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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    27201
    KPG
    ZINC000098209084    		 1 C6 H13 O10 P InChI=1S/C6H13O10P/c7-2(1
    -16-17(13,14)15)3(8)4(9)5
    (10)6(11)12/h3-6,8-12H,1H
    2,(H2,13,14,15)/t3-,4+,5+
    /m1/s1;
    GGBBRMAUDBKNLU-WISUUJSJSA-N    		 C(C(=O)[C@H]([C@@H]([C@@H](C(O)O)O)O)O)O
    P(=O)(O)O; C(C(=O)C(C(C(C(O)O)O)O)O)OP(=
    O)(O)O; OC(O)[CH](O)[CH](O)[CH](O)C(=O)C
    O[P](O)(O)=O; OC(O)[C@@H](O)[C@@H](O)[C@
    H](O)C(=O)CO[P](O)(O)=O    		 [(3S,4R,5S)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate
    27202
    KPH
    ZINC000005410581    		 0 C5 H15 N2 O3 P InChI=1S/C5H15N2O3P/c6-4-
    2-1-3-5(7)11(8,9)10/h5H,1
    -4,6-7H2,(H2,8,9,10)/t5-/
    m1/s1;
    LKFHLBGDPDYWSG-RXMQYKEDSA-N    		 C(CCN)CC(N)P(=O)(O)O; C(CCN)C[C@H](N)P(=
    O)(O)O; O=P(O)(O)C(N)CCCCN; NCCCC[C@H](N
    )[P](O)(O)=O; NCCCC[CH](N)[P](O)(O)=O    		 [(1R)-1,5-diaminopentyl]phosphonic acid
    27203
    KPI
    ZINC000058650743    		 0 C9 H16 N2 O4 InChI=1S/C9H16N2O4/c1-6(8
    (12)13)11-5-3-2-4-7(10)9(
    14)15/h7H,2-5,10H2,1H3,(H
    ,12,13)(H,14,15)/b11-6+/t
    7-/m0/s1;
    JXBWDTJQFXOTMZ-KEXZDQNZSA-N    		 CC(=NCCCC[CH](N)C(O)=O)C(O)=O; CC(=NCCCC
    [C@H](N)C(O)=O)C(O)=O; C/C(=N\CCCC[C@@H]
    (C(=O)O)N)/C(=O)O; CC(=NCCCCC(C(=O)O)N)C
    (=O)O; OC(C(N)CCCC\N=C(/C)C(O)=O)=O    		 (2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid
    27204
    KPJ
    CHEMBL4532683    		 4 C21 H27 F2 N3 InChI=1S/C21H27F2N3/c1-14
    -10-17(25-20(24)11-14)7-6
    -16-12-15(13-19(22)21(16)
    23)5-8-18-4-3-9-26(18)2/h
    10-13,18H,3-9H2,1-2H3,(H2
    ,24,25)/t18-/m1/s1;
    DWIFPRVVASXUJK-GOSISDBHSA-N    		 CN1CCC[C@@H]1CCc2cc(F)c(F)c(CCc3cc(C)cc(
    N)n3)c2; Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C
    C[C@H]3CCCN3C; c3(CCc1cc(cc(N)n1)C)cc(CC
    C2CCCN2C)cc(c3F)F; Cc1cc(nc(c1)N)CCc2cc(
    cc(c2F)F)CCC3CCCN3C; CN1CCC[CH]1CCc2cc(F
    )c(F)c(CCc3cc(C)cc(N)n3)c2    		 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    27205
    KPK
    CHEMBL1807642
    ZINC000034608219    		 1 C21 H20 N2 O2 S2 InChI=1S/C21H20N2O2S2/c1-
    14-6-4-9-18-20(14)15(13-2
    7-18)12-23-17-8-3-2-7-16(
    17)22-21(23)26-11-5-10-19
    (24)25/h2-4,6-9,13H,5,10-
    12H2,1H3,(H,24,25);
    YSOMBHFITHOMPW-UHFFFAOYSA-N    		 Cc1cccc2scc(Cn3c(SCCCC(O)=O)nc4ccccc34)c
    12; Cc1cccc2c1c(cs2)Cn3c4ccccc4nc3SCCCC(
    =O)O; O=C(O)CCCSc2nc1ccccc1n2Cc3c4c(cccc
    4sc3)C    		 4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)butanoic acid
    27206
    KPL
    DB03795
    ZINC000001532800    		 14 C6 H10 O4 InChI=1S/C6H10O4/c1-6(2,3
    -7)4(8)5(9)10/h7H,3H2,1-2
    H3,(H,9,10);
    PKVVTUWHANFMQC-UHFFFAOYSA-N    		 CC(C)(CO)C(=O)C(=O)O; O=C(O)C(=O)C(C)(C)
    CO; CC(C)(CO)C(=O)C(O)=O    		 KETOPANTOATE;
    2-DEHYDROPANTOATE
    27207
    KPM    		 1 C19 H30 N2 O13 InChI=1S/C19H30N2O13/c1-6
    (23)20-10-12(25)14(8(4-22
    )31-16(10)27)33-17-11(21-
    7(2)24)13(26)15-9(32-17)5
    -30-19(3,34-15)18(28)29/h
    8-17,22,25-27H,4-5H2,1-3H
    3,(H,20,23)(H,21,24)(H,28
    ,29)/t8-,9-,10-,11+,12-,1
    3-,14-,15-,16-,17+,19+/m1
    /s1;
    ZDEWQEOMIIQXJL-JRZDJGMASA-N    		 CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C3C(O2)COC
    (O3)(C)C(=O)O)O)NC(=O)C)O; CC(=O)N[C@@H]
    1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[
    C@H]([C@H]([C@H]3[C@H](O2)CO[C@](O3)(C)C
    (=O)O)O)NC(=O)C)O; CC(=O)N[C@H]1[C@H](O)
    O[C@H](CO)[C@@H](O[C@@H]2O[C@@H]3CO[C@@]
    (C)(O[C@H]3[C@H](O)[C@@H]2NC(C)=O)C(O)=O
    )[C@@H]1O; CC(=O)NC1C(C(C(OC1O)CO)OC3OC2
    COC(C(O)=O)(C)OC2C(O)C3NC(C)=O)O; CC(=O)
    N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH]3C
    O[C](C)(O[CH]3[CH](O)[CH]2NC(C)=O)C(O)=O
    )[CH]1O    		 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose
    27208
    KPN
    ZINC000064746691    		 0 C16 H18 N4 O3 InChI=1S/C16H18N4O3/c17-6
    -8-20(11-16(22)23)15(21)9
    -12-4-5-14(19-10-12)13-3-
    1-2-7-18-13/h1-5,7,10H,6,
    8-9,11,17H2,(H,22,23);
    AYWFQSXGKGSEHN-UHFFFAOYSA-N    		 O=C(O)CN(C(=O)Cc2cnc(c1ncccc1)cc2)CCN; c
    1ccnc(c1)c2ccc(cn2)CC(=O)N(CCN)CC(=O)O;
    NCCN(CC(O)=O)C(=O)Cc1ccc(nc1)c2ccccn2    		 N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine
    27209
    KPO    		 1 C37 H49 N9 O5 InChI=1S/C37H49N9O5/c38-1
    6-5-3-12-29-34(49)41-17-6
    -4-13-30(46-37(39)40)35(5
    0)43-23-33(48)42-22-26-9-
    7-8-24(18-26)21-32(47)44-
    31(36(51)45-29)20-25-14-1
    5-27-10-1-2-11-28(27)19-2
    5/h1-2,7-11,14-15,18-19,2
    9-31H,3-6,12-13,16-17,20-
    23,38H2,(H,41,49)(H,42,48
    )(H,43,50)(H,44,47)(H,45,
    51)(H4,39,40,46)/t29-,30+
    ,31-/m0/s1;
    NLCKEQZZDLBRBR-YPKYBTACSA-N    		 c1ccc2cc(ccc2c1)CC3C(=O)NC(C(=O)NCCCCC(C
    (=O)NCC(=O)NCc4cccc(c4)CC(=O)N3)NC(=N)N)
    CCCCN; NCCCC[CH]1NC(=O)[CH](Cc2ccc3ccccc
    3c2)NC(=O)Cc4cccc(CNC(=O)CNC(=O)[CH](CCC
    CNC1=O)NC(N)=N)c4; NCCCC[C@@H]1NC(=O)[C@
    H](Cc2ccc3ccccc3c2)NC(=O)Cc4cccc(CNC(=O)
    CNC(=O)[C@@H](CCCCNC1=O)NC(N)=N)c4; [H]/
    N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[
    C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O)Cc3
    ccc4ccccc4c3)CCCCN    		 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
    27210
    KPQ
    CHEMBL1076850
    ZINC000049672458    		 1 C4 H2 F9 N O2 S InChI=1S/C4H2F9NO2S/c5-1(
    6,3(9,10)11)2(7,8)4(12,13
    )17(14,15)16/h(H2,14,15,1
    6);
    FUVKFLJWBHVMHX-UHFFFAOYSA-N    		 N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)
    F; C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)
    (F)F    		 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
    27211
    KPR
    ZINC000584905595    		 8 C5 H10 N O5 P InChI=1S/C5H10NO5P/c1-4(6
    )5(7)2-3-11-12(8,9)10/h2-
    4H,6H2,1H3,(H2,8,9,10)/b3
    -2+/t4-/m0/s1;
    RTVKPJRIOVZREZ-ZPYNKGFJSA-N    		 C[C@H](N)C(=O)\C=C\O[P](O)(O)=O; C[C@@H]
    (C(=O)/C=C/OP(=O)(O)O)N; C[CH](N)C(=O)C=
    CO[P](O)(O)=O; CC(C(=O)C=COP(=O)(O)O)N    		 [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
    27212
    KPS
    ZINC000098209085    		 3 C9 H15 N2 O9 P InChI=1S/C9H15N2O9P/c12-5
    (1-4-2-10-9(16)11-8(4)15)
    7(14)6(13)3-20-21(17,18)1
    9/h2,5-7,12-14H,1,3H2,(H2
    ,17,18,19)(H2,10,11,15,16
    )/t5-,6+,7-/m0/s1;
    GIMVKTFECLUQAU-XVMARJQXSA-N    		 C1=C(C(=O)NC(=O)N1)CC(C(C(COP(=O)(O)O)O)
    O)O; O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C
    C1=CNC(=O)NC1=O; O=C1C(=CNC(=O)N1)CC(O)C
    (O)C(O)COP(=O)(O)O; C1=C(C(=O)NC(=O)N1)C
    [C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O;
    O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)C
    C1=CNC(=O)NC1=O    		 pseudouridine 5'-phosphate, linear;
    1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
    27213
    KPT
    CHEMBL362071
    ZINC000001709414    		 0 C19 H14 N O4 InChI=1S/C19H14NO4/c1-2-1
    6-19(24-10-21-16)14-8-20-
    4-3-12-6-17-18(23-9-22-17
    )7-13(12)15(20)5-11(1)14/
    h1-2,5-8H,3-4,9-10H2/q+1;
    XYHOBCMEDLZUMP-UHFFFAOYSA-N    		 c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO
    6)OCO2; O1c3c(OC1)c2c[n+]6c(cc2cc3)c5cc4
    OCOc4cc5CC6; C1Oc2cc3CC[n+]4cc5c6OCOc6cc
    c5cc4c3cc2O1    		 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium;
    Coptisine
    27214
    KPU    		 1 C12 H19 N2 O8 P InChI=1S/C12H19N2O8P/c1-7
    -11(16)9(5-14-10(2-3-15)1
    2(17)18)8(4-13-7)6-22-23(
    19,20)21/h4,10,14-16H,2-3
    ,5-6H2,1H3,(H,17,18)(H2,1
    9,20,21)/t10-/m0/s1;
    GLDZRPISEAFFFS-JTQLQIEISA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCO)C(=O)O)
    O; Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](CCO)C
    (O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C
    @@H](CCO)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)
    c(CN[CH](CCO)C(O)=O)c1O    		 (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-oxidanyl-butanoic acid
    27215
    KPV
    DB08050    		 6 C11 H12 O3 InChI=1S/C11H12O3/c12-10(
    11(13)14)8-4-7-9-5-2-1-3-
    6-9/h1-3,5-6H,4,7-8H2,(H,
    13,14);
    MJXXAPORLGKVLB-UHFFFAOYSA-N    		 OC(=O)C(=O)CCCc1ccccc1; c1ccc(cc1)CCCC(=
    O)C(=O)O; O=C(O)C(=O)CCCc1ccccc1    		 5-PHENYL-2-KETO-VALERIC ACID;
    2-OXO-5-PHENYLPENTANOIC ACID
    27216
    KPW
    CHEMBL4292491    		 1 C25 H26 N6 O2 S InChI=1S/C25H26N6O2S/c1-1
    6-5-4-6-20(28-16)24-23(21
    -14-25(2,3)15-31(21)30-24
    )17-11-12-27-22(13-17)29-
    18-7-9-19(10-8-18)34(26,3
    2)33/h4-13H,14-15H2,1-3H3
    ,(H,27,29)(H2,26,32,33);
    MOQLTEFWRJQFEZ-UHFFFAOYSA-N    		 Cc1cccc(n1)c2c(c3n(n2)CC(C3)(C)C)c4ccnc(
    c4)Nc5ccc(cc5)S(=O)(=O)N; Cc1cccc(n1)c2n
    n3CC(C)(C)Cc3c2c4ccnc(Nc5ccc(cc5)[S](N)(
    =O)=O)c4    		 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide;
    I39LT379
    27217
    KPX    		 16 C33 H38 N4 O6 InChI=1S/C33H38N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h8-9,11,14-15,19-20,26
    ,34H,2,7,10,12-13H2,1,3-6
    H3,(H,36,43)(H,37,42)(H,3
    8,39)(H,40,41)/b11-9+,27-
    14-,29-15-/t19-,20-,26-/m
    1/s1;
    DELSVXYVYXKOJW-GUEBWASOSA-N    		 CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3
    c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C
    )/C=C/C(=O)O)/C(=C2C)CCC(=O)O)C; CCC1C(C
    (=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C
    (=O)N4)C=C)C)C)C=CC(=O)O)C(=C2C)CCC(=O)O
    )C; CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[n
    H]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3C=CC(O)
    =O)C(=C2C)CCC(O)=O; O=C(O)CCC1=C(C)C(/C=
    C2\NC(=O)C(C)C2CC)=N/C1=C\c1[NH]c(CC2NC(
    =O)C(C=C)=C2C)c(C)c1/C=C/C(=O)O; CC[C@@H
    ]/1[C@@H](C)C(=O)NC/1=C/C2=N\C(=C/c3[nH]
    c(C[C@H]4NC(=O)C(=C4C)C=C)c(C)c3/C=C/C(O
    )=O)C(=C2C)CCC(O)=O    		 Bilin 584 (single linked);
    (2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
    27218
    KPY
    ZINC000098209086    		 0 C8 H14 N2 O4 S InChI=1S/C8H14N2O4S/c1-5(
    7(11)12)10-2-3-15-4-6(9)8
    (13)14/h6H,2-4,9H2,1H3,(H
    ,11,12)(H,13,14)/b10-5+/t
    6-/m0/s1;
    GXEFLMSEGCZSFI-UEEORIODSA-N    		 C/C(=N\CCSC[C@@H](C(=O)O)N)/C(=O)O; CC(=
    NCCSC[CH](N)C(O)=O)C(O)=O; CC(=NCCSCC(C(
    =O)O)N)C(=O)O; CC(=NCCSC[C@H](N)C(O)=O)C
    (O)=O; O=C(O)C(N)CSCC/N=C(/C(=O)O)C    		 (2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID;
    PYRUVOYL-L-THIALYSINE
    27219
    KQ0
    ZINC000012117037    		 2 C18 H19 N3 O S InChI=1S/C18H19N3OS/c1-22
    -15-6-4-14(5-7-15)18(8-9-
    18)19-11-13-12-20-21-17(1
    3)16-3-2-10-23-16/h2-7,10
    ,12,19H,8-9,11H2,1H3,(H,2
    0,21);
    CXRMCTBDMZVPNE-UHFFFAOYSA-N    		 COc1ccc(cc1)C2(CC2)NCc3c[nH]nc3c4cccs4;
    COc1ccc(cc1)C2(CC2)NCc3c[nH]nc3c4sccc4    		 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine
    27220
    KQ3    		 1 C18 H21 Cl N4 O2 InChI=1S/C18H21ClN4O2/c19
    -15-3-1-5-17(13-15)23(8-7
    -22-9-11-25-12-10-22)18(2
    4)21-16-4-2-6-20-14-16/h1
    -6,13-14H,7-12H2,(H,21,24
    );
    MLWZGJVGRRIOOY-UHFFFAOYSA-N    		 Clc1cccc(c1)N(CCN2CCOCC2)C(=O)Nc3cccnc3;
    Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1
    ; c1cc(cc(c1)Cl)N(CCN2CCOCC2)C(=O)Nc3ccc
    nc3    		 N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea
    27221
    KQ6    		 15 C33 H40 N4 O6 InChI=1S/C33H40N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h9,11,14-15,19-20,26,3
    4H,7-8,10,12-13H2,1-6H3,(
    H,36,43)(H,37,42)(H,38,39
    )(H,40,41)/b11-9+,27-14-,
    29-15-/t19-,20-,26-/m1/s1;
    KXOMFZIVZHIPRO-GUEBWASOSA-N    		 CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(
    C[CH]4NC(=O)C(=C4C)CC)c(C)c3C=CC(O)=O)C(
    =C2C)CCC(O)=O; O=C(O)CCC1=C(C)C(/C=C2\NC
    (=O)C(C)C2CC)=N/C1=C\c1[NH]c(CC2NC(=O)C(
    CC)=C2C)c(C)c1/C=C/C(=O)O; CCC1C(C(=O)NC
    1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4
    )CC)C)C)C=CC(=O)O)C(=C2C)CCC(=O)O)C; CC[
    C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c
    (c([nH]3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)/C=
    C/C(=O)O)/C(=C2C)CCC(=O)O)C; CC[C@@H]/1[
    C@@H](C)C(=O)NC/1=C/C2=N\C(=C/c3[nH]c(C[
    C@H]4NC(=O)C(=C4C)CC)c(C)c3/C=C/C(O)=O)C
    (=C2C)CCC(O)=O    		 Bilin 584 (doubly linked);
    (2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
    27222
    KQ7
    ZINC000014127956    		 1 C30 H37 N7 O3 InChI=1S/C30H37N7O3/c1-21
    -5-7-24(34-29(38)22-9-11-
    32-28(18-22)37-14-16-40-1
    7-15-37)19-26(21)35-30(39
    )23-6-8-27(33-20-23)31-12
    -10-25-4-3-13-36(25)2/h5-
    9,11,18-20,25H,3-4,10,12-
    17H2,1-2H3,(H,31,33)(H,34
    ,38)(H,35,39)/t25-/m0/s1;
    DVPVWRYIDHDOOO-VWLOTQADSA-N    		 Cc1ccc(cc1NC(=O)c2ccc(nc2)NCCC3CCCN3C)NC
    (=O)c4ccnc(c4)N5CCOCC5; Cc1ccc(cc1NC(=O)
    c2ccc(nc2)NCC[C@@H]3CCC[N@]3C)NC(=O)c4cc
    nc(c4)N5CCOCC5; CN1CCC[CH]1CCNc2ccc(cn2)
    C(=O)Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3
    C; CN1CCC[C@H]1CCNc2ccc(cn2)C(=O)Nc3cc(N
    C(=O)c4ccnc(c4)N5CCOCC5)ccc3C    		 N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide;
    N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxa mide
    27223
    KQ8    		 2 C15 H26 N4 O7 S2 InChI=1S/C15H26N4O7S2/c1-
    6-11(10(7(2)20)14(21)22)1
    9-12(15(23)24)13(6)27-9-3
    -8(17-5-9)4-18-28(16,25)2
    6/h6-11,17-20H,3-5H2,1-2H
    3,(H,21,22)(H,23,24)(H2,1
    6,25,26)/t6-,7-,8+,9+,10-
    ,11+/m1/s1;
    DGCDKVKIMXIBKA-ZBJKAAEASA-N    		 C[C@@H](O)[C@H]([C@H]1NC(=C(S[C@@H]2CN[C
    @H](CN[S](N)(=O)=O)C2)[C@@H]1C)C(O)=O)C(
    O)=O; C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[C
    H](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O)C(O)=
    O; CC1C(NC(=C1SC2CC(NC2)CNS(=O)(=O)N)C(=
    O)O)C(C(C)O)C(=O)O; C[C@@H]1[C@H](NC(=C1
    S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C
    @@H]([C@@H](C)O)C(=O)O    		 (2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid
    27224
    KQ9
    ZINC000088051686    		 0 C7 H16 N2 InChI=1S/C7H16N2/c1-9(2)6
    -7(8)4-3-5-7/h3-6,8H2,1-2
    H3;
    OMTAOOUFJIYVKU-UHFFFAOYSA-N    		 CN(C)CC1(CCC1)N; CN(C)CC1(N)CCC1 1-[(dimethylamino)methyl]cyclobutan-1-amine
    27225
    KQB    		 4 F3 Mg O InChI=1S/3FH.Mg.H2O/h3*1H
    ;;1H2/q;;;+4;/p-4;
    QUJZUQVZXBKESK-UHFFFAOYSA-J    		 O.F[Mg](F)F; [O][Mg](F)(F)F trifluoromagnesate monohydrate
    27226
    KQC
    ZINC000003956764    		 1 C6 H11 F O5 InChI=1S/C6H11FO5/c7-3-2(
    1-8)12-6(11)5(10)4(3)9/h2
    -6,8-11H,1H2/t2-,3-,4+,5-
    ,6-/m1/s1;
    FIHYONSINSKFAH-VFUOTHLCSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)
    O)O)F)O; OC[CH]1O[CH](O)[CH](O)[CH](O)[C
    H]1F; C(C1C(C(C(C(O1)O)O)O)F)O; OC[C@H]1
    O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1F    		 (2R,3R,4R,5S,6R)-5-fluoranyl-6-(hydroxymethyl)oxane-2,3,4-triol
    27227
    KQD
    CHEMBL4472879    		 8 C56 H56 N6 O6 InChI=1S/C56H56N6O6/c63-5
    1(57-47-25-39(47)33-13-5-
    1-6-14-33)43-29-61(30-44(
    43)52(64)58-48-26-40(48)3
    4-15-7-2-8-16-34)55(67)37
    -21-23-38(24-22-37)56(68)
    62-31-45(53(65)59-49-27-4
    1(49)35-17-9-3-10-18-35)4
    6(32-62)54(66)60-50-28-42
    (50)36-19-11-4-12-20-36/h
    1-24,39-50H,25-32H2,(H,57
    ,63)(H,58,64)(H,59,65)(H,
    60,66)/t39-,40-,41-,42-,4
    3-,44-,45-,46-,47+,48+,49
    +,50+/m1/s1;
    ABZBNXFGYUSVCJ-UYMKNZQYSA-N    		 c1ccc(cc1)C2CC2NC(=O)C3CN(CC3C(=O)NC4CC4
    c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7CC(C(C7)C
    (=O)NC8CC8c9ccccc9)C(=O)NC1CC1c1ccccc1;
    c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(
    C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O
    )c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)
    N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@
    @H]1c1ccccc1; O=C(N[C@H]1C[C@@H]1c2ccccc
    2)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c
    5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@
    @H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O
    )N[C@H]%10C[C@@H]%10c%11ccccc%11; C(=O)(
    c1ccc(cc1)C(N6CC(C(=O)NC2CC2c3ccccc3)C(C
    (=O)NC4CC4c5ccccc5)C6)=O)N9CC(C(=O)NC7CC
    7c8ccccc8)C(C9)C(=O)NC%10CC%10c%11ccccc%
    11; O=C(N[CH]1C[CH]1c2ccccc2)[CH]3CN(C[C
    H]3C(=O)N[CH]4C[CH]4c5ccccc5)C(=O)c6ccc(
    cc6)C(=O)N7C[CH]([CH](C7)C(=O)N[CH]8C[CH
    ]8c9ccccc9)C(=O)N[CH]%10C[CH]%10c%11cccc
    c%11    		 (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de};
    Diprovocim
    27228
    KQE    		 2 C18 H11 F3 N4 O InChI=1S/C18H11F3N4O/c19-
    18(20,21)26-14-3-1-2-13(1
    0-14)16-11-23-17-5-4-15(2
    4-25(16)17)12-6-8-22-9-7-
    12/h1-11H;
    SFBZOJORTROAIE-UHFFFAOYSA-N    		 FC(F)(F)Oc1cccc(c1)c2cnc3ccc(nn23)c4ccnc
    c4; c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)
    c4ccncc4    		 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine
    27229
    KQF
    ZINC000002525624    		 1 C11 H8 O3 InChI=1S/C11H8O3/c12-11(1
    3)9-5-3-8(4-6-9)10-2-1-7-
    14-10/h1-7H,(H,12,13);
    FOJYVBSPOBUCMV-UHFFFAOYSA-N    		 c1cc(oc1)c2ccc(cc2)C(=O)O; O=C(O)c1ccc(c
    c1)c1ccco1; OC(=O)c1ccc(cc1)c2occc2    		 4-(furan-2-yl)benzoic acid
    27230
    KQI    		 1 C19 H27 N5 O4 InChI=1S/C19H27N5O4/c1-14
    (26)17(13-25)23-19(28)16(
    12-15-8-4-2-5-9-15)22-18(
    27)10-6-3-7-11-21-24-20/h
    2,4-5,8-9,13-14,16-17,26H
    ,3,6-7,10-12H2,1H3,(H,22,
    27)(H,23,28)/t14-,16+,17-
    /m1/s1;
    JYMVTDPABCQINZ-HYVNUMGLSA-N    		 C[C@H]([C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)
    NC(=O)CCCCCN=[N+]=[N-])O; C[CH](O)[CH](N
    C(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N
    -])C=O; CC(C(C=O)NC(=O)C(Cc1ccccc1)NC(=O
    )CCCCCN=[N+]=[N-])O; C[C@@H](O)[C@H](NC(
    =O)[C@H](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-
    ])C=O    		 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide;
    Beta-lactone antibacterial agent (open form)
    27231
    KQK
    CHEMBL4848254    		 1 C12 H12 N6 InChI=1S/C12H12N6/c1-17(2
    )12-13-7-5-10(16-12)9-8-1
    5-18-11(9)4-3-6-14-18/h3-
    8H,1-2H3;
    IFLBFWBMAWIBBZ-UHFFFAOYSA-N    		 CN(C)c1nccc(n1)c2cnn3c2cccn3; CN(C)c1ncc
    c(n1)c2cnn3ncccc23    		 ~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
    27232
    KQL    		 1 C15 H13 F3 N2 O InChI=1S/C15H13F3N2O/c1-1
    0-5-6-19-9-13(10)20-14(21
    )8-11-3-2-4-12(7-11)15(16
    ,17)18/h2-7,9H,8H2,1H3,(H
    ,20,21);
    XYFCSWHALYQBPC-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(c2)C(F)(F)F; O=C(
    Nc1cnccc1C)Cc1cccc(c1)C(F)(F)F    		 N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
    27233
    KQN    		 1 C13 H23 N5 O4 InChI=1S/C13H23N5O4/c1-9(
    13(22)17-11(8-19)10(2)20)
    16-12(21)6-4-3-5-7-15-18-
    14/h8-11,20H,3-7H2,1-2H3,
    (H,16,21)(H,17,22)/t9-,10
    +,11+/m0/s1;
    QSZPURBQGQCCCA-HBNTYKKESA-N    		 C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[
    N+]=[N-])C=O; CC(C(C=O)NC(=O)C(C)NC(=O)C
    CCCCN=[N+]=[N-])O; C[C@@H](O)[C@H](NC(=O
    )[C@H](C)NC(=O)CCCCCN=[N+]=[N-])C=O; C[C
    @H]([C@@H](C=O)NC(=O)[C@H](C)NC(=O)CCCCC
    N=[N+]=[N-])O    		 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide;
    Beta-lactone antibacterial agent (open form)
    27234
    KQO    		 2 C25 H28 F N5 O3 InChI=1S/C25H28FN5O3/c1-3
    4-18-7-5-16(6-8-18)25(11-
    3-2-4-12-25)24(33)31-15-1
    7(26)13-21(31)23(32)29-22
    -10-9-19-20(28-22)14-27-3
    0-19/h5-10,14,17,21H,2-4,
    11-13,15H2,1H3,(H,27,30)(
    H,28,29,32)/t17-,21-/m1/s
    1;
    CCRMEUSDGNVQDG-DYESRHJHSA-N    		 COc1ccc(cc1)C2(CCCCC2)C(=O)N3CC(CC3C(=O)
    Nc4ccc5c(n4)cn[nH]5)F; COc1ccc(cc1)C2(CC
    CCC2)C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc4ccc
    5[nH]ncc5n4; COc1ccc(cc1)C2(CCCCC2)C(=O)
    N3C[C@@H](C[C@@H]3C(=O)Nc4ccc5c(n4)cn[nH
    ]5)F; COc1ccc(cc1)C2(CCCCC2)C(=O)N3C[CH]
    (F)C[CH]3C(=O)Nc4ccc5[nH]ncc5n4    		 (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide
    27235
    KQP
    CHEMBL4459279    		 1 C20 H23 Cl N2 O InChI=1S/C20H23ClN2O/c1-1
    9(2,24)15-6-4-13(5-7-15)1
    4-10-16(12-17(21)11-14)20
    (18(22)23)8-3-9-20/h4-7,1
    0-12,24H,3,8-9H2,1-2H3,(H
    3,22,23);
    VORBWTOFIFETCY-UHFFFAOYSA-N    		 [H]/N=C(/C1(CCC1)c2cc(cc(c2)Cl)c3ccc(cc3
    )C(C)(C)O)\N; c3c(C(C)(C)O)ccc(c1cc(cc(c
    1)Cl)C2(CCC2)\C(=N)N)c3; CC(C)(O)c1ccc(c
    c1)c2cc(Cl)cc(c2)C3(CCC3)C(N)=N; CC(C)(c
    1ccc(cc1)c2cc(cc(c2)Cl)C3(CCC3)C(=N)N)O    		 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide
    27236
    KQQ
    CHEMBL463931
    ZINC000044386931    		 1 C27 H32 N8 O3 S InChI=1S/C27H32N8O3S/c1-2
    7(2)8-10-35(21(36)14-34(3
    )4)19-13-18(20(38-5)12-16
    (19)27)31-26-32-24-15(6-9
    -29-24)25(33-26)30-17-7-1
    1-39-22(17)23(28)37/h6-7,
    9,11-13H,8,10,14H2,1-5H3,
    (H2,28,37)(H3,29,30,31,32
    ,33);
    YNSCKPCDFIDINW-UHFFFAOYSA-N    		 COc1cc2c(cc1Nc3nc4[nH]ccc4c(Nc5ccsc5C(N)
    =O)n3)N(CCC2(C)C)C(=O)CN(C)C; CC1(CCN(c2
    c1cc(c(c2)Nc3nc4c(cc[nH]4)c(n3)Nc5ccsc5C
    (=O)N)OC)C(=O)CN(C)C)C; O=C(N2c1cc(c(OC)
    cc1C(C)(C)CC2)Nc4nc(Nc3c(scc3)C(=O)N)c5c
    cnc5n4)CN(C)C    		 3-[(2-{[1-(N,N-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide
    27237
    KQR
    CHEMBL1922555
    ZINC000000158700    		 1 C11 H8 O2 S InChI=1S/C11H8O2S/c12-11(
    13)9-5-3-8(4-6-9)10-2-1-7
    -14-10/h1-7H,(H,12,13);
    CVDUBQJEQNRCIZ-UHFFFAOYSA-N    		 O=C(O)c1ccc(cc1)c1cccs1; OC(=O)c1ccc(cc1
    )c2sccc2; c1cc(sc1)c2ccc(cc2)C(=O)O    		 4-(thiophen-2-yl)benzoic acid
    27238
    KQS    		 4 C18 H18 F N3 O2 InChI=1S/C18H18FN3O2/c1-1
    1(13-4-2-3-5-14(13)19)8-1
    7(23)20-10-12-6-7-15-16(9
    -12)22-18(24)21-15/h2-7,9
    ,11H,8,10H2,1H3,(H,20,23)
    (H2,21,22,24)/t11-/m0/s1;
    JYQMTEASQYBLAO-NSHDSACASA-N    		 CC(CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F
    ; C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3
    ccccc3F; C[C@@H](CC(=O)NCc1ccc2NC(=O)Nc2
    c1)c3ccccc3F; C[CH](CC(=O)NCc1ccc2NC(=O)
    Nc2c1)c3ccccc3F    		 (3S)-3-(2-fluorophenyl)-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)butanamide)
    27239
    KQT
    CHEMBL4637310    		 0 C28 H27 N2 O4 InChI=1S/C28H27N2O4/c1-31
    -24-7-6-20-21(5-3-4-18-8-
    11-29-12-9-18)27-22-15-26
    -25(33-17-34-26)14-19(22)
    10-13-30(27)16-23(20)28(2
    4)32-2/h6-9,11-12,14-16H,
    3-5,10,13,17H2,1-2H3/q+1;
    QVKHJFYKHMGTFF-UHFFFAOYSA-N    		 COc1ccc2c(c1OC)c[n+]3c(c2CCCc4ccncc4)-c5
    cc6c(cc5CC3)OCO6; COc1ccc2c(CCCc3ccncc3)
    c4c5cc6OCOc6cc5CC[n+]4cc2c1OC    		 Berberine
    27240
    KQU    		 1 C13 H21 N O3 S Se2 InChI=1S/C13H21NO3SSe2/c1
    -2-3-8-19-9-11(15)10-20-1
    3-6-4-12(5-7-13)18(14,16)
    17/h4-7,11,15H,2-3,8-10H2
    ,1H3,(H2,14,16,17)/t11-/m
    1/s1;
    OQEKMFRBPRHRCV-LLVKDONJSA-N    		 CCCC[Se]CC(C[Se]c1ccc(cc1)S(=O)(=O)N)O;
    CCCC[Se]C[C@H](C[Se]c1ccc(cc1)S(=O)(=O)N
    )O; CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N
    )(=O)=O; CCCC[Se]C[C@@H](O)C[Se]c1ccc(cc
    1)[S](N)(=O)=O    		 4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide;
    4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
    27241
    KQV
    CHEMBL4575382    		 2 C40 H44 F2 N7 O9 P InChI=1S/C40H44F2N7O9P/c1
    -23(50)48-19-18-28-13-16-
    33(38(54)45-30(15-17-34(4
    3)51)36(52)47-35(24-8-4-2
    -5-9-24)25-10-6-3-7-11-25
    )49(28)39(55)32(22-48)46-
    37(53)31-21-26-20-27(12-1
    4-29(26)44-31)40(41,42)59
    (56,57)58/h2-12,14,20-21,
    28,30,32-33,35,44H,13,15-
    19,22H2,1H3,(H2,43,51)(H,
    45,54)(H,46,53)(H,47,52)(
    H2,56,57,58)/t28-,30+,32+
    ,33+/m1/s1;
    HBICZHLVBCLHSV-VUCLUUCHSA-N    		 CC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)
    NC(=O)c3[nH]c4ccc(cc4c3)C(F)(F)[P](O)(O)
    =O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c5ccccc
    5)c6ccccc6; c1(C(F)(P(=O)(O)O)F)cc2c(cc1
    )nc(c2)C(NC4C(=O)N3C(CCC3CCN(C4)C(=O)C)C
    (NC(C(=O)NC(c5ccccc5)c6ccccc6)CCC(=O)N)=
    O)=O; CC(=O)N1CCC2CCC(N2C(=O)C(C1)NC(=O)
    c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)C(=O)
    NC(CCC(=O)N)C(=O)NC(c5ccccc5)c6ccccc6; C
    C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)N
    C(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)
    C(=O)N[C@@H](CCC(=O)N)C(=O)NC(c5ccccc5)c
    6ccccc6; CC(=O)N1CC[CH]2CC[CH](N2C(=O)[C
    H](C1)NC(=O)c3[nH]c4ccc(cc4c3)C(F)(F)[P]
    (O)(O)=O)C(=O)N[CH](CCC(N)=O)C(=O)NC(c5c
    cccc5)c6ccccc6    		 [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
    27242
    KQW
    CHEMBL4848696    		 1 C14 H14 N6 InChI=1S/C14H14N6/c1-19(1
    0-4-5-10)14-15-8-6-12(18-
    14)11-9-17-20-13(11)3-2-7
    -16-20/h2-3,6-10H,4-5H2,1
    H3;
    OAIXSJCARVACKE-UHFFFAOYSA-N    		 CN(C1CC1)c2nccc(n2)c3cnn4ncccc34; CN(c1n
    ccc(n1)c2cnn3c2cccn3)C4CC4    		 ~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
    27243
    KQX    		 1 C15 H16 N2 O InChI=1S/C15H16N2O/c1-11-
    3-5-13(6-4-11)9-15(18)17-
    14-10-16-8-7-12(14)2/h3-8
    ,10H,9H2,1-2H3,(H,17,18);
    ADHDKMXDJWXBNY-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)Cc1ccc(C)cc1; Cc1ccc(cc1)
    CC(=O)Nc2cnccc2C; Cc1ccc(CC(=O)Nc2cnccc2
    C)cc1    		 2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide
    27244
    KQY
    ZINC000001706703    		 3 C6 H14 N2 O InChI=1S/C6H14N2O/c7-5-3-
    1-2-4-6(8)9/h1-5,7H2,(H2,
    8,9);
    ZLHYDRXTDZFRDZ-UHFFFAOYSA-N    		 C(CCC(=O)N)CCN; O=C(CCCCCN)N; NCCCCCC(N)
    =O    		 6-aminohexanamide
    27245
    KQZ
    CHEMBL4852953    		 1 C13 H13 N5 InChI=1S/C13H13N5/c1-18(2
    )13-15-7-5-11(17-13)10-8-
    16-12-9(10)4-3-6-14-12/h3
    -8H,1-2H3,(H,14,16);
    JQRPUUYNOCHMQZ-UHFFFAOYSA-N    		 CN(C)c1nccc(n1)c2c[nH]c3ncccc23; CN(C)c1
    nccc(n1)c2c[nH]c3c2cccn3    		 ~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
    27246
    KR
    CHEMBL1233877    		 37 Kr InChI=1S/Kr;
    DNNSSWSSYDEUBZ-UHFFFAOYSA-N    		 [Kr] KRYPTON
    27247
    KR0
    ZINC000165308908    		 6 C23 H44 O4 InChI=1S/C23H44O4/c1-3-5-
    7-9-11-13-15-18-22(24)26-
    20-17-21-27-23(25)19-16-1
    4-12-10-8-6-4-2/h3-21H2,1
    -2H3;
    PXVAQENAIBBOHT-UHFFFAOYSA-N    		 CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC 3-decanoyloxypropyl decanoate
    27248
    KR1
    CHEMBL1081651
    ZINC000049036301    		 1 C22 H20 F N5 O3 InChI=1S/C22H20FN5O3/c1-1
    1(2)18-19(20(29)15-5-12(3
    )4-13(6-15)9-24)28(22(31)
    27-21(18)30)10-14-7-16(23
    )26-17(25)8-14/h4-8,11H,1
    0H2,1-3H3,(H2,25,26)(H,27
    ,30,31);
    SORPAQIMHXALKW-UHFFFAOYSA-N    		 CC(C)C1=C(N(Cc2cc(N)nc(F)c2)C(=O)NC1=O)C
    (=O)c3cc(C)cc(c3)C#N; Cc1cc(cc(c1)C(=O)C
    2=C(C(=O)NC(=O)N2Cc3cc(nc(c3)F)N)C(C)C)C
    #N    		 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile
    27249
    KR2
    CHEMBL513425
    DB08051
    ZINC000016052306    		 2 C22 H24 F3 N3 O2 InChI=1S/C22H24F3N3O2/c23
    -18-14-20(25)19(24)12-16(
    18)11-17(26)13-21(29)27-9
    -5-2-6-10-28(27)22(30)15-
    7-3-1-4-8-15/h1,3-4,7-8,1
    2,14,17H,2,5-6,9-11,13,26
    H2/t17-/m1/s1;
    XXRHRPGYYNOBHO-QGZVFWFLSA-N    		 c1ccc(cc1)C(=O)N2CCCCCN2C(=O)CC(Cc3cc(c(
    cc3F)F)F)N; N[C@@H](CC(=O)N1CCCCCN1C(=O)
    c2ccccc2)Cc3cc(F)c(F)cc3F; N[CH](CC(=O)N
    1CCCCCN1C(=O)c2ccccc2)Cc3cc(F)c(F)cc3F;
    O=C(N2N(C(=O)c1ccccc1)CCCCC2)CC(N)Cc3cc(
    F)c(F)cc3F; c1ccc(cc1)C(=O)N2CCCCCN2C(=O
    )C[C@@H](Cc3cc(c(cc3F)F)F)N    		 (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE;
    (R)-3-AMINO-1-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE
    27250
    KR3
    ZINC000002041390    		 0 C9 H18 N2 O4 InChI=1S/C9H18N2O4/c1-2-1
    5-9(14)11-6-4-3-5-7(10)8(
    12)13/h7H,2-6,10H2,1H3,(H
    ,11,14)(H,12,13)/t7-/m0/s
    1;
    XMVZHEKLZHYPQS-ZETCQYMHSA-N    		 CCOC(=O)NCCCC[C@H](N)C(O)=O; O=C(NCCCCC(
    N)C(=O)O)OCC; CCOC(=O)NCCCC[CH](N)C(O)=O
    ; CCOC(=O)NCCCC[C@@H](C(=O)O)N; CCOC(=O)
    NCCCCC(C(=O)O)N    		 N~6~-(ethoxycarbonyl)-L-lysine
    27251
    KR4
    CHEMBL4570605    		 2 C19 H19 Cl N4 O InChI=1S/C19H19ClN4O/c1-2
    -17-22-18(14-4-3-5-15(20)
    12-14)24-19(23-17)21-16-8
    -6-13(7-9-16)10-11-25/h3-
    9,12,25H,2,10-11H2,1H3,(H
    ,21,22,23,24);
    WKMVCRJLJVVRHA-UHFFFAOYSA-N    		 CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl
    ; CCc1nc(Nc2ccc(CCO)cc2)nc(n1)c3cccc(Cl)
    c3; c2(nc(CC)nc(c1cc(Cl)ccc1)n2)Nc3ccc(c
    c3)CCO    		 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
    27252
    KR5
    ZINC000219082714    		 1 C14 H18 N4 O3 S InChI=1S/C14H18N4O3S/c1-1
    0-9-11(2)18(17-10)14(19)7
    -8-16-12-3-5-13(6-4-12)22
    (15,20)21/h3-6,9,16H,7-8H
    2,1-2H3,(H2,15,20,21);
    SQGUOOCGLKRFBU-UHFFFAOYSA-N    		 Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)
    C; O=C(n1nc(cc1C)C)CCNc2ccc(cc2)S(=O)(=O
    )N; Cc1cc(C)n(n1)C(=O)CCNc2ccc(cc2)[S](N
    )(=O)=O    		 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide
    27253
    KR6    		 1 C13 H21 N O3 S Se2 InChI=1S/C13H21NO3SSe2/c1
    -2-3-8-19-9-11(15)10-20-1
    3-6-4-12(5-7-13)18(14,16)
    17/h4-7,11,15H,2-3,8-10H2
    ,1H3,(H2,14,16,17)/t11-/m
    0/s1;
    OQEKMFRBPRHRCV-NSHDSACASA-N    		 CCCC[Se]CC(C[Se]c1ccc(cc1)S(=O)(=O)N)O;
    CCCC[Se]C[C@@H](C[Se]c1ccc(cc1)S(=O)(=O)
    N)O; CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](
    N)(=O)=O; CCCC[Se]C[C@H](O)C[Se]c1ccc(cc
    1)[S](N)(=O)=O    		 4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
    27254
    KR7
    CHEMBL4541964
    DB14790    		 4 C21 H15 Cl F3 N O2 InChI=1S/C21H15ClF3NO2/c2
    2-17-3-1-2-16(12-17)18-9-
    15(10-19(26-18)21(23,24)2
    5)8-13-4-6-14(7-5-13)11-2
    0(27)28/h1-7,9-10,12H,8,1
    1H2,(H,27,28);
    LTSUMTMGJHPGFX-UHFFFAOYSA-N    		 C(c2cc(C(F)(F)F)nc(c1cccc(c1)Cl)c2)c3ccc
    (cc3)CC(=O)O; OC(=O)Cc1ccc(Cc2cc(nc(c2)C
    (F)(F)F)c3cccc(Cl)c3)cc1; c1cc(cc(c1)Cl)
    c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O    		 (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid
    27255
    KR8
    CHEMBL360866
    ZINC000013582565    		 4 C17 H14 N6 InChI=1S/C17H14N6/c1-22(1
    3-6-3-2-4-7-13)17-18-11-9
    -15(21-17)14-12-20-23-16(
    14)8-5-10-19-23/h2-12H,1H
    3;
    XYEFJKRTJUALOK-UHFFFAOYSA-N    		 CN(c1ccccc1)c2nccc(n2)c3cnn4ncccc34; CN(
    c1ccccc1)c2nccc(n2)c3cnn4c3cccn4    		 ~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
    27256
    KR9    		 1 C29 H24 F3 N5 O4 InChI=1S/C29H24F3N5O4/c1-
    33-27(38)24(11-17-14-35-2
    2-6-4-3-5-19(17)22)37-28(
    39)23-9-7-16-13-34-15-21(
    26(16)36-23)20-12-18(41-2
    9(30,31)32)8-10-25(20)40-
    2/h3-10,12-15,24,35H,11H2
    ,1-2H3,(H,33,38)(H,37,39)
    /t24-/m0/s1;
    HXNJLYFKGOKJJR-DEOSSOPVSA-N    		 CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)c3c
    cc4cncc(c4n3)c5cc(ccc5OC)OC(F)(F)F; CNC(
    =O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc4c
    ncc(c5cc(OC(F)(F)F)ccc5OC)c4n3; CNC(=O)C
    (Cc1c[nH]c2c1cccc2)NC(=O)c3ccc4cncc(c4n3
    )c5cc(ccc5OC)OC(F)(F)F; CNC(=O)[CH](Cc1c
    [nH]c2ccccc12)NC(=O)c3ccc4cncc(c5cc(OC(F
    )(F)F)ccc5OC)c4n3    		 ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
    27257
    KRA
    CHEMBL1233878
    ZINC000006529331    		 0 C16 H14 O3 InChI=1S/C16H14O3/c17-14-
    8-6-13(7-9-14)11-16(19)15
    (18)10-12-4-2-1-3-5-12/h1
    -9,17H,10-11H2;
    PJJNUMKZYDTVRG-UHFFFAOYSA-N    		 O=C(C(=O)Cc1ccc(O)cc1)Cc2ccccc2; Oc1ccc(
    CC(=O)C(=O)Cc2ccccc2)cc1; c1ccc(cc1)CC(=
    O)C(=O)Cc2ccc(cc2)O    		 KURASOIN A;
    1-(4-HYDROXY-PHENYL)-4-PHENYL-BUTANE-2,3-DIONE
    27258
    KRB
    CHEMBL1233879
    ZINC000006529329    		 0 C18 H15 N O2 InChI=1S/C18H15NO2/c20-17
    (10-13-6-2-1-3-7-13)18(21
    )11-14-12-19-16-9-5-4-8-1
    5(14)16/h1-9,12,19H,10-11
    H2;
    AWNMAACWZSNOOV-UHFFFAOYSA-N    		 O=C(Cc1ccccc1)C(=O)Cc2c[nH]c3ccccc23; c1
    ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3; O=
    C(C(=O)Cc2c1ccccc1nc2)Cc3ccccc3    		 KURASOIN B;
    1-(2H-INDOL-3-YL)-4-PHENYL-BUTANE-2,3-DIONE
    27259
    KRC
    CHEMBL2042803
    ZINC000101510955    		 1 C30 H27 N O7 InChI=1S/C30H27NO7/c1-5-1
    6-10-11-17-8-6-7-9-18(17)
    19(16)14-31-29(36)25-22(3
    7-4)12-21(34)26-27(25)38-
    23-13-20(33)24(15(2)32)28
    (35)30(23,26)3/h6-13,33-3
    4H,5,14H2,1-4H3,(H,31,36)
    /t30-/m1/s1;
    CCHJJXMWNNECOU-SSEXGKCCSA-N    		 CCc1ccc2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC
    (=C(C(=O)[C@@]45C)C(=O)C)O)O)OC; O=C(NCc
    2c1ccccc1ccc2CC)c4c3OC5=CC(O)=C(C(=O)C5(
    c3c(O)cc4OC)C)C(=O)C; CCc1ccc2ccccc2c1CN
    C(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)C45C)C(=O
    )C)O)O)OC; CCc1ccc2ccccc2c1CNC(=O)c3c(OC
    )cc(O)c4c3OC5=CC(=C(C(C)=O)C(=O)[C@@]45C
    )O; CCc1ccc2ccccc2c1CNC(=O)c3c(OC)cc(O)c
    4c3OC5=CC(=C(C(C)=O)C(=O)[C]45C)O    		 (9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
    27260
    KRD
    CHEMBL4544243    		 4 C19 H18 Cl N5 O InChI=1S/C19H18ClN5O/c1-2
    -17-23-18(13-4-3-5-14(20)
    11-13)25-19(24-17)22-15-8
    -6-12(7-9-15)10-16(21)26/
    h3-9,11H,2,10H2,1H3,(H2,2
    1,26)(H,22,23,24,25);
    GVEYRZKCFLDNIU-UHFFFAOYSA-N    		 CCc1nc(nc(n1)Nc2ccc(cc2)CC(=O)N)c3cccc(c
    3)Cl; CCc1nc(Nc2ccc(CC(N)=O)cc2)nc(n1)c3
    cccc(Cl)c3; Clc1cccc(c1)c2nc(nc(n2)Nc3cc
    c(cc3)CC(N)=O)CC    		 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
    27261
    KRE
    CHEMBL4784430    		 4 C23 H27 N5 O3 S InChI=1S/C23H27N5O3S/c1-3
    1-21-12-17(11-19(14-21)27
    -32(2,29)30)22-13-18(15-2
    6-23(22)24)16-3-5-20(6-4-
    16)28-9-7-25-8-10-28/h3-6
    ,11-15,25,27H,7-10H2,1-2H
    3,(H2,24,26);
    WTNLXMJMLHJDKF-UHFFFAOYSA-N    		 COc1cc(N[S](C)(=O)=O)cc(c1)c2cc(cnc2N)c3
    ccc(cc3)N4CCNCC4; COc1cc(cc(c1)NS(=O)(=O
    )C)c2cc(cnc2N)c3ccc(cc3)N4CCNCC4    		 ~{N}-[3-[2-azanyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]-5-methoxy-phenyl]methanesulfonamide
    27262
    KRF
    CHEMBL5169569    		 1 C22 H29 F N4 O2 InChI=1S/C22H29FN4O2/c1-1
    4-6-7-19(23)18-13-20(25-2
    1(14)18)22(29)24-16-4-3-5
    -17(12-16)27-10-8-26(9-11
    -27)15(2)28/h6-7,13,16-17
    ,25H,3-5,8-12H2,1-2H3,(H,
    24,29)/t16-,17-/m1/s1;
    PGNLXEBQMQHFNK-IAGOWNOFSA-N    		 Cc1ccc(c2c1[nH]c(c2)C(=O)NC3CCCC(C3)N4CC
    N(CC4)C(=O)C)F; CC(=O)N1CCN(CC1)[CH]2CCC
    [CH](C2)NC(=O)c3[nH]c4c(C)ccc(F)c4c3; CC
    (=O)N1CCN(CC1)[C@@H]2CCC[C@H](C2)NC(=O)c
    3[nH]c4c(C)ccc(F)c4c3; Cc1ccc(c2c1[nH]c(
    c2)C(=O)N[C@@H]3CCC[C@H](C3)N4CCN(CC4)C(
    =O)C)F; Fc1ccc(C)c2[NH]c(cc12)C(=O)NC1CC
    (CCC1)N1CCN(CC1)C(C)=O    		 N-[(1R,3R)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide
    27263
    KRG
    CHEMBL1828984
    ZINC000072117097    		 5 C14 H15 N O4 InChI=1S/C14H15NO4/c1-4-1
    8-12-6-10(5-11(7-12)14(16
    )17)13-8(2)15-19-9(13)3/h
    5-7H,4H2,1-3H3,(H,16,17);
    GAMMHRRBGXCHRX-UHFFFAOYSA-N    		 CCOc1cc(cc(c1)C(=O)O)c2c(noc2C)C; O=C(O)
    c1cc(cc(OCC)c1)c2c(onc2C)C; CCOc1cc(cc(c
    1)c2c(C)onc2C)C(O)=O    		 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid
    27264
    KRH
    CHEMBL2088120
    ZINC000084703921    		 2 C25 H26 N6 O2 InChI=1S/C25H26N6O2/c1-16
    (2)13-30-23-21(24(32)29(4
    )25(30)33)22(20-12-26-15-
    28(20)3)31(27-23)14-18-10
    -7-9-17-8-5-6-11-19(17)18
    /h5-12,15-16H,13-14H2,1-4
    H3;
    QJBUEINIMXZUED-UHFFFAOYSA-N    		 O=C3c2c(c1cncn1C)n(nc2N(C(=O)N3C)CC(C)C)
    Cc5c4ccccc4ccc5; CC(C)CN1C(=O)N(C)C(=O)c
    2c1nn(Cc3cccc4ccccc34)c2c5cncn5C; CC(C)C
    N1c2c(c(n(n2)Cc3cccc4c3cccc4)c5cncn5C)C(
    =O)N(C1=O)C    		 5-methyl-3-(1-methyl-1H-imidazol-5-yl)-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-2H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione
    27265
    KRI
    DB04182
    ZINC000012504198    		 1 C9 H17 N O6 S InChI=1S/C9H17NO6S/c10-5(
    9(15)16)1-2-17-4-7(13)8(1
    4)6(12)3-11/h5,7-8,11,13-
    14H,1-4,10H2,(H,15,16)/t5
    -,7+,8-/m0/s1;
    QFXXRJSDEMCBPH-ARDNSNSESA-N    		 C(CSCC(C(C(=O)CO)O)O)C(C(=O)O)N; C(CSC[C
    @H]([C@H](C(=O)CO)O)O)[C@@H](C(=O)O)N; N
    [C@@H](CCSC[C@@H](O)[C@@H](O)C(=O)CO)C(O
    )=O; O=C(C(O)C(O)CSCCC(N)C(=O)O)CO; N[CH
    ](CCSC[CH](O)[CH](O)C(=O)CO)C(O)=O    		 (S)-2-AMINO-4-[(2S,3R)-2,3,5-TRIHYDROXY-4-OXO-PENTYL]MERCAPTO-BUTYRIC ACID
    27266
    KRJ
    CHEMBL257154
    ZINC000029046735    		 1 C22 H25 N5 O InChI=1S/C22H25N5O/c23-13
    -18-14-25-21(26-18)22(28)
    27-20-7-6-17(15-8-10-24-1
    1-9-15)12-19(20)16-4-2-1-
    3-5-16/h4,6-7,12,14-15,24
    H,1-3,5,8-11H2,(H,25,26)(
    H,27,28);
    XPCQXAQALLRVJQ-UHFFFAOYSA-N    		 O=C(Nc1ccc(cc1C2=CCCCC2)C3CCNCC3)c4[nH]c
    c(n4)C#N; c1cc(c(cc1C2CCNCC2)C3=CCCCC3)N
    C(=O)c4[nH]cc(n4)C#N    		 4-cyano-N-(2-cyclohex-1-en-1-yl-4-piperidin-4-ylphenyl)-1H-imidazole-2-carboxamide
    27267
    KRK
    CHEMBL4869255    		 1 C14 H13 F N6 InChI=1S/C14H13FN6/c15-10
    -4-7-20(9-10)14-16-6-3-12
    (19-14)11-8-18-21-13(11)2
    -1-5-17-21/h1-3,5-6,8,10H
    ,4,7,9H2/t10-/m0/s1;
    CTKSUQYBSSCMMB-JTQLQIEISA-N    		 c1cc2c(cnn2nc1)c3ccnc(n3)N4CCC(C4)F; F[C
    @H]1CCN(C1)c2nccc(n2)c3cnn4ncccc34; c1cc
    2c(cnn2nc1)c3ccnc(n3)N4CC[C@@H](C4)F; F[
    CH]1CCN(C1)c2nccc(n2)c3cnn4ncccc34    		 3-[2-[(3~{S})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]pyrazolo[1,5-b]pyridazine
    27268
    KRL
    CHEMBL398509
    ZINC000029039473    		 1 C22 H27 N5 O2 InChI=1S/C22H27N5O2/c1-25
    -11-13-26(14-12-25)17-5-7
    -19(20(15-17)27-9-3-2-4-1
    0-27)24-22(28)21-8-6-18(1
    6-23)29-21/h5-8,15H,2-4,9
    -14H2,1H3,(H,24,28);
    UUPPIQKPNBIUKY-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc(NC(=O)c3oc(cc3)C#N)c(c2
    )N4CCCCC4; CN1CCN(CC1)c2ccc(c(c2)N3CCCCC
    3)NC(=O)c4ccc(o4)C#N    		 5-cyano-N-[4-(4-methylpiperazin-1-yl)-2-piperidin-1-ylphenyl]furan-2-carboxamide
    27269
    KRM
    CHEMBL241634
    ZINC000000143094    		 1 C19 H19 N3 O2 InChI=1S/C19H19N3O2/c1-2-
    4-16(5-3-1)24-17-8-6-15(7
    -9-17)18-14-19(21-20-18)2
    2-10-12-23-13-11-22/h1-9,
    14H,10-13H2,(H,20,21);
    WQWBZRVAFAMASC-UHFFFAOYSA-N    		 C1CN(CCO1)c2cc([nH]n2)c3ccc(Oc4ccccc4)cc
    3; n3nc(c2ccc(Oc1ccccc1)cc2)cc3N4CCOCC4;
    c1ccc(cc1)Oc2ccc(cc2)c3cc(n[nH]3)N4CCOC
    C4    		 4-[5-(4-PHENOXYPHENYL)-1H-PYRAZOL-3-YL]MORPHOLINE
    27270
    KRN
    ZINC000238699601    		 2 C10 H12 O4 InChI=1S/C10H12O4/c11-8-4
    -2-1-3-7(8)9(12)5-6-10(13
    )14/h1-4,9,11-12H,5-6H2,(
    H,13,14)/t9-/m1/s1;
    DHPGRNIALDCANN-SECBINFHSA-N    		 c1ccc(c(c1)C(CCC(=O)O)O)O; c1ccc(c(c1)[C
    @@H](CCC(=O)O)O)O; C(C(O)=O)CC(c1c(cccc1
    )O)O; O[CH](CCC(O)=O)c1ccccc1O; O[C@H](C
    CC(O)=O)c1ccccc1O    		 (4R)-4-hydroxy-4-(2-hydroxyphenyl)butanoic acid
    27271
    KRO
    CHEMBL3990191
    ZINC000095921083    		 2 C14 H13 F N2 O4 InChI=1S/C14H13FN2O4/c1-7
    -6-8(3-5-10(7)15)2-4-9-11
    (13(19)20)16-14(21)17-12(
    9)18/h3,5-6H,2,4H2,1H3,(H
    ,19,20)(H2,16,17,18,21);
    ZLAJUTPBANPKKJ-UHFFFAOYSA-N    		 O=C1NC(C(=O)O)=C(C(=O)N1)CCc2ccc(F)c(c2)
    C; Cc1cc(ccc1F)CCC2=C(NC(=O)NC2=O)C(=O)O
    ; Cc1cc(CCC2=C(NC(=O)NC2=O)C(O)=O)ccc1F    		 5-[2-(4-fluoro-3-methylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    27272
    KRP
    CHEMBL1081659
    ZINC000049036965    		 1 C19 H21 N3 O3 InChI=1S/C19H21N3O3/c1-5-
    6-22-16(15(11(2)3)18(24)2
    1-19(22)25)17(23)14-8-12(
    4)7-13(9-14)10-20/h7-9,11
    H,5-6H2,1-4H3,(H,21,24,25
    );
    ZXONPSZUOLSXSE-UHFFFAOYSA-N    		 CCCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(
    c2)C#N)C; CCCN1C(=O)NC(=O)C(=C1C(=O)c2cc
    (C)cc(c2)C#N)C(C)C    		 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile
    27273
    KRQ
    CHEMBL4581461    		 1 C11 H10 N6 InChI=1S/C11H10N6/c1-12-1
    1-13-6-4-9(16-11)8-7-15-1
    7-10(8)3-2-5-14-17/h2-7H,
    1H3,(H,12,13,16);
    AXNJRTBQYGIJON-UHFFFAOYSA-N    		 CNc1nccc(n1)c2cnn3c2cccn3; CNc1nccc(n1)c
    2cnn3ncccc23    		 ~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
    27274
    KRS
    CHEMBL448685    		 32 C16 H20 O5 InChI=1S/C16H20O5/c1-9-3-
    2-4-12(20-9)8-13-6-10-5-1
    1(17)7-14(18)15(10)16(19)
    21-13/h5,7,9,12-13,17-18H
    ,2-4,6,8H2,1H3/t9-,12+,13
    +/m0/s1;
    WOMKDMUZNBFXKG-ZWKOPEQDSA-N    		 CC1CCCC(O1)CC2Cc3cc(cc(c3C(=O)O2)O)O; O=
    C3OC(CC1OC(CCC1)C)Cc2cc(O)cc(O)c23; C[C@
    H]1CCC[C@@H](O1)C[C@H]2Cc3cc(cc(c3C(=O)O
    2)O)O; C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc
    (O)c3C(=O)O2)O1; C[CH]1CCC[CH](C[CH]2Cc3
    cc(O)cc(O)c3C(=O)O2)O1    		 cladosporin;
    (3R)-3-[[(2R,6S)-6-methyloxan-2-yl]methyl]-6,8-bis(oxidanyl)-3,4-dihydroisochromen-1-one
    27275
    KRT
    CHEMBL140747
    ZINC000169747023    		 1 C9 H9 B O4 InChI=1S/C9H9BO4/c11-9(12
    )5-4-7-2-1-3-8(6-7)10(13)
    14/h1-6,13-14H,(H,11,12)/
    b5-4+;
    QCHIEOGZUMAQKI-SNAWJCMRSA-N    		 B(c1cccc(c1)/C=C/C(=O)O)(O)O; OB(O)c1ccc
    c(C=CC(O)=O)c1; B(c1cccc(c1)C=CC(=O)O)(O
    )O; OB(O)c1cccc(/C=C/C(O)=O)c1    		 (~{E})-3-[3-(dihydroxyboranyl)phenyl]prop-2-enoic acid
    27276
    KRU    		 3 C19 H21 N2 O InChI=1S/C19H20N2O/c22-19
    (21-12-15-8-4-5-9-16(15)1
    3-21)18-10-17(11-20-18)14
    -6-2-1-3-7-14/h1-9,17-18,
    20H,10-13H2/p+1/t17-,18-/
    m1/s1;
    CNNYTLGFUDHERQ-QZTJIDSGSA-O    		 c1ccc(cc1)C2CC([NH2+]C2)C(=O)N3Cc4ccccc4
    C3; c1ccc(cc1)[C@@H]2C[C@@H]([NH2+]C2)C(
    =O)N3Cc4ccccc4C3; O=C([CH]1C[CH](C[NH2+]
    1)c2ccccc2)N3Cc4ccccc4C3; O=C([C@H]1C[C@
    H](C[NH2+]1)c2ccccc2)N3Cc4ccccc4C3    		 1,3-dihydroisoindol-2-yl-[(2R,4S)-4-phenylpyrrolidin-1-ium-2-yl]methanone
    27277
    KRV
    CHEMBL1081658
    ZINC000043201700    		 1 C18 H19 N3 O3 InChI=1S/C18H19N3O3/c1-5-
    21-15(14(10(2)3)17(23)20-
    18(21)24)16(22)13-7-11(4)
    6-12(8-13)9-19/h6-8,10H,5
    H2,1-4H3,(H,20,23,24);
    AYPIJAMXGVYYRQ-UHFFFAOYSA-N    		 CCN1C(=C(C(=O)NC1=O)C(C)C)C(=O)c2cc(cc(c
    2)C#N)C; CCN1C(=O)NC(=O)C(=C1C(=O)c2cc(C
    )cc(c2)C#N)C(C)C    		 3-{[3-ethyl-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}-5-methylbenzonitrile
    27278
    KRW
    CHEMBL2001019
    DB12848
    ZINC000043195316    		 1 C19 H16 N8 O InChI=1S/C19H16N8O/c28-7-
    6-26-12-15(9-22-26)17-10-
    21-18-19(23-17)27(25-24-1
    8)11-13-3-4-16-14(8-13)2-
    1-5-20-16/h1-5,8-10,12,28
    H,6-7,11H2;
    PDMUGYOXRHVNMO-UHFFFAOYSA-N    		 c1cc2cc(ccc2nc1)Cn3c4c(ncc(n4)c5cnn(c5)C
    CO)nn3; OCCn1cc(cn1)c2cnc3nnn(Cc4ccc5ncc
    cc5c4)c3n2; OCCn5ncc(c1nc2c(nc1)nnn2Cc4c
    c3cccnc3cc4)c5    		 2-{4-[1-(QUINOLIN-6-YLMETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRAZIN-6-YL]-1H-PYRAZOL-1-YL}ETHANOL
    27279
    KRX
    CHEMBL3425948
    ZINC000117946114    		 2 C20 H22 F3 N3 O2 InChI=1S/C20H22F3N3O2/c1-
    28-17-4-2-3-14(11-17)18-6
    -5-15(12-24-18)19(27)25-1
    6-7-9-26(10-8-16)13-20(21
    ,22)23/h2-6,11-12,16H,7-1
    0,13H2,1H3,(H,25,27);
    KJXMFUFGGQJXRP-UHFFFAOYSA-N    		 FC(F)(F)CN3CCC(NC(=O)c1ccc(nc1)c2cccc(OC
    )c2)CC3; COc1cccc(c1)c2ccc(cn2)C(=O)NC3C
    CN(CC3)CC(F)(F)F    		 6-(3-methoxyphenyl)-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyridine-3-carboxamide
    27280
    KRY    		 2 C15 H11 F2 N3 O3 S InChI=1S/C15H11F2N3O3S/c1
    6-10-1-6-14(13(17)9-10)20
    -8-7-19(15(20)21)11-2-4-1
    2(5-3-11)24(18,22)23/h1-9
    H,(H2,18,22,23);
    GEYINGHKGSVZTE-UHFFFAOYSA-N    		 c1cc(ccc1N2C=CN(C2=O)c3ccc(cc3F)F)S(=O)(
    =O)N; N[S](=O)(=O)c1ccc(cc1)N2C=CN(C2=O)
    c3ccc(F)cc3F; Fc1cc(F)ccc1N2C(N(C=C2)c3c
    cc(S(=O)(=O)N)cc3)=O    		 4-[3-(2,4-difluorophenyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]benzene-1-sulfonamide
    27281
    KRZ
    CHEMBL4471968    		 1 C20 H25 I N4 O9 InChI=1S/C20H25IN4O9/c21-
    12-3-1-11(2-4-12)17(29)22
    -10-8-15(26)24-14(19(32)3
    3)7-9-23-20(34)25-13(18(3
    0)31)5-6-16(27)28/h1-4,13
    -14H,5-10H2,(H,22,29)(H,2
    4,26)(H,27,28)(H,30,31)(H
    ,32,33)(H2,23,25,34)/t13-
    ,14-/m0/s1;
    GMICYHSMDRPTBB-KBPBESRZSA-N    		 OC(=O)CC[C@H](NC(=O)NCC[C@H](NC(=O)CCNC(
    =O)c1ccc(I)cc1)C(O)=O)C(O)=O; c1cc(ccc1C
    (=O)NCCC(=O)NC(CCNC(=O)NC(CCC(=O)O)C(=O)
    O)C(=O)O)I; c1cc(ccc1C(=O)NCCC(=O)N[C@@H
    ](CCNC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O
    )I; OC(=O)CC[CH](NC(=O)NCC[CH](NC(=O)CCN
    C(=O)c1ccc(I)cc1)C(O)=O)C(O)=O    		 (2~{S})-2-[[(3~{S})-3-[3-[(4-iodophenyl)carbonylamino]propanoylamino]-4-oxidanyl-4-oxidanylidene-butyl]carbamoylamino]pentanedioic acid
    27282
    KS0
    CHEMBL4204455    		 1 C14 H19 F N2 O InChI=1S/C14H19FN2O/c1-2-
    14(18)17-9-7-16(8-10-17)1
    1-12-3-5-13(15)6-4-12/h3-
    6H,2,7-11H2,1H3;
    DFWHOCVEAQNIBM-UHFFFAOYSA-N    		 CCC(=O)N1CCN(CC1)Cc2ccc(cc2)F; CCC(=O)N1
    CCN(CC1)Cc2ccc(F)cc2; CCC(=O)N1CCN(Cc2cc
    c(F)cc2)CC1    		 1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one
    27283
    KS1
    CHEMBL1081312
    DB08052
    ZINC000020148984    		 9 C17 H17 N7 InChI=1S/C17H17N7/c18-15-
    13-14(11-7-10-5-6-19-16(1
    0)20-8-11)23-24(12-3-1-2-
    4-12)17(13)22-9-21-15/h5-
    9,12H,1-4H2,(H,19,20)(H2,
    18,21,22);
    NVRXTLZYXZNATH-UHFFFAOYSA-N    		 c1c[nH]c2c1cc(cn2)c3c4c(ncnc4n(n3)C5CCCC
    5)N; Nc1ncnc2n(nc(c3cnc4[nH]ccc4c3)c12)C
    5CCCC5; n1c(c2c(nc1)n(nc2c3cc4ccnc4nc3)C
    5CCCC5)N    		 1-cyclopentyl-3-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    27284
    KS2
    CHEMBL3237966
    ZINC000169311031    		 1 C15 H19 N3 O5 InChI=1S/C15H19N3O5/c1-7-
    2-4-8(5-3-7)14-16-15(18-1
    7-14)13-12(22)11(21)10(20
    )9(6-19)23-13/h2-5,9-13,1
    9-22H,6H2,1H3,(H,16,17,18
    )/t9-,10-,11+,12-,13-/m1/
    s1;
    YAGKTBWCGRXONX-UJPOAAIJSA-N    		 Cc1ccc(cc1)c2[nH]c(nn2)[CH]3O[CH](CO)[CH
    ](O)[CH](O)[CH]3O; Cc1ccc(cc1)c2[nH]c(nn
    2)C3C(C(C(C(O3)CO)O)O)O; Cc1ccc(cc1)c2[n
    H]c(nn2)[C@@H]3O[C@H](CO)[C@@H](O)[C@H](
    O)[C@H]3O; Cc1ccc(cc1)c2[nH]c(nn2)[C@H]3
    [C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O    		 (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
    27285
    KS3
    CHEMBL2408225
    ZINC000096273225    		 4 C18 H19 N3 O5 InChI=1S/C18H19N3O5/c22-8
    -12-13(23)14(24)15(25)16(
    26-12)18-19-17(20-21-18)1
    1-6-5-9-3-1-2-4-10(9)7-11
    /h1-7,12-16,22-25H,8H2,(H
    ,19,20,21)/t12-,13-,14+,1
    5-,16-/m1/s1;
    FJYFMJBUCUOYNH-IBEHDNSVSA-N    		 c1ccc2cc(ccc2c1)c3nc([nH]n3)C4C(C(C(C(O4
    )CO)O)O)O; c1ccc2cc(ccc2c1)c3nc([nH]n3)[
    C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O
    )O; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2
    [nH]nc(n2)c3ccc4ccccc4c3; OC[C@H]1O[C@H]
    ([C@H](O)[C@@H](O)[C@@H]1O)c2[nH]nc(n2)c
    3ccc4ccccc4c3    		 (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(3-naphthalen-2-yl-1~{H}-1,2,4-triazol-5-yl)oxane-3,4,5-triol
    27286
    KS4
    CHEMBL1233881
    DB08053
    ZINC000008581973    		 2 C17 H19 N5 O2 InChI=1S/C17H19N5O2/c1-23
    -12-7-6-10(8-13(12)24-2)1
    5-14-16(18)19-9-20-17(14)
    22(21-15)11-4-3-5-11/h6-9
    ,11H,3-5H2,1-2H3,(H2,18,1
    9,20);
    ITOYZJGFTNTKKR-UHFFFAOYSA-N    		 n1c(c2c(nc1)n(nc2c3ccc(OC)c(OC)c3)C4CCC4
    )N; COc1ccc(cc1OC)c2nn(C3CCC3)c4ncnc(N)c
    24; COc1ccc(cc1OC)c2c3c(ncnc3n(n2)C4CCC4
    )N    		 1-cyclobutyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    27287
    KS5
    CHEMBL1233882
    DB08054
    ZINC000020148983    		 1 C17 H16 N6 InChI=1S/C17H16N6/c1-10(2
    )23-17-14(16(18)20-9-21-1
    7)15(22-23)12-5-6-13-11(8
    -12)4-3-7-19-13/h3-10H,1-
    2H3,(H2,18,20,21);
    GEZALMMCQYDFML-UHFFFAOYSA-N    		 CC(C)n1nc(c2ccc3ncccc3c2)c4c(N)ncnc14; n
    1c(c2c(nc1)n(nc2c4cc3cccnc3cc4)C(C)C)N;
    CC(C)n1c2c(c(n1)c3ccc4c(c3)cccn4)c(ncn2)
    N    		 1-(1-methylethyl)-3-quinolin-6-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    27288
    KS6
    CHEMBL5095235    		 1 C22 H29 F N4 O2 InChI=1S/C22H29FN4O2/c1-1
    4-6-7-19(23)18-13-20(25-2
    1(14)18)22(29)24-16-4-3-5
    -17(12-16)27-10-8-26(9-11
    -27)15(2)28/h6-7,13,16-17
    ,25H,3-5,8-12H2,1-2H3,(H,
    24,29)/t16-,17+/m1/s1;
    PGNLXEBQMQHFNK-SJORKVTESA-N    		 Cc1ccc(c2c1[nH]c(c2)C(=O)NC3CCCC(C3)N4CC
    N(CC4)C(=O)C)F; CC(=O)N1CCN(CC1)[CH]2CCC
    [CH](C2)NC(=O)c3[nH]c4c(C)ccc(F)c4c3; Cc
    1ccc(c2c1[nH]c(c2)C(=O)N[C@@H]3CCC[C@@H]
    (C3)N4CCN(CC4)C(=O)C)F; CC(=O)N1CCN(CC1)
    [C@H]2CCC[C@H](C2)NC(=O)c3[nH]c4c(C)ccc(
    F)c4c3; Fc1ccc(C)c2[NH]c(cc12)C(=O)NC1CC
    (CCC1)N1CCN(CC1)C(C)=O    		 N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide
    27289
    KS7
    CHEMBL4791017    		 3 C25 H32 N6 O3 InChI=1S/C25H32N6O3/c1-18
    -13-20(5-8-26-18)30-9-6-2
    5(7-10-30)17-31(12-11-29(
    25)2)24-27-23(28-34-24)19
    -14-21(32-3)16-22(15-19)3
    3-4/h5,8,13-16H,6-7,9-12,
    17H2,1-4H3;
    NZYTZRHHBAJPKN-UHFFFAOYSA-N    		 COc1cc(cc(c1)OC)c5noc(N2CCN(C4(C2)CCN(c3
    cc(ncc3)C)CC4)C)n5; COc1cc(OC)cc(c1)c2no
    c(n2)N3CCN(C)C4(CCN(CC4)c5ccnc(C)c5)C3;
    Cc1cc(ccn1)N2CCC3(CC2)CN(CCN3C)c4nc(no4)
    c5cc(cc(c5)OC)OC    		 4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-methyl-9-(2-methylpyridin-4-yl)-1,4,9-triazaspiro[5.5]undecane
    27290
    KS8
    CHEMBL581
    DB14207
    ZINC000004213382    		 4 C23 H34 N O5 P InChI=1S/C23H34NO5P/c25-2
    2(17-30(28,29)14-8-7-11-1
    8-9-3-1-4-10-18)24-16-20(
    15-21(24)23(26)27)19-12-5
    -2-6-13-19/h1,3-4,9-10,19
    -21H,2,5-8,11-17H2,(H,26,
    27)(H,28,29)/t20-,21+/m1/
    s1;
    WOIWWYDXDVSWAZ-RTWAWAEBSA-N    		 c1ccc(cc1)CCCCP(=O)(CC(=O)N2C[C@@H](C[C@
    H]2C(=O)O)C3CCCCC3)O; OC(=O)[C@@H]1C[C@H
    ](CN1C(=O)C[P](O)(=O)CCCCc2ccccc2)C3CCCC
    C3; OC(=O)[CH]1C[CH](CN1C(=O)C[P](O)(=O)
    CCCCc2ccccc2)C3CCCCC3; c1ccc(cc1)CCCCP(=
    O)(CC(=O)N2CC(CC2C(=O)O)C3CCCCC3)O    		 fosinoprilat
    27291
    KS9    		 2 C15 H21 N O3 InChI=1S/C15H21NO3/c1-4-1
    1(2)14(12(3)17)16-15(18)1
    9-10-13-8-6-5-7-9-13/h5-9
    ,11,14H,4,10H2,1-3H3,(H,1
    6,18)/t11-,14-/m0/s1;
    TXYUIZZOGVQKQF-FZMZJTMJSA-N    		 CC[CH](C)[CH](NC(=O)OCc1ccccc1)C(C)=O; C
    C[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(C)=O;
    CCC(C)C(C(=O)C)NC(=O)OCc1ccccc1; CC[C@H]
    (C)[C@@H](C(=O)C)NC(=O)OCc1ccccc1    		 (phenylmethyl) N-[(3S,4S)-4-methyl-2-oxidanylidene-hexan-3-yl]carbamate;
    benzyl ((3S,4R)-1-chloro-4-methyl-2-oxohexan-3-yl)carb (reacted form of)
    27292
    KSA
    CHEMBL281948
    DB02152
    ZINC000003872984    		 7 C27 H21 N3 O5 InChI=1S/C27H21N3O5/c1-26
    -27(33,25(32)34-2)11-18(3
    5-26)29-16-9-5-3-7-13(16)
    20-21-15(12-28-24(21)31)1
    9-14-8-4-6-10-17(14)30(26
    )23(19)22(20)29/h3-10,18,
    33H,11-12H2,1-2H3,(H,28,3
    1)/t18-,26+,27+/m1/s1;
    KOZFSFOOLUUIGY-SOLYNIJKSA-N    		 C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6
    n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O; O=C
    5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7c
    cccc67)CC8(O)C(=O)OC)C; CC12C(CC(O1)n3c4
    ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(
    =O)OC)O; COC(=O)[C]1(O)C[CH]2O[C]1(C)n3c
    4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35; C
    OC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n3c4ccccc
    4c5c6CNC(=O)c6c7c8ccccc8n2c7c35    		 K-252A
    27293
    KSB    		 0 C39 H21 N13 Ru InChI=1S/C19H9N5.2C10H6N4
    .Ru/c20-10-11-5-6-14-15(9
    -11)24-19-13-4-2-8-22-17(
    13)16-12(18(19)23-14)3-1-
    7-21-16;2*1-2-8-10(14-6-4
    -12-8)9-7(1)11-3-5-13-9;/
    h1-9H;2*1-6H;/q;;;+6;
    HNFPSJMHTKCUIN-UHFFFAOYSA-N    		 c1cc2c3c(c4ccc[n+]5c4c2[n+](c1)[Ru]567([
    n+]8ccnc9c8c1[n+]6ccnc1cc9)[n+]1ccnc2c1c
    1[n+]7ccnc1cc2)nc1cc(ccc1n3)C#N; N#Cc1cc
    c2nc3c4ccc[n+]5c4c6c(ccc[n+]6[Ru]578([n+
    ]9ccnc%10ccc%11ncc[n+]7c%11c9%10)[n+]%12
    ccnc%13ccc%14ncc[n+]8c%14c%12%13)c3nc2c1    		 lambda-[Ru(tap2-dppz-CN)]2+;
    Cyano-derivative of Ruthenium-dipyridophenazine
    27294
    KSC
    ZINC000064744179    		 1 C19 H22 N6 O2 InChI=1S/C19H22N6O2/c1-11
    -9-15(21-10-12-3-4-12)25-
    19(22-11)16(17(20)26)18(2
    4-25)23-13-5-7-14(27-2)8-
    6-13/h5-9,12,21H,3-4,10H2
    ,1-2H3,(H2,20,26)(H,23,24
    );
    MQQLFCCVKCAWKZ-UHFFFAOYSA-N    		 Cc1cc(n2c(n1)c(c(n2)Nc3ccc(cc3)OC)C(=O)N
    )NCC4CC4; COc1ccc(Nc2nn3c(NCC4CC4)cc(C)n
    c3c2C(N)=O)cc1    		 7-[(cyclopropylmethyl)amino]-2-[(4-methoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
    27295
    KSD    		 2 C26 H29 N O5 InChI=1S/C26H29NO5/c1-17-
    20(11-8-12-22(17)19-9-6-5
    -7-10-19)16-32-21-13-24(3
    0-3)23(25(14-21)31-4)15-2
    7-18(2)26(28)29/h5-14,18,
    27H,15-16H2,1-4H3,(H,28,2
    9)/t18-/m1/s1;
    JAVOOZFIZRTIMB-GOSISDBHSA-N    		 COc1cc(OCc2cccc(c2C)c3ccccc3)cc(OC)c1CN[
    C@H](C)C(O)=O; Cc1c(cccc1c2ccccc2)COc3cc
    (c(c(c3)OC)CN[C@H](C)C(=O)O)OC; COc1cc(O
    Cc2cccc(c2C)c3ccccc3)cc(OC)c1CN[CH](C)C(
    O)=O; Cc1c(cccc1c2ccccc2)COc3cc(c(c(c3)O
    C)CNC(C)C(=O)O)OC; c3cc(COc1cc(OC)c(c(c1
    )OC)CNC(C(=O)O)C)c(C)c(c2ccccc2)c3    		 N-({2,6-dimethoxy-4-[(2-methyl[1,1'-biphenyl]-3-yl)methoxy]phenyl}methyl)-D-alanine
    27296
    KSE
    CHEMBL260114
    ZINC000029063390    		 1 C20 H27 N7 O3 InChI=1S/C20H27N7O3/c1-11
    -6-15(23-10-20(2,3)22)27-
    19(24-11)16(17(21)28)18(2
    6-27)25-12-7-13(29-4)9-14
    (8-12)30-5/h6-9,23H,10,22
    H2,1-5H3,(H2,21,28)(H,25,
    26);
    BMQFLKKGNQVSNN-UHFFFAOYSA-N    		 COc1cc(Nc2nn3c(NCC(C)(C)N)cc(C)nc3c2C(N)
    =O)cc(OC)c1; Cc1cc(n2c(n1)c(c(n2)Nc3cc(c
    c(c3)OC)OC)C(=O)N)NCC(C)(C)N    		 7-[(2-amino-2-methylpropyl)amino]-2-[(3,5-dimethoxyphenyl)amino]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
    27297
    KSF
    CHEMBL462228
    DB08055
    ZINC000039033939    		 1 C18 H13 Cl N4 InChI=1S/C18H13ClN4/c19-1
    4-8-4-5-9-15(14)22-18-17-
    10-20-12-23(17)16(11-21-1
    8)13-6-2-1-3-7-13/h1-12H,
    (H,21,22);
    NNBICZMPIJMWGC-UHFFFAOYSA-N    		 Clc1ccccc1Nc2ncc(n3cncc23)c4ccccc4; Clc1
    ccccc1Nc3ncc(n2c3cnc2)c4ccccc4; c1ccc(cc
    1)c2cnc(c3n2cnc3)Nc4ccccc4Cl    		 N-(2-chlorophenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
    27298
    KSG
    CHEMBL1631109
    ZINC000100042889    		 0 C14 H25 N3 O9 InChI=1S/C14H25N3O9/c1-3-
    5(17-12(16)13(23)24)2-4(1
    5)14(25-3)26-11-9(21)7(19
    )6(18)8(20)10(11)22/h3-11
    ,14,18-22H,2,15H2,1H3,(H2
    ,16,17)(H,23,24)/t3-,4+,5
    +,6-,7+,8+,9-,10+,11+,14-
    /m1/s1;
    PVTHJAPFENJVNC-MHRBZPPQSA-N    		 [H]/N=C(/C(=O)O)\N[C@H]1C[C@@H]([C@H](O[
    C@@H]1C)OC2[C@H]([C@H](C([C@@H]([C@H]2O)
    O)O)O)O)N; C[C@H]1O[C@H](O[C@@H]2[C@@H](
    O)[C@@H](O)[C@H](O)[C@H](O)[C@H]2O)[C@@H
    ](N)C[C@@H]1NC(=N)C(O)=O; [H]N=C(C(=O)O)
    NC1CC(C(OC1C)OC2C(C(C(C(C2O)O)O)O)O)N; O
    =C(O)C(=[N@H])NC2C(OC(OC1C(O)C(O)C(O)C(O
    )C1O)C(N)C2)C; C[CH]1O[CH](O[CH]2[CH](O)
    [CH](O)[CH](O)[CH](O)[CH]2O)[CH](N)C[CH]
    1NC(=N)C(O)=O    		 (1S,2R,3S,4R,5S,6S)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL 2-AMINO-4-{[CARBOXY(IMINO)METHYL]AMINO}-2,3,4,6-TETRADEOXY-ALPHA-D-ARABINO-HEXOPYRANOSIDE;
    KASUGAMYCIN
    27299
    KSH
    ZINC000058650390    		 1 C22 H28 N6 O4 InChI=1S/C22H28N6O4/c1-4-
    13-10-18(27-7-5-6-15(27)1
    2-29)28-22(25-13)19(20(23
    )30)21(26-28)24-14-8-16(3
    1-2)11-17(9-14)32-3/h8-11
    ,15,29H,4-7,12H2,1-3H3,(H
    2,23,30)(H,24,26)/t15-/m1
    /s1;
    ITADTXCJWWSRJO-OAHLLOKOSA-N    		 CCc1cc(N2CCC[C@@H]2CO)n3nc(Nc4cc(OC)cc(O
    C)c4)c(C(N)=O)c3n1; CCc1cc(n2c(n1)c(c(n2
    )Nc3cc(cc(c3)OC)OC)C(=O)N)N4CCCC4CO; CCc
    1cc(n2c(n1)c(c(n2)Nc3cc(cc(c3)OC)OC)C(=O
    )N)N4CCC[C@@H]4CO; CCc1cc(N2CCC[CH]2CO)n
    3nc(Nc4cc(OC)cc(OC)c4)c(C(N)=O)c3n1    		 2-[(3,5-dimethoxyphenyl)amino]-5-ethyl-7-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    27300
    KSI    		 1 C17 H25 Cl N2 O InChI=1S/C17H25ClN2O/c1-1
    3(2)9-17-12-19(14(3)21)7-
    8-20(17)11-15-5-4-6-16(18
    )10-15/h4-6,10,13,17H,7-9
    ,11-12H2,1-3H3/t17-/m0/s1;
    NQWZHKWPOKKPNU-KRWDZBQOSA-N    		 CC(C)C[C@H]1CN(CCN1Cc2cccc(c2)Cl)C(=O)C;
    CC(C)C[CH]1CN(CCN1Cc2cccc(Cl)c2)C(C)=O;
    CC(C)C[C@H]1CN(CCN1Cc2cccc(Cl)c2)C(C)=O
    ; CC(C)CC1CN(CCN1Cc2cccc(c2)Cl)C(=O)C; C
    C(C)CC1CN(CCN1Cc1cc(Cl)ccc1)C(C)=O    		 1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one
    27301
    KSJ    		 12 C14 H16 O4 InChI=1S/C14H16O4/c15-12-
    7-2-1-5-11(12)14(18)10-6-
    3-4-9(10)8-13(16)17/h1-2,
    5,7,9-10,15H,3-4,6,8H2,(H
    ,16,17)/t9-,10+/m0/s1;
    LULBZYDRYZGRST-VHSXEESVSA-N    		 OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccccc2O; C
    1(CCCC1CC(O)=O)C(c2ccccc2O)=O; c1ccc(c(c
    1)C(=O)[C@@H]2CCC[C@H]2CC(=O)O)O; OC(=O)
    C[CH]1CCC[CH]1C(=O)c2ccccc2O; c1ccc(c(c1
    )C(=O)C2CCCC2CC(=O)O)O    		 [(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
    27302
    KSK
    ZINC000006745353    		 1 C22 H29 N7 O3 InChI=1S/C22H29N7O3/c1-22
    (2,24)11-25-17-10-16(12-5
    -6-12)27-21-18(19(23)30)2
    0(28-29(17)21)26-13-7-14(
    31-3)9-15(8-13)32-4/h7-10
    ,12,25H,5-6,11,24H2,1-4H3
    ,(H2,23,30)(H,26,28);
    XNYWWKRLFGHJRZ-UHFFFAOYSA-N    		 COc1cc(Nc2nn3c(NCC(C)(C)N)cc(nc3c2C(N)=O
    )C4CC4)cc(OC)c1; CC(C)(CNc1cc(nc2n1nc(c2
    C(=O)N)Nc3cc(cc(c3)OC)OC)C4CC4)N    		 7-[(2-amino-2-methylpropyl)amino]-5-cyclopropyl-2-[(3,5-dimethoxyphenyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
    27303
    KSL
    CHEMBL223873
    DB08056    		 1 C20 H18 N4 InChI=1S/C20H18N4/c1-14-7
    -6-8-15(2)19(14)23-20-18-
    11-21-13-24(18)17(12-22-2
    0)16-9-4-3-5-10-16/h3-13H
    ,1-2H3,(H,22,23);
    KKYYLKPGILUPOA-UHFFFAOYSA-N    		 n2cc(n1c(cnc1)c2Nc3c(cccc3C)C)c4ccccc4;
    Cc1cccc(c1Nc2c3cncn3c(cn2)c4ccccc4)C; Cc
    1cccc(C)c1Nc2ncc(n3cncc23)c4ccccc4    		 N-(2,6-dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
    27304
    KSM
    DB08057
    ZINC000039033598    		 1 C22 H23 Cl N6 InChI=1S/C22H23ClN6/c1-14
    -4-3-5-17(23)21(14)27-22-
    20-11-24-13-29(20)19-10-1
    6(6-7-18(19)26-22)28-9-8-
    25-15(2)12-28/h3-7,10-11,
    13,15,25H,8-9,12H2,1-2H3,
    (H,26,27)/t15-/m0/s1;
    VWJPPYCULHDHBB-HNNXBMFYSA-N    		 Cc1cccc(c1Nc2c3cncn3c4cc(ccc4n2)N5CCNC(C
    5)C)Cl; C[CH]1CN(CCN1)c2ccc3nc(Nc4c(C)cc
    cc4Cl)c5cncn5c3c2; Cc1cccc(c1Nc2c3cncn3c
    4cc(ccc4n2)N5CCN[C@H](C5)C)Cl; C[C@H]1CN
    (CCN1)c2ccc3nc(Nc4c(C)cccc4Cl)c5cncn5c3c
    2; Clc1cccc(c1Nc4nc2c(cc(cc2)N3CC(NCC3)C
    )n5c4cnc5)C    		 N-(2-chloro-6-methylphenyl)-8-[(3S)-3-methylpiperazin-1-yl]imidazo[1,5-a]quinoxalin-4-amine
    27305
    KSN
    ZINC000002242694    		 1 C10 H16 N2 O7 InChI=1S/C10H16N2O7/c11-5
    (9(16)17)1-3-7(13)12-6(10
    (18)19)2-4-8(14)15/h5-6H,
    1-4,11H2,(H,12,13)(H,14,1
    5)(H,16,17)(H,18,19)/t5-,
    6-/m0/s1;
    OWQDWQKWSLFFFR-WDSKDSINSA-N    		 N[CH](CCC(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=
    O; N[C@@H](CCC(=O)N[C@@H](CCC(O)=O)C(O)=
    O)C(O)=O; C(CC(=O)NC(CCC(=O)O)C(=O)O)C(C
    (=O)O)N; C(CC(=O)N[C@@H](CCC(=O)O)C(=O)O
    )[C@@H](C(=O)O)N    		 (2~{S})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]pentanedioic acid
    27306
    KSP    		 12 C14 H16 O4 InChI=1S/C14H16O4/c15-12-
    7-2-1-5-11(12)14(18)10-6-
    3-4-9(10)8-13(16)17/h1-2,
    5,7,9-10,15H,3-4,6,8H2,(H
    ,16,17)/t9-,10+/m1/s1;
    LULBZYDRYZGRST-ZJUUUORDSA-N    		 OC(=O)C[C@H]1CCC[C@@H]1C(=O)c2ccccc2O; O
    C(=O)C[CH]1CCC[CH]1C(=O)c2ccccc2O; c1ccc
    c(c1O)C(C2C(CCC2)CC(O)=O)=O; c1ccc(c(c1)
    C(=O)[C@H]2CCC[C@@H]2CC(=O)O)O; c1ccc(c(
    c1)C(=O)C2CCCC2CC(=O)O)O    		 [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid
    27307
    KSR
    CHEMBL1233887
    ZINC000001491344    		 1 C16 H14 N4 O InChI=1S/C16H14N4O/c1-20-
    9-12(11-7-10(21-2)3-4-15(
    11)20)13-8-14-16(19-13)18
    -6-5-17-14/h3-9H,1-2H3,(H
    ,18,19);
    MIJMZVTYIXYSDK-UHFFFAOYSA-N    		 COc1ccc2n(C)cc(c3[nH]c4nccnc4c3)c2c1; Cn
    1cc(c2c1ccc(c2)OC)c3cc4c([nH]3)nccn4    		 6-(5-methoxy-1-methyl-1H-indol-3-yl)-5H-pyrrolo[2,3-b]pyrazine
    27308
    KSS
    ZINC000000009125    		 1 C16 H17 N3 O2 S InChI=1S/C16H17N3O2S/c1-4
    -22-16-18-12(10-15-17-7-8
    -19(15)16)11-5-6-13(20-2)
    14(9-11)21-3/h5-10H,4H2,1
    -3H3;
    VCAREOFNIBYKAE-UHFFFAOYSA-N    		 CCSc1nc(cc2nccn12)c3ccc(OC)c(OC)c3; CCSc
    1nc(cc2n1ccn2)c3ccc(c(c3)OC)OC    		 7-(3,4-dimethoxyphenyl)-5-(ethylsulfanyl)imidazo[1,2-c]pyrimidine
    27309
    KST
    ZINC000058638954    		 0 C11 H16 N2 O4 S InChI=1S/C11H16N2O4S/c12-
    8(10(14)15)3-1-2-4-13-7-5
    -9(11(16)17)18-6-7/h5-6,8
    ,13H,1-4,12H2,(H,14,15)(H
    ,16,17)/t8-/m0/s1;
    LWCMSOOFWFXQDZ-QMMMGPOBSA-N    		 c1c(csc1C(=O)O)NCCCC[C@@H](C(=O)O)N; N[C
    H](CCCCNc1csc(c1)C(O)=O)C(O)=O; O=C(O)C(
    N)CCCCNc1cc(sc1)C(=O)O; c1c(csc1C(=O)O)N
    CCCCC(C(=O)O)N; N[C@@H](CCCCNc1csc(c1)C(
    O)=O)C(O)=O    		 N~6~-(5-CARBOXY-3-THIENYL)-L-LYSINE
    27310
    KSU
    CHEMBL579013
    ZINC000000368993    		 2 C10 H9 N O2 InChI=1S/C10H9NO2/c12-9-6
    -7-10(13)11(9)8-4-2-1-3-5
    -8/h1-5H,6-7H2;
    ZTUKZULGOCFJET-UHFFFAOYSA-N    		 O=C1CCC(=O)N1c2ccccc2; c1ccc(cc1)N2C(=O)
    CCC2=O    		 1-phenylpyrrolidine-2,5-dione;
    N-Phenylmaleimide (reacted form of)
    27311
    KSV    		 108 C5 H13 O6 P InChI=1S/C5H13O6P/c1-2-10
    -12(8,9)11-4-5(7)3-6/h5-7
    H,2-4H2,1H3,(H,8,9)/t5-/m
    1/s1;
    DXARXEBAXKHIOU-RXMQYKEDSA-N    		 CCOP(=O)(O)OC[C@@H](CO)O; CCO[P](O)(=O)O
    C[C@H](O)CO; C(C)OP(=O)(OCC(CO)O)O; CCOP
    (=O)(O)OCC(CO)O; CCO[P](O)(=O)OC[CH](O)C
    O    		 (2R)-2,3-dihydroxypropyl ethyl hydrogen (S)-phosphate
    27312
    KSW    		 3 C6 H6 O InChI=1S/C6H6O/c1-5-3-2-4
    -6(5)7/h2-4H,1H3;
    LYYZLRGLZHSYLN-UHFFFAOYSA-N    		 CC1=CC=CC1=O 2-methylcyclopenta-2,4-dien-1-one
    27313
    KSX    		 1 C14 H12 N4 O InChI=1S/C14H12N4O/c1-10-
    2-3-16-9-13(10)18-14(19)5
    -11-4-12(6-15)8-17-7-11/h
    2-4,7-9H,5H2,1H3,(H,18,19
    );
    MAYMKKDCBJTHBQ-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)Cc1cc(C#N)cnc1; Cc1ccncc1
    NC(=O)Cc2cc(cnc2)C#N; Cc1ccncc1NC(=O)Cc2
    cncc(c2)C#N    		 2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide
    27314
    KSY    		 21 C17 H16 N2 O3 InChI=1S/C17H16N2O3/c20-1
    2-6-1-4-11(10-12)5-3-9-18
    -14-8-2-7-13-15(14)17(22)
    19-16(13)21/h1-2,4,6-8,10
    ,18,20H,3,5,9H2,(H,19,21,
    22);
    FOSBKXYPBTUPHU-UHFFFAOYSA-N    		 c1cc(cc(c1)O)CCCNc2cccc3c2C(=O)NC3=O; c2
    1C(=O)NC(c1c(ccc2)NCCCc3cccc(O)c3)=O; Oc
    1cccc(CCCNc2cccc3C(=O)NC(=O)c23)c1    		 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
    27315
    KSZ    		 1 C28 H33 Cl N6 O4 InChI=1S/C28H33ClN6O4/c1-
    17-33-34-26-22(16-24(36)3
    0-13-6-14-31-27(37)39-28(
    2,3)4)32-25(18-7-9-19(29)
    10-8-18)21-15-20(38-5)11-
    12-23(21)35(17)26/h7-12,1
    5,22H,6,13-14,16H2,1-5H3,
    (H,30,36)(H,31,37)/t22-/m
    0/s1;
    VWFMCFRXMUQNOU-QFIPXVFZSA-N    		 COc1ccc2n3c(C)nnc3[C@H](CC(=O)NCCCNC(=O)
    OC(C)(C)C)N=C(c4ccc(Cl)cc4)c2c1; Cc1nnc2
    n1-c3ccc(cc3C(=N[C@H]2CC(=O)NCCCNC(=O)OC
    (C)(C)C)c4ccc(cc4)Cl)OC; Cc1nnc2n1-c3ccc
    (cc3C(=NC2CC(=O)NCCCNC(=O)OC(C)(C)C)c4cc
    c(cc4)Cl)OC; COc1ccc2n3c(C)nnc3[CH](CC(=
    O)NCCCNC(=O)OC(C)(C)C)N=C(c4ccc(Cl)cc4)c
    2c1    		 ~{tert}-butyl ~{N}-[3-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]propyl]carbamate
    27316
    KT0
    CHEMBL371502
    ZINC000028567519    		 3 C17 H18 N6 O8 S InChI=1S/C17H18N6O8S/c18-
    14-11-15(20-6-19-14)23(7-
    21-11)17-13(26)12(25)10(3
    1-17)5-30-32(28,29)22-16(
    27)8-3-1-2-4-9(8)24/h1-4,
    6-7,10,12-13,17,24-26H,5H
    2,(H,22,27)(H2,18,19,20)/
    t10-,12-,13-,17-/m1/s1;
    SABYITLYKSVAAD-CNEMSGBDSA-N    		 c1ccc(c(c1)C(=O)NS(=O)(=O)OCC2C(C(C(O2)n
    3cnc4c3ncnc4N)O)O)O; Nc1ncnc2n(cnc12)[CH
    ]3O[CH](CO[S](=O)(=O)NC(=O)c4ccccc4O)[CH
    ](O)[CH]3O; Oc1ccccc1C(=O)NS(=O)(=O)OCC1
    OC(n2cnc3c(N)ncnc32)C(O)C1O; c1ccc(c(c1)
    C(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]([C@@
    H](O2)n3cnc4c3ncnc4N)O)O)O; Nc1ncnc2n(cn
    c12)[C@@H]3O[C@H](CO[S](=O)(=O)NC(=O)c4c
    cccc4O)[C@@H](O)[C@H]3O    		 5'-O-[(2-hydroxybenzoyl)sulfamoyl]adenosine
    27317
    KT1    		 20 C18 H18 N2 O4 InChI=1S/C18H18N2O4/c1-24
    -15-10-12(21)8-7-11(15)4-
    3-9-19-14-6-2-5-13-16(14)
    18(23)20-17(13)22/h2,5-8,
    10,19,21H,3-4,9H2,1H3,(H,
    20,22,23);
    MCHANSUEWHRRRQ-UHFFFAOYSA-N    		 c2cc1C(=O)NC(c1c(c2)NCCCc3c(OC)cc(cc3)O)
    =O; COc1cc(O)ccc1CCCNc2cccc3C(=O)NC(=O)c
    23; COc1cc(ccc1CCCNc2cccc3c2C(=O)NC3=O)O    		 4-{[3-(4-hydroxy-2-methoxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
    27318
    KT2
    CHEMBL4578839    		 2 C21 H25 N9 O13 P2 InChI=1S/C21H25N9O13P2/c2
    2-15-7-1-2-29(16(7)25-5-2
    4-15)19-12(32)13-9(41-19)
    4-39-45(36,37)43-14-11(31
    )8(3-38-44(34,35)42-13)40
    -20(14)30-6-26-10-17(30)2
    7-21(23)28-18(10)33/h1-2,
    5-6,8-9,11-14,19-20,31-32
    H,3-4H2,(H,34,35)(H,36,37
    )(H2,22,24,25)(H3,23,27,2
    8,33)/t8-,9-,11-,12-,13-,
    14-,19-,20-/m1/s1;
    UTYHBKZTJXGVRM-NFASUMMFSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)
    (=O)O[CH]5[CH](O)[CH](O[CH]5CO[P](O)(=O)
    O[CH]3[CH]4O)n6ccc7c(N)ncnc67; c1cn(c2c1
    c(ncn2)N)C3C(C4C(O3)COP(=O)(OC5C(C(COP(=
    O)(O4)O)OC5n6cnc7c6N=C(NC7=O)N)O)O)O; c1
    cn(c2c1c(ncn2)N)[C@H]3[C@@H]([C@H]4[C@H]
    (O3)COP(=O)(O[C@@H]5[C@@H]([C@@H](COP(=O
    )(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)N)O)O)O;
    NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[
    P](O)(=O)O[C@H]5[C@@H](O)[C@@H](O[C@@H]5
    CO[P](O)(=O)O[C@@H]3[C@@H]4O)n6ccc7c(N)n
    cnc67    		 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{S},15~{R},17~{R},18~{R})-8-(4-azanylpyrrolo[2,3-d]pyrimidin-7-yl)-3,9,12,18-tetrakis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.2.1.0^{6,10}]octadecan-17-yl]-1~{H}-purin-6-one
    27319
    KT3    		 2 C32 H40 F3 N7 O14 InChI=1S/C32H40F3N7O14/c3
    3-32(34,35)31(55,56)17(3-
    1-2-16-24(36)41-30(37)42-
    26(16)48)14-4-6-15(7-5-14
    )25(47)40-20(29(53)54)9-1
    2-22(44)38-18(27(49)50)8-
    11-21(43)39-19(28(51)52)1
    0-13-23(45)46/h4-7,17-20,
    55-56H,1-3,8-13H2,(H,38,4
    4)(H,39,43)(H,40,47)(H,45
    ,46)(H,49,50)(H,51,52)(H,
    53,54)(H5,36,37,41,42,48)
    /t17-,18?,19?,20-/m0/s1;
    DJAOVLPLLJHHPY-FVELJTHGSA-N    		 c1cc(ccc1C(CCCc2c(nc(nc2O)N)N)C(C(F)(F)F
    )(O)O)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O
    )O)C(=O)O)C(=O)O)C(=O)O; O=C(O)C(NC(=O)C
    CC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(c
    c1)C(C(O)(O)C(F)(F)F)CCCc2c(O)nc(nc2N)N)
    CCC(=O)O; Nc1nc(N)c(CCC[CH](c2ccc(cc2)C(
    =O)N[CH](CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(
    O)=O)C(O)=O)C(O)=O)C(O)(O)C(F)(F)F)c(O)n
    1; c1cc(ccc1[C@H](CCCc2c(nc(nc2O)N)N)C(C
    (F)(F)F)(O)O)C(=O)N[C@@H](CCC(=O)N[C@H](
    CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=
    O)O; Nc1nc(N)c(CCC[C@@H](c2ccc(cc2)C(=O)
    N[C@@H](CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O
    )=O)C(O)=O)C(O)=O)C(O)(O)C(F)(F)F)c(O)n1    		 N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID
    27320
    KT4    		 18 C17 H16 N2 O4 InChI=1S/C17H16N2O4/c20-1
    1-7-6-10(14(21)9-11)3-2-8
    -18-13-5-1-4-12-15(13)17(
    23)19-16(12)22/h1,4-7,9,1
    8,20-21H,2-3,8H2,(H,19,22
    ,23);
    VXZFLUMBYFLMPU-UHFFFAOYSA-N    		 C1(=O)c2c(C(N1)=O)c(ccc2)NCCCc3ccc(cc3O)
    O; Oc1ccc(CCCNc2cccc3C(=O)NC(=O)c23)c(O)
    c1; c1cc2c(c(c1)NCCCc3ccc(cc3O)O)C(=O)NC
    2=O    		 4-{[3-(2,4-dihydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
    27321
    KT5    		 6 C42 H54 F3 N9 O20 InChI=1S/C42H54F3N9O20/c4
    3-42(44,45)41(73,74)21(3-
    1-2-20-32(46)53-40(47)54-
    34(20)62)18-4-6-19(7-5-18
    )33(61)52-26(39(71)72)11-
    16-30(58)50-24(37(67)68)9
    -14-28(56)48-22(35(63)64)
    8-13-27(55)49-23(36(65)66
    )10-15-29(57)51-25(38(69)
    70)12-17-31(59)60/h4-7,21
    -26,73-74H,1-3,8-17H2,(H,
    48,56)(H,49,55)(H,50,58)(
    H,51,57)(H,52,61)(H,59,60
    )(H,63,64)(H,65,66)(H,67,
    68)(H,69,70)(H,71,72)(H5,
    46,47,53,54,62)/t21-,22?,
    23?,24?,25?,26-/m0/s1;
    IWEGOVKIJZGOSL-RCZRCYCLSA-N    		 O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)
    O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=
    O)c1ccc(cc1)C(C(O)(O)C(F)(F)F)CCCc2c(O)n
    c(nc2N)N)CCC(=O)O; c1cc(ccc1C(CCCc2c(nc(
    nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)NC(CCC(=O)
    NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)
    O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O; Nc
    1nc(N)c(CCC[CH](c2ccc(cc2)C(=O)N[CH](CCC
    (=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC
    (O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
    )C(O)(O)C(F)(F)F)c(O)n1; Nc1nc(N)c(CCC[C
    @@H](c2ccc(cc2)C(=O)N[C@@H](CCC(=O)NC(CC
    C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(O)=O)C(O
    )=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)(O)C
    (F)(F)F)c(O)n1; c1cc(ccc1[C@H](CCCc2c(nc
    (nc2O)N)N)C(C(F)(F)F)(O)O)C(=O)N[C@@H](C
    CC(=O)N[C@H](CCC(=O)N[C@H](CCC(=O)N[C@H]
    (CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(
    =O)O)C(=O)O)C(=O)O    		 N-{4-4-(2,4-DIAMINO-6-OXO-1,6-DIHYDRO-PYRIMIDIN-5-YL)-1-(2,2,2-TRIFLUORO-1,1-DIHYDROXY-ETHYL)-BUT-2-YL-BENZOYL}-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GAMMA-GLUTAMYL-GLUTAMIC ACID
    27322
    KT6    		 2 C9 H9 Cl2 N O2 S InChI=1S/C9H9Cl2NO2S/c10-
    6-3-5(8(15)4-7(6)11)9(14)
    12-1-2-13/h3-4,13,15H,1-2
    H2,(H,12,14);
    QAWZKMJXXMSMKK-UHFFFAOYSA-N    		 c1c(c(cc(c1Cl)Cl)S)C(=O)NCCO; OCCNC(=O)c
    1cc(Cl)c(Cl)cc1S    		 4,5-bis(chloranyl)-N-(2-hydroxyethyl)-2-sulfanyl-benzamide;
    5,6-Dichloro-2-(2-hydroxyethyl)-1,2-benzisothiazol-3-one (reacted form of)
    27323
    KT7
    ZINC000039017409    		 3 C8 H5 N O3 InChI=1S/C8H5NO3/c10-4-1-
    2-5-6(3-4)8(12)9-7(5)11/h
    1-3,10H,(H,9,11,12);
    NHXFINXXELODNV-UHFFFAOYSA-N    		 Oc1ccc2C(=O)NC(=O)c2c1; c1cc2c(cc1O)C(=O
    )NC2=O; c1c(ccc2C(NC(c12)=O)=O)O    		 5-hydroxy-1H-isoindole-1,3(2H)-dione
    27324
    KT8
    CHEMBL4577528    		 1 C20 H23 F N10 O12 P2 InChI=1S/C20H23FN10O12P2/
    c21-8-12-7(41-18(8)30-4-2
    6-9-14(22)24-3-25-15(9)30
    )2-39-45(36,37)43-13-11(3
    2)6(1-38-44(34,35)42-12)4
    0-19(13)31-5-27-10-16(31)
    28-20(23)29-17(10)33/h3-8
    ,11-13,18-19,32H,1-2H2,(H
    ,34,35)(H,36,37)(H2,22,24
    ,25)(H3,23,28,29,33)/t6-,
    7-,8-,11-,12-,13-,18-,19-
    /m1/s1;
    VSWSFOHKUMIXAS-XBNNLADJSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(OC5
    C(C(COP(=O)(O4)O)OC5n6cnc7c6N=C(NC7=O)N)
    O)O)F)N; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C
    @@H]4CO[P](O)(=O)O[C@H]5[C@@H](F)[C@@H](
    O[C@@H]5CO[P](O)(=O)O[C@@H]3[C@@H]4O)n6c
    nc7c(N)ncnc67; NC1=Nc2n(cnc2C(=O)N1)[CH]
    3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[C
    H]5CO[P](O)(=O)O[CH]3[CH]4O)n6cnc7c(N)nc
    nc67; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@
    H]4[C@H](O3)COP(=O)(O[C@@H]5[C@@H]([C@@H
    ](COP(=O)(O4)O)O[C@H]5n6cnc7c6N=C(NC7=O)
    N)O)O)F)N    		 2'3'-cyclic-GMP-2'F-2'dAMP
    27325
    KT9    		 1 C16 H16 N4 O3 InChI=1S/C16H16N4O3/c1-10
    -2-12(5-13(3-10)23-16-6-1
    5(22)20-16)19-14(21)4-11-
    7-17-9-18-8-11/h2-3,5,7-9
    ,16H,4,6H2,1H3,(H,19,21)(
    H,20,22)/t16-/m0/s1;
    BBXRTGNKDKIMPV-INIZCTEOSA-N    		 Cc1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cncnc3;
    Cc1cc(cc(c1)O[C@H]2CC(=O)N2)NC(=O)Cc3cn
    cnc3; Cc1cc(NC(=O)Cc2cncnc2)cc(O[CH]3CC(
    =O)N3)c1; Cc1cc(NC(=O)Cc2cncnc2)cc(O[C@H
    ]3CC(=O)N3)c1; Cc1cc(cc(OC2CC(=O)N2)c1)N
    C(=O)Cc1cncnc1    		 N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
    27326
    KTA
    ZINC000004181834    		 2 C8 H12 O3 InChI=1S/C8H12O3/c9-7-3-1
    -2-6(4-7)5-8(10)11/h6H,1-
    5H2,(H,10,11)/t6-/m0/s1;
    RYTWPAUCABOYJP-LURJTMIESA-N    		 C1C[C@@H](CC(=O)C1)CC(=O)O; C1CC(CC(=O)C
    1)CC(=O)O; OC(=O)C[CH]1CCCC(=O)C1; O=C(O
    )CC1CC(=O)CCC1; OC(=O)C[C@H]1CCCC(=O)C1    		 (S)-CYCLOHEXANONE-2-ACETATE
    27327
    KTB    		 0 C23 H39 N O20 InChI=1S/C23H39NO20/c25-2
    -7(30)12(32)18-11(24-10(3
    1)5-28)6(29)1-23(43-18,22
    (38)39)44-19-13(33)8(3-26
    )41-21(16(19)36)42-17-9(4
    -27)40-20(37)15(35)14(17)
    34/h6-9,11-21,25-30,32-37
    H,1-5H2,(H,24,31)(H,38,39
    )/t6-,7+,8+,9+,11+,12+,13
    -,14+,15+,16+,17+,18+,19-
    ,20+,21-,23-/m0/s1;
    FGYWXADXUBZTCC-RRDLSPBXSA-N    		 C1[C@@H]([C@H]([C@@H](O[C@]1(C(=O)O)O[C@
    H]2[C@H]([C@H](O[C@H]([C@@H]2O)O[C@@H]3[
    C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)[
    C@@H]([C@@H](CO)O)O)NC(=O)CO)O; C1C(C(C(
    OC1(C(=O)O)OC2C(C(OC(C2O)OC3C(OC(C(C3O)O
    )O)CO)CO)O)C(C(CO)O)O)NC(=O)CO)O; OC[CH]
    (O)[CH](O)[CH]1O[C](C[CH](O)[CH]1NC(=O)C
    O)(O[CH]2[CH](O)[CH](CO)O[CH](O[CH]3[CH]
    (O)[CH](O)[CH](O)O[CH]3CO)[CH]2O)C(O)=O;
    OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](C[C@H
    ](O)[C@H]1NC(=O)CO)(O[C@H]2[C@@H](O)[C@@
    H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C
    @H](O)O[C@@H]3CO)[C@@H]2O)C(O)=O    		 NeuGc GM3
    27328
    KTC
    CHEMBL1994343    		 4 C18 H34 O3 InChI=1S/C18H34O3/c1-2-3-
    4-5-8-11-14-17(19)15-12-9
    -6-7-10-13-16-18(20)21/h2
    -16H2,1H3,(H,20,21);
    BGKROBBCCGUUCF-UHFFFAOYSA-N    		 CCCCCCCCC(=O)CCCCCCCCC(=O)O; CCCCCCCCC(=
    O)CCCCCCCCC(O)=O; O=C(O)CCCCCCCCC(=O)CCC
    CCCCC    		 10-oxooctadecanoic acid
    27329
    KTD
    CHEMBL2325183
    ZINC000095580884    		 1 C15 H12 N4 O2 S InChI=1S/C15H12N4O2S/c20-
    13(10-4-2-1-3-5-10)9-16-1
    5(21)17-11-6-7-12-14(8-11
    )22-19-18-12/h1-8H,9H2,(H
    2,16,17,21);
    PKHSKYFMULMNOC-UHFFFAOYSA-N    		 O=C(NCC(=O)c1ccccc1)Nc2ccc3nnsc3c2; O=C(
    c1ccccc1)CNC(=O)Nc2ccc3nnsc3c2; c1ccc(cc
    1)C(=O)CNC(=O)Nc2ccc3c(c2)snn3    		 1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxo-2-phenylethyl)urea
    27330
    KTE    		 2 C10 H20 O9 InChI=1S/C10H20O9/c11-1-5
    (14)6(15)3-18-10(4-13)9(1
    7)8(16)7(2-12)19-10/h5-9,
    11-17H,1-4H2/t5-,6+,7+,8+
    ,9-,10+/m0/s1;
    CPODZCVBMHISBV-NSTDSTDXSA-N    		 C(C1C(C(C(O1)(CO)OCC(C(CO)O)O)O)O)O; C([
    C@@H]1[C@H]([C@@H]([C@](O1)(CO)OC[C@H]([
    C@H](CO)O)O)O)O)O; OC[CH](O)[CH](O)CO[C]
    1(CO)O[CH](CO)[CH](O)[CH]1O; OC[C@H](O)[
    C@H](O)CO[C@]1(CO)O[C@H](CO)[C@@H](O)[C@
    @H]1O    		 (2~{S},3~{R})-4-[(2~{R},3~{S},4~{S},5~{R})-2,5-bis(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]oxybutane-1,2,3-triol
    27331
    KTF    		 2 C24 H25 N5 O2 InChI=1S/C24H25N5O2/c25-1
    3-16-10-11-28(15-16)24(31
    )20-14-26-29-22(30)12-21(
    27-23(20)29)19-8-6-18(7-9
    -19)17-4-2-1-3-5-17/h6-9,
    12,14,16-17,27H,1-5,10-11
    ,15H2/t16-/m0/s1;
    DGPFXAYXGFCGMH-INIZCTEOSA-N    		 N#CC1CCN(C1)C(=O)c1cnn2C(=O)C=C(Nc12)c1c
    cc(cc1)C1CCCCC1; O=C1C=C(Nc2n1ncc2C(=O)N
    3CC[CH](C3)C#N)c4ccc(cc4)C5CCCCC5; O=C1C
    =C(Nc2n1ncc2C(=O)N3CC[C@H](C3)C#N)c4ccc(
    cc4)C5CCCCC5; c1cc(ccc1C2CCCCC2)C3=CC(=O
    )n4c(c(cn4)C(=O)N5CCC(C5)C#N)N3; c1cc(cc
    c1C2CCCCC2)C3=CC(=O)n4c(c(cn4)C(=O)N5CC[
    C@H](C5)C#N)N3    		 (3R)-1-[(8S)-5-(4-cyclohexylphenyl)-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonyl]pyrrolidine-3-carbonitrile
    27332
    KTG    		 20 C17 H16 N2 O3 InChI=1S/C17H16N2O3/c20-1
    2-8-6-11(7-9-12)3-2-10-18
    -14-5-1-4-13-15(14)17(22)
    19-16(13)21/h1,4-9,18,20H
    ,2-3,10H2,(H,19,21,22);
    ZVCRTIXCBWXHPP-UHFFFAOYSA-N    		 C(CCNc2cccc1C(=O)NC(c12)=O)c3ccc(cc3)O;
    c1cc2c(c(c1)NCCCc3ccc(cc3)O)C(=O)NC2=O;
    Oc1ccc(CCCNc2cccc3C(=O)NC(=O)c23)cc1    		 4-{[3-(4-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
    27333
    KTH    		 0 C4 H3 N O S InChI=1S/C4H3NOS/c6-3-4-5
    -1-2-7-4/h1-3H;
    ZGTFNNUASMWGTM-UHFFFAOYSA-N    		 O=Cc1sccn1; O=Cc1nccs1; c1csc(n1)C=O 2-KETOTHIAZOLE
    27334
    KTI    		 1 C16 H14 Cl2 N2 O4 S InChI=1S/C16H14Cl2N2O4S/c
    1-24-12-6-7-15(19-9-12)20
    -16(21)8-14(18)25(22,23)1
    0-11-4-2-3-5-13(11)17/h2-
    9H,10H2,1H3,(H,19,20,21)/
    b14-8-;
    BHUCHFWWYNHHHM-ZSOIEALJSA-N    		 COc1ccc(nc1)NC(=O)/C=C(\S(=O)(=O)Cc2cccc
    c2Cl)/Cl; COc1ccc(NC(=O)\C=C(Cl)/[S](=O)
    (=O)Cc2ccccc2Cl)nc1; COc1ccc(NC(=O)C=C(C
    l)[S](=O)(=O)Cc2ccccc2Cl)nc1; COc1ccc(nc
    1)NC(=O)C=C(S(=O)(=O)Cc2ccccc2Cl)Cl    		 (E)-3-chloranyl-3-[(2-chlorophenyl)methylsulfonyl]-N-(5-methoxypyridin-2-yl)prop-2-enamide;
    (E)-2,3-dichloro-3-[(2-chlorophenyl)methylsulfonyl]-N-(6-methoxypyridin-2-yl)prop-2-enamide (reacted form of)
    27335
    KTJ
    CHEMBL3806058    		 1 C9 H9 N3 O InChI=1S/C9H9N3O/c10-9-8(
    5-11-12-9)6-1-3-7(13)4-2-
    6/h1-5,13H,(H3,10,11,12);
    WRERTDQKTDJJIZ-UHFFFAOYSA-N    		 Nc1n[nH]cc1c2ccc(O)cc2; n2c(N)c(c1ccc(O)
    cc1)cn2; c1cc(ccc1c2c[nH]nc2N)O    		 4-(3-amino-1H-pyrazol-4-yl)phenol
    27336
    KTK
    CHEMBL3805955
    ZINC000095920745    		 2 C15 H13 N3 O3 InChI=1S/C15H13N3O3/c16-1
    5-13(8-1-3-9(19)4-2-8)14(
    17-18-15)11-6-5-10(20)7-1
    2(11)21/h1-7,19-21H,(H3,1
    6,17,18);
    QJXCNANYVSBOBZ-UHFFFAOYSA-N    		 Nc1n[nH]c(c2ccc(O)cc2O)c1c3ccc(O)cc3; c1
    cc(ccc1c2c([nH]nc2N)c3ccc(cc3O)O)O; Oc3c
    cc(c2c(c1ccc(O)cc1)c(nn2)N)c(O)c3    		 4-[3-amino-4-(4-hydroxyphenyl)-1H-pyrazol-5-yl]benzene-1,3-diol
    27337
    KTL    		 3 C12 H24 O12 S2 InChI=1S/C12H24O12S2/c13-
    1-5(15)10(19)11(20)12(24-
    26(21,22)23)7(17)4-25-3-6
    (16)9(18)8(25)2-14/h5-20H
    ,1-4H2/t5-,6+,7+,8+,9-,10
    +,11+,12+,25-/m0/s1;
    OMKXVFDVAGCPBS-QTIKZJLFSA-N    		 C1C(C(C([S+]1CC(C(C(C(C(CO)O)O)O)OS(=O)(
    =O)[O-])O)CO)O)O; C1[C@H]([C@@H]([C@H]([
    S@@+]1C[C@H]([C@H]([C@@H]([C@@H]([C@H](C
    O)O)O)O)OS(=O)(=O)[O-])O)CO)O)O; OC[CH](
    O)[CH](O)[CH](O)[CH](O[S]([O-])(=O)=O)[C
    H](O)C[S+]1C[CH](O)[CH](O)[CH]1CO; OC[C@
    H](O)[C@@H](O)[C@@H](O)[C@H](O[S]([O-])(
    =O)=O)[C@H](O)C[S@+]1C[C@@H](O)[C@H](O)[
    C@H]1CO    		 (1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate
    27338
    KTM    		 14 C15 H12 N2 O3 InChI=1S/C15H12N2O3/c18-1
    2-7-2-1-4-9(12)8-16-11-6-
    3-5-10-13(11)15(20)17-14(
    10)19/h1-7,16,18H,8H2,(H,
    17,19,20);
    LGIZVMOUWUZRKO-UHFFFAOYSA-N    		 c21cccc(c1C(NC2=O)=O)NCc3c(cccc3)O; c1cc
    c(c(c1)CNc2cccc3c2C(=O)NC3=O)O; Oc1ccccc
    1CNc2cccc3C(=O)NC(=O)c23    		 4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
    27339
    KTN
    CHEMBL319160
    ZINC000003872994    		 2 C26 H28 Cl2 N4 O4 InChI=1S/C26H28Cl2N4O4/c1
    -19(33)31-10-12-32(13-11-
    31)21-3-5-22(6-4-21)34-15
    -23-16-35-26(36-23,17-30-
    9-8-29-18-30)24-7-2-20(27
    )14-25(24)28/h2-9,14,18,2
    3H,10-13,15-17H2,1H3/t23-
    ,26+/m0/s1;
    XMAYWYJOQHXEEK-JYFHCDHNSA-N    		 CC(=O)N1CCN(CC1)c2ccc(OC[CH]3CO[C](Cn4cc
    nc4)(O3)c5ccc(Cl)cc5Cl)cc2; CC(=O)N1CCN(
    CC1)c2ccc(OC[C@H]3CO[C@](Cn4ccnc4)(O3)c5
    ccc(Cl)cc5Cl)cc2; CC(=O)N1CCN(CC1)c2ccc(
    cc2)OC[C@H]3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl
    )Cl; CC(=O)N1CCN(CC1)c2ccc(cc2)OCC3COC(O
    3)(Cn4ccnc4)c5ccc(cc5Cl)Cl; O=C(N5CCN(c4
    ccc(OCC1OC(OC1)(c2ccc(Cl)cc2Cl)Cn3cncc3)
    cc4)CC5)C    		 CIS-1-ACETYL-4-(4-((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHOXY)PHENYL)PIPERAZINE;
    KETOCONAZOLE
    27340
    KTO
    ZINC000584905597    		 1 C8 H13 N O2 InChI=1S/C8H13NO2/c10-8-4
    -6-2-1-3-7(5-8)9(6)11/h6-
    7,11H,1-5H2/t6-,7+;
    KCMINNPTGLFCCL-KNVOCYPGSA-N    		 ON1[C@H]2CCC[C@@H]1CC(=O)C2; ON1[CH]2CCC
    [CH]1CC(=O)C2; C1C[C@@H]2CC(=O)C[C@H](C1
    )N2O; C1CC2CC(=O)CC(C1)N2O    		 (1~{S},5~{R})-9-oxidanyl-9-azabicyclo[3.3.1]nonan-3-one
    27341
    KTP
    DB02360
    ZINC000002047839    		 2 C22 H17 O4 P InChI=1S/C22H17O4P/c23-21
    (18-13-12-15-6-1-2-8-17(1
    5)14-18)22(27(24,25)26)20
    -11-5-9-16-7-3-4-10-19(16
    )20/h1-14,22H,(H2,24,25,2
    6)/t22-/m1/s1;
    OFHMUASCSJJNNA-JOCHJYFZSA-N    		 c1ccc2cc(ccc2c1)C(=O)[C@@H](c3cccc4c3ccc
    c4)P(=O)(O)O; c1ccc2cc(ccc2c1)C(=O)C(c3c
    ccc4c3cccc4)P(=O)(O)O; O=C(c2cc1ccccc1cc
    2)C(c4cccc3ccccc34)P(=O)(O)O; O[P](O)(=O
    )[CH](C(=O)c1ccc2ccccc2c1)c3cccc4ccccc34
    ; O[P](O)(=O)[C@@H](C(=O)c1ccc2ccccc2c1)
    c3cccc4ccccc34    		 (2-NAPHTHALEN-2-YL-1-NAPHTHALEN-1-YL-2-OXO-ETHYL)-PHOSPHONIC ACID;
    BIS-NAPTHYL BETA-KETOPHOSPHONIC ACID
    27342
    KTQ    		 1 C22 H20 N4 O3 InChI=1S/C22H20N4O3/c1-29
    -19-11-5-16(6-12-19)13-14
    -23-22-21(24-20-4-2-3-15-
    25(20)22)17-7-9-18(10-8-1
    7)26(27)28/h2-12,15,23H,1
    3-14H2,1H3;
    YJYNKUFASFWVSL-UHFFFAOYSA-N    		 COc1ccc(CCNc2n3ccccc3nc2c4ccc(cc4)[N+]([
    O-])=O)cc1; COc1ccc(cc1)CCNc2c(nc3n2cccc
    3)c4ccc(cc4)[N+](=O)[O-]    		 ~{N}-[2-(4-methoxyphenyl)ethyl]-2-(4-nitrophenyl)imidazo[1,2-a]pyridin-3-amine
    27343
    KTR
    CHEMBL1619630
    ZINC000000002279    		 2 C15 H13 N O3 InChI=1S/C15H13NO3/c17-14
    (10-4-2-1-3-5-10)13-7-6-1
    2-11(15(18)19)8-9-16(12)1
    3/h1-7,11H,8-9H2,(H,18,19
    )/t11-/m1/s1;
    OZWKMVRBQXNZKK-LLVKDONJSA-N    		 c1ccc(cc1)C(=O)c2ccc3n2CC[C@H]3C(=O)O; O
    C(=O)[CH]1CCn2c1ccc2C(=O)c3ccccc3; c1ccc
    (cc1)C(=O)c2ccc3n2CCC3C(=O)O; OC(=O)[C@@
    H]1CCn2c1ccc2C(=O)c3ccccc3; O=C(O)C3c2cc
    c(C(=O)c1ccccc1)n2CC3    		 (1R)-5-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;
    Ketorolac
    27344
    KTU
    ZINC000098209088    		 1 C11 H16 O7 InChI=1S/C11H16O7/c1-2-3-
    17-11(10(15)16)5-7(13)4-9
    (18-11)8(14)6-12/h2,4,7-8
    ,12-14H,1,3,5-6H2,(H,15,1
    6)/t7-,8+,11+/m0/s1;
    SDKKPKVWEQUWPM-VAOFZXAKSA-N    		 C=CCO[C@@]1(C[C@H](C=C(O1)[C@@H](CO)O)O)
    C(=O)O; C=C\COC1(C(O)=O)OC(C(CO)O)=CC(C1
    )O; OC[C@@H](O)C1=C[C@H](O)C[C@@](OCC=C)
    (O1)C(O)=O; OC[CH](O)C1=C[CH](O)C[C](OCC
    =C)(O1)C(O)=O; C=CCOC1(CC(C=C(O1)C(CO)O)
    O)C(=O)O    		 prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulopyranosidonic acid;
    prop-2-en-1-yl 3,5-dideoxy-alpha-D-threo-oct-5-en-2-ulosidonic acid;
    prop-2-en-1-yl 3,5-dideoxy-D-threo-oct-5-en-2-ulosidonic acid;
    prop-2-en-1-yl 3,5-dideoxy-threo-oct-5-en-2-ulosidonic acid
    27345
    KTV    		 5 C15 H12 N2 O3 InChI=1S/C15H12N2O3/c18-1
    0-4-1-3-9(7-10)8-16-12-6-
    2-5-11-13(12)15(20)17-14(
    11)19/h1-7,16,18H,8H2,(H,
    17,19,20);
    XKXCBNSHVAFYGP-UHFFFAOYSA-N    		 c1cc(cc(c1)O)CNc2cccc3c2C(=O)NC3=O; Oc1c
    ccc(CNc2cccc3C(=O)NC(=O)c23)c1; C1(=O)c2
    c(C(N1)=O)cccc2NCc3cc(O)ccc3    		 4-{[(3-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione
    27346
    KTW    		 3 C9 H7 Cl N2 S InChI=1S/C9H7ClN2S/c10-6-
    2-1-3-7-5(6)4-8(13-7)9(11
    )12/h1-4H,(H3,11,12);
    AUJLCQAASPMATD-UHFFFAOYSA-N    		 c1cc2c(cc(s2)C(=N)N)c(c1)Cl; NC(=N)c1sc2
    cccc(Cl)c2c1; [H]/N=C(\c1cc2c(s1)cccc2Cl
    )/N    		 4-chloranyl-1-benzothiophene-2-carboximidamide
    27347
    KTY
    CHEMBL556
    DB00746
    ZINC000003830635    		 1 C25 H48 N6 O8 InChI=1S/C25H48N6O8/c1-21
    (32)29(37)18-9-3-6-16-27-
    22(33)12-14-25(36)31(39)2
    0-10-4-7-17-28-23(34)11-1
    3-24(35)30(38)19-8-2-5-15
    -26/h37-39H,2-20,26H2,1H3
    ,(H,27,33)(H,28,34);
    UBQYURCVBFRUQT-UHFFFAOYSA-N    		 CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(
    =O)CCC(=O)N(O)CCCCCN; C(CCCNC(CCC(N(CCCC
    CNC(CCC(=O)N(O)CCCCCN)=O)O)=O)=O)CN(O)C(
    C)=O; CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCN
    C(=O)CCC(=O)N(CCCCCN)O)O)O    		 desferrioxamine B;
    N~4~-{5-[acetyl(hydroxy)amino]pentyl}-N~1~-[5-({4-[(5-aminopentyl)(hydroxy)amino]-4-oxobutanoyl}amino)pentyl]-N~1~-hydr oxybutanediamide
    27348
    KTZ
    CHEMBL3318920
    ZINC000222801138    		 4 C20 H19 N5 InChI=1S/C20H19N5/c1-25(2
    )19-16-15(13-9-5-3-6-10-1
    3)17(14-11-7-4-8-12-14)22
    -18(16)23-20(21)24-19/h3-
    12H,1-2H3,(H3,21,22,23,24
    );
    DDOAMBAFKLSUFY-UHFFFAOYSA-N    		 n1c3c(c(nc1N)N(C)C)c(c(c2ccccc2)n3)c4ccc
    cc4; CN(C)c1nc(N)nc2[nH]c(c3ccccc3)c(c4c
    cccc4)c12; CN(C)c1c2c(c([nH]c2nc(n1)N)c3
    ccccc3)c4ccccc4    		 N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    27349
    KU0    		 2 C23 H21 Cl2 N5 O6 S InChI=1S/C23H21Cl2N5O6S/c
    24-14-11-26-12-15(25)17(1
    4)23(34)30-9-4-7-16(30)20
    -28-18(19(31)22(33)29-20)
    21(32)27-8-10-37(35,36)13
    -5-2-1-3-6-13/h1-3,5-6,11
    -12,16,31H,4,7-10H2,(H,27
    ,32)(H,28,29,33)/t16-/m0/
    s1;
    YFLBJSGKKSRTGS-INIZCTEOSA-N    		 OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)c3c(Cl)cn
    cc3Cl)C(=O)NCC[S](=O)(=O)c4ccccc4; OC1=C
    (N=C(NC1=O)[C@@H]2CCCN2C(=O)c3c(Cl)cncc3
    Cl)C(=O)NCC[S](=O)(=O)c4ccccc4; c1ccc(cc
    1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)C3CC
    CN3C(=O)c4c(cncc4Cl)Cl)O; c1(Cl)cncc(c1C
    (N4CCCC4C=3NC(C(O)=C(C(=O)NCCS(c2ccccc2)
    (=O)=O)N=3)=O)=O)Cl; c1ccc(cc1)S(=O)(=O)
    CCNC(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=
    O)c4c(cncc4Cl)Cl)O    		 2-[(2S)-1-(3,5-dichloropyridine-4-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide
    27350
    KU1    		 1 C11 H9 N3 O4 InChI=1S/C11H9N3O4/c15-8(
    16)5-12-11(18)9-10(17)6-3
    -1-2-4-7(6)13-14-9/h1-4H,
    5H2,(H,12,18)(H,13,17)(H,
    15,16);
    WSQQFPKJCSYPLX-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)C(=NN2)C(=O)NCC(=O)O; C(
    =O)(O)CNC(=O)C=2C(c1ccccc1NN=2)=O; OC(=O
    )CNC(=O)C1=NNc2ccccc2C1=O    		 N-(4-oxo-1,4-dihydrocinnoline-3-carbonyl)glycine
    27351
    KU2    		 2 C25 H25 Cl N4 O5 S InChI=1S/C25H25ClN4O5S/c2
    6-17-9-4-5-11-19(17)36-15
    -20(31)30-13-6-10-18(30)2
    3-28-21(22(32)25(34)29-23
    )24(33)27-12-14-35-16-7-2
    -1-3-8-16/h1-5,7-9,11,18,
    32H,6,10,12-15H2,(H,27,33
    )(H,28,29,34)/t18-/m0/s1;
    SAJTUABEFGSMCM-SFHVURJKSA-N    		 c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)[C@@
    H]3CCCN3C(=O)CSc4ccccc4Cl)O; OC1=C(N=C(N
    C1=O)[C@@H]2CCCN2C(=O)CSc3ccccc3Cl)C(=O)
    NCCOc4ccccc4; C(CSc1c(cccc1)Cl)(N4C(C=3N
    C(C(=C(C(=O)NCCOc2ccccc2)N=3)O)=O)CCC4)=
    O; c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(=N2)C
    3CCCN3C(=O)CSc4ccccc4Cl)O; OC1=C(N=C(NC1
    =O)[CH]2CCCN2C(=O)CSc3ccccc3Cl)C(=O)NCCO
    c4ccccc4    		 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4 -carboxamide;
    SRI-30023
    27352
    KU3    		 4 C19 H17 F N2 O3 InChI=1S/C19H17FN2O3/c1-1
    0(2)14-6-15(17(23)16-7-21
    -25-18(14)16)19(24)22-8-1
    1-3-4-13(20)5-12(11)9-22/
    h3-7,10,23H,8-9H2,1-2H3;
    XKVXUSFQFBIYEQ-UHFFFAOYSA-N    		 CC(C)c1cc(c(c2c1onc2)O)C(=O)N3Cc4ccc(cc4
    C3)F; CC(C)c3cc(C(N1Cc2c(C1)ccc(c2)F)=O)
    c(O)c4c3onc4; CC(C)c1cc(c(O)c2cnoc12)C(=
    O)N3Cc4ccc(F)cc4C3    		 (5-fluoroisoindolin-2-yl)(4-hydroxy-5-isopropylbenzo[d]isoxazol-7-yl)methanone;
    (5-fluoro-1,3-dihydro-2H-isoindol-2-yl)[4-hydroxy-7-(propan-2-yl)-1,2-benzoxazol-5-yl]methanone
    27353
    KU4    		 2 C26 H27 Cl N4 O5 InChI=1S/C26H27ClN4O5/c27
    -19-10-5-4-7-17(19)12-13-
    21(32)31-15-6-11-20(31)24
    -29-22(23(33)26(35)30-24)
    25(34)28-14-16-36-18-8-2-
    1-3-9-18/h1-5,7-10,20,33H
    ,6,11-16H2,(H,28,34)(H,29
    ,30,35)/t20-/m0/s1;
    KNLWMGHUBQQSMB-FQEVSTJZSA-N    		 C2(=O)C(O)=C(C(=O)NCCOc1ccccc1)N=C(N2)C3
    CCCN3C(CCc4c(cccc4)Cl)=O; c1ccc(cc1)OCCN
    C(=O)C2=C(C(=O)NC(=N2)C3CCCN3C(=O)CCc4cc
    ccc4Cl)O; c1ccc(cc1)OCCNC(=O)C2=C(C(=O)N
    C(=N2)[C@@H]3CCCN3C(=O)CCc4ccccc4Cl)O; O
    C1=C(N=C(NC1=O)[CH]2CCCN2C(=O)CCc3ccccc3
    Cl)C(=O)NCCOc4ccccc4; OC1=C(N=C(NC1=O)[C
    @@H]2CCCN2C(=O)CCc3ccccc3Cl)C(=O)NCCOc4c
    cccc4    		 2-{(2S)-1-[3-(2-chlorophenyl)propanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
    27354
    KU5    		 2 C25 H25 Cl N4 O6 S2 InChI=1S/C25H25ClN4O6S2/c
    26-17-9-4-5-11-19(17)37-1
    5-20(31)30-13-6-10-18(30)
    23-28-21(22(32)25(34)29-2
    3)24(33)27-12-14-38(35,36
    )16-7-2-1-3-8-16/h1-5,7-9
    ,11,18,32H,6,10,12-15H2,(
    H,27,33)(H,28,29,34)/t18-
    /m0/s1;
    QBUADGUVTJBDDK-SFHVURJKSA-N    		 C=2(NC(C(=C(C(=O)NCCS(c1ccccc1)(=O)=O)N=
    2)O)=O)C3CCCN3C(CSc4ccccc4Cl)=O; c1ccc(c
    c1)S(=O)(=O)CCNC(=O)C2=C(C(=O)NC(=N2)C3C
    CCN3C(=O)CSc4ccccc4Cl)O; OC1=C(N=C(NC1=O
    )[CH]2CCCN2C(=O)CSc3ccccc3Cl)C(=O)NCC[S]
    (=O)(=O)c4ccccc4; c1ccc(cc1)S(=O)(=O)CCN
    C(=O)C2=C(C(=O)NC(=N2)[C@@H]3CCCN3C(=O)C
    Sc4ccccc4Cl)O; OC1=C(N=C(NC1=O)[C@@H]2CC
    CN2C(=O)CSc3ccccc3Cl)C(=O)NCC[S](=O)(=O)
    c4ccccc4    		 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-[2-(phenylsulfonyl)ethyl]-1,6-dihydropyrimidine-4-carboxamide;
    SRI-30024
    27355
    KU6    		 2 C15 H15 Cl N4 O2 InChI=1S/C15H15ClN4O2/c16
    -9-1-4-13-12(7-9)11(5-6-2
    2-13)14(21)18-15-19-17-8-
    20(15)10-2-3-10/h1,4,7-8,
    10-11H,2-3,5-6H2,(H,18,19
    ,21)/t11-/m1/s1;
    MMSFMHOFPDOWCH-LLVKDONJSA-N    		 c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3nncn3C4CC4;
    Clc1ccc2OCC[CH](C(=O)Nc3nncn3C4CC4)c2c1;
    c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3nncn3C
    4CC4; Clc1ccc2OCC[C@@H](C(=O)Nc3nncn3C4C
    C4)c2c1; Clc1ccc2OCCC(c2c1)C(=O)Nc1nncn1
    C1CC1    		 (4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    27356
    KU7    		 1 C25 H25 F N4 O6 InChI=1S/C25H25FN4O6/c26-
    17-9-4-5-11-19(17)36-15-2
    0(31)30-13-6-10-18(30)23-
    28-21(22(32)25(34)29-23)2
    4(33)27-12-14-35-16-7-2-1
    -3-8-16/h1-5,7-9,11,18,32
    H,6,10,12-15H2,(H,27,33)(
    H,28,29,34)/t18-/m0/s1;
    JUQCRNPUGAGYNP-SFHVURJKSA-N    		 OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)COc3ccccc
    3F)C(=O)NCCOc4ccccc4; C=2(NC(C(=C(C(=O)N
    CCOc1ccccc1)N=2)O)=O)C3CCCN3C(COc4c(cccc
    4)F)=O; c1ccc(cc1)OCCNC(=O)C2=C(C(=O)NC(
    =N2)[C@@H]3CCCN3C(=O)COc4ccccc4F)O; OC1=
    C(N=C(NC1=O)[C@@H]2CCCN2C(=O)COc3ccccc3F
    )C(=O)NCCOc4ccccc4; c1ccc(cc1)OCCNC(=O)C
    2=C(C(=O)NC(=N2)C3CCCN3C(=O)COc4ccccc4F)
    O    		 2-{(2S)-1-[(2-fluorophenoxy)acetyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-N-(2-phenoxyethyl)-1,6-dihydropyrimidine-4-carboxamide
    27357
    KU8
    CHEMBL380648
    DB08058
    ZINC000003821234    		 1 C21 H21 F N4 O2 InChI=1S/C21H21FN4O2/c22-
    18-7-6-14(12-17(18)21(28)
    26-10-3-8-23-9-11-26)13-1
    9-15-4-1-2-5-16(15)20(27)
    25-24-19/h1-2,4-7,12,23H,
    3,8-11,13H2,(H,25,27);
    HGEPGGJUGUMFHT-UHFFFAOYSA-N    		 Fc1ccc(CC2=NNC(=O)c3ccccc23)cc1C(=O)N4CC
    CNCC4; O=C(N1CCNCCC1)c2cc(ccc2F)CC4=NNC(
    =O)c3ccccc34; c1ccc2c(c1)C(=NNC2=O)Cc3cc
    c(c(c3)C(=O)N4CCCNCC4)F    		 4-[3-(1,4-diazepan-1-ylcarbonyl)-4-fluorobenzyl]phthalazin-1(2H)-one
    27358
    KU9    		 1 C26 H25 Cl N4 O4 S InChI=1S/C26H25ClN4O4S/c2
    7-18-8-3-4-10-20(18)36-14
    -21(32)31-11-5-9-19(31)24
    -29-22(23(33)26(35)30-24)
    25(34)28-17-12-15-6-1-2-7
    -16(15)13-17/h1-4,6-8,10,
    17,19,33H,5,9,11-14H2,(H,
    28,34)(H,29,30,35)/t19-/m
    0/s1;
    UWHPAPZFSVMNKS-IBGZPJMESA-N    		 OC1=C(N=C(NC1=O)[CH]2CCCN2C(=O)CSc3ccccc
    3Cl)C(=O)NC4Cc5ccccc5C4; C3(=O)C(O)=C(C(
    =O)NC2Cc1ccccc1C2)N=C(N3)C4CCCN4C(CSc5c(
    cccc5)Cl)=O; c1ccc2c(c1)CC(C2)NC(=O)C3=C
    (C(=O)NC(=N3)[C@@H]4CCCN4C(=O)CSc5ccccc5
    Cl)O; c1ccc2c(c1)CC(C2)NC(=O)C3=C(C(=O)N
    C(=N3)C4CCCN4C(=O)CSc5ccccc5Cl)O; OC1=C(
    N=C(NC1=O)[C@@H]2CCCN2C(=O)CSc3ccccc3Cl)
    C(=O)NC4Cc5ccccc5C4    		 2-[(2S)-1-{[(2-chlorophenyl)sulfanyl]acetyl}pyrrolidin-2-yl]-N-(2,3-dihydro-1H-inden-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxamide
    27359
    KUA
    CHEMBL4449818    		 2 C22 H21 N3 O4 InChI=1S/C22H21N3O4/c26-2
    0(24-11-13-25(14-12-24)21
    (27)22(28)9-10-22)16-7-5-
    15(6-8-16)19-23-17-3-1-2-
    4-18(17)29-19/h1-8,28H,9-
    14H2;
    FGXGECPNCZCUAJ-UHFFFAOYSA-N    		 OC1(CC1)C(=O)N2CCN(CC2)C(=O)c3ccc(cc3)c4
    oc5ccccc5n4; C1N(CCN(C1)C(c4ccc(c3nc2c(c
    ccc2)o3)cc4)=O)C(C5(CC5)O)=O; c1ccc2c(c1
    )nc(o2)c3ccc(cc3)C(=O)N4CCN(CC4)C(=O)C5(
    CC5)O    		 {4-[4-(1,3-benzoxazol-2-yl)benzene-1-carbonyl]piperazin-1-yl}(1-hydroxycyclopropyl)methanone
    27360
    KUB
    CHEMBL4580996    		 2 C17 H13 Cl F3 N3 O2 S2 InChI=1S/C17H13ClF3N3O2S2
    /c1-9(11-4-10(19)2-3-13(1
    1)20)23-15-6-14(21)16(5-1
    2(15)18)28(25,26)24-17-7-
    27-8-22-17/h2-9,23-24H,1H
    3/t9-/m0/s1;
    KLWKJFRXLGLTIH-VIFPVBQESA-N    		 CC(c1cc(ccc1F)F)Nc2cc(c(cc2Cl)S(=O)(=O)N
    c3cscn3)F; C[C@@H](c1cc(ccc1F)F)Nc2cc(c(
    cc2Cl)S(=O)(=O)Nc3cscn3)F; C[CH](Nc1cc(F
    )c(cc1Cl)[S](=O)(=O)Nc2cscn2)c3cc(F)ccc3
    F; C[C@H](Nc1cc(F)c(cc1Cl)[S](=O)(=O)Nc2
    cscn2)c3cc(F)ccc3F    		 4-[[(1~{S})-1-[2,5-bis(fluoranyl)phenyl]ethyl]amino]-5-chloranyl-2-fluoranyl-~{N}-(1,3-thiazol-4-yl)benzenesulfonamide
    27361
    KUC    		 2 C24 H14 F2 N2 O3 InChI=1S/C24H14F2N2O3/c25
    -18-6-4-15-10-27(12-17(15
    )8-18)24(31)19-9-14(5-7-2
    2(19)29)23(30)28-11-16-2-
    1-3-21(26)20(16)13-28/h1-
    13,29H;
    NDSVVWMRIUKJHF-UHFFFAOYSA-N    		 c1cc2cn(cc2c(c1)F)C(=O)c3ccc(c(c3)C(=O)n
    4cc5ccc(cc5c4)F)O; c3(C(=O)n1cc2c(c1)ccc
    (c2)F)c(O)ccc(c3)C(n4cc5c(c4)c(ccc5)F)=O
    ; Oc1ccc(cc1C(=O)n2cc3ccc(F)cc3c2)C(=O)n
    4cc5cccc(F)c5c4    		 [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-fluoro-2H-isoindol-2-yl)methanone
    27362
    KUD    		 5 C14 H16 O3 InChI=1S/C14H16O3/c15-13(
    16)9-11-7-4-8-12(11)14(17
    )10-5-2-1-3-6-10/h1-3,5-6
    ,11-12H,4,7-9H2,(H,15,16)
    /t11-,12+/m0/s1;
    NMNCOSWJMSHIOO-NWDGAFQWSA-N    		 c1ccc(cc1)C(=O)C2CCCC2CC(=O)O; c1ccc(cc1
    )C(=O)[C@@H]2CCC[C@H]2CC(=O)O; OC(=O)C[C
    @@H]1CCC[C@H]1C(=O)c2ccccc2; OC(=O)C[CH]
    1CCC[CH]1C(=O)c2ccccc2; C2CCC(C(=O)c1ccc
    cc1)C2CC(O)=O    		 [(1S,2R)-2-(benzenecarbonyl)cyclopentyl]acetic acid
    27363
    KUE
    CHEMBL4529904    		 4 C24 H28 N4 O5 S InChI=1S/C24H28N4O5S/c1-3
    3-22-12-11-17(34(31,32)28
    -13-7-3-2-4-8-14-28)15-21
    (22)25-23(29)16-20-18-9-5
    -6-10-19(18)24(30)27-26-2
    0/h5-6,9-12,15H,2-4,7-8,1
    3-14,16H2,1H3,(H,25,29)(H
    ,27,30);
    ZQSQGRGBMUBDMZ-UHFFFAOYSA-N    		 COc1ccc(cc1NC(=O)CC2=NNC(=O)c3c2cccc3)S(
    =O)(=O)N4CCCCCCC4; COc1ccc(cc1NC(=O)CC2=
    NNC(=O)c3ccccc23)[S](=O)(=O)N4CCCCCCC4    		 ~{N}-[5-(azocan-1-ylsulfonyl)-2-methoxy-phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide
    27364
    KUF
    ZINC000034628558    		 4 C10 H9 N O InChI=1S/C10H9NO/c1-7-2-3
    -8-4-5-11-10(12)9(8)6-7/h
    2-6H,1H3,(H,11,12);
    ZLTCEYHTNOZGIS-UHFFFAOYSA-N    		 Cc1ccc2c(c1)C(=O)NC=C2; Cc1ccc2C=CNC(=O)
    c2c1    		 7-METHYL-2H-ISOQUINOLIN-1-ONE
    27365
    KUG    		 4 C14 H16 O3 InChI=1S/C14H16O3/c15-13(
    16)9-11-7-4-8-12(11)14(17
    )10-5-2-1-3-6-10/h1-3,5-6
    ,11-12H,4,7-9H2,(H,15,16)
    /t11-,12+/m1/s1;
    NMNCOSWJMSHIOO-NEPJUHHUSA-N    		 c1ccc(cc1)C(=O)C2CCCC2CC(=O)O; OC(=O)C[C
    @H]1CCC[C@@H]1C(=O)c2ccccc2; OC(=O)C[CH]
    1CCC[CH]1C(=O)c2ccccc2; C2CCC(C(c1ccccc1
    )=O)C2CC(O)=O; c1ccc(cc1)C(=O)[C@H]2CCC[
    C@@H]2CC(=O)O    		 [(1R,2S)-2-(benzenecarbonyl)cyclopentyl]acetic acid
    27366
    KUH
    CHEMBL4780011    		 1 C22 H29 N3 O5 S InChI=1S/C22H29N3O5S/c1-5
    -25(6-2)31(28,29)15-11-12
    -19(30-4)17(13-15)24-22(2
    7)21-16-9-7-8-10-18(26)20
    (16)14(3)23-21/h11-13,23H
    ,5-10H2,1-4H3,(H,24,27);
    DLOWILGTRNUHPQ-UHFFFAOYSA-N    		 CCN(CC)S(=O)(=O)c1ccc(c(c1)NC(=O)c2c3c(c
    ([nH]2)C)C(=O)CCCC3)OC; CCN(CC)[S](=O)(=
    O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c3C(=O)CCCC
    c23)c1    		 ~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    27367
    KUI    		 2 C16 H12 F3 N3 O3 InChI=1S/C16H12F3N3O3/c1-
    2-25-15(24)11-8-20-22-13(
    23)7-12(21-14(11)22)9-3-5
    -10(6-4-9)16(17,18)19/h3-
    8,21H,2H2,1H3;
    TWBQZWQWRZJYPA-UHFFFAOYSA-N    		 CCOC(=O)c1cnn2c1NC(=CC2=O)c3ccc(cc3)C(F)
    (F)F; FC(F)(F)c1ccc(cc1)C1=CC(=O)n2ncc(c
    2N1)C(=O)OCC; CCOC(=O)c1cnn2C(=O)C=C(Nc1
    2)c3ccc(cc3)C(F)(F)F    		 ethyl (8S)-7-oxo-5-[4-(trifluoromethyl)phenyl]-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
    27368
    KUJ    		 2 C35 H54 O8 InChI=1S/C35H54O8/c1-19(1
    1-13-26(37)14-12-21(3)32-
    22(4)16-29(42-32)24(6)40-
    7)15-25(17-36)34-27-10-8-
    9-20(2)30(27)23(5)33(43-3
    4)31-28(38)18-41-35(31)39
    /h12,14-15,19-24,26-27,29
    -30,32,34,36-37H,8-11,13,
    16-18H2,1-7H3/b14-12+,25-
    15+,33-31+/t19-,20-,21+,2
    2+,23+,24+,26+,27+,29-,30
    -,32+,34-/m1/s1;
    RLWRBBXSBCBSGG-HASGRZBRSA-N    		 CC1CCCC2C1C(C(=C3C(=O)COC3=O)OC2C(=CC(C)
    CCC(C=CC(C)C4C(CC(O4)C(C)OC)C)O)CO)C; C(
    \C(=C/C(C)CCC([C@H]=[C@H]C(C)C1C(CC(O1)C
    (C)OC)C)O)C3C2CCCC(C)C2C(C)/C(O3)=C4/C(=
    O)COC4=O)O; C[C@@H]1CCC[C@H]2[C@H]1[C@@H
    ](/C(=C\3/C(=O)COC3=O)/O[C@@H]2/C(=C/[C@
    H](C)CC[C@@H](/C=C/[C@H](C)[C@H]4[C@H](C
    [C@@H](O4)[C@H](C)OC)C)O)/CO)C; CO[C@@H]
    (C)[C@H]1C[C@H](C)[C@@H](O1)[C@@H](C)\C=
    C\[C@@H](O)CC[C@@H](C)\C=C(/CO)[C@H]2OC(
    \[C@@H](C)[C@H]3[C@H](C)CCC[C@H]23)=C4/C
    (=O)COC4=O; CO[CH](C)[CH]1C[CH](C)[CH](O
    1)[CH](C)C=C[CH](O)CC[CH](C)C=C(CO)[CH]2
    OC([CH](C)[CH]3[CH](C)CCC[CH]23)=C4C(=O)
    COC4=O    		 (3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione
    27369
    KUK    		 2 C16 H18 N12 O5 InChI=1S/C16H18N12O5/c17-
    11-10(13(30)24-15(18)23-1
    1)22-16(33)20-6-1-2-7(19-
    5-6)12(29)21-8(14(31)32)3
    -4-9-25-27-28-26-9/h1-2,5
    ,8,10H,3-4H2,(H,21,29)(H,
    31,32)(H2,20,22,33)(H,25,
    26,27,28)(H4,17,18,23,24,
    30)/t8-,10-/m0/s1;
    AFYCZELCTVXAOG-WPRPVWTQSA-N    		 c1cc(ncc1NC(=O)NC2C(=NC(=NC2=O)N)N)C(=O)
    NC(CCc3[nH]nnn3)C(=O)O; c1cc(ncc1NC(=O)N
    C2C(=NC(=NC2=O)N)N)C(=O)N[C@@H](CCc3[nH]
    nnn3)C(=O)O; NC1=NC(=O)[CH](NC(=O)Nc2ccc
    (nc2)C(=O)N[CH](CCc3[nH]nnn3)C(O)=O)C(=N
    1)N; NC1=NC(=O)[C@@H](NC(=O)Nc2ccc(nc2)C
    (=O)N[C@@H](CCc3[nH]nnn3)C(O)=O)C(=N1)N    		 (2~{S})-2-[[5-[[2,4-bis(azanyl)-6-oxidanylidene-5~{H}-pyrimidin-5-yl]carbamoylamino]pyridin-2-yl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid;
    TH9028
    27370
    KUL    		 2 C11 H10 F N O4 S InChI=1S/C11H10FNO4S/c1-1
    8(16,17)7-2-3-8(12)9(6-7)
    13-10(14)4-5-11(13)15/h2-
    3,6H,4-5H2,1H3;
    RISNMQBAJMCDFN-UHFFFAOYSA-N    		 CS(=O)(=O)c1ccc(c(c1)N2C(=O)CCC2=O)F; C[
    S](=O)(=O)c1ccc(F)c(c1)N2C(=O)CCC2=O    		 1-(2-fluoranyl-5-methylsulfonyl-phenyl)pyrrolidine-2,5-dione;
    1-(2-Fluoro-5-methylsulfonylphenyl)pyrrole-2,5-dione (reacted form of)
    27371
    KUM
    CHEMBL2163631
    ZINC000095555435    		 4 C21 H19 N3 O4 InChI=1S/C21H19N3O4/c1-26
    -17-8-12(9-18(27-2)20(17)
    28-3)19(25)16-11-23-21(24
    -16)14-10-22-15-7-5-4-6-1
    3(14)15/h4-11,22H,1-3H3,(
    H,23,24);
    WQGVHOVEXMOLOK-UHFFFAOYSA-N    		 COc1cc(cc(c1OC)OC)C(=O)c2cnc([nH]2)c3c[n
    H]c4c3cccc4; COc1cc(cc(OC)c1OC)C(=O)c2[n
    H]c(nc2)c3c[nH]c4ccccc34; c1(c(c(OC)cc(c
    1)C(=O)c2cnc(n2)c4c3ccccc3nc4)OC)OC    		 [2-(1H-indol-3-yl)-1H-imidazol-5-yl](3,4,5-trimethoxyphenyl)methanone
    27372
    KUN    		 2 C17 H18 F N7 O7 InChI=1S/C17H18FN7O7/c18-
    8-3-6(22-10(26)4-7-13(19)
    24-17(20)25-14(7)29)5-21-
    12(8)15(30)23-9(16(31)32)
    1-2-11(27)28/h3,5,9H,1-2,
    4H2,(H,22,26)(H,23,30)(H,
    27,28)(H,31,32)(H5,19,20,
    24,25,29)/t9-/m0/s1;
    ALGPVOJFIGPPPX-VIFPVBQESA-N    		 c1c(cnc(c1F)C(=O)NC(CCC(=O)O)C(=O)O)NC(=
    O)CC2=C(NC(=NC2=O)N)N; NC1=NC(=O)C(=C(N)
    N1)CC(=O)Nc2cnc(c(F)c2)C(=O)N[CH](CCC(O)
    =O)C(O)=O; c1c(cnc(c1F)C(=O)N[C@@H](CCC(
    =O)O)C(=O)O)NC(=O)CC2=C(NC(=NC2=O)N)N; N
    C1=NC(=O)C(=C(N)N1)CC(=O)Nc2cnc(c(F)c2)C
    (=O)N[C@@H](CCC(O)=O)C(O)=O    		 (E,4S)-4-[[5-[2-[2,6-bis(azanyl)-4-oxidanylidene-1H-pyrimidin-5-yl]ethanoylamino]-3-fluoranyl-pyridin-2-yl]carbonylamino]pent-2-enedioic acid;
    TH9619
    27373
    KUO    		 1 C32 H42 Cl N3 O6 InChI=1S/C32H42ClN3O6/c1-
    32(2,3)21-36-26-11-10-23(
    33)19-25(26)30(24-8-5-6-9
    -27(24)41-4)42-17-7-14-35
    (20-28(36)37)31(40)34-15-
    12-22(13-16-34)18-29(38)3
    9/h5-6,8-11,19,22,30H,7,1
    2-18,20-21H2,1-4H3,(H,38,
    39)/t30-/m1/s1;
    LXTOPZNQSVXGNW-SSEXGKCCSA-N    		 CC(C)(C)CN1c2ccc(cc2[C@H](OCCCN(CC1=O)C(
    =O)N3CCC(CC3)CC(=O)O)c4ccccc4OC)Cl; COc1
    ccccc1[C@H]2OCCCN(CC(=O)N(CC(C)(C)C)c3cc
    c(Cl)cc23)C(=O)N4CCC(CC4)CC(O)=O; CC(C)(
    C)CN1c2ccc(cc2C(OCCCN(CC1=O)C(=O)N3CCC(C
    C3)CC(=O)O)c4ccccc4OC)Cl; COc1ccccc1[CH]
    2OCCCN(CC(=O)N(CC(C)(C)C)c3ccc(Cl)cc23)C
    (=O)N4CCC(CC4)CC(O)=O    		 2-[1-[[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3-oxidanylidene-9-oxa-2,5-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-5-yl]carbonyl]piperidin-4-yl]ethanoic acid
    27374
    KUP
    CHEMBL19633
    ZINC000000024946    		 2 C13 H16 N4 O2 InChI=1S/C13H16N4O2/c1-18
    -10-4-3-8(6-11(10)19-2)5-
    9-7-16-13(15)17-12(9)14/h
    3-4,6-7H,5H2,1-2H3,(H4,14
    ,15,16,17);
    LDBTVAXGKYIFHO-UHFFFAOYSA-N    		 Nc2ncc(Cc1ccc(c(OC)c1)OC)c(n2)N; COc1ccc
    (cc1OC)Cc2cnc(nc2N)N; COc1ccc(Cc2cnc(N)n
    c2N)cc1OC    		 5-[(3,4-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
    27375
    KUQ
    CHEMBL4638064    		 1 C15 H18 N2 O5 InChI=1S/C15H18N2O5/c18-7
    -10-11(19)12(20)13(21)14(
    22-10)9-6-16-15(17-9)8-4-
    2-1-3-5-8/h1-6,10-14,18-2
    1H,7H2,(H,16,17)/t10-,11-
    ,12+,13-,14+/m1/s1;
    HSTOUPNMEGVFOM-RGDJUOJXSA-N    		 c1ccc(cc1)c2[nH]cc(n2)C3C(C(C(C(O3)CO)O)
    O)O; OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@
    @H]1O)c2c[nH]c(n2)c3ccccc3; c1ccc(cc1)c2
    [nH]cc(n2)[C@H]3[C@@H]([C@H]([C@@H]([C@H
    ](O3)CO)O)O)O; OC[CH]1O[CH]([CH](O)[CH](
    O)[CH]1O)c2c[nH]c(n2)c3ccccc3    		 (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-phenyl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol
    27376
    KUR
    CHEMBL5191316    		 2 C28 H29 F N6 O2 InChI=1S/C28H29FN6O2/c1-1
    7-25(31-12-11-30-17)26-24
    (28(37)34-15-18(14-29)16-
    34)27-32-22(13-23(36)35(2
    7)33-26)21-9-7-20(8-10-21
    )19-5-3-2-4-6-19/h7-13,18
    -19,32H,2-6,14-16H2,1H3;
    UNRTVIQQMJRQLZ-UHFFFAOYSA-N    		 Cc1nccnc1c2nn3C(=O)C=C(Nc3c2C(=O)N4CC(CF
    )C4)c5ccc(cc5)C6CCCCC6; FCC1CN(C1)C(=O)c
    1c2NC(=CC(=O)n2nc1c1nccnc1C)c1ccc(cc1)C1
    CCCCC1; Cc1c(nccn1)c2c(c3n(n2)C(=O)C=C(N
    3)c4ccc(cc4)C5CCCCC5)C(=O)N6CC(C6)CF    		 (8S)-5-(4-cyclohexylphenyl)-3-[3-(fluoromethyl)azetidine-1-carbonyl]-2-(3-methylpyrazin-2-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
    27377
    KUS    		 1 C10 H8 Cl N O2 InChI=1S/C10H8ClNO2/c11-8
    -3-5-9(6-4-8)12-10(14)2-1
    -7-13/h1-7H,(H,12,14)/b2-
    1-;
    YTEPRIVNANIKQZ-UPHRSURJSA-N    		 Clc1ccc(NC(=O)\C=C/C=O)cc1; c1cc(ccc1NC(
    =O)/C=C\C=O)Cl; Clc1ccc(NC(=O)C=CC=O)cc1
    ; c1cc(ccc1NC(=O)C=CC=O)Cl    		 (Z)-N-(4-chlorophenyl)-4-oxidanylidene-but-2-enamide;
    N1-(4-chlorophenyl)-2-butenediamide (reacted form of)
    27378
    KUT    		 0 C35 H63 N3 O12 InChI=1S/C35H63N3O12/c39-
    21-24-49-26-25-47-23-20-3
    7-33(42)29-50-28-27-48-22
    -19-36-31(40)18-17-30(35(
    45)46)38-32(41)15-13-11-9
    -7-5-3-1-2-4-6-8-10-12-14
    -16-34(43)44/h21,30H,1-20
    ,22-29H2,(H,36,40)(H,37,4
    2)(H,38,41)(H,43,44)(H,45
    ,46)/t30-/m0/s1;
    AJSAGMJPNUAXMY-PMERELPUSA-N    		 C(CCCCCCCCC(=O)O)CCCCCCCC(=O)NC(CCC(=O)N
    CCOCCOCC(=O)NCCOCCOCC=O)C(=O)O; OC(=O)CC
    CCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCC
    OCC(=O)NCCOCCOCC=O)C(O)=O; OC(=O)CCCCCCC
    CCCCCCCCCC(=O)N[CH](CCC(=O)NCCOCCOCC(=O)
    NCCOCCOCC=O)C(O)=O; C(CCCCCCCCC(=O)O)CCC
    CCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCC
    OCCOCC=O)C(=O)O    		 KUT [2-(2-[2-(2-[2-(Octadecandioyl-gamma-Glu)amino]ethoxy)ethoxy]acetylamino)ethoxy]ethoxy)acetyl]
    27379
    KUU    		 1 C17 H19 Cl N2 O InChI=1S/C17H19ClN2O/c1-1
    1(2)16(13-5-4-6-14(18)9-1
    3)17(21)20-15-10-19-8-7-1
    2(15)3/h4-11,16H,1-3H3,(H
    ,20,21)/t16-/m1/s1;
    AIEXTLCJBMNDNF-MRXNPFEDSA-N    		 Cc1ccncc1NC(=O)[C@@H](c2cccc(c2)Cl)C(C)C
    ; CC(C)[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2
    ; Cc1ccncc1NC(=O)C(c2cccc(c2)Cl)C(C)C; O
    =C(Nc1cnccc1C)C(c1cccc(Cl)c1)C(C)C; CC(C
    )[C@@H](C(=O)Nc1cnccc1C)c2cccc(Cl)c2    		 (2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide
    27380
    KUV
    CHEMBL3648680
    ZINC000169699294    		 2 C20 H22 F3 N7 O S InChI=1S/C20H22F3N7OS/c1-
    29-20(30-7-5-10(21)13(24)
    6-8-30)14(9-26-29)27-18(3
    1)16-17(25)32-19(28-16)15
    -11(22)3-2-4-12(15)23/h2-
    4,9-10,13H,5-8,24-25H2,1H
    3,(H,27,31)/t10-,13-/m1/s
    1;
    NHXVGMQFCYBLTL-ZWNOBZJWSA-N    		 Cn1ncc(NC(=O)c2nc(sc2N)c3c(F)cccc3F)c1N4
    CC[C@@H](N)[C@H](F)CC4; Cn1c(c(cn1)NC(=O
    )c2c(sc(n2)c3c(cccc3F)F)N)N4CC[C@H]([C@@
    H](CC4)F)N; Cn1ncc(NC(=O)c2nc(sc2N)c3c(F
    )cccc3F)c1N4CC[CH](N)[CH](F)CC4; n3(c(c(
    NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(C
    (F)CC4)N)C; Cn1c(c(cn1)NC(=O)c2c(sc(n2)c
    3c(cccc3F)F)N)N4CCC(C(CC4)F)N    		 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
    27381
    KUW    		 7 C24 H27 Cl N4 O5 S InChI=1S/C24H27ClN4O5S/c1
    -15(2)29-24(32)21(22(35(2
    9,33)34)17-6-4-3-5-7-17)2
    7-18-8-10-28(11-9-18)23-1
    9(25)12-16(14-26-23)13-20
    (30)31/h3-7,12,14-15,18,2
    7H,8-11,13H2,1-2H3,(H,30,
    31);
    JSAUQHYJLCPNIF-UHFFFAOYSA-N    		 CC(C)N1C(=O)C(=C(c2ccccc2)[S]1(=O)=O)NC3
    CCN(CC3)c4ncc(CC(O)=O)cc4Cl; CC(C)N1C(=O
    )C(=C(S1(=O)=O)c2ccccc2)NC3CCN(CC3)c4c(c
    c(cn4)CC(=O)O)Cl    		 2-[5-chloranyl-6-[4-[[1,1,3-tris(oxidanylidene)-5-phenyl-2-propan-2-yl-1,2-thiazol-4-yl]amino]piperidin-1-yl]pyridin-3-yl]ethanoic acid
    27382
    KUX    		 1 C18 H17 N7 O8 S InChI=1S/C18H17N7O8S/c19-
    4-8-1-2-9(10(26)3-8)17(29
    )24-34(30,31)32-5-11-13(2
    7)14(28)18(33-11)25-7-23-
    12-15(20)21-6-22-16(12)25
    /h1-3,6-7,11,13-14,18,26-
    28H,5H2,(H,24,29)(H2,20,2
    1,22)/t11-,13-,14-,18-/m1
    /s1;
    WCJMOPOQHFMEGK-XWXWGSFUSA-N    		 c1cc(c(cc1C#N)O)C(=O)NS(=O)(=O)OC[C@@H]2
    [C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O
    ; c1cc(c(cc1C#N)O)C(=O)NS(=O)(=O)OCC2C(C
    (C(O2)n3cnc4c3ncnc4N)O)O; Nc1ncnc2n(cnc1
    2)[C@@H]3O[C@H](CO[S](=O)(=O)NC(=O)c4ccc
    (cc4O)C#N)[C@@H](O)[C@H]3O; N#Cc1ccc(c(O
    )c1)C(=O)NS(=O)(=O)OCC1OC(n2cnc3c(N)ncnc
    32)C(O)C1O; Nc1ncnc2n(cnc12)[CH]3O[CH](C
    O[S](=O)(=O)NC(=O)c4ccc(cc4O)C#N)[CH](O)
    [CH]3O    		 5'-O-[(4-cyano-2-hydroxybenzoyl)sulfamoyl]adenosine
    27383
    KUY
    CHEMBL4437940
    ZINC000072317718    		 1 C20 H23 F2 N7 O S InChI=1S/C20H23F2N7OS/c1-
    28-20(29-8-3-4-11(23)7-9-
    29)14(10-25-28)26-18(30)1
    6-17(24)31-19(27-16)15-12
    (21)5-2-6-13(15)22/h2,5-6
    ,10-11H,3-4,7-9,23-24H2,1
    H3,(H,26,30)/t11-/m0/s1;
    JEVIKKKBDOXJFA-NSHDSACASA-N    		 Cn1c(c(cn1)NC(=O)c2c(sc(n2)c3c(cccc3F)F)
    N)N4CCCC(CC4)N; Cn1c(c(cn1)NC(=O)c2c(sc(
    n2)c3c(cccc3F)F)N)N4CCC[C@@H](CC4)N; Cn1
    ncc(NC(=O)c2nc(sc2N)c3c(F)cccc3F)c1N4CCC
    [C@H](N)CC4; Cn1ncc(NC(=O)c2nc(sc2N)c3c(
    F)cccc3F)c1N4CCC[CH](N)CC4; n3(c(c(NC(c2
    nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(CCC4)N
    )C    		 5-amino-N-{5-[(4S)-4-aminoazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
    27384
    KV0    		 2 C11 H6 F I2 N O3 InChI=1S/C11H6FI2NO3/c12-
    5-1-2-15(4-5)9-7(13)3-6(1
    1(17)18)10(16)8(9)14/h1-4
    ,16H,(H,17,18);
    TWCNCDUFQCXOKF-UHFFFAOYSA-N    		 c1cn(cc1F)c2c(cc(c(c2I)O)C(=O)O)I; OC(=O
    )c1cc(I)c(n2ccc(F)c2)c(I)c1O    		 4-(3-fluoranylpyrrol-1-yl)-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid
    27385
    KV1
    CHEMBL3125272
    ZINC000098209089    		 4 C23 H27 N5 O4 InChI=1S/C23H27N5O4/c1-4-
    14-10-18(27(3)26-14)22(30
    )25-15-11-19(21(29)24-5-2
    )28(12-15)23(31)17-13-32-
    20-9-7-6-8-16(17)20/h6-10
    ,13,15,19H,4-5,11-12H2,1-
    3H3,(H,24,29)(H,25,30)/t1
    5-,19+/m1/s1;
    NCHSTBMDNNMMEJ-BEFAXECRSA-N    		 CCc1cc(n(n1)C)C(=O)N[C@@H]2C[C@H](N(C2)C
    (=O)c3coc4c3cccc4)C(=O)NCC; CCc1cc(n(n1)
    C)C(=O)NC2CC(N(C2)C(=O)c3coc4c3cccc4)C(=
    O)NCC; CCNC(=O)[CH]1C[CH](CN1C(=O)c2coc3
    ccccc23)NC(=O)c4cc(CC)nn4C; CCNC(=O)[C@@
    H]1C[C@H](CN1C(=O)c2coc3ccccc23)NC(=O)c4
    cc(CC)nn4C; O=C(NCC)C4N(C(=O)c1c2ccccc2o
    c1)CC(NC(=O)c3cc(nn3C)CC)C4    		 N-((3R,5S)-1-(benzofuran-3-carbonyl)-5-(ethylcarbamoyl)pyrrolidin-3-yl)-3-ethyl-1-methyl-1H-pyrazole-5-carboxamide
    27386
    KV3    		 1 C31 H39 Cl N2 O6 InChI=1S/C31H39ClN2O6/c1-
    31(2,3)19-34-25-13-12-21(
    32)17-24(25)29(23-10-5-6-
    11-26(23)39-4)40-15-14-33
    (27(35)18-28(34)36)22-9-7
    -8-20(16-22)30(37)38/h5-6
    ,10-13,17,20,22,29H,7-9,1
    4-16,18-19H2,1-4H3,(H,37,
    38)/t20-,22+,29+/m0/s1;
    CJHFRTFWDPUFCC-APLXEUBXSA-N    		 CC(C)(C)CN1c2ccc(cc2C(OCCN(C(=O)CC1=O)C3
    CCCC(C3)C(=O)O)c4ccccc4OC)Cl; CC(C)(C)CN
    1c2ccc(cc2[C@H](OCCN(C(=O)CC1=O)[C@@H]3C
    CC[C@@H](C3)C(=O)O)c4ccccc4OC)Cl; COc1cc
    ccc1[CH]2OCCN([CH]3CCC[CH](C3)C(O)=O)C(=
    O)CC(=O)N(CC(C)(C)C)c4ccc(Cl)cc24; COc1c
    cccc1[C@H]2OCCN([C@@H]3CCC[C@@H](C3)C(O)
    =O)C(=O)CC(=O)N(CC(C)(C)C)c4ccc(Cl)cc24    		 (1~{S},3~{R})-3-[(10~{S})-13-chloranyl-2-(2,2-dimethylpropyl)-10-(2-methoxyphenyl)-3,5-bis(oxidanylidene)-9-oxa-2,6-diazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-6-yl]cyclohexane-1-carboxylic acid
    27387
    KV4    		 0 C27 H31 Cl N6 O3 S InChI=1S/C27H31ClN6O3S/c2
    8-20-9-7-19(8-10-20)18-5-
    3-17(4-6-18)13-30-11-1-2-
    12-38-14-21-23(35)24(36)2
    7(37-21)34-16-33-22-25(29
    )31-15-32-26(22)34/h3-10,
    15-16,21,23-24,27,30,35-3
    6H,1-2,11-14H2,(H2,29,31,
    32)/t21-,23-,24-,27-/m1/s
    1;
    MOBXZFNRPCKUOV-VBHAUSMQSA-N    		 c1cc(ccc1CNCCCCSC[C@@H]2[C@H]([C@H]([C@@
    H](O2)n3cnc4c3ncnc4N)O)O)c5ccc(cc5)Cl; C
    1(OC(C(C1O)O)n3c2ncnc(c2nc3)N)CSCCCCNCc4
    ccc(cc4)c5ccc(cc5)Cl; Nc1ncnc2n(cnc12)[C
    H]3O[CH](CSCCCCNCc4ccc(cc4)c5ccc(Cl)cc5)
    [CH](O)[CH]3O; c1cc(ccc1CNCCCCSCC2C(C(C(
    O2)n3cnc4c3ncnc4N)O)O)c5ccc(cc5)Cl; Nc1n
    cnc2n(cnc12)[C@@H]3O[C@H](CSCCCCNCc4ccc(
    cc4)c5ccc(Cl)cc5)[C@@H](O)[C@H]3O    		 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-4-yl)methyl]amino}butyl)-5'-thioadenosine;
    SGC8158
    27388
    KV5
    CHEMBL4646575    		 1 C19 H20 N2 O5 InChI=1S/C19H20N2O5/c22-9
    -14-15(23)16(24)17(25)18(
    26-14)13-8-20-19(21-13)12
    -6-5-10-3-1-2-4-11(10)7-1
    2/h1-8,14-18,22-25H,9H2,(
    H,20,21)/t14-,15-,16+,17-
    ,18+/m1/s1;
    VRUXFQSZTNCMBM-SFFUCWETSA-N    		 c1ccc2cc(ccc2c1)c3[nH]cc(n3)[C@H]4[C@@H]
    ([C@H]([C@@H]([C@H](O4)CO)O)O)O; c1ccc2c
    c(ccc2c1)c3[nH]cc(n3)C4C(C(C(C(O4)CO)O)O
    )O; OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@
    H]1O)c2c[nH]c(n2)c3ccc4ccccc4c3; OC[CH]1
    O[CH]([CH](O)[CH](O)[CH]1O)c2c[nH]c(n2)c
    3ccc4ccccc4c3    		 (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1~{H}-imidazol-4-yl)oxane-3,4,5-triol
    27389
    KV6    		 0 C17 H35 N O2 InChI=1S/C17H35NO2/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-16(18)15-17(19)20/h16H
    ,2-15,18H2,1H3,(H,19,20)/
    t16-/m1/s1;
    DDQVUIVECUEYEG-MRXNPFEDSA-N    		 CCCCCCCCCCCCCC[CH](N)CC(O)=O; CCCCCCCCCC
    CCCC[C@H](CC(=O)O)N; NC(CCCCCCCCCCCCCC)C
    C(=O)O; CCCCCCCCCCCCCCC(CC(=O)O)N; CCCCC
    CCCCCCCCC[C@@H](N)CC(O)=O    		 (3R)-3-aminoheptadecanoic acid;
    N-[(2S,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3S,4S,5R,6R)-4-[(2S,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl )-3-oxo-oxan-2-yl]oxy-3,5-dihydroxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl ]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]ethanamide
    27390
    KV9    		 1 C26 H23 N3 O6 S InChI=1S/C26H23N3O6S/c30-
    20-12-22(29-4-6-32-7-5-29
    )35-24-19(15-36-25(20)24)
    17-10-18(23-21(11-17)33-8
    -9-34-23)26(31)28-14-16-2
    -1-3-27-13-16/h1-3,10-13,
    15H,4-9,14H2,(H,28,31);
    ZMMQGCYUYDMFPB-UHFFFAOYSA-N    		 O1CCOc2c1cc(cc2C(=O)NCc3cnccc3)c4c5OC(=C
    C(=O)c5sc4)N6CCOCC6; c1cc(cnc1)CNC(=O)c2
    cc(cc3c2OCCO3)c4csc5c4OC(=CC5=O)N6CCOCC6
    ; O=C(NCc1cccnc1)c2cc(cc3OCCOc23)c4csc5C
    (=O)C=C(Oc45)N6CCOCC6    		 7-[5-(morpholin-4-yl)-7-oxo-7H-thieno[3,2-b]pyran-3-yl]-N-[(pyridin-3-yl)methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxamide
    27391
    KVA    		 2 C11 H5 F2 I2 N O3 InChI=1S/C11H5F2I2NO3/c12
    -5-2-16(3-6(5)13)9-7(14)1
    -4(11(18)19)10(17)8(9)15/
    h1-3,17H,(H,18,19);
    FESMMSZGNQNLCH-UHFFFAOYSA-N    		 OC(=O)c1cc(I)c(n2cc(F)c(F)c2)c(I)c1O; c1
    c(c(c(c(c1I)n2cc(c(c2)F)F)I)O)C(=O)O    		 4-[3,4-bis(fluoranyl)pyrrol-1-yl]-3,5-bis(iodanyl)-2-oxidanyl-benzoic acid
    27392
    KVB
    CHEMBL214719
    ZINC000014972488    		 2 C32 H24 F3 N O3 InChI=1S/C32H24F3NO3/c33-
    32(34,35)28-11-5-10-27-30
    (25(19-36-31(27)28)16-21-
    6-2-1-3-7-21)24-8-4-9-26(
    18-24)39-20-23-14-12-22(1
    3-15-23)17-29(37)38/h1-15
    ,18-19H,16-17,20H2,(H,37,
    38);
    VXHRQVMQVYQGQG-UHFFFAOYSA-N    		 c1ccc(cc1)Cc2cnc3c(c2c4cccc(c4)OCc5ccc(c
    c5)CC(=O)O)cccc3C(F)(F)F; OC(=O)Cc1ccc(C
    Oc2cccc(c2)c3c(Cc4ccccc4)cnc5c3cccc5C(F)
    (F)F)cc1    		 2-[4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)quinolin-4-yl]phenoxy]methyl]phenyl]ethanoic acid
    27393
    KVC
    CHEMBL3286832
    ZINC000098209090    		 1 C23 H18 F N7 O2 InChI=1S/C23H18FN7O2/c1-1
    2-16-7-14(24)4-5-15(16)23
    (32)30(2)11-18-20(17-9-27
    -21(26)22(29-17)33-12)31-
    10-13(8-25)3-6-19(31)28-1
    8/h3-7,9-10,12H,11H2,1-2H
    3,(H2,26,27)/t12-/m1/s1;
    MOENETCLMCOREY-GFCCVEGCSA-N    		 C[C@@H]1c2cc(ccc2C(=O)N(Cc3c(n4cc(ccc4n3
    )C#N)-c5cnc(c(n5)O1)N)C)F; CC1c2cc(ccc2C
    (=O)N(Cc3c(n4cc(ccc4n3)C#N)-c5cnc(c(n5)O
    1)N)C)F; Fc3ccc2C(=O)N(Cc1nc5ccc(C#N)cn5
    c1c4nc(OC(c2c3)C)c(nc4)N)C; C[C@H]1Oc2nc
    (cnc2N)c3n4cc(ccc4nc3CN(C)C(=O)c5ccc(F)c
    c15)C#N; C[CH]1Oc2nc(cnc2N)c3n4cc(ccc4nc
    3CN(C)C(=O)c5ccc(F)cc15)C#N    		 (5R)-8-amino-3-fluoro-5,19-dimethyl-20-oxo-5,18,19,20-tetrahydro-11,7-(azeno)pyrido[2',1':2,3]imidazo[4,5-h][2,5,11]benzoxadiazacyclotetradecine-14-carbonitrile
    27394
    KVD
    CHEMBL1324612
    ZINC000000161474    		 1 C14 H9 N O2 InChI=1S/C14H9NO2/c16-14(
    17)13-8-12(9-15-10-13)7-6
    -11-4-2-1-3-5-11/h1-5,8-1
    0H,(H,16,17);
    DXJZBANECHYHRT-UHFFFAOYSA-N    		 c1ccc(cc1)C#Cc2cc(cnc2)C(=O)O; c1(ccccc1
    )C#Cc2cncc(C(O)=O)c2; OC(=O)c1cncc(c1)C#
    Cc2ccccc2    		 5-(phenylethynyl)pyridine-3-carboxylic acid
    27395
    KVE
    CHEMBL3770888
    ZINC000653708035    		 1 C19 H19 N O5 S InChI=1S/C19H19NO5S/c21-8
    -14-15(22)16(23)17(24)18(
    25-14)19-20-13(9-26-19)12
    -6-5-10-3-1-2-4-11(10)7-1
    2/h1-7,9,14-18,21-24H,8H2
    /t14-,15-,16+,17-,18-/m1/
    s1;
    NRPWZWOXDUROHO-UYTYNIKBSA-N    		 c1ccc2cc(ccc2c1)c3csc(n3)[C@H]4[C@@H]([C
    @H]([C@@H]([C@H](O4)CO)O)O)O; OC[C@H]1O[
    C@H]([C@H](O)[C@@H](O)[C@@H]1O)c2scc(n2)
    c3ccc4ccccc4c3; c1ccc2cc(ccc2c1)c3csc(n3
    )C4C(C(C(C(O4)CO)O)O)O; OC[CH]1O[CH]([CH
    ](O)[CH](O)[CH]1O)c2scc(n2)c3ccc4ccccc4c
    3    		 (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(4-naphthalen-2-yl-1,3-thiazol-2-yl)oxane-3,4,5-triol
    27396
    KVF    		 1 C15 H16 Cl N3 O InChI=1S/C15H16ClN3O/c1-3
    -13(11-5-4-6-12(16)7-11)1
    5(20)19-14-9-18-17-8-10(1
    4)2/h4-9,13H,3H2,1-2H3,(H
    ,17,19,20)/t13-/m0/s1;
    AATSBPIJUYIMKX-ZDUSSCGKSA-N    		 CC[CH](C(=O)Nc1cnncc1C)c2cccc(Cl)c2; CC[
    C@@H](c1cccc(c1)Cl)C(=O)Nc2cnncc2C; CCC(
    c1cccc(c1)Cl)C(=O)Nc2cnncc2C; Cc1cnncc1N
    C(=O)C(CC)c1cccc(Cl)c1; CC[C@H](C(=O)Nc1
    cnncc1C)c2cccc(Cl)c2    		 (2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
    27397
    KVH
    CHEMBL4648992    		 1 C19 H19 N O5 S InChI=1S/C19H19NO5S/c21-8
    -14-15(22)16(23)17(24)18(
    25-14)13-9-26-19(20-13)12
    -6-5-10-3-1-2-4-11(10)7-1
    2/h1-7,9,14-18,21-24H,8H2
    /t14-,15-,16+,17-,18+/m1/
    s1;
    FZKCJLOBYMCTSR-SFFUCWETSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O
    )c2csc(n2)c3ccc4ccccc4c3; c1ccc2cc(ccc2c
    1)c3nc(cs3)[C@H]4[C@@H]([C@H]([C@@H]([C@
    H](O4)CO)O)O)O; c1ccc2cc(ccc2c1)c3nc(cs3
    )C4C(C(C(C(O4)CO)O)O)O; OC[CH]1O[CH]([CH
    ](O)[CH](O)[CH]1O)c2csc(n2)c3ccc4ccccc4c
    3    		 (2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(2-naphthalen-2-yl-1,3-thiazol-4-yl)oxane-3,4,5-triol
    27398
    KVI
    ZINC000098209091    		 2 C36 H66 N10 O9 InChI=1S/C36H66N10O9/c1-7
    -10-13-23(32(52)45-26(16-
    17-28(37)50)33(53)44-25(3
    1(38)51)15-12-18-41-36(39
    )40)19-27(49)24(14-11-8-2
    )43-34(54)29(20(4)9-3)46-
    35(55)30(21(5)47)42-22(6)
    48/h20-21,23-26,29-30,47H
    ,7-19H2,1-6H3,(H2,37,50)(
    H2,38,51)(H,42,48)(H,43,5
    4)(H,44,53)(H,45,52)(H,46
    ,55)(H4,39,40,41)/t20-,21
    +,23+,24-,25-,26-,29-,30-
    /m0/s1;
    ARYLRJRVHGPIHO-XPRREXDTSA-N    		 [H]/N=C(/N)\NCCC[C@@H](C(=O)N)NC(=O)[C@H
    ](CCC(=O)N)NC(=O)[C@H](CCCC)CC(=O)[C@H](
    CCCC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]
    ([C@@H](C)O)NC(=O)C; CCCCC(CC(=O)C(CCCC)
    NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C)C(=
    O)NC(CCC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)N;
    CCCC[C@H](CC(=O)[C@H](CCCC)NC(=O)[C@@H]
    (NC(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@@H](
    C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](
    CCCNC(N)=N)C(N)=O; O=C(NC(C(=O)NC(C(=O)C
    C(C(=O)NC(C(=O)NC(C(=O)N)CCCNC(=[N@H])N)
    CCC(=O)N)CCCC)CCCC)C(C)CC)C(NC(=O)C)C(O)
    C; CCCC[CH](CC(=O)[CH](CCCC)NC(=O)[CH](N
    C(=O)[CH](NC(C)=O)[CH](C)O)[CH](C)CC)C(=
    O)N[CH](CCC(N)=O)C(=O)N[CH](CCCNC(N)=N)C
    (N)=O
    27399
    KVJ    		 1 C18 H20 F3 N7 O4 InChI=1S/C18H20F3N7O4/c1-
    9-12(8-29)28(17(30)32-9)1
    3-6-11(24-16(25-13)27-2-4
    -31-5-3-27)10-7-23-15(22)
    26-14(10)18(19,20)21/h6-7
    ,9,12,29H,2-5,8H2,1H3,(H2
    ,22,23,26)/t9-,12+/m1/s1;
    IEYOHYVYEJVEJJ-SKDRFNHKSA-N    		 C[C@H]1OC(=O)N([C@H]1CO)c2cc(nc(n2)N3CCO
    CC3)c4cnc(N)nc4C(F)(F)F; C[C@@H]1[C@@H](
    N(C(=O)O1)c2cc(nc(n2)N3CCOCC3)c4cnc(nc4C
    (F)(F)F)N)CO; CC1C(N(C(=O)O1)c2cc(nc(n2)
    N3CCOCC3)c4cnc(nc4C(F)(F)F)N)CO; FC(F)(F
    )c1nc(N)ncc1c1nc(nc(c1)N1C(=O)OC(C)C1CO)
    N1CCOCC1; C[CH]1OC(=O)N([CH]1CO)c2cc(nc(
    n2)N3CCOCC3)c4cnc(N)nc4C(F)(F)F    		 (4S,5R)-3-[2'-amino-2-(morpholin-4-yl)-4'-(trifluoromethyl)[4,5'-bipyrimidin]-6-yl]-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
    27400
    KVK    		 3 C21 H28 N4 O5 S2 InChI=1S/C21H28N4O5S2/c1-
    15(2)25-21(26)19(20(32(25
    ,29)30)16-9-4-3-5-10-16)2
    3-14-7-6-11-17-12-8-13-18
    (24-17)31(22,27)28/h3-5,8
    -10,12-13,15,21,23,26H,6-
    7,11,14H2,1-2H3,(H2,22,27
    ,28)/t21-/m0/s1;
    VNMXCAMPCSTLPS-NRFANRHFSA-N    		 CC(C)N1[CH](O)C(=C(c2ccccc2)[S]1(=O)=O)N
    CCCCc3cccc(n3)[S](N)(=O)=O; CC(C)N1C(C(=
    C(S1(=O)=O)c2ccccc2)NCCCCc3cccc(n3)S(=O)
    (=O)N)O; CC(C)N1[C@@H](O)C(=C(c2ccccc2)[
    S]1(=O)=O)NCCCCc3cccc(n3)[S](N)(=O)=O    		 6-[4-[[3-oxidanyl-1,1-bis(oxidanylidene)-5-phenyl-2-propan-2-yl-3~{H}-1,2-thiazol-4-yl]amino]butyl]pyridine-2-sulfonamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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