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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
    18401 E9C 0 C9 H9 N O5 InChI=1S/C9H9NO5/c10-5(9(
    14)15)1-4-2-7(12)8(13)3-6
    (4)11/h2,5H,1,3,10H2,(H,1
    4,15)/t5-/m0/s1/i3D2;
    YEQCWDUWMMTDJJ-YVKXTFNSSA-N    		 N[CH](CC1=CC(=O)C(=O)C(C1=O)([2H])[2H])C
    (O)=O; C1C(=O)C(=CC(=O)C1=O)CC(C(=O)O)N;
    C1C(=O)C(=CC(=O)C1=O)C[C@@H](C(=O)O)N;
    N[C@@H](CC1=CC(=O)C(=O)C(C1=O)([2H])[2H]
    )C(O)=O    		 (2S)-2-azanyl-3-[3,4,6-tris(oxidanylidene)cyclohexen-1-yl]propanoic acid
    18402 E9D 5 C51 H48 Cl F N8 O7 InChI=1S/C51H48ClFN8O7/c1
    -58(2)32-13-17-36-42(27-3
    2)68-43-28-33(59(3)4)14-1
    8-37(43)45(36)38-25-30(11
    -15-34(38)50(64)65)49(63)
    55-20-8-10-44(62)61-23-21
    -60(22-24-61)29-41-46(51(
    66)67-5)47(35-16-12-31(53
    )26-39(35)52)57-48(56-41)
    40-9-6-7-19-54-40/h6-7,9,
    11-19,25-28H,8,10,20-24,2
    9H2,1-5H3,(H-,55,63,64,65
    );
    PZTNESDVJNEZKJ-UHFFFAOYSA-N    		 O=C(OC)c1c(nc(nc1CN1CCN(CC1)C(=O)CCCNC(=
    O)c1cc(C=2c3ccc(cc3OC3=CC(\C=CC=23)=[N+]
    (/C)C)N(C)C)c(cc1)C([O-])=O)c1ccccn1)c1c
    cc(F)cc1Cl; CN(C)c1ccc2c(c1)OC3=CC(=[N+]
    (C)C)C=CC3=C2c4cc(ccc4C(=O)[O-])C(=O)NCC
    CC(=O)N5CCN(CC5)Cc6c(c(nc(n6)c7ccccn7)c8
    ccc(cc8Cl)F)C(=O)OC; COC(=O)c1c(CN2CCN(C
    C2)C(=O)CCCNC(=O)c3ccc(C([O-])=O)c(c3)C4
    =C5C=CC(C=C5Oc6cc(ccc46)N(C)C)=[N+](C)C)
    nc(nc1c7ccc(F)cc7Cl)c8ccccn8    		 Heteroaryldihydropyrimidine tetramethylrodamine;
    HAP-TAMRA
    18403 E9E 1 C4 H11 O3 P InChI=1S/C4H11O3P/c1-4-7-
    8(3,5)6-2/h4H2,1-3H3/t8-/
    m0/s1;
    YDVMILOIKRSPEO-QMMMGPOBSA-N    		 CCOP(=O)(C)OC; CCO[P@](=O)(C)OC; CCO[P@@
    ](C)(=O)OC; CCO[P](C)(=O)OC    		 1-[methoxy(methyl)phosphoryl]oxyethane
    18404 E9F 1 C20 H24 N6 O2 S InChI=1S/C20H24N6O2S/c1-1
    3-12-28-10-9-26(13)19-24-
    16(14-3-7-22-18-15(14)4-8
    -23-18)11-17(25-19)20(5-6
    -20)29(2,21)27/h3-4,7-8,1
    1,13,21H,5-6,9-10,12H2,1-
    2H3,(H,22,23)/t13-,29-/m1
    /s1;
    NQNZWWHMAAZKNQ-JYCIKRDWSA-N    		 C[C@@H]1COCCN1c2nc(cc(n2)C3(CC3)[S@](C)(
    =N)=O)c4ccnc5[nH]ccc45; C[CH]1COCCN1c2nc
    (cc(n2)C3(CC3)[S](C)(=N)=O)c4ccnc5[nH]cc
    c45; CC1COCCN1c2nc(cc(n2)C3(CC3)S(=N)(=O
    )C)c4ccnc5c4cc[nH]5; CS(=N)(=O)C1(CC1)c1
    nc(nc(c1)c1ccnc2[NH]ccc21)N1CCOCC1C; C[C
    @@H]1COCCN1c2nc(cc(n2)C3(CC3)S(=N)(=O)C)
    c4ccnc5c4cc[nH]5    		 4-(6-{1-[(R)-S-methanesulfonimidoyl]cyclopropyl}-2-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridine
    18405 E9G 4 C10 H11 N O4 InChI=1S/C10H11NO4/c1-7(8
    -5-3-2-4-6-8)11(15)9(12)1
    0(13)14/h2-7,15H,1H3,(H,1
    3,14)/t7-/m0/s1;
    IRVSUCQNKPWMLV-ZETCQYMHSA-N    		 c1cccc(C(C)N(C(=O)C(O)=O)O)c1; CC(c1cccc
    c1)N(C(=O)C(=O)O)O; C[CH](N(O)C(=O)C(O)=
    O)c1ccccc1; C[C@H](N(O)C(=O)C(O)=O)c1ccc
    cc1; C[C@@H](c1ccccc1)N(C(=O)C(=O)O)O    		 {hydroxy[(1S)-1-phenylethyl]amino}(oxo)acetic acid
    18406 E9H
    CHEMBL479322
    ZINC000044431734    		 10 C16 H35 O4 P InChI=1S/C16H35O4P/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-16-20-21(17,18)19/h
    2-16H2,1H3,(H2,17,18,19);
    ZUVCYFMOHFTGDM-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCOP(=O)(O)O; CCCCCCCCCCCC
    CCCCO[P](O)(O)=O    		 hexadecyl dihydrogen phosphate
    18407 E9I
    CHEMBL1979926
    ZINC000000300830    		 4 C10 H13 N O3 InChI=1S/C10H13NO3/c1-13-
    8-4-3-7(6-10(11)12)5-9(8)
    14-2/h3-5H,6H2,1-2H3,(H2,
    11,12);
    CUWOZWFDSYIYHL-UHFFFAOYSA-N    		 COc1ccc(cc1OC)CC(=O)N; COc1ccc(CC(N)=O)c
    c1OC    		 2-(3,4-dimethoxyphenyl)ethanamide
    18408 E9J
    ZINC000020184957    		 4 C10 H11 N O3 InChI=1S/C10H11NO3/c1-7(1
    1-9(12)10(13)14)8-5-3-2-4
    -6-8/h2-7H,1H3,(H,11,12)(
    H,13,14)/t7-/m0/s1;
    RVIXKSXCAWSWSX-ZETCQYMHSA-N    		 C[C@@H](c1ccccc1)NC(=O)C(=O)O; C[CH](NC(
    =O)C(O)=O)c1ccccc1; C(C(NC(C)c1ccccc1)=O
    )(O)=O; C[C@H](NC(=O)C(O)=O)c1ccccc1; CC
    (c1ccccc1)NC(=O)C(=O)O    		 oxo{[(1S)-1-phenylethyl]amino}acetic acid
    18409 E9K 2 C7 H13 N O3 InChI=1S/C7H13NO3/c9-2-3-
    1-4-5(8-4)7(11)6(3)10/h3-
    11H,1-2H2/t3-,4-,5-,6-,7-
    /m1/s1;
    JACJTGDBUDQHPY-NYMZXIIRSA-N    		 C1C(C(C(C2C1N2)O)O)CO; OC[C@H]1C[C@H]2N[
    C@H]2[C@@H](O)[C@@H]1O; OC[CH]1C[CH]2N[C
    H]2[CH](O)[CH]1O; C1[C@@H]([C@H]([C@@H](
    [C@H]2[C@@H]1N2)O)O)CO    		 (1~{R},2~{R},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol
    18410 E9L
    CHEMBL3590650    		 2 C16 H15 N2 O InChI=1S/C16H14N2O/c1-11-
    5-7-12(8-6-11)14-10-15-13
    (16(19)17-14)4-3-9-18(15)
    2/h3-10H,1-2H3/p+1;
    GDYXASJFPBVBDV-UHFFFAOYSA-O    		 Cc1ccc(cc1)C2=NC(=O)C3=CC=C[NH+](C3=C2)C
    ; C[NH+]1C=CC=C2C(=O)N=C(C=C12)c3ccc(C)c
    c3; O=C2N=C(C=C1C2=CC=C[NH+]1C)c3ccc(cc3
    )C    		 (1S)-1-methyl-7-(4-methylphenyl)-5-oxo-1,5-dihydro-1,6-naphthyridin-1-ium
    18411 E9M
    CHEMBL552941
    ZINC000000056981    		 1 C12 H14 N2 O2 InChI=1S/C12H14N2O2/c1-13
    -11(12(15)16)6-8-7-14-10-
    5-3-2-4-9(8)10/h2-5,7,11,
    13-14H,6H2,1H3,(H,15,16)/
    t11-/m0/s1;
    CZCIKBSVHDNIDH-NSHDSACASA-N    		 N(C)C(Cc1cnc2c1cccc2)C(=O)O; CN[CH](Cc1c
    [nH]c2ccccc12)C(O)=O; CN[C@@H](Cc1c[nH]c
    2ccccc12)C(O)=O; CNC(Cc1c[nH]c2c1cccc2)C
    (=O)O; CN[C@@H](Cc1c[nH]c2c1cccc2)C(=O)O    		 N-methyl-L-tryptophan
    18412 E9N 1 C11 H12 O4 S InChI=1S/C11H12O4S/c12-10
    (13)6-9(11(14)15)16-7-8-4
    -2-1-3-5-8/h1-5,9H,6-7H2,
    (H,12,13)(H,14,15)/t9-/m1
    /s1;
    PLQQDQFONINWJP-SECBINFHSA-N    		 c1ccc(cc1)CSC(CC(=O)O)C(=O)O; c1ccc(cc1)
    CS[C@H](CC(=O)O)C(=O)O; OC(=O)C[C@@H](SC
    c1ccccc1)C(O)=O; OC(=O)C[CH](SCc1ccccc1)
    C(O)=O    		 (2~{R})-2-(phenylmethylsulfanyl)butanedioic acid
    18413 E9O 6 C15 H29 N O4 InChI=1S/C15H29NO4/c1-2-3
    -4-5-6-7-8-9-11-13(15(19)
    20)14(18)12(17)10-16-11/h
    11-14,16-18H,2-10H2,1H3,(
    H,19,20)/t11-,12+,13-,14-
    /m0/s1;
    PFGVLKMJAGVUAN-CRWXNKLISA-N    		 CCCCCCCCC[C@@H]1NC[C@@H](O)[C@H](O)[C@H]
    1C(O)=O; CCCCCCCCC[CH]1NC[CH](O)[CH](O)[
    CH]1C(O)=O; CCCCCCCCCC1C(C(C(CN1)O)O)C(=
    O)O; CCCCCCCCC[C@H]1[C@@H]([C@H]([C@@H](
    CN1)O)O)C(=O)O    		 (2~{S},3~{S},4~{R},5~{R})-2-nonyl-4,5-bis(oxidanyl)piperidine-3-carboxylic acid
    18414 E9P
    ZINC000014961100    		 9 C14 H14 O2 InChI=1S/C14H14O2/c1-2-11
    -8-9-14(13(15)10-11)16-12
    -6-4-3-5-7-12/h3-10,15H,2
    H2,1H3;
    XZOPHRPAUNJURP-UHFFFAOYSA-N    		 CCc1ccc(c(c1)O)Oc2ccccc2; O(c1ccccc1)c2c
    cc(cc2O)CC; CCc1ccc(Oc2ccccc2)c(O)c1    		 5-ETHYL-2-PHENOXYPHENOL
    18415 E9Q
    CHEMBL2393369
    ZINC000003888452    		 2 C8 H11 N5 InChI=1S/C8H11N5/c9-5-6-7
    (10)11-12-8(6)13-3-1-2-4-
    13/h1-4H2,(H3,10,11,12);
    RQDSNKYYHIZWJX-UHFFFAOYSA-N    		 Nc1[nH]nc(N2CCCC2)c1C#N; C1CCN(C1)c2c(c(
    [nH]n2)N)C#N    		 5-azanyl-3-pyrrolidin-1-yl-1~{H}-pyrazole-4-carbonitrile
    18416 E9R 2 C20 H25 N2 O6 InChI=1S/C20H24N2O6/c23-1
    3-16-9-11-22(12-18(16)24)
    10-5-4-8-17(19(25)26)21-2
    0(27)28-14-15-6-2-1-3-7-1
    5/h1-3,6-7,9,11-12,17,23H
    ,4-5,8,10,13-14H2,(H2-,21
    ,24,25,26,27)/p+1/t17-/m0
    /s1;
    MCKINXUETXTBTK-KRWDZBQOSA-O    		 OCc1cc[n+](CCCC[C@H](NC(=O)OCc2ccccc2)C(
    O)=O)cc1O; c1ccc(cc1)COC(=O)NC(CCCC[n+]2
    ccc(c(c2)O)CO)C(=O)O; OCc1cc[n+](CCCC[CH
    ](NC(=O)OCc2ccccc2)C(O)=O)cc1O; c1ccc(cc
    1)COC(=O)N[C@@H](CCCC[n+]2ccc(c(c2)O)CO)
    C(=O)O    		 (2~{S})-6-[4-(hydroxymethyl)-3-oxidanyl-pyridin-1-ium-1-yl]-2-(phenylmethoxycarbonylamino)hexanoic acid
    18417 E9S 1 C10 H7 Br O5 InChI=1S/C10H7BrO5/c11-9-
    5(2-1-3-6(9)12)7(13)4-8(1
    4)10(15)16/h1-4,12,14H,(H
    ,15,16)/b8-4-;
    SWAMTZRFTRZXLW-YWEYNIOJSA-N    		 c1ccc(c(c1C([C@H]=C(C(O)=O)O)=O)Br)O; c1
    cc(c(c(c1)O)Br)C(=O)C=C(C(=O)O)O; OC(=O)
    C(O)=CC(=O)c1cccc(O)c1Br; OC(=O)\C(O)=C\
    C(=O)c1cccc(O)c1Br    		 (2Z)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobut-2-enoic acid
    18418 E9T 1 C27 H26 O3 InChI=1S/C27H26O3/c28-25-
    6-5-22(20-1-2-21-11-23(26
    (29)30)4-3-19(21)10-20)12
    -24(25)27-13-16-7-17(14-2
    7)9-18(8-16)15-27/h1-6,10
    -12,16-18,28H,7-9,13-15H2
    ,(H,29,30)/t16-,17+,18-,2
    7-;
    LDGIHZJOIQSHPB-HYVKCOOLSA-N    		 c1cc(cc2c1cc(cc2)C(=O)O)c3ccc(c(c3)C45CC
    6CC(C4)CC(C6)C5)O; OC(=O)c1ccc2cc(ccc2c1
    )c3ccc(O)c(c3)C45CC6CC(CC(C6)C4)C5    		 6-[3-(1-adamantyl)-4-oxidanyl-phenyl]naphthalene-2-carboxylic acid
    18419 E9U 20 C15 H22 N3 O9 P S InChI=1S/C15H22N3O9PS/c1-
    8-13(19)10(9(4-17-8)6-27-
    28(24,25)26)5-18-12(15(22
    )23)2-3-29-7-11(16)14(20)
    21/h4-5,11-12,19H,2-3,6-7
    ,16H2,1H3,(H,20,21)(H,22,
    23)(H2,24,25,26)/b18-5+/t
    11-,12-/m0/s1;
    BNRWEPGYMATFEB-QIDXEYLZSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CCS
    C[C@@H](C(=O)O)N)C(=O)O)O; Cc1ncc(CO[P](
    O)(O)=O)c(C=N[C@@H](CCSC[C@H](N)C(O)=O)C
    (O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NC
    (CCSCC(C(=O)O)N)C(=O)O)O; Cc1ncc(CO[P](O
    )(O)=O)c(C=N[CH](CCSC[CH](N)C(O)=O)C(O)=
    O)c1O    		 (2~{S})-4-[(2~{R})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-2-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]butanoic acid
    18420 E9V
    CHEMBL1229144
    ZINC000000901700    		 0 C7 H11 N3 O2 InChI=1S/C7H11N3O2/c1-8-6
    (7(11)12)2-5-3-9-4-10-5/h
    3-4,6,8H,2H2,1H3,(H,9,10)
    (H,11,12)/t6-/m0/s1;
    CYZKJBZEIFWZSR-LURJTMIESA-N    		 CN[C@@H](Cc1[nH]cnc1)C(O)=O; CNC(Cc1cnc[
    NH]1)C(=O)O; CNC(Cc1cnc[nH]1)C(=O)O; CN[
    CH](Cc1[nH]cnc1)C(O)=O; CN[C@@H](Cc1cnc[
    nH]1)C(=O)O    		 N-methyl-L-histidine
    18421 E9W 1 C15 H18 N9 O4 S InChI=1S/C15H17N9O4S/c1-2
    -3-18-8(25)5-29-15-22-9-1
    2(16)19-6-20-13(9)24(15)1
    4-11(27)10(26)7(28-14)4-2
    1-23-17/h1,6-7,10-11,14,1
    7,26-27H,3-5H2,(H2-,16,18
    ,19,20,25)/p+1/t7-,10-,11
    -,14-/m1/s1;
    JLTMRFGYLXJIRU-FRJWGUMJSA-O    		 C#CCNC(=O)CSc1nc2c(ncnc2n1C3C(C(C(O3)CN=
    [N+]=N)O)O)N; Nc1ncnc2n([CH]3O[CH](CN=[N
    +]=N)[CH](O)[CH]3O)c(SCC(=O)NCC#C)nc12;
    Nc1ncnc2n([C@@H]3O[C@H](CN=[N+]=N)[C@@H]
    (O)[C@H]3O)c(SCC(=O)NCC#C)nc12; C#CCNC(=
    O)CSc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C
    @H](O3)CN=[N+]=N)O)O)N    		 azanylidene-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanyl-8-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl]sulfanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylimino]azanium
    18422 E9X
    CHEMBL4803508    		 4 C21 H27 Cl N6 O InChI=1S/C21H27ClN6O/c1-2
    1(2)26-19(23)25-20(24)28(
    21)29-14-6-13-27(15-16-7-
    4-3-5-8-16)18-11-9-17(22)
    10-12-18/h3-5,7-12H,6,13-
    15H2,1-2H3,(H4,23,24,25,2
    6);
    XYRZUDPANKUJKS-UHFFFAOYSA-N    		 CC1(C)N=C(N)N=C(N)N1OCCCN(Cc2ccccc2)c3cc
    c(Cl)cc3; CC1(N=C(N=C(N1OCCCN(Cc2ccccc2)
    c3ccc(cc3)Cl)N)N)C    		 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
    18423 E9Y
    CHEMBL4095734    		 2 C17 H18 N4 O2 InChI=1S/C17H18N4O2/c1-10
    -15-16(18-11(2)19-17(15)2
    3-20-10)21-8-4-5-12-9-13(
    22-3)6-7-14(12)21/h6-7,9H
    ,4-5,8H2,1-3H3;
    CCPOZSSQYAHSEH-UHFFFAOYSA-N    		 c1cc4c(cc1OC)CCCN4c2c3c(nc(C)n2)onc3C; C
    c1c2c(nc(nc2on1)C)N3CCCc4c3ccc(c4)OC; CO
    c1ccc2N(CCCc2c1)c3nc(C)nc4onc(C)c34    		 1-(3,6-dimethyl[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-6-methoxy-1,2,3,4-tetrahydroquinoline
    18424 E9Z
    ZINC000098208818    		 1 C16 H19 Cl N4 O2 InChI=1S/C16H19ClN4O2/c1-
    22-8-9-23-13-6-4-12(5-7-1
    3)20-16-18-10-14(17)15(21
    -16)19-11-2-3-11/h4-7,10-
    11H,2-3,8-9H2,1H3,(H2,18,
    19,20,21);
    JFFMERHILPGKFE-UHFFFAOYSA-N    		 Clc1cnc(nc1NC2CC2)Nc3ccc(OCCOC)cc3; COCC
    Oc1ccc(cc1)Nc2ncc(c(n2)NC3CC3)Cl; COCCOc
    1ccc(Nc2ncc(Cl)c(NC3CC3)n2)cc1    		 5-chloro-N~4~-cyclopropyl-N~2~-[4-(2-methoxyethoxy)phenyl]pyrimidine-2,4-diamine
    18425 EA0
    CHEMBL4804000    		 6 C13 H17 Cl N6 O2 InChI=1S/C13H17ClN6O2/c1-
    13(2)19-11(15)18-12(16)20
    (13)22-7-10(21)17-9-5-3-8
    (14)4-6-9/h3-6H,7H2,1-2H3
    ,(H,17,21)(H4,15,16,18,19
    );
    NFSDKWLTDMRPDV-UHFFFAOYSA-N    		 CC1(N=C(N=C(N1OCC(=O)Nc2ccc(cc2)Cl)N)N)C
    ; CC1(C)N=C(N)N=C(N)N1OCC(=O)Nc2ccc(Cl)c
    c2    		 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide
    18426 EA1
    DB01952
    ZINC000012501389    		 2 C7 H5 N5 InChI=1S/C7H5N5/c1-2-12-4
    -11-6-5(7(12)8-1)9-3-10-6
    /h1-4H,(H,9,10);
    OGVOXGPIHFKUGM-UHFFFAOYSA-N    		 n2cnc3ncn1c(ncc1)c23; c1cn2cnc3c(c2n1)nc
    [nH]3; [nH]1cnc2c1ncn3ccnc23    		 3H-IMIDAZO[2,1-I]PURINE;
    1,N6-ETHENOADENINE
    18427 EA2 2 C2 H9 N O7 P2 InChI=1S/C2H9NO7P2/c3-1-2
    -9-12(7,8)10-11(4,5)6/h1-
    3H2,(H,7,8)(H2,4,5,6);
    VOBNSQKMDIOJTQ-UHFFFAOYSA-N    		 C(COP(=O)(O)OP(=O)(O)O)N; C(CO[P@@](=O)(
    O)OP(=O)(O)O)N; NCCO[P@](O)(=O)O[P](O)(O
    )=O; NCCO[P](O)(=O)O[P](O)(O)=O; O=P(O)(
    OP(=O)(OCCN)O)O    		 AMINOETHANOLPYROPHOSPHATE
    18428 EA3
    CHEMBL4450545    		 5 C15 H21 Cl N2 O4 S2 InChI=1S/C15H21ClN2O4S2/c
    16-12-9-13(23-10-4-2-1-3-
    5-10)11(15(20)18-6-7-19)8
    -14(12)24(17,21)22/h8-10,
    19H,1-7H2,(H,18,20)(H2,17
    ,21,22);
    PSEDAEWMXCWYRT-UHFFFAOYSA-N    		 N[S](=O)(=O)c1cc(C(=O)NCCO)c(SC2CCCCC2)c
    c1Cl; c1c(c(cc(c1S(=O)(=O)N)Cl)SC2CCCCC2
    )C(=O)NCCO    		 4-chloranyl-2-cyclohexylsulfanyl-~{N}-(2-hydroxyethyl)-5-sulfamoyl-benzamide
    18429 EA4
    CHEMBL3647424
    ZINC000095921255    		 5 C12 H17 N3 O3 InChI=1S/C12H17N3O3/c1-2-
    18-11(16)8-15-12(17)14-7-
    9-3-5-10(13)6-4-9/h3-6H,2
    ,7-8,13H2,1H3,(H2,14,15,1
    7);
    UCMPTJMHPJQEED-UHFFFAOYSA-N    		 CCOC(=O)CNC(=O)NCc1ccc(cc1)N; CCOC(=O)CN
    C(=O)NCc1ccc(N)cc1; O=C(OCC)CNC(=O)NCc1c
    cc(N)cc1    		 ethyl N-[(4-aminobenzyl)carbamoyl]glycinate
    18430 EA5
    ZINC000038792052    		 2 C13 H22 N3 O7 P InChI=1S/C13H22N3O7P/c1-8
    -13(19)11(6-15-5-10(14)2-
    3-12(17)18)9(4-16-8)7-23-
    24(20,21)22/h4,10,15,19H,
    2-3,5-7,14H2,1H3,(H,17,18
    )(H2,20,21,22)/t10-/m0/s1;
    DSCJVPXIMLLBAH-JTQLQIEISA-N    		 O=C(O)CCC(N)CNCc1c(cnc(c1O)C)COP(=O)(O)O
    ; Cc1ncc(CO[P](O)(O)=O)c(CNC[C@@H](N)CCC
    (O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)CNCC
    (CCC(=O)O)N)O; Cc1c(c(c(cn1)COP(=O)(O)O)
    CNC[C@H](CCC(=O)O)N)O; Cc1ncc(CO[P](O)(O
    )=O)c(CNC[CH](N)CCC(O)=O)c1O    		 (4S)-4-AMINO-5-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]PENTANOIC ACID
    18431 EA6
    CHEMBL4803414    		 2 C14 H19 Cl F N5 O2 InChI=1S/C14H19ClFN5O2/c1
    -14(2)20-12(17)19-13(18)2
    1(14)23-7-3-6-22-11-5-4-9
    (16)8-10(11)15/h4-5,8H,3,
    6-7H2,1-2H3,(H4,17,18,19,
    20);
    LWMCHYYYRYHTJY-UHFFFAOYSA-N    		 CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl;
    CC1(N=C(N=C(N1OCCCOc2ccc(cc2Cl)F)N)N)C    		 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
    18432 EA7 3 C17 H15 F2 N5 O2 InChI=1S/C17H15F2N5O2/c1-
    4-5-24-13-8-20-17(22-15(1
    3)23(3)9(2)16(24)26)21-10
    -6-11(18)14(25)12(19)7-10
    /h1,6-9,25H,5H2,2-3H3,(H,
    20,21,22)/t9-/m1/s1;
    IIBALDWMKAODIG-SECBINFHSA-N    		 C1(C)N(C)c2nc(ncc2N(CC#C)C1=O)Nc3cc(F)c(
    c(c3)F)O; CC1C(=O)N(c2cnc(nc2N1C)Nc3cc(c
    (c(c3)F)O)F)CC#C; C[C@H]1N(C)c2nc(Nc3cc(
    F)c(O)c(F)c3)ncc2N(CC#C)C1=O; C[C@@H]1C(
    =O)N(c2cnc(nc2N1C)Nc3cc(c(c(c3)F)O)F)CC#
    C; C[CH]1N(C)c2nc(Nc3cc(F)c(O)c(F)c3)ncc
    2N(CC#C)C1=O    		 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
    18433 EA9 1 C27 H26 N4 O4 InChI=1S/C27H26N4O4/c1-3-
    13-35-21-11-10-18(14-22(2
    1)34-2)26-23-24(19-8-4-5-
    9-20(19)32)29-30-25(23)27
    (33)31(26)16-17-7-6-12-28
    -15-17/h4-12,14-15,26,32H
    ,3,13,16H2,1-2H3,(H,29,30
    )/t26-/m1/s1;
    VDJNZGXOMKRJML-AREMUKBSSA-N    		 CCCOc1ccc(cc1OC)[C@@H]2c3c(n[nH]c3C(=O)N
    2Cc4cccnc4)c5ccccc5O; CCCOc1ccc(cc1OC)[C
    H]2N(Cc3cccnc3)C(=O)c4[nH]nc(c5ccccc5O)c
    24; CCCOc1ccc(cc1OC)C2c3c(n[nH]c3C(=O)N2
    Cc4cccnc4)c5ccccc5O; CCCOc1ccc(cc1OC)[C@
    H]2N(Cc3cccnc3)C(=O)c4[nH]nc(c5ccccc5O)c
    24    		 (4R)-3-(2-hydroxyphenyl)-4-(3-methoxy-4-propoxy-phenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
    18434 EAA
    CHEMBL456
    DB00903
    ZINC000000001382    		 21 C13 H12 Cl2 O4 InChI=1S/C13H12Cl2O4/c1-3
    -7(2)13(18)8-4-5-9(12(15)
    11(8)14)19-6-10(16)17/h4-
    5H,2-3,6H2,1H3,(H,16,17);
    AVOLMBLBETYQHX-UHFFFAOYSA-N    		 Clc1c(C(=O)\C(=C)CC)ccc(OCC(=O)O)c1Cl; C
    CC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl; CCC
    (=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)O    		 ETHACRYNIC ACID
    18435 EAB
    ZINC000058633461    		 0 C15 H15 N3 O2 InChI=1S/C15H15N3O2/c16-1
    0-12-4-2-6-14(8-12)18-17-
    13-5-1-3-11(7-13)9-15(19)
    20/h1-8H,9-10,16H2,(H,19,
    20)/b18-17+;
    RHNJRPYVLIXHAK-ISLYRVAYSA-N    		 c1cc(cc(c1)N=Nc2cccc(c2)CN)CC(=O)O; c1cc
    (cc(c1)/N=N/c2cccc(c2)CN)CC(=O)O; NCc1cc
    cc(c1)N=Nc2cccc(CC(O)=O)c2; O=C(O)Cc2ccc
    c(/N=N/c1cccc(c1)CN)c2    		 (3-{(E)-[3-(AMINOMETHYL)PHENYL]DIAZENYL}PHENYL)ACETIC ACID
    18436 EAC
    CHEMBL169176
    ZINC000096014346    		 2 C6 H10 O3 InChI=1S/C6H10O3/c1-3-9-6
    (8)4-5(2)7/h3-4H2,1-2H3;
    XYIBRDXRRQCHLP-UHFFFAOYSA-N    		 CCOC(=O)CC(=O)C; O=C(C)CC(=O)OCC; CCOC(=
    O)CC(C)=O    		 ethyl 3-oxobutanoate
    18437 EAD
    ZINC000098208819    		 1 C29 H36 N8 O15 P2 InChI=1S/C29H36N8O15P2/c1
    -2-14-7-13(3-5-32-14)20(3
    8)15-4-6-36(8-16(15)26(31
    )43)28-23(41)21(39)17(50-
    28)9-48-53(44,45)52-54(46
    ,47)49-10-18-22(40)24(42)
    29(51-18)37-12-35-19-25(3
    0)33-11-34-27(19)37/h3-8,
    11-12,15,17-18,21-24,28-2
    9,39-42H,2,9-10H2,1H3,(H2
    ,31,43)(H,44,45)(H,46,47)
    (H2,30,33,34)/t15-,17+,18
    +,21+,22+,23+,24+,28+,29+
    /m0/s1;
    KVEIKWLOSUPDGF-OYBINNFYSA-N    		 CCc1cc(ccn1)C(=O)[CH]2C=CN(C=C2C(N)=O)[C
    H]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O
    [CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)[CH]
    (O)[CH]3O; CCc1cc(ccn1)C(=O)[C@H]2C=CN(C
    =C2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](O3)C
    O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H]
    ([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O;
    CCc1cc(ccn1)C(=O)C2C=CN(C=C2C(=O)N)C3C(
    C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n
    5cnc6c5ncnc6N)O)O)O)O; CCc1cc(ccn1)C(=O)
    [C@H]2C=CN(C=C2C(N)=O)[C@@H]3O[C@H](CO[P
    ](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H]([C@H](
    O)[C@@H]4O)n5cnc6c(N)ncnc56)[C@@H](O)[C@
    H]3O    		 {(2R,3S,4R,5R)-5-[(4S)-3-(AMINOCARBONYL)-4-(2-ETHYLISONICOTINOYL)PYRIDIN-1(4H)-YL]-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL}METHYL [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE;
    2-ETHYL-ISONICOTINIC-ACYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
    18438 EAE
    CHEMBL408982
    ZINC000004793192    		 12 C13 H15 N O2 S InChI=1S/C13H15NO2S/c1-4-
    14-11-8-10(16-3)5-6-12(11
    )17-13(14)7-9(2)15/h5-8H,
    4H2,1-3H3/b13-7-;
    BGVLELSCIHASRV-QPEQYQDCSA-N    		 CCN1c2cc(ccc2SC1=CC(=O)C)OC; CCN1C(Sc2cc
    c(OC)cc12)=CC(C)=O; CCN\1c2cc(ccc2S/C1=C
    \C(=O)C)OC; CCN1/C(Sc2ccc(OC)cc12)=C/C(C
    )=O    		 (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one
    18439 EAF
    ZINC000008845352    		 1 C25 H22 N4 O3 InChI=1S/C25H22N4O3/c1-2-
    32-18-11-9-17(10-12-18)24
    -21-22(19-7-3-4-8-20(19)3
    0)27-28-23(21)25(31)29(24
    )15-16-6-5-13-26-14-16/h3
    -14,24,30H,2,15H2,1H3,(H,
    27,28)/t24-/m1/s1;
    OPUCTGDZUQCRQM-XMMPIXPASA-N    		 CCOc1ccc(cc1)C2c3c(n[nH]c3C(=O)N2Cc4cccn
    c4)c5ccccc5O; CCOc1ccc(cc1)[C@@H]2c3c(n[
    nH]c3C(=O)N2Cc4cccnc4)c5ccccc5O; CCOc1cc
    c(cc1)[CH]2N(Cc3cccnc3)C(=O)c4[nH]nc(c5c
    cccc5O)c24; CCOc1ccc(cc1)[C@H]2N(Cc3cccn
    c3)C(=O)c4[nH]nc(c5ccccc5O)c24    		 (4R)-4-(4-ethoxyphenyl)-3-(2-hydroxyphenyl)-5-(pyridin-3-ylmethyl)-1,4-dihydropyrrolo[3,4-c]pyrazol-6-one
    18440 EAG
    ZINC000034523738    		 0 C10 H20 N2 O6 InChI=1S/C10H20N2O6/c1-5(
    14)12-7-9(16)8(15)6(4-13)
    18-10(7)17-3-2-11/h6-10,1
    3,15-16H,2-4,11H2,1H3,(H,
    12,14)/t6-,7-,8-,9-,10-/m
    1/s1;
    QCTRCKYGWQLWGS-VVULQXIFSA-N    		 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO
    )O[C@H]1OCCN; CC(=O)NC1C(C(C(OC1OCCN)CO)
    O)O; O=C(NC1C(O)C(O)C(OC1OCCN)CO)C; CC(=
    O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCCN
    )CO)O)O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](
    CO)O[CH]1OCCN    		 2-aminoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside;
    2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside;
    2-AMINOETHYL N-ACETYL-D-GLUCOSAMINE;
    2-aminoethyl 2-acetamido-2-deoxy-beta-D-glucoside;
    2-aminoethyl 2-acetamido-2-deoxy-D-glucoside;
    2-aminoethyl 2-acetamido-2-deoxy-glucoside
    18441 EAH
    ZINC000064474589    		 5 C20 H32 O3 InChI=1S/C20H32O3/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-16-19(21)17-15-18-20(22
    )23/h6-7,9-14,19,21H,2-5,
    8,15-18H2,1H3,(H,22,23)/b
    7-6-,10-9-,12-11+,14-13+/
    t19-/m1/s1;
    DVGDBDLZYCUGNU-LBIUVHPXSA-N    		 CCCCC\C=C/C/C=C\C=C\C=C\C[C@@H](O)CCCC(O
    )=O; O=C(O)CCCC(O)C/C=C/C=C/C=C\C\C=C/CC
    CCC; CCCCCC=CCC=CC=CC=CC[CH](O)CCCC(O)=O
    ; CCCCCC=CCC=CC=CC=CCC(CCCC(=O)O)O; CCCC
    C\C=C/C\C=C/C=C/C=CC[C@H](CCCC(=O)O)O    		 (5S,7E,9E,11Z,14Z)-5-hydroxyicosa-7,9,11,14-tetraenoic acid
    18442 EAI 1 C17 H20 O5 InChI=1S/C17H20O5/c1-17(1
    6(20)21-2)9-8-14(18)13(10
    -17)15(19)22-11-12-6-4-3-
    5-7-12/h3-7,13H,8-11H2,1-
    2H3/t13-,17+/m0/s1;
    GCPXSVVUBYVMMX-SUMWQHHRSA-N    		 COC(=O)[C@]1(C)CCC(=O)[C@H](C1)C(=O)OCc2
    ccccc2; COC(=O)[C]1(C)CCC(=O)[CH](C1)C(=
    O)OCc2ccccc2; CC1(CCC(=O)C(C1)C(=O)OCc2c
    cccc2)C(=O)OC; C[C@]1(CCC(=O)[C@H](C1)C(
    =O)OCc2ccccc2)C(=O)OC    		 ~{O}1-methyl ~{O}3-(phenylmethyl) (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate
    18443 EAJ
    CHEMBL4168210
    ZINC000002574063    		 4 C14 H12 O3 InChI=1S/C14H12O3/c1-17-1
    3-8-3-2-7-12(13)10-5-4-6-
    11(9-10)14(15)16/h2-9H,1H
    3,(H,15,16);
    COUUHAJQLHMNJM-UHFFFAOYSA-N    		 COc1ccccc1c2cccc(c2)C(O)=O; COc1ccccc1c2
    cccc(c2)C(=O)O    		 3-(2-methoxyphenyl)benzoic acid
    18444 EAL
    CHEMBL577
    DB09477
    ZINC000003812851    		 2 C18 H24 N2 O5 InChI=1S/C18H24N2O5/c1-12
    (16(21)20-11-5-8-15(20)18
    (24)25)19-14(17(22)23)10-
    9-13-6-3-2-4-7-13/h2-4,6-
    7,12,14-15,19H,5,8-11H2,1
    H3,(H,22,23)(H,24,25)/t12
    -,14-,15-/m0/s1;
    LZFZMUMEGBBDTC-QEJZJMRPSA-N    		 CC(C(=O)N1CCCC1C(=O)O)NC(CCc2ccccc2)C(=O
    )O; C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N
    2CCC[CH]2C(O)=O; O=C(O)C2N(C(=O)C(NC(C(=
    O)O)CCc1ccccc1)C)CCC2; C[C@H](N[C@@H](CC
    c1ccccc1)C(O)=O)C(=O)N2CCC[C@H]2C(O)=O;
    C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](C
    Cc2ccccc2)C(=O)O    		 1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-L-PROLINE;
    ENALAPRILAT INHIBITOR
    18445 EAM
    CHEMBL1232461
    DB16239
    ZINC000058655571    		 6 C22 H22 Cl N5 O2 InChI=1S/C22H22ClN5O2/c1-
    4-24-20(29)12-18-22-27-26
    -13(2)28(22)19-10-9-16(30
    -3)11-17(19)21(25-18)14-5
    -7-15(23)8-6-14/h5-11,18H
    ,4,12H2,1-3H3,(H,24,29)/t
    18-/m0/s1;
    AAAQFGUYHFJNHI-SFHVURJKSA-N    		 Clc4ccc(C1=NC(c3nnc(n3c2c1cc(OC)cc2)C)CC
    (=O)NCC)cc4; CCNC(=O)CC1c2nnc(n2-c3ccc(c
    c3C(=N1)c4ccc(cc4)Cl)OC)C; CCNC(=O)C[C@H
    ]1c2nnc(n2-c3ccc(cc3C(=N1)c4ccc(cc4)Cl)O
    C)C; CCNC(=O)C[CH]1N=C(c2ccc(Cl)cc2)c3cc
    (OC)ccc3n4c(C)nnc14; CCNC(=O)C[C@@H]1N=C
    (c2ccc(Cl)cc2)c3cc(OC)ccc3n4c(C)nnc14    		 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide
    18446 EAN 0 C13 H17 N2 O8 P InChI=1S/C13H17N2O8P/c1-6
    -5-15(11(17)14-9(6)16)8-4
    -12(18)2-7-3-13(7,10(12)2
    2-8)23-24(19,20)21/h5,7-8
    ,10,18H,2-4H2,1H3,(H,14,1
    6,17)(H2,19,20,21)/t7-,8-
    ,10+,12+,13-/m1/s1;
    GOQODLUGMVNILT-ZIDZYHNGSA-N    		 CC1=CN(C(=O)NC1=O)C2CC3(CC4CC4(C3O2)OP(=
    O)(O)O)O; CC1=CN([CH]2C[C]3(O)C[CH]4C[C]
    4(O[P](O)(O)=O)[CH]3O2)C(=O)NC1=O; CC1=C
    N([C@H]2C[C@@]3(O)C[C@@H]4C[C@]4(O[P](O)
    (O)=O)[C@H]3O2)C(=O)NC1=O; CC1=CN(C(=O)N
    C1=O)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3
    O2)OP(=O)(O)O)O    		 [(1~{S},2~{R},4~{R},6~{S},8~{R})-8-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-6-oxidanyl-9-oxatricyclo[4.3.0.0^{2,4}]nonan-2-yl] dihydrogen phosphate
    18447 EAO
    CHEMBL167055
    ZINC000035645588    		 1 C12 H11 N O6 InChI=1S/C12H11NO6/c1-6(1
    4)9(7(2)15)3-8-4-10(13(18
    )19)12(17)11(16)5-8/h3-5,
    16-17H,1-2H3;
    UPMRZALMHVUCIN-UHFFFAOYSA-N    		 CC(=O)C(=Cc1cc(c(c(c1)O)O)[N+](=O)[O-])C
    (=O)C; CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O
    -])=O)C(C)=O    		 3-(3,4-dihydroxy-5-nitrobenzylidene)pentane-2,4-dione
    18448 EAP
    DB02907
    ZINC000006360400    		 0 C2 H6 N O4 P InChI=1S/C2H6NO4P/c3-1-2-
    7-8(4,5)6/h1-2H,3H2,(H2,4
    ,5,6)/b2-1+;
    KYMLMTPYCDIFEC-OWOJBTEDSA-N    		 NC=CO[P](O)(O)=O; N/C=C/O[P](O)(O)=O; C(
    =COP(=O)(O)O)N; O=P(O\C=C\N)(O)O    		 2-AMINO-VINYL-PHOSPHATE
    18449 EAQ 2 C20 H21 N6 O InChI=1S/C20H21N6O/c1-20(
    2,3)16-6-4-13(8-21-16)19(
    27)25-17-12-26-11-14(5-7-
    18(26)24-17)15-9-22-23-10
    -15/h4-12,24H,1-3H3,(H,22
    ,23)(H,25,27);
    DAHRTDKHKWJXCL-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cn1)C(=O)Nc2[nH]c3ccc(c[n]
    3c2)c4c[nH]nc4; CC(C)(C)c1ccc(cn1)C(=O)N
    C2=C[N]3=C(N2)C=CC(=C3)c4c[nH]nc4    		 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide
    18450 EAR
    CHEMBL4529959    		 1 C17 H16 Cl N3 O3 InChI=1S/C17H16ClN3O3/c1-
    3-24-16(23)10-20-11(2)8-1
    5(22)21-9-14(19-17(20)21)
    12-4-6-13(18)7-5-12/h4-9H
    ,3,10H2,1-2H3;
    RLGJDVZNHWILQI-UHFFFAOYSA-N    		 CCOC(=O)CN1C(=CC(=O)n2cc(nc12)c3ccc(Cl)c
    c3)C; CCOC(=O)CN1c2nc(cn2C(=O)C=C1C)c3cc
    c(cc3)Cl    		 ethyl 2-[2-(4-chlorophenyl)-7-methyl-5-oxidanylidene-imidazo[1,2-a]pyrimidin-8-yl]ethanoate
    18451 EAS
    CHEMBL4167713    		 1 C25 H27 Cl2 N5 O InChI=1S/C25H27Cl2N5O/c26
    -17-1-3-23-20(10-17)15(12
    -29-23)9-22(28)25(33)31-1
    9-5-7-32(8-6-19)14-16-13-
    30-24-4-2-18(27)11-21(16)
    24/h1-4,10-13,19,22,29-30
    H,5-9,14,28H2,(H,31,33)/t
    22-/m0/s1;
    BJPLGTMYTDRCKD-QFIPXVFZSA-N    		 c1cc2c(cc1Cl)c(c[nH]2)C[C@@H](C(=O)NC3CC
    N(CC3)Cc4c[nH]c5c4cc(cc5)Cl)N; N[C@@H](C
    c1c[nH]c2ccc(Cl)cc12)C(=O)NC3CCN(CC3)Cc4
    c[nH]c5ccc(Cl)cc45; c1cc2c(cc1Cl)c(c[nH]
    2)CC(C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)
    Cl)N; N[CH](Cc1c[nH]c2ccc(Cl)cc12)C(=O)N
    C3CCN(CC3)Cc4c[nH]c5ccc(Cl)cc45; n5c1ccc
    (Cl)cc1c(CC(C(NC4CCN(Cc3c2c(ccc(Cl)c2)nc
    3)CC4)=O)N)c5    		 5-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide
    18452 EAT
    CHEMBL2407928    		 2 C12 H15 N3 O2 InChI=1S/C12H15N3O2/c1-6-
    10(16)11(17)9(13-6)12-14-
    7-4-2-3-5-8(7)15-12/h2-6,
    9-11,13,16-17H,1H3,(H,14,
    15)/t6-,9+,10+,11-/m0/s1;
    WKDUAKZZRFRSAE-HCPDIIQCSA-N    		 OC3C(c2nc1ccccc1n2)NC(C)C3O; CC1C(C(C(N1
    )c2[nH]c3ccccc3n2)O)O; C[C@H]1[C@H]([C@H
    ]([C@@H](N1)c2[nH]c3ccccc3n2)O)O; C[CH]1
    N[CH]([CH](O)[CH]1O)c2[nH]c3ccccc3n2; C[
    C@@H]1N[C@H]([C@H](O)[C@@H]1O)c2[nH]c3cc
    ccc3n2    		 (2S,3S,4R,5S)-2-(1H-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol
    18453 EAU
    CHEMBL4208241    		 2 C16 H21 N7 O2 InChI=1S/C16H21N7O2/c17-1
    3-12(15(24)22-16(18)19)20
    -11(10-6-5-9-25-10)14(21-
    13)23-7-3-1-2-4-8-23/h5-6
    ,9H,1-4,7-8H2,(H2,17,21)(
    H4,18,19,22,24);
    XDWIBAHBFLHWJO-UHFFFAOYSA-N    		 [H]/N=C(/N)\NC(=O)c1c(nc(c(n1)c2ccco2)N3
    CCCCCC3)N; NC(=N)NC(=O)c1nc(c2occc2)c(nc
    1N)N3CCCCCC3; c1cc(oc1)c2c(nc(c(n2)C(=O)
    NC(=N)N)N)N3CCCCCC3    		 3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(furan-2-yl)pyrazine-2-carboxamide
    18454 EAV
    CHEMBL4175584    		 1 C26 H30 Cl N5 O InChI=1S/C26H30ClN5O/c1-1
    6-2-4-21-17(13-30-25(21)1
    0-16)11-23(28)26(33)31-20
    -6-8-32(9-7-20)15-18-14-2
    9-24-5-3-19(27)12-22(18)2
    4/h2-5,10,12-14,20,23,29-
    30H,6-9,11,15,28H2,1H3,(H
    ,31,33)/t23-/m0/s1;
    OWWMFASLJBNPBO-QHCPKHFHSA-N    		 Cc1ccc2c(C[C@H](N)C(=O)NC3CCN(CC3)Cc4c[n
    H]c5ccc(Cl)cc45)c[nH]c2c1; Cc1ccc2c(C[CH
    ](N)C(=O)NC3CCN(CC3)Cc4c[nH]c5ccc(Cl)cc4
    5)c[nH]c2c1; N(C(C(Cc2c1ccc(C)cc1nc2)N)=
    O)C3CCN(CC3)Cc4c5c(nc4)ccc(Cl)c5; Cc1ccc
    2c(c1)[nH]cc2C[C@@H](C(=O)NC3CCN(CC3)Cc4
    c[nH]c5c4cc(cc5)Cl)N; Cc1ccc2c(c1)[nH]cc
    2CC(C(=O)NC3CCN(CC3)Cc4c[nH]c5c4cc(cc5)C
    l)N    		 N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-6-methyl-L-tryptophanamide
    18455 EAW
    ZINC000020255888    		 2 C10 H13 Br N2 O2 S InChI=1S/C10H13BrN2O2S/c1
    1-9-5-1-2-6-10(9)12-16(14
    ,15)13-7-3-4-8-13/h1-2,5-
    6,12H,3-4,7-8H2;
    SKZKXVWQIHWABR-UHFFFAOYSA-N    		 Brc1ccccc1N[S](=O)(=O)N2CCCC2; c1ccc(c(c
    1)NS(=O)(=O)N2CCCC2)Br    		 N-(2-bromophenyl)pyrrolidine-1-sulfonamide
    18456 EAX
    ZINC000000901063    		 5 C4 H8 O5 InChI=1S/C4H8O5/c5-1-2(6)
    3(7)4(8)9/h2-3,5-7H,1H2,(
    H,8,9)/t2-,3-/m1/s1;
    JPIJQSOTBSSVTP-PWNYCUMCSA-N    		 OC[CH](O)[CH](O)C(O)=O; C([C@H]([C@H](C(
    =O)O)O)O)O; O=C(O)C(O)C(O)CO; OC[C@@H](O
    )[C@@H](O)C(O)=O; C(C(C(C(=O)O)O)O)O    		 (2R,3R)-2,3,4-trihydroxybutanoic acid;
    erythronic acid
    18457 EAY 1 C7 H7 N O4 InChI=1S/C7H7NO4/c8-5-4(6
    (9)10)2-1-3-12-7(5)11/h1-
    3,7-8,11H,(H,9,10)/b8-5+/
    t7-/m1/s1;
    UYPQDLOIVBUHNZ-KBUNYLKBSA-N    		 [H]/N=C\1/[C@@H](OC=CC=C1C(=O)O)O; O[CH]
    1OC=CC=C(C(O)=O)C1=N; O[C@@H]1OC=CC=C(C(
    O)=O)C1=N; [N@H]=C1C(C(O)=O)=CC=COC1O; C
    1=COC(C(=N)C(=C1)C(=O)O)O    		 (2R,3E)-2-hydroxy-3-imino-2,3-dihydrooxepine-4-carboxylic acid
    18458 EAZ
    CHEMBL5287080    		 3 C19 H24 N4 O InChI=1S/C19H24N4O/c1-12(
    2)6-16(20)11-24-17-7-15(9
    -21-10-17)14-4-5-19-18(8-
    14)13(3)22-23-19/h4-5,7-1
    0,12,16H,6,11,20H2,1-3H3,
    (H,22,23)/t16-/m0/s1;
    CEDLXWRFEZCVEU-INIZCTEOSA-N    		 Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OCC(CC(C)C)
    N; Cc1c2cc(ccc2n[nH]1)c3cc(cnc3)OC[C@H](
    CC(C)C)N; CC(C)C[C@H](N)COc1cncc(c1)c2cc
    c3n[nH]c(C)c3c2; CC(C)C[CH](N)COc1cncc(c
    1)c2ccc3n[nH]c(C)c3c2    		 (2~{S})-4-methyl-1-[5-(3-methyl-2~{H}-indazol-5-yl)pyridin-3-yl]oxy-pentan-2-amine
    18459 EB0
    CHEMBL3780398
    ZINC000001463014    		 1 C19 H15 F N2 O3 S InChI=1S/C19H15FN2O3S/c1-
    2-22-16-10-11-17(14-4-3-5
    -15(18(14)16)19(22)23)26(
    24,25)21-13-8-6-12(20)7-9
    -13/h3-11,21H,2H2,1H3;
    SUFMFRWLORNKTP-UHFFFAOYSA-N    		 CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)Nc4
    ccc(F)cc4; CCN1c2ccc(c3c2c(ccc3)C1=O)S(=
    O)(=O)Nc4ccc(cc4)F; CCN2C(=O)c1c3c(ccc1)
    c(ccc23)S(=O)(=O)Nc4ccc(F)cc4    		 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
    18460 EB1
    CHEMBL1908376
    DB04258
    ZINC000003925433    		 1 C30 H46 O3 InChI=1S/C30H46O3/c1-6-30
    (33,7-2)18-9-8-11-21(3)26
    -15-16-27-23(12-10-17-29(
    26,27)5)13-14-24-19-25(31
    )20-28(32)22(24)4/h8-9,11
    ,13-14,18,21,25-28,31-33H
    ,4,6-7,10,12,15-17,19-20H
    2,1-3,5H3/b11-8+,18-9+,23
    -13+,24-14-/t21-,25-,26-,
    27+,28+,29-/m1/s1;
    LVLLALCJVJNGQQ-SEODYNFXSA-N    		 OC3C(=C)/C(=C\C=C1/CCCC2(C)C(C(\C=C\C=C\
    C(O)(CC)CC)C)CCC12)CC(O)C3; CCC(O)(CC)C=
    CC=C[CH](C)[CH]1CC[CH]2C(CCC[C]12C)=CC=C
    3C[CH](O)C[CH](O)C3=C; CCC(CC)(C=C\C=C\[
    C@@H](C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\
    C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)O; CCC(O
    )(CC)/C=C/C=C/[C@@H](C)[C@H]1CC[C@H]2C(/
    CCC[C@]12C)=C/C=C3/C[C@@H](O)C[C@H](O)C3
    =C; CCC(CC)(C=CC=CC(C)C1CCC2C1(CCCC2=CC=
    C3CC(CC(C3=C)O)O)C)O    		 SEOCALCITOL;
    5-{2-[1-(6-ETHYL-6-HYDROXY-1-METHYL-OCTA-2,4-DIENYL)-7A-METHYL-OCTAHYDRO-INDEN-4-YLIDENE]-ETHYLIDENE}-4-METHYLENE-CYCLO HEXANE-1,3-DIOL;
    22-24-DIENE-24A,26A,27A,TRIHOMO-1ALPHA,25-DIHYDROXYVITAMIN D3
    18461 EB2
    CHEMBL3781752
    ZINC000263621072    		 1 C20 H24 N2 O3 S InChI=1S/C20H24N2O3S/c1-2
    -22-17-12-13-18(15-10-7-1
    1-16(19(15)17)20(22)23)26
    (24,25)21-14-8-5-3-4-6-9-
    14/h7,10-14,21H,2-6,8-9H2
    ,1H3;
    TWESOBGJQLUFED-UHFFFAOYSA-N    		 CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(=O)NC4
    CCCCCC4; CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)
    (=O)NC4CCCCCC4; C1CCCCCC1NS(=O)(c2c4c3c(
    cc2)N(C(c3ccc4)=O)CC)=O    		 N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
    18462 EB3
    CHEMBL3781471
    ZINC000000956877    		 1 C19 H22 N2 O3 S InChI=1S/C19H22N2O3S/c1-2
    -21-16-11-12-17(14-9-6-10
    -15(18(14)16)19(21)22)25(
    23,24)20-13-7-4-3-5-8-13/
    h6,9-13,20H,2-5,7-8H2,1H3;
    JFSBLFHOLQSPDO-UHFFFAOYSA-N    		 CCN1c2ccc(c3c2c(ccc3)C1=O)S(=O)(=O)NC4CC
    CCC4; CCN1C(=O)c2cccc3c(ccc1c23)[S](=O)(
    =O)NC4CCCCC4; C1C(CCCC1)NS(=O)(c3ccc2N(C
    (c4c2c3ccc4)=O)CC)=O    		 N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
    18463 EB4
    CHEMBL432995    		 20 C30 H27 N3 O15 InChI=1S/C30H27N3O15/c34-
    19-7-1-4-13(22(19)37)25(4
    0)31-16-10-46-29(44)18(33
    -27(42)15-6-3-9-21(36)24(
    15)39)12-48-30(45)17(11-4
    7-28(16)43)32-26(41)14-5-
    2-8-20(35)23(14)38/h1-9,1
    6-18,34-39H,10-12H2,(H,31
    ,40)(H,32,41)(H,33,42)/t1
    6-,17-,18-/m0/s1;
    SERBHKJMVBATSJ-BZSNNMDCSA-N    		 O=C2OCC(C(=O)OCC(C(=O)OCC2NC(=O)c1cccc(O
    )c1O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c
    4O; c1cc(c(c(c1)O)O)C(=O)NC2COC(=O)C(COC
    (=O)C(COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4
    cccc(c4O)O; Oc1cccc(C(=O)N[C@H]2COC(=O)[
    C@H](COC(=O)[C@H](COC2=O)NC(=O)c3cccc(O)
    c3O)NC(=O)c4cccc(O)c4O)c1O; c1cc(c(c(c1)
    O)O)C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H
    ](COC2=O)NC(=O)c3cccc(c3O)O)NC(=O)c4cccc
    (c4O)O; Oc1cccc(C(=O)N[CH]2COC(=O)[CH](C
    OC(=O)[CH](COC2=O)NC(=O)c3cccc(O)c3O)NC(
    =O)c4cccc(O)c4O)c1O    		 N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-1,5,9-trioxacyclododecane-3,7,11-triyl]tris(2,3-dihydroxybenzamide);
    Enterobactin
    18464 EB5
    CHEMBL3780093
    ZINC000005598026    		 1 C15 H16 N2 O3 S InChI=1S/C15H16N2O3S/c1-3
    -16-21(19,20)13-9-8-12-14
    -10(13)6-5-7-11(14)15(18)
    17(12)4-2/h5-9,16H,3-4H2,
    1-2H3;
    AQNBGQLJCYVCBR-UHFFFAOYSA-N    		 CCNS(=O)(c2ccc1N(C(c3c1c2ccc3)=O)CC)=O;
    CCN[S](=O)(=O)c1ccc2N(CC)C(=O)c3cccc1c23
    ; CCNS(=O)(=O)c1ccc2c3c1cccc3C(=O)N2CC    		 N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
    18465 EB6 1 C33 H27 N O7 InChI=1S/C33H27NO7/c1-39-
    26-18-14-23(30(35)21-26)1
    5-19-31(36)41-25-16-12-22
    (13-17-25)20-29(33(38)40-
    2)34-28-11-7-6-10-27(28)3
    2(37)24-8-4-3-5-9-24/h3-1
    4,16-18,21,29,34-35H,20H2
    ,1-2H3/t29-/m0/s1;
    CEHNFAIQCQNZKE-LJAQVGFWSA-N    		 COC(=O)[CH](Cc1ccc(OC(=O)C#Cc2ccc(OC)cc2
    O)cc1)Nc3ccccc3C(=O)c4ccccc4; COc1ccc(c(
    c1)O)C#CC(=O)Oc2ccc(cc2)C[C@@H](C(=O)OC)
    Nc3ccccc3C(=O)c4ccccc4; COC(=O)[C@H](Cc1
    ccc(OC(=O)C#Cc2ccc(OC)cc2O)cc1)Nc3ccccc3
    C(=O)c4ccccc4; COc1ccc(c(c1)O)C#CC(=O)Oc
    2ccc(cc2)CC(C(=O)OC)Nc3ccccc3C(=O)c4cccc
    c4    		 methyl (2~{S})-3-[4-[3-(4-methoxy-2-oxidanyl-phenyl)prop-2-ynoyloxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoate
    18466 EB7
    CHEMBL3780706
    ZINC000263620618    		 1 C19 H14 Cl F N2 O3 S InChI=1S/C19H14ClFN2O3S/c
    1-2-23-16-8-7-15(12-4-3-5
    -13(18(12)16)19(23)24)22-
    27(25,26)17-9-6-11(21)10-
    14(17)20/h3-10,22H,2H2,1H
    3;
    JRNIXDMQFKHQLE-UHFFFAOYSA-N    		 CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccc(F)cc
    4Cl)ccc1c23; CCN1c2ccc(c3c2c(ccc3)C1=O)N
    S(=O)(=O)c4ccc(cc4Cl)F; Clc1cc(F)ccc1S(=
    O)(=O)Nc2c4c3c(cc2)N(C(c3ccc4)=O)CC    		 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide
    18467 EB8
    CHEMBL3780234
    ZINC000263621250    		 1 C21 H18 N2 O5 S InChI=1S/C21H18N2O5S/c1-3
    -23-17-12-11-16(13-8-6-9-
    15(19(13)17)20(23)24)22-2
    9(26,27)18-10-5-4-7-14(18
    )21(25)28-2/h4-12,22H,3H2
    ,1-2H3;
    XYXMTYNVLDJNPM-UHFFFAOYSA-N    		 CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccccc4C(
    =O)OC)ccc1c23; CCN1c2ccc(c3c2c(ccc3)C1=O
    )NS(=O)(=O)c4ccccc4C(=O)OC; CCN1c3c2c(C1
    =O)cccc2c(cc3)NS(=O)(c4c(cccc4)C(OC)=O)=
    O    		 methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate
    18468 EB9
    CHEMBL3781755
    ZINC000000754466    		 1 C19 H16 N2 O3 S InChI=1S/C19H16N2O3S/c1-2
    -21-17-12-11-16(14-9-6-10
    -15(18(14)17)19(21)22)20-
    25(23,24)13-7-4-3-5-8-13/
    h3-12,20H,2H2,1H3;
    LIRJKOSHTDJEPJ-UHFFFAOYSA-N    		 CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4cc
    ccc4; CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4cc
    ccc4)ccc1c23; CCN2C(=O)c1c3c(ccc1)c(ccc2
    3)NS(=O)(=O)c4ccccc4    		 N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
    18469 EBB
    CHEMBL5186007    		 4 C15 H14 N4 O S InChI=1S/C15H14N4OS/c1-9-
    4-5-11-13(10(9)2)18-12(19
    -14(11)20)8-21-15-16-6-3-
    7-17-15/h3-7H,8H2,1-2H3,(
    H,18,19,20);
    NHFMMPLQVIZDPX-UHFFFAOYSA-N    		 Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ncccn3; Cc1cc
    c2c(c1C)N=C(NC2=O)CSc3ncccn3    		 7,8-dimethyl-2-(pyrimidin-2-ylsulfanylmethyl)-3~{H}-quinazolin-4-one
    18470 EBC
    CHEMBL1911792
    ZINC000004748387    		 1 C6 H10 I2 N2 O2 InChI=1S/C6H10I2N2O2/c7-3
    -5(11)9-1-2-10-6(12)4-8/h
    1-4H2,(H,9,11)(H,10,12);
    RLFPCLMBTQOMLI-UHFFFAOYSA-N    		 ICC(=O)NCCNC(=O)CI; C(CNC(=O)CI)NC(=O)CI
    ; O=C(NCCNC(=O)CI)CI    		 N,N'-ethane-1,2-diylbis(2-iodoacetamide)
    18471 EBD
    ZINC000044460275    		 1 C19 H19 N7 InChI=1S/C19H19N7/c1-12-1
    1-21-19(22-15-6-2-13(3-7-
    15)8-9-20)24-18(12)23-17-
    10-16(25-26-17)14-4-5-14/
    h2-3,6-7,10-11,14H,4-5,8H
    2,1H3,(H3,21,22,23,24,25,
    26);
    IGDWIVFULVHAOF-UHFFFAOYSA-N    		 Cc1cnc(nc1Nc2cc([nH]n2)C3CC3)Nc4ccc(cc4)
    CC#N; Cc1cnc(Nc2ccc(CC#N)cc2)nc1Nc3cc([n
    H]n3)C4CC4    		 [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-methylpyrimidin-2-yl}amino)phenyl]acetonitrile
    18472 EBE 3 C19 H16 F N3 O2 InChI=1S/C19H16FN3O2/c1-1
    2-21-10-15(11-22-12)13-6-
    8-14(9-7-13)18(19(24)23-2
    5)16-4-2-3-5-17(16)20/h2-
    11,18,25H,1H3,(H,23,24)/t
    18-/m0/s1;
    SFXMVIQZYOMYOF-SFHVURJKSA-N    		 Cc1ncc(cn1)c2ccc(cc2)[C@H](C(=O)NO)c3ccc
    cc3F; Cc1ncc(cn1)c2ccc(cc2)[C@@H](c3cccc
    c3F)C(=O)NO; Cc1ncc(cn1)c2ccc(cc2)C(c3cc
    ccc3F)C(=O)NO; Cc1ncc(cn1)c2ccc(cc2)[CH]
    (C(=O)NO)c3ccccc3F    		 (2~{S})-2-(2-fluorophenyl)-2-[4-(2-methylpyrimidin-5-yl)phenyl]-~{N}-oxidanyl-ethanamide
    18473 EBF
    CHEMBL49732
    ZINC000000391177    		 1 C10 H8 O3 InChI=1S/C10H8O3/c1-12-8-
    4-2-7-3-5-10(11)13-9(7)6-
    8/h2-6H,1H3;
    LIIALPBMIOVAHH-UHFFFAOYSA-N    		 COc1ccc2C=CC(=O)Oc2c1; COc1ccc2c(c1)OC(=
    O)C=C2    		 7-methoxychromen-2-one
    18474 EBG
    DB02645
    ZINC000033821285    		 4 C10 H18 O7 InChI=1S/C10H18O7/c11-3-6
    -7(12)8(13)9(14)10(17-6)1
    5-2-1-5-4-16-5/h5-14H,1-4
    H2/t5-,6+,7+,8-,9+,10-/m0
    /s1;
    RZSIARIQGABJJE-DLXYEPTOSA-N    		 OC[C@H]1O[C@H](OCC[C@H]2CO2)[C@H](O)[C@@
    H](O)[C@@H]1O; C1C(O1)CCOC2C(C(C(C(O2)CO
    )O)O)O; OC[CH]1O[CH](OCC[CH]2CO2)[CH](O)
    [CH](O)[CH]1O; O(CCC1OC1)C2OC(C(O)C(O)C2
    O)CO; C1[C@@H](O1)CCO[C@@H]2[C@@H]([C@H]
    ([C@@H]([C@H](O2)CO)O)O)O    		 2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside;
    2-HYDROXYMETHYL-6-(2-OXIRANYL-ETHOXY)-TETRAHYDRO-PYRAN-3,4,5-TRIOL;
    3,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE;
    2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucoside;
    2-[(2S)-oxiran-2-yl]ethyl D-glucoside;
    2-[(2S)-oxiran-2-yl]ethyl glucoside
    18475 EBH
    DB03335
    ZINC000003861677    		 4 C3 H7 Br O InChI=1S/C3H7BrO/c1-3(5)2
    -4/h3,5H,2H2,1H3/t3-/m0/s
    1;
    WEGOLYBUWCMMMY-VKHMYHEASA-N    		 C[C@H](O)CBr; C[C@@H](CBr)O; CC(CBr)O; C
    [CH](O)CBr; BrCC(O)C    		 (2S)-1-bromopropan-2-ol
    18476 EBI
    CHEMBL575448
    DB15399
    ZINC000043203317    		 1 C23 H24 F N9 O InChI=1S/C23H24FN9O/c1-23
    (21(34)26-15-7-8-18(24)25
    -13-15)9-3-10-32(23)22-28
    -20(17-4-2-11-33(17)31-22
    )27-19-12-16(29-30-19)14-
    5-6-14/h2,4,7-8,11-14H,3,
    5-6,9-10H2,1H3,(H,26,34)(
    H2,27,28,29,30,31)/t23-/m
    0/s1;
    LQVXSNNAFNGRAH-QHCPKHFHSA-N    		 CC1(CCCN1c2nc(c3cccn3n2)Nc4cc(n[nH]4)C5C
    C5)C(=O)Nc6ccc(nc6)F; C[C]1(CCCN1c2nn3cc
    cc3c(Nc4[nH]nc(c4)C5CC5)n2)C(=O)Nc6ccc(F
    )nc6; C[C@]1(CCCN1c2nn3cccc3c(Nc4[nH]nc(
    c4)C5CC5)n2)C(=O)Nc6ccc(F)nc6; C[C@]1(CC
    CN1c2nc(c3cccn3n2)Nc4cc(n[nH]4)C5CC5)C(=
    O)Nc6ccc(nc6)F; Fc1ncc(cc1)NC(=O)C6(N(c3
    nn2c(ccc2)c(n3)Nc4cc(nn4)C5CC5)CCC6)C    		 1-{4-[(3-cyclopropyl-1H-pyrazol-5-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl}-N-(6-fluoropyridin-3-yl)-2-methyl-L-proli namide;
    BMS-754807
    18477 EBJ
    ZINC000012405203    		 4 C2 H3 N3 S InChI=1S/C2H3N3S/c6-2-1-3
    -5-4-2/h1H,(H2,3,4,5,6);
    LLCOQBODWBFTDD-UHFFFAOYSA-N    		 Sc1nnnc1; Sc1[nH]nnc1; c1c([nH]nn1)S 1H-1,2,3-triazole-5-thiol
    18478 EBK
    CHEMBL3357688
    ZINC000140233955    		 2 C22 H26 Cl2 N6 O2 S InChI=1S/C22H26Cl2N6O2S/c
    1-14-21(15(2)29(4)26-14)2
    7-33(31,32)22-18(23)11-17
    (12-19(22)24)16-5-6-25-20
    (13-16)30-9-7-28(3)8-10-3
    0/h5-6,11-13,27H,7-10H2,1
    -4H3;
    GQRWEJRYCBEXLY-UHFFFAOYSA-N    		 CN1CCN(CC1)c2cc(ccn2)c3cc(Cl)c(c(Cl)c3)[
    S](=O)(=O)Nc4c(C)nn(C)c4C; Cc1c(c(n(n1)C
    )C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccnc(c3)N4CC
    N(CC4)C)Cl    		 2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
    18479 EBL
    CHEMBL5205388    		 1 C26 H29 Cl F2 N6 O3 InChI=1S/C26H29ClF2N6O3/c
    1-13-7-16(36)11-35(10-13)
    25-30-9-18(27)23(33-25)31
    -15-5-6-19-17(8-15)20-21(
    24(37)34(19)2)38-12-26(28
    ,29)22(32-20)14-3-4-14/h5
    -6,8-9,13-14,16,22,32,36H
    ,3-4,7,10-12H2,1-2H3,(H,3
    0,31,33)/t13-,16+,22-/m0/
    s1;
    GSGDUDAFETZSPM-IATAILRESA-N    		 C[C@H]1C[C@@H](O)CN(C1)c2ncc(Cl)c(Nc3ccc
    4N(C)C(=O)C5=C(N[C@@H](C6CC6)C(F)(F)CO5)
    c4c3)n2; C[CH]1C[CH](O)CN(C1)c2ncc(Cl)c(
    Nc3ccc4N(C)C(=O)C5=C(N[CH](C6CC6)C(F)(F)
    CO5)c4c3)n2; C[C@H]1C[C@H](CN(C1)c2ncc(c
    (n2)Nc3ccc4c(c3)C5=C(C(=O)N4C)OCC([C@@H]
    (N5)C6CC6)(F)F)Cl)O; CC1CC(CN(C1)c2ncc(c
    (n2)Nc3ccc4c(c3)C5=C(C(=O)N4C)OCC(C(N5)C
    6CC6)(F)F)Cl)O    		 (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one
    18480 EBM
    ZINC000000288523    		 2 C10 H12 I N O InChI=1S/C10H12INO/c1-7(2
    )12-10(13)8-5-3-4-6-9(8)1
    1/h3-7H,1-2H3,(H,12,13);
    PSGIDUPRPSJZRV-UHFFFAOYSA-N    		 CC(C)NC(=O)c1ccccc1I 2-iodo-N-(1-methylethyl)benzamide
    18481 EBN
    CHEMBL3344321    		 1 C28 H46 Cl2 N8 O3 InChI=1S/C28H46Cl2N8O3/c2
    9-21-12-9-19(15-22(21)30)
    16-25(39)37-24(6-2-4-14-3
    2)27(41)38-23(5-1-3-13-31
    )26(40)35-17-18-7-10-20(1
    1-8-18)36-28(33)34/h9,12,
    15,18,20,23-24H,1-8,10-11
    ,13-14,16-17,31-32H2,(H,3
    5,40)(H,37,39)(H,38,41)(H
    4,33,34,36)/t18-,20-,23-,
    24-/m0/s1;
    OWKCLMWSCHVRNJ-BTDFZRAWSA-N    		 NCCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)Cc1cc
    c(Cl)c(Cl)c1)C(=O)NC[C@H]2CC[C@@H](CC2)N
    C(N)=N; NCCCC[CH](NC(=O)[CH](CCCCN)NC(=O
    )Cc1ccc(Cl)c(Cl)c1)C(=O)NC[CH]2CC[CH](CC
    2)NC(N)=N; c1cc(c(cc1CC(=O)NC(CCCCN)C(=O
    )NC(CCCCN)C(=O)NCC2CCC(CC2)NC(=N)N)Cl)Cl
    ; [H]/N=C(\N)/NC1CCC(CC1)CNC(=O)[C@H](CC
    CCN)NC(=O)[C@H](CCCCN)NC(=O)Cc2ccc(c(c2)
    Cl)Cl; Clc1ccc(cc1Cl)CC(=O)NC(C(=O)NC(C(
    =O)NCC2CCC(NC(=[N@H])N)CC2)CCCCN)CCCCN    		 (S)-6-amino-N-((S)-6-amino-1-(((1r,4S)-4-guanidinocyclohexyl)methylamino)-1-oxohexan-2-yl)-2-(2-(3,4-dichlorophenyl)acetamido)hexanamide;
    3,4-dichlorophenylacetyl-Lys-Lys-GCMA
    18482 EBO 8 C16 H24 N3 O8 P S InChI=1S/C16H24N3O8PS/c1-
    9-14(20)11(10(6-18-9)8-28
    (25,26)27)7-19-13(16(23)2
    4)3-5-29-4-2-12(17)15(21)
    22/h6-7,12-13,20H,2-5,8,1
    7H2,1H3,(H,21,22)(H,23,24
    )(H2,25,26,27)/b19-7+/t12
    -,13-/m0/s1;
    QGHPUHOZHNBFHZ-VNBISDOUSA-N    		 Cc1c(c(c(cn1)CP(=O)(O)O)/C=N/[C@@H](CCSC
    C[C@@H](C(=O)O)N)C(=O)O)O; Cc1ncc(C[P](O
    )(O)=O)c(C=N[CH](CCSCC[CH](N)C(O)=O)C(O)
    =O)c1O; Cc1ncc(C[P](O)(O)=O)c(C=N[C@@H](
    CCSCC[C@H](N)C(O)=O)C(O)=O)c1O; Cc1c(c(c
    (cn1)CP(=O)(O)O)C=NC(CCSCCC(C(=O)O)N)C(=
    O)O)O    		 (2~{S})-2-azanyl-4-[(3~{S})-3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonomethyl)pyridin-4-yl]methylideneamino]-4-oxidanyl-4-oxidanylidene-butyl]sulfanyl-butanoic acid
    18483 EBP
    DB02138
    ZINC000002046934    		 9 C12 H19 O3 P InChI=1S/C12H19O3P/c1-4-1
    4-16(13,15-5-2)10-12-8-6-
    11(3)7-9-12/h6-9H,4-5,10H
    2,1-3H3;
    QKGBKPZAXXBLJE-UHFFFAOYSA-N    		 O=P(OCC)(OCC)Cc1ccc(cc1)C; CCO[P](=O)(Cc
    1ccc(C)cc1)OCC; CCOP(=O)(Cc1ccc(cc1)C)OC
    C    		 DIETHYL 4-METHYLBENZYLPHOSPHONATE
    18484 EBQ 1 C10 H20 O7 InChI=1S/C10H20O7/c1-5(12
    )2-3-16-10-9(15)8(14)7(13
    )6(4-11)17-10/h5-15H,2-4H
    2,1H3/t5-,6+,7+,8-,9+,10-
    /m0/s1;
    IQTXPPTUXXJFDH-DLXYEPTOSA-N    		 CC(CCOC1C(C(C(C(O1)CO)O)O)O)O; C[C@@H](C
    CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO
    )O)O)O)O; C[C@H](O)CCO[C@H]1O[C@H](CO)[C
    @@H](O)[C@H](O)[C@H]1O; C[CH](O)CCO[CH]1
    O[CH](CO)[CH](O)[CH](O)[CH]1O    		 (3S)-3-hydroxybutyl alpha-D-glucopyranoside;
    (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol;
    reacted 3R,4-EPOXYBUTYL-ALPHA-D-GLUCOPYRANOSIDE;
    (3S)-3-hydroxybutyl alpha-D-glucoside;
    (3S)-3-hydroxybutyl D-glucoside;
    (3S)-3-hydroxybutyl glucoside
    18485 EBR 1 C16 H19 N2 O6 P InChI=1S/C16H19N2O6P/c1-1
    1-16(20)15(13(8-18-11)10-
    24-25(21,22)23)9-17-7-6-1
    2-2-4-14(19)5-3-12/h2-5,7
    -9,18-20H,6,10H2,1H3,(H2,
    21,22,23)/b15-9-,17-7-;
    DXNWHWZTDLTPAE-VHWRWSQTSA-N    		 CC1=C(/C(=C\N=C/Cc2ccc(cc2)O)/C(=CN1)COP
    (=O)(O)O)O; CC1=C(C(=CN=CCc2ccc(cc2)O)C(
    =CN1)COP(=O)(O)O)O; CC1=C(O)C(=CN=CCc2cc
    c(O)cc2)C(=CN1)CO[P](O)(O)=O; CC1=C(O)\C
    (=C/N=CCc2ccc(O)cc2)C(=CN1)CO[P](O)(O)=O    		 [(4Z)-4-[[(Z)-2-(4-hydroxyphenyl)ethylideneamino]methylidene]-6-methyl-5-oxidanyl-1H-pyridin-3-yl]methyl dihydrogen phosphate
    18486 EBS
    ZINC000017781867    		 5 C18 H18 N4 O6 S4 InChI=1S/C18H18N4O6S4/c1-
    3-21-13-7-5-11(31(23,24)2
    5)9-15(13)29-17(21)19-20-
    18-22(4-2)14-8-6-12(32(26
    ,27)28)10-16(14)30-18/h5-
    10H,3-4H2,1-2H3,(H,23,24,
    25)(H,26,27,28)/b19-17-,2
    0-18+;
    ZTOJFFHGPLIVKC-YAFCTCPESA-N    		 O=S(=O)(O)c1ccc2N(C(/Sc2c1)=N\N=C4/Sc3cc
    (ccc3N4CC)S(=O)(=O)O)CC; CCN1C(Sc2cc(ccc
    12)[S](O)(=O)=O)=NN=C3Sc4cc(ccc4N3CC)[S]
    (O)(=O)=O; CCN1c2ccc(cc2SC1=NN=C3N(c4ccc
    (cc4S3)S(=O)(=O)O)CC)S(=O)(=O)O; CCN1\C(
    Sc2cc(ccc12)[S](O)(=O)=O)=N/N=C/3Sc4cc(c
    cc4N/3CC)[S](O)(=O)=O    		 3-ETHYL-2-[(2Z)-2-(3-ETHYL-6-SULFO-1,3-BENZOTHIAZOL-2(3H)-YLIDENE)HYDRAZINO]-6-SULFO-3H-1,3-BENZOTHIAZOL-1-IUM
    18487 EBT
    CHEMBL90621
    ZINC000002545165    		 2 C16 H24 N2 O4 InChI=1S/C16H24N2O4/c1-10
    (2)8-13(16(21)22)18-15(20
    )14(19)12(17)9-11-6-4-3-5
    -7-11/h3-7,10,12-14,19H,8
    -9,17H2,1-2H3,(H,18,20)(H
    ,21,22)/t12-,13+,14-/m1/s
    1;
    VGGGPCQERPFHOB-HZSPNIEDSA-N    		 O=C(O)C(NC(=O)C(O)C(N)Cc1ccccc1)CC(C)C;
    CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](
    Cc1ccccc1)N)O; CC(C)C[C@H](NC(=O)[C@H](O
    )[C@H](N)Cc1ccccc1)C(O)=O; CC(C)CC(C(=O)
    O)NC(=O)C(C(Cc1ccccc1)N)O; CC(C)C[CH](NC
    (=O)[CH](O)[CH](N)Cc1ccccc1)C(O)=O    		 N-[(2R,3R)-3-amino-2-hydroxy-4-phenylbutanoyl]-L-leucine;
    Epibestatin
    18488 EBU 2 C46 H56 N10 O6 InChI=1S/C46H56N10O6/c47-
    34(24-29-12-2-1-3-13-29)4
    0(57)53-37-26-31-28-55(39
    -18-7-5-15-33(31)39)22-9-
    8-19-46(20-11-23-56(46)42
    (59)36(52-41(37)58)17-10-
    21-50-45(48)49)44(62)54-3
    8(43(60)61)25-30-27-51-35
    -16-6-4-14-32(30)35/h1-7,
    12-16,18,27-28,34,36-38,5
    1H,8-11,17,19-26,47H2,(H,
    52,58)(H,53,57)(H,54,62)(
    H,60,61)(H4,48,49,50)/t34
    -,36-,37-,38-,46-/m0/s1;
    HTMSDDNRAPLISB-FTROUKIFSA-N    		 N[C@@H](Cc1ccccc1)C(=O)N[C@H]2Cc3cn(CCCC
    [C@]4(CCCN4C(=O)[C@H](CCCNC(N)=N)NC2=O)C
    (=O)N[C@@H](Cc5c[nH]c6ccccc56)C(O)=O)c7c
    cccc37; N[CH](Cc1ccccc1)C(=O)N[CH]2Cc3cn
    (CCCC[C]4(CCCN4C(=O)[CH](CCCNC(N)=N)NC2=
    O)C(=O)N[CH](Cc5c[nH]c6ccccc56)C(O)=O)c7
    ccccc37; c1ccc(cc1)CC(C(=O)NC2Cc3cn(c4c3
    cccc4)CCCCC5(CCCN5C(=O)C(NC2=O)CCCNC(=N)
    N)C(=O)NC(Cc6c[nH]c7c6cccc7)C(=O)O)N; [H
    ]/N=C(/N)\NCCC[C@H]1C(=O)N2CCC[C@@]2(CCC
    Cn3cc(c4c3cccc4)C[C@@H](C(=O)N1)NC(=O)[C
    @H](Cc5ccccc5)N)C(=O)N[C@@H](Cc6c[nH]c7c
    6cccc7)C(=O)O    		 pepide inhibtor
    18489 EBV 1 C26 H28 Cl N5 O InChI=1S/C26H28ClN5O/c27-
    20-5-6-25-22(8-20)17(10-3
    0-25)11-31-12-18-14-32(15
    -19(18)13-31)26(33)23(28)
    7-16-9-29-24-4-2-1-3-21(1
    6)24/h1-6,8-10,18-19,23,2
    9-30H,7,11-15,28H2/t18-,1
    9+,23-/m0/s1;
    HTHTZBDFQBOXDD-YYDVJCTNSA-N    		 c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N3C[C@H
    ]4CN(C[C@H]4C3)Cc5c[nH]c6c5cc(cc6)Cl)N;
    N[CH](Cc1c[nH]c2ccccc12)C(=O)N3C[CH]4CN(
    C[CH]4C3)Cc5c[nH]c6ccc(Cl)cc56; n5cc(CC(
    C(=O)N3CC4CN(Cc2c1c(ccc(Cl)c1)nc2)CC4C3)
    N)c6c5cccc6; c1ccc2c(c1)c(c[nH]2)CC(C(=O
    )N3CC4CN(CC4C3)Cc5c[nH]c6c5cc(cc6)Cl)N;
    N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N3C[C@@H]
    4CN(C[C@@H]4C3)Cc5c[nH]c6ccc(Cl)cc56    		 (2S)-2-amino-1-[(3aR,6aS)-5-[(5-chloro-1H-indol-3-yl)methyl]hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-3-(1H-indol-3-yl)propan-1-one
    18490 EBW
    CHEMBL140020
    ZINC000003814201    		 5 C27 H38 N2 O InChI=1S/C27H38N2O/c1-7-2
    1-28(3,4)25-15-9-23(10-16
    -25)13-19-27(30)20-14-24-
    11-17-26(18-12-24)29(5,6)
    22-8-2/h7-12,15-18H,1-2,1
    3-14,19-22H2,3-6H3/q+2;
    ZAEXMNKDGJNLTA-UHFFFAOYSA-N    		 O=C(CCc1ccc(cc1)[N+](C\C=C)(C)C)CCc2ccc(
    cc2)[N+](C)(C\C=C)C; C[N+](C)(CC=C)c1ccc
    (cc1)CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C;
    C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[
    N+](C)(C)CC=C)cc1    		 4-(5-{4-[DIMETHYL(PROP-2-ENYL)AMMONIO]PHENYL}-3-OXOPENTYL)-N,N-DIMETHYL-N-PROP-2-ENYLBENZENAMINIUM
    18491 EBX 3 C22 H26 N4 O5 InChI=1S/C22H26N4O5/c1-6-
    13(15-9-12(10-31-15)11(2)
    3)24-16-17(21(29)20(16)28
    )25-14-7-8-23-18(19(14)27
    )22(30)26(4)5/h7-11,13,24
    ,27H,6H2,1-5H3,(H,23,25)/
    t13-/m1/s1;
    JSZQMZJVSCVDMA-CYBMUJFWSA-N    		 CC[C@H](c1cc(co1)C(C)C)NC2=C(C(=O)C2=O)N
    c3ccnc(c3O)C(=O)N(C)C; CC[CH](NC1=C(Nc2c
    cnc(c2O)C(=O)N(C)C)C(=O)C1=O)c3occ(c3)C(
    C)C; CC[C@@H](NC1=C(Nc2ccnc(c2O)C(=O)N(C
    )C)C(=O)C1=O)c3occ(c3)C(C)C; CCC(c1cc(co
    1)C(C)C)NC2=C(C(=O)C2=O)Nc3ccnc(c3O)C(=O
    )N(C)C    		 4-[[3,4-bis(oxidanylidene)-2-[[(1~{R})-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-~{N},~{N}-dimethyl-3-oxidanyl-pyridine-2-carboxamide
    18492 EBY
    CHEMBL4162049    		 1 C26 H30 Cl N5 O InChI=1S/C26H30ClN5O/c1-1
    6-2-4-24-21(10-16)17(13-2
    9-24)11-23(28)26(33)31-20
    -6-8-32(9-7-20)15-18-14-3
    0-25-5-3-19(27)12-22(18)2
    5/h2-5,10,12-14,20,23,29-
    30H,6-9,11,15,28H2,1H3,(H
    ,31,33)/t23-/m0/s1;
    ORZWUMKDZDLNTJ-QHCPKHFHSA-N    		 Cc1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)NC3CCN
    (CC3)Cc4c[nH]c5c4cc(cc5)Cl)N; NC(Cc2cnc1
    ccc(C)cc12)C(=O)NC5CCN(Cc4cnc3ccc(cc34)C
    l)CC5; Cc1ccc2[nH]cc(C[C@H](N)C(=O)NC3CC
    N(CC3)Cc4c[nH]c5ccc(Cl)cc45)c2c1; Cc1ccc
    2c(c1)c(c[nH]2)CC(C(=O)NC3CCN(CC3)Cc4c[n
    H]c5c4cc(cc5)Cl)N; Cc1ccc2[nH]cc(C[CH](N
    )C(=O)NC3CCN(CC3)Cc4c[nH]c5ccc(Cl)cc45)c
    2c1    		 N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-5-methyl-L-tryptophanamide
    18493 EBZ
    CHEMBL519344
    ZINC000003875393    		 2 C19 H27 N O3 InChI=1S/C19H27NO3/c1-12(
    2)7-14-11-20-6-5-13-8-18(
    22-3)19(23-4)9-15(13)16(2
    0)10-17(14)21/h8-9,12,14,
    16H,5-7,10-11H2,1-4H3/t14
    -,16-/m0/s1;
    MKJIEFSOBYUXJB-HOCLYGCPSA-N    		 CC(C)C[C@H]1CN2CCc3cc(c(cc3[C@@H]2CC1=O)
    OC)OC; COc1cc2CCN3C[C@H](CC(C)C)C(=O)C[C
    @H]3c2cc1OC; COc1cc2CCN3C[CH](CC(C)C)C(=
    O)C[CH]3c2cc1OC; CC(C)CC1CN2CCc3cc(c(cc3
    C2CC1=O)OC)OC; CC(C)CC1CN2CCc3cc(OC)c(OC
    )cc3C2CC1=O    		 (3S,5R,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydro-2H-pyrido[2,1-a]isoquinolin-2-one
    18494 EC0
    CHEMBL140425
    ZINC000001432257    		 1 C9 H5 Cl N2 O3 InChI=1S/C9H5ClN2O3/c10-6
    -4-7(12(14)15)5-2-1-3-11-
    8(5)9(6)13/h1-4,13H;
    VNHOFPGOOLRCLG-UHFFFAOYSA-N    		 c1cc2c(cc(c(c2nc1)O)Cl)[N+](=O)[O-]; Oc1
    c(Cl)cc(c2cccnc12)[N+]([O-])=O    		 7-chloranyl-5-nitro-quinolin-8-ol
    18495 EC2
    ZINC000058632227    		 1 C28 H23 N O3 S InChI=1S/C28H23NO3S/c30-2
    3-16-21(15-20-11-6-10-17-
    7-4-5-12-22(17)20)24(18-1
    3-14-18)27-29(23)25(28(31
    )32)26(33-27)19-8-2-1-3-9
    -19/h1-12,16,18,25-26H,13
    -15H2,(H,31,32)/t25-,26+/
    m0/s1;
    QSGWJHVTILGJTA-IZZNHLLZSA-N    		 c1ccc(cc1)C2C(N3C(=O)C=C(C(=C3S2)C4CC4)C
    c5cccc6c5cccc6)C(=O)O; c1ccc(cc1)[C@@H]2
    [C@H](N3C(=O)C=C(C(=C3S2)C4CC4)Cc5cccc6c
    5cccc6)C(=O)O; OC(=O)[CH]1[CH](SC2=C(C3C
    C3)C(=CC(=O)N12)Cc4cccc5ccccc45)c6ccccc6
    ; OC(=O)[C@@H]1[C@H](SC2=C(C3CC3)C(=CC(=
    O)N12)Cc4cccc5ccccc45)c6ccccc6; O=C3C=C(
    C(=C2SC(c1ccccc1)C(N23)C(=O)O)C4CC4)Cc6c
    5ccccc5ccc6    		 (2R,3R)-8-CYCLOPROPYL-7-(NAPHTHALEN-1-YLMETHYL)-5-OXO-2-PHENYL-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIDINE-3-CARBOXYLIC ACID
    18496 EC3
    CHEMBL5184341
    ZINC000000134548    		 1 C14 H13 Cl N2 O2 InChI=1S/C14H13ClN2O2/c15
    -11-7-9(8-17-6-2-4-12(17)
    18)14(19)13-10(11)3-1-5-1
    6-13/h1,3,5,7,19H,2,4,6,8
    H2;
    YWICHOLVOTVAMW-UHFFFAOYSA-N    		 Oc1c(CN2CCCC2=O)cc(Cl)c3cccnc13; c1cc2c(
    cc(c(c2nc1)O)CN3CCCC3=O)Cl    		 1-[(5-chloranyl-8-oxidanyl-quinolin-7-yl)methyl]pyrrolidin-2-one
    18497 EC4
    CHEMBL4160484    		 1 C25 H27 Cl2 N5 O InChI=1S/C25H27Cl2N5O/c26
    -17-2-4-23-21(10-17)16(13
    -29-23)14-32-7-5-19(6-8-3
    2)31-25(33)22(28)9-15-12-
    30-24-11-18(27)1-3-20(15)
    24/h1-4,10-13,19,22,29-30
    H,5-9,14,28H2,(H,31,33)/t
    22-/m0/s1;
    AQHKBYHDRXLQLW-QFIPXVFZSA-N    		 c1cc2c(cc1Cl)[nH]cc2C[C@@H](C(=O)NC3CCN(
    CC3)Cc4c[nH]c5c4cc(cc5)Cl)N; N[C@@H](Cc1
    c[nH]c2cc(Cl)ccc12)C(=O)NC3CCN(CC3)Cc4c[
    nH]c5ccc(Cl)cc45; N[CH](Cc1c[nH]c2cc(Cl)
    ccc12)C(=O)NC3CCN(CC3)Cc4c[nH]c5ccc(Cl)c
    c45; c1cc2c(cc1Cl)[nH]cc2CC(C(=O)NC3CCN(
    CC3)Cc4c[nH]c5c4cc(cc5)Cl)N; n4cc(CC(C(N
    C3CCN(Cc2c1c(ccc(Cl)c1)nc2)CC3)=O)N)c5c4
    cc(Cl)cc5    		 6-chloro-N-{1-[(5-chloro-1H-indol-3-yl)methyl]piperidin-4-yl}-L-tryptophanamide
    18498 EC5
    ZINC000058660876    		 1 C28 H25 N O4 S InChI=1S/C28H25NO4S/c30-2
    5-17-22(16-21-11-6-10-19-
    9-4-5-12-23(19)21)26(20-1
    3-14-20)27(34-33)29(25)24
    (28(31)32)15-18-7-2-1-3-8
    -18/h1-12,17,20,24,33H,13
    -16H2,(H,31,32)/t24-/m0/s
    1;
    RDAFPBNHIKAVPQ-DEOSSOPVSA-N    		 c1ccc(cc1)C[C@@H](C(=O)O)N2C(=O)C=C(C(=C
    2SO)C3CC3)Cc4cccc5c4cccc5; OSC1=C(C2CC2)
    C(=CC(=O)N1[C@H](Cc3ccccc3)C(O)=O)Cc4ccc
    c5ccccc45; OSC1=C(C2CC2)C(=CC(=O)N1[CH](
    Cc3ccccc3)C(O)=O)Cc4cccc5ccccc45; c1ccc(
    cc1)CC(C(=O)O)N2C(=O)C=C(C(=C2SO)C3CC3)C
    c4cccc5c4cccc5; O=C(O)C(N1C(SO)=C(C(=CC1
    =O)Cc3c2ccccc2ccc3)C4CC4)Cc5ccccc5    		 (2R)-2-[5-CYCLOPROPYL-6-(HYDROXYSULFANYL)-4-(NAPHTHALEN-1-YLMETHYL)-2-OXOPYRIDIN-1(2H)-YL]-3-PHENYLPROPANOIC ACID
    18499 EC6
    ZINC000098208821    		 2 C28 H54 N4 O5 InChI=1S/C28H54N4O5/c1-10
    -12-13-14-23(33)31-25(19(
    5)6)28(37)29-21(15-16-24(
    34)32(8)9)27(36)30-22(17-
    18(3)4)26(35)20(7)11-2/h1
    8-22,25-26,35H,10-17H2,1-
    9H3,(H,29,37)(H,30,36)(H,
    31,33)/t20-,21+,22+,25+,2
    6+/m1/s1;
    BFKSFYOCNVYLSG-DGTHGUPJSA-N    		 CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC
    (=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)[
    C@H](C)CC; O=C(NC(C(O)C(CC)C)CC(C)C)C(NC
    (=O)C(NC(=O)CCCCC)C(C)C)CCC(=O)N(C)C; CC
    CCCC(=O)N[CH](C(C)C)C(=O)N[CH](CCC(=O)N(
    C)C)C(=O)N[CH](CC(C)C)[CH](O)[CH](C)CC;
    CCCCCC(=O)NC(C(C)C)C(=O)NC(CCC(=O)N(C)C)
    C(=O)NC(CC(C)C)C(C(C)CC)O; CCCCCC(=O)N[C
    @@H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=
    O)N[C@@H](CC(C)C)[C@H]([C@H](C)CC)O    		 N-hexanoyl-L-valyl-N~1~-[(4S,5S,6R)-5-hydroxy-2,6-dimethyloctan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide;
    Double bound form of enone carmaphycin analogue 6;
    (S)-N1-((S,Z)-2,6-dimethyl-5-oxooct-6-en-4-yl)-2-((S)-2-hexanamido-3-methylbutanamido)-N5,N5-dimethylpentanediamide
    18500 EC7 1 C18 H35 N3 O InChI=1S/C18H35N3O/c1-14(
    19-4)17(22)21(12-15-6-7-1
    5)13-18(2,3)16-8-10-20(5)
    11-9-16/h14-16,19H,6-13H2
    ,1-5H3;
    CNZYFGVSPPVSBV-UHFFFAOYSA-N    		 C(N(C(=O)C(NC)C)CC(C1CCN(C)CC1)(C)C)C2CC
    2; CNC(C)C(=O)N(CC1CC1)CC(C)(C)C2CCN(C)C
    C2; CC(C(=O)N(CC1CC1)CC(C)(C)C2CCN(CC2)C
    )NC    		 (S)-N-(cyclopropylmethyl)-N~2~-methyl-N-[2-methyl-2-(1-methylpiperidin-4-yl)propyl]alaninamide
    18501 EC8
    CHEMBL5193862    		 1 C16 H9 F4 N3 O4 InChI=1S/C16H9F4N3O4/c17-
    9-6-11-10(5-8(9)16(18,19)
    20)21-14(26)15(27)23(11)2
    2-13(25)7-3-1-2-4-12(7)24
    /h1-6,24H,(H,21,26)(H,22,
    25);
    MCKOVZZCGOMMIB-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)NN2c3cc(c(cc3NC(=O)C2=O)
    C(F)(F)F)F)O; Oc1ccccc1C(=O)NN2C(=O)C(=O
    )Nc3cc(c(F)cc23)C(F)(F)F    		 N-(7-fluoro-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl)-2-hydroxybenzamide
    18502 EC9 1 C16 H14 N4 O2 InChI=1S/C16H14N4O2/c1-10
    (21)18-15-9-12(19-14-7-2-
    3-8-17-14)11-5-4-6-13(22)
    16(11)20-15/h2-9,22H,1H3,
    (H2,17,18,19,20,21);
    PWXUANZRXPWYEG-UHFFFAOYSA-N    		 CC(=O)Nc1cc(Nc2ccccn2)c3cccc(O)c3n1; CC(
    =O)Nc1cc(c2cccc(c2n1)O)Nc3ccccn3    		 N-[8-oxidanyl-4-(pyridin-2-ylamino)quinolin-2-yl]ethanamide
    18503 ECA
    CHEMBL1232471
    ZINC000005707076    		 5 C30 H27 N3 O9 InChI=1S/C30H27N3O9/c34-2
    2-7-1-4-19(25(22)37)28(40
    )31-13-16-10-17(14-32-29(
    41)20-5-2-8-23(35)26(20)3
    8)12-18(11-16)15-33-30(42
    )21-6-3-9-24(36)27(21)39/
    h1-12,34-39H,13-15H2,(H,3
    1,40)(H,32,41)(H,33,42);
    GCTFIRZGPIUOAK-UHFFFAOYSA-N    		 O=C(c1cccc(O)c1O)NCc2cc(cc(c2)CNC(=O)c3c
    ccc(O)c3O)CNC(=O)c4cccc(O)c4O; c1cc(c(c(
    c1)O)O)C(=O)NCc2cc(cc(c2)CNC(=O)c3cccc(c
    3O)O)CNC(=O)c4cccc(c4O)O; Oc1cccc(C(=O)N
    Cc2cc(CNC(=O)c3cccc(O)c3O)cc(CNC(=O)c4cc
    cc(O)c4O)c2)c1O    		 N,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-DIHYDROXYBENZAMIDE)
    18504 ECB
    CHEMBL122972
    ZINC000004654969    		 2 C23 H38 O4 InChI=1S/C23H38O4/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18-19-23(26)27
    -22(20-24)21-25/h6-7,9-10
    ,12-13,15-16,22,24-25H,2-
    5,8,11,14,17-21H2,1H3/b7-
    6-,10-9-,13-12-,16-15-;
    RCRCTBLIHCHWDZ-DOFZRALJSA-N    		 CCCCCC=CCC=CCC=CCC=CCCCC(=O)OC(CO)CO; CC
    CCC\C=C/C/C=C\C\C=C/C\C=C/CCCC(=O)OC(CO)
    CO; CCCCC\C=C/C\C=C/C[C@H]=[C@H]C[C@H]=[
    C@H]CCCC(=O)OC(CO)CO; CCCCC/C=C\C/C=C\C/
    C=C\C/C=C\CCCC(=O)OC(CO)CO    		 1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate;
    2-arachidonoylglycerol
    18505 ECC 0 C5 H12 N2 O2 InChI=1S/C5H12N2O2/c6-4(3
    -8)1-2-5(7)9/h4,8H,1-3,6H
    2,(H2,7,9)/t4-/m0/s1;
    FQLOSLKSJZSARD-BYPYZUCNSA-N    		 C(CC(=O)N)[C@@H](CO)N; N[CH](CO)CCC(N)=O
    ; C(CC(=O)N)C(CO)N; N[C@H](CO)CCC(N)=O;
    O=C(N)CCC(N)CO    		 (4S)-4-amino-5-hydroxypentanamide
    18506 ECD 2 C6 H12 N3 O2 InChI=1S/C6H11N3O2/c7-6-8
    -3-4(9-6)1-2-5(10)11/h4H,
    1-3H2,(H,10,11)(H3,7,8,9)
    /p+1/t4-/m1/s1;
    XWJJYUBXTJRSEQ-SCSAIBSYSA-O    		 C1[C@H](NC(=[NH2+])N1)CCC(=O)O; OC(=O)CC
    [CH]1CNC(=[NH2+])N1; O=C(O)CCC1NC(/NC1)=
    [NH2+]; OC(=O)CC[C@@H]1CNC(=[NH2+])N1; C
    1C(NC(=[NH2+])N1)CCC(=O)O    		 (4R)-4-(2-carboxyethyl)imidazolidin-2-iminium
    18507 ECE
    CHEMBL373123
    ZINC000000388417    		 2 C6 H10 O2 InChI=1S/C6H10O2/c7-6-4-2
    -1-3-5-8-6/h1-5H2;
    PAPBSGBWRJIAAV-UHFFFAOYSA-N    		 O=C1CCCCCO1; C1CCC(=O)OCC1; O=C1OCCCCC1 Caprolactone;
    Oxepan-2-one;
    Epsilon-Caprolactone
    18508 ECF 1 C12 H9 F N4 O InChI=1S/C12H9FN4O/c13-7-
    3-8-9(17-2-1-15-6-17)5-11
    (14)16-12(8)10(18)4-7/h1-
    6,18H,(H2,14,16);
    QOIJKDPLEGOZIH-UHFFFAOYSA-N    		 Nc1cc(n2ccnc2)c3cc(F)cc(O)c3n1; c1cn(cn1
    )c2cc(nc3c2cc(cc3O)F)N    		 2-azanyl-6-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
    18509 ECG
    CHEMBL1232472
    DB04688
    ZINC000004654765    		 3 C10 H17 N O3 InChI=1S/C10H17NO3/c1-11-
    6-3-4-7(11)9(8(12)5-6)10(
    13)14-2/h6-9,12H,3-5H2,1-
    2H3/t6-,7+,8-,9+/m0/s1;
    QIQNNBXHAYSQRY-UYXSQOIJSA-N    		 O=C(OC)C2C1N(C)C(CC1)CC2O; C[N@]1[C@H]2C
    C[C@@H]1[C@H]([C@H](C2)O)C(=O)OC; COC(=O
    )[C@H]1[C@@H](O)C[C@@H]2CC[C@H]1N2C; COC
    (=O)[CH]1[CH](O)C[CH]2CC[CH]1N2C; CN1C2C
    CC1C(C(C2)O)C(=O)OC    		 3-HYDROXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID METHYL ESTER;
    ECGONINE METHYL ESTER
    18510 ECH
    ZINC000004097703    		 68 C40 H54 O InChI=1S/C40H54O/c1-30(18
    -13-20-32(3)23-25-36-34(5
    )22-15-28-39(36,7)8)16-11
    -12-17-31(2)19-14-21-33(4
    )24-26-37-35(6)38(41)27-2
    9-40(37,9)10/h11-14,16-21
    ,23-26H,15,22,27-29H2,1-1
    0H3/b12-11+,18-13+,19-14+
    ,25-23+,26-24+,30-16+,31-
    17+,32-20+,33-21+;
    QXNWZXMBUKUYMD-QQGJMDNJSA-N    		 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C
    /C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(
    C)C)C)/C)/C; CC(=CC=CC=C(C)C=CC=C(C)C=CC
    1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)C
    CCC2(C)C; CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=
    C\C1=C(C)C(=O)CCC1(C)C)/C=C/C=C(C)/C=C/C
    2=C(C)CCCC2(C)C; CC1=C(C(CCC1)(C)C)C=CC(
    =CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)
    CCC2(C)C)C)C)C; O=C2C(=C(\C=C\C(=C\C=C\C
    (=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C
    )C)C)C)C)C)C(C)(C)CC2)C    		 beta,beta-caroten-4-one;
    echinenone
    18511 ECI 1 C20 H26 N10 O12 P2 S2 InChI=1S/C20H26N10O12P2S2
    /c21-14-8-15(24-3-23-14)2
    9(4-25-8)18-11(33)13(41-4
    3(35,36)45)7(40-18)2-38-4
    4(37,46)42-12-6(1-31)39-1
    9(10(12)32)30-5-26-9-16(3
    0)27-20(22)28-17(9)34/h3-
    7,10-13,18-19,31-33H,1-2H
    2,(H,37,46)(H2,21,23,24)(
    H2,35,36,45)(H3,22,27,28,
    34)/t6-,7-,10-,11-,12-,13
    -,18-,19-,44+/m1/s1;
    MLCQGAYMLYXJTJ-WEKBUWATSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(OC4
    C(OC(C4O)n5cnc6c5N=C(NC6=O)N)CO)S)OP(=O)
    (O)S)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]
    ([C@@H]([C@H](O3)CO[P@@](=O)(O[C@@H]4[C@
    H](O[C@H]([C@@H]4O)n5cnc6c5N=C(NC6=O)N)C
    O)S)OP(=O)(O)S)O)N; NC1=Nc2n(cnc2C(=O)N1
    )[CH]3O[CH](CO)[CH](O[P](S)(=O)OC[CH]4O[
    CH]([CH](O)[CH]4O[P](O)(S)=O)n5cnc6c(N)n
    cnc56)[CH]3O; NC1=Nc2n(cnc2C(=O)N1)[C@@H
    ]3O[C@H](CO)[C@@H](O[P@](S)(=O)OC[C@H]4O
    [C@H]([C@H](O)[C@@H]4O[P](O)(S)=O)n5cnc6
    c(N)ncnc56)[C@H]3O; NC1=Nc2c(ncn2C2OC(CO
    )C(OP(=O)(S)OCC3OC(n4cnc5c(N)ncnc54)C(O)
    C3OP(=O)(O)S)C2O)C(=O)N1    		 [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphoryl]oxymethyl]-4-oxidanyl-oxolan-3-yl]oxy-sulfanyl-phosphinic acid
    18512 ECJ 3 C10 H13 N5 O16 P4 InChI=1S/C10H13N5O16P4/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-6(16)7(29-35(25,26)
    31-33(20,21)22)4(28-10)1-
    27-34(23,24)30-32(17,18)1
    9/h2-3,10H,1H2,(H,23,24)(
    H,25,26)(H2,11,12,13)(H2,
    17,18,19)(H2,20,21,22)/t1
    0-/m1/s1;
    CDOGMROMDFBAJR-SNVBAGLBSA-N    		 c1nc(c2c(n1)n(cn2)C3C(=O)C(=C(O3)COP(=O)
    (O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)N; Nc1
    ncnc2n(cnc12)[CH]3OC(=C(O[P](O)(=O)O[P](
    O)(O)=O)C3=O)CO[P](O)(=O)O[P](O)(O)=O; c
    1nc(c2c(n1)n(cn2)[C@H]3C(=O)C(=C(O3)COP(
    =O)(O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)N;
    C(C1=C(OP(O)(=O)OP(O)(O)=O)C(C(O1)n3cnc2
    c3ncnc2N)=O)OP(OP(O)(=O)O)(=O)O; Nc1ncnc
    2n(cnc12)[C@@H]3OC(=C(O[P](O)(=O)O[P](O)
    (O)=O)C3=O)CO[P](O)(=O)O[P](O)(O)=O    		 (5R)-5-(6-amino-9H-purin-9-yl)-2-({[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}methyl)-4-oxo-4,5-dihydrofuran-3-yl trihydrogen diphosphate
    18513 ECK 2 C32 H56 O2 InChI=1S/C32H56O2/c1-22(2
    )9-7-10-23(11-8-18-30(3,4
    )34)27-14-15-28-26-13-12-
    24-21-25(33)16-19-31(24,5
    )29(26)17-20-32(27,28)6/h
    12,22-23,25-29,33-34H,7-1
    1,13-21H2,1-6H3/t23-,25+,
    26+,27-,28+,29+,31+,32-/m
    1/s1;
    MDQUOZBEMDXUCO-PTHRTHQKSA-N    		 CC(C)CCC[CH](CCCC(C)(C)O)[CH]1CC[CH]2[CH
    ]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C; C
    C(C)CCCC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC=C
    4C3(CCC(C4)O)C)C; CC(C)CCC[C@H](CCCC(C)(
    C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2
    CC=C4[C@@]3(CC[C@@H](C4)O)C)C; CC(C)CCC[
    C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3CC
    =C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C    		 (3~{S},8~{S},9~{S},10~{R},13~{R},14~{S},17~{R})-17-[(6~{R})-2,10-dimethyl-2-oxidanyl-undecan-6-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-ol
    18514 ECL
    CHEMBL1232474
    ZINC000000643055    		 16 C18 H15 Cl3 N2 O InChI=1S/C18H15Cl3N2O/c19
    -14-3-1-13(2-4-14)11-24-1
    8(10-23-8-7-22-12-23)16-6
    -5-15(20)9-17(16)21/h1-9,
    12,18H,10-11H2/t18-/m0/s1;
    LEZWWPYKPKIXLL-SFHVURJKSA-N    		 Clc1ccc(CO[C@@H](Cn2ccnc2)c3ccc(Cl)cc3Cl
    )cc1; Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)C
    n3ccnc3; c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3
    Cl)Cl)Cl; c1cc(ccc1CO[C@@H](Cn2ccnc2)c3c
    cc(cc3Cl)Cl)Cl; Clc1ccc(CO[CH](Cn2ccnc2)
    c3ccc(Cl)cc3Cl)cc1    		 1-[(2R)-2-[(4-chlorobenzyl)oxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazole;
    R-Econazole
    18515 ECM
    CHEMBL4083870    		 4 C39 H39 Cl2 N5 O4 InChI=1S/C39H39Cl2N5O4/c1
    -21-18-25(19-22(2)34(21)4
    1)50-17-8-11-26-28-13-14-
    30(40)33(32-23(3)42-44(6)
    24(32)4)36(28)46-16-9-15-
    45(38(47)37(26)46)31-12-7
    -10-27-29(39(48)49)20-43(
    5)35(27)31/h7,10,12-14,18
    -20H,8-9,11,15-17H2,1-6H3
    ,(H,48,49);
    SIUYYHMJPRXSEZ-UHFFFAOYSA-N    		 Cn1cc(C(O)=O)c2cccc(N3CCCn4c(C3=O)c(CCCO
    c5cc(C)c(Cl)c(C)c5)c6ccc(Cl)c(c46)c7c(C)
    nn(C)c7C)c12; Cc1cc(cc(c1Cl)C)OCCCc2c3cc
    c(c(c3n4c2C(=O)N(CCC4)c5cccc6c5n(cc6C(=O
    )O)C)c7c(nn(c7C)C)C)Cl; C(CCc1c5c(n4c1C(
    N(c2cccc3c2n(C)cc3C(O)=O)CCC4)=O)c(c(cc5
    )Cl)c6c(n(C)nc6C)C)Oc7cc(c(c(C)c7)Cl)C    		 7-{8-chloro-11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}-1-methyl-1H-indole-3-carboxylic acid
    18516 ECN
    DB07705
    ZINC000000596881    		 26 C18 H15 Cl3 N2 O InChI=1S/C18H15Cl3N2O/c19
    -14-3-1-13(2-4-14)11-24-1
    8(10-23-8-7-22-12-23)16-6
    -5-15(20)9-17(16)21/h1-9,
    12,18H,10-11H2/t18-/m1/s1;
    LEZWWPYKPKIXLL-GOSISDBHSA-N    		 Clc1ccc(CO[C@H](Cn2ccnc2)c3ccc(Cl)cc3Cl)
    cc1; Clc1ccc(c(Cl)c1)C(OCc2ccc(Cl)cc2)Cn
    3ccnc3; c1cc(ccc1COC(Cn2ccnc2)c3ccc(cc3C
    l)Cl)Cl; Clc1ccc(CO[CH](Cn2ccnc2)c3ccc(C
    l)cc3Cl)cc1    		 1-[(2S)-2-[(4-CHLOROBENZYL)OXY]-2-(2,4-DICHLOROPHENYL)ETHYL]-1H-IMIDAZOLE;
    S-Econazole
    18517 ECO 8 C20 H25 N O5 InChI=1S/C20H25NO5/c1-20-
    7-6-13-12-3-2-11(22)8-15(
    12)17(21-26-10-19(24)25)9
    -14(13)16(20)4-5-18(20)23
    /h2-3,8,13-14,16,18,22-23
    H,4-7,9-10H2,1H3,(H,24,25
    )/b21-17+/t13-,14-,16+,18
    +,20+/m1/s1;
    AWARIMYXKAIIGO-FIIMHDCBSA-N    		 C[C@]12CC[C@@H]3c4ccc(cc4C(=NOCC(=O)O)C[
    C@H]3[C@@H]1CC[C@@H]2O)O; O=C(O)CO\N=C4\
    c1cc(O)ccc1C3CCC2(C(CCC2O)C3C4)C; CC12CC
    C3c4ccc(cc4C(=NOCC(=O)O)CC3C1CCC2O)O; C[
    C@]12CC[C@H]3[C@@H](CC(=N\OCC(O)=O)/c4cc
    (O)ccc34)[C@@H]1CC[C@@H]2O; C[C]12CC[CH]
    3[CH](CC(=NOCC(O)=O)c4cc(O)ccc34)[CH]1CC
    [CH]2O    		 ESTRADIOL-6 CARBOXYL-METHYL-OXIME
    18518 ECP 2 C20 H36 O7 P2 InChI=1S/C20H36O7P2/c1-15
    (11-14-26-29(24,25)27-28(
    21,22)23)7-9-17-16(2)8-10
    -18-19(3,4)12-6-13-20(17,
    18)5/h11,17-18H,2,6-10,12
    -14H2,1,3-5H3,(H,24,25)(H
    2,21,22,23)/b15-11+/t17-,
    18-,20+/m1/s1;
    JCAIWDXKLCEQEO-PGHZQYBFSA-N    		 C\C(CC[C@@H]1C(=C)CC[C@@H]2C(C)(C)CCC[C@
    @]12C)=C/CO[P](O)(=O)O[P](O)(O)=O; CC(=C
    COP(=O)(O)OP(=O)(O)O)CCC1C(=C)CCC2C1(CCC
    C2(C)C)C; CC(CC[CH]1C(=C)CC[CH]2C(C)(C)C
    CC[C]12C)=CCO[P](O)(=O)O[P](O)(O)=O; O=P
    (O)(O)OP(=O)(O)OC/C=C(\C)CCC1C(=C)\CCC2C
    (CCCC12C)(C)C; C/C(=C\COP(=O)(O)OP(=O)(O
    )O)/CC[C@@H]1C(=C)CC[C@H]2[C@]1(CCCC2(C)
    C)C    		 (2E)-3-methyl-5-[(1R,4aR,8aR)-5,5,8a-trimethyl-2-methylidenedecahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate
    18519 ECQ
    ZINC000060272992    		 0 C8 H16 N2 O2 InChI=1S/C8H16N2O2/c1-5(1
    1)7(9)4-6-2-3-10-8(6)12/h
    5-7,11H,2-4,9H2,1H3,(H,10
    ,12)/t5-,6+,7+/m1/s1;
    CXMPAAAEMQSIAK-VQVTYTSYSA-N    		 O=C1NCCC1CC(N)C(O)C; C[C@H]([C@H](C[C@@H
    ]1CCNC1=O)N)O; C[CH](O)[CH](N)C[CH]1CCNC
    1=O; CC(C(CC1CCNC1=O)N)O; C[C@@H](O)[C@@
    H](N)C[C@@H]1CCNC1=O    		 (3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-2-ONE
    18520 ECR 1 C12 H9 F N4 O InChI=1S/C12H9FN4O/c13-7-
    1-2-9(18)12-11(7)8(5-10(1
    4)16-12)17-4-3-15-6-17/h1
    -6,18H,(H2,14,16);
    GTPKCMGAPYYKBH-UHFFFAOYSA-N    		 Nc1cc(n2ccnc2)c3c(F)ccc(O)c3n1; c1cc(c2c
    (cc(nc2c1O)N)n3ccnc3)F    		 2-azanyl-5-fluoranyl-4-imidazol-1-yl-quinolin-8-ol
    18521 ECS
    CHEMBL467987
    DB07706
    ZINC000003815419    		 2 C18 H24 O3 InChI=1S/C18H24O3/c1-18-7
    -6-11-12(14(18)4-5-17(18)
    21)3-2-10-8-15(19)16(20)9
    -13(10)11/h8-9,11-12,14,1
    7,19-21H,2-7H2,1H3/t11-,1
    2+,14-,17-,18-/m0/s1;
    DILDHNKDVHLEQB-XSSYPUMDSA-N    		 C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]
    1CC[C@@H]2O)O)O; C[C@]12CC[C@H]3[C@@H](C
    Cc4cc(O)c(O)cc34)[C@@H]1CC[C@@H]2O; Oc1c
    c4c(cc1O)C3CCC2(C(CCC2O)C3CC4)C; CC12CCC
    3c4cc(c(cc4CCC3C1CCC2O)O)O; C[C]12CC[CH]
    3[CH](CCc4cc(O)c(O)cc34)[CH]1CC[CH]2O    		 2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE
    18522 ECT
    CHEMBL450449
    DB05109
    ZINC000150338708    		 0 C39 H43 N3 O11 S InChI=1S/C39H43N3O11S/c1-
    16-9-20-10-22-37(46)42-23
    -13-50-38(47)39(21-12-25(
    48-5)24(44)11-19(21)7-8-4
    0-39)14-54-36(30(42)29(41
    (22)4)26(20)31(45)32(16)4
    9-6)28-27(23)35-34(51-15-
    52-35)17(2)33(28)53-18(3)
    43/h9,11-12,22-23,29-30,3
    6-37,40,44-46H,7-8,10,13-
    15H2,1-6H3/t22-,23-,29+,3
    0+,36+,37-,39+/m0/s1;
    PKVRCIRHQMSYJX-AIFWHQITSA-N    		 O=C(Oc1c9c(c2OCOc2c1C)C8N5C(O)C4N(C)C(c3
    c(cc(c(OC)c3O)C)C4)C5C9SCC7(c6cc(OC)c(O)
    cc6CCN7)C(=O)OC8)C; Cc1cc2c(c(c1OC)O)C3C
    4C5c6c(c7c(c(c6OC(=O)C)C)OCO7)C(N4C(C(C2
    )N3C)O)COC(=O)C8(CS5)c9cc(c(cc9CCN8)O)OC
    ; Cc1cc2c(c(c1OC)O)[C@@H]3[C@@H]4[C@H]5c
    6c(c7c(c(c6OC(=O)C)C)OCO7)[C@@H]([N@]4[C
    @H]([C@H](C2)[N@@]3C)O)COC(=O)[C@@]8(CS5
    )c9cc(c(cc9CCN8)O)OC; COc1cc2c(CCN[C]23C
    S[CH]4[CH]5[CH]6N(C)[CH](Cc7cc(C)c(OC)c(
    O)c67)[CH](O)N5[CH](COC3=O)c8c9OCOc9c(C)
    c(OC(C)=O)c48)cc1O; COc1cc2c(CCN[C@]23CS
    [C@H]4[C@H]5[C@@H]6N(C)[C@@H](Cc7cc(C)c(
    OC)c(O)c67)[C@H](O)N5[C@@H](COC3=O)c8c9O
    COc9c(C)c(OC(C)=O)c48)cc1O    		 ECTEINASCIDIN 743
    18523 ECU 1 C12 H9 Br N4 O InChI=1S/C12H9BrN4O/c13-8
    -2-1-7-9(17-4-3-15-6-17)5
    -10(14)16-11(7)12(8)18/h1
    -6,18H,(H2,14,16);
    WABMJAQUYDUNTQ-UHFFFAOYSA-N    		 c1cc(c(c2c1c(cc(n2)N)n3ccnc3)O)Br; Nc1cc
    (n2ccnc2)c3ccc(Br)c(O)c3n1    		 2-azanyl-7-bromanyl-4-imidazol-1-yl-quinolin-8-ol
    18524 ECV
    CHEMBL3916929
    DB15418    		 1 C20 H18 F N3 O5 InChI=1S/C20H18FN3O5/c1-2
    2-18(25)8-13-9-28-17-7-12
    (21)3-4-15(17)24(13)20(27
    )11-2-5-16-14(6-11)23-19(
    26)10-29-16/h2-7,13H,8-10
    H2,1H3,(H,22,25)(H,23,26)
    /t13-/m0/s1;
    MBKYLPOPYYLTNW-ZDUSSCGKSA-N    		 CNC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c3ccc4
    OCC(=O)Nc4c3; CNC(=O)C[C@H]1COc2cc(ccc2N
    1C(=O)c3ccc4c(c3)NC(=O)CO4)F; CNC(=O)CC1
    COc2cc(ccc2N1C(=O)c3ccc4c(c3)NC(=O)CO4)F
    ; CNC(=O)C[CH]1COc2cc(F)ccc2N1C(=O)c3ccc
    4OCC(=O)Nc4c3    		 2-[(3~{S})-7-fluoranyl-4-[(3-oxidanylidene-4~{H}-1,4-benzoxazin-6-yl)carbonyl]-2,3-dihydro-1,4-benzoxazin-3-yl]-~{N}-methyl-ethanamide
    18525 ECW 1 C18 H19 Br N2 O6 InChI=1S/C18H19BrN2O6/c1-
    18(2,3)20(10-12-7-5-4-6-8
    -12)15(22)11-26-17(23)14-
    9-13(19)16(27-14)21(24)25
    /h4-9H,10-11H2,1-3H3;
    ZLXQPKWHPMMLFG-UHFFFAOYSA-N    		 CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c2cc(c(o
    2)[N+](=O)[O-])Br; CC(C)(C)N(Cc1ccccc1)C
    (=O)COC(=O)c2oc(c(Br)c2)[N+]([O-])=O    		 [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-5-nitro-furan-2-carboxylate
    18526 ECX
    CHEMBL60475
    ZINC000002015711    		 1 C5 H11 N O2 S InChI=1S/C5H11NO2S/c1-2-9
    -3-4(6)5(7)8/h4H,2-3,6H2,
    1H3,(H,7,8)/t4-/m0/s1;
    ULXKXLZEOGLCRJ-BYPYZUCNSA-N    		 CCSCC(C(=O)O)N; CCSC[C@@H](C(=O)O)N; CCS
    C[C@H](N)C(O)=O; CCSC[CH](N)C(O)=O; O=C(
    O)C(N)CSCC    		 S-ethyl-L-cysteine
    18527 ECY
    CHEMBL4094135    		 4 C37 H39 Cl N4 O4 InChI=1S/C37H39ClN4O4/c1-
    22-18-28(19-23(2)33(22)38
    )46-17-8-14-30-29-12-7-13
    -31(32-24(3)39-40(5)25(32
    )4)34(29)42-16-9-15-41(36
    (43)35(30)42)21-26-10-6-1
    1-27(20-26)37(44)45/h6-7,
    10-13,18-20H,8-9,14-17,21
    H2,1-5H3,(H,44,45);
    VMBSCFPYXBSHSU-UHFFFAOYSA-N    		 Cc1cc(cc(c1Cl)C)OCCCc2c3cccc(c3n4c2C(=O)
    N(CCC4)Cc5cccc(c5)C(=O)O)c6c(nn(c6C)C)C;
    Cn1nc(C)c(c1C)c2cccc3c(CCCOc4cc(C)c(Cl)
    c(C)c4)c5n(CCCN(Cc6cccc(c6)C(O)=O)C5=O)c
    23; Cc1cc(cc(C)c1Cl)OCCCc3c2C(N(CCCn2c4c
    (cccc34)c5c(C)nn(C)c5C)Cc6cccc(c6)C(O)=O
    )=O    		 3-({11-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-1-oxo-7-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-[1,4]diazepino[1,2-a]indol-2(3H)-yl}methyl)benzoic acid
    18528 ECZ
    CHEMBL123798
    ZINC000013782469    		 2 C16 H11 F3 N2 O2 InChI=1S/C16H11F3N2O2/c1-
    23-12-4-2-3-11-13(12)20-1
    4(21-15(11)22)9-5-7-10(8-
    6-9)16(17,18)19/h2-8H,1H3
    ,(H,20,21,22);
    PFWLEODBNCMHGH-UHFFFAOYSA-N    		 COc1cccc2C(=O)NC(=Nc12)c3ccc(cc3)C(F)(F)
    F; COc1cccc2c1N=C(NC2=O)c3ccc(cc3)C(F)(F
    )F    		 8-METHOXY-2-[4-(TRIFLUOROMETHYL)PHENYL]-3,4-DIHYDROQUINAZOLIN-4-ONE
    18529 ED0 2 C16 H12 F3 N3 InChI=1S/C16H12F3N3/c17-1
    6(18,19)13-5-1-2-6-15(13)
    21-14-7-3-4-11-8-22(10-20
    )9-12(11)14/h1-7,21H,8-9H
    2;
    CLAZWTDTANKWLV-UHFFFAOYSA-N    		 c1ccc(c(c1)C(F)(F)F)Nc2cccc3c2CN(C3)C#N;
    FC(F)(F)c1ccccc1Nc1cccc2CN(Cc21)C#N; FC
    (F)(F)c1ccccc1Nc2cccc3CN(Cc23)C#N    		 4-[2-(trifluoromethyl)anilino]-1,3-dihydro-2H-isoindole-2-carbonitrile
    18530 ED1
    ZINC000058632712    		 2 C40 H48 N6 O6 S InChI=1S/C40H48N6O6S/c1-4
    0(2,3)52-39(49)44-20-18-3
    2(19-21-44)27-46(23-22-45
    (28-35-26-42-29-43(35)4)3
    4-15-12-31(25-41)13-16-34
    )53(50,51)37-11-6-5-10-36
    (37)33-9-7-8-30(24-33)14-
    17-38(47)48/h5-13,15-16,2
    4,26,29,32H,14,17-23,27-2
    8H2,1-4H3,(H,47,48);
    IQLSFMXNAXIRFW-UHFFFAOYSA-N    		 Cn1cncc1CN(CCN(CC2CCN(CC2)C(=O)OC(C)(C)C
    )[S](=O)(=O)c3ccccc3c4cccc(CCC(O)=O)c4)c
    5ccc(cc5)C#N; CC(C)(C)OC(=O)N1CCC(CC1)CN
    (CCN(Cc2cncn2C)c3ccc(cc3)C#N)S(=O)(=O)c4
    ccccc4c5cccc(c5)CCC(=O)O; CC(C)(C)OC(=O)
    N1CCC(CC1)C[N@@](CC[N@@](Cc2cncn2C)c3ccc
    (cc3)C#N)S(=O)(=O)c4ccccc4c5cccc(c5)CCC(
    =O)O; O=C(O)CCc1cccc(c1)c2ccccc2S(=O)(=O
    )N(CC3CCN(C(=O)OC(C)(C)C)CC3)CCN(c4ccc(C
    #N)cc4)Cc5cncn5C    		 3-{2'-[{[1-(tert-butoxycarbonyl)piperidin-4-yl]methyl}(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)sulfamoyl]biphenyl-3-yl}propanoic acid
    18531 ED2
    CHEMBL215769
    ZINC000014952243    		 2 C25 H27 N7 O2 S InChI=1S/C25H27N7O2S/c1-2
    9-18-25(28-20-29)35(33,34
    )32(16-22-6-4-3-5-7-22)13
    -12-31(17-24-15-27-19-30(
    24)2)23-10-8-21(14-26)9-1
    1-23/h3-11,15,18-20H,12-1
    3,16-17H2,1-2H3;
    IDHGAQOVWWBGFK-UHFFFAOYSA-N    		 O=S(=O)(c1ncn(c1)C)N(Cc2ccccc2)CCN(c3ccc
    (C#N)cc3)Cc4cncn4C; Cn1cnc(c1)[S](=O)(=O
    )N(CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4
    ; Cn1cc(nc1)S(=O)(=O)N(CCN(Cc2cncn2C)c3c
    cc(cc3)C#N)Cc4ccccc4; Cn1cc(nc1)S(=O)(=O
    )[N@@](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4cc
    ccc4    		 N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-1H-imidazole-4-sulfonamide
    18532 ED3 1 C22 H19 Cl N4 O4 InChI=1S/C22H19ClN4O4/c1-
    11-13(19(28)18-12(2)24-26
    (4)20(18)29)9-10-16-17(11
    )21(30)27(22(31)25(16)3)1
    5-8-6-5-7-14(15)23/h5-10,
    29H,1-4H3;
    TUTSWQSDTDEPDU-UHFFFAOYSA-N    		 Cc1c(ccc2c1C(=O)N(C(=O)N2C)c3ccccc3Cl)C(
    =O)c4c(nn(c4O)C)C; Cn1nc(C)c(c1O)C(=O)c2
    ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4Cl    		 3-(2-chlorophenyl)-6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-quinazoline-2,4-dione
    18533 ED4
    CHEMBL385072
    ZINC000039187970    		 1 C29 H40 N8 O4 S InChI=1S/C29H40N8O4S/c1-2
    9(2,3)41-28(38)35-12-10-2
    4(11-13-35)18-37(42(39,40
    )27-20-33(4)22-32-27)15-1
    4-36(19-26-17-31-21-34(26
    )5)25-8-6-23(16-30)7-9-25
    /h6-9,17,20-22,24H,10-15,
    18-19H2,1-5H3;
    NYTPJJDEMIZHPE-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)N1CCC(CC1)CN(CCN(Cc2cncn2C
    )c3ccc(cc3)C#N)S(=O)(=O)c4cn(cn4)C; CC(C
    )(C)OC(=O)N1CCC(CC1)C[N@@](CCN(Cc2cncn2C
    )c3ccc(cc3)C#N)S(=O)(=O)c4cn(cn4)C; Cn1c
    nc(c1)[S](=O)(=O)N(CCN(Cc2cncn2C)c3ccc(c
    c3)C#N)CC4CCN(CC4)C(=O)OC(C)(C)C; O=S(=O
    )(c1ncn(c1)C)N(CC2CCN(C(=O)OC(C)(C)C)CC2
    )CCN(c3ccc(C#N)cc3)Cc4cncn4C    		 tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(1-methyl-1H-imidazol-4-yl)sulfonyl]amino}methyl)piperidine-1-carboxylate
    18534 ED5
    ZINC000039187973    		 2 C32 H42 N6 O4 S InChI=1S/C32H42N6O4S/c1-2
    5-8-6-7-9-30(25)43(40,41)
    38(22-27-14-16-36(17-15-2
    7)31(39)42-32(2,3)4)19-18
    -37(23-29-21-34-24-35(29)
    5)28-12-10-26(20-33)11-13
    -28/h6-13,21,24,27H,14-19
    ,22-23H2,1-5H3;
    CHEKEDNUVFBGCF-UHFFFAOYSA-N    		 Cn1cncc1CN(CCN(CC2CCN(CC2)C(=O)OC(C)(C)C
    )[S](=O)(=O)c3ccccc3C)c4ccc(cc4)C#N; Cc1
    ccccc1S(=O)(=O)N(CCN(Cc2cncn2C)c3ccc(cc3
    )C#N)CC4CCN(CC4)C(=O)OC(C)(C)C; O=C(OC(C
    )(C)C)N1CCC(CC1)CN(S(=O)(=O)c2ccccc2C)CC
    N(c3ccc(C#N)cc3)Cc4cncn4C; Cc1ccccc1S(=O
    )(=O)[N@](CC[N@@](Cc2cncn2C)c3ccc(cc3)C#
    N)CC4CCN(CC4)C(=O)OC(C)(C)C    		 tert-butyl 4-({(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)[(2-methylphenyl)sulfonyl]amino}methyl)piperidine-1-carboxylate
    18535 ED7
    ZINC000039187972    		 1 C28 H29 N5 O2 S InChI=1S/C28H29N5O2S/c1-2
    3-8-6-7-11-28(23)36(34,35
    )33(20-25-9-4-3-5-10-25)1
    7-16-32(21-27-19-30-22-31
    (27)2)26-14-12-24(18-29)1
    3-15-26/h3-15,19,22H,16-1
    7,20-21H2,1-2H3;
    OERKOZXSGCATSB-UHFFFAOYSA-N    		 Cc1ccccc1S(=O)(=O)N(CCN(Cc2cncn2C)c3ccc(
    cc3)C#N)Cc4ccccc4; Cn1cncc1CN(CCN(Cc2ccc
    cc2)[S](=O)(=O)c3ccccc3C)c4ccc(cc4)C#N;
    N#Cc4ccc(N(CCN(Cc1ccccc1)S(=O)(=O)c2cccc
    c2C)Cc3cncn3C)cc4; Cc1ccccc1S(=O)(=O)[N@
    ](CCN(Cc2cncn2C)c3ccc(cc3)C#N)Cc4ccccc4    		 N-benzyl-N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-2-methylbenzenesulfonamide
    18536 ED8
    CHEMBL1614933
    ZINC000064746655    		 1 C26 H25 F3 N4 O3 S InChI=1S/C26H25F3N4O3S/c1
    -32-10-8-17(9-11-32)36-18
    -6-7-20-21(12-18)33(15-31
    -20)23-13-22(24(37-23)25(
    30)34)35-14-16-4-2-3-5-19
    (16)26(27,28)29/h2-7,12-1
    3,15,17H,8-11,14H2,1H3,(H
    2,30,34);
    FNHUNERGHGEZMB-UHFFFAOYSA-N    		 CN1CCC(CC1)Oc2ccc3c(c2)n(cn3)c4cc(c(s4)C
    (=O)N)OCc5ccccc5C(F)(F)F; FC(F)(F)c1cccc
    c1COc5c(sc(n4cnc3ccc(OC2CCN(C)CC2)cc34)c
    5)C(=O)N; CN1CCC(CC1)Oc2ccc3ncn(c4sc(C(N
    )=O)c(OCc5ccccc5C(F)(F)F)c4)c3c2    		 5-{6-[(1-methylpiperidin-4-yl)oxy]-1H-benzimidazol-1-yl}-3-{[2-(trifluoromethyl)benzyl]oxy}thiophene-2-carboxamide
    18537 ED9
    CHEMBL4297608
    DB05295
    ZINC000003934328    		 1 C30 H50 O5 InChI=1S/C30H50O5/c1-20(9
    -6-15-29(3,4)34)24-13-14-
    25-22(10-7-16-30(24,25)5)
    11-12-23-19-26(32)28(27(3
    3)21(23)2)35-18-8-17-31/h
    11-12,20,24-28,31-34H,2,6
    -10,13-19H2,1,3-5H3/b22-1
    1+,23-12-/t20-,24-,25+,26
    -,27-,28-,30-/m1/s1;
    FZEXGDDBXLBRTD-AYIMTCTASA-N    		 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2C(\CCC[
    C@]12C)=C\C=C3\C[C@@H](O)[C@@H](OCCCO)[C
    @H](O)C3=C; CC(CCCC(C)(C)O)C1CCC2C1(CCCC
    2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C; O(CCCO)C
    3C(O)C(\C(=C/C=C1\CCCC2(C)C(C(C)CCCC(O)(
    C)C)CCC12)CC3O)=C; C[C@H](CCCC(C)(C)O)[C
    @H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@
    H]([C@H]([C@@H](C3=C)O)OCCCO)O)C; C[CH](
    CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=CC=
    C3C[CH](O)[CH](OCCCO)[CH](O)C3=C    		 (1R,2R,3R,5Z,7E,14beta,17alpha)-2-(3-hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
    18538 EDA
    ZINC000025762090    		 0 C12 H14 N5 O6 P InChI=1S/C12H14N5O6P/c18-
    7-3-9(23-8(7)4-22-24(19,2
    0)21)17-6-14-10-11-13-1-2
    -16(11)5-15-12(10)17/h1-2
    ,5-9,18H,3-4H2,(H2,19,20,
    21)/t7-,8+,9+/m0/s1;
    CACCSKNYAUKFAV-DJLDLDEBSA-N    		 c1cn2cnc3c(c2n1)ncn3[C@H]4C[C@@H]([C@H](
    O4)COP(=O)(O)O)O; O[CH]1C[CH](O[CH]1CO[P
    ](O)(O)=O)n2cnc3c4nccn4cnc23; O[C@H]1C[C
    @@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3c4nccn4
    cnc23; O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc1
    2)CC4O; c1cn2cnc3c(c2n1)ncn3C4CC(C(O4)CO
    P(=O)(O)O)O    		 3-[2-DEOXY-RIBOFURANOSYL]-3H-1,3,4,5A,8-PENTAAZA-AS-INDACENE-5'-MONOPHOSPHATE
    18539 EDB
    ZINC000103540236    		 1 C22 H17 Cl2 N5 O2 S InChI=1S/C22H17Cl2N5O2S/c
    23-15-6-2-7-16(21(15)24)2
    6-22(31)27-20-12-17(18-8-
    3-9-32-18)28-29(20)14-5-1
    -4-13(10-14)11-19(25)30/h
    1-10,12,28H,11H2,(H2,25,3
    0)(H,26,31)/b27-20+;
    YEVPKQHEAVIPSH-NHFJDJAPSA-N    		 Clc1cccc(c1Cl)NC(=O)/N=C3/N(NC(c2sccc2)=
    C3)c4cc(ccc4)CC(=O)N; c1cc(cc(c1)N2C(=NC
    (=O)Nc3cccc(c3Cl)Cl)C=C(N2)c4cccs4)CC(=O
    )N; c1cc(cc(c1)N2/C(=N/C(=O)Nc3cccc(c3Cl
    )Cl)/C=C(N2)c4cccs4)CC(=O)N; NC(=O)Cc1cc
    cc(c1)N2NC(=CC2=NC(=O)Nc3cccc(Cl)c3Cl)c4
    sccc4    		 2-{3-[(5E)-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-3-thiophen-2-yl-2,5-dihydro-1H-pyrazol-1-yl]phenyl}acetamide
    18540 EDC
    ZINC000098208822    		 0 C11 H14 N3 O7 P InChI=1S/C11H14N3O7P/c15-
    7-5-10(21-8(7)6-20-22(17,
    18)19)14-3-1-9-12-2-4-13(
    9)11(14)16/h1-4,7-8,10,15
    H,5-6H2,(H2,17,18,19)/t7-
    ,8+,10+/m0/s1;
    GFTHJCBXWZWVBW-QXFUBDJGSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C=Cc3n
    ccn3C2=O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O
    )(O)=O)N2C=Cc3nccn3C2=O; c1cn2c(n1)C=CN(
    C2=O)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)
    O; c1cn2c(n1)C=CN(C2=O)C3CC(C(O3)COP(=O)
    (O)O)O; O=P(O)(O)OCC3OC(N2C(=O)n1c(ncc1)
    C=C2)CC3O    		 N3,N4-ETHENO-2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE;
    6-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)imidazo[1,2-c]pyrimidin-5(6H)-one
    18541 EDD
    ZINC000103540250    		 2 C22 H23 Cl2 N5 O2 InChI=1S/C22H23Cl2N5O2/c1
    -22(2,3)17-12-19(27-21(31
    )26-16-9-5-8-15(23)20(16)
    24)29(28-17)14-7-4-6-13(1
    0-14)11-18(25)30/h4-10,12
    ,28H,11H2,1-3H3,(H2,25,30
    )(H,26,31)/b27-19+;
    LLLDJNNXZHGRQO-ZXVVBBHZSA-N    		 CC(C)(C)C1=CC(=NC(=O)Nc2cccc(c2Cl)Cl)N(N
    1)c3cccc(c3)CC(=O)N; Clc1cccc(c1Cl)NC(=O
    )/N=C3\C=C(NN3c2cccc(c2)CC(=O)N)C(C)(C)C
    ; CC(C)(C)C1=CC(=NC(=O)Nc2cccc(Cl)c2Cl)N
    (N1)c3cccc(CC(N)=O)c3    		 2-[3-(3-tert-butyl-5-{[(2,3-dichlorophenyl)carbamoyl]imino}-2,5-dihydro-1H-pyrazol-1-yl)phenyl]acetamide
    18542 EDE
    ZINC000098208823    		 0 C34 H59 N11 O10 InChI=1S/C34H59N11O10/c35
    -17-25(45-33(53)27(48)18-
    42-29(49)15-23(37)20-8-10
    -21(46)11-9-20)32(52)44-2
    4(34(54)55)6-3-5-22(36)26
    (47)16-30(50)43-19-31(51)
    41-14-4-13-40-12-2-1-7-28
    (38)39/h8-11,22-27,40,46-
    48H,1-7,12-19,35-37H2,(H3
    ,38,39)(H,41,51)(H,42,49)
    (H,43,50)(H,44,52)(H,45,5
    3)(H,54,55)/t22-,23-,24+,
    25-,26+,27-/m0/s1;
    WEPSNLBXXUYQJF-LQXCWRENSA-N    		 O=C(NCCCNCCCCC(=[N@H])N)CNC(=O)CC(O)C(N)
    CCCC(C(=O)O)NC(=O)C(NC(=O)C(O)CNC(=O)CC(
    N)c1ccc(O)cc1)CN; NC[CH](NC(=O)[CH](O)CN
    C(=O)C[CH](N)c1ccc(O)cc1)C(=O)N[CH](CCC[
    CH](N)[CH](O)CC(=O)NCC(=O)NCCCNCCCCC(N)=
    N)C(O)=O; [H]N=C(CCCCNCCCNC(=O)CNC(=O)CC
    (C(CCCC(C(=O)O)NC(=O)C(CN)NC(=O)C(CNC(=O
    )CC(c1ccc(cc1)O)N)O)N)O)N; [H]/N=C(\CCCC
    NCCCNC(=O)CNC(=O)C[C@H]([C@H](CCC[C@H](C
    (=O)O)NC(=O)[C@H](CN)NC(=O)[C@H](CNC(=O)
    C[C@@H](c1ccc(cc1)O)N)O)N)O)/N; NC[C@H](
    NC(=O)[C@@H](O)CNC(=O)C[C@H](N)c1ccc(O)c
    c1)C(=O)N[C@H](CCC[C@H](N)[C@H](O)CC(=O)
    NCC(=O)NCCCNCCCCC(N)=N)C(O)=O    		 EDEINE B
    18543 EDF
    CHEMBL4748851    		 1 C23 H25 N5 O InChI=1S/C23H25N5O/c1-15(
    2)28-16(3)22(29)27(4)20-1
    1-10-18(14-21(20)28)25-23
    -24-13-12-19(26-23)17-8-6
    -5-7-9-17/h5-16H,1-4H3,(H
    ,24,25,26)/t16-/m1/s1;
    KWZYVXCTSOTEMY-MRXNPFEDSA-N    		 CC1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4
    ccccc4)C; CC(C)N1[CH](C)C(=O)N(C)c2ccc(N
    c3nccc(n3)c4ccccc4)cc12; C[C@@H]1C(=O)N(
    c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4ccccc4)C;
    CC(C)N1[C@H](C)C(=O)N(C)c2ccc(Nc3nccc(n3
    )c4ccccc4)cc12    		 (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one
    18544 EDG
    CHEMBL406973
    DB03411
    ZINC000001492251    		 9 C5 H11 N O3 InChI=1S/C5H11NO3/c7-2-3-
    5(9)4(8)1-6-3/h3-9H,1-2H2
    /t3-,4-,5-/m0/s1;
    OQEBIHBLFRADNM-YUPRTTJUSA-N    		 C1[C@@H]([C@H]([C@@H](N1)CO)O)O; C1C(C(C
    (N1)CO)O)O; OC[C@@H]1NC[C@H](O)[C@H]1O;
    OC[CH]1NC[CH](O)[CH]1O    		 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL
    18545 EDH
    ZINC000030625264    		 1 C18 H18 N4 O2 InChI=1S/C18H18N4O2/c1-2-
    10-22-15-9-4-3-8-14(15)20
    -18(22)21-17(24)13-7-5-6-
    12(11-13)16(19)23/h3-9,11
    H,2,10H2,1H3,(H2,19,23)(H
    ,20,21,24);
    UOZVVPXKJGOFIG-UHFFFAOYSA-N    		 CCCN1C(Nc2ccccc12)=NC(=O)c3cccc(c3)C(N)=
    O; C(c3cccc(C(=O)/N=C1\Nc2c(N1CCC)cccc2)
    c3)(=O)N; CCCN1c2ccccc2NC1=NC(=O)c3cccc(
    c3)C(=O)N; CCCN\1c2ccccc2N/C1=N\C(=O)c3c
    ccc(c3)C(=O)N    		 N~1~-(1-propyl-1,3-dihydro-2H-benzimidazol-2-ylidene)benzene-1,3-dicarboxamide;
    EDHS-206
    18546 EDI
    ZINC000098208824    		 0 C12 H16 I N4 O7 P InChI=1S/C12H16IN4O7P/c13
    -1-2-16-5-15-11-10(12(16)
    19)14-6-17(11)9-3-7(18)8(
    24-9)4-23-25(20,21)22/h5-
    9,18H,1-4H2,(H2,20,21,22)
    /t7-,8+,9+/m0/s1;
    VZODOTFJXVCKSN-DJLDLDEBSA-N    		 c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=CN(C2
    =O)CCI; O=P(O)(O)OCC3OC(n2cnc1c2N=CN(C1=
    O)CCI)CC3O; c1nc2c(n1[C@H]3C[C@@H]([C@H]
    (O3)COP(=O)(O)O)O)N=CN(C2=O)CCI; O[C@H]1
    C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2cnc3C(=O
    )N(CCI)C=Nc23; O[CH]1C[CH](O[CH]1CO[P](O
    )(O)=O)n2cnc3C(=O)N(CCI)C=Nc23    		 2'-deoxy-1-(2-iodoethyl)inosine
    18547 EDJ
    CHEMBL4128069
    ZINC000253387916    		 5 C21 H21 Br N4 O5 InChI=1S/C21H21BrN4O5/c1-
    23-19(27)13-7-5-6-8-15(13
    )31-20-14(22)11-24-21(26-
    20)25-12-9-16(28-2)18(30-
    4)17(10-12)29-3/h5-11H,1-
    4H3,(H,23,27)(H,24,25,26);
    NEXGBSJERNQRSV-UHFFFAOYSA-N    		 CNC(=O)c1ccccc1Oc2nc(Nc3cc(OC)c(OC)c(OC)
    c3)ncc2Br; CNC(=O)c1ccccc1Oc2c(cnc(n2)Nc
    3cc(c(c(c3)OC)OC)OC)Br; c1(c(Br)cnc(n1)N
    c2cc(OC)c(OC)c(OC)c2)Oc3ccccc3/C(O)=N/C    		 2-({5-bromo-2-[(3,4,5-trimethoxyphenyl)amino]pyrimidin-4-yl}oxy)-N-methylbenzene-1-carboximidic acid
    18548 EDK
    CHEMBL434063
    ZINC000001490073    		 18 C30 H29 N3 O4 InChI=1S/C30H29N3O4/c1-33
    (28-13-7-8-18-31-28)19-20
    -37-24-16-14-22(15-17-24)
    21-27(30(35)36)32-26-12-6
    -5-11-25(26)29(34)23-9-3-
    2-4-10-23/h2-18,27,32H,19
    -21H2,1H3,(H,35,36)/t27-/
    m0/s1;
    QTQMRBZOBKYXCG-MHZLTWQESA-N    		 CN(CCOc1ccc(cc1)CC(C(=O)O)Nc2ccccc2C(=O)
    c3ccccc3)c4ccccn4; CN(CCOc1ccc(cc1)C[C@@
    H](C(=O)O)Nc2ccccc2C(=O)c3ccccc3)c4ccccn
    4; CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c3cc
    ccc3)C(O)=O)cc1)c4ccccn4; CN(CCOc1ccc(C[
    CH](Nc2ccccc2C(=O)c3ccccc3)C(O)=O)cc1)c4
    ccccn4    		 (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid
    18549 EDM 3 C9 H13 N3 O2 S InChI=1S/C9H13N3O2S/c1-5-
    7-6-8(12(2)3)11-9(10-7)15
    (4,13)14/h5-6H,1H2,2-4H3;
    LWXYVFFCCMAZFC-UHFFFAOYSA-N    		 CN(C)c1cc(C=C)nc(n1)[S](C)(=O)=O; O=S(=O
    )(c1nc(\C=C)cc(n1)N(C)C)C; CN(C)c1cc(nc(
    n1)S(=O)(=O)C)C=C    		 6-ethenyl-N,N-dimethyl-2-(methylsulfonyl)pyrimidin-4-amine
    18550 EDN
    CHEMBL816
    DB14189
    ZINC000037253587    		 2 C2 H8 N2 InChI=1S/C2H8N2/c3-1-2-4/
    h1-4H2;
    PIICEJLVQHRZGT-UHFFFAOYSA-N    		 C(CN)N; NCCN ETHANE-1,2-DIAMINE;
    ETHYLENEDIAMINE
    18551 EDO
    CHEMBL457299
    ZINC000005224354    		 168 C2 H6 O2 InChI=1S/C2H6O2/c3-1-2-4/
    h3-4H,1-2H2;
    LYCAIKOWRPUZTN-UHFFFAOYSA-N    		 OCCO; C(CO)O 1,2-ETHANEDIOL;
    ETHYLENE GLYCOL
    18552 EDP
    ZINC000000968353    		 1 C11 H18 N2 O2 S InChI=1S/C11H18N2O2S/c1-4
    -6-7(3)11(5-2)8(14)12-10(
    16)13-9(11)15/h7H,4-6H2,1
    -3H3,(H2,12,13,14,15,16)/
    t7-/m1/s1;
    IUJDSEJGGMCXSG-SSDOTTSWSA-N    		 CCC[C@@H](C)C1(CC)C(=O)NC(=S)NC1=O; CCC[
    CH](C)C1(CC)C(=O)NC(=S)NC1=O; CCCC(C)C1(
    C(=O)NC(=S)NC1=O)CC; CCC[C@@H](C)C1(C(=O
    )NC(=S)NC1=O)CC; O=C1NC(=S)NC(=O)C1(C(C)
    CCC)CC    		 5-ethyl-5-[(2R)-pentan-2-yl]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione;
    Thiopental
    18553 EDR
    CHEMBL1104
    DB01010
    ZINC000000001341    		 2 C10 H16 N O InChI=1S/C10H15NO/c1-4-11
    (2,3)9-6-5-7-10(12)8-9/h5
    -8H,4H2,1-3H3/p+1;
    VWLHWLSRQJQWRG-UHFFFAOYSA-O    		 CC[N+](C)(C)c1cccc(c1)O; Oc1cccc(c1)[N+]
    (C)(CC)C; CC[N+](C)(C)c1cccc(O)c1    		 EDROPHONIUM ION
    18554 EDS
    CHEMBL1650559
    DB12615
    ZINC000068150640    		 1 C25 H48 N6 O10 InChI=1S/C25H48N6O10/c1-2
    5(37)11-38-24(18(35)21(25
    )29-2)41-20-15(31-22(36)1
    6(33)5-6-26)9-14(28)19(17
    (20)34)40-23-13(27)4-3-12
    (39-23)10-30-7-8-32/h3,13
    -21,23-24,29-30,32-35,37H
    ,4-11,26-28H2,1-2H3,(H,31
    ,36)/t13-,14+,15-,16+,17+
    ,18-,19-,20+,21-,23-,24-,
    25+/m1/s1;
    IYDYFVUFSPQPPV-PEXOCOHZSA-N    		 CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C
    (O3)CNCCO)N)N)NC(=O)C(CCN)O)O; CN[C@@H]1
    [C@@H](O)[C@H](OC[C@]1(C)O)O[C@@H]2[C@@H
    ](O)[C@H](O[C@H]3OC(=CC[C@H]3N)CNCCO)[C@
    @H](N)C[C@H]2NC(=O)[C@@H](O)CCN; CN[CH]1
    [CH](O)[CH](OC[C]1(C)O)O[CH]2[CH](O)[CH]
    (O[CH]3OC(=CC[CH]3N)CNCCO)[CH](N)C[CH]2N
    C(=O)[CH](O)CCN; C1(C(NC(=O)C(CCN)O)CC(C
    (C1O)OC2C(CC=C(O2)CNCCO)N)N)OC3C(C(NC)C(
    O)(CO3)C)O; C[C@@]1(CO[C@@H]([C@@H]([C@H
    ]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H
    ]2O)O[C@@H]3[C@@H](CC=C(O3)CNCCO)N)N)NC(
    =O)[C@H](CCN)O)O    		 (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-{[(2S,3R)-3-amino-6-{[(2-hydroxyethyl)amino]methyl}-3,4-dihydro-2H-pyran-2-y l]oxy}-2-{[3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl]oxy}-3-hydroxycyclohexyl]-2-hydroxybutanamide;
    plazomicin
    18555 EDT
    CHEMBL858
    DB00974
    ZINC000019364242    		 39 C10 H16 N2 O8 InChI=1S/C10H16N2O8/c13-7
    (14)3-11(4-8(15)16)1-2-12
    (5-9(17)18)6-10(19)20/h1-
    6H2,(H,13,14)(H,15,16)(H,
    17,18)(H,19,20);
    KCXVZYZYPLLWCC-UHFFFAOYSA-N    		 O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)O; OC
    (=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O; C(CN
    (CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O    		 {[-(BIS-CARBOXYMETHYL-AMINO)-ETHYL]-CARBOXYMETHYL-AMINO}-ACETIC ACID
    18556 EDU
    CHEMBL222932
    ZINC000003794605    		 2 C11 H12 N2 O5 InChI=1S/C11H12N2O5/c1-2-
    6-4-13(11(17)12-10(6)16)9
    -3-7(15)8(5-14)18-9/h1,4,
    7-9,14-15H,3,5H2,(H,12,16
    ,17)/t7-,8+,9+/m0/s1;
    CDEURGJCGCHYFH-DJLDLDEBSA-N    		 C#CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O; OC[C
    H]1O[CH](C[CH]1O)N2C=C(C#C)C(=O)NC2=O; O
    =C1NC(=O)N(C=C1C#C)C2OC(C(O)C2)CO; C#CC1
    =CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO
    )O; OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C#C)C
    (=O)NC2=O    		 2'-deoxy-5-ethynyluridine
    18557 EDV
    ZINC000038978815    		 2 C12 H14 N2 O5 InChI=1S/C12H14N2O5/c1-3-
    7-4-14(12(18)13-10(7)17)1
    1-6(2)9(16)8(5-15)19-11/h
    1,4,6,8-9,11,15-16H,5H2,2
    H3,(H,13,17,18)/t6-,8+,9-
    ,11+/m0/s1;
    HBALXYGFMJGYHQ-GTQWGBSQSA-N    		 CC1C(C(OC1N2C=C(C(=O)NC2=O)C#C)CO)O; C[C
    @H]1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O
    )C#C)CO)O; O=C1NC(=O)N(C=C1C#C)C2OC(C(O)
    C2C)CO; C[C@H]1[C@H](O)[C@@H](CO)O[C@H]1
    N2C=C(C#C)C(=O)NC2=O; C[CH]1[CH](O)[CH](
    CO)O[CH]1N2C=C(C#C)C(=O)NC2=O    		 1-(2-deoxy-2-methyl-beta-D-arabinofuranosyl)-5-ethynylpyrimidine-2,4(1H,3H)-dione;
    (2'S)-2'-DEOXY-2'-METHYL-5-ETHYNYLURIDINE
    18558 EDX
    ZINC000031829399    		 0 C15 H22 N4 O4 InChI=1S/C15H22N4O4/c16-1
    4(17)18-9-5-4-8-12(13(20)
    21)19-15(22)23-10-11-6-2-
    1-3-7-11/h1-3,6-7,12H,4-5
    ,8-10H2,(H,19,22)(H,20,21
    )(H4,16,17,18)/t12-/m0/s1;
    KTPKIMJAZDFELN-LBPRGKRZSA-N    		 c1ccc(cc1)COC(=O)NC(CCCCNC(=N)N)C(=O)O;
    [H]/N=C(/N)\NCCCC[C@@H](C(=O)O)NC(=O)OCc
    1ccccc1; NC(=N)NCCCC[C@H](NC(=O)OCc1cccc
    c1)C(O)=O; NC(=N)NCCCC[CH](NC(=O)OCc1ccc
    cc1)C(O)=O    		 (2~{S})-6-carbamimidamido-2-(phenylmethoxycarbonylamino)hexanoic acid
    18559 EDZ
    ZINC000584905539    		 1 C11 H12 N4 O2 S InChI=1S/C11H12N4O2S/c16-
    6-5-8-3-1-2-4-9(8)13-11(1
    7)14-10-7-12-15-18-10/h1-
    4,7,16H,5-6H2,(H2,13,14,1
    7);
    DJQZHXFMOOHESI-UHFFFAOYSA-N    		 c1ccc(c(c1)CCO)NC(=O)Nc2cnns2; c1ccc(c(c
    1)CCO)NC(Nc2cnns2)=O; OCCc1ccccc1NC(=O)N
    c2snnc2    		 1-[2-(2-hydroxyethyl)phenyl]-3-(1,2,3-thiadiazol-5-yl)urea
    18560 EE0
    CHEMBL1916081
    ZINC000000391822    		 0 C5 H11 N O2 InChI=1S/C5H11NO2/c1-2-3-
    4(6)5(7)8/h4H,2-3,6H2,1H3
    ,(H,7,8)/t4-/m1/s1;
    SNDPXSYFESPGGJ-SCSAIBSYSA-N    		 CCC[C@@H](N)C(O)=O; CCC[CH](N)C(O)=O; CC
    C[C@H](C(=O)O)N; CCCC(C(=O)O)N    		 (2~{R})-2-azanylpentanoic acid
    18561 EE1 9 C26 H34 N7 O22 P3 InChI=1S/C26H34N7O22P3/c2
    7-21-15-23(30-7-29-21)33(
    8-31-15)25-20(54-56(43,44
    )45)18(38)13(53-25)6-51-5
    8(48,49)55-57(46,47)50-5-
    12-17(37)19(39)24(52-12)3
    2-2-1-9(11(4-32)22(28)40)
    10(3-14(34)35)16(36)26(41
    )42/h1-2,4,7-10,12-13,17-
    20,24-25,37-39H,3,5-6H2,(
    H2,28,40)(H,34,35)(H,41,4
    2)(H,46,47)(H,48,49)(H2,2
    7,29,30)(H2,43,44,45)/t9-
    ,10-,12+,13+,17+,18+,19+,
    20+,24+,25+/m0/s1;
    WSGZIHXYYXDDDT-PJNAXEGASA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OCC4C(C(C(O4)N5C=CC(C(=C5)C(=O)N
    )C(CC(=O)O)C(=O)C(=O)O)O)O)O)OP(=O)(O)O)
    N; NC(=O)C1=CN(C=C[C@H]1[C@H](CC(O)=O)C(
    =O)C(O)=O)[C@@H]2O[C@H](CO[P](O)(=O)O[P]
    (O)(=O)OC[C@H]3O[C@H]([C@H](O[P](O)(O)=O
    )[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H
    ]2O; 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)N5C=C[C@H](C(=C5)C
    (=O)N)[C@H](CC(=O)O)C(=O)C(=O)O)O)O)O)OP
    (=O)(O)O)N; NC(=O)C1=CN(C=C[CH]1[CH](CC(
    O)=O)C(=O)C(O)=O)[CH]2O[CH](CO[P](O)(=O)
    O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=
    O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O    		 (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid;
    NADPH with ketoglutarate adduct
    18562 EE2
    ZINC000095920885    		 4 C22 H20 O7 InChI=1S/C22H20O7/c23-17-
    10-12-3-1-2-4-15(12)16(17
    )9-13-5-7-18-21(20(13)22(
    26)27)28-11-14(29-18)6-8-
    19(24)25/h1-5,7,9,14,17,2
    3H,6,8,10-11H2,(H,24,25)(
    H,26,27)/b16-9+/t14-,17+/
    m1/s1;
    MFTKMGJMWGIHJP-HJKFZPBFSA-N    		 c1ccc\2c(c1)C[C@@H](/C2=C/c3ccc4c(c3C(=O
    )O)OC[C@H](O4)CCC(=O)O)O; O[C@H]1Cc2cccc
    c2\C1=C/c3ccc4O[C@H](CCC(O)=O)COc4c3C(O)
    =O; O=C(O)c2c(ccc1OC(COc12)CCC(=O)O)/C=C
    4\c3ccccc3CC4O; c1ccc2c(c1)CC(C2=Cc3ccc4
    c(c3C(=O)O)OCC(O4)CCC(=O)O)O; O[CH]1Cc2c
    cccc2C1=Cc3ccc4O[CH](CCC(O)=O)COc4c3C(O)
    =O    		 (2R)-2-(3-hydroxy-3-oxopropyl)-6-[(E)-[(2S)-2-oxidanyl-2,3-dihydroinden-1-ylidene]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
    18563 EE3 0 C10 H15 N3 O4 InChI=1S/C10H15N3O4/c11-7
    (10(15)16)3-1-2-4-13-9(14
    )8-5-12-6-17-8/h5-7H,1-4,
    11H2,(H,13,14)(H,15,16)/t
    7-/m0/s1;
    OXEFIYHXARXMRR-ZETCQYMHSA-N    		 N[CH](CCCCNC(=O)c1ocnc1)C(O)=O; c1c(ocn1
    )C(=O)NCCCCC(C(=O)O)N; N[C@@H](CCCCNC(=O
    )c1ocnc1)C(O)=O; c1c(ocn1)C(=O)NCCCC[C@@
    H](C(=O)O)N    		 (2~{S})-2-azanyl-6-(1,3-oxazol-5-ylcarbonylamino)hexanoic acid
    18564 EE4 2 C30 H30 F N5 O5 InChI=1S/C30H30FN5O5/c1-3
    -12-41-24-10-11-25(40-2)2
    7(31)26(24)28(37)17-4-6-1
    8(7-5-17)29(38)34-22-15-3
    2-16-23(22)35-30(39)19-8-
    9-21-20(13-19)14-33-36-21
    /h4-11,13-14,22-23,32H,3,
    12,15-16H2,1-2H3,(H,33,36
    )(H,34,38)(H,35,39)/t22-,
    23-/m1/s1;
    AYXNTJKOINXKAJ-DHIUTWEWSA-N    		 CCCOc1ccc(c(c1C(=O)c2ccc(cc2)C(=O)N[C@@H
    ]3CNC[C@H]3NC(=O)c4ccc5c(c4)cn[nH]5)F)OC
    ; CCCOc1ccc(OC)c(F)c1C(=O)c2ccc(cc2)C(=O
    )N[C@@H]3CNC[C@H]3NC(=O)c4ccc5[nH]ncc5c4
    ; c5c(C(c1c(OCCC)ccc(c1F)OC)=O)ccc(C(=O)
    NC2C(CNC2)NC(=O)c3cc4c(cc3)nnc4)c5; CCCO
    c1ccc(OC)c(F)c1C(=O)c2ccc(cc2)C(=O)N[CH]
    3CNC[CH]3NC(=O)c4ccc5[nH]ncc5c4; CCCOc1c
    cc(c(c1C(=O)c2ccc(cc2)C(=O)NC3CNCC3NC(=O
    )c4ccc5c(c4)cn[nH]5)F)OC    		 N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide
    18565 EE5
    CHEMBL5207717    		 2 C20 H16 N2 O3 S InChI=1S/C20H16N2O3S/c1-3
    -4-13-7-10-16-18(12(13)2)
    21-17(22-19(16)23)11-26-1
    5-8-5-14(6-9-15)20(24)25/
    h5-10H,11H2,1-2H3,(H,24,2
    5)(H,21,22,23);
    RMIJZTKTCJJVSA-UHFFFAOYSA-N    		 CC#Cc1ccc2C(=O)NC(=Nc2c1C)CSc3ccc(cc3)C(
    O)=O; CC#Cc1ccc2c(c1C)N=C(NC2=O)CSc3ccc(
    cc3)C(=O)O    		 4-[(8-methyl-4-oxidanylidene-7-prop-1-ynyl-3~{H}-quinazolin-2-yl)methylsulfanyl]benzoic acid
    18566 EE6 2 C27 H28 O5 InChI=1S/C27H28O5/c1-16(2
    )5-8-19-13-18(7-11-22(19)
    28)14-24-26(30)25(27(31)3
    2-24)21-10-12-23(29)20(15
    -21)9-6-17(3)4/h5-7,10-15
    ,28-30H,8-9H2,1-4H3;
    LFDYHAWYVIBCDT-UHFFFAOYSA-N    		 CC(=CCc1cc(ccc1O)C=C2C(=C(C(=O)O2)c3ccc(
    c(c3)CC=C(C)C)O)O)C; CC(C)=CCc1cc(ccc1O)
    \C=C/2OC(=O)C(=C/2O)c3ccc(O)c(CC=C(C)C)c
    3; CC(C)=CCc1cc(ccc1O)C=C2OC(=O)C(=C2O)c
    3ccc(O)c(CC=C(C)C)c3    		 3-[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]-5-[[3-(3-methylbut-2-enyl)-4-oxidanyl-phenyl]methylidene]-4-oxidanyl-furan-2-one
    18567 EE7
    CHEMBL4211318    		 1 C32 H36 F4 N8 O S InChI=1S/C32H36F4N8OS/c1-
    21-22(2-3-28-26(21)14-24(
    18-37)44(28)13-10-41-8-11
    -43(12-9-41)29(45)17-33)1
    9-42-6-4-23(5-7-42)40-30-
    27-15-25(16-32(34,35)36)4
    6-31(27)39-20-38-30/h2-3,
    14-15,20,23H,4-13,16-17,1
    9H2,1H3,(H,38,39,40);
    LEXHBKLOMBAPDX-UHFFFAOYSA-N    		 Cc1c(CN2CCC(CC2)Nc3ncnc4sc(CC(F)(F)F)cc3
    4)ccc5n(CCN6CCN(CC6)C(=O)CF)c(cc15)C#N;
    Cc1c(ccc2c1cc(n2CCN3CCN(CC3)C(=O)CF)C#N)
    CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F; c5
    6c(c(NC1CCN(CC1)Cc2ccc3c(c2C)cc(n3CCN4CC
    N(CC4)C(=O)CF)C#N)ncn5)cc(s6)CC(F)(F)F    		 1-{2-[4-(fluoroacetyl)piperazin-1-yl]ethyl}-4-methyl-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
    18568 EE8
    CHEMBL4166708    		 2 C10 H12 Cl N O2 InChI=1S/C10H12ClNO2/c1-3
    -14-10-5-4-8(6-9(10)11)12
    -7(2)13/h4-6H,3H2,1-2H3,(
    H,12,13);
    ORFOTXJLULZKSJ-UHFFFAOYSA-N    		 CCOc1ccc(cc1Cl)NC(=O)C; CCOc1ccc(NC(C)=O
    )cc1Cl    		 ~{N}-(3-chloranyl-4-ethoxy-phenyl)ethanamide
    18569 EE9
    CHEMBL4742169    		 1 C26 H26 N6 O InChI=1S/C26H26N6O/c1-16(
    2)32-17(3)25(33)31(4)23-1
    0-9-19(13-24(23)32)29-26-
    28-12-11-22(30-26)21-15-2
    7-14-18-7-5-6-8-20(18)21/
    h5-17H,1-4H3,(H,28,29,30)
    /t17-/m1/s1;
    SBOSVLRBKPEZMQ-QGZVFWFLSA-N    		 CC1C(=O)N(c2ccc(cc2N1C(C)C)Nc3nccc(n3)c4
    cncc5c4cccc5)C; CC(C)N1[C@H](C)C(=O)N(C)
    c2ccc(Nc3nccc(n3)c4cncc5ccccc45)cc12; CC
    (C)N1[CH](C)C(=O)N(C)c2ccc(Nc3nccc(n3)c4
    cncc5ccccc45)cc12; C[C@@H]1C(=O)N(c2ccc(
    cc2N1C(C)C)Nc3nccc(n3)c4cncc5c4cccc5)C    		 (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one
    18570 EEA
    CHEMBL1232487
    ZINC000058661305    		 1 C28 H29 Cl N4 O8 InChI=1S/C28H29ClN4O8/c29
    -19-3-1-2-18(14-19)16-4-6
    -17(7-5-16)23-15-20(41-33
    -23)8-11-24(34)31-22(10-1
    3-26(37)38)28(40)32-21(27
    (30)39)9-12-25(35)36/h1-7
    ,14-15,21-22H,8-13H2,(H2,
    30,39)(H,31,34)(H,32,40)(
    H,35,36)(H,37,38)/t21-,22
    -/m0/s1;
    KOVQMCGGWATESY-VXKWHMMOSA-N    		 NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=
    O)NC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl)c
    3; NC(=O)[CH](CCC(O)=O)NC(=O)[CH](CCC(O)
    =O)NC(=O)CCc1onc(c1)c2ccc(cc2)c3cccc(Cl)
    c3; O=C(O)CCC(C(=O)N)NC(=O)C(NC(=O)CCc3o
    nc(c2ccc(c1cccc(Cl)c1)cc2)c3)CCC(=O)O; c
    1cc(cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)N
    C(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N; c1cc
    (cc(c1)Cl)c2ccc(cc2)c3cc(on3)CCC(=O)N[C@
    @H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)
    N    		 N-{3-[3-(3'-chlorobiphenyl-4-yl)isoxazol-5-yl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamyl-amide
    18571 EEB
    ZINC000038377582    		 1 C21 H33 N3 O19 P2 InChI=1S/C21H33N3O19P2/c1
    -3-9(19(31)32)39-17-13(22
    -8(2)26)20(41-10(6-25)15(
    17)29)42-45(36,37)43-44(3
    4,35)38-7-11-14(28)16(30)
    18(40-11)24-5-4-12(27)23-
    21(24)33/h4-5,9-11,13-18,
    20,25,28-30H,3,6-7H2,1-2H
    3,(H,22,26)(H,31,32)(H,34
    ,35)(H,36,37)(H,23,27,33)
    /t9-,10-,11-,13-,14-,15-,
    16-,17-,18-,20-/m1/s1;
    DFCARJAECCPPGB-LHYXAPFASA-N    		 CC[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H]
    (O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]
    ([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@@H]
    1NC(C)=O)C(O)=O; O=P(OC1OC(C(O)C(OC(C(=O
    )O)CC)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2
    C=CC(=O)NC2=O)C(O)C3O; CCC(C(=O)O)O[C@@H
    ]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@@](
    =O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([
    C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)C; CC
    [CH](O[CH]1[CH](O)[CH](CO)O[CH](O[P](O)(
    =O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O
    )N3C=CC(=O)NC3=O)[CH]1NC(C)=O)C(O)=O; CC
    C(C(=O)O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP(=O
    )(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)NC(
    =O)C    		 URIDINE-DIPHOSPHATE-3(N-ACETYLGLUCOSAMINYL)BUTYRIC ACID
    18572 EEC
    CHEMBL1232489
    ZINC000058660930    		 1 C22 H26 N4 O8 InChI=1S/C22H26N4O8/c23-2
    1(32)15(7-10-19(28)29)25-
    22(33)16(8-11-20(30)31)24
    -18(27)9-6-14-12-17(26-34
    -14)13-4-2-1-3-5-13/h1-5,
    12,15-16H,6-11H2,(H2,23,3
    2)(H,24,27)(H,25,33)(H,28
    ,29)(H,30,31)/t15-,16-/m0
    /s1;
    LIIRZRQVACDFBI-HOTGVXAUSA-N    		 NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=
    O)NC(=O)CCc1onc(c1)c2ccccc2; O=C(O)CCC(C
    (=O)N)NC(=O)C(NC(=O)CCc2onc(c1ccccc1)c2)
    CCC(=O)O; NC(=O)[CH](CCC(O)=O)NC(=O)[CH]
    (CCC(O)=O)NC(=O)CCc1onc(c1)c2ccccc2; c1c
    cc(cc1)c2cc(on2)CCC(=O)NC(CCC(=O)O)C(=O)
    NC(CCC(=O)O)C(=O)N; c1ccc(cc1)c2cc(on2)C
    CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(
    =O)O)C(=O)N    		 N-[3-(3-phenylisoxazol-5-yl)propanoyl]-L-alpha-glutamyl-L-alpha-glutamyl-amide
    18573 EED
    DB07707
    ZINC000013610524    		 2 C20 H28 O3 InChI=1S/C20H28O3/c1-20-1
    0-13(11-23-2)19-15-6-4-14
    (21)9-12(15)3-5-16(19)17(
    20)7-8-18(20)22/h4,6,9,13
    ,16-19,21-22H,3,5,7-8,10-
    11H2,1-2H3/t13-,16+,17+,1
    8+,19-,20+/m1/s1;
    LEOPSILMAOYZBO-IUTAEKPZSA-N    		 C[C@]12C[C@@H]([C@@H]3c4ccc(cc4CC[C@H]3[
    C@@H]1CC[C@@H]2O)O)COC; COC[C@H]1C[C@]2(
    C)[C@@H](O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[
    C@@H]13; Oc1cc4c(cc1)C3C(CC2(C(CCC2O)C3C
    C4)C)COC; CC12CC(C3c4ccc(cc4CCC3C1CCC2O)
    O)COC; COC[CH]1C[C]2(C)[CH](O)CC[CH]2[CH
    ]3CCc4cc(O)ccc4[CH]13    		 (9BETA,11ALPHA,13ALPHA,14BETA,17ALPHA)-11-(METHOXYMETHYL)ESTRA-1(10),2,4-TRIENE-3,17-DIOL
    18574 EEE
    CHEMBL14152
    ZINC000000895412    		 17 C4 H8 O2 InChI=1S/C4H8O2/c1-3-6-4(
    2)5/h3H2,1-2H3;
    XEKOWRVHYACXOJ-UHFFFAOYSA-N    		 O=C(OCC)C; CCOC(C)=O; CCOC(=O)C ETHYL ACETATE
    18575 EEF
    ZINC000058649892    		 1 C25 H29 N3 O7 InChI=1S/C25H29N3O7/c26-2
    4(34)19(11-14-22(30)31)28
    -25(35)20(12-15-23(32)33)
    27-21(29)13-8-16-6-9-18(1
    0-7-16)17-4-2-1-3-5-17/h1
    -7,9-10,19-20H,8,11-15H2,
    (H2,26,34)(H,27,29)(H,28,
    35)(H,30,31)(H,32,33)/t19
    -,20-/m0/s1;
    KGICPKKIUBLFER-PMACEKPBSA-N    		 NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=
    O)NC(=O)CCc1ccc(cc1)c2ccccc2; c1ccc(cc1)
    c2ccc(cc2)CCC(=O)NC(CCC(=O)O)C(=O)NC(CCC
    (=O)O)C(=O)N; NC(=O)[CH](CCC(O)=O)NC(=O)
    [CH](CCC(O)=O)NC(=O)CCc1ccc(cc1)c2ccccc2
    ; c1ccc(cc1)c2ccc(cc2)CCC(=O)N[C@@H](CCC
    (=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N; C(C(
    NC(CCC(O)=O)C(=O)NC(CCC(O)=O)C(N)=O)=O)C
    c2ccc(c1ccccc1)cc2    		 N-(3-biphenyl-4-ylpropanoyl)-L-alpha-glutamyl-L-alpha-glutamyl-amide
    18576 EEG
    CHEMBL1232492
    ZINC000058661306    		 2 C29 H31 N3 O7 S InChI=1S/C29H31N3O7S/c30-
    28(38)22(11-14-26(34)35)3
    2-29(39)23(12-15-27(36)37
    )31-25(33)13-8-18-6-9-20(
    10-7-18)24-16-21(17-40-24
    )19-4-2-1-3-5-19/h1-7,9-1
    0,16-17,22-23H,8,11-15H2,
    (H2,30,38)(H,31,33)(H,32,
    39)(H,34,35)(H,36,37)/t22
    -,23-/m0/s1;
    MMIHYNVQXYWTFM-GOTSBHOMSA-N    		 c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N[C@
    @H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)
    N; c1ccc(cc1)c2cc(sc2)c3ccc(cc3)CCC(=O)N
    C(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)N; NC(=
    O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC
    (=O)CCc1ccc(cc1)c2scc(c2)c3ccccc3; O=C(O
    )CCC(C(=O)N)NC(=O)C(NC(=O)CCc3ccc(c2scc(
    c1ccccc1)c2)cc3)CCC(=O)O; NC(=O)[CH](CCC
    (O)=O)NC(=O)[CH](CCC(O)=O)NC(=O)CCc1ccc(
    cc1)c2scc(c2)c3ccccc3    		 N-{3-[4-(4-phenylthiophen-2-yl)phenyl]propanoyl}-L-alpha-glutamyl-L-alpha-glutamyl-amide
    18577 EEH 2 C33 H40 N4 O4 S InChI=1S/C33H40N4O4S/c1-2
    2-26-10-6-7-11-28(26)42-2
    9(22)20-30(38)35-25-14-12
    -24(13-15-25)19-32(40)37-
    17-16-36(21-31(39)34-2)33
    (41)27(37)18-23-8-4-3-5-9
    -23/h3-11,24-25,27H,12-21
    H2,1-2H3,(H,34,39)(H,35,3
    8)/t24-,25+,27-/m0/s1;
    OQRVFGJGKMZWJF-WEWMWRJBSA-N    		 Cc1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4C
    CN(C(=O)[C@@H]4Cc5ccccc5)CC(=O)NC; CNC(=
    O)CN1CCN([C@@H](Cc2ccccc2)C1=O)C(=O)C[C@
    @H]3CC[C@@H](CC3)NC(=O)Cc4sc5ccccc5c4C;
    CNC(=O)CN1CCN([CH](Cc2ccccc2)C1=O)C(=O)C
    [CH]3CC[CH](CC3)NC(=O)Cc4sc5ccccc5c4C; C
    c1c2ccccc2sc1CC(=O)NC3CCC(CC3)CC(=O)N4CC
    N(C(=O)C4Cc5ccccc5)CC(=O)NC    		 N-[4-[2-[(2S)-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-2-(phenylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]cyclohexyl]-2-(3-methyl-1-benzothiophen-2-yl)ethanamide
    18578 EEI
    CHEMBL3700112
    ZINC000113421716    		 2 C19 H19 N5 S InChI=1S/C19H19N5S/c1-13-
    9-14(2)24-10-16(21-18(24)
    20-13)12-25-19-22-17(11-2
    3(19)3)15-7-5-4-6-8-15/h4
    -11H,12H2,1-3H3;
    PHRXKMLPVHCGBS-UHFFFAOYSA-N    		 Cn1cc(nc1SCc2cn3c(C)cc(C)nc3n2)c4ccccc4;
    Cc1cc(n2cc(nc2n1)CSc3nc(cn3C)c4ccccc4)C    		 5,7-dimethyl-2-[(1-methyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
    18579 EEJ 1 C31 H31 Cl2 N9 O4 InChI=1S/C31H31Cl2N9O4/c1
    -19(43)41-13-3-4-20(17-41
    )14-26(36-29(44)12-7-22-1
    5-23(32)8-11-28(22)42-18-
    34-39-40-42)27-16-25(30(3
    3)38-37-27)21-5-9-24(10-6
    -21)35-31(45)46-2/h5-12,1
    5-16,18,20,26H,3-4,13-14,
    17H2,1-2H3,(H,35,45)(H,36
    ,44)/b12-7+/t20-,26+/m1/s
    1;
    QCCGVMDYTWPPFU-BONIYOLGSA-N    		 c1cc(ccc1c5cc(C(NC(\C=C\c2c(ccc(c2)Cl)n3
    cnnn3)=O)CC4CCCN(C4)C(=O)C)nnc5Cl)NC(OC)
    =O; COC(=O)Nc1ccc(cc1)c2cc(nnc2Cl)[C@H](
    C[C@H]3CCCN(C3)C(C)=O)NC(=O)/C=C/c4cc(Cl
    )ccc4n5cnnn5; COC(=O)Nc1ccc(cc1)c2cc(nnc
    2Cl)[CH](C[CH]3CCCN(C3)C(C)=O)NC(=O)C=Cc
    4cc(Cl)ccc4n5cnnn5; CC(=O)N1CCCC(C1)CC(c
    2cc(c(nn2)Cl)c3ccc(cc3)NC(=O)OC)NC(=O)C=
    Cc4cc(ccc4n5cnnn5)Cl; CC(=O)N1CCC[C@@H](
    C1)C[C@@H](c2cc(c(nn2)Cl)c3ccc(cc3)NC(=O
    )OC)NC(=O)/C=C/c4cc(ccc4n5cnnn5)Cl    		 methyl (4-{6-[(1S)-2-[(3R)-1-acetylpiperidin-3-yl]-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)ethyl]-3-chloropyridazin-4-yl}phenyl)carbamate
    18580 EEK 1 C9 H8 Cl2 N2 O3 InChI=1S/C9H8Cl2N2O3/c10-
    6-2-1-5(3-7(6)11)12-8(14)
    4-9(15)13-16/h1-3,16H,4H2
    ,(H,12,14)(H,13,15);
    ZGACHNBRFOETSO-UHFFFAOYSA-N    		 c1cc(c(cc1NC(=O)CC(=O)NO)Cl)Cl; ONC(=O)C
    C(=O)Nc1ccc(Cl)c(Cl)c1    		 ~{N}-(3,4-dichlorophenyl)-~{N}'-oxidanyl-propanediamide
    18581 EEL
    CHEMBL4784122    		 1 C9 H15 N O3 S2 InChI=1S/C9H15NO3S2/c11-8
    (6(4-14)5-15)10-3-1-2-7(1
    0)9(12)13/h6-7,14-15H,1-5
    H2,(H,12,13)/t7-/m1/s1;
    CTDDWEHVCFADKZ-SSDOTTSWSA-N    		 C1CC(N(C1)C(=O)C(CS)CS)C(=O)O; OC(=O)[C@
    H]1CCCN1C(=O)C(CS)CS; C1C[C@@H](N(C1)C(=
    O)C(CS)CS)C(=O)O; OC(=O)[CH]1CCCN1C(=O)C
    (CS)CS    		 (2R)-1-[3-sulfanyl-2-(sulfanylmethyl)propanoyl]pyrrolidine-2-carboxylic acid
    18582 EEM 11 C15 H23 N6 O5 Se InChI=1S/C15H22N6O5Se/c1-
    27(3-2-7(16)15(24)25)4-8-
    10(22)11(23)14(26-8)21-6-
    20-9-12(17)18-5-19-13(9)2
    1/h5-8,10-11,14,22-23H,2-
    4,16H2,1H3,(H2-,17,18,19,
    24,25)/p+1/t7-,8+,10+,11+
    ,14+,27-/m0/s1;
    GGJFWMOVUFBSIN-FCKMPRQPSA-O    		 C[Se+](CC[CH](N)C(O)=O)C[CH]1O[CH]([CH](
    O)[CH]1O)n2cnc3c(N)ncnc23; C[Se@@+](CC[C
    @H](N)C(O)=O)C[C@H]1O[C@H]([C@H](O)[C@@H
    ]1O)n2cnc3c(N)ncnc23; C[Se+](CCC(C(=O)O)
    N)CC1C(C(C(O1)n2cnc3c2ncnc3N)O)O; C[Se@@
    +](CC[C@@H](C(=O)O)N)C[C@@H]1[C@H]([C@H]
    ([C@@H](O1)n2cnc3c2ncnc3N)O)O; O=C(O)C(N
    )CC[Se+](C)CC3OC(n2cnc1c(ncnc12)N)C(O)C3
    O    		 [(3S)-3-amino-4-hydroxy-4-oxo-butyl]-[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl]-methyl-selanium;
    Se-ADENOSYLSELENOMETHIONINE
    18583 EEN 0 C8 H13 F2 N O6 InChI=1S/C8H13F2NO6/c9-6(
    10)7(15)11-3-5(14)4(13)2(
    1-12)17-8(3)16/h2-6,8,12-
    14,16H,1H2,(H,11,15)/t2-,
    3-,4+,5-,8+/m1/s1;
    QWUDJWPZSGMAGG-WWHASAIZSA-N    		 C(C1C(C(C(C(O1)O)NC(=O)C(F)F)O)O)O; OC[C
    @H]1O[C@H](O)[C@H](NC(=O)C(F)F)[C@@H](O)
    [C@H]1O; C([C@@H]1[C@@H]([C@@H]([C@H]([C
    @H](O1)O)NC(=O)C(F)F)O)O)O; OC[CH]1O[CH]
    (O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O    		 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose;
    N-DIFLUOROACETYL-D-GALACTOSAMINE;
    2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactose;
    2-deoxy-2-[(difluoroacetyl)amino]-D-galactose;
    2-deoxy-2-[(difluoroacetyl)amino]-galactose
    18584 EEO
    CHEMBL4764694    		 1 C11 H19 N O3 S InChI=1S/C11H19NO3S/c1-8(
    7-16)10(13)12-6-4-2-3-5-9
    (12)11(14)15/h8-9,16H,2-7
    H2,1H3,(H,14,15)/t8-,9-/m
    1/s1;
    AKICLYTXRQJFDT-RKDXNWHRSA-N    		 CC(CS)C(=O)N1CCCCCC1C(=O)O; C[CH](CS)C(=
    O)N1CCCCC[CH]1C(O)=O; C[C@H](CS)C(=O)N1C
    CCCC[C@@H]1C(O)=O; C[C@H](CS)C(=O)N1CCCC
    C[C@@H]1C(=O)O    		 (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]azepane-2-carboxylic acid
    18585 EEP 0 C6 H13 N O4 InChI=1S/C6H13NO4/c1-6(11
    ,3-8)2-4(7)5(9)10/h4,8,11
    H,2-3,7H2,1H3,(H,9,10)/t4
    -,6+/m0/s1;
    ASHXMQKUZGLXMR-UJURSFKZSA-N    		 C[C](O)(CO)C[CH](N)C(O)=O; C[C@@](C[C@@H
    ](C(=O)O)N)(CO)O; CC(CC(C(=O)O)N)(CO)O;
    C(C)(O)(CC(C(=O)O)N)CO; C[C@](O)(CO)C[C@
    H](N)C(O)=O    		 (2S,4R)-2-amino-4,5-dihydroxy-4-methylpentanoic acid
    18586 EEQ 0 C8 H14 F N O6 InChI=1S/C8H14FNO6/c9-1-4
    (12)10-5-7(14)6(13)3(2-11
    )16-8(5)15/h3,5-8,11,13-1
    5H,1-2H2,(H,10,12)/t3-,5-
    ,6+,7-,8+/m1/s1;
    LMPCEKTVFVQIPT-VDUCJHRSSA-N    		 OC[C@H]1O[C@H](O)[C@H](NC(=O)CF)[C@@H](O
    )[C@H]1O; OC[CH]1O[CH](O)[CH](NC(=O)CF)[
    CH](O)[CH]1O; C(C1C(C(C(C(O1)O)NC(=O)CF)
    O)O)O; C([C@@H]1[C@@H]([C@@H]([C@H]([C@H
    ](O1)O)NC(=O)CF)O)O)O    		 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose;
    2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide;
    2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactose;
    2-deoxy-2-[(fluoroacetyl)amino]-D-galactose;
    2-deoxy-2-[(fluoroacetyl)amino]-galactose
    18587 EER
    CHEMBL4779943    		 1 C10 H17 N O3 S InChI=1S/C10H17NO3S/c1-7(
    6-15)9(12)11-5-3-2-4-8(11
    )10(13)14/h7-8,15H,2-6H2,
    1H3,(H,13,14)/t7-,8-/m1/s
    1;
    FFNRAOIWXHDKFF-HTQZYQBOSA-N    		 CC(CS)C(=O)N1CCCCC1C(=O)O; C[C@H](CS)C(=
    O)N1CCCC[C@@H]1C(O)=O; C[C@H](CS)C(=O)N1
    CCCC[C@@H]1C(=O)O; C[CH](CS)C(=O)N1CCCC[
    CH]1C(O)=O    		 (2R)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-2-carboxylic acid
    18588 EES
    CHEMBL180071
    DB07708
    ZINC000013609473    		 2 C13 H9 Cl N2 O2 InChI=1S/C13H9ClN2O2/c14-
    13-11-7-10(18)5-6-12(11)1
    5-16(13)8-1-3-9(17)4-2-8/
    h1-7,17-18H;
    ZNHQDSBJVFFIAK-UHFFFAOYSA-N    		 Clc1c3cc(O)ccc3nn1c2ccc(O)cc2; Oc1ccc(cc
    1)n2nc3ccc(O)cc3c2Cl; c1cc(ccc1n2c(c3cc(
    ccc3n2)O)Cl)O    		 3-CHLORO-2-(4-HYDROXYPHENYL)-2H-INDAZOL-5-OL
    18589 EET
    ZINC000004655425    		 4 C20 H34 O4 InChI=1S/C20H34O4/c1-2-3-
    12-15-18(21)19(22)16-13-1
    0-8-6-4-5-7-9-11-14-17-20
    (23)24/h4,6-7,9-10,13,18-
    19,21-22H,2-3,5,8,11-12,1
    4-17H2,1H3,(H,23,24)/b6-4
    -,9-7-,13-10-/t18-,19-/m1
    /s1;
    SYAWGTIVOGUZMM-JHIAIUNDSA-N    		 CCCCC[C@H]([C@@H](C/C=C\CC=CC/C=C\CCCC(=
    O)O)O)O; CCCCCC(C(CC=CCC=CCC=CCCCC(=O)O)
    O)O; CCCCC[CH](O)[CH](O)CC=CCC=CCC=CCCCC
    (O)=O; CCCCC[C@@H](O)[C@H](O)C\C=C/C/C=C
    \C\C=C/CCCC(O)=O    		 (5~{Z},11~{Z},14~{R},15~{R})-14,15-bis(oxidanyl)icosa-5,8,11-trienoic acid
    18590 EEU
    ZINC000068057156    		 1 C35 H41 N3 O10 InChI=1S/C35H41N3O10/c1-3
    4-9-7-27-26-5-3-25(39)14-
    22(26)2-4-28(27)29(34)8-1
    1-35(34,48)10-6-21-12-23(
    15-37(17-30(40)41)18-31(4
    2)43)36-24(13-21)16-38(19
    -32(44)45)20-33(46)47/h3,
    5,12-14,27-29,39,48H,2,4,
    7-9,11,15-20H2,1H3,(H,40,
    41)(H,42,43)(H,44,45)(H,4
    6,47)/t27-,28-,29+,34+,35
    +/m1/s1;
    ASNZLCSGYOKOKE-MXUGPSOYSA-N    		 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1
    CC[C@]2(C#Cc5cc(nc(c5)CN(CC(=O)O)CC(=O)O
    )CN(CC(=O)O)CC(=O)O)O)O; CC12CCC3c4ccc(c
    c4CCC3C1CCC2(C#Cc5cc(nc(c5)CN(CC(=O)O)CC
    (=O)O)CN(CC(=O)O)CC(=O)O)O)O; C[C@]12CC[
    C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@
    ]2(O)C#Cc5cc(CN(CC(O)=O)CC(O)=O)nc(CN(CC
    (O)=O)CC(O)=O)c5; C[C]12CC[CH]3[CH](CCc4
    cc(O)ccc34)[CH]1CC[C]2(O)C#Cc5cc(CN(CC(O
    )=O)CC(O)=O)nc(CN(CC(O)=O)CC(O)=O)c5    		 ESTRADIOL-PYRIDINIUM TETRAACETIC ACID
    18591 EEV
    CHEMBL4216801    		 1 C29 H30 F3 N7 O2 S InChI=1S/C29H30F3N7O2S/c1
    -17-18(2-3-25-23(17)8-20(
    11-33)39(25)14-21-12-34-2
    6(40)15-41-21)13-38-6-4-1
    9(5-7-38)37-27-24-9-22(10
    -29(30,31)32)42-28(24)36-
    16-35-27/h2-3,8-9,16,19,2
    1H,4-7,10,12-15H2,1H3,(H,
    34,40)(H,35,36,37)/t21-/m
    0/s1;
    JTUOGOXWKQAKOR-NRFANRHFSA-N    		 Cc1c(ccc2c1cc(n2CC3CNC(=O)CO3)C#N)CN4CCC
    (CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F; c56c(c(N
    C1CCN(CC1)Cc4ccc3c(cc(C#N)n3CC2CNC(CO2)=
    O)c4C)ncn5)cc(CC(F)(F)F)s6; Cc1c(ccc2c1c
    c(n2C[C@@H]3CNC(=O)CO3)C#N)CN4CCC(CC4)Nc
    5c6cc(sc6ncn5)CC(F)(F)F; Cc1c(CN2CCC(CC2
    )Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5n(C[C@@H]
    6CNC(=O)CO6)c(cc15)C#N; Cc1c(CN2CCC(CC2)
    Nc3ncnc4sc(CC(F)(F)F)cc34)ccc5n(C[CH]6CN
    C(=O)CO6)c(cc15)C#N    		 4-methyl-1-{[(2S)-5-oxomorpholin-2-yl]methyl}-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}piperidin-1-yl)methyl]-1H-indole-2-carbonitrile
    18592 EEW
    CHEMBL3969277    		 2 C14 H27 N2 O5 P InChI=1S/C14H27N2O5P/c1-5
    -10(6-2)21-13-8-11(22(18,
    19)20-4)7-12(15)14(13)16-
    9(3)17/h8,10,12-14H,5-7,1
    5H2,1-4H3,(H,16,17)(H,18,
    19)/t12-,13+,14+/m0/s1;
    PYXVXICPPTUQQZ-BFHYXJOUSA-N    		 CCC(CC)O[CH]1C=C(C[CH](N)[CH]1NC(C)=O)[P
    ](O)(=O)OC; CCC(CC)O[C@@H]1C=C(C[C@@H]([
    C@H]1NC(=O)C)N)P(=O)(O)OC; CCC(CC)O[C@@H
    ]1C=C(C[C@H](N)[C@H]1NC(C)=O)[P](O)(=O)O
    C; CCC(CC)OC1C=C(CC(C1NC(=O)C)N)P(=O)(O)
    OC    		 [(3~{R},4~{R},5~{S})-4-acetamido-5-azanyl-3-pentan-3-yloxy-cyclohexen-1-yl]-methoxy-phosphinic acid
    18593 EEX
    CHEMBL4744333
    ZINC000026143403    		 2 C14 H17 N O3 S InChI=1S/C14H17NO3S/c1-9(
    8-19)13(16)15-7-6-10-4-2-
    3-5-11(10)12(15)14(17)18/
    h2-5,9,12,19H,6-8H2,1H3,(
    H,17,18)/t9-,12-/m1/s1;
    DMGKNMLYAQKRNE-BXKDBHETSA-N    		 C[CH](CS)C(=O)N1CCc2ccccc2[CH]1C(O)=O; C
    C(CS)C(=O)N1CCc2ccccc2C1C(=O)O; C[C@H](C
    S)C(=O)N1CCc2ccccc2[C@@H]1C(=O)O; C[C@H]
    (CS)C(=O)N1CCc2ccccc2[C@@H]1C(O)=O    		 (1R)-2-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
    18594 EEY
    CHEMBL510698
    ZINC000000003381    		 13 C12 H8 Cl N3 O3 InChI=1S/C12H8ClN3O3/c13-
    11-2-1-9(16(18)19)7-10(11
    )12(17)15-8-3-5-14-6-4-8/
    h1-7H,(H,14,15,17);
    FRPJSHKMZHWJBE-UHFFFAOYSA-N    		 C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl)
    =O; c1cc(c(cc1[N+](=O)[O-])C(=O)Nc2ccncc
    2)Cl; [O-][N+](=O)c1ccc(Cl)c(c1)C(=O)Nc2
    ccncc2    		 2-chloro-5-nitro-N-(pyridin-4-yl)benzamide
    18595 EEZ
    CHEMBL4175305    		 4 C23 H23 Cl N2 O4 S InChI=1S/C23H23ClN2O4S/c1
    -3-31(28,29)20-11-9-17(10
    -12-20)13-22(27)26-19-14-
    21(24)23(25-15-19)30-16(2
    )18-7-5-4-6-8-18/h4-12,14
    -16H,3,13H2,1-2H3,(H,26,2
    7)/t16-/m0/s1;
    VMHNMQCWPLURSW-INIZCTEOSA-N    		 CC[S](=O)(=O)c1ccc(CC(=O)Nc2cnc(O[CH](C)
    c3ccccc3)c(Cl)c2)cc1; CCS(=O)(=O)c1ccc(c
    c1)CC(=O)Nc2cc(c(nc2)O[C@@H](C)c3ccccc3)
    Cl; CC[S](=O)(=O)c1ccc(CC(=O)Nc2cnc(O[C@
    @H](C)c3ccccc3)c(Cl)c2)cc1; CCS(=O)(=O)c
    1ccc(cc1)CC(=O)Nc2cc(c(nc2)OC(C)c3ccccc3
    )Cl    		 ~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide
    18596 EF0
    CHEMBL4792244    		 1 C10 H17 N O3 S InChI=1S/C10H17NO3S/c1-7(
    6-15)9(12)11-4-2-8(3-5-11
    )10(13)14/h7-8,15H,2-6H2,
    1H3,(H,13,14)/t7-/m1/s1;
    VYYKYNRWNVSARB-SSDOTTSWSA-N    		 C[C@H](CS)C(=O)N1CCC(CC1)C(O)=O; CC(CS)C
    (=O)N1CCC(CC1)C(=O)O; C[C@H](CS)C(=O)N1C
    CC(CC1)C(=O)O; C[CH](CS)C(=O)N1CCC(CC1)C
    (O)=O    		 1-[(2S)-2-methyl-3-sulfanyl-propanoyl]piperidine-4-carboxylic acid
    18597 EF1
    CHEMBL2164463
    ZINC000003938462    		 1 C21 H35 N2 O5 P InChI=1S/C21H35N2O5P/c1-1
    6(2)20(23-19(24)13-12-17-
    9-5-3-6-10-17)29(27,28)15
    -18(21(25)26)11-7-4-8-14-
    22/h3,5-6,9-10,16,18,20H,
    4,7-8,11-15,22H2,1-2H3,(H
    ,23,24)(H,25,26)(H,27,28)
    /t18-,20-/m1/s1;
    DEWOTLFUKYSXIE-UYAOXDASSA-N    		 CC(C)[CH](NC(=O)CCc1ccccc1)[P](O)(=O)C[C
    H](CCCCCN)C(O)=O; CC(C)[C@H](NC(=O)CCc1c
    cccc1)[P](O)(=O)C[C@@H](CCCCCN)C(O)=O; C
    C(C)[C@H](NC(=O)CCc1ccccc1)P(=O)(C[C@@H]
    (CCCCCN)C(=O)O)O; CC(C)C(NC(=O)CCc1ccccc
    1)P(=O)(CC(CCCCCN)C(=O)O)O; O=C(O)C(CCCC
    CN)CP(=O)(O)C(NC(=O)CCc1ccccc1)C(C)C    		 (2S)-7-amino-2-{[(R)-hydroxy{(1R)-2-methyl-1-[(3-phenylpropanoyl)amino]propyl}phosphoryl]methyl}heptanoic acid;
    EF6265
    18598 EF2
    CHEMBL426123
    ZINC000001530947    		 75 C13 H10 N2 O4 InChI=1S/C13H10N2O4/c16-1
    0-6-5-9(11(17)14-10)15-12
    (18)7-3-1-2-4-8(7)13(15)1
    9/h1-4,9H,5-6H2,(H,14,16,
    17)/t9-/m0/s1;
    UEJJHQNACJXSKW-VIFPVBQESA-N    		 c1ccc2c(c1)C(=O)N(C2=O)[C@H]3CCC(=O)NC3=
    O; O=C1CC[CH](N2C(=O)c3ccccc3C2=O)C(=O)N
    1; c1ccc2c(c1)C(=O)N(C2=O)C3CCC(=O)NC3=O
    ; O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N
    1; O=C1NC(=O)CCC1N3C(=O)c2ccccc2C3=O    		 S-Thalidomide
    18599 EF3 2 C23 H27 F3 N6 O InChI=1S/C23H27F3N6O/c1-3
    0-7-9-32(10-8-30)6-3-11-3
    3-21-5-4-16(12-17(21)23(2
    4,25)26)18-13-20-22(19(14
    -27)29-18)28-15-31(20)2/h
    4-5,12-15,27H,3,6-11H2,1-
    2H3/b27-14+;
    MZJARPQAOGJEES-MZJWZYIUSA-N    		 [H]/N=C/c1c2c(cc(n1)c3ccc(c(c3)C(F)(F)F)
    OCCCN4CCN(CC4)C)n(cn2)C; CN1CCN(CCCOc2cc
    c(cc2C(F)(F)F)c3cc4n(C)cnc4c(C=N)n3)CC1;
    FC(F)(F)c4cc(c1nc(C=[N@H])c2ncn(c2c1)C)
    ccc4OCCCN3CCN(CC3)C; Cn1cnc2c1cc(nc2C=N)
    c3ccc(c(c3)C(F)(F)F)OCCCN4CCN(CC4)C    		 (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine
    18600 EF4
    ZINC000263620315    		 12 C45 H74 O10 InChI=1S/C45H74O10/c1-12-
    35-17-15-13-14-16-26(3)39
    (48)30(7)41(50)32(9)43(52
    )33(10)42(51)31(8)40(49)2
    7(4)18-21-38(47)53-44-29(
    6)36(20-19-35)54-45(34(44
    )11)23-22-25(2)37(55-45)2
    4-28(5)46/h13-15,17-18,21
    ,25-37,39-40,43-44,46,48-
    49,52H,12,16,19-20,22-24H
    2,1-11H3/b14-13+,17-15+,2
    1-18+/t25-,26+,27-,28+,29
    +,30-,31-,32+,33-,34-,35-
    ,36-,37-,39-,40+,43-,44+,
    45-/m0/s1;
    CMMLZMMKTYEOKV-RDKHTNMBSA-N    		 CC[CH]1CC[CH]2O[C]3(CC[CH](C)[CH](C[CH](
    C)O)O3)[CH](C)[CH](OC(=O)C=C[CH](C)[CH](
    O)[CH](C)C(=O)[CH](C)[CH](O)[CH](C)C(=O)
    [CH](C)[CH](O)[CH](C)CC=CC=C1)[CH]2C; CC
    C1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC
    (=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC
    =C1)C)O)C)C)O)C)C)O)C)C; CC[C@@H]\1CC[C@
    H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H](
    [C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@
    @H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H
    ](C(=O)[C@H]([C@H]([C@@H](C/C=C/C=C1)C)O
    )C)C)O)C)C)O)C)C; CC[C@@H]/1CC[C@@H]2O[C
    @]3(CC[C@H](C)[C@H](C[C@@H](C)O)O3)[C@@H
    ](C)[C@H](OC(=O)/C=C/[C@H](C)[C@@H](O)[C
    @H](C)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O
    )[C@@H](C)[C@@H](O)[C@H](C)C\C=C\C=C/1)[
    C@@H]2C; CC(CC3OC2(C(C)C1C(C(CCC(C=CC=CC
    C(C(C(C(C(C(C(C(C(C(C(C=CC(O1)=O)C)O)C)=
    O)C)O)C)=O)C)O)C)CC)O2)C)CCC3C)O    		 oligomycin C
    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)(download the PDF file).
  • 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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