=C(O)COc2ccc(OCCCOc1ccc(C(=O)C)c
    (O)c1CCC)cc2; CCCc1c(ccc(c1O)C(=O)C)OCCC
    Oc2ccc(cc2)OCC(=O)O    		 {4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acid
    27693
    L43
    CHEMBL4169967    		 2 C14 H10 N4 O2 InChI=1S/C14H10N4O2/c19-1
    4(20)12-3-1-2-11(8-12)9-4
    -6-10(7-5-9)13-15-17-18-1
    6-13/h1-8H,(H,19,20)(H,15
    ,16,17,18);
    RYTABHHTUFYVNQ-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=O)O)c2ccc(cc2)c3[nH]nnn3;
    OC(=O)c1cccc(c1)c2ccc(cc2)c3[nH]nnn3    		 3-[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]benzoic acid
    27694
    L44
    ZINC000040164614    		 0 C39 H76 O5 InChI=1S/C39H76O5/c1-3-5-
    7-9-11-13-15-16-17-18-19-
    20-21-22-24-26-28-30-32-3
    4-39(42)44-37(35-40)36-43
    -38(41)33-31-29-27-25-23-
    14-12-10-8-6-4-2/h37,40H,
    3-36H2,1-2H3/t37-/m0/s1;
    DINFAYNBAABMIP-QNGWXLTQSA-N    		 CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@@H](CO)COC
    (=O)CCCCCCCCCCCCC; O=C(OC(CO)COC(=O)CCCC
    CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC; CCCCCCC
    CCCCCCCCCCCCCCC(=O)O[CH](CO)COC(=O)CCCCC
    CCCCCCCC; CCCCCCCCCCCCCCCCCCCCCC(=O)OC(C
    O)COC(=O)CCCCCCCCCCCCC    		 (2S)-1-hydroxy-3-(tetradecanoyloxy)propan-2-yl docosanoate
    27695
    L45
    CHEMBL4747940    		 1 C21 H27 N3 O5 S InChI=1S/C21H27N3O5S/c1-4
    -24(5-2)30(28,29)14-10-11
    -17(25)16(12-14)23-21(27)
    20-15-8-6-7-9-18(26)19(15
    )13(3)22-20/h10-12,22,25H
    ,4-9H2,1-3H3,(H,23,27);
    RFIBRDFTONIULJ-UHFFFAOYSA-N    		 CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c
    ([nH]2)C)C(=O)CCCC3)O; CCN(CC)[S](=O)(=O
    )c1ccc(O)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc2
    3)c1    		 ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    27696
    L46
    CHEMBL3785648
    ZINC000048190740    		 2 C11 H16 N2 O2 InChI=1S/C11H16N2O2/c1-5-
    8-9(7(3)14)6(2)13-10(8)11
    (15)12-4/h13H,5H2,1-4H3,(
    H,12,15);
    LCSLEHAEHBSCSA-UHFFFAOYSA-N    		 CCc1c([nH]c(C)c1C(C)=O)C(=O)NC; O=C(c1c(
    c(c(n1)C)C(=O)C)CC)NC; CCc1c(c([nH]c1C(=
    O)NC)C)C(=O)C    		 4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide
    27697
    L47
    DB03996
    ZINC000012504084    		 2 C17 H15 Cl N2 O2 InChI=1S/C17H15ClN2O2/c1-
    11(21)20-17(12-5-4-6-13(2
    2)9-12)10-16(19-20)14-7-2
    -3-8-15(14)18/h2-9,17,22H
    ,10H2,1H3/t17-/m0/s1;
    QBZAPFWYAPXRGQ-KRWDZBQOSA-N    		 CC(=O)N1N=C(C[CH]1c2cccc(O)c2)c3ccccc3Cl
    ; CC(=O)N1N=C(C[C@H]1c2cccc(O)c2)c3ccccc
    3Cl; CC(=O)N1[C@@H](CC(=N1)c2ccccc2Cl)c3
    cccc(c3)O; O=C(N3N=C(c1ccccc1Cl)CC3c2cc(
    O)ccc2)C; CC(=O)N1C(CC(=N1)c2ccccc2Cl)c3
    cccc(c3)O    		 3-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL
    27698
    L49
    ZINC000073198568    		 1 C19 H14 F4 N2 O2 InChI=1S/C19H14F4N2O2/c20
    -16-6-4-13(5-7-16)17(11-2
    5-9-8-24-12-25)27-18(26)1
    4-2-1-3-15(10-14)19(21,22
    )23/h1-10,12,17H,11H2/t17
    -/m1/s1;
    FQDXUJLXGMFAIY-QGZVFWFLSA-N    		 Fc1ccc(cc1)[CH](Cn2ccnc2)OC(=O)c3cccc(c3
    )C(F)(F)F; Fc1ccc(cc1)[C@@H](Cn2ccnc2)OC
    (=O)c3cccc(c3)C(F)(F)F; c1cc(cc(c1)C(F)(
    F)F)C(=O)OC(Cn2ccnc2)c3ccc(cc3)F; c1cc(c
    c(c1)C(F)(F)F)C(=O)O[C@H](Cn2ccnc2)c3ccc
    (cc3)F; FC(F)(F)c1cccc(c1)C(=O)OC(Cn1ccn
    c1)c1ccc(F)cc1    		 (1S)-1-(4-fluorophenyl)-2-(1H-imidazol-1-yl)ethyl 3-(trifluoromethyl)benzoate
    27699
    L4A    		 1 C8 H11 N O5 InChI=1S/C8H11NO5/c10-3-1
    -5-7(8(12)13)9-6(14-5)2-4
    -11/h10-11H,1-4H2,(H,12,1
    3);
    PLUGCRBIUHQSBZ-UHFFFAOYSA-N    		 OCCc1oc(CCO)c(n1)C(O)=O; C(CO)c1c(nc(o1)
    CCO)C(=O)O; c1(oc(c(n1)C(=O)O)CCO)CCO    		 2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid;
    Clavulanic Acid, opened form
    27700
    L4B    		 1 C27 H38 O4 InChI=1S/C27H38O4/c1-24(2
    )9-6-10-25(3)18(24)7-11-2
    6(4)19(25)8-12-27(5)20(26
    )14-15-21(27)16(23(30)31)
    13-17(28)22(15)29/h13,18-
    20,28-29H,6-12,14H2,1-5H3
    ,(H,30,31)/t18-,19+,20-,2
    5-,26+,27-/m1/s1;
    VSODJBVPHOOTEU-OBYLJCASSA-N    		 CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@]3(C)[C@H]
    2CC[C@]4(C)[C@@H]3Cc5c(O)c(O)cc(C(O)=O)c
    45; C[C@@]12CC[C@H]3[C@@]4(CCCC([C@H]4CC
    [C@@]3([C@H]1Cc5c2c(cc(c5O)O)C(=O)O)C)(C
    )C)C; CC1(C)CCC[C]2(C)[CH]1CC[C]3(C)[CH]
    2CC[C]4(C)[CH]3Cc5c(O)c(O)cc(C(O)=O)c45;
    CC1(CCCC2(C1CCC3(C2CCC4(C3Cc5c4c(cc(c5O
    )O)C(=O)O)C)C)C)C    		 (4~{a}~{R},4~{b}~{S},6~{a}~{R},11~{a}~{R},11~{b}~{S},13~{a}~{R})-1,1,4~{a},6~{a},11~{b}-pentamethyl-9,10-bis(oxidanyl)- 3,4,4~{b},5,6,11,11~{a},12,13,13~{a}-decahydro-2~{H}-indeno[2,1-a]phenanthrene-7-carboxylic acid;
    merosterolic acid A
    27701
    L4C
    ZINC000034239656    		 3 C10 H14 N2 O8 InChI=1S/C10H14N2O8/c1-5(
    13)11-7(10(18)19)4-20-12-
    6(9(16)17)2-3-8(14)15/h7H
    ,2-4H2,1H3,(H,11,13)(H,14
    ,15)(H,16,17)(H,18,19)/b1
    2-6+/t7-/m0/s1;
    ULEFFWARYSNNRF-NYYVKIQXSA-N    		 CC(=O)NC(CON=C(CCC(=O)O)C(=O)O)C(=O)O; C
    C(=O)N[CH](CON=C(CCC(O)=O)C(O)=O)C(O)=O;
    O=C(O)\C(=N\OCC(NC(=O)C)C(=O)O)CCC(=O)O
    ; CC(=O)N[C@@H](CO\N=C(/CCC(O)=O)C(O)=O)
    C(O)=O; CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/
    C(=O)O)C(=O)O    		 (2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID;
    LACTIVICIN
    27702
    L4D    		 2 C17 H21 Fe N4 O2 InChI=1S/C17H22N4O2.Fe/c1
    -20(12-15-6-2-4-8-18-15)1
    0-11-21(14-17(22)23)13-16
    -7-3-5-9-19-16;/h2-9H,10-
    14H2,1H3,(H,22,23);/q;+3/
    p-1;
    KEGLXUIHTNIIAB-UHFFFAOYSA-M    		 C[N]12CC[N]34[Fe+2]1([N]5=C(C2)C=CC=C5)(
    [N]6=CC=CC=C6C3)OC(=O)C4; CN12|[Fe++]|3|
    4(OC(=O)CN|3(CC1)Cc5ccccn|45)|n6ccccc6C2
    ; O=C5O[Fe+2]346n1ccccc1CN6(CCN4(Cc2cccc
    n23)C)C5    		 {(S)-N-(2-{methyl[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-N-[(pyridin-2-yl-kappaN)methyl]glycinato-kappa~2~N,O}iron(2+);
    {N,N'-Bis(2-pyridylmethyl)-N-carboxymethyl-N'-methyl}iron(2+)
    27703
    L4E
    ZINC000015117529    		 2 C27 H38 O4 InChI=1S/C27H38O4/c1-19(2
    )9-6-10-20(3)11-7-12-21(4
    )13-8-14-22(5)15-16-23-17
    -24(27(30)31)18-25(28)26(
    23)29/h9,11,13,15,17-18,2
    8-29H,6-8,10,12,14,16H2,1
    -5H3,(H,30,31)/b20-11+,21
    -13+,22-15+;
    BSKXNBAQBKFMLO-FLPKSHQQSA-N    		 CC(=CCCC(=CCCC(=CCCC(=CCc1cc(cc(c1O)O)C(
    =O)O)C)C)C)C; CC(=CCC/C(=C/CC/C(=C/CC/C(
    =C/Cc1cc(cc(c1O)O)C(=O)O)/C)/C)/C)C; CC(
    C)=CCCC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c
    1O)C(O)=O; CC(C)=CCCC(/C)=C/CCC(/C)=C/CC
    \C(C)=C\Cc1cc(cc(O)c1O)C(O)=O    		 geranylgeranyl dihydroxybenzoate
    27704
    L4F    		 1 C41 H49 N7 O6 S InChI=1S/C41H49N7O6S/c42-
    40(43)45-34-20-17-33(18-2
    1-34)39(50)54-28-27-47-23
    -25-48(26-24-47)41(51)46-
    37(30-32-12-6-2-7-13-32)3
    8(49)44-35(19-16-31-10-4-
    1-5-11-31)22-29-55(52,53)
    36-14-8-3-9-15-36/h1-15,1
    7-18,20-21,35,37H,16,19,2
    2-30H2,(H,44,49)(H,46,51)
    (H4,42,43,45)/t35-,37-/m0
    /s1;
    GRAYNEZFLQHYCO-JSXFGMRASA-N    		 c1ccc(cc1)CCC(CCS(=O)(=O)c2ccccc2)NC(=O)
    C(Cc3ccccc3)NC(=O)N4CCN(CC4)CCOC(=O)c5cc
    c(cc5)NC(=N)N; NC(=N)Nc1ccc(cc1)C(=O)OCC
    N2CCN(CC2)C(=O)N[CH](Cc3ccccc3)C(=O)N[CH
    ](CCc4ccccc4)CC[S](=O)(=O)c5ccccc5; [H]/
    N=C(/N)\Nc1ccc(cc1)C(=O)OCCN2CCN(CC2)C(=
    O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCc4ccc
    cc4)CCS(=O)(=O)c5ccccc5; NC(=N)Nc1ccc(cc
    1)C(=O)OCCN2CCN(CC2)C(=O)N[C@@H](Cc3cccc
    c3)C(=O)N[C@@H](CCc4ccccc4)CC[S](=O)(=O)
    c5ccccc5    		 2-[4-[[(2~{S})-1-oxidanylidene-3-phenyl-1-[[(3~{S})-1-phenyl-5-(phenylsulfonyl)pentan-3-yl]amino]propan-2-yl]carbamoyl]piperazin-1-yl]ethyl 4-carbamimidamidobenzoate
    27705
    L4G
    CHEMBL243789
    ZINC000003937997    		 1 C30 H31 N O5 S InChI=1S/C30H31NO5S/c1-37
    (33,34)27-13-5-22(6-14-27
    )28-15-7-23-21-24(32)8-16
    -29(23)30(28)36-26-11-9-2
    5(10-12-26)35-20-19-31-17
    -3-2-4-18-31/h5-16,21,32H
    ,2-4,17-20H2,1H3;
    NJVFOFMHUJJIMB-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(cc1)c5ccc2c(ccc(O)c2)c5Oc4
    ccc(OCCN3CCCCC3)cc4)C; CS(=O)(=O)c1ccc(c
    c1)c2ccc3cc(ccc3c2Oc4ccc(cc4)OCCN5CCCCC5
    )O; C[S](=O)(=O)c1ccc(cc1)c2ccc3cc(O)ccc
    3c2Oc4ccc(OCCN5CCCCC5)cc4    		 6-(4-METHYLSULFONYL-PHENYL)-5-[4-(2-PIPERIDIN-1-YLETHOXY)PHENOXY]NAPHTHALEN-2-OL
    27706
    L4H    		 1 C22 H30 O4 InChI=1S/C22H30O4/c1-15(2
    )7-5-8-16(3)9-6-10-17(4)1
    1-12-18-13-19(22(25)26)14
    -20(23)21(18)24/h7,9,11,1
    3-14,23-24H,5-6,8,10,12H2
    ,1-4H3,(H,25,26)/b16-9+,1
    7-11+;
    VWHKYMBCXCSQEZ-BTMZFSHUSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCc1cc(cc(O)c1O)C(
    O)=O; CC(=CCCC(=CCCC(=CCc1cc(cc(c1O)O)C(
    =O)O)C)C)C; CC(=CCC/C(=C/CC/C(=C/Cc1cc(c
    c(c1O)O)C(=O)O)/C)/C)C; CC(C)=CCC\C(C)=C
    \CCC(/C)=C/Cc1cc(cc(O)c1O)C(O)=O    		 farnesyl dihydroxybenzoate
    27707
    L4I
    ZINC000002560458    		 1 C9 H9 Cl O2 InChI=1S/C9H9ClO2/c10-6-5
    -7-1-3-8(4-2-7)9(11)12/h1
    -4H,5-6H2,(H,11,12);
    OOAPBGPLZAFZSO-UHFFFAOYSA-N    		 ClCCc1ccc(cc1)C(=O)O; c1cc(ccc1CCCl)C(=O
    )O; OC(=O)c1ccc(CCCl)cc1    		 4-(2-chloroethyl)benzoic acid
    27708
    L4J
    CHEMBL385374
    ZINC000014961984    		 3 C34 H52 N4 O4 S InChI=1S/C34H52N4O4S/c1-6
    -8-16-32(34(40)36-23-25(3
    )4)35-24-30-20-27-15-11-1
    4-26(18-27)12-9-10-13-28-
    19-29(33(39)37-30)22-31(2
    1-28)38(17-7-2)43(5,41)42
    /h11,14-15,18-19,21-22,25
    ,30,32,35H,6-10,12-13,16-
    17,20,23-24H2,1-5H3,(H,36
    ,40)(H,37,39)/t30-,32-/m0
    /s1;
    JRTACURQOKVHSE-CDZUIXILSA-N    		 CCCC[C@@H](C(=O)NCC(C)C)NC[C@@H]1Cc2cccc
    (c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=O
    )N1; CCCC[C@H](NC[C@@H]1Cc2cccc(CCCCc3cc
    (cc(c3)C(=O)N1)N(CCC)[S](C)(=O)=O)c2)C(=
    O)NCC(C)C; c32cccc(CC(NC(=O)c1cc(cc(c1)C
    CCC2)N(CCC)S(=O)(C)=O)CNC(C(=O)NCC(C)C)C
    CCC)c3; CCCC[CH](NC[CH]1Cc2cccc(CCCCc3cc
    (cc(c3)C(=O)N1)N(CCC)[S](C)(=O)=O)c2)C(=
    O)NCC(C)C; CCCCC(C(=O)NCC(C)C)NCC1Cc2ccc
    c(c2)CCCCc3cc(cc(c3)N(CCC)S(=O)(=O)C)C(=
    O)N1    		 N-(2-methylpropyl)-N~2~-{[(4S)-17-[(methylsulfonyl)(propyl)amino]-2-oxo-3-azatricyclo[13.3.1.1~6,10~]icosa-1(19),6(20),7,9,15,17-hexaen-4-yl]methyl}-L-norleucinamide
    27709
    L4K
    CHEMBL444536
    ZINC000002464613    		 1 C11 H17 N O2 S InChI=1S/C11H17NO2S/c1-2-
    3-4-5-10-6-8-11(9-7-10)15
    (12,13)14/h6-9H,2-5H2,1H3
    ,(H2,12,13,14);
    XXGOKBCTMIKJHF-UHFFFAOYSA-N    		 CCCCCc1ccc(cc1)[S](N)(=O)=O; CCCCCc1ccc(
    cc1)S(=O)(=O)N    		 4-pentylbenzenesulfonamide
    27710
    L4L    		 1 C13 H21 N O11 S InChI=1S/C13H21NO11S/c1-3
    -8(17)7(14-6(2)16)5-23-13
    -11(19)12(25-26(20,21)22)
    10(18)9(4-15)24-13/h3,7,9
    -13,15,18-19H,1,4-5H2,2H3
    ,(H,14,16)(H,20,21,22)/t7
    -,9+,10-,11+,12-,13+/m0/s
    1;
    XMURRHZYXOXPBZ-FJUAUIJYSA-N    		 CC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](
    O[S](O)(=O)=O)[CH]1O)C(=O)C=C; CC(=O)N[C
    @@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[
    S](O)(=O)=O)[C@H]1O)C(=O)C=C; CC(=O)NC(C
    OC1C(C(C(C(O1)CO)O)OS(=O)(=O)O)O)C(=O)C=
    C; CC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C
    @H]([C@H](O1)CO)O)OS(=O)(=O)O)O)C(=O)C=C    		 [(2~{R},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S})-2-acetamido-3-oxidanylidene-pent-4-enoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate
    27711
    L4M    		 8 C15 H18 O4 InChI=1S/C15H18O4/c16-14(
    17)9-13-3-1-2-12(13)8-10-
    4-6-11(7-5-10)15(18)19/h4
    -7,12-13H,1-3,8-9H2,(H,16
    ,17)(H,18,19)/t12-,13-/m0
    /s1;
    MXTHRYIVPLVGFC-STQMWFEESA-N    		 C1(CCCC1CC(O)=O)Cc2ccc(cc2)C(O)=O; OC(=O
    )C[CH]1CCC[CH]1Cc2ccc(cc2)C(O)=O; c1cc(c
    cc1C[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O; OC(=
    O)C[C@@H]1CCC[C@H]1Cc2ccc(cc2)C(O)=O; c1
    cc(ccc1CC2CCCC2CC(=O)O)C(=O)O    		 4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}benzoic acid
    27712
    L4N    		 1 C14 H18 N2 O InChI=1S/C14H18N2O/c1-10-
    3-7-15-9-12(10)16-13(17)1
    1-2-4-14(8-11)5-6-14/h3,7
    ,9,11H,2,4-6,8H2,1H3,(H,1
    6,17)/t11-/m1/s1;
    FNCISWRYQRGLKF-LLVKDONJSA-N    		 Cc1ccncc1NC(=O)[CH]2CCC3(CC3)C2; O=C(Nc1
    cnccc1C)C1CCC2(CC2)C1; Cc1ccncc1NC(=O)[C
    @@H]2CCC3(C2)CC3; Cc1ccncc1NC(=O)[C@@H]2
    CCC3(CC3)C2; Cc1ccncc1NC(=O)C2CCC3(C2)CC
    3    		 (5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide
    27713
    L4O
    ZINC000000403198    		 2 C10 H18 N2 O2 InChI=1S/C10H18N2O2/c1-10
    (2,3)14-9(13)12-6-7-4-8(1
    2)5-11-7/h7-8,11H,4-6H2,1
    -3H3/t7-,8-/m0/s1;
    UXAWXZDXVOYLII-YUMQZZPRSA-N    		 CC(C)(C)OC(=O)N1CC2CC1CN2; CC(C)(C)OC(=O
    )N1C[CH]2C[CH]1CN2; CC(C)(C)OC(=O)N1C[C@
    @H]2C[C@H]1CN2    		 tert-butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate
    27714
    L4P    		 0 C46 H95 O8 P InChI=1S/C46H95O8P/c1-37(
    2)17-11-19-39(5)21-13-23-
    41(7)25-15-27-43(9)29-31-
    51-35-46(36-54-55(49,50)5
    3-34-45(48)33-47)52-32-30
    -44(10)28-16-26-42(8)24-1
    4-22-40(6)20-12-18-38(3)4
    /h37-48H,11-36H2,1-10H3,(
    H,49,50)/t39-,40?,41-,42?
    ,43-,44-,45-,46+/m1/s1;
    AFYVWQWWQKSZEV-WGOBCRBGSA-N    		 CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C
    )CCOC[C@@H](CO[P@@](O)(=O)OC[C@H](O)CO)O
    CC[C@H](C)CCCC(C)CCCC(C)CCCC(C)C; CC(C)C
    CC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[
    C@@H](CO[P@](=O)(O)OC[C@@H](CO)O)OCC[C@H
    ](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C; CC(C
    )CCC[CH](C)CCC[CH](C)CCC[CH](C)CCOC[CH](
    CO[P](O)(=O)OC[CH](O)CO)OCC[CH](C)CCCC(C
    )CCCC(C)CCCC(C)C; O=P(O)(OCC(O)CO)OCC(OC
    CC(CCCC(C)CCCC(C)CCCC(C)C)C)COCCC(C)CCCC
    (C)CCCC(C)CCCC(C)C; CC(C)CCCC(C)CCCC(C)C
    CCC(C)CCOCC(COP(=O)(O)OCC(CO)O)OCCC(C)CC
    CC(C)CCCC(C)CCCC(C)C    		 3-[GLYCEROLYLPHOSPHONYL]-[1,2-DI-PHYTANYL]GLYCEROL;
    2,3-DI-O-PHYTANLY-3-SN-GLYCERO-1-PHOSPHORYL-3'-SN-GLYCEROL
    27715
    L4Q    		 1 C12 H19 N O2 S InChI=1S/C12H19NO2S/c1-2-
    3-4-5-6-11-7-9-12(10-8-11
    )16(13,14)15/h7-10H,2-6H2
    ,1H3,(H2,13,14,15);
    QGCVBPONRAFDHS-UHFFFAOYSA-N    		 CCCCCCc1ccc(cc1)S(=O)(=O)N; CCCCCCc1ccc(
    cc1)[S](N)(=O)=O    		 4-hexylbenzenesulfonamide
    27716
    L4R
    ZINC000095949883    		 0 C11 H21 N O2 InChI=1S/C11H21NO2/c1-3-4
    -5-6-7-8-9-11(2,12)10(13)
    14/h3H,1,4-9,12H2,2H3,(H,
    13,14)/t11-/m1/s1;
    JWZFECWHKQLRGK-LLVKDONJSA-N    		 C[C@@](CCCCCCC=C)(C(=O)O)N; C[C](N)(CCCC
    CCC=C)C(O)=O; CC(CCCCCCC=C)(C(=O)O)N; C[
    C@@](N)(CCCCCCC=C)C(O)=O    		 Fmoc-(R)-2-(7-octenyl)alanine
    27717
    L4S    		 1 C25 H29 N7 O6 InChI=1S/C25H29N7O6/c26-2
    0-8-9-32(25(37)27-20)23-1
    1-18(34)19(38-23)12-31-13
    -21(29-30-31)28-22(35)10-
    14-4-3-6-15(14)24(36)16-5
    -1-2-7-17(16)33/h1-2,5,7-
    9,13-15,18-19,23,33-34H,3
    -4,6,10-12H2,(H,28,35)(H2
    ,26,27,37)/t14-,15+,18-,1
    9+,23+/m0/s1;
    QYQWONZWXIVWAC-CBSYKJJGSA-N    		 NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](C
    n3cc(NC(=O)C[C@@H]4CCC[C@H]4C(=O)c5ccccc
    5O)nn3)O2; C(=O)(Nc3nnn(CC2C(CC(N1C=CC(N
    )=NC1=O)O2)O)c3)CC5CCCC5C(c4ccccc4O)=O;
    c1ccc(c(c1)C(=O)C2CCCC2CC(=O)Nc3cn(nn3)C
    C4C(CC(O4)N5C=CC(=NC5=O)N)O)O; NC1=NC(=O
    )N(C=C1)[CH]2C[CH](O)[CH](Cn3cc(NC(=O)C[
    CH]4CCC[CH]4C(=O)c5ccccc5O)nn3)O2; c1ccc
    (c(c1)C(=O)[C@@H]2CCC[C@H]2CC(=O)Nc3cn(n
    n3)C[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=
    O)N)O)O    		 2',5'-dideoxy-5'-[4-({[(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetyl}amino)-1H-1,2,3-triazol-1-yl]cytidine
    27718
    L4T
    CHEMBL1241348
    DB11808
    ZINC000150339145    		 2 C40 H49 Br N6 O9 S InChI=1S/C40H49BrN6O9S/c1
    -8-21-17-40(21,36(51)52)4
    6-34(49)27-15-23(18-47(27
    )35(50)32(39(4,5)6)44-38(
    53)56-22-11-9-10-12-22)55
    -29-16-25(26-19-57-37(43-
    26)45-33(48)20(2)3)42-31-
    24(29)13-14-28(54-7)30(31
    )41/h8,13-14,16,19-23,27,
    32H,1,9-12,15,17-18H2,2-7
    H3,(H,44,53)(H,46,49)(H,5
    1,52)(H,43,45,48)/t21-,23
    -,27+,32-,40-/m1/s1;
    LLGDPTDZOVKFDU-XUHJSTDZSA-N    		 CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n2)Br
    )OC)O[C@@H]4C[C@H](N(C4)C(=O)[C@H](C(C)(
    C)C)NC(=O)OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C
    =C)C(=O)O; O=C(Nc6nc(c4nc5c(c(OC3CC(C(=O
    )NC1(C(=O)O)CC1/C=C)N(C(=O)C(NC(=O)OC2CC
    CC2)C(C)(C)C)C3)c4)ccc(OC)c5Br)cs6)C(C)C
    ; COc1ccc2c(O[CH]3C[CH](N(C3)C(=O)[CH](N
    C(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5(C[CH]5
    C=C)C(O)=O)cc(nc2c1Br)c6csc(NC(=O)C(C)C)
    n6; CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c(c3n
    2)Br)OC)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O
    )OC5CCCC5)C(=O)NC6(CC6C=C)C(=O)O; COc1cc
    c2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=
    O)OC4CCCC4)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5
    C=C)C(O)=O)cc(nc2c1Br)c6csc(NC(=O)C(C)C)
    n6    		 N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-4-[(8-bromo-7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-L-prolinamide
    27719
    L4U    		 1 C13 H20 N2 O InChI=1S/C13H20N2O/c1-9(2
    )11(4)7-13(16)15-12-8-14-
    6-5-10(12)3/h5-6,8-9,11H,
    7H2,1-4H3,(H,15,16)/t11-/
    m0/s1;
    PPQIRWKGFHIKDH-NSHDSACASA-N    		 O=C(Nc1cnccc1C)CC(C)C(C)C; CC(C)[CH](C)C
    C(=O)Nc1cnccc1C; Cc1ccncc1NC(=O)C[C@H](C
    )C(C)C; CC(C)[C@@H](C)CC(=O)Nc1cnccc1C;
    Cc1ccncc1NC(=O)CC(C)C(C)C    		 (3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide
    27720
    L4V
    ZINC000095921418    		 1 C18 H22 Cl N O4 InChI=1S/C18H22ClNO4/c1-2
    0-9-7-5-3-2-4-6-8-12(21)1
    0-13-16(18(20)24)14(22)11
    -15(23)17(13)19/h2-3,11,2
    2-23H,4-10H2,1H3/b3-2-;
    XARNDFBZFLICCU-IHWYPQMZSA-N    		 CN1CCC\C=C/CCCC(=O)Cc2c(Cl)c(O)cc(O)c2C1
    =O; O=C2c1c(O)cc(O)c(Cl)c1CC(=O)CCCC=CCC
    CN2C; CN1CCCC=CCCCC(=O)Cc2c(Cl)c(O)cc(O)
    c2C1=O; CN1CCC/C=C\CCCC(=O)Cc2c(c(cc(c2C
    l)O)O)C1=O; CN1CCCC=CCCCC(=O)Cc2c(c(cc(c
    2Cl)O)O)C1=O    		 13-Chloro-14,16-dihydroxy-2-methyl-2,3,4,5,9,10-hexahydrobenz[c][1]azacyclotetradecine-1,11(8H,12H)-dione
    27721
    L4W
    ZINC000036533128    		 2 C11 H17 N O3 S InChI=1S/C11H17NO3S/c1-2-
    3-4-9-15-10-5-7-11(8-6-10
    )16(12,13)14/h5-8H,2-4,9H
    2,1H3,(H2,12,13,14);
    JFSAJYVAWXIPQG-UHFFFAOYSA-N    		 CCCCCOc1ccc(cc1)S(=O)(=O)N; CCCCCOc1ccc(
    cc1)[S](N)(=O)=O    		 4-pentoxybenzenesulfonamide
    27722
    L4X
    CHEMBL5191076    		 1 C31 H36 N4 O3 InChI=1S/C31H36N4O3/c1-23
    -16-18-25(19-17-23)20-28(
    30(37)32-2)35-31(38)27(15
    -9-14-24-10-5-3-6-11-24)3
    4-29(36)22-33-21-26-12-7-
    4-8-13-26/h3-14,16-19,27-
    28,33H,15,20-22H2,1-2H3,(
    H,32,37)(H,34,36)(H,35,38
    )/b14-9+/t27-,28+/m1/s1;
    RVVSAVHSOSLVLN-CFHHOXAGSA-N    		 Cc1ccc(cc1)C[C@@H](C(=O)NC)NC(=O)[C@@H](
    C/C=C/c2ccccc2)NC(=O)CNCc3ccccc3; CNC(=O
    )[CH](Cc1ccc(C)cc1)NC(=O)[CH](CC=Cc2cccc
    c2)NC(=O)CNCc3ccccc3; CNC(=O)[C@H](Cc1cc
    c(C)cc1)NC(=O)[C@@H](C/C=C/c2ccccc2)NC(=
    O)CNCc3ccccc3; Cc1ccc(cc1)CC(C(=O)NC)NC(
    =O)C(CC=Cc2ccccc2)NC(=O)CNCc3ccccc3; CNC
    (=O)C(Cc1ccc(C)cc1)NC(=O)C(C/C=C/c1ccccc
    1)NC(=O)CNCc1ccccc1    		 Nalpha-{(2R,4E)-2-[(N-benzylglycyl)amino]-5-phenylpent-4-enoyl}-N,4-dimethyl-L-phenylalaninamide
    27723
    L4Y
    CHEMBL4788837    		 2 C19 H22 N4 O3 InChI=1S/C19H22N4O3/c1-11
    -7-8-13-12(9-11)17(22-21-
    13)18(24)20-14-10-26-16-6
    -4-3-5-15(16)23(2)19(14)2
    5/h3-6,11,14H,7-10H2,1-2H
    3,(H,20,24)(H,21,22)/t11-
    ,14+/m1/s1;
    LOTYATKNTZKNHI-RISCZKNCSA-N    		 C[CH]1CCc2n[nH]c(C(=O)N[CH]3COc4ccccc4N(
    C)C3=O)c2C1; C[C@@H]1CCc2n[nH]c(C(=O)N[C
    @H]3COc4ccccc4N(C)C3=O)c2C1; CC1CCc2c(c(
    [nH]n2)C(=O)NC3COc4ccccc4N(C3=O)C)C1; C4
    c3c(c(C(=O)NC1C(N(c2c(OC1)cccc2)C)=O)nn3
    )CC(C4)C; C[C@@H]1CCc2c(c([nH]n2)C(=O)N[
    C@H]3COc4ccccc4N(C3=O)C)C1    		 (5R)-5-methyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
    27724
    L4Z    		 1 C7 H11 N3 O2 InChI=1S/C7H11N3O2/c1-5-3
    -6(10(2)9-5)4-8-7(11)12/h
    3,8H,4H2,1-2H3,(H,11,12);
    GIQHHEQBVBVTAS-UHFFFAOYSA-N    		 Cc1cc(n(n1)C)CNC(=O)O; Cn1nc(C)cc1CNC(O)
    =O    		 (2,5-dimethylpyrazol-3-yl)methylcarbamic acid
    27725
    L50
    ZINC000584905593    		 2 C15 H24 N O5 P InChI=1S/C15H24NO5P/c1-12
    -6-8-13(9-7-12)4-3-5-14(1
    1-22(19,20)21)10-15(17)16
    (2)18/h6-9,14,18H,3-5,10-
    11H2,1-2H3,(H2,19,20,21)/
    t14-/m1/s1;
    PCPXBXKPZNRAMA-CQSZACIVSA-N    		 CN(O)C(=O)C[C@@H](CCCc1ccc(C)cc1)C[P](O)
    (O)=O; O=P(O)(O)CC(CC(=O)N(C)O)CCCc1ccc(
    cc1)C; Cc1ccc(cc1)CCC[C@H](CC(=O)N(C)O)C
    P(=O)(O)O; CN(O)C(=O)C[CH](CCCc1ccc(C)cc
    1)C[P](O)(O)=O; Cc1ccc(cc1)CCCC(CC(=O)N(
    C)O)CP(=O)(O)O    		 [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(4-methylphenyl)pentyl]phosphonic acid
    27726
    L51
    CHEMBL570427
    ZINC000045259200    		 2 C30 H31 N7 O InChI=1S/C30H31N7O/c1-19-
    8-11-23(12-9-19)37-28(18-
    27(36-37)30(2,3)4)35-29(3
    8)34-22-7-5-6-21(17-22)33
    -26-14-15-32-25-13-10-20(
    31)16-24(25)26/h5-18H,31H
    2,1-4H3,(H,32,33)(H2,34,3
    5,38);
    VOLXCNVOKHMTKN-UHFFFAOYSA-N    		 O=C(Nc3cccc(Nc1c2cc(N)ccc2ncc1)c3)Nc5cc(
    nn5c4ccc(cc4)C)C(C)(C)C; Cc1ccc(cc1)n2c(
    cc(n2)C(C)(C)C)NC(=O)Nc3cccc(c3)Nc4ccnc5
    c4cc(cc5)N; Cc1ccc(cc1)n2nc(cc2NC(=O)Nc3
    cccc(Nc4ccnc5ccc(N)cc45)c3)C(C)(C)C    		 1-{3-[(6-aminoquinolin-4-yl)amino]phenyl}-3-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea
    27727
    L52
    ZINC000003818660    		 4 C20 H17 N3 O3 InChI=1S/C20H17N3O3/c21-1
    4-18(20(25)23-26)22-19(24
    )17-12-10-16(11-13-17)9-5
    -4-8-15-6-2-1-3-7-15/h1-3
    ,6-7,10-13,18,26H,14,21H2
    ,(H,22,24)(H,23,25)/t18-/
    m0/s1;
    RMTUQHBOIGEBSC-SFHVURJKSA-N    		 NC[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2ccccc2)C
    (=O)NO; O=C(NC(C(=O)NO)CN)c2ccc(C#CC#Cc1
    ccccc1)cc2; c1ccc(cc1)C#CC#Cc2ccc(cc2)C(
    =O)N[C@@H](CN)C(=O)NO; NC[CH](NC(=O)c1cc
    c(cc1)C#CC#Cc2ccccc2)C(=O)NO; c1ccc(cc1)
    C#CC#Cc2ccc(cc2)C(=O)NC(CN)C(=O)NO    		 N-[(2S)-3-amino-1-(hydroxyamino)-1-oxopropan-2-yl]-4-(4-phenylbuta-1,3-diyn-1-yl)benzamide
    27728
    L53
    ZINC000064746693    		 1 C21 H17 N3 O4 InChI=1S/C21H17N3O4/c1-14
    (25)19(21(27)24-28)23-20(
    26)17-10-6-15(7-11-17)4-2
    -3-5-16-8-12-18(22)13-9-1
    6/h6-14,19,25H,22H2,1H3,(
    H,23,26)/t14-,19-/m0/s1;
    DRMPSCRMGWDCMO-LIRRHRJNSA-N    		 C[C@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2c
    cc(N)cc2)C(=O)N=O; C[CH](O)[CH](NC(=O)c1
    ccc(cc1)C#CC#Cc2ccc(N)cc2)C(=O)N=O; CC(C
    (C(=O)N=O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc
    2)N)O; O=NC(=O)C(NC(=O)c2ccc(C#CC#Cc1ccc
    (N)cc1)cc2)C(O)C; C[C@@H]([C@@H](C(=O)N=
    O)NC(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O    		 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3S)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide
    27729
    L54
    ZINC000584905594    		 2 C15 H21 F3 N O5 P InChI=1S/C15H21F3NO5P/c1-
    19(21)14(20)9-12(10-25(22
    ,23)24)4-2-3-11-5-7-13(8-
    6-11)15(16,17)18/h5-8,12,
    21H,2-4,9-10H2,1H3,(H2,22
    ,23,24)/t12-/m1/s1;
    QJHOMBPUEUGKSC-GFCCVEGCSA-N    		 CN(C(=O)CC(CCCc1ccc(cc1)C(F)(F)F)CP(=O)(
    O)O)O; CN(O)C(=O)C[CH](CCCc1ccc(cc1)C(F)
    (F)F)C[P](O)(O)=O; CN(C(=O)C[C@@H](CCCc1
    ccc(cc1)C(F)(F)F)CP(=O)(O)O)O; CN(O)C(=O
    )C[C@@H](CCCc1ccc(cc1)C(F)(F)F)C[P](O)(O
    )=O; O=C(CC(CP(O)(O)=O)CCCc1ccc(cc1)C(F)
    (F)F)N(O)C    		 {(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-[4-(trifluoromethyl)phenyl]pentyl}phosphonic acid
    27730
    L55
    CHEMBL4159477    		 1 C26 H26 N6 O3 S InChI=1S/C26H26N6O3S/c1-1
    7-10-18(2)29-26(28-17)36-
    16-24(33)30-21-7-4-6-19(1
    1-21)15-35-23-9-5-8-22(12
    -23)31-25(34)20-13-27-32(
    3)14-20/h4-14H,15-16H2,1-
    3H3,(H,30,33)(H,31,34);
    SLKIFBBCZNLTHR-UHFFFAOYSA-N    		 Cc1cc(nc(n1)SCC(=O)Nc2cccc(c2)COc3cccc(c
    3)NC(=O)c4cnn(c4)C)C; Cn1cc(cn1)C(=O)Nc2
    cccc(OCc3cccc(NC(=O)CSc4nc(C)cc(C)n4)c3)
    c2    		 N-[3-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide
    27731
    L56
    ZINC000584905591    		 2 C15 H24 N O5 P InChI=1S/C15H24NO5P/c1-12
    -5-3-6-13(9-12)7-4-8-14(1
    1-22(19,20)21)10-15(17)16
    (2)18/h3,5-6,9,14,18H,4,7
    -8,10-11H2,1-2H3,(H2,19,2
    0,21)/t14-/m1/s1;
    LKGTWQXFDFYGBW-CQSZACIVSA-N    		 CN(O)C(=O)C[CH](CCCc1cccc(C)c1)C[P](O)(O
    )=O; O=P(O)(O)CC(CC(=O)N(C)O)CCCc1cc(ccc
    1)C; Cc1cccc(c1)CCCC(CC(=O)N(C)O)CP(=O)(
    O)O; Cc1cccc(c1)CCC[C@H](CC(=O)N(C)O)CP(
    =O)(O)O; CN(O)C(=O)C[C@@H](CCCc1cccc(C)c
    1)C[P](O)(O)=O    		 [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-(3-methylphenyl)pentyl]phosphonic acid
    27732
    L57
    ZINC000584905592    		 2 C15 H11 Cl2 N O3 InChI=1S/C15H11Cl2NO3/c16
    -12-7-6-11(8-13(12)17)15(
    18-21-9-14(19)20)10-4-2-1
    -3-5-10/h1-8H,9H2,(H,19,2
    0)/b18-15-;
    MCSPXNMZLCEQOD-SDXDJHTJSA-N    		 OC(=O)CON=C(c1ccccc1)c2ccc(Cl)c(Cl)c2; O
    C(=O)CO\N=C(c1ccccc1)/c2ccc(Cl)c(Cl)c2;
    Clc2c(cc(/C(c1ccccc1)=N\OCC(O)=O)cc2)Cl;
    c1ccc(cc1)C(=NOCC(=O)O)c2ccc(c(c2)Cl)Cl
    ; c1ccc(cc1)/C(=N/OCC(=O)O)/c2ccc(c(c2)C
    l)Cl    		 ({(Z)-[(3,4-dichlorophenyl)(phenyl)methylidene]amino}oxy)acetic acid
    27733
    L58
    ZINC000003818667    		 4 C17 H17 Br N2 O4 InChI=1S/C17H17BrN2O4/c1-
    10(21)15(17(23)20-24)19-1
    6(22)13-4-2-11(3-5-13)12-
    6-8-14(18)9-7-12/h2-10,15
    ,21,24H,1H3,(H,19,22)(H,2
    0,23)/t10-,15+/m1/s1;
    OEJYZUMESQZYFQ-BMIGLBTASA-N    		 C[C@H]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)c2
    ccc(cc2)Br)O; C[C@@H](O)[C@H](NC(=O)c1cc
    c(cc1)c2ccc(Br)cc2)C(=O)NO; Brc2ccc(c1cc
    c(C(=O)NC(C(=O)NO)C(O)C)cc1)cc2; C[CH](O
    )[CH](NC(=O)c1ccc(cc1)c2ccc(Br)cc2)C(=O)
    NO; CC(C(C(=O)NO)NC(=O)c1ccc(cc1)c2ccc(c
    c2)Br)O    		 4'-bromo-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide
    27734
    L59
    ZINC000003818659    		 4 C19 H18 N2 O4 InChI=1S/C19H18N2O4/c1-13
    (22)17(19(24)21-25)20-18(
    23)16-11-9-15(10-12-16)8-
    7-14-5-3-2-4-6-14/h2-6,9-
    13,17,22,25H,1H3,(H,20,23
    )(H,21,24)/t13-,17+/m1/s1;
    SFYISUPIFOZKLQ-DYVFJYSZSA-N    		 CC(C(C(=O)NO)NC(=O)c1ccc(cc1)C#Cc2ccccc2
    )O; C[CH](O)[CH](NC(=O)c1ccc(cc1)C#Cc2cc
    ccc2)C(=O)NO; O=C(NC(C(=O)NO)C(O)C)c2ccc
    (C#Cc1ccccc1)cc2; C[C@H]([C@@H](C(=O)NO)
    NC(=O)c1ccc(cc1)C#Cc2ccccc2)O; C[C@@H](O
    )[C@H](NC(=O)c1ccc(cc1)C#Cc2ccccc2)C(=O)
    NO    		 N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]-4-(phenylethynyl)benzamide
    27735
    L5A    		 8 C16 H20 O4 InChI=1S/C16H20O4/c17-15(
    18)9-12-6-4-11(5-7-12)8-1
    3-2-1-3-14(13)10-16(19)20
    /h4-7,13-14H,1-3,8-10H2,(
    H,17,18)(H,19,20)/t13-,14
    -/m0/s1;
    QKXFMUHRVZWRPO-KBPBESRZSA-N    		 OC(=O)C[C@@H]1CCC[C@H]1Cc2ccc(CC(O)=O)cc
    2; c1cc(ccc1C[C@@H]2CCC[C@H]2CC(=O)O)CC(
    =O)O; C1(C(CC(O)=O)CCC1)Cc2ccc(cc2)CC(O)
    =O; OC(=O)C[CH]1CCC[CH]1Cc2ccc(CC(O)=O)c
    c2; c1cc(ccc1CC2CCCC2CC(=O)O)CC(=O)O    		 (4-{[(1S,2S)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid
    27736
    L5B
    CHEMBL4475463    		 2 C31 H30 Cl2 F N O3 InChI=1S/C31H30Cl2FNO3/c3
    2-23-8-12-27(29(33)18-23)
    28-4-1-3-21-17-22(31(36)3
    7)7-11-26(21)30(28)20-5-9
    -24(10-6-20)38-25-13-16-3
    5(19-25)15-2-14-34/h5-12,
    17-18,25H,1-4,13-16,19H2,
    (H,36,37)/t25-/m0/s1;
    KISZAGQTIXIVAR-VWLOTQADSA-N    		 c1cc(ccc1C2=C(CCCc3c2ccc(c3)C(=O)O)c4ccc
    (cc4Cl)Cl)OC5CCN(C5)CCCF; OC(=O)c1ccc2c(
    CCCC(=C2c3ccc(O[CH]4CCN(CCCF)C4)cc3)c5cc
    c(Cl)cc5Cl)c1; c1cc(ccc1C2=C(CCCc3c2ccc(
    c3)C(=O)O)c4ccc(cc4Cl)Cl)O[C@H]5CCN(C5)C
    CCF; OC(=O)c1ccc2c(CCCC(=C2c3ccc(O[C@H]4
    CCN(CCCF)C4)cc3)c5ccc(Cl)cc5Cl)c1    		 6-(2,4-dichlorophenyl)-5-[4-[(3~{S})-1-(3-fluoranylpropyl)pyrrolidin-3-yl]oxyphenyl]-8,9-dihydro-7~{H}-benzo[7]annulene-2-carboxylic acid
    27737
    L5C
    CHEMBL4170094    		 1 C26 H26 N6 O3 S InChI=1S/C26H26N6O3S/c1-1
    7-11-18(2)29-26(28-17)36-
    16-24(33)30-22-6-4-5-19(1
    2-22)15-35-23-9-7-21(8-10
    -23)31-25(34)20-13-27-32(
    3)14-20/h4-14H,15-16H2,1-
    3H3,(H,30,33)(H,31,34);
    NPUWKDPBMLZNJM-UHFFFAOYSA-N    		 Cn1cc(cn1)C(=O)Nc2ccc(OCc3cccc(NC(=O)CSc
    4nc(C)cc(C)n4)c3)cc2; Cc1cc(nc(n1)SCC(=O
    )Nc2cccc(c2)COc3ccc(cc3)NC(=O)c4cnn(c4)C
    )C    		 N-[4-[[3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethanoylamino]phenyl]methoxy]phenyl]-1-methyl-pyrazole-4-carboxamide
    27738
    L5D
    CHEMBL4170450
    ZINC000000193228    		 4 C14 H12 O2 InChI=1S/C14H12O2/c1-10-4
    -2-5-11(8-10)12-6-3-7-13(
    9-12)14(15)16/h2-9H,1H3,(
    H,15,16);
    BJVLFJADOVATRU-UHFFFAOYSA-N    		 Cc1cccc(c1)c2cccc(c2)C(O)=O; Cc1cccc(c1)
    c2cccc(c2)C(=O)O    		 3-(3-methylphenyl)benzoic acid
    27739
    L5E    		 1 C11 H14 Br2 N O2 InChI=1S/C11H13Br2NO2/c12
    -8-2-3-9(13)7-5-11(15,16)
    10(14)4-1-6(7)8/h2-3,10,1
    5-16H,1,4-5,14H2/p+1/t10-
    /m0/s1;
    JKSZJUHJLDPZJQ-JTQLQIEISA-O    		 c1cc(c2c(c1Br)CCC(C(C2)(O)O)[NH3+])Br; [
    NH3+][CH]1CCc2c(Br)ccc(Br)c2CC1(O)O; c1c
    c(c2c(c1Br)CC[C@@H](C(C2)(O)O)[NH3+])Br;
    [NH3+][C@H]1CCc2c(Br)ccc(Br)c2CC1(O)O    		 [(7~{S})-1,4-bis(bromanyl)-6,6-bis(oxidanyl)-5,7,8,9-tetrahydrobenzo[7]annulen-7-yl]azanium
    27740
    L5F    		 1 C30 H32 N4 O7 S InChI=1S/C30H32N4O7S/c1-1
    8-4-5-21-15-25(18)20(3)34
    -17-22-14-23(6-9-28(22)41
    -42(34,37)38)40-13-12-39-
    11-10-33-27-8-7-24(26(21)
    16-29(35)36)19(2)30(27)31
    -32-33/h4-9,14-15,20,26H,
    10-13,16-17H2,1-3H3,(H,35
    ,36)/t20-,26+/m1/s1;
    CAHCZMVBPKUGCY-IBVKSMDESA-N    		 C[CH]1[N]2Cc3cc(OCCOCCn4nnc5c(C)c(ccc45)
    [CH](CC(O)=O)c6ccc(C)c1c6)ccc3O[S]2(=O)=
    O; C[C@H]1[N@@]2Cc3cc(OCCOCCn4nnc5c(C)c(
    ccc45)[C@@H](CC(O)=O)c6ccc(C)c1c6)ccc3O[
    S]2(=O)=O; Cc1ccc2cc1[C@H]([N@@]3Cc4cc(c
    cc4OS3(=O)=O)OCCOCCn5c6ccc(c(c6nn5)C)[C@
    H]2CC(=O)O)C; Cc1ccc2cc1C(N3Cc4cc(ccc4OS
    3(=O)=O)OCCOCCn5c6ccc(c(c6nn5)C)C2CC(=O)
    O)C    		 2-[(1S,2R,8S)-2,4,32-trimethyl-28,28-bis(oxidanylidene)-19,22,27-trioxa-28$l^{6}-thia-1,14,15,16-tetrazahexacyclo[21.5.3.1^{3,7}.1^{9,13}.0^{12,16}.0^{26,30}]tritriaconta-3(33),4,6,9(32),10,12,14,23,25,30-decaen-8-yl]ethanoic acid
    27741
    L5G
    CHEMBL496102
    DB08079
    ZINC000034285235    		 1 C22 H17 N5 O2 InChI=1S/C22H17N5O2/c1-28
    -16-7-8-17-19(13-16)23-12
    -11-20(17)29-14-22-25-24-
    21-10-9-18(26-27(21)22)15
    -5-3-2-4-6-15/h2-13H,14H2
    ,1H3;
    HEAIZQNMNCHNFD-UHFFFAOYSA-N    		 n1c(ccc2nnc(n12)COc3c4ccc(OC)cc4ncc3)c5c
    cccc5; COc1ccc2c(ccnc2c1)OCc3nnc4n3nc(cc
    4)c5ccccc5; COc1ccc2c(OCc3nnc4ccc(nn34)c
    5ccccc5)ccnc2c1    		 7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
    27742
    L5H    		 1 C19 H12 F3 N5 O3 InChI=1S/C19H12F3N5O3/c20
    -19(21,22)12-8-13-15(9-14
    (12)26-7-6-23-10-26)27(18
    (30)17(29)24-13)25-16(28)
    11-4-2-1-3-5-11/h1-10H,(H
    ,24,29)(H,25,28);
    IOLCYQPDALFXJR-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)C
    (F)(F)F)n4ccnc4; FC(F)(F)c1cc2NC(=O)C(=O
    )N(NC(=O)c3ccccc3)c2cc1n4ccnc4    		 ~{N}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]benzamide
    27743
    L5I    		 1 C13 H18 N2 O InChI=1S/C13H18N2O/c1-9-5
    -6-14-8-12(9)15-13(16)10(
    2)7-11-3-4-11/h5-6,8,10-1
    1H,3-4,7H2,1-2H3,(H,15,16
    )/t10-/m1/s1;
    SRXLGHBNKKQZHE-SNVBAGLBSA-N    		 Cc1ccncc1NC(=O)C(C)CC2CC2; O=C(Nc1cnccc1
    C)C(C)CC1CC1; Cc1ccncc1NC(=O)[C@H](C)CC2
    CC2; C[C@H](CC1CC1)C(=O)Nc2cnccc2C; C[CH
    ](CC1CC1)C(=O)Nc2cnccc2C    		 (2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide
    27744
    L5J    		 4 C16 H20 O4 InChI=1S/C16H20O4/c17-15(
    18)9-12-6-4-11(5-7-12)8-1
    3-2-1-3-14(13)10-16(19)20
    /h4-7,13-14H,1-3,8-10H2,(
    H,17,18)(H,19,20)/t13-,14
    -/m1/s1;
    QKXFMUHRVZWRPO-ZIAGYGMSSA-N    		 C1(C(CC(O)=O)CCC1)Cc2ccc(cc2)CC(O)=O; OC
    (=O)C[CH]1CCC[CH]1Cc2ccc(CC(O)=O)cc2; c1
    cc(ccc1CC2CCCC2CC(=O)O)CC(=O)O; OC(=O)C[
    C@H]1CCC[C@@H]1Cc2ccc(CC(O)=O)cc2; c1cc(
    ccc1C[C@H]2CCC[C@@H]2CC(=O)O)CC(=O)O    		 (4-{[(1R,2R)-2-(carboxymethyl)cyclopentyl]methyl}phenyl)acetic acid
    27745
    L5K    		 16 C22 H17 N3 O7 S InChI=1S/C22H17N3O7S/c26-
    21(22(27)8-9-22)23-13-2-1
    -3-14(10-13)24-33(30,31)1
    6-5-7-19-18(12-16)17-6-4-
    15(25(28)29)11-20(17)32-1
    9/h1-7,10-12,24,27H,8-9H2
    ,(H,23,26);
    FIPNFNFASWRACL-UHFFFAOYSA-N    		 c1cc(cc(c1)NS(=O)(=O)c2ccc3c(c2)c4ccc(cc
    4o3)[N+](=O)[O-])NC(=O)C5(CC5)O; OC1(CC1
    )C(=O)Nc2cccc(N[S](=O)(=O)c3ccc4oc5cc(cc
    c5c4c3)[N+]([O-])=O)c2    		 ~{N}-[3-[(7-nitrodibenzofuran-2-yl)sulfonylamino]phenyl]-1-oxidanyl-cyclopropane-1-carboxamide
    27746
    L5L
    ZINC000000107357    		 1 C14 H15 N O S InChI=1S/C14H15NOS/c1-16-
    11-4-2-10(3-5-11)14-12-7-
    9-17-13(12)6-8-15-14/h2-5
    ,7,9,14-15H,6,8H2,1H3/t14
    -/m1/s1;
    YZMKEDMYYJQGRD-CQSZACIVSA-N    		 COc1ccc(cc1)C2c3ccsc3CCN2; COc1ccc(cc1)[
    CH]2NCCc3sccc23; COc1ccc(cc1)C1NCCc2sccc
    21; COc1ccc(cc1)[C@@H]2c3ccsc3CCN2; COc1
    ccc(cc1)[C@H]2NCCc3sccc23    		 (4R)-4-(4-methoxyphenyl)-4,5,6,7-tetrahydrothieno[3,2-c]pyridine
    27747
    L5N    		 16 C21 H13 Cl N2 O5 S InChI=1S/C21H13ClN2O5S/c2
    2-16-9-8-15(30-16)18(25)2
    3-14-3-1-2-13-17(14)20(27
    )24(19(13)26)10-11-4-6-12
    (7-5-11)21(28)29/h1-9H,10
    H2,(H,23,25)(H,28,29);
    IOFCJSIYHLICRV-UHFFFAOYSA-N    		 c1cc2c(c(c1)NC(=O)c3ccc(s3)Cl)C(=O)N(C2=
    O)Cc4ccc(cc4)C(=O)O; OC(=O)c1ccc(CN2C(=O
    )c3cccc(NC(=O)c4sc(Cl)cc4)c3C2=O)cc1    		 4-[[4-[(5-chloranylthiophen-2-yl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-2-yl]methyl]benzoic acid
    27748
    L5P
    ZINC000263620404    		 0 C11 H23 N2 O9 P InChI=1S/C11H23N2O9P/c12-
    7(11(17)18)3-1-2-4-13-5-8
    (14)10(16)9(15)6-22-23(19
    ,20)21/h7,9-10,13,15-16H,
    1-6,12H2,(H,17,18)(H2,19,
    20,21)/t7-,9+,10-/m0/s1;
    FCAUVIWDSGPTCC-SFGNSQDASA-N    		 C(CCNCC(=O)C(C(COP(=O)(O)O)O)O)CC(C(=O)O
    )N; N[C@@H](CCCCNCC(=O)[C@H](O)[C@H](O)C
    O[P](O)(O)=O)C(O)=O; NC(C(O)=O)CCCCNCC(=
    O)C(O)C(COP(O)(O)=O)O; C(CCNCC(=O)[C@@H]
    ([C@@H](COP(=O)(O)O)O)O)C[C@@H](C(=O)O)N
    ; N[CH](CCCCNCC(=O)[CH](O)[CH](O)CO[P](O
    )(O)=O)C(O)=O    		 (2S)-2-azanyl-6-[[(3R,4R)-3,4-bis(oxidanyl)-2-oxidanylidene-5-phosphonooxy-pentyl]amino]hexanoic acid
    27749
    L5Q    		 1 C7 H7 F3 N2 O2 InChI=1S/C7H7F3N2O2/c1-4-
    2-5(12-14-4)6(13)11-3-7(8
    ,9)10/h2H,3H2,1H3,(H,11,1
    3);
    XCSPVFNSKGQNKR-UHFFFAOYSA-N    		 Cc1onc(c1)C(=O)NCC(F)(F)F; Cc1cc(no1)C(=
    O)NCC(F)(F)F    		 5-methyl-~{N}-[2,2,2-tris(fluoranyl)ethyl]-1,2-oxazole-3-carboxamide
    27750
    L5R    		 0 C25 H23 N2 O8 P InChI=1S/C25H23N2O8P/c28-
    19-13-21(35-20(19)15-34-3
    6(31,32)33)27-22-18(17-9-
    5-2-6-10-17)14-25(22,23(2
    9)26-24(27)30)12-11-16-7-
    3-1-4-8-16/h1-10,14,19-22
    ,28H,13,15H2,(H,26,29,30)
    (H2,31,32,33)/t19-,20+,21
    +,22+,25-/m0/s1;
    XLEZPOFLRQLYTH-UDCDXJBOSA-N    		 c1ccc(cc1)C#CC23C=C(C2N(C(=O)NC3=O)C4CC(
    C(O4)COP(=O)(O)O)O)c5ccccc5; O[CH]1C[CH]
    (O[CH]1CO[P](O)(O)=O)N2[CH]3C(=C[C]3(C#C
    c4ccccc4)C(=O)NC2=O)c5ccccc5; c1ccc(cc1)
    C#C[C@]23C=C([C@H]2N(C(=O)NC3=O)[C@H]4C[
    C@@H]([C@H](O4)COP(=O)(O)O)O)c5ccccc5; O
    [C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2[C
    @@H]3C(=C[C@]3(C#Cc4ccccc4)C(=O)NC2=O)c5
    ccccc5    		 [(2R,3S,5R)-5-[(1R,6R)-3,5-bis(oxidanylidene)-8-phenyl-6-(2-phenylethynyl)-2,4-diazabicyclo[4.2.0]oct-7-en-2-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    27751
    L5S
    ZINC000000006991    		 1 C15 H12 N4 S InChI=1S/C15H12N4S/c1-10-
    17-18-13-9-16-14(11-5-3-2
    -4-6-11)12-7-8-20-15(12)1
    9(10)13/h2-8H,9H2,1H3;
    SIRFTOWPWPCSOP-UHFFFAOYSA-N    		 Cc1nnc2n1-c3c(ccs3)C(=NC2)c4ccccc4; Cc1n
    nc2CN=C(c3ccccc3)c4ccsc4n12; N2=C(c3ccsc
    3n1c(nnc1C)C2)c4ccccc4    		 13-methyl-7-phenyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene
    27752
    L5T
    ZINC000096142384    		 2 C40 H50 N6 O9 S InChI=1S/C40H50N6O9S/c1-8
    -22-18-40(22,36(50)51)45-
    34(48)30-16-25(19-46(30)3
    5(49)32(39(4,5)6)43-38(52
    )55-23-11-9-10-12-23)54-3
    1-17-28(41-27-15-24(53-7)
    13-14-26(27)31)29-20-56-3
    7(42-29)44-33(47)21(2)3/h
    8,13-15,17,20-23,25,30,32
    H,1,9-12,16,18-19H2,2-7H3
    ,(H,43,52)(H,45,48)(H,50,
    51)(H,42,44,47)/t22-,25-,
    30+,32-,40-/m1/s1;
    GEXHIQCMKLNKQH-LONKKFHASA-N    		 COc1ccc2c(O[CH]3C[CH](N(C3)C(=O)[CH](NC(
    =O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5(C[CH]5C=
    C)C(O)=O)cc(nc2c1)c6csc(NC(=O)C(C)C)n6;
    COc1ccc2c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H
    ](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C@@]5(C
    [C@H]5C=C)C(O)=O)cc(nc2c1)c6csc(NC(=O)C(
    C)C)n6; CC(C)C(=O)Nc1nc(cs1)c2cc(c3ccc(c
    c3n2)OC)OC4CC(N(C4)C(=O)C(C(C)(C)C)NC(=O
    )OC5CCCC5)C(=O)NC6(CC6C=C)C(=O)O; CC(C)C
    (=O)Nc1nc(cs1)c2cc(c3ccc(cc3n2)OC)O[C@@H
    ]4C[C@H](N(C4)C(=O)[C@H](C(C)(C)C)NC(=O)
    OC5CCCC5)C(=O)N[C@@]6(C[C@H]6C=C)C(=O)O;
    O=C(Nc6nc(c4nc5c(c(OC3CC(C(=O)NC1(C(=O)
    O)CC1/C=C)N(C(=O)C(NC(=O)OC2CCCC2)C(C)(C
    )C)C3)c4)ccc(OC)c5)cs6)C(C)C    		 N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-1-carboxy-2-ethenylcyclopropyl]-4-[(7-methoxy-2-{2-[(2-methylpropanoyl)amino]-1,3-thiazol-4-yl}quinolin-4-yl)oxy]-L-prolinamide
    27753
    L5V
    CHEMBL3099705    		 1 C6 H4 Cl N5 InChI=1S/C6H4ClN5/c7-5-2-
    8-1-4(11-5)6-9-3-10-12-6/
    h1-3H,(H,9,10,12);
    KOARCKONUFDYQJ-UHFFFAOYSA-N    		 c1c(nc(cn1)Cl)c2nc[nH]n2; Clc2nc(c1ncnn1
    )cnc2; Clc1cncc(n1)c2n[nH]cn2    		 2-chloranyl-6-(1H-1,2,4-triazol-3-yl)pyrazine
    27754
    L5W    		 2 C8 H13 N O2 InChI=1S/C8H13NO2/c10-7(9
    -11)8-3-1-6(5-8)2-4-8/h6,
    11H,1-5H2,(H,9,10)/t6-,8-;
    AHBXSKNCOQIRKT-FKQCQYRASA-N    		 ONC(=O)C12CCC(CC1)C2; C1CC2(CCC1C2)C(=O)
    NO    		 ~{N}-oxidanylbicyclo[2.2.1]heptane-1-carboxamide
    27755
    L5X
    ZINC000000333213    		 2 C10 H12 N2 O S InChI=1S/C10H12N2OS/c1-7-
    6-11-10(14-7)12-8-3-2-4-9
    (13)5-8/h2-5,7,13H,6H2,1H
    3,(H,11,12)/t7-/m0/s1;
    WAICHRCMCQSSEP-ZETCQYMHSA-N    		 C[CH]1CN=C(Nc2cccc(O)c2)S1; CC1CN=C(Nc2c
    c(O)ccc2)S1; CC1CN=C(S1)Nc2cccc(c2)O; C[
    C@H]1CN=C(S1)Nc2cccc(c2)O; C[C@H]1CN=C(N
    c2cccc(O)c2)S1    		 3-{[(5S)-5-methyl-4,5-dihydro-1,3-thiazol-2-yl]amino}phenol
    27756
    L5Y
    CHEMBL3099714
    ZINC000098209098    		 1 C14 H12 F3 N5 O InChI=1S/C14H12F3N5O/c15-
    14(16,17)12-6-8(19-3-4-23
    )5-10(20-12)13-9-1-2-18-7
    -11(9)21-22-13/h1-2,5-7,2
    3H,3-4H2,(H,19,20)(H,21,2
    2);
    CNTAIQDCYAEVFL-UHFFFAOYSA-N    		 c1cncc2c1c(n[nH]2)c3cc(cc(n3)C(F)(F)F)NC
    CO; OCCNc1cc(nc(c1)C(F)(F)F)c2n[nH]c3cnc
    cc23; FC(F)(F)c3nc(c2nnc1cnccc12)cc(NCCO
    )c3    		 2-{[2-(1H-pyrazolo[3,4-c]pyridin-3-yl)-6-(trifluoromethyl)pyridin-4-yl]amino}ethanol
    27757
    L5Z
    CHEMBL3547161
    ZINC000263620339    		 4 C19 H20 F N5 InChI=1S/C19H20FN5/c20-16
    -3-1-2-14(11-16)10-15-12-
    18(15)22-6-4-17-5-7-23-19
    (24-17)25-9-8-21-13-25/h1
    -3,5,7-9,11,13,15,18,22H,
    4,6,10,12H2/t15-,18-/m1/s
    1;
    CYEVFFVOLRMDHH-CRAIPNDOSA-N    		 Fc1cccc(C[C@@H]2C[C@H]2NCCc3ccnc(n3)n4cc
    nc4)c1; Fc1cccc(C[CH]2C[CH]2NCCc3ccnc(n3
    )n4ccnc4)c1; Fc1cccc(c1)CC4CC4NCCc2nc(nc
    c2)n3ccnc3; c1cc(cc(c1)F)CC2CC2NCCc3ccnc
    (n3)n4ccnc4; c1cc(cc(c1)F)C[C@@H]2C[C@H]
    2NCCc3ccnc(n3)n4ccnc4    		 (1R,2R)-2-(3-fluorobenzyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}cyclopropanamine
    27758
    L60
    CHEMBL12593
    ZINC000001577583    		 3 C4 H8 N2 O InChI=1S/C4H8N2O/c7-4-5-2
    -1-3-6-4/h1-3H2,(H2,5,6,7
    );
    NQPJDJVGBDHCAD-UHFFFAOYSA-N    		 O=C1NCCCN1; C1CNC(=O)NC1 1,3-diazinan-2-one
    27759
    L61
    ZINC000095921011    		 1 C14 H19 N O3 InChI=1S/C14H19NO3/c1-11(
    2)10-18-14(17)15-13(8-9-1
    6)12-6-4-3-5-7-12/h3-7,9,
    11,13H,8,10H2,1-2H3,(H,15
    ,17)/t13-/m1/s1;
    DANIFTQCKXMYRY-CYBMUJFWSA-N    		 CC(C)COC(=O)N[C@H](CC=O)c1ccccc1; CC(C)C
    OC(=O)NC(CC=O)c1ccccc1; O=C(OCC(C)C)NC(c
    1ccccc1)CC=O; CC(C)COC(=O)N[CH](CC=O)c1c
    cccc1    		 2-methylpropyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
    27760
    L62
    ZINC000095920822    		 1 C15 H19 N O3 InChI=1S/C15H19NO3/c17-11
    -10-14(12-6-2-1-3-7-12)16
    -15(18)19-13-8-4-5-9-13/h
    1-3,6-7,11,13-14H,4-5,8-1
    0H2,(H,16,18)/t14-/m1/s1;
    JHRUSYOIALPZLD-CQSZACIVSA-N    		 O=CC[C@@H](NC(=O)OC1CCCC1)c2ccccc2; c1cc
    c(cc1)C(CC=O)NC(=O)OC2CCCC2; c1ccc(cc1)[
    C@@H](CC=O)NC(=O)OC2CCCC2; O=CC[CH](NC(=
    O)OC1CCCC1)c2ccccc2; O=C(OC1CCCC1)NC(c2c
    cccc2)CC=O    		 cyclopentyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
    27761
    L63
    ZINC000071788677    		 4 C17 H18 N2 O4 InChI=1S/C17H18N2O4/c1-11
    (20)15(17(22)19-23)18-16(
    21)14-9-7-13(8-10-14)12-5
    -3-2-4-6-12/h2-11,15,20,2
    3H,1H3,(H,18,21)(H,19,22)
    /t11-,15+/m1/s1;
    AXQUTBMFDJGETC-ABAIWWIYSA-N    		 C[CH](O)[CH](NC(=O)c1ccc(cc1)c2ccccc2)C(
    =O)NO; CC(C(C(=O)NO)NC(=O)c1ccc(cc1)c2cc
    ccc2)O; C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)
    c2ccccc2)C(=O)NO; C[C@H]([C@@H](C(=O)NO)
    NC(=O)c1ccc(cc1)c2ccccc2)O; O=C(NC(C(=O)
    NO)C(O)C)c2ccc(c1ccccc1)cc2    		 N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]biphenyl-4-carboxamide
    27762
    L64
    CHEMBL540695
    ZINC000039300550    		 1 C32 H32 N10 O3 InChI=1S/C32H32N10O3/c43-
    31(23-2-1-11-34-20-23)41-
    14-9-26(10-15-41)42-30-27
    (21-35-42)29(40-16-18-45-
    19-17-40)38-28(39-30)22-3
    -5-24(6-4-22)36-32(44)37-
    25-7-12-33-13-8-25/h1-8,1
    1-13,20-21,26H,9-10,14-19
    H2,(H2,33,36,37,44);
    HLHOHTNONYACFD-UHFFFAOYSA-N    		 O=C(Nc1ccncc1)Nc2ccc(cc2)c3nc(N4CCOCC4)c
    5cnn(C6CCN(CC6)C(=O)c7cccnc7)c5n3; c1cc(
    cnc1)C(=O)N2CCC(CC2)n3c4c(cn3)c(nc(n4)c5
    ccc(cc5)NC(=O)Nc6ccncc6)N7CCOCC7; O=C(c1
    cccnc1)N7CCC(n3ncc2c(nc(nc23)c5ccc(NC(=O
    )Nc4ccncc4)cc5)N6CCOCC6)CC7    		 1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea
    27763
    L66
    CHEMBL566515
    ZINC000045245466    		 2 C22 H19 N5 O4 InChI=1S/C22H19N5O4/c1-12
    -8-9-13(28)10-14(12)16-11
    -26-18-19(25(2)22(30)24-2
    0(18)29)23-21(26)27(16)15
    -6-4-5-7-17(15)31-3/h4-11
    ,28H,1-3H3,(H,24,29,30);
    JTWMOWRMSZZHDR-UHFFFAOYSA-N    		 Cc1ccc(cc1c2cn3c4c(nc3n2c5ccccc5OC)N(C(=
    O)NC4=O)C)O; COc1ccccc1n2c(cn3c2nc4N(C)C
    (=O)NC(=O)c34)c5cc(O)ccc5C; O=C2c1n4c(nc
    1N(C(=O)N2)C)n(c(c3cc(O)ccc3C)c4)c5ccccc
    5OC    		 7-(5-hydroxy-2-methylphenyl)-8-(2-methoxyphenyl)-1-methyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
    27764
    L67    		 8 C16 H18 O5 InChI=1S/C16H18O5/c17-14(
    18)8-10-4-6-11(7-5-10)16(
    21)13-3-1-2-12(13)9-15(19
    )20/h4-7,12-13H,1-3,8-9H2
    ,(H,17,18)(H,19,20);
    MDWWEFDMQKFGKX-UHFFFAOYSA-N    		 OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccc(CC(O)=
    O)cc2; c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=
    O)O; OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(CC(O
    )=O)cc2; C2C(C(c1ccc(cc1)CC(=O)O)=O)C(CC
    2)CC(=O)O    		 {(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetic acid
    27765
    L68    		 1 C23 H16 F2 N4 O3 InChI=1S/C23H16F2N4O3/c1-
    29-12-17(11-28-29)13-2-4-
    18(23(31)32)14(6-13)3-5-2
    1(30)22-19(24)7-15(8-20(2
    2)25)16-9-26-27-10-16/h2-
    12H,1H3,(H,26,27)(H,31,32
    )/b5-3+;
    UMAKCENGRSEXNB-HWKANZROSA-N    		 Cn1cc(cn1)c2ccc(C(O)=O)c(/C=C/C(=O)c3c(F
    )cc(cc3F)c4c[nH]nc4)c2; Cn1cc(cn1)c2ccc(
    C(O)=O)c(C=CC(=O)c3c(F)cc(cc3F)c4c[nH]nc
    4)c2; Cn1cc(cn1)c2ccc(c(c2)C=CC(=O)c3c(c
    c(cc3F)c4c[nH]nc4)F)C(=O)O    		 2-[3-[2,6-bis(fluoranyl)-4-(1~{H}-pyrazol-4-yl)phenyl]-3-oxidanylidene-prop-1-enyl]-4-(1-methylpyrazol-4-yl)benzoic acid
    27766
    L69
    CHEMBL34819
    ZINC000001533832    		 2 C8 H12 O8 P2 InChI=1S/C8H12O8P2/c1-8(1
    7(10,11)12,18(13,14)15)16
    -7-4-2-6(9)3-5-7/h2-5,9H,
    1H3,(H2,10,11,12)(H2,13,1
    4,15);
    JKOCAAWWDVHWKB-UHFFFAOYSA-N    		 CC(Oc1ccc(cc1)O)(P(=O)(O)O)P(=O)(O)O; CC
    (Oc1ccc(O)cc1)([P](O)(O)=O)[P](O)(O)=O    		 [1-(4-oxidanylphenoxy)-1-phosphono-ethyl]phosphonic acid;
    L-690330
    27767
    L6A
    CHEMBL5218823    		 1 C16 H14 N4 O2 InChI=1S/C16H14N4O2/c17-1
    5-13-5-12(16(18)22)11(6-1
    4(13)19-8-20-15)10-3-1-2-
    9(4-10)7-21/h1-6,8,21H,7H
    2,(H2,18,22)(H2,17,19,20);
    UNWGLQGHMTWDJL-UHFFFAOYSA-N    		 c1cc(cc(c1)c2cc3c(cc2C(=O)N)c(ncn3)N)CO;
    NC(=O)c1cc2c(N)ncnc2cc1c3cccc(CO)c3    		 4-azanyl-7-[3-(hydroxymethyl)phenyl]quinazoline-6-carboxamide
    27768
    L6B    		 1 C15 H18 N2 O4 InChI=1S/C15H18N2O4/c1-21
    -13(18)7-4-8-16-14(19)11-
    9-10-5-2-3-6-12(10)17-15(
    11)20/h4,8-9H,2-3,5-7H2,1
    H3,(H,16,19)(H,17,20)/b8-
    4+;
    JTDAYDBLAIIQAZ-XBXARRHUSA-N    		 COC(=O)C/C=C/NC(=O)C1=CC2=C(CCCC2)NC1=O;
    COC(=O)CC=CNC(=O)C1=CC2=C(CCCC2)NC1=O    		 methyl 4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-3-enoate
    27769
    L6C
    ZINC000095920823    		 2 C16 H15 N O3 InChI=1S/C16H15NO3/c18-12
    -11-15(13-7-3-1-4-8-13)17
    -16(19)20-14-9-5-2-6-10-1
    4/h1-10,12,15H,11H2,(H,17
    ,19)/t15-/m1/s1;
    HHWCOMIRIZKFCW-OAHLLOKOSA-N    		 c1ccc(cc1)[C@@H](CC=O)NC(=O)Oc2ccccc2; O
    =CC[C@@H](NC(=O)Oc1ccccc1)c2ccccc2; O=CC
    [CH](NC(=O)Oc1ccccc1)c2ccccc2; c1ccc(cc1
    )C(CC=O)NC(=O)Oc2ccccc2; O=C(Oc1ccccc1)N
    C(c2ccccc2)CC=O    		 phenyl N-[(1R)-3-oxidanylidene-1-phenyl-propyl]carbamate
    27770
    L6D    		 3 C15 H12 Cl N3 O InChI=1S/C15H12ClN3O/c16-
    12-5-3-4-11(8-12)9-15(20)
    18-19-10-17-13-6-1-2-7-14
    (13)19/h1-8,10H,9H2,(H,18
    ,20);
    YHLCUCKEOZVUDL-UHFFFAOYSA-N    		 c1ccc2c(c1)ncn2NC(=O)Cc3cccc(c3)Cl; Clc1
    cccc(CC(=O)Nn2cnc3ccccc23)c1; Clc1cccc(c
    1)CC(=O)Nn1cnc2ccccc21    		 N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide
    27771
    L6E    		 1 C17 H21 N3 O5 InChI=1S/C17H21N3O5/c1-18
    -14(21)10-25-15(22)7-4-8-
    19-16(23)12-9-11-5-2-3-6-
    13(11)20-17(12)24/h4,7,9H
    ,2-3,5-6,8,10H2,1H3,(H,18
    ,21)(H,19,23)(H,20,24)/b7
    -4+;
    TVQYRIKRPWLBEA-QPJJXVBHSA-N    		 CNC(=O)COC(=O)/C=C/CNC(=O)C1=CC2=C(CCCC2
    )NC1=O; CNC(=O)COC(=O)C=CCNC(=O)C1=CC2=C
    (CCCC2)NC1=O; CNC(=O)COC(=O)\C=C\CNC(=O)
    C1=CC2=C(CCCC2)NC1=O    		 [2-(methylamino)-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
    27772
    L6F    		 1 C15 H16 N2 InChI=1S/C15H16N2/c16-14-
    8-4-7-13-12(14)9-10-17-15
    (13)11-5-2-1-3-6-11/h1-8,
    15,17H,9-10,16H2/t15-/m1/
    s1;
    SJAZZYOCOXNSIX-OAHLLOKOSA-N    		 Nc1cccc2[C@H](NCCc12)c3ccccc3; c1ccc(cc1
    )C2c3cccc(c3CCN2)N; Nc1cccc2[CH](NCCc12)
    c3ccccc3; c1ccc(cc1)[C@@H]2c3cccc(c3CCN2
    )N; Nc1cccc2c1CCNC2c1ccccc1    		 (1R)-1-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
    27773
    L6G
    CHEMBL3593407
    ZINC000139916031    		 4 C21 H29 N5 O3 S3 InChI=1S/C21H29N5O3S3/c1-
    12(2)17-18(28)23-13(6-4-5
    -7-30)8-15(27)22-9-16-24-
    14(10-31-16)19-26-21(3,11
    -32-19)20(29)25-17/h4,6,1
    0,12-13,17,30H,5,7-9,11H2
    ,1-3H3,(H,22,27)(H,23,28)
    (H,25,29)/b6-4+/t13-,17+,
    21+/m1/s1;
    CPERKRDUKGURNJ-BNVDZZMOSA-N    		 CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2nc(cs2
    )C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS; CC(C
    )[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c3csc(CNC(
    =O)C[C@H](NC1=O)\C=C\CCS)n3; CC(C)C1C(=O
    )NC(CC(=O)NCc2nc(cs2)C3=NC(CS3)(C(=O)N1)
    C)C=CCCS; CC(C)[CH]1NC(=O)[C]2(C)CSC(=N2
    )c3csc(CNC(=O)C[CH](NC1=O)C=CCCS)n3; O=C
    2NCc1scc(n1)C3=NC(C(=O)NC(C(=O)NC(/C=C/C
    CS)C2)C(C)C)(C)CS3    		 (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione
    27774
    L6H    		 1 C28 H38 N4 O7 InChI=1S/C28H38N4O7/c33-2
    4(29-16-9-17-31-28(37)39-
    21-11-4-2-1-3-5-12-21)19-
    38-25(34)14-8-15-30-26(35
    )22-18-20-10-6-7-13-23(20
    )32-27(22)36/h1-2,8,14,18
    ,21H,3-7,9-13,15-17,19H2,
    (H,29,33)(H,30,35)(H,31,3
    7)(H,32,36)/b2-1?,14-8+/t
    21-/m1/s1;
    XBCNCWLUITUPGM-PESUWNSQSA-N    		 C1CCC2=C(C1)C=C(C(=O)N2)C(=O)NCC=CC(=O)O
    CC(=O)NCCCNC(=O)OC3CCCC=CCC3; C1CCC2=C(C
    1)C=C(C(=O)N2)C(=O)NC/C=C/C(=O)OCC(=O)NC
    CCNC(=O)OC3CCCC=CCC3; O=C(COC(=O)C=CCNC(
    =O)C1=CC2=C(CCCC2)NC1=O)NCCCNC(=O)O[CH]3
    CCCC=CCC3; O=C(COC(=O)\C=C\CNC(=O)C1=CC2
    =C(CCCC2)NC1=O)NCCCNC(=O)O[C@H]3CCC/C=C/
    CC3    		 [2-[3-(cyclooct-4-en-1-yloxycarbonylamino)propylamino]-2-oxidanylidene-ethyl] (~{E})-4-[(2-oxidanylidene-5,6,7,8-tetrahydro-1~{H}-quinolin-3-yl)carbonylamino]but-2-enoate
    27775
    L6I
    CHEMBL3819587
    ZINC000584905599    		 1 C28 H30 N4 O6 S InChI=1S/C28H30N4O6S/c1-1
    7-9-10-19(22(14-27(33)34)
    20-12-23-28(25(13-20)37-4
    )31(3)30-29-23)11-21(17)1
    6-32-15-18(2)38-24-7-5-6-
    8-26(24)39(32,35)36/h5-13
    ,18,22H,14-16H2,1-4H3,(H,
    33,34)/t18-,22+/m1/s1;
    ZDNGJXBUEQNFBQ-GCJKJVERSA-N    		 COc1cc(cc2nnn(C)c12)[C@@H](CC(O)=O)c3ccc
    (C)c(CN4C[C@@H](C)Oc5ccccc5[S]4(=O)=O)c3
    ; Cc1ccc(cc1CN2C[C@H](Oc3ccccc3S2(=O)=O)
    C)[C@H](CC(=O)O)c4cc5c(c(c4)OC)n(nn5)C;
    COc1cc(cc2nnn(C)c12)[CH](CC(O)=O)c3ccc(C
    )c(CN4C[CH](C)Oc5ccccc5[S]4(=O)=O)c3; Cc
    1ccc(cc1CN2CC(Oc3ccccc3S2(=O)=O)C)C(CC(=
    O)O)c4cc5c(c(c4)OC)n(nn5)C    		 (3S)-3-(7-methoxy-1-methyl-1H-benzo[d][1,2,3]triazol-5-yl)-3-(4-methyl-3-(((R)-4-methyl-1,1-dioxido-3,4-dihydro-2H-benzo[b][1,4,5]oxathiazepin-2-yl)methyl)phenyl)propanoic acid
    27776
    L6J    		 4 C16 H18 O6 InChI=1S/C16H18O6/c1-22-1
    2-8-3-2-5-11(12)14(17)10-
    7-4-6-9(10)13(15(18)19)16
    (20)21/h2-3,5,8-10,13H,4,
    6-7H2,1H3,(H,18,19)(H,20,
    21)/t9?,10-/m1/s1;
    KFADNUOGNGGPQM-QVDQXJPCSA-N    		 COc1ccccc1C(=O)C2CCCC2C(C(=O)O)C(=O)O; C
    Oc1ccccc1C(=O)[C@@H]2CCC[C@H]2C(C(O)=O)C
    (O)=O; COc1ccccc1C(=O)[CH]2CCC[CH]2C(C(O
    )=O)C(O)=O; C2(C(c1c(cccc1)OC)=O)CCCC2C(
    C(=O)O)C(=O)O    		 [(1R,2R)-2-(2-methoxybenzene-1-carbonyl)cyclopentyl]propanedioic acid
    27777
    L6K    		 1 C16 H20 N2 O4 InChI=1S/C16H20N2O4/c1-18
    -15(16(19)20)7-11-2-4-13(
    5-3-11)21-9-12-6-14(8-17)
    22-10-12/h2-6,10,15,18H,7
    -9,17H2,1H3,(H,19,20)/t15
    -/m0/s1;
    QGZKJFPEUIZHQR-HNNXBMFYSA-N    		 CNC(Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O; CN[
    C@@H](Cc1ccc(cc1)OCc2cc(oc2)CN)C(=O)O; C
    N[C@@H](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O;
    CN[CH](Cc1ccc(OCc2coc(CN)c2)cc1)C(O)=O    		 (2~{S})-3-[4-[[5-(aminomethyl)furan-3-yl]methoxy]phenyl]-2-(methylamino)propanoic acid
    27778
    L6L
    ZINC000618007762    		 1 C19 H27 F3 N2 O2 S2 InChI=1S/C19H27F3N2O2S2/c
    1-23(2)11-13-28-27-12-6-1
    7(25)24-9-7-18(26,8-10-24
    )15-4-3-5-16(14-15)19(20,
    21)22/h3-5,14,26H,6-13H2,
    1-2H3;
    ODOXOFKRBGHUGR-UHFFFAOYSA-N    		 CN(C)CCSSCCC(=O)N1CCC(CC1)(c2cccc(c2)C(F
    )(F)F)O; CN(C)CCSSCCC(=O)N1CCC(O)(CC1)c2
    cccc(c2)C(F)(F)F    		 3-[2-(dimethylamino)ethyldisulfanyl]-1-[4-oxidanyl-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]propan-1-one
    27779
    L6M    		 4 C30 H37 N5 O10 InChI=1S/C30H37N5O10/c31-
    23-10-11-35(30(44)34-23)2
    6-14-21(36)22(45-26)15-32
    -24(37)9-8-20(29(42)43)33
    -25(38)13-18-2-1-3-19(18)
    28(41)17-6-4-16(5-7-17)12
    -27(39)40/h4-7,10-11,18-2
    2,26,36H,1-3,8-9,12-15H2,
    (H,32,37)(H,33,38)(H,39,4
    0)(H,42,43)(H2,31,34,44)/
    t18-,19+,20-,21-,22+,26+/
    m0/s1;
    JVRVDICAIPFWFZ-BONAQRLYSA-N    		 c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)NC(CC
    C(=O)NCC3C(CC(O3)N4C=CC(=NC4=O)N)O)C(=O)
    O; NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H
    ](CNC(=O)CC[C@H](NC(=O)C[C@@H]3CCC[C@H]3
    C(=O)c4ccc(CC(O)=O)cc4)C(O)=O)O2; C(CC(C
    (=O)O)NC(CC2C(C(c1ccc(CC(=O)O)cc1)=O)CCC
    2)=O)C(NCC4C(CC(N3C=CC(=NC3=O)N)O4)O)=O;
    c1cc(ccc1CC(=O)O)C(=O)C2CCCC2CC(=O)N[C@
    @H](CCC(=O)NC[C@@H]3[C@H](C[C@@H](O3)N4C
    =CC(=NC4=O)N)O)C(=O)O; NC1=NC(=O)N(C=C1)
    [CH]2C[CH](O)[CH](CNC(=O)CC[CH](NC(=O)C[
    CH]3CCC[CH]3C(=O)c4ccc(CC(O)=O)cc4)C(O)=
    O)O2    		 5'-{[N-({(1S,2R)-2-[4-(carboxymethyl)benzene-1-carbonyl]cyclopentyl}acetyl)-L-gamma-glutamyl]amino}-2',5'-dideoxycytidine
    27780
    L6N    		 3 C7 H14 O6 InChI=1S/C7H14O6/c1-12-2-
    3-4(8)5(9)6(10)7(11)13-3/
    h3-11H,2H2,1H3/t3-,4-,5+,
    6-,7-/m1/s1;
    QWJKEQVWXSYDJA-XUUWZHRGSA-N    		 COCC1C(C(C(C(O1)O)O)O)O; COC[C@H]1O[C@@H
    ](O)[C@H](O)[C@@H](O)[C@@H]1O; COC[C@@H]
    1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O; C
    OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O    		 (2~{R},3~{R},4~{S},5~{S},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol
    27781
    L6O
    ZINC000006114288    		 1 C10 H11 F N2 S InChI=1S/C10H11FN2S/c1-7-
    6-12-10(14-7)13-9-4-2-8(1
    1)3-5-9/h2-5,7H,6H2,1H3,(
    H,12,13)/t7-/m1/s1;
    QAZPKSKUOOWBMI-SSDOTTSWSA-N    		 CC1CN=C(S1)Nc2ccc(cc2)F; C[CH]1CN=C(Nc2c
    cc(F)cc2)S1; C[C@@H]1CN=C(Nc2ccc(F)cc2)S
    1; CC1CN=C(Nc2ccc(F)cc2)S1; C[C@@H]1CN=C
    (S1)Nc2ccc(cc2)F    		 (5R)-N-(4-fluorophenyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
    27782
    L6P    		 1 C19 H22 N2 O3 InChI=1S/C19H22N2O3/c20-1
    2-15-5-4-13(10-16(15)14-6
    -7-14)11-17(22)21-19(18(2
    3)24)8-2-1-3-9-19/h4-5,10
    ,14H,1-3,6-9,11H2,(H,21,2
    2)(H,23,24);
    XZXSSWDGVSHUNZ-UHFFFAOYSA-N    		 OC(=O)C1(CCCCC1)NC(=O)Cc2ccc(C#N)c(c2)C3
    CC3; c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C
    3CC3)C#N; c1(c(C#N)ccc(c1)CC(NC2(CCCCC2)
    C(O)=O)=O)C3CC3    		 1-{[(4-cyano-3-cyclopropylphenyl)acetyl]amino}cyclohexane-1-carboxylic acid
    27783
    L6R    		 1 C17 H19 Cl N2 O InChI=1S/C17H19ClN2O/c1-3
    -5-15(13-6-4-7-14(18)10-1
    3)17(21)20-16-11-19-9-8-1
    2(16)2/h4,6-11,15H,3,5H2,
    1-2H3,(H,20,21)/t15-/m1/s
    1;
    QJMYJFPUHDEEBX-OAHLLOKOSA-N    		 CCCC(c1cccc(c1)Cl)C(=O)Nc2cnccc2C; CCC[C
    H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2; CCC[C@@
    H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2; CCC[C@H
    ](c1cccc(c1)Cl)C(=O)Nc2cnccc2C; O=C(Nc1c
    nccc1C)C(CCC)c1cccc(Cl)c1    		 (2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide
    27784
    L6S    		 9 C6 H12 O9 S InChI=1S/C6H12O9S/c7-3-2(
    1-14-16(11,12)13)15-6(10)
    5(9)4(3)8/h2-10H,1H2,(H,1
    1,12,13)/t2-,3+,4+,5-,6+/
    m0/s1;
    OKUVUONOJCDUJY-SXUWKVJYSA-N    		 O=S(=O)(O)OCC1OC(O)C(O)C(O)C1O; C(C1C(C(
    C(C(O1)O)O)O)O)OS(=O)(=O)O; C([C@H]1[C@H
    ]([C@H]([C@@H]([C@@H](O1)O)O)O)O)OS(=O)(
    =O)O; O[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)
    [CH](O)[CH]1O; O[C@@H]1O[C@@H](CO[S](O)(
    =O)=O)[C@@H](O)[C@@H](O)[C@@H]1O    		 6-O-sulfo-alpha-L-galactopyranose;
    6-O-sulfo-alpha-L-galactose;
    6-O-sulfo-L-galactose;
    6-O-sulfo-galactose
    27785
    L6T    		 26 C24 H46 O11 InChI=1S/C24H46O11/c1-2-3
    -4-5-6-7-8-9-10-11-12-32-
    14-16-18(27)20(29)22(31)2
    4(34-16)35-23-21(30)19(28
    )17(26)15(13-25)33-23/h15
    -31H,2-14H2,1H3/t15-,16-,
    17-,18-,19+,20+,21-,22-,2
    3-,24-/m1/s1;
    HIJNTEBBIQHGEK-FXPCSOOLSA-N    		 CCCCCCCCCCCCOCC1C(C(C(C(O1)OC2C(C(C(C(O2
    )CO)O)O)O)O)O)O; CCCCCCCCCCCCOC[C@@H]1[C
    @H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@@H]
    ([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O; C
    CCCCCCCCCCCOC[CH]1O[CH](O[CH]2O[CH](CO)[
    CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
    ; CCCCCCCCCCCCOC[C@H]1O[C@H](O[C@H]2O[C@
    H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[
    C@@H](O)[C@@H]1O; C1(OC(C(C(C1O)O)O)COCC
    CCCCCCCCCC)OC2C(C(C(C(CO)O2)O)O)O    		 alpha-D-glucopyranosyl 6-O-dodecyl-alpha-D-glucopyranoside
    27786
    L6U
    CHEMBL5208789    		 1 C28 H34 N4 O5 S InChI=1S/C28H34N4O5S/c1-2
    9-27(34)22(14-11-19-8-5-4
    -6-9-19)31-28(35)26(24-10
    -7-15-38-24)32-25(33)18-3
    0-17-20-12-13-21(36-2)16-
    23(20)37-3/h4-10,12-13,15
    -16,22,26,30H,11,14,17-18
    H2,1-3H3,(H,29,34)(H,31,3
    5)(H,32,33)/t22-,26+/m0/s
    1;
    TUQBDKJHGPFTTD-BKMJKUGQSA-N    		 O=C(NC(c1cccs1)C(=O)NC(CCc1ccccc1)C(=O)N
    C)CNCc1ccc(OC)cc1OC; CNC(=O)[C@H](CCc1cc
    ccc1)NC(=O)[C@H](NC(=O)CNCc2ccc(OC)cc2OC
    )c3sccc3; CNC(=O)C(CCc1ccccc1)NC(=O)C(c2
    cccs2)NC(=O)CNCc3ccc(cc3OC)OC; CNC(=O)[C
    @H](CCc1ccccc1)NC(=O)[C@@H](c2cccs2)NC(=
    O)CNCc3ccc(cc3OC)OC; CNC(=O)[CH](CCc1ccc
    cc1)NC(=O)[CH](NC(=O)CNCc2ccc(OC)cc2OC)c
    3sccc3    		 (2S)-2-{[(2S)-2-({N-[(2,4-dimethoxyphenyl)methyl]glycyl}amino)-2-(thiophen-2-yl)acetyl]amino}-N-methyl-4-phenylbutanamide
    27787
    L6V    		 1 C19 H20 N2 O3 S2 InChI=1S/C19H20N2O3S2/c20
    -12-15-4-6-16(7-5-15)14-2
    6(23,24)21-18(22)19(9-2-1
    -3-10-19)17-8-11-25-13-17
    /h4-8,11,13H,1-3,9-10,14H
    2,(H,21,22);
    KAEXAGMLFGNNER-UHFFFAOYSA-N    		 c1cc(ccc1CS(=O)(=O)NC(=O)C2(CCCCC2)c3ccs
    c3)C#N; O=C(N[S](=O)(=O)Cc1ccc(cc1)C#N)C
    2(CCCCC2)c3cscc3; c1cc(ccc1CS(NC(C2(CCCC
    C2)c3ccsc3)=O)(=O)=O)C#N    		 N-{[(4-cyanophenyl)methyl]sulfonyl}-1-(thiophen-3-yl)cyclohexane-1-carboxamide
    27788
    L6X
    CHEMBL88700
    ZINC000000402986    		 1 C8 H8 O4 InChI=1S/C8H8O4/c1-12-7-3
    -2-5(8(10)11)4-6(7)9/h2-4
    ,9H,1H3,(H,10,11);
    LBKFGYZQBSGRHY-UHFFFAOYSA-N    		 COc1ccc(cc1O)C(=O)O; COc1ccc(cc1O)C(O)=O 4-methoxy-3-oxidanyl-benzoic acid
    27789
    L6Y
    ZINC000005234386    		 2 C19 H11 N O4 InChI=1S/C19H11NO4/c21-17
    (11-5-2-1-3-6-11)13-9-10-
    15-16-12(13)7-4-8-14(16)1
    8(22)20(24)19(15)23/h1-10
    ,24H;
    AFGMHSZWGJYWFH-UHFFFAOYSA-N    		 ON1C(=O)c2cccc3c(ccc(C1=O)c23)C(=O)c4ccc
    cc4; c1ccc(cc1)C(=O)c2ccc3c4c2cccc4C(=O)
    N(C3=O)O    		 2-oxidanyl-6-(phenylcarbonyl)benzo[de]isoquinoline-1,3-dione
    27790
    L70
    ZINC000618008251    		 1 C19 H28 Cl2 N4 O2 S2 InChI=1S/C19H28Cl2N4O2S2/
    c1-24(2)7-9-29-28-8-5-23-
    18(26)13-4-3-6-25(12-13)1
    9(27)15-10-14(20)11-16(21
    )17(15)22/h10-11,13H,3-9,
    12,22H2,1-2H3,(H,23,26)/t
    13-/m0/s1;
    CPSPVIZMUGBZBR-ZDUSSCGKSA-N    		 CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(=O)c2cc
    (cc(c2N)Cl)Cl; CN(C)CCSSCCNC(=O)C1CCCN(C
    1)C(=O)c2cc(cc(c2N)Cl)Cl; CN(C)CCSSCCNC(
    =O)[CH]1CCCN(C1)C(=O)c2cc(Cl)cc(Cl)c2N;
    CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(=O)c2cc
    (Cl)cc(Cl)c2N    		 (3~{S})-1-[2-azanyl-3,5-bis(chloranyl)phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
    27791
    L71
    ZINC000263620237    		 1 C13 H16 N2 O2 InChI=1S/C13H16N2O2/c1-2-
    15-12(16)7-11(13(15)17)10
    -5-3-4-9(6-10)8-14/h3-6,1
    1H,2,7-8,14H2,1H3/t11-/m0
    /s1;
    AJBOSGPUTQMKJM-NSHDSACASA-N    		 O=C2N(C(=O)CC2c1cccc(c1)CN)CC; CCN1C(=O)
    CC(C1=O)c2cccc(c2)CN; CCN1C(=O)C[C@H](C1
    =O)c2cccc(CN)c2; CCN1C(=O)C[CH](C1=O)c2c
    ccc(CN)c2; CCN1C(=O)C[C@H](C1=O)c2cccc(c
    2)CN    		 (3S)-3-[3-(aminomethyl)phenyl]-1-ethylpyrrolidine-2,5-dione
    27792
    L73
    CHEMBL5177515    		 1 C30 H44 N4 O4 InChI=1S/C30H44N4O4/c1-7-
    8-16-32-20-27(35)33-26(18
    -21-12-14-23(15-13-21)30(
    2,3)4)29(37)34-25(28(36)3
    1-5)19-22-10-9-11-24(17-2
    2)38-6/h9-15,17,25-26,32H
    ,7-8,16,18-20H2,1-6H3,(H,
    31,36)(H,33,35)(H,34,37)/
    t25-,26+/m0/s1;
    VWEUUVZMTLGMMV-IZZNHLLZSA-N    		 CCCCNCC(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)C(
    =O)N[C@@H](Cc2cccc(c2)OC)C(=O)NC; CCCCNC
    C(=O)N[C@H](Cc1ccc(cc1)C(C)(C)C)C(=O)N[C
    @@H](Cc2cccc(OC)c2)C(=O)NC; CCCCNCC(=O)N
    C(Cc1ccc(cc1)C(C)(C)C)C(=O)NC(Cc2cccc(c2
    )OC)C(=O)NC; CCCCNCC(=O)N[CH](Cc1ccc(cc1
    )C(C)(C)C)C(=O)N[CH](Cc2cccc(OC)c2)C(=O)
    NC; COc1cc(CC(NC(=O)C(Cc2ccc(cc2)C(C)(C)
    C)NC(=O)CNCCCC)C(=O)NC)ccc1    		 N-butylglycyl-4-tert-butyl-D-phenylalanyl-3-methoxy-N-methyl-L-phenylalaninamide
    27793
    L74
    CHEMBL267014
    ZINC000095803215    		 2 C18 H19 Cl N4 InChI=1S/C18H19ClN4/c19-1
    5-3-5-16(6-4-15)23-10-8-2
    2(9-11-23)13-14-12-21-18-
    17(14)2-1-7-20-18/h1-7,12
    H,8-11,13H2,(H,20,21);
    OGJGQVFWEPNYSB-UHFFFAOYSA-N    		 c1cc2c(c[nH]c2nc1)CN3CCN(CC3)c4ccc(cc4)C
    l; Clc1ccc(cc1)N2CCN(CC2)Cc3c[nH]c4ncccc
    34; c2cc1c(cnc1nc2)CN3CCN(CC3)c4ccc(Cl)c
    c4    		 3-{[4-(4-chlorophenyl)piperazin-1-yl]methyl}-1H-pyrrolo[2,3-b]pyridine
    27794
    L75
    CHEMBL1233940
    ZINC000024447427    		 2 C39 H48 N4 O5 InChI=1S/C39H48N4O5/c1-39
    (2,3)41-38(47)33-25-42(24
    -31-21-28-14-8-10-16-35(2
    8)48-31)17-18-43(33)23-30
    (44)20-29(19-26-11-5-4-6-
    12-26)37(46)40-36-32-15-9
    -7-13-27(32)22-34(36)45/h
    4-16,21,29-30,33-34,36,44
    -45H,17-20,22-25H2,1-3H3,
    (H,40,46)(H,41,47)/t29-,3
    0+,33+,34-,36+/m1/s1;
    AOMZDQMIOCTPQP-QHQMVRJISA-N    		 CC(C)(C)NC(=O)[C@@H]1CN(CCN1C[C@@H](O)C[
    C@@H](Cc2ccccc2)C(=O)N[C@@H]3[C@H](O)Cc4
    ccccc34)Cc5oc6ccccc6c5; CC(C)(C)NC(=O)C1
    CN(CCN1CC(CC(Cc2ccccc2)C(=O)NC3c4ccccc4C
    C3O)O)Cc5cc6ccccc6o5; CC(C)(C)NC(=O)[CH]
    1CN(CCN1C[CH](O)C[CH](Cc2ccccc2)C(=O)N[C
    H]3[CH](O)Cc4ccccc34)Cc5oc6ccccc6c5; CC(
    C)(C)NC(=O)[C@@H]1C[N@@](CC[N@]1C[C@H](C
    [C@@H](Cc2ccccc2)C(=O)N[C@H]3c4ccccc4C[C
    @H]3O)O)Cc5cc6ccccc6o5; O=C(NC2c1ccccc1C
    C2O)C(Cc3ccccc3)CC(O)CN4C(C(=O)NC(C)(C)C
    )CN(CC4)Cc6oc5ccccc5c6    		 N-[2(R)-HYDROXY-1(S)-INDANYL]-2(R)-PHENYLMETHYL-4(S)-HYDROXY-5-[4-[2-BENZOFURANYLMETHYL]-2(S)-[TERT-BUTYLAMINOCARBONYL]-PIPERAZINYL]-PENTANEAMIDE;
    L-756,423
    27795
    L76
    CHEMBL4303434
    ZINC000027440858    		 1 C26 H28 F7 N5 O2 InChI=1S/C26H28F7N5O2/c1-
    15(17-10-18(25(28,29)30)1
    2-19(11-17)26(31,32)33)40
    -24-23(16-4-6-20(27)7-5-1
    6)38(8-9-39-24)14-22-21(1
    3-37(2)3)34-36-35-22/h4-7
    ,10-12,15,23-24H,8-9,13-1
    4H2,1-3H3,(H,34,35,36)/t1
    5-,23+,24-/m1/s1;
    USRYEHHMJIRICK-ZNZBMKLDSA-N    		 C[C@@H](O[C@H]1OCCN(Cc2nn[nH]c2CN(C)C)[C
    @H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)
    (F)F; CC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)OC
    2C(N(CCO2)Cc3c([nH]nn3)CN(C)C)c4ccc(cc4)
    F; C[CH](O[CH]1OCCN(Cc2nn[nH]c2CN(C)C)[C
    H]1c3ccc(F)cc3)c4cc(cc(c4)C(F)(F)F)C(F)(
    F)F; C[C@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F
    )O[C@@H]2[C@@H](N(CCO2)Cc3c([nH]nn3)CN(C
    )C)c4ccc(cc4)F; Fc1ccc(cc1)C2N(CCOC2OC(C
    )c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc4c(CN(C)
    C)nnn4    		 1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine
    27796
    L77    		 1 C22 H15 Cl F4 N2 O3 S InChI=1S/C22H15ClF4N2O3S/
    c23-17-5-2-6-18(24)20(17)
    21(30)28-15-8-7-13-9-10-2
    9(19(13)12-15)33(31,32)16
    -4-1-3-14(11-16)22(25,26)
    27/h1-8,11-12H,9-10H2,(H,
    28,30);
    QZUQDSDXWBNSPD-UHFFFAOYSA-N    		 c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O
    )c4c(cccc4Cl)F)C(F)(F)F; Fc1cccc(Cl)c1C(
    =O)Nc2ccc3CCN(c3c2)[S](=O)(=O)c4cccc(c4)
    C(F)(F)F; N(C(=O)c1c(cccc1Cl)F)c2cc3N(CC
    c3cc2)S(=O)(=O)c4cc(ccc4)C(F)(F)F    		 2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide
    27797
    L79    		 1 C25 H30 O3 InChI=1S/C25H30O3/c1-24(2
    )12-13-25(3,4)21-14-16(8-
    10-20(21)24)18-6-5-7-22-1
    9(18)15-17(28-22)9-11-23(
    26)27/h5-11,14,17,19,22H,
    12-13,15H2,1-4H3,(H,26,27
    )/b11-9+/t17-,19?,22?/m1/
    s1;
    WFLQBFXZEVUXMT-UEOKTHRPSA-N    		 CC1(CCC(c2c1ccc(c2)C3=CC=CC4C3CC(O4)C=CC
    (=O)O)(C)C)C; CC1(CCC(c2c1ccc(c2)C3=CC=C
    C4C3CC(O4)\C=C\C(=O)O)(C)C)C; O=C(O)\C=C
    \C3OC4C=CC=C(c1ccc2c(c1)C(C)(C)CCC2(C)C)
    C4C3; CC1(C)CCC(C)(C)c2cc(ccc12)C3=CC=C[
    C@@H]4O[C@@H](C[C@H]34)\C=C\C(O)=O; CC1(
    C)CCC(C)(C)c2cc(ccc12)C3=CC=C[CH]4O[CH](
    C[CH]34)C=CC(O)=O    		 (S)-(2E)-3[4-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-2-NAPHTHALENYL)TETRAHYDRO-1-BENZOFURAN-2-YL]-2-PROPENOIC ACID
    27798
    L7A
    CHEMBL1738828    		 1 C17 H13 N3 O2 InChI=1S/C17H13N3O2/c21-1
    6(13-4-2-1-3-5-13)20-15-1
    0-14(11-19-17(15)22)12-6-
    8-18-9-7-12/h1-11H,(H,19,
    22)(H,20,21);
    KASWEFFYPLWMCM-UHFFFAOYSA-N    		 O=C1NC=C(C=C1NC(=O)c2ccccc2)c3ccncc3; c1
    ccc(cc1)C(=O)NC2=CC(=CNC2=O)c3ccncc3; O=
    C2C(NC(=O)c1ccccc1)=CC(=CN2)c3ccncc3    		 N-(6-oxo-1,6-dihydro-3,4'-bipyridin-5-yl)benzamide;
    3-Benzoylamino-5-(pyridin-4-yl)-(1H)-pyridin-2-one
    27799
    L7C    		 2 C19 H20 F N3 O2 InChI=1S/C19H20FN3O2/c20-
    16-6-2-1-5-14(16)8-9-18(2
    4)23-12-10-15(13-23)19(25
    )22-17-7-3-4-11-21-17/h1-
    7,11,15H,8-10,12-13H2,(H,
    21,22,25)/t15-/m1/s1;
    APMPJDBWBVVBBD-OAHLLOKOSA-N    		 c1ccc(c(c1)CCC(=O)N2CC[C@H](C2)C(=O)Nc3c
    cccn3)F; c1ccc(c(c1)CCC(=O)N2CCC(C2)C(=O
    )Nc3ccccn3)F; O=C(Nc1ccccn1)C1CCN(C1)C(=
    O)CCc1ccccc1F; Fc1ccccc1CCC(=O)N2CC[CH](
    C2)C(=O)Nc3ccccn3; Fc1ccccc1CCC(=O)N2CC[
    C@H](C2)C(=O)Nc3ccccn3    		 (3R)-1-[3-(2-fluorophenyl)propanoyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide
    27800
    L7D
    CHEMBL4591380    		 2 C20 H17 F7 O3 S InChI=1S/C20H17F7O3S/c21-
    15-7-9-16(10-8-15)31(29,3
    0)17(11-1-2-12-17)13-3-5-
    14(6-4-13)18(28,19(22,23)
    24)20(25,26)27/h3-10,28H,
    1-2,11-12H2;
    BANKSZZTXXTYRE-UHFFFAOYSA-N    		 c1cc(ccc1C2(CCCC2)S(=O)(=O)c3ccc(cc3)F)C
    (C(F)(F)F)(C(F)(F)F)O; c3c(ccc(S(C1(CCCC
    1)c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F)F)(=O)=
    O)c3)F; OC(c1ccc(cc1)C2(CCCC2)[S](=O)(=O
    )c3ccc(F)cc3)(C(F)(F)F)C(F)(F)F    		 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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