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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    26801 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
    26802 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
    26803 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
    26804 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
    26805 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
    26806 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
    26807 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
    26808 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
    26809 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
    26810 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
    26811 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
    26812 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
    26813 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
    26814 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
    26815 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
    26816 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
    26817 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
    26818 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
    26819 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
    26820 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
    26821 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
    26822 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
    26823 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
    26824 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
    26825 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
    26826 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
    26827 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
    26828 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
    26829 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)
    26830 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
    26831 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
    26832 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
    26833 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
    26834 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
    26835 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
    26836 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
    26837 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
    26838 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
    26839 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
    26840 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
    26841 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
    26842 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
    26843 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+)
    26844 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
    26845 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
    26846 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
    26847 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
    26848 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
    26849 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
    26850 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
    26851 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
    26852 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
    26853 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
    26854 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
    26855 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
    26856 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
    26857 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
    26858 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
    26859 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
    26860 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
    26861 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
    26862 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
    26863 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
    26864 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
    26865 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
    26866 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
    26867 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
    26868 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
    26869 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
    26870 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
    26871 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
    26872 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
    26873 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
    26874 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
    26875 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
    26876 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
    26877 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
    26878 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
    26879 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
    26880 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
    26881 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
    26882 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
    26883 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
    26884 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
    26885 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
    26886 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
    26887 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
    26888 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
    26889 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
    26890 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
    26891 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
    26892 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
    26893 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
    26894 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
    26895 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
    26896 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
    26897 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
    26898 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
    26899 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
    26900 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
    26901 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
    26902 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
    26903 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
    26904 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
    26905 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
    26906 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
    26907 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
    26908 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
    26909 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
    26910 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
    26911 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
    26912 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
    26913 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
    26914 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
    26915 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
    26916 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
    26917 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
    26918 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
    26919 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
    26920 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
    26921 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
    26922 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
    26923 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
    26924 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
    26925 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
    26926 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
    26927 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
    26928 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
    26929 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
    26930 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
    26931 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
    26932 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
    26933 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
    26934 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
    26935 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
    26936 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
    26937 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
    26938 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
    26939 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
    26940 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
    26941 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
    26942 L7F 1 C14 H18 N2 O InChI=1S/C14H18N2O/c1-10-
    4-6-15-9-12(10)16-13(17)8
    -14-5-2-3-11(14)7-14/h4,6
    ,9,11H,2-3,5,7-8H2,1H3,(H
    ,16,17)/t11-,14+/m1/s1;
    ZVPGUVBZPWGJPX-RISCZKNCSA-N    		 O=C(Nc1cnccc1C)CC12CC2CCC1; Cc1ccncc1NC(
    =O)C[C@@]23CCC[C@@H]2C3; Cc1ccncc1NC(=O)
    CC23CCCC2C3; Cc1ccncc1NC(=O)C[C]23CCC[CH
    ]2C3    		 2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide
    26943 L7G
    CHEMBL3593415
    ZINC000230838965    		 4 C23 H31 N5 O3 S2 InChI=1S/C23H31N5O3S2/c1-
    14(2)19-20(30)26-16(6-4-5
    -9-32)11-18(29)25-12-17-1
    0-15(7-8-24-17)21-28-23(3
    ,13-33-21)22(31)27-19/h4,
    6-8,10,14,16,19,32H,5,9,1
    1-13H2,1-3H3,(H,25,29)(H,
    26,30)(H,27,31)/b6-4+/t16
    -,19+,23+/m1/s1;
    KTHSULHRWFVWHD-GZGVDZSUSA-N    		 CC(C)[CH]1NC(=O)[C]2(C)CSC(=N2)c3ccnc(CN
    C(=O)C[CH](NC1=O)C=CCCS)c3; CC(C)[C@@H]1
    NC(=O)[C@]2(C)CSC(=N2)c3ccnc(CNC(=O)C[C@
    H](NC1=O)/C=C/CCS)c3; CC(C)[C@H]1C(=O)N[
    C@@H](CC(=O)NCc2cc(ccn2)C3=N[C@@](CS3)(C
    (=O)N1)C)/C=C/CCS; CC(C)C1C(=O)NC(CC(=O)
    NCc2cc(ccn2)C3=NC(CS3)(C(=O)N1)C)C=CCCS;
    O=C2NCc1nccc(c1)C3=NC(C(=O)NC(C(=O)NC(/
    C=C/CCS)C2)C(C)C)(C)CS3    		 (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,17,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione
    26944 L7H
    CHEMBL4519023    		 1 C23 H25 F3 N4 O3 InChI=1S/C23H25F3N4O3/c1-
    12(14-6-15(23(24,25)26)8-
    16(27)7-14)28-22-18-9-21(
    33-17-4-5-32-11-17)20(31-
    3)10-19(18)29-13(2)30-22/
    h6-10,12,17H,4-5,11,27H2,
    1-3H3,(H,28,29,30)/t12-,1
    7+/m1/s1;
    XVFDNRYZXDHTHT-PXAZEXFGSA-N    		 Cc1nc2cc(c(cc2c(n1)NC(C)c3cc(cc(c3)N)C(F
    )(F)F)OC4CCOC4)OC; COc1cc2nc(C)nc(N[C@H]
    (C)c3cc(N)cc(c3)C(F)(F)F)c2cc1O[C@H]4CCO
    C4; COc1cc2nc(C)nc(N[CH](C)c3cc(N)cc(c3)
    C(F)(F)F)c2cc1O[CH]4CCOC4; Cc1nc2cc(c(cc
    2c(n1)N[C@H](C)c3cc(cc(c3)N)C(F)(F)F)O[C
    @H]4CCOC4)OC    		 ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-7-methoxy-2-methyl-6-[(3~{S})-oxolan-3-yl]oxy-quinazolin-4-amine
    26945 L7I
    CHEMBL3448046    		 2 C14 H15 F N4 O2 S InChI=1S/C14H15FN4O2S/c1-
    22(20,21)19-7-10(8-19)13-
    12(6-17-14(16)18-13)9-2-4
    -11(15)5-3-9/h2-6,10H,7-8
    H2,1H3,(H2,16,17,18);
    TXIPIRKCLIOFPK-UHFFFAOYSA-N    		 O=S(C)(=O)N1CC(C1)c1nc(N)ncc1c1ccc(F)cc1
    ; CS(=O)(=O)N1CC(C1)c2c(cnc(n2)N)c3ccc(c
    c3)F; C[S](=O)(=O)N1CC(C1)c2nc(N)ncc2c3c
    cc(F)cc3    		 5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine
    26946 L7J 1 C21 H15 Cl2 F3 N2 O3 S InChI=1S/C21H15Cl2F3N2O3S
    /c22-18-10-27-11-19(23)17
    (18)12-31-15-5-4-13-6-7-2
    8(20(13)9-15)32(29,30)16-
    3-1-2-14(8-16)21(24,25)26
    /h1-5,8-11H,6-7,12H2;
    PXLLMOZEQWSZPR-UHFFFAOYSA-N    		 FC(F)(F)c1cccc(c1)[S](=O)(=O)N2CCc3ccc(O
    Cc4c(Cl)cncc4Cl)cc23; c1(cc(ccc1)C(F)(F)
    F)S(N3CCc2ccc(cc23)OCc4c(cncc4Cl)Cl)(=O)
    =O; c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)O
    Cc4c(cncc4Cl)Cl)C(F)(F)F    		 6-[(3,5-dichloropyridin-4-yl)methoxy]-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indole
    26947 L7K 1 C16 H24 N6 InChI=1S/C16H24N6/c17-18-
    15(14-9-5-2-6-10-14)16-19
    -20-21-22(16)12-11-13-7-3
    -1-4-8-13/h1,3-4,7-8,14-1
    5,18H,2,5-6,9-12,17H2/t15
    -/m1/s1;
    RYAQXBFFYZPWMF-OAHLLOKOSA-N    		 c1ccc(cc1)CCn2c(nnn2)C(C3CCCCC3)NN; c1cc
    c(cc1)CCn2c(nnn2)[C@@H](C3CCCCC3)NN; NN[
    CH](C1CCCCC1)c2nnnn2CCc3ccccc3; NN[C@H](
    C1CCCCC1)c2nnnn2CCc3ccccc3    		 [(~{R})-cyclohexyl-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]diazane
    26948 L7L
    ZINC000618009233    		 1 C19 H27 Cl2 N3 O3 S2 InChI=1S/C19H27Cl2N3O3S2/
    c1-23(2)7-9-29-28-8-5-22-
    18(26)13-4-3-6-24(12-13)1
    9(27)14-10-15(20)17(25)16
    (21)11-14/h10-11,13,25H,3
    -9,12H2,1-2H3,(H,22,26)/t
    13-/m0/s1;
    UKBAKSHRJHOHKZ-ZDUSSCGKSA-N    		 CN(C)CCSSCCNC(=O)[CH]1CCCN(C1)C(=O)c2cc(
    Cl)c(O)c(Cl)c2; CN(C)CCSSCCNC(=O)[C@H]1C
    CCN(C1)C(=O)c2cc(Cl)c(O)c(Cl)c2; CN(C)CC
    SSCCNC(=O)C1CCCN(C1)C(=O)c2cc(c(c(c2)Cl)
    O)Cl; CN(C)CCSSCCNC(=O)[C@H]1CCCN(C1)C(=
    O)c2cc(c(c(c2)Cl)O)Cl    		 (3~{S})-1-[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbonyl-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-3-carboxamide
    26949 L7M 4 C35 H37 Cl N4 O5 S InChI=1S/C35H37ClN4O5S/c1
    -23-29(30-21-26(45-4)17-1
    8-32(30)40(23)35(42)24-13
    -15-25(36)16-14-24)22-34(
    41)37-19-5-6-20-38-46(43,
    44)33-12-8-9-27-28(33)10-
    7-11-31(27)39(2)3/h7-18,2
    1,38H,5-6,19-20,22H2,1-4H
    3,(H,37,41);
    YGEBTZVDTLWCOG-UHFFFAOYSA-N    		 c2(c1c(ccc(OC)c1)n(c2C)C(c3ccc(cc3)Cl)=O
    )CC(NCCCCNS(c4cccc5c4cccc5N(C)C)(=O)=O)=
    O; COc1ccc2n(c(C)c(CC(=O)NCCCCN[S](=O)(=
    O)c3cccc4c(cccc34)N(C)C)c2c1)C(=O)c5ccc(
    Cl)cc5; Cc1c(c2cc(ccc2n1C(=O)c3ccc(cc3)C
    l)OC)CC(=O)NCCCCNS(=O)(=O)c4cccc5c4cccc5
    N(C)C    		 2-[1-(4-chlorobenzene-1-carbonyl)-5-methoxy-2-methyl-1H-indol-3-yl]-N-[4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)butyl]acetamide
    26950 L7N 5 C11 H15 N3 O7 P InChI=1S/C11H14N3O7P/c1-6
    -10(15)8(3-13-9-5-20-14-1
    1(9)16)7(2-12-6)4-21-22(1
    7,18)19/h2-3,9,15H,4-5H2,
    1H3,(H,14,16)(H2,17,18,19
    )/p+1/b13-3+/t9-/m1/s1;
    PWALIMMCDFLLIJ-RZTFRGLUSA-O    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=[NH+]C2CONC2=
    O)O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=[NH+]/[
    C@@H]2CONC2=O)O; Cc1ncc(CO[P](O)(O)=O)c(
    C=[NH+][CH]2CONC2=O)c1O; Cc1ncc(CO[P](O)
    (O)=O)c(C=[NH+][C@@H]2CONC2=O)c1O    		 (~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylidene-[(4~{R})-3-oxidanylidene-1,2-oxazolidin-4-yl]azanium
    26951 L7O
    CHEMBL1738829
    ZINC000066157009    		 1 C22 H24 N6 O2 InChI=1S/C22H24N6O2/c1-23
    -22-24-10-9-18(27-22)16-1
    3-19(21(30)25-14-16)26-20
    (29)15-5-7-17(8-6-15)28-1
    1-3-2-4-12-28/h5-10,13-14
    H,2-4,11-12H2,1H3,(H,25,3
    0)(H,26,29)(H,23,24,27);
    MKSQDWBNZVGINB-UHFFFAOYSA-N    		 O=C2NC=C(c1nc(ncc1)NC)C=C2NC(=O)c3ccc(cc
    3)N4CCCCC4; CNc1nccc(n1)C2=CNC(=O)C(=C2)
    NC(=O)c3ccc(cc3)N4CCCCC4    		 N-{5-[2-(methylamino)pyrimidin-4-yl]-2-oxo-1,2-dihydropyridin-3-yl}-4-(piperidin-1-yl)benzamide;
    3-(4-(Piperidin-1-yl)benzoylamino)-5-(2-(methylamino)pyrimidin-4-yl)-(1H)-pyridin-2-one
    26952 L7P
    CHEMBL2137199
    ZINC000095571083    		 2 C26 H24 F7 N3 O InChI=1S/C26H24F7N3O/c27-
    23-15-21(24(37,25(28,29)3
    0)26(31,32)33)5-6-22(23)2
    0-3-1-18(2-4-20)16-35-11-
    13-36(14-12-35)17-19-7-9-
    34-10-8-19/h1-10,15,37H,1
    1-14,16-17H2;
    KVHKWAZUPPBMLL-UHFFFAOYSA-N    		 C(O)(C(F)(F)F)(c4cc(F)c(c3ccc(CN1CCN(CC1
    )Cc2ccncc2)cc3)cc4)C(F)(F)F; OC(c1ccc(c(
    F)c1)c2ccc(CN3CCN(CC3)Cc4ccncc4)cc2)(C(F
    )(F)F)C(F)(F)F; c1cc(ccc1CN2CCN(CC2)Cc3c
    cncc3)c4ccc(cc4F)C(C(F)(F)F)(C(F)(F)F)O    		 1,1,1,3,3,3-hexafluoro-2-[2-fluoro-4'-({4-[(pyridin-4-yl)methyl]piperazin-1-yl}methyl)[1,1'-biphenyl]-4-yl]propan-2-ol
    26953 L7Q 1 C17 H20 N2 O InChI=1S/C17H20N2O/c1-13-
    9-10-18-12-15(13)19-16(20
    )11-17(2,3)14-7-5-4-6-8-1
    4/h4-10,12H,11H2,1-3H3,(H
    ,19,20);
    BLCPNJMZJGFGAP-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)CC(C)(C)c1ccccc1; Cc1ccnc
    c1NC(=O)CC(C)(C)c2ccccc2    		 3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide
    26954 L7R
    CHEMBL3448145
    ZINC000257331089    		 2 C15 H18 F N5 O2 S InChI=1S/C15H18FN5O2S/c1-
    20(2)24(22,23)21-8-11(9-2
    1)14-13(7-18-15(17)19-14)
    10-3-5-12(16)6-4-10/h3-7,
    11H,8-9H2,1-2H3,(H2,17,18
    ,19);
    XRIFZYNLQSZNGC-UHFFFAOYSA-N    		 CN(C)S(=O)(=O)N1CC(C1)c2c(cnc(n2)N)c3ccc
    (cc3)F; O=S(=O)(N(C)C)N1CC(C1)c1nc(N)ncc
    1c1ccc(F)cc1; CN(C)[S](=O)(=O)N1CC(C1)c2
    nc(N)ncc2c3ccc(F)cc3    		 3-[2-amino-5-(4-fluorophenyl)pyrimidin-4-yl]-N,N-dimethylazetidine-1-sulfonamide
    26955 L7S
    ZINC000263621215    		 1 C13 H14 N2 O3 InChI=1S/C13H14N2O3/c1-2-
    15-11(16)7-10(13(15)18)8-
    4-3-5-9(6-8)12(14)17/h3-6
    ,10H,2,7H2,1H3,(H2,14,17)
    /t10-/m1/s1;
    XGUUYQHDALENIF-SNVBAGLBSA-N    		 CCN1C(=O)CC(C1=O)c2cccc(c2)C(=O)N; CCN1C
    (=O)C[C@@H](C1=O)c2cccc(c2)C(=O)N; CCN1C
    (=O)C[CH](C1=O)c2cccc(c2)C(N)=O; CCN1C(=
    O)C[C@@H](C1=O)c2cccc(c2)C(N)=O; O=C2N(C
    (=O)CC2c1cccc(C(=O)N)c1)CC    		 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide
    26956 L7T
    CHEMBL2333413
    ZINC000002576671    		 1 C6 H2 F5 N O2 S InChI=1S/C6H2F5NO2S/c7-1-
    2(8)4(10)6(15(12,13)14)5(
    11)3(1)9/h(H2,12,13,14);
    ZWVYQZBCSXCUOO-UHFFFAOYSA-N    		 c1(c(c(c(c(c1F)F)S(=O)(=O)N)F)F)F; N[S](
    =O)(=O)c1c(F)c(F)c(F)c(F)c1F    		 2,3,4,5,6-pentafluorobenzenesulfonamide
    26957 L7U
    ZINC000618008308    		 1 C26 H37 N3 O3 S2 InChI=1S/C26H37N3O3S2/c1-
    19(21-5-6-23-18-24(32-4)8
    -7-22(23)17-21)26(31)29-1
    2-9-20(10-13-29)25(30)27-
    11-15-33-34-16-14-28(2)3/
    h5-8,17-20H,9-16H2,1-4H3,
    (H,27,30)/t19-/m1/s1;
    DZVLAKKQKOIIMO-LJQANCHMSA-N    		 C[C@H](c1ccc2cc(ccc2c1)OC)C(=O)N3CCC(CC3
    )C(=O)NCCSSCCN(C)C; CC(c1ccc2cc(ccc2c1)O
    C)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C; COc1
    ccc2cc(ccc2c1)[CH](C)C(=O)N3CCC(CC3)C(=O
    )NCCSSCCN(C)C; COc1ccc2cc(ccc2c1)[C@@H](
    C)C(=O)N3CCC(CC3)C(=O)NCCSSCCN(C)C    		 ~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]-1-[(2~{R})-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
    26958 L7V
    ZINC000084422182    		 1 C16 H18 N4 O2 InChI=1S/C16H18N4O2/c21-1
    4(9-11-3-1-7-17-10-11)20-
    8-2-4-13(20)15-18-16(22-1
    9-15)12-5-6-12/h1,3,7,10,
    12-13H,2,4-6,8-9H2/t13-/m
    0/s1;
    SHUFUJKRBBPZHJ-ZDUSSCGKSA-N    		 O=C(Cc1cccnc1)N2CCC[CH]2c3noc(n3)C4CC4;
    O=C(Cc1cccnc1)N2CCC[C@H]2c3noc(n3)C4CC4;
    c1cc(cnc1)CC(=O)N2CCC[C@H]2c3nc(on3)C4C
    C4; O=C(Cc1cccnc1)N1CCCC1c1nc(on1)C1CC1;
    c1cc(cnc1)CC(=O)N2CCCC2c3nc(on3)C4CC4    		 1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one
    26959 L7W
    ZINC000019747821    		 2 C18 H18 F N3 O3 InChI=1S/C18H18FN3O3/c19-
    14-5-1-2-6-15(14)25-12-17
    (23)22-10-8-13(11-22)18(2
    4)21-16-7-3-4-9-20-16/h1-
    7,9,13H,8,10-12H2,(H,20,2
    1,24)/t13-/m0/s1;
    DDCJGHSYQAZZSQ-ZDUSSCGKSA-N    		 Fc1ccccc1OCC(=O)N2CC[C@@H](C2)C(=O)Nc3cc
    ccn3; c1ccc(c(c1)OCC(=O)N2CCC(C2)C(=O)Nc
    3ccccn3)F; O=C(Nc1ccccn1)C1CCN(C1)C(=O)C
    Oc1ccccc1F; c1ccc(c(c1)OCC(=O)N2CC[C@@H]
    (C2)C(=O)Nc3ccccn3)F; Fc1ccccc1OCC(=O)N2
    CC[CH](C2)C(=O)Nc3ccccn3    		 (3S)-1-[(2-fluorophenoxy)acetyl]-N-(pyridin-2-yl)pyrrolidine-3-carboxamide
    26960 L7X 2 C9 H17 Br O7 P2 InChI=1S/C9H17BrO7P2/c1-8
    (2)4-3-5-9(10)6-7-16-19(1
    4,15)17-18(11,12)13/h4,6H
    ,3,5,7H2,1-2H3,(H,14,15)(
    H2,11,12,13)/b9-6-;
    YMIXOXPUDYECRP-TWGQIWQCSA-N    		 CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)Br)C; CC
    (C)=CCC\C(Br)=C\CO[P](O)(=O)O[P](O)(O)=O
    ; CC(C)=CCCC(Br)=CCO[P](O)(=O)O[P](O)(O)
    =O; CC(=CCC/C(=C/COP(=O)(O)OP(=O)(O)O)/B
    r)C    		 [(2Z)-3-bromanyl-7-methyl-octa-2,6-dienyl] phosphono hydrogen phosphate
    26961 L7Y
    CHEMBL4574936
    ZINC000012670721    		 2 C23 H22 Cl N3 O3 InChI=1S/C23H22ClN3O3/c24
    -20-6-4-16(5-7-20)18-12-1
    9(22(28)26-14-18)15-25-21
    -3-1-2-17(13-21)23(29)27-
    8-10-30-11-9-27/h1-7,12-1
    4,25H,8-11,15H2,(H,26,28);
    FGOXIGQZSJLIHW-UHFFFAOYSA-N    		 c1cc(cc(c1)NCC2=CC(=CNC2=O)c3ccc(cc3)Cl)
    C(=O)N4CCOCC4; Clc1ccc(cc1)C2=CNC(=O)C(=
    C2)CNc3cccc(c3)C(=O)N4CCOCC4; Clc1ccc(cc
    1)C2=CNC(=O)C(=C2)CNc3cccc(c3)C(N4CCOCC4
    )=O    		 5-(4-chlorophenyl)-3-({[3-(morpholine-4-carbonyl)phenyl]amino}methyl)pyridin-2(1H)-one
    26962 L7Z 2 C14 H16 O2 InChI=1S/C14H16O2/c1-10-3
    -5-11(6-4-10)9-14(2)12(15
    )7-8-13(14)16/h3-6H,7-9H2
    ,1-2H3;
    XPAGRKMTCCCSPR-UHFFFAOYSA-N    		 Cc1ccc(cc1)CC2(C(=O)CCC2=O)C; Cc1ccc(CC2
    (C)C(=O)CCC2=O)cc1    		 2-methyl-2-[(4-methylphenyl)methyl]cyclopentane-1,3-dione
    26963 L80
    CHEMBL5076397    		 1 C23 H23 Cl2 F3 N6 O2 InChI=1S/C23H23Cl2F3N6O2/
    c24-14-3-11-6-29-22(32-17
    -7-30-34(21(17)25)20-5-23
    (20,27)28)31-16(11)4-13(1
    4)12-1-2-33(8-15(12)26)18
    -9-36-10-19(18)35/h3-4,6-
    7,12,15,18-20,35H,1-2,5,8
    -10H2,(H,29,31,32)/t12-,1
    5+,18+,19-,20+/m0/s1;
    JCYBYWFFRFKLHB-FYTJDIJESA-N    		 OC1COCC1N1CC(F)C(CC1)c1cc2nc(Nc3cnn(C4CC
    4(F)F)c3Cl)ncc2cc1Cl; c1c2cnc(nc2cc(c1Cl
    )[C@@H]3CCN(C[C@H]3F)[C@@H]4COC[C@@H]4O)
    Nc5cnn(c5Cl)[C@@H]6CC6(F)F; O[C@H]1COC[C
    @H]1N2CC[C@H]([C@H](F)C2)c3cc4nc(Nc5cnn(
    [C@@H]6CC6(F)F)c5Cl)ncc4cc3Cl; c1c2cnc(n
    c2cc(c1Cl)C3CCN(CC3F)C4COCC4O)Nc5cnn(c5C
    l)C6CC6(F)F; O[CH]1COC[CH]1N2CC[CH]([CH]
    (F)C2)c3cc4nc(Nc5cnn([CH]6CC6(F)F)c5Cl)n
    cc4cc3Cl    		 (3R,4R)-4-{(3S,4S)-4-[6-chloro-2-({5-chloro-1-[(1R)-2,2-difluorocyclopropyl]-1H-pyrazol-4-yl}amino)quinazolin-7-yl]-3-fluoropiperidin-1-yl}oxolan-3-ol
    26964 L81
    CHEMBL1215538
    ZINC000058575992    		 2 C19 H20 N2 O2 InChI=1S/C19H20N2O2/c1-19
    (2)11-20-16-8-17(22)14(7-
    15(16)19)18(23)21-9-12-5-
    3-4-6-13(12)10-21/h3-8,20
    ,22H,9-11H2,1-2H3;
    ATFBTSVSJAEVMV-UHFFFAOYSA-N    		 CC1(CNc2c1cc(c(c2)O)C(=O)N3Cc4ccccc4C3)C
    ; CC1(C)CNc2cc(O)c(cc12)C(=O)N3Cc4ccccc4
    C3; O=C(c1cc2c(cc1O)NCC2(C)C)N4Cc3ccccc3
    C4    		 1,3-DIHYDROISOINDOL-2-YL-(6-HYDROXY-3,3-DIMETHYL-1,2-DIHYDROINDOL-5-YL)METHANONE
    26965 L82
    CHEMBL5280464    		 1 C25 H26 N6 O2 S InChI=1S/C25H26N6O2S/c32-
    24(33)22(13-8-16-31-23(28
    -29-25(31)34)19-9-2-1-3-1
    0-19)30(17-20-11-4-6-14-2
    6-20)18-21-12-5-7-15-27-2
    1/h1-7,9-12,14-15,22H,8,1
    3,16-18H2,(H,29,34)(H,32,
    33)/t22-/m0/s1;
    DXFIRCHAKLZTEP-QFIPXVFZSA-N    		 c1ccc(cc1)C2=NNC(=S)N2CCC[C@@H](C(=O)O)N
    (Cc3ccccn3)Cc4ccccn4; OC(=O)[C@H](CCCN1C
    (=S)NN=C1c2ccccc2)N(Cc3ccccn3)Cc4ccccn4;
    c1ccc(cc1)C2=NNC(=S)N2CCCC(C(=O)O)N(Cc3
    ccccn3)Cc4ccccn4; OC(=O)[CH](CCCN1C(=S)N
    N=C1c2ccccc2)N(Cc3ccccn3)Cc4ccccn4    		 (2~{S})-2-[bis(pyridin-2-ylmethyl)amino]-5-(3-phenyl-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl)pentanoic acid
    26966 L83 1 C14 H14 Cl N3 O InChI=1S/C14H14ClN3O/c1-9
    -5-6-17-14(16)13(9)18-12(
    19)8-10-3-2-4-11(15)7-10/
    h2-7H,8H2,1H3,(H2,16,17)(
    H,18,19);
    HMBNRINOSXPSCN-UHFFFAOYSA-N    		 Cc1ccnc(N)c1NC(=O)Cc2cccc(Cl)c2; Nc1nccc
    (C)c1NC(=O)Cc1cccc(Cl)c1; Cc1ccnc(c1NC(=
    O)Cc2cccc(c2)Cl)N    		 N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide
    26967 L84 4 C34 H37 F3 N2 O6 S InChI=1S/C34H37F3N2O6S/c3
    5-34(36,37)22-39(25-9-15-
    28(16-10-25)44-20-4-19-38
    -17-2-1-3-18-38)46(42,43)
    30-21-29-31(23-5-11-26(40
    )12-6-23)32(33(30)45-29)2
    4-7-13-27(41)14-8-24/h5-1
    6,29-30,33,40-41H,1-4,17-
    22H2/t29-,30+,33+/m0/s1;
    JOYBDOPCMKMEKG-AARCXHMLSA-N    		 Oc1ccc(cc1)C2=C([C@@H]3O[C@H]2C[C@H]3[S]
    (=O)(=O)N(CC(F)(F)F)c4ccc(OCCCN5CCCCC5)c
    c4)c6ccc(O)cc6; c1cc(ccc1C2=C(C3C(CC2O3)
    S(=O)(=O)N(CC(F)(F)F)c4ccc(cc4)OCCCN5CCC
    CC5)c6ccc(cc6)O)O; c1cc(ccc1C2=C([C@H]3[
    C@@H](C[C@@H]2O3)S(=O)(=O)N(CC(F)(F)F)c4
    ccc(cc4)OCCCN5CCCCC5)c6ccc(cc6)O)O; Oc1c
    cc(cc1)C2=C([CH]3O[CH]2C[CH]3[S](=O)(=O)
    N(CC(F)(F)F)c4ccc(OCCCN5CCCCC5)cc4)c6ccc
    (O)cc6; O=S(=O)(C1CC2OC1C(=C2c1ccc(O)cc1
    )c1ccc(O)cc1)N(CC(F)(F)F)c1ccc(OCCCN2CCC
    CC2)cc1    		 (1S,2R,4S,5S,6S)-5,6-bis(4-hydroxyphenyl)-N-{4-[3-(piperidin-1-yl)propoxy]phenyl}-N-(2,2,2-trifluoroethyl)-7-oxabicyclo[2.2.1]heptane-2-sulfonamide
    26968 L85
    ZINC000004404103    		 1 C12 H10 N2 O4 S InChI=1S/C12H10N2O4S/c15-
    11-5-1-9(2-6-11)13-14-10-
    3-7-12(8-4-10)19(16,17)18
    /h1-8,15H,(H,16,17,18)/b1
    4-13+;
    CNYMBHPFLJWLJW-BUHFOSPRSA-N    		 c1cc(ccc1N=Nc2ccc(cc2)S(=O)(=O)O)O; c1cc
    (ccc1/N=N/c2ccc(cc2)S(=O)(=O)O)O; O=S(=O
    )(O)c2ccc(/N=N/c1ccc(O)cc1)cc2; Oc1ccc(c
    c1)N=Nc2ccc(cc2)[S](O)(=O)=O    		 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid
    26969 L86
    CHEMBL327421
    ZINC000003991144    		 1 C27 H33 Cl N6 O2 InChI=1S/C27H33ClN6O2/c28
    -24-18-32-26-27(36)34(24)
    19-25(35)31-16-22-10-5-4-
    9-21(22)11-14-29-12-6-13-
    30-17-23(33-26)15-20-7-2-
    1-3-8-20/h1-5,7-10,18,23,
    29-30H,6,11-17,19H2,(H,31
    ,35)(H,32,33)/t23-/m0/s1;
    LYVSCNRRXJZCRV-QHCPKHFHSA-N    		 ClC1=CN=C2N[CH](CNCCCNCCc3ccccc3CNC(=O)C
    N1C2=O)Cc4ccccc4; ClC1=CN=C2N[C@H](CNCCC
    NCCc3ccccc3CNC(=O)CN1C2=O)Cc4ccccc4; c1c
    cc(cc1)C[C@H]2CNCCCNCCc3ccccc3CNC(=O)CN4
    C(=CN=C(C4=O)N2)Cl; c1ccc(cc1)CC2CNCCCNC
    Cc3ccccc3CNC(=O)CN4C(=CN=C(C4=O)N2)Cl; O
    =C3NCc1ccccc1CCNCCCNCC(NC2=NC=C(Cl)N(C2=
    O)C3)Cc4ccccc4    		 (11S)-11-BENZYL-6-CHLORO-1,2,10,11,12,13,14,15,16,17,18,19-DODECAHYDRO-5,9-METHANO-2,5,8,10,13,17-BENZOHEXAAZACYCLOHENI COSINE-3,24-DIONE;
    COMPOUND 31
    26970 L87
    CHEMBL2333603
    ZINC000095587400    		 1 C19 H21 N5 O2 InChI=1S/C19H21N5O2/c1-4-
    5-10-23-14(13-9-7-6-8-12(
    13)2)11-24-15-16(20-18(23
    )24)22(3)19(26)21-17(15)2
    5/h6-9,11H,4-5,10H2,1-3H3
    ,(H,21,25,26);
    KCEWOOVCWCPFCY-UHFFFAOYSA-N    		 CCCCn1c(cn2c1nc3N(C)C(=O)NC(=O)c23)c4ccc
    cc4C; CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c
    4ccccc4C; O=C2c1n4c(nc1N(C(=O)N2)C)n(c(c
    3ccccc3C)c4)CCCC    		 8-butyl-1-methyl-7-(2-methylphenyl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
    26971 L88 1 C58 H66 N4 O11 S2 InChI=1S/C58H66N4O11S2/c6
    3-53(25-17-41-13-19-45(20
    -14-41)51-37-47(39-74-51)
    43-9-3-1-4-10-43)61-49(23
    -27-55(65)66)57(69)59-29-
    7-31-71-33-35-73-36-34-72
    -32-8-30-60-58(70)50(24-2
    8-56(67)68)62-54(64)26-18
    -42-15-21-46(22-16-42)52-
    38-48(40-75-52)44-11-5-2-
    6-12-44/h1-6,9-16,19-22,3
    7-40,49-50H,7-8,17-18,23-
    36H2,(H,59,69)(H,60,70)(H
    ,61,63)(H,62,64)(H,65,66)
    (H,67,68)/t49-,50-/m1/s1;
    PAOWMYIFDMOPGM-CDKYPKJRSA-N    		 c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)NC(C
    CC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)C(CCC(=
    O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5)c6ccccc6;
    O=C(O)CCC(NC(=O)CCc3ccc(c2scc(c1ccccc1)
    c2)cc3)C(=O)NCCCOCCOCCOCCCNC(=O)C(NC(=O)
    CCc6ccc(c5scc(c4ccccc4)c5)cc6)CCC(=O)O;
    c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@
    H](CCC(=O)O)C(=O)NCCCOCCOCCOCCCNC(=O)[C@
    @H](CCC(=O)O)NC(=O)CCc4ccc(cc4)c5cc(cs5)
    c6ccccc6; OC(=O)CC[CH](NC(=O)CCc1ccc(cc1
    )c2scc(c2)c3ccccc3)C(=O)NCCCOCCOCCOCCCNC
    (=O)[CH](CCC(O)=O)NC(=O)CCc4ccc(cc4)c5sc
    c(c5)c6ccccc6; OC(=O)CC[C@@H](NC(=O)CCc1
    ccc(cc1)c2scc(c2)c3ccccc3)C(=O)NCCCOCCOC
    COCCCNC(=O)[C@@H](CCC(O)=O)NC(=O)CCc4ccc
    (cc4)c5scc(c5)c6ccccc6    		 (4R,22R)-5,21-dioxo-4,22-bis({3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}amino)-10,13,16-trioxa-6,20-diazapentacosane-1,25-dioic acid
    26972 L89
    CHEMBL354077
    DB11640
    ZINC000000164000    		 0 C5 H7 N3 InChI=1S/C5H7N3/c6-4-1-2-
    8-3-5(4)7/h1-3H,7H2,(H2,6
    ,8);
    OYTKINVCDFNREN-UHFFFAOYSA-N    		 c1cncc(c1N)N; Nc1ccncc1N pyridine-3,4-diamine
    26973 L8A
    CHEMBL3918723    		 2 C26 H26 F7 N3 O5 S InChI=1S/C26H26F7N3O5S/c1
    -17(37)34-12-14-35(15-13-
    34)22(38)36-11-10-23(16-3
    6,42(40,41)21-8-6-20(27)7
    -9-21)18-2-4-19(5-3-18)24
    (39,25(28,29)30)26(31,32)
    33/h2-9,39H,10-16H2,1H3/t
    23-/m0/s1;
    LGFLFKROQCMBLV-QHCPKHFHSA-N    		 CC(=O)N1CCN(CC1)C(=O)N2CC[C](C2)(c3ccc(c
    c3)C(O)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4c
    cc(F)cc4; c1c(C(C(F)(F)F)(C(F)(F)F)O)ccc
    (c1)C3(CN(C(=O)N2CCN(C(=O)C)CC2)CC3)S(c4
    ccc(F)cc4)(=O)=O; CC(=O)N1CCN(CC1)C(=O)N
    2CCC(C2)(c3ccc(cc3)C(C(F)(F)F)(C(F)(F)F)
    O)S(=O)(=O)c4ccc(cc4)F; CC(=O)N1CCN(CC1)
    C(=O)N2CC[C@](C2)(c3ccc(cc3)C(C(F)(F)F)(
    C(F)(F)F)O)S(=O)(=O)c4ccc(cc4)F; CC(=O)N
    1CCN(CC1)C(=O)N2CC[C@](C2)(c3ccc(cc3)C(O
    )(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c4ccc(F)c
    c4    		 1-(4-{(3R)-3-[(4-fluorophenyl)sulfonyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]pyrrolidine-1-carbonyl}piperazin-1-yl)ethan-1-one
    26974 L8B
    CHEMBL3108881
    ZINC000095921112    		 4 C21 H22 N4 O5 InChI=1S/C21H22N4O5/c1-13
    -6-17(30-24-13)8-20(27)25
    -11-16(26)7-18(25)21(28)2
    3-9-14-2-4-15(5-3-14)19-1
    0-22-12-29-19/h2-6,10,12,
    16,18,26H,7-9,11H2,1H3,(H
    ,23,28)/t16-,18+/m1/s1;
    HFCLIEBJTGJKSV-AEFFLSMTSA-N    		 Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC
    c3ccc(cc3)c4cnco4)O; Cc1cc(CC(=O)N2C[C@H
    ](O)C[C@H]2C(=O)NCc3ccc(cc3)c4ocnc4)on1;
    Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc
    3)c4cnco4)O; Cc1cc(CC(=O)N2C[CH](O)C[CH]
    2C(=O)NCc3ccc(cc3)c4ocnc4)on1; O=C(N3C(C
    (=O)NCc2ccc(c1ocnc1)cc2)CC(O)C3)Cc4onc(c
    4)C    		 (4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-N-[4-(1,3-OXAZOL-5-YL)BENZYL]-L-PROLINAMIDE
    26975 L8C
    CHEMBL5203383    		 1 C13 H19 N3 O2 InChI=1S/C13H19N3O2/c1-15
    -6-8-16(9-7-15)10-11-2-4-
    12(5-3-11)13(17)14-18/h2-
    5,18H,6-10H2,1H3,(H,14,17
    );
    VMDZCGSWWDTUMR-UHFFFAOYSA-N    		 CN1CCN(CC1)Cc2ccc(cc2)C(=O)NO; ONC(=O)c1
    ccc(cc1)CN1CCN(C)CC1    		 N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
    26976 L8D
    CHEMBL5208359    		 2 C23 H24 N6 O3 InChI=1S/C23H24N6O3/c1-28
    -18-13-24-20(32-2)12-15(1
    8)8-9-16(23(28)31)25-22(3
    0)21-26-19-11-10-17(29(19
    )27-21)14-6-4-3-5-7-14/h3
    -7,12-13,16-17H,8-11H2,1-
    2H3,(H,25,30)/t16-,17-/m0
    /s1;
    JXFYROJRZJPKTQ-IRXDYDNUSA-N    		 CN1c2cnc(cc2CCC(C1=O)NC(=O)c3nc4n(n3)C(C
    C4)c5ccccc5)OC; COc1cc2CC[C@H](NC(=O)c3n
    n4[C@@H](CCc4n3)c5ccccc5)C(=O)N(C)c2cn1;
    c1c2c(cc(OC)n1)CCC(C(N2C)=O)NC(=O)c3nc5
    n(n3)C(c4ccccc4)CC5; CN1c2cnc(cc2CC[C@@H
    ](C1=O)NC(=O)c3nc4n(n3)[C@@H](CC4)c5cccc
    c5)OC; COc1cc2CC[CH](NC(=O)c3nn4[CH](CCc
    4n3)c5ccccc5)C(=O)N(C)c2cn1    		 (5S)-N-[(3S)-7-methoxy-1-methyl-2-oxo-2,3,4,5-tetrahydro-1H-pyrido[3,4-b]azepin-3-yl]-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazole-2-carboxamide
    26977 L8F 1 C19 H26 N4 O2 InChI=1S/C19H26N4O2/c1-14
    (24)20-7-6-16-12-21-19-17
    (4-3-5-18(16)19)13-22-8-1
    0-23(11-9-22)15(2)25/h3-5
    ,12,21H,6-11,13H2,1-2H3,(
    H,20,24);
    KKPILUQDBWPVTM-UHFFFAOYSA-N    		 CC(=O)NCCc1c[nH]c2c(CN3CCN(CC3)C(C)=O)cc
    cc12; CC(=O)NCCc1c[NH]c2c(CN3CCN(CC3)C(C
    )=O)cccc21; CC(=O)NCCc1c[nH]c2c1cccc2CN3
    CCN(CC3)C(=O)C    		 N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide
    26978 L8G
    CHEMBL3593413
    ZINC000230838923    		 4 C23 H31 N5 O3 S2 InChI=1S/C23H31N5O3S2/c1-
    14(2)19-20(30)26-15(7-4-5
    -10-32)11-18(29)24-12-16-
    8-6-9-17(25-16)21-28-23(3
    ,13-33-21)22(31)27-19/h4,
    6-9,14-15,19,32H,5,10-13H
    2,1-3H3,(H,24,29)(H,26,30
    )(H,27,31)/b7-4+/t15-,19+
    ,23+/m1/s1;
    PFXMQZVRILDSDW-XUFAZQDHSA-N    		 CC(C)C1C(=O)NC(CC(=O)NCc2cccc(n2)C3=NC(C
    S3)(C(=O)N1)C)C=CCCS; CC(C)[CH]1NC(=O)[C
    ]2(C)CSC(=N2)c3cccc(CNC(=O)C[CH](NC1=O)C
    =CCCS)n3; CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(
    =N2)c3cccc(CNC(=O)C[C@H](NC1=O)\C=C\CCS)
    n3; CC(C)[C@H]1C(=O)N[C@@H](CC(=O)NCc2cc
    cc(n2)C3=N[C@@](CS3)(C(=O)N1)C)/C=C/CCS;
    O=C1NC(C(=O)NC(/C=C/CCS)CC(=O)NCc3nc(C2
    =NC1(C)CS2)ccc3)C(C)C    		 (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3-thia-7,10,14,20,21-pentaazatricyclo[14.3.1.1~2,5~]henicosa-1(20),2(21),16,18-tetraene-6,9,13-trione
    26979 L8H
    ZINC000000403090    		 0 C11 H11 N O InChI=1S/C11H11NO/c1-13-1
    1-7-9(12)6-8-4-2-3-5-10(8
    )11/h2-7H,12H2,1H3;
    SFKZPTYRENGBTJ-UHFFFAOYSA-N    		 COc1cc(cc2c1cccc2)N; COc1cc(N)cc2ccccc12
    ; O(c2cc(cc1ccccc12)N)C    		 4-methoxynaphthalen-2-amine
    26980 L8I
    CHEMBL1233942
    ZINC000058638744    		 1 C23 H21 F N4 O InChI=1S/C23H21FN4O/c1-28
    -11-23(12-28)10-26-22(29)
    19-15-7-6-13-9-25-18(14-4
    -2-3-5-17(14)24)8-16(13)2
    0(15)27-21(19)23/h2-5,8-9
    ,27H,6-7,10-12H2,1H3,(H,2
    6,29);
    XZZOJFOFCDHYRX-UHFFFAOYSA-N    		 CN1CC2(C1)CNC(=O)c3c2[nH]c-4c3CCc5c4cc(n
    c5)c6ccccc6F; CN1CC2(CNC(=O)c3c4CCc5cnc(
    cc5c4[nH]c23)c6ccccc6F)C1; Fc1ccccc1c2nc
    c6c(c2)c5nc3c(C(=O)NCC34CN(C)C4)c5CC6    		 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one
    26981 L8J
    CHEMBL4550875    		 3 C10 H8 Br2 N O4 P InChI=1S/C10H8Br2NO4P/c11
    -6-2-7(12)10-5(4-18(15,16
    )17)1-9(14)13-8(10)3-6/h1
    -3H,4H2,(H,13,14)(H2,15,1
    6,17);
    YMPWKSWKTYLHON-UHFFFAOYSA-N    		 O[P](O)(=O)CC1=CC(=O)Nc2cc(Br)cc(Br)c12;
    c1c(cc(c2c1NC(=O)C=C2CP(=O)(O)O)Br)Br;
    c1(cc(Br)c2c(c1)NC(C=C2CP(O)(O)=O)=O)Br    		 [(5,7-dibromo-2-oxo-1,2-dihydroquinolin-4-yl)methyl]phosphonic acid
    26982 L8K 10 C19 H24 N2 O S2 InChI=1S/C19H24N2OS2/c1-5
    -6-14-16-13(10-23-14)8-7-
    12-9-20-18(21-17(12)16)24
    -11-15(22)19(2,3)4/h9-10H
    ,5-8,11H2,1-4H3;
    KUBOQSZSJIRZFQ-UHFFFAOYSA-N    		 CCCc1c-2c(cs1)CCc3c2nc(nc3)SCC(=O)C(C)(C
    )C; CCCc1scc2CCc3cnc(SCC(=O)C(C)(C)C)nc3
    c12; CC(C)(C)C(=O)CSc1nc2c(CCc3csc(CCC)c
    23)cn1    		 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
    26983 L8L 2 C31 H38 N4 O4 S2 InChI=1S/C31H38N4O4S2/c1-
    3-12-34-19-26(22-4-5-27-2
    4(15-22)20(2)17-35(27)18-
    21-6-10-32-11-7-21)29-25(
    31(34)37)16-28(40-29)30(3
    6)33-23-8-13-41(38,39)14-
    9-23/h4-5,15-17,19,21,23,
    32H,3,6-14,18H2,1-2H3,(H,
    33,36);
    VJSZEIHADFWXCN-UHFFFAOYSA-N    		 CCCN1C=C(c2c(cc(s2)C(=O)NC3CCS(=O)(=O)CC
    3)C1=O)c4ccc5c(c4)c(cn5CC6CCNCC6)C; CCCN
    1C=C(c2ccc3n(CC4CCNCC4)cc(C)c3c2)c5sc(cc
    5C1=O)C(=O)NC6CC[S](=O)(=O)CC6    		 ~{N}-[1,1-bis(oxidanylidene)thian-4-yl]-7-[3-methyl-1-(piperidin-4-ylmethyl)indol-5-yl]-4-oxidanylidene-5-propyl-thieno[3,2-c]pyridine-2-carboxamide
    26984 L8M
    CHEMBL5193085    		 1 C20 H26 F N7 InChI=1S/C20H26FN7/c1-12-
    11-22-8-9-28(12)19-24-17-
    13(6-5-7-14(17)21)18(25-1
    9)23-16-10-15(26-27-16)20
    (2,3)4/h5-7,10,12,22H,8-9
    ,11H2,1-4H3,(H2,23,24,25,
    26,27)/t12-/m1/s1;
    DXXCCODWEPMLLB-GFCCVEGCSA-N    		 C[CH]1CNCCN1c2nc(Nc3cc([nH]n3)C(C)(C)C)c
    4cccc(F)c4n2; c34c(c(Nc1cc(C(C)(C)C)nn1)
    nc(N2C(C)CNCC2)n3)cccc4F; C[C@@H]1CNCCN1
    c2nc(Nc3cc([nH]n3)C(C)(C)C)c4cccc(F)c4n2
    ; C[C@@H]1CNCCN1c2nc3c(cccc3F)c(n2)Nc4cc
    ([nH]n4)C(C)(C)C; CC1CNCCN1c2nc3c(cccc3F
    )c(n2)Nc4cc([nH]n4)C(C)(C)C    		 N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
    26985 L8N
    CHEMBL4474178    		 2 C12 H12 N O5 P S InChI=1S/C12H12NO5PS/c13-
    20(16,17)12-8-6-10(7-9-12
    )18-19(14,15)11-4-2-1-3-5
    -11/h1-9H,(H,14,15)(H2,13
    ,16,17);
    HADGOFIYAKWMTA-UHFFFAOYSA-N    		 c1ccc(cc1)P(=O)(O)Oc2ccc(cc2)S(=O)(=O)N;
    N[S](=O)(=O)c1ccc(O[P](O)(=O)c2ccccc2)c
    c1    		 phenyl-(4-sulfamoylphenoxy)phosphinic acid
    26986 L8O 1 C18 H19 N O InChI=1S/C18H19NO/c1-13-6
    -5-8-15(10-13)18-12-19(14
    (2)20)11-16-7-3-4-9-17(16
    )18/h3-10,18H,11-12H2,1-2
    H3/t18-/m1/s1;
    MQSDDXXCNVJVGH-GOSISDBHSA-N    		 CC(=O)N1C[CH](c2cccc(C)c2)c3ccccc3C1; CC
    (=O)N1C[C@H](c2cccc(C)c2)c3ccccc3C1; Cc1
    cccc(c1)[C@H]2CN(Cc3c2cccc3)C(=O)C; Cc1c
    ccc(c1)C1CN(Cc2ccccc21)C(C)=O; Cc1cccc(c
    1)C2CN(Cc3c2cccc3)C(=O)C    		 1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one
    26987 L8P
    CHEMBL152
    DB00369
    ZINC000001530600    		 1 C8 H14 N3 O6 P InChI=1S/C8H14N3O6P/c9-7-
    1-2-11(8(13)10-7)3-6(4-12
    )17-5-18(14,15)16/h1-2,6,
    12H,3-5H2,(H2,9,10,13)(H2
    ,14,15,16)/t6-/m0/s1;
    VWFCHDSQECPREK-LURJTMIESA-N    		 C1=CN(C(=O)N=C1N)CC(CO)OCP(=O)(O)O; NC1=
    NC(=O)N(C[CH](CO)OC[P](O)(O)=O)C=C1; NC1
    =NC(=O)N(C[C@@H](CO)OC[P](O)(O)=O)C=C1;
    O=P(O)(O)COC(CN1C=CC(=NC1=O)N)CO; C1=CN(
    C(=O)N=C1N)C[C@@H](CO)OCP(=O)(O)O    		 ({[(2S)-1-(4-amino-2-oxopyrimidin-1(2H)-yl)-3-hydroxypropan-2-yl]oxy}methyl)phosphonic acid;
    Cidofovir
    26988 L8Q
    ZINC000000295034    		 1 C7 H7 N O4 InChI=1S/C7H7NO4/c1-12-7-
    3-2-5(8(10)11)4-6(7)9/h2-
    4,9H,1H3;
    KXKCTSZYNCDFFG-UHFFFAOYSA-N    		 COc1ccc(cc1O)[N+](=O)[O-]; COc1ccc(cc1O)
    [N+]([O-])=O    		 2-methoxy-5-nitro-phenol
    26989 L8R 7 C19 H24 N2 O S2 InChI=1S/C19H24N2OS2/c1-5
    -6-13-10-23-14-8-7-12-9-2
    0-18(21-17(12)16(13)14)24
    -11-15(22)19(2,3)4/h9-10H
    ,5-8,11H2,1-4H3;
    ZEOGXHOWWZZAJG-UHFFFAOYSA-N    		 CC(C)(C)C(=O)CSc1ncc2CCc3scc(CCC)c3c2n1;
    CCCc1csc2CCc3cnc(SCC(=O)C(C)(C)C)nc3c12
    ; CCCc1csc2c1-c3c(cnc(n3)SCC(=O)C(C)(C)C
    )CC2    		 3,3-dimethyl-1-{[(9aM)-9-propyl-5,6-dihydrothieno[2,3-h]quinazolin-2-yl]sulfanyl}butan-2-one
    26990 L8S 2 C10 H15 N4 O14 P3 S InChI=1S/C10H15N4O14P3S/c
    15-5-3(1-25-29(19,20)27-3
    0(21,22)28-31(23,24)32)26
    -9(6(5)16)14-2-11-4-7(14)
    12-10(18)13-8(4)17/h2-3,5
    -6,9,15-16H,1H2,(H,19,20)
    (H,21,22)(H2,23,24,32)(H2
    ,12,13,17,18)/t3-,5-,6+,9
    +/m0/s1;
    IAOZVDCRMYYKMQ-BZKDHIKHSA-N    		 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P]
    (O)(=O)O[P](O)(O)=S)n2cnc3C(=O)NC(=O)Nc2
    3; N2C(Nc1n(cnc1C2=O)C3C(O)C(O)C(COP(O)(
    =O)OP(O)(=O)OP(O)(O)=S)O3)=O; c1nc2c(n1C
    3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)
    O)O)NC(=O)NC2=O; c1nc2c(n1[C@H]3[C@@H]([
    C@H]([C@@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)
    (O)O)O)O)NC(=O)NC2=O; O[C@@H]1[C@@H](O)[
    C@@H](O[C@H]1CO[P](O)(=O)O[P](O)(=O)O[P]
    (O)(O)=S)n2cnc3C(=O)NC(=O)Nc23    		 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(thiophosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-L-arabinofuranosyl}-3,9-dihydro-1H-purine-2,6-dione
    26991 L8T 3 C18 H21 N O5 S InChI=1S/C18H21NO5S/c1-2-
    24-18(23)14-12-6-3-4-9-13
    (12)25-16(14)19-15(20)10-
    7-5-8-11(10)17(21)22/h2-9
    H2,1H3,(H,19,20)(H,21,22);
    KMYGWMFALCXVML-UHFFFAOYSA-N    		 CCOC(=O)c1c2CCCCc2sc1NC(=O)C3=C(CCC3)C(O
    )=O; O=C(O)C=1CCCC=1C(=O)Nc1sc2CCCCc2c1C
    (=O)OCC; CCOC(=O)c1c2c(sc1NC(=O)C3=C(CCC
    3)C(=O)O)CCCC2    		 2-{[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}cyclopent-1-ene-1-carboxylic acid
    26992 L8U 4 C8 H6 Br2 O2 InChI=1S/C8H6Br2O2/c9-4-8
    (12)6-2-1-5(10)3-7(6)11/h
    1-3,11H,4H2;
    MGBNHYHFAXNJLU-UHFFFAOYSA-N    		 Oc1cc(Br)ccc1C(=O)CBr; c1cc(c(cc1Br)O)C(
    =O)CBr    		 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone
    26993 L8V
    CHEMBL1097142
    ZINC000044460256    		 1 C23 H16 F3 N5 O2 InChI=1S/C23H16F3N5O2/c24
    -13-3-5-19(17(25)10-13)31
    -23(32)16-2-1-8-29-22(16)
    30-14-4-6-20(18(26)11-14)
    33-15-7-9-28-21(27)12-15/
    h1-12H,(H2,27,28)(H,29,30
    )(H,31,32);
    VPOULRXFJKYXDN-UHFFFAOYSA-N    		 Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc4ccc(F)cc4F
    )cc2F)ccn1; c1cc(c(nc1)Nc2ccc(c(c2)F)Oc3
    ccnc(c3)N)C(=O)Nc4ccc(cc4F)F    		 2-({4-[(2-aminopyridin-4-yl)oxy]-3-fluorophenyl}amino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
    26994 L8W 1 C29 H17 Cl Fe N5 O S InChI=1S/C24H17ClN5OS.C5H
    .Fe/c1-13-14(2)32-24-21(1
    3)22(16-8-10-17(25)11-9-1
    6)27-19(23-29-28-15(3)30(
    23)24)12-20(31)26-18-6-4-
    5-7-18;1-2-4-5-3-1;/h8-11
    ,19H,12H2,1-3H3,(H,26,31)
    ;1H;/t19-;;/m0../s1;
    NJZJPWNUSUAFBI-TXEPZDRESA-N    		 Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)N
    C45C6=C7[Fe]6489123(C7=C85)C4=C9[C]1C2=C
    34)c1ccc(cc1)Cl)C; [Fe].Cc1sc2n3c(C)nnc3
    [CH](CC(=O)NC4C=CC=C4)N=C(c5ccc(Cl)cc5)c
    2c1C.C6C=CC=C6; Cc1c(sc-2c1C(=NC(c3n2c(n
    n3)C)CC(=O)NC45C6=C7[Fe]6489123(C7=C85)C
    4=C9[C]1C2=C34)c1ccc(cc1)Cl)C; [Fe].Cc1s
    c2n3c(C)nnc3[C@H](CC(=O)NC4C=CC=C4)N=C(c
    5ccc(Cl)cc5)c2c1C.C6C=CC=C6    		 (+)-JD1
    26995 L8X
    CHEMBL4747331
    ZINC000002094071    		 4 C23 H21 Cl N2 O5 InChI=1S/C23H21ClN2O5/c1-
    30-22(28)14-9-7-13(8-10-1
    4)21-20-16(15-5-3-4-6-17(
    15)25-20)11-18(23(29)31-2
    )26(21)19(27)12-24/h3-10,
    18,21,25H,11-12H2,1-2H3/t
    18-,21+/m1/s1;
    TXJZRSRTYPUYRW-NQIIRXRSSA-N    		 COC(=O)c1ccc(cc1)C2c3c(c4ccccc4[nH]3)CC(
    N2C(=O)CCl)C(=O)OC; COC(=O)[CH]1Cc2c([nH
    ]c3ccccc23)[CH](N1C(=O)CCl)c4ccc(cc4)C(=
    O)OC; COC(=O)c1ccc(cc1)[C@H]2c3c(c4ccccc
    4[nH]3)C[C@@H](N2C(=O)CCl)C(=O)OC; COC(=
    O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](N1C(=O
    )CCl)c4ccc(cc4)C(=O)OC; O=C(OC)c1ccc(cc1
    )C1c2[NH]c3ccccc3c2CC(C(=O)OC)N1C(=O)CCl    		 methyl (1S,3R)-2-(chloroacetyl)-1-[4-(methoxycarbonyl)phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate
    26996 L8Y
    CHEMBL4537678    		 2 C19 H17 F N6 O2 InChI=1S/C19H17FN6O2/c1-2
    2-19(28)13-10-24-17(26-16
    -7-6-11(20)9-23-16)8-15(1
    3)25-14-5-3-2-4-12(14)18(
    21)27/h2-10H,1H3,(H2,21,2
    7)(H,22,28)(H2,23,24,25,2
    6);
    FFYLSLMDLCQSRS-UHFFFAOYSA-N    		 CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3C(
    N)=O; c1cc(cnc1Nc2ncc(c(c2)Nc3c(cccc3)C(
    =O)N)C(NC)=O)F; CNC(=O)c1cnc(cc1Nc2ccccc
    2C(=O)N)Nc3ccc(cn3)F    		 4-[(2-carbamoylphenyl)amino]-6-[(5-fluoropyridin-2-yl)amino]-N-methylpyridine-3-carboxamide
    26997 L8Z 26 C102 H182 N2 O32 P2 InChI=1S/C102H182N2O32P2/
    c1-7-13-19-25-31-37-38-44
    -50-56-62-68-88(113)129-8
    0(66-60-54-48-42-35-29-23
    -17-11-5)72-90(115)133-98
    -92(104-86(111)71-79(65-5
    9-53-47-41-34-28-22-16-10
    -4)128-87(112)67-61-55-49
    -43-36-30-24-18-12-6)99(1
    31-84(96(98)135-137(120,1
    21)122)76-127-102(101(118
    )119)73-81(108)93(116)95(
    134-102)82(109)74-105)126
    -75-83-94(117)97(132-89(1
    14)70-78(107)64-58-52-46-
    40-33-27-21-15-9-3)91(100
    (130-83)136-138(123,124)1
    25)103-85(110)69-77(106)6
    3-57-51-45-39-32-26-20-14
    -8-2/h14,20,42,48,52-53,5
    8-59,77-84,91-100,105-109
    ,116-117H,7-13,15-19,21-4
    1,43-47,49-51,54-57,60-76
    H2,1-6H3,(H,103,110)(H,10
    4,111)(H,118,119)(H2,120,
    121,122)(H2,123,124,125)/
    b20-14+,48-42+,58-52+,59-
    53+/t77-,78-,79-,80-,81-,
    82-,83-,84-,91-,92-,93-,9
    4-,95-,96-,97-,98-,99-,10
    0-,102-/m1/s1;
    NOEIKEOYYQLMFH-XTQPGWFYSA-N    		 CCCCCCCCCCCCCC(=O)OC(CCCC=CCCCCCC)CC(=O)
    OC1C(C(OC(C1OP(=O)(O)O)COC2(CC(C(C(O2)C(
    CO)O)O)O)C(=O)O)OCC3C(C(C(C(O3)OP(=O)(O)
    O)NC(=O)CC(CCCCCCCC=CCC)O)OC(=O)CC(CC=CC
    CCCCCCC)O)O)NC(=O)CC(CC=CCCCCCCCC)OC(=O)
    CCCCCCCCCCC; CCCCCCCCCCCCCC(=O)O[C@H](CC
    C/C=C/CCCCCC)CC(=O)O[C@@H]1[C@@H](NC(=O)
    C[C@@H](C/C=C/CCCCCCCC)OC(=O)CCCCCCCCCCC
    )[C@H](OC[C@H]2O[C@H](O[P](O)(O)=O)[C@H]
    (NC(=O)C[C@H](O)CCCCCCC/C=C/CC)[C@@H](OC
    (=O)C[C@H](O)C/C=C/CCCCCCCC)[C@@H]2O)O[C
    @H](CO[C@@]3(C[C@@H](O)[C@@H](O)[C@H](O3
    )[C@H](O)CO)C(O)=O)[C@H]1O[P](O)(O)=O; C
    CCCCCCCCCCCCC(=O)O[C@H](CCC/C=C/CCCCCC)C
    C(=O)O[C@@H]1[C@H]([C@@H](O[C@@H]([C@H]1
    OP(=O)(O)O)CO[C@@]2(C[C@H]([C@H]([C@H](O
    2)[C@@H](CO)O)O)O)C(=O)O)OC[C@@H]3[C@H](
    [C@@H]([C@H]([C@H](O3)OP(=O)(O)O)NC(=O)C
    [C@@H](CCCCCCC/C=C/CC)O)OC(=O)C[C@@H](C/
    C=C/CCCCCCCC)O)O)NC(=O)C[C@@H](C/C=C/CCC
    CCCCC)OC(=O)CCCCCCCCCCC; CCCCCCCCCCCCCC(
    =O)O[CH](CCCC=CCCCCCC)CC(=O)O[CH]1[CH](N
    C(=O)C[CH](CC=CCCCCCCCC)OC(=O)CCCCCCCCCC
    C)[CH](OC[CH]2O[CH](O[P](O)(O)=O)[CH](NC
    (=O)C[CH](O)CCCCCCCC=CCC)[CH](OC(=O)C[CH
    ](O)CC=CCCCCCCCC)[CH]2O)O[CH](CO[C]3(C[C
    H](O)[CH](O)[CH](O3)[CH](O)CO)C(O)=O)[CH
    ]1O[P](O)(O)=O    		 (2~{R},4~{R},5~{R},6~{R})-6-[(1~{R})-1,2-bis(oxidanyl)ethyl]-2-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-[[(~{E},3~{R})-3-dodecanoyloxytetradec-5-enoyl]amino]-6-[[(2~{R},3~{S},4~{R},5~{R},6~{R})-3-oxidanyl-5-[[(~{E},3~{R})-3-oxidanyltetradec-11-enoyl]amino]-4-[(~{E},3~{R})-3-oxidanyltetradec-5-enoyl]oxy-6-phosphonooxy-oxan-2-yl]methoxy]-3-phosphonooxy-4-[(~{E},3~{R})-3-tetradecanoyloxytetradec-7-enoyl]oxy-oxan-2-yl]methoxy]-4,5-bis(oxidanyl)oxane-2-carboxylic acid
    26998 L90
    CHEMBL3774978
    ZINC000095921223    		 1 C20 H21 N7 O2 InChI=1S/C20H21N7O2/c1-4-
    5-8-26-14(15-11(2)6-7-13-
    12(15)9-21-24-13)10-27-16
    -17(22-19(26)27)25(3)20(2
    9)23-18(16)28/h6-7,9-10H,
    4-5,8H2,1-3H3,(H,21,24)(H
    ,23,28,29);
    DQROUBDXZUEWBE-UHFFFAOYSA-N    		 CCCCn1c(cn2c1nc3c2C(=O)NC(=O)N3C)c4c(ccc
    5c4cn[nH]5)C; CCCCn1c(cn2c1nc3N(C)C(=O)N
    C(=O)c23)c4c(C)ccc5[nH]ncc45; O=C5c1c(nc
    4n1cc(c2c(ccc3c2cnn3)C)n4CCCC)N(C(=O)N5)
    C    		 8-butyl-1-methyl-7-(5-methyl-1H-indazol-4-yl)-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
    26999 L91
    CHEMBL4526283    		 2 C19 H18 F N5 O3 S InChI=1S/C19H18FN5O3S/c1-
    21-19(26)13-11-23-18(25-1
    7-8-7-12(20)10-22-17)9-15
    (13)24-14-5-3-4-6-16(14)2
    9(2,27)28/h3-11H,1-2H3,(H
    ,21,26)(H2,22,23,24,25);
    SYYQNYIBIFOCPS-UHFFFAOYSA-N    		 CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc3ccccc3[S
    ](C)(=O)=O; c1cc(cnc1Nc2ncc(c(c2)Nc3c(cc
    cc3)S(C)(=O)=O)C(NC)=O)F; CNC(=O)c1cnc(c
    c1Nc2ccccc2S(=O)(=O)C)Nc3ccc(cn3)F    		 6-[(5-fluoropyridin-2-yl)amino]-N-methyl-4-{[2-(methylsulfonyl)phenyl]amino}pyridine-3-carboxamide
    27000 L92
    CHEMBL477095
    ZINC000035999854    		 1 C26 H26 N2 O3 InChI=1S/C26H26N2O3/c1-19
    -23(27-25(31-19)22-9-3-2-
    4-10-22)11-7-8-20-12-14-2
    1(15-13-20)18-24(26(29)30
    )28-16-5-6-17-28/h2-6,9-1
    0,12-17,24H,7-8,11,18H2,1
    H3,(H,29,30)/t24-/m0/s1;
    QPJVYLQOALFBLJ-DEOSSOPVSA-N    		 Cc1oc(nc1CCCc2ccc(C[CH](n3cccc3)C(O)=O)c
    c2)c4ccccc4; Cc1c(nc(o1)c2ccccc2)CCCc3cc
    c(cc3)C[C@@H](C(=O)O)n4cccc4; Cc1c(nc(o1
    )c2ccccc2)CCCc3ccc(cc3)CC(C(=O)O)n4cccc4
    ; O=C(O)C(n1cccc1)Cc2ccc(cc2)CCCc3nc(oc3
    C)c4ccccc4; Cc1oc(nc1CCCc2ccc(C[C@H](n3c
    ccc3)C(O)=O)cc2)c4ccccc4    		 (2S)-3-{4-[3-(5-METHYL-2-PHENYL-1,3-OXAZOL-4-YL)PROPYL]PHENYL}-2-(1H-PYRROL-1-YL)PROPANOIC ACID
    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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