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

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    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    49401
    ZMT
    CHEMBL1450990
    ZINC000000386318    		 1 C9 H11 N5 O S InChI=1S/C9H11N5OS/c1-2-5
    -14-9(11-12-13-14)10-8(15
    )7-4-3-6-16-7/h3-4,6H,2,5
    H2,1H3,(H,10,11,13,15);
    QNTKHVXKWRFNIW-UHFFFAOYSA-N    		 CCCn1nnnc1NC(=O)c2sccc2; CCCn1c(nnn1)NC(
    =O)c2cccs2    		 ~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide
    49402
    ZMV
    CHEMBL5178175    		 4 C66 H84 Cl2 F2 N14 O12 S2 InChI=1S/C66H84Cl2F2N14O1
    2S2/c1-41-39-71-63(79-59(
    41)73-47-11-15-51(67)55(3
    7-47)81-97(89,90)65(3,4)5
    )77-45-9-13-49(53(69)35-4
    5)61(87)75-43-17-23-83(24
    -18-43)57(85)21-27-93-29-
    31-95-33-34-96-32-30-94-2
    8-22-58(86)84-25-19-44(20
    -26-84)76-62(88)50-14-10-
    46(36-54(50)70)78-64-72-4
    0-42(2)60(80-64)74-48-12-
    16-52(68)56(38-48)82-98(9
    1,92)66(6,7)8/h9-16,35-40
    ,43-44,81-82H,17-34H2,1-8
    H3,(H,75,87)(H,76,88)(H2,
    71,73,77,79)(H2,72,74,78,
    80);
    AMHWRJBEKUEFFO-UHFFFAOYSA-N    		 Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C
    )Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)C
    COCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(
    cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C
    (C)(C)C)Cl)C; Cc1cnc(Nc2ccc(c(F)c2)C(=O)
    NC3CCN(CC3)C(=O)CCOCCOCCOCCOCCC(=O)N4CCC
    (CC4)NC(=O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(
    N[S](=O)(=O)C(C)(C)C)c7)n6)cc5F)nc1Nc8cc
    c(Cl)c(N[S](=O)(=O)C(C)(C)C)c8; CC(C)(C)
    S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc
    (c(F)c1)C(=O)NC1CCN(CC1)C(=O)CCOCCOCCOCC
    OCCC(=O)N1CCC(NC(=O)c2ccc(Nc3nc(Nc4ccc(C
    l)c(NS(=O)(=O)C(C)(C)C)c4)c(C)cn3)cc2F)C
    C1    		 N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
    49403
    ZMW
    ZINC000014136244    		 1 C17 H19 N3 O3 InChI=1S/C17H19N3O3/c21-1
    6(15-7-4-12-23-15)19-8-10
    -20(11-9-19)17(22)18-13-1
    4-5-2-1-3-6-14/h1-7,12H,8
    -11,13H2,(H,18,22);
    QWLFDMKGVVLROL-UHFFFAOYSA-N    		 c1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)c3ccco3;
    O=C(N1CCN(CC1)C(=O)NCc1ccccc1)c1ccco1;
    O=C(NCc1ccccc1)N2CCN(CC2)C(=O)c3occc3    		 N-benzyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
    49404
    ZMX
    ZINC000012767884    		 1 C28 H24 N4 O3 InChI=1S/C28H24N4O3/c1-18
    -13-15-20(16-14-18)24-17-
    29-27(35-24)23-12-8-7-11-
    22(23)26(33)30-25-19(2)31
    (3)32(28(25)34)21-9-5-4-6
    -10-21/h4-17H,1-3H3,(H,30
    ,33);
    MWAFTVRXNXVJSM-UHFFFAOYSA-N    		 CN1N(C(=O)C(=C1C)NC(=O)c2ccccc2c3oc(cn3)
    c4ccc(C)cc4)c5ccccc5; CC=1N(C)N(c2ccccc2
    )C(=O)C=1NC(=O)c1ccccc1c1ncc(o1)c1ccc(C)
    cc1; Cc1ccc(cc1)c2cnc(o2)c3ccccc3C(=O)NC
    4=C(N(N(C4=O)c5ccccc5)C)C    		 (2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
    49405
    ZMY    		 1 C26 H20 F6 N6 O2 InChI=1S/C26H20F6N6O2/c1-
    25(28,29)11-37-10-13-6-20
    (26(30,31)32)33-7-15(13)1
    7-9-35-24(38-12-36-21(22(
    17)38)23(37)39)34-8-16-14
    -4-5-40-19(14)3-2-18(16)2
    7/h2-3,6-7,9,12H,4-5,8,10
    -11H2,1H3,(H,34,35);
    VDAXDVLAEBLTFM-UHFFFAOYSA-N    		 FC(F)(F)c1ncc2c3cnc(NCc4c(F)ccc5OCCc45)n
    4cnc(c34)C(=O)N(CC(C)(F)F)Cc2c1; CC(CN1C
    c2cc(ncc2-c3cnc(n4c3c(nc4)C1=O)NCc5c(ccc
    6c5CCO6)F)C(F)(F)F)(F)F; CC(F)(F)CN1Cc2c
    c(ncc2c3cnc(NCc4c(F)ccc5OCCc45)n6cnc(C1=
    O)c36)C(F)(F)F    		 (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one
    49406
    ZN
    CHEMBL1236970
    DB14532    		 77318 Zn InChI=1S/Zn/q+2;
    PTFCDOFLOPIGGS-UHFFFAOYSA-N    		 [Zn++]; [Zn+2] ZINC ION
    49407
    ZN0
    ZINC000195751443    		 2 C6 H15 Cl Sn InChI=1S/3C2H5.ClH.Sn/c3*
    1-2;;/h3*1H2,2H3;1H;/q;;;
    ;+1/p-1;
    PIMYDFDXAUVLON-UHFFFAOYSA-M    		 CC[Sn](Cl)(CC)CC; CC[Sn](CC)(CC)Cl Triethyltin chloride
    49408
    ZN1
    CHEMBL5188470    		 8 C64 H82 Cl F2 N15 O11 S2 InChI=1S/C64H82ClF2N15O11
    S2/c1-39-37-70-61(78-56(3
    9)72-46-11-14-51(65)54(36
    -46)81-95(89,90)64(6,7)8)
    76-44-10-13-50(53(67)35-4
    4)60(86)75-43-17-23-82(24
    -18-43)55(83)19-25-91-27-
    29-93-30-28-92-26-22-69-5
    8(84)41-31-47(33-48(32-41
    )80-94(87,88)63(3,4)5)73-
    57-40(2)38-71-62(79-57)77
    -45-9-12-49(52(66)34-45)5
    9(85)74-42-15-20-68-21-16
    -42/h9-14,31-38,42-43,68,
    80-81H,15-30H2,1-8H3,(H,6
    9,84)(H,74,85)(H,75,86)(H
    2,70,72,76,78)(H2,71,73,7
    7,79);
    DPQKUYBPPCXREN-UHFFFAOYSA-N    		 Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C
    )Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)C
    COCCOCCOCCNC(=O)c5cc(cc(c5)NS(=O)(=O)C(C
    )(C)C)Nc6c(cnc(n6)Nc7ccc(c(c7)F)C(=O)NC8
    CCNCC8)C; CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)
    Nc1nc(ncc1C)Nc1ccc(c(F)c1)C(=O)NC1CCN(CC
    1)C(=O)CCOCCOCCOCCNC(=O)c1cc(Nc2nc(Nc3cc
    c(C(=O)NC4CCNCC4)c(F)c3)ncc2C)cc(NS(=O)(
    =O)C(C)(C)C)c1; Cc1cnc(Nc2ccc(c(F)c2)C(=
    O)NC3CCN(CC3)C(=O)CCOCCOCCOCCNC(=O)c4cc(
    Nc5nc(Nc6ccc(c(F)c6)C(=O)NC7CCNCC7)ncc5C
    )cc(N[S](=O)(=O)C(C)(C)C)c4)nc1Nc8ccc(Cl
    )c(N[S](=O)(=O)C(C)(C)C)c8    		 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide
    49409
    ZN2
    CHEMBL1236970
    DB14532    		 0 Zn InChI=1/Zn/q+2;
    PTFCDOFLOPIGGS-UHFFFAOYAK    		 [Zn++]; [Zn+2] ZINC ION ON 3-FOLD CRYSTAL AXIS
    49410
    ZN3    		 0 H2 O Zn InChI=1/H2O.Zn/h1H2;/q;+2
    /rH2OZn/c1-2/h1H2/q+2;
    ZQCBNXKMJXYCKX-TWYXQZJZAD    		 [OH2][Zn+2]; O|[Zn++] ZINC ION, 1 WATER COORDINATED
    49411
    ZN4
    CHEMBL3087808    		 2 C13 H21 Cl N2 O2 S InChI=1S/C13H21ClN2O2S/c1
    -3-16(4-2)10-9-15-19(17,1
    8)11-12-5-7-13(14)8-6-12/
    h5-8,15H,3-4,9-11H2,1-2H3;
    MKQJIDUAXALKCV-UHFFFAOYSA-N    		 Clc1ccc(cc1)CS(=O)(=O)NCCN(CC)CC; CCN(CC
    )CCNS(=O)(=O)Cc1ccc(cc1)Cl; CCN(CC)CCN[S
    ](=O)(=O)Cc1ccc(Cl)cc1    		 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
    49412
    ZN5
    ZINC000195761291    		 1 C2 H6 Br2 Sn InChI=1S/2CH3.2BrH.Sn/h2*
    1H3;2*1H;/q;;;;+2/p-2;
    DOHQOGRRQASQAR-UHFFFAOYSA-L    		 C[Sn](C)(Br)Br Dimethyltin dibromide
    49413
    ZN6
    ZINC000195768219    		 2 C4 H10 Cl2 Sn InChI=1S/2C2H5.2ClH.Sn/c2
    *1-2;;;/h2*1H2,2H3;2*1H;/
    q;;;;+2/p-2;
    YFAXVVMIXZAKSR-UHFFFAOYSA-L    		 CC[Sn](CC)(Cl)Cl; CC[Sn](Cl)(Cl)CC Diethyltin dichloride
    49414
    ZN7    		 2 C4 H10 Br2 Pb InChI=1S/2C2H5.2BrH.Pb/c2
    *1-2;;;/h2*1H2,2H3;2*1H;/
    q;;;;+2/p-2;
    NLGLCLGKFLUNCK-UHFFFAOYSA-L    		 CC[Pb](Br)(Br)CC; CC[Pb](CC)(Br)Br DIETHYLLEAD DIBROMIDE
    49415
    ZN8
    ZINC000169743040    		 1 C3 H9 Cl Sn InChI=1S/3CH3.ClH.Sn/h3*1
    H3;1H;/q;;;;+1/p-1;
    KWTSZCJMWHGPOS-UHFFFAOYSA-M    		 C[Sn](C)(C)Cl Trimethyltin chloride
    49416
    ZN9    		 1 C3 H9 Br Pb InChI=1S/3CH3.BrH.Pb/h3*1
    H3;1H;/q;;;;+1/p-1;
    WJDCKJMILIJQRF-UHFFFAOYSA-M    		 C[Pb](C)(C)Br Trimethyllead bromide
    49417
    ZNA    		 2 C21 H28 N7 O13 P2 S InChI=1S/C21H27N7O13P2S/c
    22-17-12-19(25-7-24-17)28
    (8-26-12)20-15(31)13(29)1
    0(40-20)5-38-42(34,35)41-
    43(36,37)39-6-11-14(30)16
    (32)21(44-11)27-3-1-2-9(4
    -27)18(23)33/h1-4,7-8,10-
    11,13-16,20-21,29-32H,5-6
    H2,(H5-,22,23,24,25,33,34
    ,35,36,37)/p+1/t10-,11-,1
    3-,14-,15-,16-,20-,21-/m1
    /s1;
    YLEHCOOOOOOSDX-NNYOXOHSSA-O    		 NC(=O)c1ccc[n+](c1)[CH]2S[CH](CO[P](O)(=
    O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)
    n4cnc5c(N)ncnc45)[CH](O)[CH]2O; c1cc(c[n
    +](c1)[C@H]2[C@@H]([C@@H]([C@H](S2)COP(=
    O)(O)OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H
    ](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N; Nc1n
    cnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2SC
    ([n+]3cc(ccc3)C(N)=O)C(O)C2O)C(O)C1O; NC
    (=O)c1ccc[n+](c1)[C@@H]2S[C@H](CO[P](O)(
    =O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@
    @H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O;
    c1cc(c[n+](c1)C2C(C(C(S2)COP(=O)(O)OP(=
    O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O)O
    )C(=O)N    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)thiolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
    49418
    ZNB    		 1 C22 H25 Br N14 O7 S InChI=1S/C22H25BrN14O7S/c
    23-21-33-9-15(24)28-4-30-
    17(9)36(21)19-13(41)11(39
    )6(43-19)1-27-8(38)3-45-2
    2-34-10-16(25)29-5-31-18(
    10)37(22)20-14(42)12(40)7
    (44-20)2-32-35-26/h4-7,11
    -14,19-20,39-42H,1-3H2,(H
    ,27,38)(H2,24,28,30)(H2,2
    5,29,31)/t6-,7-,11-,12-,1
    3-,14-,19-,20-/m1/s1;
    WFFKQQMGOXMIGR-ZOUOOXKVSA-N    		 c1nc(c2c(n1)n(c(n2)SCC(=O)NCC3C(C(C(O3)n
    4c5c(c(ncn5)N)nc4Br)O)O)C6C(C(C(O6)CN=[N
    +]=[N-])O)O)N; c1nc(c2c(n1)n(c(n2)SCC(=O
    )NC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c5c(c(
    ncn5)N)nc4Br)O)O)[C@H]6[C@@H]([C@@H]([C@
    H](O6)CN=[N+]=[N-])O)O)N; Nc1ncnc2n([CH]
    3O[CH](CNC(=O)CSc4nc5c(N)ncnc5n4[CH]6O[C
    H](CN=[N+]=[N-])[CH](O)[CH]6O)[CH](O)[CH
    ]3O)c(Br)nc12; Nc1ncnc2n([C@@H]3O[C@H](C
    NC(=O)CSc4nc5c(N)ncnc5n4[C@@H]6O[C@H](CN
    =[N+]=[N-])[C@@H](O)[C@H]6O)[C@@H](O)[C@
    H]3O)c(Br)nc12; OC1C(O)C(C\N=[N+]=[N-])O
    C1n1c2ncnc(N)c2nc1SCC(=O)NCC1OC(n2c(Br)n
    c3c(N)ncnc32)C(O)C1O    		 2-[6-azanyl-9-[(2R,3R,4S,5R)-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]sulfanyl-N-[[(2R,3S,4R,5R)-5-(6-azanyl-8-bromanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]ethanamide
    49419
    ZNC
    CHEMBL5274616    		 2 C21 H23 N3 InChI=1S/C21H23N3/c1-2-6-
    17(7-3-1)8-5-13-24-14-10-
    18(11-15-24)20-16-23-21-1
    9(20)9-4-12-22-21/h1-4,6-
    7,9-10,12,16H,5,8,11,13-1
    5H2,(H,22,23);
    IWLWNPOFKPUZCM-UHFFFAOYSA-N    		 C(CN1CCC(=CC1)c2c[nH]c3ncccc23)Cc4ccccc4
    ; c1ccc(cc1)CCCN2CCC(=CC2)c3c[nH]c4c3ccc
    n4; C(CCN1CC=C(CC1)c1c[NH]c2ncccc21)c1cc
    ccc1    		 3-[1-(3-phenylpropyl)-1,2,3,6-tetrahydropyridin-4-yl]-1H-pyrrolo[2,3-b]pyridine
    49420
    ZND    		 2 C30 H28 N4 O4 Zn InChI=1S/C30H30N4O4.Zn/c1
    -15-9-20-12-25-17(3)21(5-
    7-29(35)36)27(33-25)14-28
    -22(6-8-30(37)38)18(4)26(
    34-28)13-24-16(2)10-19(32
    -24)11-23(15)31-20;/h9-14
    H,5-8H2,1-4H3,(H4,31,32,3
    3,34,35,36,37,38);/q;+2/p
    -2/b19-11-,20-12-,23-11-,
    24-13-,25-12-,26-13-,27-1
    4-,28-14-;;
    AWLDATKNAASRNV-RWRCOHKGSA-L    		 CC1=CC2=NC1=Cc3n4[Zn][N]5C(=CC6=NC(=Cc4c
    (CCC(O)=O)c3C)C(=C6C)CCC(O)=O)C=C(C)C5=C
    2; CC1=CC2=NC1=Cc3n4[Zn][N@@]5C(=CC6=NC(
    =Cc4c(CCC(O)=O)c3C)C(=C6C)CCC(O)=O)C=C(C
    )C5=C2; Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=
    [N]4[Zn]36[N]7=C(C=C(C7=C2)C)C=C8N6C(=C5
    )C=C8C)C)CCC(=O)O; O=C(O)CCc1c(c2C=C5C(=
    CC=4C=C7C(=CC6=CC8=N3C(=Cc1n2[Zn]3(N=45)
    N67)C(=C8C)CCC(=O)O)C)C)C    		 Zinc (II) Deuteroporphyrin IX
    49421
    ZNE    		 1 C28 H41 N O3 S InChI=1S/C28H41NO3S/c1-18
    (6-4-8-25(31)27-29-14-15-
    33-27)23-11-12-24-20(7-5-
    13-28(23,24)3)9-10-21-16-
    22(30)17-26(32)19(21)2/h9
    -10,14-15,18,22-26,30-32H
    ,2,4-8,11-13,16-17H2,1,3H
    3/b20-9+,21-10-/t18-,22-,
    23-,24+,25?,26+,28-/m1/s1;
    AZVJHDPZXYTKQV-LCRUICLWSA-N    		 C[CH](CCC[CH](O)c1sccn1)[CH]2CC[CH]3C(CC
    C[C]23C)=CC=C4C[CH](O)C[CH](O)C4=C; C[C@
    H](CCCC(c1nccs1)O)[C@H]2CC[C@@H]\3[C@@]2
    (CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)
    C; CC(CCCC(c1nccs1)O)C2CCC3C2(CCCC3=CC=C
    4CC(CC(C4=C)O)O)C; C[C@H](CCC[C@H](O)c1s
    ccn1)[C@H]2CC[C@H]3C(/CCC[C@]23C)=C/C=C4
    /C[C@@H](O)C[C@H](O)C4=C    		 (1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,5S)-5-hydroxy-1-methyl-5-(1,3-thiazol-2-yl)pentyl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol
    49422
    ZNF    		 1 C20 H28 Cl F N4 O2 InChI=1S/C20H28ClFN4O2/c1
    -13-10-26(11-14(2)24(13)3
    )20(28)25-8-4-5-15(12-25)
    19(27)23-16-6-7-17(21)18(
    22)9-16/h6-7,9,13-15H,4-5
    ,8,10-12H2,1-3H3,(H,23,27
    )/t13-,14+,15-/m0/s1;
    GQUONMSREALCFW-ZNMIVQPWSA-N    		 C[C@@H]1CN(C[C@@H](N1C)C)C(=O)N2CCC[C@@H
    ](C2)C(=O)Nc3ccc(c(c3)F)Cl; CC1CN(CC(N1C
    )C)C(=O)N2CCCC(C2)C(=O)Nc3ccc(c(c3)F)Cl;
    C[C@H]1CN(C[C@@H](C)N1C)C(=O)N2CCC[C@@H
    ](C2)C(=O)Nc3ccc(Cl)c(F)c3; CC1CN(CC(C)N
    1C)C(=O)N1CCCC(C1)C(=O)Nc1ccc(Cl)c(F)c1;
    C[CH]1CN(C[CH](C)N1C)C(=O)N2CCC[CH](C2)
    C(=O)Nc3ccc(Cl)c(F)c3    		 (3S)-N-(4-chloro-3-fluorophenyl)-1-[(3R,5S)-3,4,5-trimethylpiperazine-1-carbonyl]piperidine-3-carboxamide
    49423
    ZNG    		 1 C24 H15 F4 N5 O2 InChI=1S/C24H15F4N5O2/c25
    -18-3-4-19-15(5-6-35-19)1
    6(18)9-30-23-31-10-17-14-
    2-1-13(24(26,27)28)7-12(1
    4)8-29-22(34)20-21(17)33(
    23)11-32-20/h1-7,10-11H,8
    -9H2,(H,29,34)(H,30,31);
    ILIPTCWPZQIJIH-UHFFFAOYSA-N    		 c1cc-2c(cc1C(F)(F)F)CNC(=O)c3c4c2cnc(n4c
    n3)NCc5c6ccoc6ccc5F; Fc1ccc2occc2c1CNc3n
    cc4c5ccc(cc5CNC(=O)c6ncn3c46)C(F)(F)F; F
    C(F)(F)c1ccc2c3cnc(NCc4c(F)ccc5occc45)n4
    cnc(c34)C(=O)NCc2c1    		 (9aM,12aS)-12-{[(5-fluoro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,11,12a-tetraazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one
    49424
    ZNH    		 52 C34 H32 N4 O4 Zn InChI=1S/C34H34N4O4.Zn/c1
    -7-21-17(3)25-13-26-19(5)
    23(9-11-33(39)40)31(37-26
    )16-32-24(10-12-34(41)42)
    20(6)28(38-32)15-30-22(8-
    2)18(4)27(36-30)14-29(21)
    35-25;/h7-8,13-16H,1-2,9-
    12H2,3-6H3,(H4,35,36,37,3
    8,39,40,41,42);/q;+2/p-2/
    b25-13-,26-13-,27-14-,28-
    15-,29-14-,30-15-,31-16-,
    32-16-;;
    FUTVBRXUIKZACV-RGGAHWMASA-L    		 CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Zn][N@@]5C(=
    CC6=NC(=Cc4c(C)c3C=C)C(=C6C)C=C)C(=C(CCC
    (O)=O)C5=C2)C; CC1=C(CCC(O)=O)C2=NC1=Cc3
    n4[Zn][N]5C(=CC6=NC(=Cc4c(C)c3C=C)C(=C6C
    )C=C)C(=C(CCC(O)=O)C5=C2)C; Cc1c2n3c(c1C
    =C)C=C4C(=C(C5=[N]4[Zn]36[N]7=C(C=C8N6C(
    =C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)C=C)C)CCC
    (=O)O)C    		 PROTOPORPHYRIN IX CONTAINING ZN
    49425
    ZNI    		 60 C47 H60 N8 O6 S InChI=1S/C47H60N8O6S/c1-6
    -54-39-12-9-28-18-31(39)3
    3(43(54)32-19-30(22-48-42
    (32)27(2)59-5)53-16-14-52
    (15-17-53)29-10-11-29)21-
    47(3,4)26-61-46(58)36-8-7
    -13-55(51-36)45(57)37(20-
    40-49-38(28)25-62-40)50-4
    4(56)41-34-23-60-24-35(34
    )41/h9,12,18-19,22,25,27,
    29,34-37,41,51H,6-8,10-11
    ,13-17,20-21,23-24,26H2,1
    -5H3,(H,50,56)/t27-,34-,3
    5+,36-,37-,41+/m0/s1;
    NBLZKEHVVJSAAY-VLXWOFRQSA-N    		 CCn1c2ccc3cc2c(CC(C)(C)COC(=O)[C@@H]4CCC
    [N@](N4)C(=O)[C@H](Cc5scc3n5)NC(=O)[C@H]
    6[C@@H]7COC[C@H]67)c1c8cc(cnc8[C@H](C)OC
    )N9CCN(CC9)C%10CC%10; CCn1c2ccc-3cc2c(c1
    c4cc(cnc4[C@H](C)OC)N5CCN(CC5)C6CC6)CC(C
    OC(=O)[C@@H]7CCCN(N7)C(=O)[C@H](Cc8nc3cs
    8)NC(=O)C9[C@H]1[C@@H]9COC1)(C)C; CC(OC)
    c1ncc(cc1c1n(CC)c2ccc3cc2c1CC(C)(C)COC(=
    O)C1CCCN(N1)C(=O)C(Cc1nc3cs1)NC(=O)C1C2C
    OCC21)N1CCN(CC1)C1CC1; CCn1c2ccc-3cc2c(c
    1c4cc(cnc4C(C)OC)N5CCN(CC5)C6CC6)CC(COC(
    =O)C7CCCN(N7)C(=O)C(Cc8nc3cs8)NC(=O)C9C1
    C9COC1)(C)C; CCn1c2ccc3cc2c(CC(C)(C)COC(
    =O)[CH]4CCC[N](N4)C(=O)[CH](Cc5scc3n5)NC
    (=O)[CH]6[CH]7COC[CH]67)c1c8cc(cnc8[CH](
    C)OC)N9CCN(CC9)C%10CC%10    		 (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide;
    RMC-7977
    49426
    ZNJ    		 1 C33 H41 F N8 O8 S InChI=1S/C33H41FN8O8S/c1-
    18-17-36-32(39-21-5-6-24(
    25(34)16-21)30(46)38-20-9
    -11-35-12-10-20)41-28(18)
    37-22-13-19(14-23(15-22)4
    2-51(49,50)33(2,3)4)29(45
    )40-26(31(47)48)7-8-27(43
    )44/h5-6,13-17,20,26,35,4
    2H,7-12H2,1-4H3,(H,38,46)
    (H,40,45)(H,43,44)(H,47,4
    8)(H2,36,37,39,41)/t26-/m
    0/s1;
    LRKZLSYOZLJAAM-SANMLTNESA-N    		 Cc1cnc(nc1Nc2cc(cc(c2)NS(=O)(=O)C(C)(C)C
    )C(=O)NC(CCC(=O)O)C(=O)O)Nc3ccc(c(c3)F)C
    (=O)NC4CCNCC4; Cc1cnc(Nc2ccc(c(F)c2)C(=O
    )NC3CCNCC3)nc1Nc4cc(N[S](=O)(=O)C(C)(C)C
    )cc(c4)C(=O)N[C@@H](CCC(O)=O)C(O)=O; O=C
    (NC1CCNCC1)c1ccc(Nc2nc(Nc3cc(cc(NS(=O)(=
    O)C(C)(C)C)c3)C(=O)NC(CCC(=O)O)C(=O)O)c(
    C)cn2)cc1F; Cc1cnc(nc1Nc2cc(cc(c2)NS(=O)
    (=O)C(C)(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)
    O)Nc3ccc(c(c3)F)C(=O)NC4CCNCC4; Cc1cnc(N
    c2ccc(c(F)c2)C(=O)NC3CCNCC3)nc1Nc4cc(N[S
    ](=O)(=O)C(C)(C)C)cc(c4)C(=O)N[CH](CCC(O
    )=O)C(O)=O    		 N-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]benzoyl}-L-glutamic acid
    49427
    ZNL    		 1 C25 H27 N5 O3 S InChI=1S/C25H27N5O3S/c1-4
    -20(31)27-21-13-17(15-34-
    21)24(33)28-25-26-19-11-8
    -9-16(3)23(19)30(25)18-10
    -6-7-12-29(14-18)22(32)5-
    2/h4-5,8-9,11,13,15,18H,1
    -2,6-7,10,12,14H2,3H3,(H,
    27,31)(H,26,28,33)/t18-/m
    0/s1;
    DZTGCJZKRUDIGP-SFHVURJKSA-N    		 Cc1cccc2nc(NC(=O)c3csc(NC(=O)C=C)c3)n([C
    H]4CCCCN(C4)C(=O)C=C)c12; O=C(Nc1nc2cccc
    (C)c2n1C1CCCCN(C1)C(=O)C=C)c1cc(NC(=O)C=
    C)sc1; Cc1cccc2c1n(c(n2)NC(=O)c3cc(sc3)N
    C(=O)C=C)[C@H]4CCCCN(C4)C(=O)C=C; Cc1ccc
    c2nc(NC(=O)c3csc(NC(=O)C=C)c3)n([C@H]4CC
    CCN(C4)C(=O)C=C)c12; Cc1cccc2c1n(c(n2)NC
    (=O)c3cc(sc3)NC(=O)C=C)C4CCCCN(C4)C(=O)C
    =C    		 N-{7-methyl-1-[(3S)-1-(prop-2-enoyl)azepan-3-yl]-1H-benzimidazol-2-yl}-5-(prop-2-enamido)thiophene-3-carboxamide
    49428
    ZNM
    CHEMBL4650316
    DB19125    		 2 C27 H31 F5 N4 O InChI=1S/C27H31F5N4O/c1-1
    6-9-20-19-5-2-3-6-23(19)3
    4-25(20)26(36(16)14-27(31
    ,32)15-37)24-21(29)10-17(
    11-22(24)30)33-18-12-35(1
    3-18)8-4-7-28/h2-3,5-6,10
    -11,16,18,26,33-34,37H,4,
    7-9,12-15H2,1H3/t16-,26-/
    m1/s1;
    GQCXHIKRWBIQMD-AKJBCIBTSA-N    		 C[C@@H]1Cc2c3ccccc3[nH]c2[C@H](N1CC(CO)(
    F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)F; FCCCN1C
    C(C1)Nc1cc(F)c(c(F)c1)C1c2[NH]c3ccccc3c2
    CC(C)N1CC(F)(F)CO; CC1Cc2c3ccccc3[nH]c2C
    (N1CC(CO)(F)F)c4c(cc(cc4F)NC5CN(C5)CCCF)
    F; C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC
    (F)(F)CO)c4c(F)cc(NC5CN(CCCF)C5)cc4F; C[
    CH]1Cc2c([nH]c3ccccc23)[CH](N1CC(F)(F)CO
    )c4c(F)cc(NC5CN(CCCF)C5)cc4F    		 3-[(1R,3R)-1-(2,6-difluoro-4-{[1-(3-fluoropropyl)azetidin-3-yl]amino}phenyl)-3-methyl-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl]-2,2-difluoropropan-1-ol
    49429
    ZNN
    ZINC000263621041    		 1 C6 H13 N5 O InChI=1S/C6H13N5O/c7-3-1-
    2-4-9-6(12)5-10-11-8/h1-5
    ,7H2,(H,9,12);
    SISZTIABCFMEIA-UHFFFAOYSA-N    		 [N-]=[N+]=N\CC(=O)NCCCCN; C(CCNC(=O)CN=[
    N+]=[N-])CN; NCCCCNC(=O)CN=[N+]=[N-]    		 N-(4-aminobutyl)-2-azidoacetamide
    49430
    ZNO    		 0 H4 O2 Zn InChI=1/2H2O.Zn/h2*1H2;/q
    ;;+2/rH4O2Zn/c1-3-2/h1-2H
    2/q+2;
    UGZADUVQMDAIAO-LRNNFGKHAV    		 [OH2][Zn+2][OH2]; O|[Zn++]|O ZINC ION, 2 WATERS COORDINATED
    49431
    ZNP
    CHEMBL1236974
    ZINC000058649722    		 1 C10 H12 N2 O3 InChI=1S/C10H12N2O3/c11-1
    0(13)9(7-12(14)15)6-8-4-2
    -1-3-5-8/h1-5,9H,6-7H2,(H
    2,11,13)/t9-/m1/s1;
    JJVMCABGSUOHSC-SECBINFHSA-N    		 c1ccc(cc1)CC(C[N+](=O)[O-])C(=O)N; NC(=O
    )[CH](Cc1ccccc1)C[N+]([O-])=O; NC(=O)[C@
    H](Cc1ccccc1)C[N+]([O-])=O; c1ccc(cc1)C[
    C@H](C[N+](=O)[O-])C(=O)N; [O-][N+](=O)C
    C(C(=O)N)Cc1ccccc1    		 (2R)-2-benzyl-3-nitropropanamide
    49432
    ZNQ    		 1 C6 H16 O18 P4 InChI=1S/C6H16O18P4/c7-1-
    2(8)4(22-26(12,13)14)6(24
    -28(18,19)20)5(23-27(15,1
    6)17)3(1)21-25(9,10)11/h1
    -8H,(H2,9,10,11)(H2,12,13
    ,14)(H2,15,16,17)(H2,18,1
    9,20)/t1-,2-,3+,4+,5-,6-/
    m0/s1;
    MRVYFOANPDTYBY-VTJCEZEHSA-N    		 C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O
    )(O)O)OP(=O)(O)O)O)O; [C@@H]1([C@@H]([C@
    H]([C@@H]([C@H]([C@@H]1OP(=O)(O)O)OP(=O)
    (O)O)OP(=O)(O)O)OP(=O)(O)O)O)O; O[CH]1[C
    H](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O
    )[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; O[
    C@H]1[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O
    [P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@H]1O
    [P](O)(O)=O; OP(=O)(O)OC1C(OP(=O)(O)O)C(
    O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O    		 (1R,2S,3S,4R,5S,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)];
    scyllo-L-(1,2,3,4)-IP4
    49433
    ZNS    		 2 C4 H7 O7 P InChI=1S/C4H7O7P/c5-3(6)1
    -2-4(7)11-12(8,9)10/h1-2H
    2,(H,5,6)(H2,8,9,10);
    NCRLTRUGOQIEKI-UHFFFAOYSA-N    		 C(CC(=O)OP(=O)(O)O)C(=O)O; OC(=O)CCC(=O)
    O[P](O)(O)=O; O=P(O)(O)OC(=O)CCC(=O)O    		 4-oxo-4-(phosphonooxy)butanoic acid
    49434
    ZNT    		 4 C19 H23 N7 O14 P2 InChI=1S/C19H23N7O14P2/c2
    0-15-10-16(22-5-21-15)26(
    6-23-10)17-12(29)13-8(38-
    17)4-36-42(33,34)40-14-11
    (28)7(3-35-41(31,32)39-13
    )37-18(14)25-2-1-9(27)24-
    19(25)30/h1-2,5-8,11-14,1
    7-18,28-29H,3-4H2,(H,31,3
    2)(H,33,34)(H2,20,21,22)(
    H,24,27,30)/t7-,8-,11-,12
    -,13-,14-,17-,18-/m1/s1;
    QFSRDWZEQDGHEV-KPKSGTNCSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O
    [CH]5[CH](O)[CH](CO[P](O)(=O)O[CH]4[CH]3
    O)O[CH]5N6C=CC(=O)NC6=O; Nc1ncnc2n(cnc12
    )[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@@H]5[C@H
    ](O)[C@@H](CO[P](O)(=O)O[C@H]4[C@H]3O)O[
    C@H]5N6C=CC(=O)NC6=O; 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]5N6
    C=CC(=O)NC6=O)O)O)O)N; Nc1ncnc2c1ncn2C1O
    C2COP(=O)(O)OC3C(OC(COP(=O)(O)OC2C1O)C3O
    )N1C=CC(=O)NC1=O; c1nc(c2c(n1)n(cn2)C3C(
    C4C(O3)COP(=O)(OC5C(C(COP(=O)(O4)O)OC5N6
    C=CC(=O)NC6=O)O)O)O)N    		 2'3'-cUA;
    1-[(2R,5R,7R,8R,10S,12aR,14R,15R,15aS,16R)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxy-2,10-dioxooctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecin-7-yl]pyrimidine-2,4(1H,3H)-dione
    49435
    ZNU
    ZINC000100619563    		 1 C6 H17 O21 P5 InChI=1S/C6H17O21P5/c7-1-
    2(23-28(8,9)10)4(25-30(14
    ,15)16)6(27-32(20,21)22)5
    (26-31(17,18)19)3(1)24-29
    (11,12)13/h1-7H,(H2,8,9,1
    0)(H2,11,12,13)(H2,14,15,
    16)(H2,17,18,19)(H2,20,21
    ,22)/t1-,2-,3-,4+,5-,6-/m
    0/s1;
    CTPQAXVNYGZUAJ-CNWJWELYSA-N    		 [C@H]1([C@H](C([C@H]([C@H](C1O)OP(=O)(O)
    O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O
    )(O)O; O[C@H]1[C@H](O[P](O)(O)=O)[C@@H](
    O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O
    [P](O)(O)=O)[C@H]1O[P](O)(O)=O; C1(C(C(C
    (C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP
    (=O)(O)O)OP(=O)(O)O)O; O[CH]1[CH](O[P](O
    )(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)
    =O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O;
    OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(
    O)C(OP(=O)(O)O)C1OP(=O)(O)O    		 (1S,2R,3S,4S,5S,6S)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)];
    myo-(1OH)IP5
    49436
    ZNV
    ZINC000002548198    		 1 C9 H9 F O InChI=1S/C9H9FO/c1-2-7-11
    -9-6-4-3-5-8(9)10/h2-6H,1
    ,7H2;
    MABBMHBZKPIFFV-UHFFFAOYSA-N    		 Fc1ccccc1OCC=C; C=CCOc1ccccc1F 1-fluoro-2-[(prop-2-en-1-yl)oxy]benzene
    49437
    ZNX    		 1 C18 H21 N3 O4 InChI=1S/C18H21N3O4/c1-13
    -3-8-16(25-13)17(22)20-9-
    11-21(12-10-20)18(23)19-1
    4-4-6-15(24-2)7-5-14/h3-8
    H,9-12H2,1-2H3,(H,19,23);
    AAELWDSJMNFYDT-UHFFFAOYSA-N    		 Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)Nc3ccc(cc3
    )OC; Cc1ccc(o1)C(=O)N1CCN(CC1)C(=O)Nc1cc
    c(OC)cc1; COc1ccc(NC(=O)N2CCN(CC2)C(=O)c
    3oc(C)cc3)cc1    		 N-(4-methoxyphenyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
    49438
    ZNY    		 0 C7 H13 N O3 InChI=1S/C7H13NO3/c1-2-11
    -5-3-6(7(9)10)8-4-5/h5-6,
    8H,2-4H2,1H3,(H,9,10)/t5-
    ,6+/m1/s1;
    UGNGLHKEESUVLW-RITPCOANSA-N    		 CCO[C@H]1CN[C@@H](C1)C(O)=O; CCO[CH]1CN[
    CH](C1)C(O)=O; CCO[C@@H]1C[C@H](NC1)C(=O
    )O; CCOC1CC(NC1)C(=O)O    		 (4R)-4-ethoxy-L-proline
    49439
    ZNZ
    ZINC000100016209    		 5 C6 H17 O21 P5 InChI=1S/C6H17O21P5/c7-1-
    2(23-28(8,9)10)4(25-30(14
    ,15)16)6(27-32(20,21)22)5
    (26-31(17,18)19)3(1)24-29
    (11,12)13/h1-7H,(H2,8,9,1
    0)(H2,11,12,13)(H2,14,15,
    16)(H2,17,18,19)(H2,20,21
    ,22)/t1-,2-,3-,4+,5-,6-/m
    1/s1;
    CTPQAXVNYGZUAJ-XCMZKKERSA-N    		 O[C@H]1[C@@H](O[P](O)(O)=O)[C@@H](O[P](O
    )(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)
    (O)=O)[C@@H]1O[P](O)(O)=O; [C@@H]1([C@H]
    (C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)
    O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O; C1(C
    (C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)
    O)OP(=O)(O)O)OP(=O)(O)O)O; O[CH]1[CH](O[
    P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O
    )(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)
    =O; OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)
    O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O    		 (1R,2R,3R,4S,5R,6R)-6-hydroxycyclohexane-1,2,3,4,5-pentayl pentakis[dihydrogen (phosphate)];
    myo-(3OH)IP5
    49440
    ZO0
    ZINC000024002916    		 2 C15 H17 F3 N4 InChI=1S/C15H17F3N4/c1-21
    -7-4-8-22(10-9-21)13-11-5
    -2-3-6-12(11)19-14(20-13)
    15(16,17)18/h2-3,5-6H,4,7
    -10H2,1H3;
    VCBLSOZPKMFKJI-UHFFFAOYSA-N    		 CN1CCCN(CC1)c2nc(nc3ccccc23)C(F)(F)F; FC
    (F)(F)c1nc3c(c(n1)N2CCCN(C)CC2)cccc3; CN
    1CCCN(CC1)c2c3ccccc3nc(n2)C(F)(F)F    		 4-(4-METHYL-1,4-DIAZEPAN-1-YL)-2-(TRIFLUOROMETHYL)QUINAZOLINE
    49441
    ZO1
    CHEMBL66551
    ZINC000002504353    		 0 C8 H5 F3 O2 InChI=1S/C8H5F3O2/c9-8(10
    ,11)6-3-1-2-5(4-6)7(12)13
    /h1-4H,(H,12,13);
    FQXQBFUUVCDIRK-UHFFFAOYSA-N    		 OC(=O)c1cccc(c1)C(F)(F)F; FC(F)(F)c1cccc
    (C=O)c1; c1cc(cc(c1)C(F)(F)F)C(=O)O    		 3-(trifluoromethyl)benzaldehyde
    49442
    ZO3    		 0 H6 O3 Zn InChI=1/3H2O.Zn/h3*1H2;/q
    ;;;+2/rH6O3Zn/c1-4(2)3/h1
    -3H2/q+2;
    FTXMHASAYZWVCS-MAMYJRRWAA    		 [OH2][Zn+2]([OH2])[OH2]; O|[Zn++](|O)|O ZINC ION, 3 WATERS COORDINATED
    49443
    ZO4    		 16 C24 H30 Cl N3 O5 InChI=1S/C24H30ClN3O5/c1-
    13(2)14-6-5-7-15(10-14)24
    (3,4)28-23(32)26-16-8-9-1
    7(25)18(11-16)27-22-21(31
    )20(30)19(29)12-33-22/h5-
    11,19-22,27,29-31H,1,12H2
    ,2-4H3,(H2,26,28,32)/t19-
    ,20-,21-,22-/m1/s1;
    AFRUCARRYXUVSH-GXRSIYKFSA-N    		 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2
    )N[C@H]3[C@@H]([C@@H]([C@@H](CO3)O)O)O)C
    l; C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC
    2OCC(O)C(O)C2O)c(Cl)cc1; CC(=C)c1cccc(c1
    )C(C)(C)NC(=O)Nc2ccc(Cl)c(N[C@@H]3OC[C@@
    H](O)[C@@H](O)[C@H]3O)c2; CC(=C)c1cccc(c
    1)C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(CO3)
    O)O)O)Cl; CC(=C)c1cccc(c1)C(C)(C)NC(=O)N
    c2ccc(Cl)c(N[CH]3OC[CH](O)[CH](O)[CH]3O)
    c2    		 N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-ribopyranosylamine
    49444
    ZO5    		 1 C18 H19 N3 O5 InChI=1S/C18H19N3O5/c22-1
    7(15-2-1-9-24-15)20-5-7-2
    1(8-6-20)18(23)19-11-13-3
    -4-14-16(10-13)26-12-25-1
    4/h1-4,9-10H,5-8,11-12H2,
    (H,19,23);
    OROHVINEJMFCOR-UHFFFAOYSA-N    		 O=C(NCc1ccc2OCOc2c1)N3CCN(CC3)C(=O)c4occ
    c4; c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NCc3ccc
    4c(c3)OCO4; O=C(N1CCN(CC1)C(=O)NCc1ccc2O
    COc2c1)c1ccco1    		 N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
    49445
    ZO6
    ZINC000000481000    		 1 C10 H6 N2 S InChI=1S/C10H6N2S/c1-3-11
    -6-8-7(1)5-12-9-2-4-13-10
    (8)9/h1-6H;
    NKBQKUDYRMOAKU-UHFFFAOYSA-N    		 c1cncc2c1cnc3c2scc3; s1ccc2ncc3ccncc3c12
    ; n2cc1ccncc1c3sccc23    		 thieno[3,2-c][2,6]naphthyridine
    49446
    ZO7    		 16 C24 H30 Cl N3 O5 InChI=1S/C24H30ClN3O5/c1-
    13(2)14-6-5-7-15(10-14)24
    (3,4)28-23(32)26-16-8-9-1
    7(25)18(11-16)27-22-21(31
    )20(30)19(29)12-33-22/h5-
    11,19-22,27,29-31H,1,12H2
    ,2-4H3,(H2,26,28,32)/t19-
    ,20-,21+,22-/m1/s1;
    AFRUCARRYXUVSH-YUMYIRISSA-N    		 CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(c(c2
    )N[C@H]3[C@H]([C@@H]([C@@H](CO3)O)O)O)Cl
    ; C=C(C)c1cccc(c1)C(C)(C)NC(=O)Nc1cc(NC2
    OCC(O)C(O)C2O)c(Cl)cc1; CC(=C)c1cccc(c1)
    C(C)(C)NC(=O)Nc2ccc(c(c2)NC3C(C(C(CO3)O)
    O)O)Cl; CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2
    ccc(Cl)c(N[CH]3OC[CH](O)[CH](O)[CH]3O)c2
    ; CC(=C)c1cccc(c1)C(C)(C)NC(=O)Nc2ccc(Cl
    )c(N[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)
    c2    		 N-{2-chloro-5-[({2-[3-(prop-1-en-2-yl)phenyl]propan-2-yl}carbamoyl)amino]phenyl}-beta-D-arabinopyranosylamine
    49447
    ZO8
    ZINC000000481002    		 1 C10 H6 N2 S InChI=1S/C10H6N2S/c1-3-11
    -5-7-6-12-10-9(8(1)7)2-4-
    13-10/h1-6H;
    QHMIKZNQCBVQNW-UHFFFAOYSA-N    		 c1cncc2c1c3ccsc3nc2; n2cc1cnccc1c3c2scc3
    ; s1ccc2c1ncc3cnccc23    		 thieno[2,3-c][2,7]naphthyridine
    49448
    ZO9
    CHEMBL1078930
    ZINC000000053816    		 1 C13 H13 N5 O InChI=1S/C13H13N5O/c14-12
    -11(16-19-17-12)13-15-9-3
    -1-2-4-10(9)18(13)7-8-5-6
    -8/h1-4,8H,5-7H2,(H2,14,1
    7);
    LLDVRUBUBPSOMY-UHFFFAOYSA-N    		 Nc1nonc1c2nc3ccccc3n2CC4CC4; c1ccc2c(c1)
    nc(n2CC3CC3)c4c(non4)N; n1onc(N)c1c2nc4c
    (n2CC3CC3)cccc4    		 4-[1-(cyclopropylmethyl)-1H-benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
    49449
    ZOA
    CHEMBL4846275    		 1 C18 H20 N6 O4 S2 InChI=1S/C18H20N6O4S2/c1-
    3-28-17(25)14-9-20-16-15(
    10-22-24(16)11(14)2)23-18
    (29)21-8-12-4-6-13(7-5-12
    )30(19,26)27/h4-7,9-10H,3
    ,8H2,1-2H3,(H2,19,26,27)(
    H2,21,23,29);
    INPDIBARMWLENP-UHFFFAOYSA-N    		 CCOC(=O)c1cnc2c(cnn2c1C)NC(=S)NCc3ccc(cc
    3)S(=O)(=O)N; CCOC(=O)c1cnc2n(ncc2NC(=S)
    NCc3ccc(cc3)[S](N)(=O)=O)c1C; NS(=O)(=O)
    c1ccc(cc1)CNC(=S)Nc1cnn2c(C)c(cnc12)C(=O
    )OCC    		 ethyl (8R)-7-methyl-3-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)pyrazolo[1,5-a]pyrimidine-6-carboxylate
    49450
    ZOB    		 1 C22 H26 F2 N6 O5 S InChI=1S/C22H26F2N6O5S/c1
    -5-35-20-10-14(2)27-22(29
    -20)30(8-9-33-3)36(31,32)
    18-6-7-19(28-21(18)34-4)2
    6-11-15-16(23)12-25-13-17
    (15)24/h6-7,10,12-13H,5,8
    -9,11H2,1-4H3,(H,26,28);
    APXQLSSVLHYGGM-UHFFFAOYSA-N    		 CCOc1cc(C)nc(n1)N(CCOC)[S](=O)(=O)c2ccc(
    NCc3c(F)cncc3F)nc2OC; O=S(=O)(N(CCOC)c1n
    c(C)cc(OCC)n1)c1ccc(NCc2c(F)cncc2F)nc1OC
    ; CCOc1cc(nc(n1)N(CCOC)S(=O)(=O)c2ccc(nc
    2OC)NCc3c(cncc3F)F)C    		 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide
    49451
    ZOD
    ZINC000096095472    		 2 C17 H25 N5 O15 P2 InChI=1S/C17H25N5O15P2/c1
    -6(23)34-13-11(25)8(36-17
    (13)27)3-33-39(30,31)37-3
    8(28,29)32-2-7-10(24)12(2
    6)16(35-7)22-5-21-9-14(18
    )19-4-20-15(9)22/h4-5,7-8
    ,10-13,16-17,24-27H,2-3H2
    ,1H3,(H,28,29)(H,30,31)(H
    2,18,19,20)/t7-,8-,10-,11
    -,12-,13-,16-,17-/m1/s1;
    BFNOPXRXIQJDHO-QJWJOKBXSA-N    		 CC(=O)O[C@@H]1[C@@H]([C@H](O[C@H]1O)COP(
    =O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@
    H](O2)n3cnc4c3ncnc4N)O)O)O; CC(=O)OC1C(O
    )OC(C1O)COP(OP(O)(=O)OCC4OC(n2cnc3c(N)nc
    nc23)C(O)C4O)(=O)O; CC(=O)OC1C(C(OC1O)CO
    P(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3nc
    nc4N)O)O)O; CC(=O)O[CH]1[CH](O)O[CH](CO[
    P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)
    [CH]2O)n3cnc4c(N)ncnc34)[CH]1O; CC(=O)O[
    C@H]1[C@H](O)O[C@H](CO[P](O)(=O)O[P](O)(
    =O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc
    4c(N)ncnc34)[C@H]1O    		 [(2R,3R,4R,5R)-5-[[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2,4-bis(oxidanyl)oxolan-3-yl] ethanoate
    49452
    ZOE    		 5 C16 H27 N3 O5 S InChI=1S/C16H27N3O5S/c20-
    13(17-9-5-1-2-8-14(21)22)
    7-4-3-6-12-15-11(10-25(12
    )24)18-16(23)19-15/h11-12
    ,15H,1-10H2,(H,17,20)(H,2
    1,22)(H2,18,19,23)/t11-,1
    2-,15-,25-/m0/s1;
    WVGTVVXHODUEJR-XNCOPMLMSA-N    		 OC(=O)CCCCCNC(=O)CCCC[CH]1[CH]2NC(=O)N[C
    H]2C[S]1=O; C1[C@H]2[C@@H]([C@@H]([S@]1=
    O)CCCCC(=O)NCCCCCC(=O)O)NC(=O)N2; OC(=O)
    CCCCCNC(=O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2
    C[S@]1=O; C1C2C(C(S1=O)CCCCC(=O)NCCCCCC(
    =O)O)NC(=O)N2; O=S2C(C1NC(=O)NC1C2)CCCCC
    (=O)NCCCCCC(=O)O    		 6-({5-[(3aS,4S,5S,6aR)-5-oxido-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
    49453
    ZOF
    CHEMBL5936061
    ZINC000034054957    		 12 C16 H28 N4 O3 S InChI=1S/C16H28N4O3S/c17-
    16-19-11-10-24-12(15(11)2
    0-16)6-3-4-7-13(21)18-9-5
    -1-2-8-14(22)23/h11-12,15
    H,1-10H2,(H,18,21)(H,22,2
    3)(H3,17,19,20)/t11-,12-,
    15-/m0/s1;
    IAJKFHSLWUNBII-HUBLWGQQSA-N    		 OC(=O)CCCCCNC(=O)CCCC[CH]1SC[CH]2NC(=N)N
    [CH]12; O=C(O)CCCCCNC(=O)CCCCC1SCC2NC(=[
    N@H])NC12; OC(=O)CCCCCNC(=O)CCCC[C@@H]1S
    C[C@@H]2NC(=N)N[C@H]12; C1C2C(C(S1)CCCCC
    (=O)NCCCCCC(=O)O)NC(=N)N2; [H]/N=C/1\N[C
    @H]2CS[C@H]([C@H]2N1)CCCCC(=O)NCCCCCC(=O
    )O    		 6-({5-[(2E,3aS,4S,6aR)-2-iminohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexanoic acid
    49454
    ZOG
    CHEMBL5276559    		 2 C21 H21 F2 N O5 S InChI=1S/C21H21F2NO5S/c22
    -18-6-3-16(13-19(18)23)14
    -9-11-24(12-10-14)30(28,2
    9)17-4-1-15(2-5-17)20(25)
    7-8-21(26)27/h1-6,13-14H,
    7-12H2,(H,26,27);
    MCLQTWVCUVNNQM-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)CCC(=O)O)S(=O)(=O)N2CCC(CC
    2)c3ccc(c(c3)F)F; OC(=O)CCC(=O)c1ccc(cc1
    )[S](=O)(=O)N2CCC(CC2)c3ccc(F)c(F)c3; O=
    S(=O)(c1ccc(cc1)C(=O)CCC(=O)O)N1CCC(CC1)
    c1ccc(F)c(F)c1    		 4-{4-[4-(3,4-difluorophenyl)piperidine-1-sulfonyl]phenyl}-4-oxobutanoic acid
    49455
    ZOH    		 1 C18 H21 N3 O4 InChI=1S/C18H21N3O4/c1-13
    -11-20(17(22)14-7-10-25-1
    2-14)8-9-21(13)18(23)19-1
    5-3-5-16(24-2)6-4-15/h3-7
    ,10,12-13H,8-9,11H2,1-2H3
    ,(H,19,23)/t13-/m1/s1;
    FLLJHTLLVKMXOG-CYBMUJFWSA-N    		 C[C@H]1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3
    ccoc3; CC1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O
    )c3ccoc3; COc1ccc(NC(=O)N2CCN(C[C@@H]2C)
    C(=O)c3cocc3)cc1; COc1ccc(NC(=O)N2CCN(C[
    CH]2C)C(=O)c3cocc3)cc1; O=C(N1CCN(C(=O)N
    c2ccc(OC)cc2)C(C)C1)c1ccoc1    		 (2R)-4-(furan-3-carbonyl)-N-(4-methoxyphenyl)-2-methylpiperazine-1-carboxamide
    49456
    ZOI
    CHEMBL5401070    		 2 C19 H21 N5 O3 InChI=1S/C19H21N5O3/c1-24
    -10-13(12-8-17(23-18(20)2
    5)21-9-15(12)24)14-4-3-5-
    16(22-14)19(26-2)6-7-27-1
    1-19/h3-5,8-10H,6-7,11H2,
    1-2H3,(H3,20,21,23,25)/t1
    9-/m0/s1;
    LBFKCADAEOIHNK-IBGZPJMESA-N    		 Cn1cc(c2c1cnc(c2)NC(=O)N)c3cccc(n3)[C@@]
    4(CCOC4)OC; COC1(CCOC1)c1nc(ccc1)c1cn(C)
    c2cnc(NC(N)=O)cc21; CO[C@]1(CCOC1)c2cccc
    (n2)c3cn(C)c4cnc(NC(N)=O)cc34; Cn1cc(c2c
    1cnc(c2)NC(=O)N)c3cccc(n3)C4(CCOC4)OC; C
    O[C]1(CCOC1)c2cccc(n2)c3cn(C)c4cnc(NC(N)
    =O)cc34    		 N-[(3M)-3-{6-[(3R)-3-methoxyoxolan-3-yl]pyridin-2-yl}-1-methyl-1H-pyrrolo[2,3-c]pyridin-5-yl]urea
    49457
    ZOK    		 1 C13 H16 F3 N3 O3 InChI=1S/C13H16F3N3O3/c1-
    9-7-18(11(20)10-3-2-6-22-
    10)4-5-19(9)12(21)17-8-13
    (14,15)16/h2-3,6,9H,4-5,7
    -8H2,1H3,(H,17,21)/t9-/m0
    /s1;
    ZYLVNONXIHUQRE-VIFPVBQESA-N    		 C[C@@H]1CN(CCN1C(=O)NCC(F)(F)F)C(=O)c2oc
    cc2; C[C@@H]1CN(CCN1C(=O)NCC(F)(F)F)C(=O
    )c2ccco2; C[CH]1CN(CCN1C(=O)NCC(F)(F)F)C
    (=O)c2occc2; CC1CN(CCN1C(=O)NCC(F)(F)F)C
    (=O)c2ccco2; O=C(N1CCN(C(=O)NCC(F)(F)F)C
    (C)C1)c1ccco1    		 (2S)-4-(furan-2-carbonyl)-2-methyl-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
    49458
    ZOL
    CHEMBL924
    DB00399
    ZINC000003803652    		 47 C5 H10 N2 O7 P2 InChI=1S/C5H10N2O7P2/c8-5
    (15(9,10)11,16(12,13)14)3
    -7-2-1-6-4-7/h1-2,4,8H,3H
    2,(H2,9,10,11)(H2,12,13,1
    4);
    XRASPMIURGNCCH-UHFFFAOYSA-N    		 OC(Cn1ccnc1)([P](O)(O)=O)[P](O)(O)=O; O=
    P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O; c1cn(cn1
    )CC(O)(P(=O)(O)O)P(=O)(O)O    		 ZOLEDRONIC ACID;
    (1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID
    49459
    ZOM
    CHEMBL19490
    DB04828
    ZINC000000057537    		 3 C15 H14 Cl N O3 InChI=1S/C15H14ClNO3/c1-9
    -7-12(8-13(18)19)17(2)14(
    9)15(20)10-3-5-11(16)6-4-
    10/h3-7H,8H2,1-2H3,(H,18,
    19);
    ZXVNMYWKKDOREA-UHFFFAOYSA-N    		 Cn1c(CC(O)=O)cc(C)c1C(=O)c2ccc(Cl)cc2; C
    c1cc(n(c1C(=O)c2ccc(cc2)Cl)C)CC(=O)O; O=
    C(c1c(cc(n1C)CC(=O)O)C)c2ccc(Cl)cc2    		 [5-(4-chlorobenzoyl)-1,4-dimethyl-1H-pyrrol-2-yl]acetic acid;
    Zomepirac
    49460
    ZON
    CHEMBL750
    DB00909
    ZINC000000004321    		 2 C8 H8 N2 O3 S InChI=1S/C8H8N2O3S/c9-14(
    11,12)5-7-6-3-1-2-4-8(6)1
    3-10-7/h1-4H,5H2,(H2,9,11
    ,12);
    UBQNRHZMVUUOMG-UHFFFAOYSA-N    		 c1ccc2c(c1)c(no2)CS(=O)(=O)N; N[S](=O)(=
    O)Cc1noc2ccccc12; O=S(=O)(N)Cc2noc1ccccc
    12    		 1-(1,2-benzoxazol-3-yl)methanesulfonamide;
    Zonisamide
    49461
    ZOO
    CHEMBL1270835
    ZINC000064512404    		 1 C22 H19 F4 N3 O2 InChI=1S/C22H19F4N3O2/c1-
    29-19(30)22(28-21(29)27,1
    5-6-9-17(10-7-15)31-20(25
    )26)16-8-11-18(24)14(13-1
    6)5-3-2-4-12-23/h6-11,13,
    20H,2,4,12H2,1H3,(H2,27,2
    8)/t22-/m1/s1;
    ZSIZOKHLIKKQIV-JOCHJYFZSA-N    		 O=C2N(C(=NC2(c1cc(C#CCCCF)c(F)cc1)c3ccc(
    OC(F)F)cc3)N)C; CN1C(=O)C(N=C1N)(c2ccc(c
    c2)OC(F)F)c3ccc(c(c3)C#CCCCF)F; CN1C(=N[
    C](C1=O)(c2ccc(OC(F)F)cc2)c3ccc(F)c(c3)C
    #CCCCF)N; CN1C(=N[C@](C1=O)(c2ccc(OC(F)F
    )cc2)c3ccc(F)c(c3)C#CCCCF)N; CN1C(=O)[C@
    @](N=C1N)(c2ccc(cc2)OC(F)F)c3ccc(c(c3)C#
    CCCCF)F    		 (5R)-2-amino-5-[4-(difluoromethoxy)phenyl]-5-[4-fluoro-3-(5-fluoropent-1-yn-1-yl)phenyl]-3-methyl-3,5-dihydro-4H-imidazol-4-one
    49462
    ZOP
    CHEMBL496862
    ZINC000101234826    		 5 C31 H34 N4 O2 InChI=1S/C31H34N4O2/c1-3-
    34(2)31(37)24-14-17-26-27
    (20-24)33-30(36)28(26)29(
    23-10-6-4-7-11-23)32-25-1
    5-12-22(13-16-25)21-35-18
    -8-5-9-19-35/h4,6-7,10-17
    ,20,32H,3,5,8-9,18-19,21H
    2,1-2H3,(H,33,36)/b29-28-;
    MUSRTIADFPCYTQ-ZIADKAODSA-N    		 CCN(C)C(=O)c1ccc/2c(NC(=O)C/2=C(/Nc3ccc(
    CN4CCCCC4)cc3)c5ccccc5)c1; O=C(N(CC)C)c1
    cc2c(cc1)/C(C(=O)N2)=C(\c3ccccc3)Nc4ccc(
    cc4)CN5CCCCC5; CCN(C)C(=O)c1ccc2c(NC(=O)
    C2=C(Nc3ccc(CN4CCCCC4)cc3)c5ccccc5)c1; C
    CN(C)C(=O)c1ccc\2c(c1)NC(=O)/C2=C(/c3ccc
    cc3)\Nc4ccc(cc4)CN5CCCCC5; CCN(C)C(=O)c1
    ccc2c(c1)NC(=O)C2=C(c3ccccc3)Nc4ccc(cc4)
    CN5CCCCC5    		 (3Z)-N-ETHYL-N-METHYL-2-OXO-3-(PHENYL{[4-(PIPERIDIN-1-YLMETHYL)PHENYL]AMINO}METHYLIDENE)-2,3-DIHYDRO-1H-INDOLE-6-CARBOXAMIDE
    49463
    ZOQ
    CHEMBL5408759    		 2 C19 H20 N4 O3 S InChI=1S/C19H20N4O3S/c1-2
    3(2)27(25,26)14-5-3-4-13(
    8-14)16-10-20-17-11-21-18
    (9-15(16)17)22-19(24)12-6
    -7-12/h3-5,8-12,20H,6-7H2
    ,1-2H3,(H,21,22,24);
    MWLYDRPVHZEGMX-UHFFFAOYSA-N    		 CN(C)S(=O)(=O)c1cccc(c1)c2c[nH]c3c2cc(nc
    3)NC(=O)C4CC4; CN(C)[S](=O)(=O)c1cccc(c1
    )c2c[nH]c3cnc(NC(=O)C4CC4)cc23; CN(C)S(=
    O)(=O)c1cccc(c1)c1c[NH]c2cnc(cc21)NC(=O)
    C1CC1    		 N-{(3P)-3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-c]pyridin-5-yl}cyclopropanecarboxamide
    49464
    ZOT
    CHEMBL285802
    DB09225
    ZINC000000002264    		 2 C18 H18 Cl N O S InChI=1S/C18H18ClNOS/c1-2
    0(2)9-10-21-16-11-13-5-3-
    4-6-17(13)22-18-8-7-14(19
    )12-15(16)18/h3-8,11-12H,
    9-10H2,1-2H3;
    HDOZVRUNCMBHFH-UHFFFAOYSA-N    		 CN(C)CCOC1=Cc2ccccc2Sc3c1cc(cc3)Cl; CN(C
    )CCOC1=Cc2ccccc2Sc3ccc(Cl)cc13    		 2-(3-chloranylbenzo[b][1]benzothiepin-5-yl)oxy-N,N-dimethyl-ethanamine
    49465
    ZOU    		 1 C18 H21 N3 O4 InChI=1S/C18H21N3O4/c1-13
    -5-6-15(24-2)14(12-13)19-
    18(23)21-9-7-20(8-10-21)1
    7(22)16-4-3-11-25-16/h3-6
    ,11-12H,7-10H2,1-2H3,(H,1
    9,23);
    SUWVNQBVHZNJOQ-UHFFFAOYSA-N    		 O=C(N1CCN(CC1)C(=O)Nc1cc(C)ccc1OC)c1ccco
    1; Cc1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3cc
    co3)OC; COc1ccc(C)cc1NC(=O)N2CCN(CC2)C(=
    O)c3occc3    		 4-(furan-2-carbonyl)-N-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
    49466
    ZOV
    CHEMBL4441118
    ZINC000253476140    		 6 C19 H15 N5 S2 InChI=1S/C19H15N5S2/c1-10
    -5-15(24(2)23-10)12-7-21-
    19(20)17-13(8-25-18(12)17
    )11-3-4-16-14(6-11)22-9-2
    6-16/h3-9H,1-2H3,(H2,20,2
    1);
    BPKSNNJTKPIZKR-UHFFFAOYSA-N    		 Cc1cc(n(C)n1)c1cnc(N)c2c1scc2c1cc2ncsc2c
    c1; Cc1cc(n(n1)C)c2cnc(c3c2scc3c4ccc5c(c
    4)ncs5)N; Cn1nc(C)cc1c2cnc(N)c3c2scc3c4c
    cc5scnc5c4    		 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine;
    GSK'843
    49467
    ZOW    		 1 C6 H18 O24 P6 InChI=1S/C6H18O24P6/c7-1-
    2(8)4(28-36(23,24)30-34(1
    8,19)20)6(26-32(12,13)14)
    5(25-31(9,10)11)3(1)27-35
    (21,22)29-33(15,16)17/h1-
    8H,(H,21,22)(H,23,24)(H2,
    9,10,11)(H2,12,13,14)(H2,
    15,16,17)(H2,18,19,20)/t1
    -,2-,3+,4+,5-,6-/m0/s1;
    YTZCXAMBYZGQAA-VTJCEZEHSA-N    		 C1(C(C(C(C(C1OP(=O)(O)OP(=O)(O)O)OP(=O)(
    O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O)O;
    [C@@H]1([C@@H]([C@H]([C@@H]([C@H]([C@@H]
    1OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O
    )O)OP(=O)(O)OP(=O)(O)O)O)O; OP(=O)(O)OC1
    C(OP(=O)(O)OP(=O)(O)O)C(O)C(O)C(OP(=O)(O
    )OP(=O)(O)O)C1OP(=O)(O)O; O[C@H]1[C@H](O
    )[C@@H](O[P](O)(=O)O[P](O)(O)=O)[C@H](O[
    P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@H]1O[
    P](O)(=O)O[P](O)(O)=O; O[CH]1[CH](O)[CH]
    (O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O)(O)
    =O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(=O)O[P
    ](O)(O)=O    		 (1R,2S,3S,4R,5S,6S)-2,3-dihydroxy-5,6-bis(phosphonooxy)cyclohexane-1,4-diyl bis[trihydrogen (diphosphate)]
    49468
    ZOY    		 2 C21 H35 N3 O2 InChI=1S/C21H35N3O2/c22-1
    9(21(23)26)15-11-17-24-20
    (25)16-10-5-3-1-2-4-7-12-
    18-13-8-6-9-14-18/h6,8-9,
    13-14,19H,1-5,7,10-12,15-
    17,22H2,(H2,23,26)(H,24,2
    5)/t19-/m0/s1;
    PXLGZFSIHCIIGA-IBGZPJMESA-N    		 N[CH](CCCNC(=O)CCCCCCCCCc1ccccc1)C(N)=O;
    NC(=O)C(N)CCCNC(=O)CCCCCCCCCc1ccccc1; c
    1ccc(cc1)CCCCCCCCCC(=O)NCCCC(C(=O)N)N; N
    [C@@H](CCCNC(=O)CCCCCCCCCc1ccccc1)C(N)=O
    ; c1ccc(cc1)CCCCCCCCCC(=O)NCCC[C@@H](C(=
    O)N)N    		 N-[(4S)-4,5-diamino-5-oxopentyl]-10-phenyldecanamide
    49469
    ZOZ
    ZINC000096014534    		 6 C31 H52 N7 O18 P3 S InChI=1S/C31H52N7O18P3S/c
    1-4-5-6-7-8-9-19(39)14-22
    (41)60-13-12-33-21(40)10-
    11-34-29(44)26(43)31(2,3)
    16-53-59(50,51)56-58(48,4
    9)52-15-20-25(55-57(45,46
    )47)24(42)30(54-20)38-18-
    37-23-27(32)35-17-36-28(2
    3)38/h17-18,20,24-26,30,4
    2-43H,4-16H2,1-3H3,(H,33,
    40)(H,34,44)(H,48,49)(H,5
    0,51)(H2,32,35,36)(H2,45,
    46,47)/t20-,24-,25-,26+,3
    0-/m1/s1;
    AZCVXMAPLHSIKY-HSJNEKGZSA-N    		 CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@@H
    ](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@
    H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=
    O)(O)O)O; CCCCCCCC(=O)CC(=O)SCCNC(=O)CCN
    C(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C
    (C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCC
    CCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C
    (C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH
    ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn
    c23; CCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)
    [C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC
    [C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O
    )n2cnc3c(N)ncnc23    		 3-KETO-DECANOYL-COA
    49470
    ZP0    		 1 C19 H27 N3 O5 InChI=1S/C19H27N3O5/c1-19
    (2)13-26-16(12-27-19)11-2
    0-18(25)22-8-6-21(7-9-22)
    17(24)14-4-3-5-15(23)10-1
    4/h3-5,10,16,23H,6-9,11-1
    3H2,1-2H3,(H,20,25)/t16-/
    m0/s1;
    ZRUCPOGUOWXAIC-INIZCTEOSA-N    		 CC1(C)CO[C@@H](CNC(=O)N2CCN(CC2)C(=O)c3c
    ccc(O)c3)CO1; CC1(C)CO[CH](CNC(=O)N2CCN(
    CC2)C(=O)c3cccc(O)c3)CO1; CC1(COC(CO1)CN
    C(=O)N2CCN(CC2)C(=O)c3cccc(c3)O)C; Oc1cc
    cc(c1)C(=O)N1CCN(CC1)C(=O)NCC1OCC(C)(C)O
    C1; CC1(CO[C@H](CO1)CNC(=O)N2CCN(CC2)C(=
    O)c3cccc(c3)O)C    		 N-{[(2S)-5,5-dimethyl-1,4-dioxan-2-yl]methyl}-4-(3-hydroxybenzoyl)piperazine-1-carboxamide
    49471
    ZP1    		 12 C18 H31 N4 O13 P3 S InChI=1S/C18H31N4O13P3S/c
    1-4-33-36(26,27)18(25,7-5
    -15(23)24)17-22(10-13-9-2
    0-12(3)21-16(13)19)11(2)1
    4(39-17)6-8-34-38(31,32)3
    5-37(28,29)30/h9,17,25H,4
    -8,10H2,1-3H3,(H,23,24)(H
    ,26,27)(H,31,32)(H2,19,20
    ,21)(H2,28,29,30)/t17-,18
    +/m1/s1;
    XUQXUYTXDQCESE-MSOLQXFVSA-N    		 CCO[P](O)(=O)[C](O)(CCC(O)=O)[CH]1SC(=C(
    C)N1Cc2cnc(C)nc2N)CCO[P](O)(=O)O[P](O)(O
    )=O; CCOP(=O)(C(CCC(=O)O)(C1N(C(=C(S1)CC
    OP(=O)(O)OP(=O)(O)O)C)Cc2cnc(nc2N)C)O)O;
    CCO[P](O)(=O)[C@@](O)(CCC(O)=O)[C@H]1SC
    (=C(C)N1Cc2cnc(C)nc2N)CCO[P](O)(=O)O[P](
    O)(O)=O; CCOP(=O)([C@@](CCC(=O)O)([C@@H]
    1N(C(=C(S1)CCOP(=O)(O)OP(=O)(O)O)C)Cc2cn
    c(nc2N)C)O)O    		 (4~{S})-4-[(2~{R})-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-5-[2-[oxidanyl(phosphonooxy)phosphoryl]oxyethyl]-2~{H}-1,3-thiazol-2-yl]-4-[ethoxy(oxidanyl)phosphoryl]-4-oxidanyl-butanoic acid
    49472
    ZP2
    CHEMBL5408344    		 6 C14 H10 F N O6 InChI=1S/C14H10FNO6/c1-22
    -12-5-8(4-11(14(12)19)16(
    20)21)13(18)7-2-9(15)6-10
    (17)3-7/h2-6,17,19H,1H3;
    LHCGDAFIWWCKGM-UHFFFAOYSA-N    		 COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2cc(O)c
    c(F)c2; COc1cc(cc(c1O)[N+](=O)[O-])C(=O)
    c2cc(cc(c2)F)O    		 (3-fluoranyl-5-oxidanyl-phenyl)-(3-methoxy-5-nitro-4-oxidanyl-phenyl)methanone;
    Pharmacokinetically Improved TTR Binder (PITB)
    49473
    ZP4
    ZINC000263620792    		 8 C20 H28 N10 O19 P4 InChI=1S/C20H28N10O19P4/c
    1-8-3-29(20(34)26-18(8)33
    )12-2-9(27-28-22)10(45-12
    )4-43-50(35,36)47-52(39,4
    0)49-53(41,42)48-51(37,38
    )44-5-11-14(31)15(32)19(4
    6-11)30-7-25-13-16(21)23-
    6-24-17(13)30/h3,6-7,9-12
    ,14-15,19,31-32H,2,4-5H2,
    1H3,(H,35,36)(H,37,38)(H,
    39,40)(H,41,42)(H2,21,23,
    24)(H,26,33,34)/t9-,10+,1
    1+,12+,14+,15+,19+/m0/s1;
    NHJROJSMKQZWCP-SLFMBYJQSA-N    		 CC1=CN([CH]2C[CH](N=[N+]=[N-])[CH](CO[P]
    (O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)
    OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncn
    c45)O2)C(=O)NC1=O; CC1=CN([C@H]2C[C@H](N
    =[N+]=[N-])[C@@H](CO[P@](O)(=O)O[P@](O)(
    =O)O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]3O[C@
    H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)O2)
    C(=O)NC1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O2)
    COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC
    3C(C(C(O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]
    ; CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](
    O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[P@@](=O)
    (O)O[P@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@
    H](O3)n4cnc5c4ncnc5N)O)O)N=[N+]=[N-]
    49474
    ZP5    		 1 C13 H14 N4 O4 InChI=1S/C13H14N4O4/c18-1
    2(10-2-1-8-20-10)16-4-6-1
    7(7-5-16)13(19)14-11-3-9-
    21-15-11/h1-3,8-9H,4-7H2,
    (H,14,15,19);
    JFRDDDWDJJFTRC-UHFFFAOYSA-N    		 O=C(Nc1ccon1)N2CCN(CC2)C(=O)c3occc3; c1c
    c(oc1)C(=O)N2CCN(CC2)C(=O)Nc3ccon3; O=C(
    Nc1ccon1)N1CCN(CC1)C(=O)c1ccco1    		 4-(furan-2-carbonyl)-N-(1,2-oxazol-3-yl)piperazine-1-carboxamide
    49475
    ZP6
    ZINC000004029165    		 8 C22 H24 N2 O5 InChI=1S/C22H24N2O5/c25-2
    0(23-18(21(26)27)14-16-8-
    3-1-4-9-16)19-12-7-13-24(
    19)22(28)29-15-17-10-5-2-
    6-11-17/h1-6,8-11,18-19H,
    7,12-15H2,(H,23,25)(H,26,
    27)/t18-,19-/m0/s1;
    GMUYSWQSSRROPG-OALUTQOASA-N    		 OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]2CCCN2
    C(=O)OCc3ccccc3; c1ccc(cc1)CC(C(=O)O)NC(
    =O)C2CCCN2C(=O)OCc3ccccc3; c1ccc(cc1)C[C
    @@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)OCc3c
    cccc3; OC(=O)[CH](Cc1ccccc1)NC(=O)[CH]2C
    CCN2C(=O)OCc3ccccc3    		 (2S)-3-phenyl-2-[[(2S)-1-phenylmethoxycarbonylpyrrolidin-2-yl]carbonylamino]propanoic acid
    49476
    ZP7
    ZINC000032840891    		 10 C19 H38 O4 InChI=1S/C19H38O4/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-19(22)23-17-18(21)16
    -20/h18,20-21H,2-17H2,1H3
    /t18-/m0/s1;
    QHZLMUACJMDIAE-SFHVURJKSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O; CCCCCC
    CCCCCCCCCC(=O)OCC(CO)O; CCCCCCCCCCCCCCCC
    (=O)OC[CH](O)CO; CCCCCCCCCCCCCCCC(=O)OC[
    C@@H](O)CO; OCC(O)COC(=O)CCCCCCCCCCCCCCC    		 (2S)-2,3-dihydroxypropyl hexadecanoate
    49477
    ZP8
    ZINC000000555297    		 2 C9 H13 N3 O2 InChI=1S/C9H13N3O2/c10-4-
    1-8(13)12-5-2-7(3-6-12)9(
    11)14/h7H,1-3,5-6H2,(H2,1
    1,14);
    QDZGVYBBITWTIU-UHFFFAOYSA-N    		 C1CN(CCC1C(=O)N)C(=O)CC#N; NC(=O)C1CCN(C
    C1)C(=O)CC#N    		 1-(2-cyanoethanoyl)piperidine-4-carboxamide
    49478
    ZPA
    ZINC000098209670    		 2 C26 H37 N3 O11 S InChI=1S/C26H37N3O11S/c27
    -17(7-4-8-41-16-9-18(31)2
    9(25(16)37)10-13-5-2-1-3-
    6-13)28-24-22(35)21(34)20
    (33)15(40-24)12-39-26-23(
    36)19(32)14(30)11-38-26/h
    1-3,5-6,14-16,19-24,26,30
    ,32-36H,4,7-12H2,(H2,27,2
    8)/t14-,15-,16-,19+,20-,2
    1+,22-,23-,24-,26+/m1/s1;
    MKGCRBLJKRCKKQ-OGJWHHEUSA-N    		 c1ccc(cc1)CN2C(=O)CC(C2=O)SCCCC(=N)NC3C(
    C(C(C(O3)COC4C(C(C(CO4)O)O)O)O)O)O; O[CH
    ]1CO[CH](OC[CH]2O[CH](NC(=N)CCCS[CH]3CC(
    =O)N(Cc4ccccc4)C3=O)[CH](O)[CH](O)[CH]2O
    )[CH](O)[CH]1O; O=C3N(C(=O)CC3SCCCC(=[N@
    H])NC2OC(COC1OCC(O)C(O)C1O)C(O)C(O)C2O)C
    c4ccccc4; O[C@@H]1CO[C@@H](OC[C@H]2O[C@@
    H](NC(=N)CCCS[C@@H]3CC(=O)N(Cc4ccccc4)C3
    =O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@
    H]1O; [H]/N=C(/CCCS[C@@H]1CC(=O)N(C1=O)C
    c2ccccc2)\N[C@H]3[C@@H]([C@H]([C@@H]([C@
    H](O3)CO[C@H]4[C@@H]([C@H]([C@@H](CO4)O)
    O)O)O)O)O    		 4-(N-benzylsuccinimide-3-sulfanyl)-N-(6-O-beta-D-xylopyranosyl-beta-D-glucopyranosyl)butylamidine;
    4-[(3R)-2,5-bis(oxidanylidene)-1-(phenylmethyl)pyrrolidin-3-yl]sulfanyl-N-[(2R,3R,4S,5S,6R)-3,4,5-tris(oxidanyl)-6-[[(2 S,3R,4S,5R)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]oxan-2-yl]butanimidamide
    49479
    ZPB    		 1 C13 H19 N3 O2 S InChI=1S/C13H19N3O2S/c1-1
    0(2)14-13(18)16-7-5-15(6-
    8-16)12(17)11-4-3-9-19-11
    /h3-4,9-10H,5-8H2,1-2H3,(
    H,14,18);
    HUNNMXFWKHWRFU-UHFFFAOYSA-N    		 CC(C)NC(=O)N1CCN(CC1)C(=O)c2sccc2; CC(C)
    NC(=O)N1CCN(CC1)C(=O)c2cccs2; O=C(N1CCN(
    CC1)C(=O)NC(C)C)c1cccs1    		 N-(propan-2-yl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
    49480
    ZPC
    CHEMBL250053
    ZINC000019632839    		 20 C17 H17 Cl N6 O3 InChI=1S/C17H17ClN6O3/c1-
    22-6-8-23(9-7-22)17(26)27
    -16-14-13(19-4-5-20-14)15
    (25)24(16)12-3-2-11(18)10
    -21-12/h2-5,10,16H,6-9H2,
    1H3/t16-/m1/s1;
    GBBSUAFBMRNDJC-MRXNPFEDSA-N    		 CN1CCN(CC1)C(=O)OC2c3c(nccn3)C(=O)N2c4cc
    c(cn4)Cl; O=C(OC3c1nccnc1C(=O)N3c2ncc(Cl
    )cc2)N4CCN(C)CC4; CN1CCN(CC1)C(=O)O[CH]2
    N(C(=O)c3nccnc23)c4ccc(Cl)cn4; CN1CCN(CC
    1)C(=O)O[C@@H]2c3c(nccn3)C(=O)N2c4ccc(cn
    4)Cl; CN1CCN(CC1)C(=O)O[C@H]2N(C(=O)c3nc
    cnc23)c4ccc(Cl)cn4    		 (5R)-6-(5-chloropyridin-2-yl)-7-oxo-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-yl 4-methylpiperazine-1-carboxylate;
    R-ZOPICLONE
    49481
    ZPD    		 1 C39 H79 O8 P InChI=1S/C39H79O8P/c1-7-8
    -9-10-11-17-30(2)18-12-19
    -31(3)20-13-21-32(4)22-14
    -23-33(5)24-15-25-34(6)26
    -16-27-46-48(44,45)47-36-
    28-35(29-40)37(41)39(43)3
    8(36)42/h30-43H,7-29H2,1-
    6H3,(H,44,45)/t30-,31-,32
    -,33+,34-,35+,36+,37+,38+
    ,39-/m0/s1;
    IWZOWMVCZCJZJF-CFXBQQDPSA-N    		 CCCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
    CCOP(=O)(O)OC1CC(C(C(C1O)O)O)CO; CCCCCCC
    [CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CCC
    [CH](C)CCCO[P](O)(=O)O[CH]1C[CH](CO)[CH]
    (O)[CH](O)[CH]1O; OC1C(CC(OP(=O)(O)OCCCC
    (C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCCCCC)C
    (O)C1O)CO; CCCCCCC[C@H](C)CCC[C@H](C)CCC
    [C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCO[P](O
    )(=O)O[C@@H]1C[C@H](CO)[C@@H](O)[C@H](O)
    [C@@H]1O; CCCCCCC[C@H](C)CCC[C@H](C)CCC[
    C@H](C)CCC[C@@H](C)CCC[C@H](C)CCCOP(=O)(
    O)O[C@@H]1C[C@@H]([C@H]([C@@H]([C@@H]1O)
    O)O)CO    		 (4S,8R,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl (1R,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl hydrogen (R)-phosphate
    49482
    ZPE    		 5 C37 H70 N O8 P InChI=1S/C37H70NO8P/c1-3-
    5-7-9-11-13-15-16-17-18-2
    0-21-23-25-27-29-36(39)43
    -33-35(34-45-47(41,42)44-
    32-31-38)46-37(40)30-28-2
    6-24-22-19-14-12-10-8-6-4
    -2/h13,15,22,24,35H,3-12,
    14,16-21,23,25-34,38H2,1-
    2H3,(H,41,42)/b15-13-,24-
    22?/t35-/m1/s1;
    SWNDXEVFPWKPGK-SPZKJSGBSA-N    		 O=C(OCC(OC(=O)CCC\C=C/CCCCCCCC)COP(=O)(O
    CCN)O)CCCCCCCCC\C=C/CCCCCC; CCCCCCCCC=CC
    CCC(=O)OC(COC(=O)CCCCCCCCCC=CCCCCCC)COP(
    =O)(O)OCCN; CCCCCCCC\C=C/CCCC(=O)O[C@H](
    COC(=O)CCCCCCCCC\C=C/CCCCCC)CO[P](O)(=O)
    OCCN; CCCCCCCCC=CCCCC(=O)O[C@H](COC(=O)C
    CCCCCCCC/C=C\CCCCCC)CO[P@@](=O)(O)OCCN;
    CCCCCCCCC=CCCCC(=O)O[CH](COC(=O)CCCCCCCC
    CC=CCCCCCC)CO[P](O)(=O)OCCN    		 (2R)-3-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(tetradec-5-enoyloxy)propyl (11Z)-octadec-11-enoate
    49483
    ZPF
    CHEMBL6049942    		 2 C9 H15 N O6 InChI=1S/C9H15NO6/c1-4(12
    )10-5-6(13)7(14)9(2-11)3-
    15-8(5)16-9/h5-8,11,13-14
    H,2-3H2,1H3,(H,10,12)/t5-
    ,6-,7-,8+,9+/m1/s1;
    HXIYAFJXGOVJDG-HXLXBVJFSA-N    		 CC(=O)N[CH]1[CH](O)[CH](O)[C]2(CO)CO[CH]
    1O2; CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@
    ]2(CO)CO[C@H]1O2; C2(C(C1(COC(O1)C2NC(=O
    )C)CO)O)O; CC(=O)N[C@@H]1[C@H]([C@H]([C@
    @]2(CO[C@H]1O2)CO)O)O; CC(=O)NC1C(C(C2(C
    OC1O2)CO)O)O    		 N-[(1S,2R,3R,4R,5S)-2,3-dihydroxy-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
    49484
    ZPG
    ZINC000016052094    		 1 C21 H44 O8 InChI=1S/C21H44O8/c1-15(2
    2)8-24-10-17(3)26-12-19(5
    )28-14-21(7)29-13-20(6)27
    -11-18(4)25-9-16(2)23/h15
    -23H,8-14H2,1-7H3/t15-,16
    +,17+,18-,19+,20-,21+/m1/
    s1;
    XGDXHSHOQKNIEW-YSPFXGIPSA-N    		 C[C@@H](O)COC[C@H](C)OC[C@H](C)OC[C@H](C
    )OC[C@@H](C)OC[C@@H](C)OC[C@H](C)O; C[CH
    ](O)COC[CH](C)OC[CH](C)OC[CH](C)OC[CH](C
    )OC[CH](C)OC[CH](C)O; C[C@H](COC[C@H](C)
    OC[C@H](C)OC[C@H](C)OC[C@@H](C)OC[C@@H](
    C)OC[C@H](C)O)O; O(CC(O)C)C(COC(C)COC(C)
    COC(C)COC(C)COCC(O)C)C; CC(COCC(C)OCC(C)
    OCC(C)OCC(C)OCC(C)OCC(C)O)O    		 (2S,5R,8R,11S,14S,17S,21R)-5,8,11,14,17-PENTAMETHYL-4,7,10,13,16,19-HEXAOXADOCOSANE-2,21-DIOL
    49485
    ZPH
    ZINC000098209673    		 0 C15 H24 N O5 P InChI=1S/C15H24NO5P/c1-11
    (2)9-14(16)22(18,19)21-13
    (15(17)20-3)10-12-7-5-4-6
    -8-12/h4-8,11,13-14H,9-10
    ,16H2,1-3H3,(H,18,19)/t13
    -,14+/m0/s1;
    MZRFVGOVBKFRCQ-UONOGXRCSA-N    		 CC(C)CC(N)P(=O)(O)OC(Cc1ccccc1)C(=O)OC;
    O=C(OC)C(OP(=O)(O)C(N)CC(C)C)Cc1ccccc1;
    CC(C)C[C@H](N)[P@@](=O)(O)O[C@@H](Cc1ccc
    cc1)C(=O)OC; COC(=O)[CH](Cc1ccccc1)O[P](
    O)(=O)[CH](N)CC(C)C; COC(=O)[C@H](Cc1ccc
    cc1)O[P](O)(=O)[C@@H](N)CC(C)C    		 methyl (2S)-2-{[(R)-[(1R)-1-amino-3-methylbutyl](hydroxy)phosphoryl]oxy}-3-phenylpropanoate;
    LP(0)PHEOMe
    49486
    ZPI
    ZINC000000208675    		 1 C13 H12 N2 InChI=1S/C13H12N2/c14-8-9
    -4-3-6-11-10-5-1-2-7-12(1
    0)15-13(9)11/h3-4,6,15H,1
    -2,5,7H2;
    NCRVLCSQTZGLGA-UHFFFAOYSA-N    		 N#Cc1cccc2c3CCCCc3[nH]c12; c1cc(c2c(c1)c
    3c([nH]2)CCCC3)C#N    		 6,7,8,9-tetrahydro-5~{H}-carbazole-1-carbonitrile
    49487
    ZPJ
    CHEMBL4649900
    ZINC000001587860    		 1 C4 H6 O2 InChI=1S/C4H6O2/c5-4(6)3-
    1-2-3/h3H,1-2H2,(H,5,6);
    YMGUBTXCNDTFJI-UHFFFAOYSA-N    		 C1CC1C(=O)O; O=C(O)C1CC1; OC(=O)C1CC1 cyclopropanecarboxylic acid
    49488
    ZPL    		 1 C17 H22 N4 O2 S2 InChI=1S/C17H22N4O2S2/c1-
    12-13(2)25-15(19-12)5-6-1
    8-17(23)21-9-7-20(8-10-21
    )16(22)14-4-3-11-24-14/h3
    -4,11H,5-10H2,1-2H3,(H,18
    ,23);
    CIRZRFXLJYMKSE-UHFFFAOYSA-N    		 O=C(c1cccs1)N1CCN(CC1)C(=O)NCCc1nc(C)c(C
    )s1; Cc1c(sc(n1)CCNC(=O)N2CCN(CC2)C(=O)c
    3cccs3)C; Cc1sc(CCNC(=O)N2CCN(CC2)C(=O)c
    3sccc3)nc1C    		 N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
    49489
    ZPM
    CHEMBL3560137
    ZINC000001673440    		 1 C5 H8 O2 InChI=1S/C5H8O2/c6-5(7)4-
    2-1-3-4/h4H,1-3H2,(H,6,7);
    TXWOGHSRPAYOML-UHFFFAOYSA-N    		 C1CC(C1)C(=O)O; O=C(O)C1CCC1; OC(=O)C1CC
    C1    		 cyclobutanecarboxylic acid
    49490
    ZPN
    CHEMBL4289824
    ZINC000095920530    		 3 C29 H39 N O6 InChI=1S/C29H39NO6/c1-5-6
    -7-13-27(32)30-29(34)26-1
    9-22(4)18-25-17-21(3)16-2
    4(35-25)12-9-11-23(31)15-
    20(2)10-8-14-28(33)36-26/
    h5-8,10,13-14,18,24-26,29
    ,34H,3,9,11-12,15-17,19H2
    ,1-2,4H3,(H,30,32)/b6-5+,
    13-7-,14-8+,20-10-,22-18+
    /t24-,25-,26-,29-/m0/s1;
    KNEMNZWQWFRUIB-KZVIXHMTSA-N    		 CC=CC=CC(=O)NC(C1CC(=CC2CC(=C)CC(O2)CCCC
    (=O)CC(=CC=CC(=O)O1)C)C)O; C/C=C/C=C\C(=
    O)N[C@H]([C@@H]1C/C(=C/[C@@H]2CC(=C)C[C@
    @H](O2)CCCC(=O)C/C(=C\C=C\C(=O)O1)/C)/C)
    O; CC=CC=CC(=O)N[CH](O)[CH]1CC(=C[CH]2CC
    (=C)C[CH](CCCC(=O)CC(=CC=CC(=O)O1)C)O2)C
    ; O=C(/C=C\C=C\C)NC(O)C1OC(=O)C=CC=C(CC(
    =O)CCCC2OC(C=C(C)C1)CC(=C)/C2)C; C\C=C\C
    =C/C(=O)N[C@@H](O)[C@@H]1CC(=C/[C@@H]2CC
    (=C)C[C@H](CCCC(=O)CC(=C\C=C\C(=O)O1)/C)
    O2)/C    		 (2Z,4E)-N-[(S)-[(1S,2E,5S,8E,10Z,17S)-3,11-dimethyl-19-methylidene-7,13-dioxo-6,21-dioxabicyclo[15.3.1]henicosa-2,8,10-trien-5-yl](hydroxy)methyl]hexa-2,4-dienamide;
    (-)-ZAMPANOLIDE (Bound form)
    49491
    ZPO    		 0 C4 H8 N2 O2 InChI=1S/C4H8N2O2/c7-4(8)
    6-3-1-2-5-6/h5H,1-3H2,(H,
    7,8);
    FNNIAKKPBXJGNJ-UHFFFAOYSA-N    		 OC(=O)N1CCCN1; C1CNN(C1)C(=O)O; N1CCCN1C
    (O)=O    		 pyrazolidine-1-carboxylic acid
    49492
    ZPQ
    CHEMBL448008
    ZINC000024805568    		 4 C30 H54 N6 O8 S InChI=1S/C30H54N6O8S/c1-1
    7(2)11-23(25(37)12-20(7)2
    7(38)34-26(19(5)6)29(40)3
    1-14-18(3)4)32-28(39)24(1
    5-45(10,42)43)33-30(41)44
    -16-36-22(9)13-21(8)35-36
    /h13,17-20,23-26,37H,11-1
    2,14-16H2,1-10H3,(H,31,40
    )(H,32,39)(H,33,41)(H,34,
    38)/t20-,23+,24+,25+,26+/
    m1/s1;
    OFAZWNGNAATRSH-GWCXRDAXSA-N    		 Cc1cc(n(n1)COC(=O)NC(CS(=O)(=O)C)C(=O)NC
    (CC(C)C)C(CC(C)C(=O)NC(C(C)C)C(=O)NCC(C)
    C)O)C; CC(C)CNC(=O)[CH](NC(=O)[CH](C)C[C
    H](O)[CH](CC(C)C)NC(=O)[CH](C[S](C)(=O)=
    O)NC(=O)OCn1nc(C)cc1C)C(C)C; Cc1cc(n(n1)
    COC(=O)N[C@@H](CS(=O)(=O)C)C(=O)N[C@@H](
    CC(C)C)[C@H](C[C@@H](C)C(=O)N[C@@H](C(C)
    C)C(=O)NCC(C)C)O)C; CC(C)CNC(=O)[C@@H](N
    C(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O
    )[C@H](C[S](C)(=O)=O)NC(=O)OCn1nc(C)cc1C
    )C(C)C; O=C(OCn1nc(cc1C)C)NC(C(=O)NC(CC(
    C)C)C(O)CC(C(=O)NC(C(=O)NCC(C)C)C(C)C)C)
    CS(=O)(=O)C    		 N~2~-[(2R,4S,5S)-5-{[N-{[(3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHOXY]CARBONYL}-3-(METHYLSULFONYL)-L-ALANYL]AMINO}-4-HYDROXY-2,7-DIMETHYLOCTANOYL]-N-ISOBUTYL-L-VALINAMIDE
    49493
    ZPR
    CHEMBL79993
    DB03535
    ZINC000003803443    		 20 C18 H22 N2 O4 InChI=1S/C18H22N2O4/c21-1
    2-15-8-4-10-19(15)17(22)1
    6-9-5-11-20(16)18(23)24-1
    3-14-6-2-1-3-7-14/h1-3,6-
    7,12,15-16H,4-5,8-11,13H2
    /t15-,16-/m0/s1;
    ORZXYSPOAVJYRU-HOTGVXAUSA-N    		 c1ccc(cc1)COC(=O)N2CCCC2C(=O)N3CCCC3C=O;
    O=C[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)OC
    c3ccccc3; O=C[CH]1CCCN1C(=O)[CH]2CCCN2C(
    =O)OCc3ccccc3; c1ccc(cc1)COC(=O)N2CCC[C@
    H]2C(=O)N3CCC[C@H]3C=O; O=C(N1C(C=O)CCC1
    )C3N(C(=O)OCc2ccccc2)CCC3    		 N-BENZYLOXYCARBONYL-L-PROLYL-L-PROLINAL;
    Z-PRO-PROLINAL
    49494
    ZPS
    CHEMBL1162546
    ZINC000000404340    		 6 C6 H8 O4 InChI=1S/C6H8O4/c7-4(8)6(
    5(9)10)2-1-3-6/h1-3H2,(H,
    7,8)(H,9,10);
    CCQPAEQGAVNNIA-UHFFFAOYSA-N    		 OC(=O)C1(CCC1)C(O)=O; O=C(O)C1(CCC1)C(O)
    =O; C1CC(C1)(C(=O)O)C(=O)O    		 cyclobutane-1,1-dicarboxylic acid
    49495
    ZPT    		 1 C2 H4 Cl3 Pt InChI=1S/C2H4.3ClH.Pt/c1-
    2;;;;/h1-2H2;3*1H;/q;;;;+
    2/p-3;
    LJEKXYSRMGLQBW-UHFFFAOYSA-K    		 [CH2]1=[CH2][Pt+2]1([Cl-])([Cl-])[Cl-];
    [Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1    		 Trichloro(ethene)platinate(II);
    Zeise's salt
    49496
    ZPU
    CHEMBL4574610
    ZINC000000476743    		 4 C15 H16 N2 O InChI=1S/C15H16N2O/c1-11(
    2)12-6-8-13(9-7-12)15(18)
    17-14-5-3-4-10-16-14/h3-1
    1H,1-2H3,(H,16,17,18);
    SDOPJFVCPDSIDQ-UHFFFAOYSA-N    		 CC(C)c1ccc(cc1)C(=O)Nc2ccccn2 4-propan-2-yl-~{N}-pyridin-2-yl-benzamide
    49497
    ZPV
    CHEMBL5271929    		 1 C20 H21 F N2 O5 S InChI=1S/C20H21FN2O5S/c21
    -18-12-16(6-7-17(18)20(26
    )22-13-19(24)25)29(27,28)
    23-10-8-15(9-11-23)14-4-2
    -1-3-5-14/h1-7,12,15H,8-1
    1,13H2,(H,22,26)(H,24,25);
    IOUTWRYTULEKGO-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(C(=O)NCC(=O)O)c(F)c1)N1CCC
    (CC1)c1ccccc1; OC(=O)CNC(=O)c1ccc(cc1F)[
    S](=O)(=O)N2CCC(CC2)c3ccccc3; c1ccc(cc1)
    C2CCN(CC2)S(=O)(=O)c3ccc(c(c3)F)C(=O)NCC
    (=O)O    		 N-[2-fluoro-4-(4-phenylpiperidine-1-sulfonyl)benzoyl]glycine
    49498
    ZPX
    ZINC000098209674    		 1 C31 H34 F N5 O5 S InChI=1S/C31H34FN5O5S/c1-
    21(23-10-12-26(32)13-11-2
    3)34-30(39)24-17-25(19-27
    (18-24)36(2)43(3,41)42)31
    (40)35-28(16-22-8-5-4-6-9
    -22)29(38)20-37-15-7-14-3
    3-37/h4-15,17-19,21,28-29
    ,38H,16,20H2,1-3H3,(H,34,
    39)(H,35,40)/t21-,28+,29+
    /m1/s1;
    YTBFVFURRJQMRL-AUDJAPFVSA-N    		 C[C@H](c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)
    S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@H](
    Cn4cccn4)O; CC(c1ccc(cc1)F)NC(=O)c2cc(cc
    (c2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(C
    n4cccn4)O; C[CH](NC(=O)c1cc(cc(c1)C(=O)N
    [CH](Cc2ccccc2)[CH](O)Cn3cccn3)N(C)[S](C
    )(=O)=O)c4ccc(F)cc4; Fc1ccc(cc1)C(NC(=O)
    c2cc(cc(N(C)S(=O)(=O)C)c2)C(=O)NC(C(O)Cn
    3nccc3)Cc4ccccc4)C; C[C@@H](NC(=O)c1cc(c
    c(c1)C(=O)N[C@@H](Cc2ccccc2)[C@@H](O)Cn3
    cccn3)N(C)[S](C)(=O)=O)c4ccc(F)cc4    		 N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-1-phenyl-4-(1H-pyrazol-1-yl)butan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
    49499
    ZPY
    ZINC000098209675    		 1 C34 H38 F N5 O7 S InChI=1S/C34H38FN5O7S/c1-
    5-47-34(44)27-19-36-40(20
    -27)21-31(41)30(15-23-9-7
    -6-8-10-23)38-33(43)26-16
    -25(17-29(18-26)39(3)48(4
    ,45)46)32(42)37-22(2)24-1
    1-13-28(35)14-12-24/h6-14
    ,16-20,22,30-31,41H,5,15,
    21H2,1-4H3,(H,37,42)(H,38
    ,43)/t22-,30+,31+/m1/s1;
    MTFQLBNDNYIGHD-OJXBSAKDSA-N    		 CCOC(=O)c1cnn(C[CH](O)[CH](Cc2ccccc2)NC(
    =O)c3cc(cc(c3)C(=O)N[CH](C)c4ccc(F)cc4)N
    (C)[S](C)(=O)=O)c1; Fc1ccc(cc1)C(NC(=O)c
    2cc(cc(N(C)S(=O)(=O)C)c2)C(=O)NC(C(O)Cn3
    ncc(C(=O)OCC)c3)Cc4ccccc4)C; CCOC(=O)c1c
    nn(c1)C[C@@H]([C@H](Cc2ccccc2)NC(=O)c3cc
    (cc(c3)N(C)S(=O)(=O)C)C(=O)N[C@H](C)c4cc
    c(cc4)F)O; CCOC(=O)c1cnn(C[C@H](O)[C@H](
    Cc2ccccc2)NC(=O)c3cc(cc(c3)C(=O)N[C@H](C
    )c4ccc(F)cc4)N(C)[S](C)(=O)=O)c1; CCOC(=
    O)c1cnn(c1)CC(C(Cc2ccccc2)NC(=O)c3cc(cc(
    c3)N(C)S(=O)(=O)C)C(=O)NC(C)c4ccc(cc4)F)
    O    		 ethyl 1-{(2S,3S)-3-[(3-{[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl}-5-[methyl(methylsulfonyl)amino]benzoyl)amino]-2-hydroxy-4-phenylbutyl}-1H-pyrazole-4-carboxylate
    49500
    ZPZ
    ZINC000098209676    		 1 C32 H37 F N6 O6 S InChI=1S/C32H37FN6O6S/c1-
    20(23-10-12-26(33)13-11-2
    3)34-31(42)24-15-25(17-27
    (16-24)38(3)46(4,44)45)32
    (43)35-28(14-22-8-6-5-7-9
    -22)30(41)19-39-18-29(21(
    2)40)36-37-39/h5-13,15-18
    ,20-21,28,30,40-41H,14,19
    H2,1-4H3,(H,34,42)(H,35,4
    3)/t20-,21+,28+,30+/m1/s1;
    CUYAHRWSXUTTQB-PELBXYKSSA-N    		 C[CH](O)c1cn(C[CH](O)[CH](Cc2ccccc2)NC(=
    O)c3cc(cc(c3)C(=O)N[CH](C)c4ccc(F)cc4)N(
    C)[S](C)(=O)=O)nn1; C[C@H](O)c1cn(C[C@H]
    (O)[C@H](Cc2ccccc2)NC(=O)c3cc(cc(c3)C(=O
    )N[C@H](C)c4ccc(F)cc4)N(C)[S](C)(=O)=O)n
    n1; CC(c1ccc(cc1)F)NC(=O)c2cc(cc(c2)N(C)
    S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(Cn4cc(nn4
    )C(C)O)O; C[C@H](c1ccc(cc1)F)NC(=O)c2cc(
    cc(c2)N(C)S(=O)(=O)C)C(=O)N[C@@H](Cc3ccc
    cc3)[C@H](Cn4cc(nn4)[C@H](C)O)O; Fc1ccc(
    cc1)C(NC(=O)c2cc(cc(N(C)S(=O)(=O)C)c2)C(
    =O)NC(C(O)Cn3nnc(c3)C(O)C)Cc4ccccc4)C    		 N-[(1R)-1-(4-fluorophenyl)ethyl]-N'-[(2S,3S)-3-hydroxy-4-{4-[(1S)-1-hydroxyethyl]-1H-1,2,3-triazol-1-yl}-1-phenylbutan-2-yl]-5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxamide
    49501
    ZQ0    		 1 C15 H23 N3 O3 InChI=1S/C15H23N3O3/c1-3-
    4-7-16-15(20)18-10-8-17(9
    -11-18)14(19)13-6-5-12(2)
    21-13/h5-6H,3-4,7-11H2,1-
    2H3,(H,16,20);
    PXQNPAFJUFSQDI-UHFFFAOYSA-N    		 CCCCNC(=O)N1CCN(CC1)C(=O)c2oc(C)cc2; Cc1
    ccc(o1)C(=O)N1CCN(CC1)C(=O)NCCCC; CCCCNC
    (=O)N1CCN(CC1)C(=O)c2ccc(o2)C    		 N-butyl-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
    49502
    ZQ1
    CHEMBL5278336    		 1 C19 H20 Cl N3 O5 S InChI=1S/C19H20ClN3O5S/c2
    0-15-3-1-13(2-4-15)14-7-9
    -23(10-8-14)29(27,28)16-5
    -6-17(21-11-16)19(26)22-1
    2-18(24)25/h1-6,11,14H,7-
    10,12H2,(H,22,26)(H,24,25
    );
    HIWYRXWPCQHOSO-UHFFFAOYSA-N    		 c1cc(ccc1C2CCN(CC2)S(=O)(=O)c3ccc(nc3)C(
    =O)NCC(=O)O)Cl; OC(=O)CNC(=O)c1ccc(cn1)[
    S](=O)(=O)N2CCC(CC2)c3ccc(Cl)cc3; O=S(=O
    )(c1ccc(nc1)C(=O)NCC(=O)O)N1CCC(CC1)c1cc
    c(Cl)cc1    		 N-{5-[4-(4-chlorophenyl)piperidine-1-sulfonyl]pyridine-2-carbonyl}glycine
    49503
    ZQ2    		 1 C15 H16 N2 O2 Ru2 InChI=1S/C13H12N2.C2H4O2.
    2Ru/c1-3-7-12(8-4-1)14-11
    -15-13-9-5-2-6-10-13;1-2(
    3)4;;/h1-10H,11H2;2H,1H3;
    ;/q2*-2;2*+2;
    HYYYEFNDCLICTP-UHFFFAOYSA-N    		 CC1O[Ru]2N(CN([Ru]2O1)c3ccccc3)c4ccccc4;
    CC1O[Ru]N(CN([Ru]O1)c2ccccc2)c3ccccc3    		 [Ru2(N,N'-bis(4-fluorophenyl)formamidinate)(1,1-ethanediol);
    3-methyl-6,8-diphenyl-2,4-dioxa-6,8-diaza-1$l^{3},5$l^{3}-diruthenabicyclo[3.3.0]octane
    49504
    ZQ4    		 1 C39 H79 O8 P InChI=1S/C39H79O8P/c1-7-8
    -9-10-11-17-30(2)18-12-19
    -31(3)20-13-21-32(4)22-14
    -23-33(5)24-15-25-34(6)26
    -16-27-46-48(44,45)29-36-
    38(42)39(43)37(41)35(28-4
    0)47-36/h30-43H,7-29H2,1-
    6H3,(H,44,45)/t30-,31+,32
    +,33-,34+,35+,36-,37+,38+
    ,39-/m0/s1;
    LLTWLOYZJCWIOT-JWDSMAJRSA-N    		 CCCCCCC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)C
    CC[C@H](C)CCC[C@@H](C)CCCOP(=O)(C[C@H]1[
    C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O; C
    CCCCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CC
    COP(=O)(CC1C(C(C(C(O1)CO)O)O)O)O; CCCCCC
    C[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC
    C[CH](C)CCCO[P](O)(=O)C[CH]1O[CH](CO)[CH
    ](O)[CH](O)[CH]1O; CCCCCCC[C@H](C)CCC[C@
    @H](C)CCC[C@@H](C)CCC[C@H](C)CCC[C@@H](C
    )CCCO[P](O)(=O)C[C@@H]1O[C@H](CO)[C@@H](
    O)[C@H](O)[C@@H]1O; OP(=O)(CC1OC(CO)C(O)
    C(O)C1O)OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCC
    C(C)CCCCCCC    		 2,6-anhydro-1-deoxy-1-[(S)-hydroxy{[(4R,8S,12R,16R,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol
    49505
    ZQ5    		 1 C14 H21 N3 O2 S InChI=1S/C14H21N3O2S/c1-2
    -3-6-15-14(19)17-9-7-16(8
    -10-17)13(18)12-5-4-11-20
    -12/h4-5,11H,2-3,6-10H2,1
    H3,(H,15,19);
    KQCWSCBKZIBMBD-UHFFFAOYSA-N    		 O=C(N1CCN(CC1)C(=O)NCCCC)c1cccs1; CCCCNC
    (=O)N1CCN(CC1)C(=O)c2sccc2; CCCCNC(=O)N1
    CCN(CC1)C(=O)c2cccs2    		 N-butyl-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
    49506
    ZQ6    		 1 C23 H32 N6 O2 InChI=1S/C23H32N6O2/c1-15
    (2)18-13-27-29-22(26-12-1
    7-6-4-5-7-20(17)31-3)10-2
    1(28-23(18)29)25-11-16-8-
    9-24-14-19(16)30/h4-7,10,
    13,15-16,19,24,26,30H,8-9
    ,11-12,14H2,1-3H3,(H,25,2
    8)/t16-,19+/m1/s1;
    RYZYAFQBJREEFR-APWZRJJASA-N    		 CC(C)c1cnn2c1nc(cc2NCc3ccccc3OC)NC[C@H]4
    CCNC[C@@H]4O; CC(C)c1cnn2c1nc(cc2NCc3ccc
    cc3OC)NCC4CCNCC4O; COc1ccccc1CNc2cc(NC[C
    @H]3CCNC[C@@H]3O)nc4n2ncc4C(C)C; COc1ccc
    cc1CNc2cc(NC[CH]3CCNC[CH]3O)nc4n2ncc4C(C
    )C    		 (3~{R},4~{R})-4-[[[7-[(2-methoxyphenyl)methylamino]-3-propan-2-yl-pyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidin-3-ol
    49507
    ZQ7    		 1 C39 H77 F2 O8 P InChI=1S/C39H77F2O8P/c1-7
    -8-9-10-11-17-29(2)18-12-
    19-30(3)20-13-21-31(4)22-
    14-23-32(5)24-15-25-33(6)
    26-16-27-48-50(46,47)39(4
    0,41)38-37(45)36(44)35(43
    )34(28-42)49-38/h29-38,42
    -45H,7-28H2,1-6H3,(H,46,4
    7)/t29-,30-,31-,32-,33-,3
    4+,35+,36-,37-,38+/m0/s1;
    WLSJJMZOYIFPGE-ICHHDKBFSA-N    		 CCCCCCC[CH](C)CCC[CH](C)CCC[CH](C)CCC[CH
    ](C)CCC[CH](C)CCCO[P](O)(=O)C(F)(F)[CH]1
    O[CH](CO)[CH](O)[CH](O)[CH]1O; CCCCCCC[C
    @H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C)C
    CC[C@H](C)CCCOP(=O)(C([C@H]1[C@H]([C@H](
    [C@@H]([C@H](O1)CO)O)O)O)(F)F)O; CCCCCCC
    [C@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@H](C
    )CCC[C@H](C)CCCO[P](O)(=O)C(F)(F)[C@@H]1
    O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O; OP(
    =O)(OCCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)
    CCCCCCC)C(F)(F)C1OC(CO)C(O)C(O)C1O; CCCC
    CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCOP
    (=O)(C(C1C(C(C(C(O1)CO)O)O)O)(F)F)O    		 2,6-anhydro-1-deoxy-1,1-difluoro-1-[(R)-hydroxy{[(4S,8S,12S,16S,20S)-4,8,12,16,20-pentamethylheptacosyl]oxy}phosphoryl]-D-glycero-D-galacto-heptitol
    49508
    ZQ9    		 1 C15 H17 N3 O2 S2 InChI=1S/C15H17N3O2S2/c19
    -14(13-4-2-10-22-13)17-5-
    7-18(8-6-17)15(20)16-11-1
    2-3-1-9-21-12/h1-4,9-10H,
    5-8,11H2,(H,16,20);
    SEJPAIIMDWAFGL-UHFFFAOYSA-N    		 c1cc(sc1)CNC(=O)N2CCN(CC2)C(=O)c3cccs3;
    O=C(NCc1sccc1)N2CCN(CC2)C(=O)c3sccc3; O=
    C(NCc1cccs1)N1CCN(CC1)C(=O)c1cccs1    		 4-(thiophene-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
    49509
    ZQA
    ZINC000098095630    		 5 C8 H9 N3 S InChI=1S/C8H9N3S/c1-2-6-4
    -12-8(11-6)7-3-9-5-10-7/h
    3-5H,2H2,1H3,(H,9,10);
    RXFWINHPQUVOEC-UHFFFAOYSA-N    		 CCc1csc(n1)c2[nH]cnc2; CCc1csc(n1)c1[NH]
    cnc1; CCc1csc(n1)c2cnc[nH]2    		 4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole
    49510
    ZQB    		 18 C23 H28 Cl N5 O3 InChI=1S/C23H28ClN5O3/c24
    -17-5-1-3-14-11-19(28-20(
    14)17)23(32)29-18(9-13-6-
    7-13)22(31)27-16(12-25)10
    -15-4-2-8-26-21(15)30/h1,
    3,5,11-13,15-16,18,25,28H
    ,2,4,6-10H2,(H,26,30)(H,2
    7,31)(H,29,32)/b25-12-/t1
    5-,16-,18-/m0/s1;
    IOEBZYOQTDUOBG-UZWGZPNFSA-N    		 Clc1cccc2cc([nH]c12)C(=O)N[C@@H](CC3CC3)
    C(=O)N[C@@H](C[C@@H]4CCCNC4=O)C=N; Clc1c
    ccc2cc([NH]c21)C(=O)NC(CC1CC1)C(=O)NC(CC
    1CCCNC1=O)C=N; c1cc2cc([nH]c2c(c1)Cl)C(=
    O)NC(CC3CC3)C(=O)NC(CC4CCCNC4=O)C=N; [H]
    /N=C\[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](
    CC2CC2)NC(=O)c3cc4cccc(c4[nH]3)Cl; Clc1c
    ccc2cc([nH]c12)C(=O)N[CH](CC3CC3)C(=O)N[
    CH](C[CH]4CCCNC4=O)C=N    		 Pomotrelvir bound form
    49511
    ZQC
    CHEMBL2098466
    ZINC000004303515    		 1 C16 H13 N3 O S2 InChI=1S/C16H13N3OS2/c1-2
    1-12-7-5-11(6-8-12)15(20)
    19-16-18-14(10-22-16)13-4
    -2-3-9-17-13/h2-10H,1H3,(
    H,18,19,20);
    NZGXQIAKLVEMPP-UHFFFAOYSA-N    		 CSc1ccc(cc1)C(=O)Nc2scc(n2)c3ccccn3; CSc
    1ccc(cc1)C(=O)Nc2nc(cs2)c3ccccn3    		 4-methylsulfanyl-~{N}-(4-pyridin-2-yl-1,3-thiazol-2-yl)benzamide
    49512
    ZQD
    ZINC000035511211    		 4 C9 H14 N2 O3 S InChI=1S/C9H14N2O3S/c1-7-
    6-8(10-14-7)9-4-3-5-11(9)
    15(2,12)13/h6,9H,3-5H2,1-
    2H3/t9-/m0/s1;
    IUKADXXFBFQTOO-VIFPVBQESA-N    		 Cc1cc(no1)C2CCCN2S(=O)(=O)C; Cc1onc(c1)[
    CH]2CCCN2[S](C)(=O)=O; Cc1onc(c1)[C@@H]2
    CCCN2[S](C)(=O)=O; CS(=O)(=O)N1CCCC1c1cc
    (C)on1; Cc1cc(no1)[C@@H]2CCCN2S(=O)(=O)C    		 3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole
    49513
    ZQF
    CHEMBL5596142    		 2 C38 H42 N4 O10 S2 InChI=1S/C38H42N4O10S2/c1
    -3-5-7-25-9-15-29(16-10-2
    5)53(49,50)41-33-19-13-27
    (23-31(33)37(45)46)36(44)
    39-22-21-35(43)40-28-14-2
    0-34(32(24-28)38(47)48)42
    -54(51,52)30-17-11-26(12-
    18-30)8-6-4-2/h9-20,23-24
    ,41-42H,3-8,21-22H2,1-2H3
    ,(H,39,44)(H,40,43)(H,45,
    46)(H,47,48);
    SXEMELNAPRMMRT-UHFFFAOYSA-N    		 CCCCc1ccc(cc1)[S](=O)(=O)Nc2ccc(NC(=O)CC
    NC(=O)c3ccc(N[S](=O)(=O)c4ccc(CCCC)cc4)c
    (c3)C(O)=O)cc2C(O)=O; CCCCc1ccc(cc1)S(=O
    )(=O)Nc2ccc(cc2C(=O)O)C(=O)NCCC(=O)Nc3cc
    c(c(c3)C(=O)O)NS(=O)(=O)c4ccc(cc4)CCCC;
    O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O
    )(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)
    O)c1ccc(CCCC)cc1    		 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid
    49514
    ZQG
    ZINC000036912373    		 1 C6 H11 N3 InChI=1S/C6H11N3/c7-3-1-2
    -6-8-4-5-9-6/h4-5H,1-3,7H
    2,(H,8,9);
    HQNOODJDSFSURF-UHFFFAOYSA-N    		 c1cnc([nH]1)CCCN; NCCCc1ncc[NH]1; NCCCc1
    [nH]ccn1    		 3-(1H-imidazol-2-yl)propan-1-amine
    49515
    ZQH    		 2 C32 H40 N2 O InChI=1S/C32H40N2O/c1-30(
    2)22-34(16-15-28(30)33)29
    (35)32-19-24-17-31(21-32,
    26-11-7-4-8-12-26)18-25(2
    0-32)27(24)14-13-23-9-5-3
    -6-10-23/h3-12,14,24-25,2
    8H,13,15-22,33H2,1-2H3/b2
    7-14-/t24-,25+,28+,31+,32
    -/m0/s1;
    ZJCVPSYUNWYDCW-JDHUQGDGSA-N    		 CC1(C)CN(CCC1N)C(=O)C12CC\3CC(CC(C1)C/3=
    C\Cc1ccccc1)(C2)c1ccccc1; CC1(CN(CC[C@H]
    1N)C(=O)C23C[C@H]4CC(C2)(C[C@@H](C3)C4=C
    Cc5ccccc5)c6ccccc6)C; CC1(C)CN(CC[CH]1N)
    C(=O)C23C[CH]4C[C](C[CH](C2)[C]4=[CH]Cc5
    ccccc5)(C3)c6ccccc6; CC1(CN(CCC1N)C(=O)C
    23CC4CC(C2)(CC(C3)C4=CCc5ccccc5)c6ccccc6
    )C; CC1(C)CN(CC[C@H]1N)C(=O)C23C[C@H]4C[
    C](C[C@@H](C2)[C@@]4=[CH]Cc5ccccc5)(C3)c
    6ccccc6    		 [(4R)-4-amino-3,3-dimethylpiperidin-1-yl][(1S,3R,5R,6Z,7S)-3-phenyl-6-(2-phenylethylidene)adamantan-1-yl]methanone
    49516
    ZQJ
    ZINC000063169781    		 2 C8 H11 N3 O InChI=1S/C8H11N3O/c1-11-8
    (12)4-6-5-9-3-2-7(6)10-11
    /h4,9H,2-3,5H2,1H3;
    VQKHNWPVBIRRNP-UHFFFAOYSA-N    		 CN1C(=O)C=C2CNCCC2=N1; CN1N=C2CCNCC2=CC1
    =O; O=C1C=C2CNCCC2=NN1C    		 2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one
    49517
    ZQK
    CHEMBL4595493
    ZINC000005764525    		 0 C19 H28 O5 S InChI=1S/C19H28O5S/c1-18-
    9-7-13(24-25(21,22)23)11-
    12(18)3-4-14-15-5-6-17(20
    )19(15,2)10-8-16(14)18/h3
    ,13-16H,4-11H2,1-2H3,(H,2
    1,22,23)/t13-,14+,15+,16+
    ,18+,19+/m1/s1;
    CZWCKYRVOZZJNM-HKQXQEGQSA-N    		 C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4
    [C@@]3(CC[C@H](C4)OS(=O)(=O)O)C; C[C]12C
    C[CH]3[CH](CC=C4C[CH](CC[C]34C)O[S](O)(=
    O)=O)[CH]1CCC2=O; C[C@]12CC[C@H]3[C@@H](
    CC=C4C[C@@H](CC[C@]34C)O[S](O)(=O)=O)[C@
    @H]1CCC2=O; CC12CCC3C(C1CCC2=O)CC=C4C3(C
    CC(C4)OS(=O)(=O)O)C; O=S(=O)(O)OC1CCC2(C
    )C3CCC4(C)C(CCC4=O)C3CC=C2C1    		 Dehydroepiandrosterone sulfate;
    17-oxo-14beta-androst-5-en-3beta-yl hydrogen sulfate
    49518
    ZQM    		 1 C10 H14 N2 O S InChI=1S/C10H14N2OS/c1-7(
    2)14-9-6-4-3-5-8(9)12-10(
    11)13/h3-7H,1-2H3,(H3,11,
    12,13);
    JMNHFNZOQMCQHZ-UHFFFAOYSA-N    		 CC(C)Sc1ccccc1NC(=O)N; CC(C)Sc1ccccc1NC(
    N)=O    		 N-{2-[(propan-2-yl)sulfanyl]phenyl}urea
    49519
    ZQN
    CHEMBL5305170
    ZINC000002170237    		 0 C10 H19 N O4 InChI=1S/C10H19NO4/c1-6(2
    )7(8(12)13)11-9(14)15-10(
    3,4)5/h6-7H,1-5H3,(H,11,1
    4)(H,12,13)/t7-/m0/s1;
    SZXBQTSZISFIAO-ZETCQYMHSA-N    		 CC(C)C(C(=O)O)NC(=O)OC(C)(C)C; CC(C)[CH]
    (NC(=O)OC(C)(C)C)C(O)=O; CC(C)[C@H](NC(=
    O)OC(C)(C)C)C(O)=O    		 N-(TERT-BUTYLOXYCARBONYL)-VALINE;
    N-BOC-VALINE
    49520
    ZQQ    		 0 C25 H35 N9 O4 InChI=1S/C25H35N9O4/c1-31
    (2)11-6-8-26-21(35)7-9-28
    -23(36)19-13-17(15-33(19)
    4)29-24(37)20-14-18(16-34
    (20)5)30-25(38)22-27-10-1
    2-32(22)3/h10,12-16H,6-9,
    11H2,1-5H3,(H,26,35)(H,28
    ,36)(H,29,37)(H,30,38);
    GXOSUFJCHMSUFC-UHFFFAOYSA-N    		 CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)c2cc(NC
    (=O)c3nccn3C)cn2C)cn1C; O=C(Nc1cc(C(=O)N
    c2cc(C(=O)NCCC(=O)NCCCN(C)C)n(C)c2)n(C)c
    1)c1nccn1C; Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(
    =O)Nc3cc(n(c3)C)C(=O)NCCC(=O)NCCCN(C)C    		 N-[5-({5-[(3-{[3-(dimethylamino)propyl]amino}-3-oxopropyl)carbamoyl]-1-methyl-1H-pyrrol-3-yl}carbamoyl)-1-methyl-1H-pyrrol-3-yl]-1-methyl-1H-imidazole-2-carboxamide
    49521
    ZQS
    CHEMBL5095827    		 2 C14 H15 N5 S2 InChI=1S/C14H15N5S2/c15-1
    2-18-14(11-3-1-6-20-11)9-
    19(7-10(14)8-21-12)13-16-
    4-2-5-17-13/h1-6,10H,7-9H
    2,(H2,15,18)/t10-,14-/m0/
    s1;
    GFWNXZDRVLVYFN-HZMBPMFUSA-N    		 NC1=NC2(CN(CC2CS1)c1ncccn1)c1cccs1; c1cc
    (sc1)C23CN(CC2CSC(=N3)N)c4ncccn4; NC1=N[
    C@]2(CN(C[C@H]2CS1)c3ncccn3)c4sccc4; NC1
    =N[C]2(CN(C[CH]2CS1)c3ncccn3)c4sccc4; c1
    cc(sc1)[C@]23CN(C[C@H]2CSC(=N3)N)c4ncccn
    4    		 (4aR,7aR)-6-(pyrimidin-2-yl)-7a-(thiophen-2-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
    49522
    ZQT
    ZINC000001581505    		 2 C13 H10 O5 InChI=1S/C13H10O5/c14-6-1
    -10(16)8-5-9-11(17)2-7(15
    )4-13(9)18-12(8)3-6/h1-4,
    14-17H,5H2;
    WRWDLBILCDUPOS-UHFFFAOYSA-N    		 Oc1cc(O)c2Cc3c(O)cc(O)cc3Oc2c1; c1c(cc2c
    (c1O)Cc3c(cc(cc3O2)O)O)O; Oc1cc(O)cc2Oc3
    cc(O)cc(O)c3Cc21    		 9H-xanthene-1,3,6,8-tetrol
    49523
    ZQU
    CHEMBL444172
    DB06191
    ZINC000100029945    		 8 C32 H31 F2 N3 O2 InChI=1S/C32H31F2N3O2/c33
    -32(34)29-22-7-1-3-9-24(2
    2)31(25-10-4-2-8-23(25)30
    (29)32)37-17-15-36(16-18-
    37)19-21(38)20-39-28-13-5
    -12-27-26(28)11-6-14-35-2
    7/h1-14,21,29-31,38H,15-2
    0H2/t21-,29-,30+,31-/m1/s
    1;
    IHOVFYSQUDPMCN-DBEBIPAYSA-N    		 O[CH](COc1cccc2ncccc12)CN3CCN(CC3)C4c5cc
    ccc5[CH]6[CH](c7ccccc47)C6(F)F; O[C@@H](
    COc1cccc2ncccc12)CN3CCN(CC3)C4c5ccccc5[C
    @@H]6[C@H](c7ccccc47)C6(F)F; c1ccc2c(c1)
    [C@@H]3[C@@H](C3(F)F)c4ccccc4C2N5CCN(CC5
    )C[C@H](COc6cccc7c6cccn7)O; c1ccc2c(c1)C
    (c3ccccc3C4C2C4(F)F)N5CCN(CC5)CC(COc6ccc
    c7c6cccn7)O    		 Zosuquidar
    49524
    ZQV    		 4 C28 H25 Cl N4 O4 InChI=1S/C28H25ClN4O4/c1-
    15-3-12-21(13-22(15)27(35
    )36)37-28-31-24-14-23(29)
    25(32-26(24)33-28)19-6-4-
    17(5-7-19)18-8-10-20(11-9
    -18)30-16(2)34/h3-8,12-14
    ,20H,9-11H2,1-2H3,(H,30,3
    4)(H,35,36)(H,31,32,33)/t
    20-/m0/s1;
    DYYYOJWTTPYOIK-FQEVSTJZSA-N    		 CC(=O)N[CH]1CCC(=CC1)c2ccc(cc2)c3nc4nc([
    nH]c4cc3Cl)Oc5ccc(C)c(c5)C(O)=O; CC(=O)N
    C1CC=C(CC1)c1ccc(cc1)c1nc2nc(Oc3cc(C(=O)
    O)c(C)cc3)[NH]c2cc1Cl; Cc1ccc(cc1C(=O)O)
    Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)C5=CCC(CC5
    )NC(=O)C)Cl; CC(=O)N[C@@H]1CCC(=CC1)c2cc
    c(cc2)c3nc4nc([nH]c4cc3Cl)Oc5ccc(C)c(c5)
    C(O)=O; Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(n
    c3n2)c4ccc(cc4)C5=CC[C@@H](CC5)NC(=O)C)C
    l    		 5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid
    49525
    ZQW    		 6 C28 H24 N2 O5 InChI=1S/C28H24N2O5/c31-2
    6(32)18-17-24(30-27(33)22
    -14-8-10-19-9-4-5-13-21(1
    9)22)28(34)29-23-15-6-7-1
    6-25(23)35-20-11-2-1-3-12
    -20/h1-16,24H,17-18H2,(H,
    29,34)(H,30,33)(H,31,32)/
    t24-/m0/s1;
    IIQXEGLQYMXTEV-DEOSSOPVSA-N    		 c1ccc(cc1)Oc2ccccc2NC(=O)C(CCC(=O)O)NC(=
    O)c3cccc4c3cccc4; OC(=O)CC[CH](NC(=O)c1c
    ccc2ccccc12)C(=O)Nc3ccccc3Oc4ccccc4; O=C
    (O)CCC(NC(=O)c1cccc2ccccc21)C(=O)Nc1cccc
    c1Oc1ccccc1; OC(=O)CC[C@H](NC(=O)c1cccc2
    ccccc12)C(=O)Nc3ccccc3Oc4ccccc4; c1ccc(c
    c1)Oc2ccccc2NC(=O)[C@H](CCC(=O)O)NC(=O)c
    3cccc4c3cccc4    		 N~2~-(naphthalene-1-carbonyl)-N-(2-phenoxyphenyl)-L-alpha-glutamine
    49526
    ZQY    		 2 C20 H23 N7 O2 S InChI=1S/C20H23N7O2S/c1-3
    -4-15-11-16-18(22-20(28-2
    )23-19(16)30-15)21-10-9-1
    3-5-7-14(8-6-13)29-12-17-
    24-26-27-25-17/h5-8,11H,3
    -4,9-10,12H2,1-2H3,(H,21,
    22,23)(H,24,25,26,27);
    ACCUSJFCOLLWHH-UHFFFAOYSA-N    		 CCCc1cc2c(nc(nc2s1)OC)NCCc3ccc(cc3)OCc4[
    nH]nnn4; CCCc1sc2nc(OC)nc(NCCc3ccc(OCc4[
    nH]nnn4)cc3)c2c1; COc1nc(NCCc2ccc(OCc3nn
    n[NH]3)cc2)c2cc(CCC)sc2n1    		 2-methoxy-6-propyl-N-(2-{4-[(1H-tetrazol-5-yl)methoxy]phenyl}ethyl)thieno[2,3-d]pyrimidin-4-amine
    49527
    ZQZ    		 6 C29 H26 N2 O6 InChI=1S/C29H26N2O6/c1-36
    -20-10-7-11-21(18-20)37-2
    6-15-5-4-14-24(26)30-29(3
    5)25(16-17-27(32)33)31-28
    (34)23-13-6-9-19-8-2-3-12
    -22(19)23/h2-15,18,25H,16
    -17H2,1H3,(H,30,35)(H,31,
    34)(H,32,33)/t25-/m0/s1;
    VIOMNVLHIQNNOJ-VWLOTQADSA-N    		 COc1cccc(Oc2ccccc2NC(=O)[CH](CCC(O)=O)NC
    (=O)c3cccc4ccccc34)c1; COc1cccc(Oc2ccccc
    2NC(=O)[C@H](CCC(O)=O)NC(=O)c3cccc4ccccc
    34)c1; COc1cccc(c1)Oc2ccccc2NC(=O)[C@H](
    CCC(=O)O)NC(=O)c3cccc4c3cccc4; O=C(O)CCC
    (NC(=O)c1cccc2ccccc21)C(=O)Nc1ccccc1Oc1c
    c(OC)ccc1; COc1cccc(c1)Oc2ccccc2NC(=O)C(
    CCC(=O)O)NC(=O)c3cccc4c3cccc4    		 N-[2-(3-methoxyphenoxy)phenyl]-N~2~-(naphthalene-1-carbonyl)-L-alpha-glutamine
    49528
    ZR    		 0 Zr InChI=1S/Zr/q+4;
    GBNDTYKAOXLLID-UHFFFAOYSA-N    		 [Zr+4] ZIRCONIUM ION
    49529
    ZR0
    ZINC000000039104    		 1 C8 H5 Br O4 InChI=1S/C8H5BrO4/c9-6-2-
    1-4(7(10)11)3-5(6)8(12)13
    /h1-3H,(H,10,11)(H,12,13);
    MSQIEZXCNYUWHN-UHFFFAOYSA-N    		 OC(=O)c1cc(ccc1Br)C(=O)O; OC(=O)c1ccc(Br
    )c(c1)C(O)=O; c1cc(c(cc1C(=O)O)C(=O)O)Br    		 4-bromobenzene-1,3-dicarboxylic acid
    49530
    ZR1
    CHEMBL4563402    		 2 C22 H23 F3 N4 O3 InChI=1S/C22H23F3N4O3/c1-
    10-11-3-5-29(22(11)28-9-2
    7-10)15-7-17(20(31)19(15)
    30)32-16-6-13(21(24)25)18
    (23)12-2-4-26-8-14(12)16/
    h3,5-6,9,15,17,19-21,26,3
    0-31H,2,4,7-8H2,1H3/t15-,
    17+,19+,20-/m1/s1;
    HBGHQRGHFNTSDP-DJABAAGCSA-N    		 Cc1c2ccn(c2ncn1)[C@@H]3C[C@@H]([C@H]([C@
    H]3O)O)Oc4cc(c(c5c4CNCC5)F)C(F)F; FC(F)c
    1cc(OC2CC(C(O)C2O)n2ccc3c(C)ncnc32)c2CNC
    Cc2c1F; Cc1ncnc2n(ccc12)[C@@H]3C[C@H](Oc
    4cc(C(F)F)c(F)c5CCNCc45)[C@@H](O)[C@H]3O
    ; Cc1c2ccn(c2ncn1)C3CC(C(C3O)O)Oc4cc(c(c
    5c4CNCC5)F)C(F)F; Cc1ncnc2n(ccc12)[CH]3C
    [CH](Oc4cc(C(F)F)c(F)c5CCNCc45)[CH](O)[C
    H]3O    		 (1S,2S,3S,5R)-3-{[6-(difluoromethyl)-5-fluoro-1,2,3,4-tetrahydroisoquinolin-8-yl]oxy}-5-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
    49531
    ZR2    		 1 C78 H152 O9 InChI=1S/C78H152O9/c1-5-7
    -9-11-13-15-17-24-32-38-4
    4-50-56-62-70(77(83)86-66
    -73-74(80)75(81)76(82)78(
    84)87-73)71(79)63-57-51-4
    5-39-33-27-21-19-20-25-30
    -36-42-48-54-60-68-65-69(
    68)61-55-49-43-37-31-26-2
    2-23-28-34-40-46-52-58-64
    -72(85-4)67(3)59-53-47-41
    -35-29-18-16-14-12-10-8-6
    -2/h67-76,78-82,84H,5-66H
    2,1-4H3/t67-,68-,69+,70-,
    71-,72-,73+,74-,75-,76+,7
    8-/m1/s1;
    ALFANZHAIQQPQB-RYNSOJLXSA-N    		 CCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCC
    CCCCC[C@@H]1C[C@@H]1CCCCCCCCCCCCCCCC[C@H
    ]([C@H](C)CCCCCCCCCCCCCC)OC)O)C(=O)OC[C@
    H]2[C@H]([C@H]([C@@H]([C@@H](O2)O)O)O)O;
    CCCCCCCCCCCCCCCC(C(CCCCCCCCCCCCCCCCCC1C
    C1CCCCCCCCCCCCCCCCC(C(C)CCCCCCCCCCCCCC)O
    C)O)C(=O)OCC2C(C(C(C(O2)O)O)O)O; CCCCCCC
    CCCCCCCC[C@H]([C@H](O)CCCCCCCCCCCCCCCCC[
    C@@H]1C[C@@H]1CCCCCCCCCCCCCCCC[C@@H](OC)
    [C@H](C)CCCCCCCCCCCCCC)C(=O)OC[C@@H]2O[C
    @@H](O)[C@@H](O)[C@H](O)[C@@H]2O; CCCCCC
    CCCCCCCCC[CH]([CH](O)CCCCCCCCCCCCCCCCC[C
    H]1C[CH]1CCCCCCCCCCCCCCCC[CH](OC)[CH](C)
    CCCCCCCCCCCCCC)C(=O)OC[CH]2O[CH](O)[CH](
    O)[CH](O)[CH]2O; OC1C(O)C(COC(=O)C(CCCCC
    CCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCC2CC2CCC
    CCCCCCCCCCCCCC(OC)C(C)CCCCCCCCCCCCCC)OC(
    O)C1O    		 6-O-[(2R,3R)-3-hydroxy-20-{(1R,2S)-2-[(17R,18R)-17-methoxy-18-methyldotriacontyl]cyclopropyl}-2-pentadecylicosanoyl]-alpha-L-galactopyranose
    49532
    ZR3
    ZINC000037484022    		 9 C10 H9 Cl N2 O3 InChI=1S/C10H9ClN2O3/c11-
    8-2-1-6(5-7(8)9(14)15)13-
    4-3-12-10(13)16/h1-2,5H,3
    -4H2,(H,12,16)(H,14,15);
    RYLWJXSPVCHJTQ-UHFFFAOYSA-N    		 O=C(O)c1cc(ccc1Cl)N1CCNC1=O; c1cc(c(cc1N
    2CCNC2=O)C(=O)O)Cl; OC(=O)c1cc(ccc1Cl)N2
    CCNC2=O    		 2-chloro-5-(2-oxoimidazolidin-1-yl)benzoic acid
    49533
    ZR4
    CHEMBL4441584    		 3 C17 H16 Cl F N4 O4 InChI=1S/C17H16ClFN4O4/c1
    8-9-2-1-7(5-10(9)19)11(24
    )14-12(25)13(26)17(27-14)
    23-4-3-8-15(20)21-6-22-16
    (8)23/h1-6,11-14,17,24-26
    H,(H2,20,21,22)/t11-,12+,
    13-,14-,17-/m1/s1;
    GTCYWLXMJRCJNE-QFRSUPTLSA-N    		 Nc1ncnc2n(ccc12)[CH]3O[CH]([CH](O)[CH]3O
    )[CH](O)c4ccc(Cl)c(F)c4; Clc1ccc(cc1F)C(
    O)C1OC(n2ccc3c(N)ncnc32)C(O)C1O; c1cc(c(
    cc1[C@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3
    ccc4c3ncnc4N)O)O)O)F)Cl; c1cc(c(cc1C(C2C
    (C(C(O2)n3ccc4c3ncnc4N)O)O)O)F)Cl; Nc1nc
    nc2n(ccc12)[C@@H]3O[C@@H]([C@@H](O)[C@H]
    3O)[C@H](O)c4ccc(Cl)c(F)c4    		 7-[(5R)-5-C-(4-chloro-3-fluorophenyl)-beta-D-ribofuranosyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    49534
    ZR5
    CHEMBL3113165
    DB18307
    ZINC000103266485    		 6 C21 H19 N3 O4 S2 InChI=1S/C21H19N3O4S2/c1-
    28-18-7-4-5-14(20(18)25)1
    3-22-15-9-11-16(12-10-15)
    30(26,27)24-21-23-17-6-2-
    3-8-19(17)29-21/h2-12,22,
    25H,13H2,1H3,(H,23,24);
    OWHBVKBNNRYMIN-UHFFFAOYSA-N    		 COc1cccc(c1O)CNc2ccc(cc2)S(=O)(=O)Nc3nc4
    ccccc4s3; COc1cccc(CNc2ccc(cc2)S(=O)(=O)
    Nc2nc3ccccc3s2)c1O; COc1cccc(CNc2ccc(cc2
    )[S](=O)(=O)Nc3sc4ccccc4n3)c1O    		 N-(1,3-benzothiazol-2-yl)-4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}benzene-1-sulfonamide
    49535
    ZR6
    ZINC000061857529    		 9 C11 H12 N2 O3 InChI=1S/C11H12N2O3/c1-7-
    8(10(14)15)3-2-4-9(7)13-6
    -5-12-11(13)16/h2-4H,5-6H
    2,1H3,(H,12,16)(H,14,15);
    LBXZUEMSUVQWIJ-UHFFFAOYSA-N    		 Cc1c(cccc1C(O)=O)N2CCNC2=O; O=C(O)c1cccc
    (c1C)N1CCNC1=O; Cc1c(cccc1N2CCNC2=O)C(=O
    )O    		 2-methyl-3-(2-oxoimidazolidin-1-yl)benzoic acid
    49536
    ZR7
    CHEMBL4452566    		 2 C22 H20 F2 N8 O2 S InChI=1S/C22H20F2N8O2S/c1
    -34-18-8-26-17(7-27-18)19
    (33)30-14-2-3-16(24)15(4-
    14)22-11-32(21-28-5-13(23
    )6-29-21)9-12(22)10-35-20
    (25)31-22/h2-8,12H,9-11H2
    ,1H3,(H2,25,31)(H,30,33)/
    t12-,22-/m0/s1;
    VQSRKMNBWMHJKY-YTEVENLXSA-N    		 COc1cnc(cn1)C(=O)Nc2ccc(c(c2)C34CN(CC3CS
    C(=N4)N)c5ncc(cn5)F)F; COc1cnc(cn1)C(=O)
    Nc2ccc(F)c(c2)[C]34CN(C[CH]3CSC(=N4)N)c5
    ncc(F)cn5; COc1ncc(nc1)C(=O)Nc1cc(c(F)cc
    1)C12N=C(N)SCC2CN(C1)c1ncc(F)cn1; COc1cn
    c(cn1)C(=O)Nc2ccc(c(c2)[C@]34CN(C[C@H]3C
    SC(=N4)N)c5ncc(cn5)F)F; COc1cnc(cn1)C(=O
    )Nc2ccc(F)c(c2)[C@]34CN(C[C@H]3CSC(=N4)N
    )c5ncc(F)cn5    		 N-{3-[(4aR,7aS)-2-amino-6-(5-fluoropyrimidin-2-yl)-4a,5,6,7-tetrahydropyrrolo[3,4-d][1,3]thiazin-7a(4H)-yl]-4-fluorophenyl}-5-methoxypyrazine-2-carboxamide
    49537
    ZR9
    ZINC000138795290    		 6 C9 H6 N2 O4 InChI=1S/C9H6N2O4/c12-7-5
    -3-4(8(13)14)1-2-6(5)10-9
    (15)11-7/h1-3H,(H,13,14)(
    H2,10,11,12,15);
    FDJXVHKCNJIHTB-UHFFFAOYSA-N    		 OC(=O)c1ccc2NC(=O)NC(=O)c2c1; c1cc2c(cc1
    C(=O)O)C(=O)NC(=O)N2; O=C(O)c1ccc2NC(=O)
    NC(=O)c2c1    		 2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid
    49538
    ZRA
    DB03536
    ZINC000098209677    		 1 C18 H28 F N5 O4 InChI=1S/C18H28FN5O4/c1-1
    2(15(25)10-19)23-16(26)14
    (8-5-9-22-17(20)21)24-18(
    27)28-11-13-6-3-2-4-7-13/
    h2-4,6-7,12,14,17,22H,5,8
    -11,20-21H2,1H3,(H,23,26)
    (H,24,27)/t12-,14-/m0/s1;
    FAAPWXRBXXSQNJ-JSGCOSHPSA-N    		 CC(C(=O)CF)NC(=O)[C@H](CCCNC(N)N)NC(=O)O
    Cc1ccccc1; C[C@H](NC(=O)[C@H](CCCNC(N)N)
    NC(=O)OCc1ccccc1)C(=O)CF; FCC(=O)C(NC(=O
    )C(NC(=O)OCc1ccccc1)CCCNC(N)N)C; C[CH](N
    C(=O)[CH](CCCNC(N)N)NC(=O)OCc1ccccc1)C(=
    O)CF; CC(C(=O)CF)NC(=O)C(CCCNC(N)N)NC(=O
    )OCc1ccccc1    		 BENZOYL-ARGININE-ALANINE-FLUORO-METHYL KETONE;
    benzyl [(2S)-5-[(diaminomethyl)amino]-1-{[(2S)-4-fluoro-3-oxobutan-2-yl]amino}-1-oxopentan-2-yl]carbamate
    49539
    ZRC    		 9 O17 P Zr3 InChI=1S/H3O4P.13O.3Zr/c1
    -5(2,3)4;;;;;;;;;;;;;;;;/
    h(H3,1,2,3,4);;;;;;;;;;;;
    ;;;;/q;;;;9*-1;4*+1/p-3;
    WBTZCCQRTTWINH-UHFFFAOYSA-K    		 [O-][Zr]123([O-])([O-])O[P]4(=O)O[Zr]5([
    O-])([O-])([O-])(O1)O[Zr]([O-])([O-])([O
    -])(O4)(O2)[O+]35; [O-][Zr]123(OP4(=O)O[
    Zr]5(O1)([O+]2[Zr](O4)(O3)(O5)([O-])([O-
    ])[O-])([O-])([O-])[O-])([O-])[O-]    		 OXO ZIRCONIUM(IV) CLUSTER
    49540
    ZRD
    CHEMBL3704998
    ZINC000169703444    		 2 C13 H13 F N6 S2 InChI=1S/C13H13FN6S2/c14-
    9-3-16-12(17-4-9)20-5-8-6
    -21-11(15)19-13(8,7-20)10
    -1-2-18-22-10/h1-4,8H,5-7
    H2,(H2,15,19)/t8-,13-/m0/
    s1;
    JTNSTOMSFFQQFP-SDBXPKJASA-N    		 NC1=N[C@]2(CN(C[C@H]2CS1)c3ncc(F)cn3)c4s
    ncc4; c1cnsc1[C@]23CN(C[C@H]2CSC(=N3)N)c
    4ncc(cn4)F; NC1=N[C]2(CN(C[CH]2CS1)c3ncc
    (F)cn3)c4sncc4; c1cnsc1C23CN(CC2CSC(=N3)
    N)c4ncc(cn4)F; Fc1cnc(nc1)N1CC2(N=C(N)SC
    C2C1)c1ccns1    		 (4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-7a-(1,2-thiazol-5-yl)-4,4a,5,6,7,7a-hexahydropyrrolo[3,4-d][1,3]thiazin-2-amine
    49541
    ZRE
    ZINC000035348144    		 4 C10 H8 F N O3 InChI=1S/C10H8FNO3/c11-7-
    4-8-5(1-2-9(13)12-8)3-6(7
    )10(14)15/h3-4H,1-2H2,(H,
    12,13)(H,14,15);
    SAJMBBKTNYDWGD-UHFFFAOYSA-N    		 OC(=O)c1cc2CCC(=O)Nc2cc1F; O=C(O)c1cc2CC
    C(=O)Nc2cc1F; c1c2c(cc(c1C(=O)O)F)NC(=O)
    CC2    		 7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid
    49542
    ZRF    		 0 C8 H11 N3 O4 InChI=1S/C8H11N3O4/c1-4(9
    )7-10-5(3-12)8(15)11(7)2-
    6(13)14/h3-4,12H,2,9H2,1H
    3,(H,13,14)/b5-3+/t4-/m0/
    s1;
    FVXPLHKMTPOASN-MXFQXMHVSA-N    		 C[C@H](N)C1=N\C(=C\O)C(=O)N1CC(O)=O; C[C
    H](N)C1=NC(=CO)C(=O)N1CC(O)=O; CC(C1=N/C
    (=C/O)/C(=O)N1CC(=O)O)N; CC(C1=NC(=CO)C(
    =O)N1CC(=O)O)N    		 2-[(4E)-2-[(1S)-1-aminoethyl]-4-(hydroxymethylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
    2-[(4~{E})-2-(1-azanylethyl)-5-oxidanylidene-4-(oxidanylmethylidene)imidazol-1-yl]ethanoic acid
    49543
    ZRG
    ZINC000024974824    		 2 C11 H22 N6 O3 InChI=1S/C11H22N6O3/c1-7(
    18)16-8(9(19)13-2)5-4-6-1
    5-10(12)17-11(20)14-3/h8H
    ,4-6H2,1-3H3,(H,13,19)(H,
    16,18)(H4,12,14,15,17,20)
    /t8-/m0/s1;
    IHUKVJKKTBLTEE-QMMMGPOBSA-N    		 [H]/N=C(/NCCC[C@@H](C(=O)NC)NC(=O)C)\NC(
    =O)NC; CC(=O)NC(CCCNC(=N)NC(=O)NC)C(=O)N
    C; O=C(NC)C(NC(=O)C)CCCNC(=[N@H])NC(=O)N
    C; CNC(=O)NC(=N)NCCC[CH](NC(C)=O)C(=O)NC
    ; CNC(=O)NC(=N)NCCC[C@H](NC(C)=O)C(=O)NC    		 (2S)-2-acetamido-N-methyl-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]pentanamide
    49544
    ZRH    		 1 C17 H16 F N3 O2 InChI=1S/C17H16FN3O2/c1-1
    1(10-23-13-5-3-2-4-6-13)1
    7(22)21-15-9-12(18)7-8-14
    (15)16(19)20-21/h2-9,11H,
    10H2,1H3,(H2,19,20)/t11-/
    m0/s1;
    UFEKXWZXPIHHKC-NSHDSACASA-N    		 C[C@@H](COc1ccccc1)C(=O)n2c3cc(ccc3c(n2)
    N)F; C[CH](COc1ccccc1)C(=O)n2nc(N)c3ccc(
    F)cc23; CC(COc1ccccc1)C(=O)n1nc(N)c2ccc(
    F)cc21; CC(COc1ccccc1)C(=O)n2c3cc(ccc3c(
    n2)N)F; C[C@@H](COc1ccccc1)C(=O)n2nc(N)c
    3ccc(F)cc23    		 (2S)-1-(3-amino-6-fluoro-1H-indazol-1-yl)-2-methyl-3-phenoxypropan-1-one
    49545
    ZRI
    ZINC000032006140    		 2 C9 H9 N O2 InChI=1S/C9H9NO2/c11-9(12
    )7-5-6(7)8-3-1-2-4-10-8/h
    1-4,6-7H,5H2,(H,11,12)/t6
    -,7-/m0/s1;
    ZFZMEVZZAIRAHE-BQBZGAKWSA-N    		 OC(=O)[CH]1C[CH]1c2ccccn2; OC(=O)[C@H]1C
    [C@@H]1c2ccccn2; c1ccnc(c1)[C@H]2C[C@@H]
    2C(=O)O; O=C(O)C1CC1c1ccccn1; c1ccnc(c1)
    C2CC2C(=O)O    		 (1S,2S)-2-(pyridin-2-yl)cyclopropane-1-carboxylic acid
    49546
    ZRJ    		 0 C14 H21 N O4 InChI=1S/C14H21NO4/c1-14(
    2,3)19-13(16)12(15)9-6-10
    (17-4)8-11(7-9)18-5/h6-8,
    12H,15H2,1-5H3/t12-/m0/s1;
    AWJOCNUVOGUIHD-LBPRGKRZSA-N    		 COc1cc(OC)cc(c1)[C@H](N)C(=O)OC(C)(C)C;
    CC(C)(C)OC(=O)C(c1cc(cc(c1)OC)OC)N; COc1
    cc(OC)cc(c1)[CH](N)C(=O)OC(C)(C)C    		 tert-butyl (2S)-2-amino-2-(3,5-dimethoxyphenyl)acetate;
    ~{tert}-butyl 2-azanyl-2-(3,5-dimethoxyphenyl)ethanoate
    49547
    ZRK
    CHEMBL1738951
    ZINC000066157014    		 2 C12 H8 N2 O2 InChI=1S/C12H8N2O2/c15-12
    -9-7-11(8-1-4-13-5-2-8)16
    -10(9)3-6-14-12/h1-7H,(H,
    14,15);
    NLYCKXUGHPVKMO-UHFFFAOYSA-N    		 O=C2NC=Cc1oc(cc12)c3ccncc3; O=C1NC=Cc2oc
    (cc12)c3ccncc3; c1cnccc1c2cc3c(o2)C=CNC3
    =O    		 2-(4-PYRIDINYL)FURO[3,2-C]PYRIDIN-4(5H)-ONE
    49548
    ZRL
    CHEMBL1738952
    ZINC000066157016    		 2 C12 H7 Br N2 O S InChI=1S/C12H7BrN2OS/c13-
    9-6-15-12(16)8-5-10(17-11
    (8)9)7-1-3-14-4-2-7/h1-6H
    ,(H,15,16);
    YFBJHINTWOTPAK-UHFFFAOYSA-N    		 BrC1=CNC(=O)c2cc(sc12)c3ccncc3; c1cnccc1
    c2cc3c(s2)C(=CNC3=O)Br    		 7-BROMO-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE
    49549
    ZRM
    CHEMBL1738953
    ZINC000066157017    		 2 C18 H12 N2 O2 S InChI=1S/C18H12N2O2S/c21-
    13-3-1-11(2-4-13)15-10-20
    -18(22)14-9-16(23-17(14)1
    5)12-5-7-19-8-6-12/h1-10,
    21H,(H,20,22);
    CCZJKJIDVXAPAV-UHFFFAOYSA-N    		 O=C2c1cc(sc1C(=CN2)c3ccc(O)cc3)c4ccncc4;
    Oc1ccc(cc1)C2=CNC(=O)c3cc(sc23)c4ccncc4
    ; c1cc(ccc1C2=CNC(=O)c3c2sc(c3)c4ccncc4)
    O    		 7-(4-HYDROXYPHENYL)-2-PYRIDIN-4-YL-5H-THIENO[3,2-C]PYRIDIN-4-ONE
    49550
    ZRN    		 2 C29 H36 N4 O5 InChI=1S/C29H36N4O5/c1-5-
    29(6-2)15-23(35)33(27(30)
    32-29)25-20-13-18(11-12-2
    2(20)38-28(25,3)16-37-4)2
    6(36)31-24-19-10-8-7-9-17
    (19)14-21(24)34/h7-13,21,
    24-25,34H,5-6,14-16H2,1-4
    H3,(H2,30,32)(H,31,36)/t2
    1-,24-,25+,28+/m1/s1;
    LREJHMJDUFIXDP-IWNAYQHTSA-N    		 CCC1(CC(=O)N(C(=N)N1)C2c3cc(ccc3OC2(C)CO
    C)C(=O)NC4c5ccccc5CC4O)CC; OC1Cc2ccccc2C
    1NC(=O)c1cc2c(cc1)OC(C)(COC)C2N1C(=N)NC(
    CC)(CC)CC1=O; CCC1(CC)CC(=O)N([CH]2c3cc(
    ccc3O[C]2(C)COC)C(=O)N[CH]4[CH](O)Cc5ccc
    cc45)C(=N)N1; CCC1(CC)CC(=O)N([C@H]2c3cc
    (ccc3O[C@@]2(C)COC)C(=O)N[C@H]4[C@H](O)C
    c5ccccc45)C(=N)N1; [H]/N=C\1/NC(CC(=O)N1
    [C@H]2c3cc(ccc3O[C@@]2(C)COC)C(=O)N[C@@H
    ]4c5ccccc5C[C@H]4O)(CC)CC    		 (2R,3S)-3-[(2S)-2-amino-4,4-diethyl-6-oxo-1,3-diazinan-1-yl]-N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(methoxymethyl)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
    49551
    ZRO
    CHEMBL3991294
    ZINC000095920757    		 2 C14 H11 F3 N2 O4 InChI=1S/C14H11F3N2O4/c15
    -14(16,17)8-4-1-7(2-5-8)3
    -6-9-10(12(21)22)18-13(23
    )19-11(9)20/h1-2,4-5H,3,6
    H2,(H,21,22)(H2,18,19,20,
    23);
    DDORHAWNAXTQBY-UHFFFAOYSA-N    		 c1cc(ccc1CCC2=C(NC(=O)NC2=O)C(=O)O)C(F)(
    F)F; OC(=O)C1=C(CCc2ccc(cc2)C(F)(F)F)C(=
    O)NC(=O)N1; O=C1NC(C(=O)O)=C(C(=O)N1)CCc
    2ccc(cc2)C(F)(F)F    		 2,6-dioxo-5-{2-[4-(trifluoromethyl)phenyl]ethyl}-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
    49552
    ZRP    		 1 C23 H28 N4 O InChI=1S/C23H28N4O/c1-3-4
    -5-9-14-25-18-12-13-21-19
    (15-18)22(20(16-26-21)23(
    28)24-2)27-17-10-7-6-8-11
    -17/h6-8,10-13,15-16,25H,
    3-5,9,14H2,1-2H3,(H,24,28
    )(H,26,27);
    VPTGXKPVJHDKIV-UHFFFAOYSA-N    		 CCCCCCNc1ccc2ncc(C(=O)NC)c(Nc3ccccc3)c2c
    1; CCCCCCNc1ccc2c(c1)c(c(cn2)C(=O)NC)Nc3
    ccccc3; CNC(=O)c1cnc2ccc(cc2c1Nc1ccccc1)
    NCCCCCC    		 4-anilino-6-(hexylamino)-N-methylquinoline-3-carboxamide
    49553
    ZRR
    CHEMBL4541595    		 2 C22 H28 N10 O InChI=1S/C22H28N10O/c1-14
    (2)32-28-21(27-29-32)16-9
    -18(11-19(33)10-16)26-22-
    20-15(3-8-31(20)25-13-24-
    22)12-30-6-4-17(23)5-7-30
    /h3,8-11,13-14,17,33H,4-7
    ,12,23H2,1-2H3,(H,24,25,2
    6);
    CNACSDYVLFCDEW-UHFFFAOYSA-N    		 CC(C)n1nc(nn1)c2cc(cc(c2)O)Nc3c4c(ccn4nc
    n3)CN5CCC(CC5)N; CC(C)n1nnc(n1)c2cc(O)cc
    (Nc3ncnn4ccc(CN5CCC(N)CC5)c34)c2; CC(C)n
    1nc(nn1)c1cc(O)cc(Nc2ncnn3ccc(CN4CCC(N)C
    C4)c32)c1    		 (5P)-3-({(8R)-5-[(4-aminopiperidin-1-yl)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl}amino)-5-[2-(propan-2-yl)-2H-tetrazol-5-yl]phenol
    49554
    ZRS
    ZINC000000158898    		 1 C9 H7 N3 O2 InChI=1S/C9H7N3O2/c13-9(1
    4)7-1-3-8(4-2-7)12-6-10-5
    -11-12/h1-6H,(H,13,14);
    FOMQQGKCPYKKHQ-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)O)n2cncn2; OC(=O)c1ccc(cc1
    )n2cncn2; O=C(O)c1ccc(cc1)n1cncn1    		 4-(1H-1,2,4-triazol-1-yl)benzoic acid
    49555
    ZRT    		 3 C30 H36 N8 O3 InChI=1S/C30H36N8O3/c1-5-
    28(39)32-23-17-24(26(40-4
    )18-25(23)37-13-15-41-16-
    14-37)33-30-31-12-11-27(3
    4-30)38-20-22(19-36(2)3)2
    9(35-38)21-9-7-6-8-10-21/
    h6-12,17-18,20H,5,13-16,1
    9H2,1-4H3,(H,32,39)(H,31,
    33,34);
    JCMFJBUWEYTTAQ-UHFFFAOYSA-N    		 CCC(=O)Nc1cc(c(cc1N2CCOCC2)OC)Nc3nccc(n3
    )n4cc(c(n4)c5ccccc5)CN(C)C; CN(C)Cc1cn(n
    c1c1ccccc1)c1nc(ncc1)Nc1cc(NC(=O)CC)c(cc
    1OC)N1CCOCC1; CCC(=O)Nc1cc(Nc2nccc(n2)n3
    cc(CN(C)C)c(n3)c4ccccc4)c(OC)cc1N5CCOCC5    		 N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide;
    lazertinib, bound form
    49556
    ZRU
    CHEMBL5415951    		 3 C17 H19 N7 O2 InChI=1S/C17H19N7O2/c1-18
    -14-8-13(22-12-4-3-7-19-1
    7(12)26-2)23-15-11(9-20-2
    4(14)15)16(25)21-10-5-6-1
    0/h3-4,7-10,18H,5-6H2,1-2
    H3,(H,21,25)(H,22,23);
    HANGACPWNQHVPZ-UHFFFAOYSA-N    		 CNc1cc(Nc2cccnc2OC)nc3n1ncc3C(=O)NC4CC4;
    COc1ncccc1Nc1cc(NC)n2ncc(c2n1)C(=O)NC1C
    C1; CNc1cc(nc2n1ncc2C(=O)NC3CC3)Nc4cccnc
    4OC    		 (8S)-N-cyclopropyl-5-[(2-methoxypyridin-3-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
    49557
    ZRV    		 2 C30 H28 F2 N4 O2 InChI=1S/C30H28F2N4O2/c1-
    2-3-13-33-29(37)21-12-9-1
    8(14-25(21)31)22-15-23-27
    (16-26(22)32)34-17-24(30(
    38)36-20-10-11-20)28(23)3
    5-19-7-5-4-6-8-19/h4-9,12
    ,14-17,20H,2-3,10-11,13H2
    ,1H3,(H,33,37)(H,34,35)(H
    ,36,38);
    DBDGLOMDGKMHIN-UHFFFAOYSA-N    		 CCCCNC(=O)c1ccc(cc1F)c2cc3c(cc2F)ncc(C(=
    O)NC4CC4)c3Nc5ccccc5; CCCCNC(=O)c1ccc(cc
    1F)c2cc3c(cc2F)ncc(c3Nc4ccccc4)C(=O)NC5C
    C5; CCCCNC(=O)c1ccc(cc1F)c1cc2c(Nc3ccccc
    3)c(cnc2cc1F)C(=O)NC1CC1    		 4-anilino-6-[4-(butylcarbamoyl)-3-fluorophenyl]-N-cyclopropyl-7-fluoroquinoline-3-carboxamide
    49558
    ZRW    		 3 H2 O61 P2 W17 Zr InChI=1S/2HO4P.H2O.52O.17
    W.Zr/c2*1-5(2,3)4;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;/h2*5H;1H2;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;/q;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;+1;/p-1;
    LRQWFSUELMUBNO-UHFFFAOYSA-M    		 O.O=[W]123O[Zr]45O[W]67(O[PH]89O[W]%10%1
    1(=O)(O4)O[W]%12(=O)(O5)O[W]%13%14(=O)O[
    W]%15%16(=O)(O[PH]%17%18O[W]%19%20%21(=O
    )O[W]%22(=O)(O1)O[W]%23(=O)(O8)(O6)O[W](
    =O)(O7)(O[W]%24(=O)(O[W](=O)(O%23)(O%19)
    O[W]%25%26(=O)(O%24)O[W]%27(=O)(O%13)(O%
    15)O[W](=O)(O%20)(O[W](=O)(O%17)(O%14)(O
    [W](=O)(O9)(O2)(O%12)O%22)O%21)(O%25)[O]
    %18%26%27)O%16)O%10)O%11)O3; O=[W]1234O[
    Zr]56O[W]78(=O)(O1)O[W]91%10(=O)O[W]%11%
    12(=O)(O2)O[W]2%13%14(=O)O%11P%11%15O9[W
    ]9%16(=O)(O1)O[W]1%17(=O)(O7)O8P78O3[W]3
    (=O)(O4)(O2)O[W]24(=O)(O5)O7[W](O6)(O2)(
    O1)(O[W]12(=O)(O%17)O8[W](=O)(O4)(O3)(O1
    )O[W]13(=O)(O%13)O%11[W](=O)(O1)(O9)(O2)
    O[W]12(=O)(O%16)O%154[W](=O)(O%12)(O%10)
    (O1)O[W]4(=O)(O%14)(O3)O2)[O]    		 W-Zr-cluster
    49559
    ZRY
    ZINC000070503730    		 1 C14 H12 N4 InChI=1S/C14H12N4/c15-13-
    11-8-4-5-9-12(11)14(16-13
    )18-17-10-6-2-1-3-7-10/h1
    -9,17H,(H2,15,16,18);
    XBVFGEHZRVLBOS-UHFFFAOYSA-N    		 NC1=NC(=N/Nc2ccccc2)\c3ccccc13; NC1=NC(=
    NNc2ccccc2)c3ccccc13; NC1=N/C(=N\Nc2cccc
    c2)c2ccccc12; c1ccc(cc1)NN=C2c3ccccc3C(=
    N2)N; c1ccc(cc1)N/N=C\2/c3ccccc3C(=N2)N    		 (1Z,3Z)-3-(2-phenylhydrazinylidene)-2,3-dihydro-1H-isoindol-1-imine
    49560
    ZRZ
    ZINC000238205893    		 9 C16 H19 N O4 InChI=1S/C16H19NO4/c18-14
    (12-4-3-5-13(10-12)15(19)
    20)17-8-9-21-16(11-17)6-1
    -2-7-16/h3-5,10H,1-2,6-9,
    11H2,(H,19,20);
    WRSNGBAODXMMQK-UHFFFAOYSA-N    		 OC(=O)c1cccc(c1)C(=O)N2CCOC3(CCCC3)C2; c
    1cc(cc(c1)C(=O)O)C(=O)N2CCOC3(C2)CCCC3;
    O=C(O)c1cccc(c1)C(=O)N1CC2(CCCC2)OCC1    		 3-(6-oxa-9-azaspiro[4.5]decane-9-carbonyl)benzoic acid
    49561
    ZS0
    CHEMBL5200638
    ZINC000038681305    		 1 C12 H9 F N4 O S InChI=1S/C12H9FN4OS/c13-8
    -3-1-7(2-4-8)5-17-10-9(14
    -6-15-10)11(18)16-12(17)1
    9/h1-4,6H,5H2,(H,14,15)(H
    ,16,18,19);
    GMNQNGTVFNOHLD-UHFFFAOYSA-N    		 Fc1ccc(CN2C(=S)NC(=O)c3[nH]cnc23)cc1; c1
    cc(ccc1CN2c3c([nH]cn3)C(=O)NC2=S)F; Fc1c
    cc(cc1)CN3c2ncnc2C(=O)NC3=S    		 3-(4-FLUOROBENZYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE
    49562
    ZS1
    CHEMBL3185395
    ZINC000000388558    		 4 C8 H7 N3 InChI=1S/C8H7N3/c9-7-5-3-
    1-2-4-6(5)8(10)11-7/h1-4H
    ,(H3,9,10,11);
    RZVCEPSDYHAHLX-UHFFFAOYSA-N    		 NC1=NC(=N)c2ccccc12; c1ccc2c(c1)C(=NC2=N
    )N; [H]/N=C\1/c2ccccc2C(=N1)N; N=C1N=C(N
    )c2ccccc12    		 (1Z)-1-imino-1H-isoindol-3-amine
    49563
    ZS2
    ZINC000584905724    		 1 C30 H24 F N7 O3 InChI=1S/C30H24FN7O3/c1-1
    6-26(29(40)36-20-7-9-24-1
    9(12-20)14-34-38-24)27(37
    -30(41)35-16)18-6-8-23(31
    )22(13-18)28(39)33-15-25-
    21-5-3-2-4-17(21)10-11-32
    -25/h2-14,27H,15H2,1H3,(H
    ,33,39)(H,34,38)(H,36,40)
    (H2,35,37,41)/t27-/m0/s1;
    UGYAZGXSMRGKRD-MHZLTWQESA-N    		 CC1=C(C(NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c4c
    cccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6; CC
    1=C([CH](NC(=O)N1)c2ccc(F)c(c2)C(=O)NCc3
    nccc4ccccc34)C(=O)Nc5ccc6[nH]ncc6c5; CC1
    =C([C@@H](NC(=O)N1)c2ccc(c(c2)C(=O)NCc3c
    4ccccc4ccn3)F)C(=O)Nc5ccc6c(c5)cn[nH]6;
    CC1=C([C@@H](NC(=O)N1)c2ccc(F)c(c2)C(=O)
    NCc3nccc4ccccc34)C(=O)Nc5ccc6[nH]ncc6c5    		 (4~{S})-4-[4-fluoranyl-3-(isoquinolin-1-ylmethylcarbamoyl)phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide
    49564
    ZS3
    CHEMBL5405569    		 3 C21 H18 F2 N8 O2 InChI=1S/C21H18F2N8O2/c1-
    24-17-9-16(29-18-11(10-26
    -31(17)18)20(32)28-15-8-1
    3(15)23)27-14-5-3-7-30(21
    (14)33)19-12(22)4-2-6-25-
    19/h2-7,9-10,13,15,24H,8H
    2,1H3,(H,27,29)(H,28,32)/
    t13-,15+/m0/s1;
    FFJRAFFUQOURPS-DZGCQCFKSA-N    		 CNc1cc(nc2n1ncc2C(=O)N[C@@H]3C[C@@H]3F)N
    C4=CC=CN(C4=O)c5c(cccn5)F; Fc1cccnc1N1C=
    CC=C(Nc2cc(NC)n3ncc(c3n2)C(=O)NC2CC2F)C1
    =O; CNc1cc(NC2=CC=CN(C2=O)c3ncccc3F)nc4n
    1ncc4C(=O)N[CH]5C[CH]5F; CNc1cc(NC2=CC=C
    N(C2=O)c3ncccc3F)nc4n1ncc4C(=O)N[C@@H]5C
    [C@@H]5F; CNc1cc(nc2n1ncc2C(=O)NC3CC3F)N
    C4=CC=CN(C4=O)c5c(cccn5)F    		 (8S)-N-[(1R,2S)-2-fluorocyclopropyl]-5-{[(1M,2'M)-3'-fluoro-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
    49565
    ZS4
    CHEMBL586702
    DB12904
    ZINC000001912926    		 1 C19 H21 F2 N7 O2 InChI=1S/C19H21F2N7O2/c20
    -15(21)16-22-13-3-1-2-4-1
    4(13)28(16)19-24-17(26-5-
    9-29-10-6-26)23-18(25-19)
    27-7-11-30-12-8-27/h1-4,1
    5H,5-12H2;
    HGVNLRPZOWWDKD-UHFFFAOYSA-N    		 FC(F)c1nc2ccccc2n1c3nc(nc(n3)N4CCOCC4)N5
    CCOCC5; FC(F)c2nc1ccccc1n2c3nc(nc(n3)N4C
    COCC4)N5CCOCC5; c1ccc2c(c1)nc(n2c3nc(nc(
    n3)N4CCOCC4)N5CCOCC5)C(F)F    		 2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-1H-benzimidazole
    49566
    ZS5
    ZINC000004200358    		 4 C13 H13 N O3 S InChI=1S/C13H13NO3S/c15-1
    1-6-7-13(9-4-2-1-3-5-9)14
    (11)10(8-18-13)12(16)17/h
    1-5,10H,6-8H2,(H,16,17)/t
    10-,13+/m0/s1;
    MYHDKADJYJOFCW-GXFFZTMASA-N    		 OC(=O)[CH]1CS[C]2(CCC(=O)N12)c3ccccc3; O
    C(=O)[C@@H]1CS[C@]2(CCC(=O)N12)c3ccccc3;
    c1ccc(cc1)C23CCC(=O)N2C(CS3)C(=O)O; O=C
    (O)C1CSC2(CCC(=O)N12)c1ccccc1; c1ccc(cc1
    )[C@]23CCC(=O)N2[C@@H](CS3)C(=O)O    		 (3R,4S,7aR)-5-oxo-7a-phenylhexahydropyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
    49567
    ZS7
    ZINC000004528689    		 2 C8 H6 N2 O InChI=1S/C8H6N2O/c9-7-5-3
    -1-2-4-6(5)8(11)10-7/h1-4
    H,(H2,9,10,11);
    MMBYJYAFFGKUDC-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=NC2=O)N; NC1=NC(=O)c2ccccc
    12    		 3-amino-1H-isoindol-1-one
    49568
    ZS8
    ZINC000584905720    		 0 C11 H19 N O2 InChI=1S/C11H19NO2/c1-3-4
    -5-6-7-8-9-11(2,12)10(13)
    14/h5-9,12H2,1-2H3,(H,13,
    14)/t11-/m0/s1;
    IEDCXEQAWYUWSL-NSHDSACASA-N    		 CC#CCCCCC[C](C)(N)C(O)=O; CC#CCCCCCC(C)(
    C(=O)O)N; CC#CCCCCC[C@@](C)(C(=O)O)N; NC
    (C(=O)O)(C)CCCCCC#CC; CC#CCCCCC[C@](C)(N
    )C(O)=O    		 (2S)-2-amino-2-methyldec-8-ynoic acid
    49569
    ZS9    		 3 C15 H20 O2 InChI=1S/C15H20O2/c1-8-4-
    7-12-10(3)15(16)17-14(12)
    13-9(2)5-6-11(8)13/h10-14
    H,1-2,4-7H2,3H3/t10-,11-,
    12+,13-,14+/m0/s1;
    UJADCNYXDHHISU-PDWCTOEPSA-N    		 CC1C2CCC(=C)C3CCC(=C)C3C2OC1=O; C[CH]1[C
    H]2CCC(=C)[CH]3CCC(=C)[CH]3[CH]2OC1=O; C
    [C@H]1[C@H]2CCC(=C)[C@@H]3CCC(=C)[C@@H]3
    [C@@H]2OC1=O; C=C1CCC2C(C)C(=O)OC2C2C1CC
    C2=C    		 dehydrocostus lactone, bound form
    49570
    ZSA
    ZINC000013571731    		 2 C9 H10 N6 InChI=1S/C9H10N6/c10-7-5-
    3-1-2-4-6(5)8(13-7)14-15-
    9(11)12/h1-4H,(H2,10,13,1
    4)(H4,11,12,15);
    MMCURALNZRAPHY-UHFFFAOYSA-N    		 N=C(N)N\N=C1/N=C(N)c2ccccc21; c1ccc2c(c1
    )C(=NC2=NNC(=N)N)N; c1ccc\2c(c1)C(=N/C2=
    N\NC(=N)N)N; NC(=N)N/N=C/1N=C(N)c2ccccc/
    12; NC(=N)NN=C1N=C(N)c2ccccc12    		 (2Z)-2-(3-amino-1H-isoindol-1-ylidene)hydrazine-1-carboximidamide
    49571
    ZSB
    CHEMBL5314423
    DB19278    		 3 C23 H24 N8 O3 InChI=1S/C23H24N8O3/c1-24
    -20-12-18(27-16-6-5-11-30
    (23(16)33)19-7-3-4-10-25-
    19)29-21-14(13-26-31(20)2
    1)22(32)28-15-8-9-17(15)3
    4-2/h3-7,10-13,15,17,24H,
    8-9H2,1-2H3,(H,27,29)(H,2
    8,32)/t15-,17-/m1/s1;
    BWINBHTTZLVXGT-NVXWUHKLSA-N    		 CNc1cc(nc2n1ncc2C(=O)NC3CCC3OC)NC4=CC=CN
    (C4=O)c5ccccn5; CNc1cc(nc2n1ncc2C(=O)N[C
    @@H]3CC[C@H]3OC)NC4=CC=CN(C4=O)c5ccccn5;
    CNc1cc(NC2=CC=CN(C2=O)c3ccccn3)nc4n1ncc
    4C(=O)N[C@@H]5CC[C@H]5OC; CNc1cc(NC2=CC=
    CN(C2=O)c3ccccn3)nc4n1ncc4C(=O)N[CH]5CC[
    CH]5OC; COC1CCC1NC(=O)c1cnn2c(cc(nc12)NC
    1=CC=CN(c2ccccn2)C1=O)NC    		 (8S)-N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-{[(1P,2'P)-2-oxo-2H-[1,2'-bipyridin]-3-yl]amino}pyrazolo[1,5-a]pyrimidine-3-carboxamide;
    TAK-279
    49572
    ZSC    		 0 C10 H11 N O6 S InChI=1S/C10H11NO6S/c1-11
    (18(2,16)17)8-4-6(9(12)13
    )3-7(5-8)10(14)15/h3-5H,1
    -2H3,(H,12,13)(H,14,15);
    AQLCCKNBQHJPIB-UHFFFAOYSA-N    		 O=S(=O)(N(c1cc(cc(c1)C(=O)O)C(=O)O)C)C;
    CN(c1cc(cc(c1)C(=O)O)C(=O)O)S(=O)(=O)C;
    CN(c1cc(cc(c1)C(O)=O)C(O)=O)[S](C)(=O)=O    		 5-[methyl(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
    49573
    ZSD
    ZINC000072434670    		 1 C18 H24 N8 O InChI=1S/C18H24N8O/c1-12-
    16(13(2)27-23-12)10-24(3)
    8-14-6-15-9-25(4-5-26(15)
    22-14)18-7-17(19)20-11-21
    -18/h6-7,11H,4-5,8-10H2,1
    -3H3,(H2,19,20,21);
    UIAMVAYKSCWAMB-UHFFFAOYSA-N    		 CN(Cc1cc2CN(CCn2n1)c3cc(N)ncn3)Cc4c(C)on
    c4C; CN(Cc1c(C)onc1C)Cc1cc2CN(CCn2n1)c1c
    c(N)ncn1; Cc1c(c(on1)C)CN(C)Cc2cc3n(n2)C
    CN(C3)c4cc(ncn4)N    		 6-[(8R)-2-({[(3,5-dimethyl-1,2-oxazol-4-yl)methyl](methyl)amino}methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]pyrimidin-4-amine
    49574
    ZSF    		 2 C10 H20 N5 O25 P7 InChI=1S/C10H20N5O25P7/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-7(17)6(16)4(34-10)1
    -33-42(21,22)36-44(25,26)
    38-46(29,30)40-47(31,32)3
    9-45(27,28)37-43(23,24)35
    -41(18,19)20/h2-4,6-7,10,
    16-17H,1H2,(H,21,22)(H,23
    ,24)(H,25,26)(H,27,28)(H,
    29,30)(H,31,32)(H2,11,12,
    13)(H2,18,19,20)/t4-,6-,7
    -,10-/m1/s1;
    CLTPWCJSZCAWDP-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O
    )(O)OP(=O)(O)O)O)O)N; O=P(O)(O)OP(=O)(O)
    OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=
    O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O; c1
    nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H
    ](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(
    O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)
    O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@
    H]3O; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O
    )(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[
    P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)
    [CH]3O    		 adenosine 5'-heptaphosphate
    49575
    ZSG    		 1 C15 H22 N8 O InChI=1S/C15H22N8O/c1-21(
    2)6-5-17-14(24)12-9-11-10
    -22(7-8-23(11)20-12)13-3-
    4-18-15(16)19-13/h3-4,9H,
    5-8,10H2,1-2H3,(H,17,24)(
    H2,16,18,19);
    SOQWCHRGAQNWSN-UHFFFAOYSA-N    		 CN(C)CCNC(=O)c1cc2CN(CCn2n1)c3ccnc(N)n3;
    CN(C)CCNC(=O)c1cc2CN(CCn2n1)c1ccnc(N)n1
    ; CN(C)CCNC(=O)c1cc2n(n1)CCN(C2)c3ccnc(n
    3)N    		 (8S)-5-(2-aminopyrimidin-4-yl)-N-[2-(dimethylamino)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
    49576
    ZSI    		 2 C38 H46 N10 O17 P2 InChI=1S/C38H46N10O17P2/c
    1-16-7-21-22(8-17(16)2)48
    -26(51)10-20(18-5-4-6-19(
    9-18)33(55)40-3)38(48)35(
    44-37(57)45-36(38)56)46(2
    1)11-23(49)28(52)24(50)12
    -62-66(58,59)65-67(60,61)
    63-13-25-29(53)30(54)34(6
    4-25)47-15-43-27-31(39)41
    -14-42-32(27)47/h4-9,14-1
    5,20,23-26,28-30,34,49-54
    H,10-13H2,1-3H3,(H,40,55)
    (H,58,59)(H,60,61)(H2,39,
    41,42)(H,45,56,57)/t20-,2
    3-,24+,25+,26+,28-,29+,30
    +,34+,38-/m0/s1;
    OFQIHTOYKCFYNP-CJJJTBNSSA-N    		 CNC(=O)c1cccc(c1)C1CC(O)N2c3cc(C)c(C)cc3
    N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC3OC
    (n4cnc5c(N)ncnc54)C(O)C3O)C3=NC(=O)NC(=O
    )C123; Cc1cc2c(cc1C)N3[C@@H](C[C@H]([C@]
    34C(=O)NC(=O)N=C4N2C[C@@H]([C@@H]([C@@H]
    (COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H]([C@H]
    ([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O)c8cc
    cc(c8)C(=O)NC)O; CNC(=O)c1cccc(c1)[CH]2C
    [CH](O)N3c4cc(C)c(C)cc4N(C[CH](O)[CH](O)
    [CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[C
    H]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)C8=NC(
    =O)NC(=O)[C]238; CNC(=O)c1cccc(c1)[C@@H]
    2C[C@@H](O)N3c4cc(C)c(C)cc4N(C[C@H](O)[C
    @H](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[
    C@H]5O[C@H]([C@H](O)[C@@H]5O)n6cnc7c(N)n
    cnc67)C8=NC(=O)NC(=O)[C@@]238; Cc1cc2c(c
    c1C)N3C(CC(C34C(=O)NC(=O)N=C4N2CC(C(C(CO
    P(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6nc
    nc7N)O)O)O)O)O)c8cccc(c8)C(=O)NC)O    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-[3-(methylcarbamoyl)phenyl]-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)
    49577
    ZSJ
    ZINC000002181868    		 1 C10 H15 N O S InChI=1S/C10H15NOS/c1-13-
    10-4-2-9(3-5-10)8-11-6-7-
    12/h2-5,11-12H,6-8H2,1H3;
    MXNHNDNJEDGUBO-UHFFFAOYSA-N    		 CSc1ccc(CNCCO)cc1; CSc1ccc(cc1)CNCCO 2-({[4-(methylsulfanyl)phenyl]methyl}amino)ethan-1-ol
    49578
    ZSL    		 2 C16 H23 N5 O13 P2 S InChI=1S/C16H23N5O13P2S/c
    17-13-8-14(19-3-18-13)21(
    4-20-8)15-11(24)9(22)6(32
    -15)1-30-35(25,26)34-36(2
    7,28)31-2-7-10(23)12-16(3
    3-7)37-5-29-12/h3-4,6-7,9
    -12,15-16,22-24H,1-2,5H2,
    (H,25,26)(H,27,28)(H2,17,
    18,19)/t6-,7-,9-,10-,11-,
    12-,15-,16-/m1/s1;
    JPGLSFZFEDXQNE-MLCZKHQMSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]
    ([C@@H]5[C@H](O4)SCO5)O)O)O)N; Nc1ncnc2c
    1ncn2C1OC(COP(=O)(O)OP(=O)(O)OCC2OC3SCOC
    3C2O)C(O)C1O; Nc1ncnc2n(cnc12)[CH]3O[CH]
    (CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]5SCO
    [CH]5[CH]4O)[CH](O)[CH]3O; c1nc(c2c(n1)n
    (cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C
    (C5C(O4)SCO5)O)O)O)N; Nc1ncnc2n(cnc12)[C
    @@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)OC[C@
    H]4O[C@@H]5SCO[C@@H]5[C@@H]4O)[C@@H](O)[
    C@H]3O    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(3aR,5R,6R,6aR)-6-hydroxytetrahydro-2H-furo[2,3-d][1,3]oxathiol-5-yl]methyl dihydrogen diphosphate (non-preferred name)
    49579
    ZSM
    CHEMBL501448
    ZINC000003845289    		 1 C10 H14 N4 S2 InChI=1S/C10H14N4S2/c11-9
    (12)15-5-7-1-2-8(4-3-7)6-
    16-10(13)14/h1-4H,5-6H2,(
    H3,11,12)(H3,13,14);
    PWMGHDCLHPWGBX-UHFFFAOYSA-N    		 NC(=N)SCc1ccc(CSC(N)=N)cc1; N=C(N)SCc1cc
    c(CSC(=N)N)cc1; c1cc(ccc1CSC(=N)N)CSC(=N
    )N    		 (1,4-phenylene)bis(methylene) dicarbamimidothioate
    49580
    ZSN    		 0 C3 H7 N3 O3 InChI=1S/C3H7N3O3/c4-2(7)
    1-6(5)3(8)9/h1,5H2,(H2,4,
    7)(H,8,9);
    AYJPQGDWEDBSTK-UHFFFAOYSA-N    		 O=C(N)CN(N)C(=O)O; C(C(=O)N)N(C(=O)O)N;
    NN(CC(N)=O)C(O)=O    		 1-(2-amino-2-oxoethyl)hydrazinecarboxylic acid;
    Aza-asparagine
    49581
    ZSO    		 1 C19 H20 F N3 O InChI=1S/C19H20FN3O/c20-1
    6-3-1-13(2-4-16)18-7-8-21
    -10-15(18)12-24-17-5-6-19
    -14(9-17)11-22-23-19/h1-6
    ,9,11,15,18,21H,7-8,10,12
    H2,(H,22,23)/t15-,18-/m0/
    s1;
    ICFQMYOLILBYFP-YJBOKZPZSA-N    		 c1cc(ccc1C2CCNCC2COc3ccc4c(c3)c[nH]n4)F;
    c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)
    c[nH]n4)F; Fc4ccc(C1CCNCC1COc3cc2cnnc2cc
    3)cc4; Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3c
    cc4n[nH]cc4c3; Fc1ccc(cc1)[CH]2CCNC[CH]2
    COc3ccc4n[nH]cc4c3    		 5-{[(3S,4R)-4-(4-fluorophenyl)piperidin-3-yl]methoxy}-2H-indazole
    49582
    ZSP
    ZINC000103562712    		 12 C9 H11 N5 O3 InChI=1S/C9H11N5O3/c1-3(1
    5)6(16)4-2-11-7-5(12-4)8(
    17)14-9(10)13-7/h15-16H,2
    H2,1H3,(H4,10,11,13,14,17
    )/b6-3-;
    FYDGMRRMOMSOLR-UTCJRWHESA-N    		 C/C(=C(\C1=NC2=C(NC1)N=C(NC2=O)N)/O)/O;
    CC(O)=C(O)C1=NC2=C(NC1)N=C(N)NC2=O; CC(/
    O)=C(O)\C1=NC2=C(NC1)N=C(N)NC2=O; CC(=C(
    C1=NC2=C(NC1)N=C(NC2=O)N)O)O; O=C1C=2N=C
    (C(\O)=C(\O)C)CNC=2N=C(N)N1    		 2-amino-6-[(1Z)-1,2-dihydroxyprop-1-en-1-yl]-7,8-dihydropteridin-4(3H)-one;
    Sepiapterin (enol-form)
    49583
    ZSS
    ZINC000073658678    		 3 C9 H11 Cl N2 S InChI=1S/C9H11ClN2S/c1-6(
    13-9(11)12)7-2-4-8(10)5-3
    -7/h2-6H,1H3,(H3,11,12)/t
    6-/m1/s1;
    LMPMLIXDHLWEBJ-ZCFIWIBFSA-N    		 C[CH](SC(N)=N)c1ccc(Cl)cc1; [H]/N=C(/N)\
    S[C@H](C)c1ccc(cc1)Cl; Clc1ccc(cc1)C(C)S
    C(=N)N; CC(c1ccc(cc1)Cl)SC(=N)N; C[C@@H]
    (SC(N)=N)c1ccc(Cl)cc1    		 (1R)-1-(4-chlorophenyl)ethyl carbamimidothioate
    49584
    ZST
    CHEMBL10372
    DB08772
    ZINC000000538557    		 20 C19 H12 F3 N3 O3 S InChI=1S/C19H12F3N3O3S/c2
    0-19(21,22)10-5-6-15-14(7
    -10)23-16(29-15)9-25-18(2
    8)12-4-2-1-3-11(12)13(24-
    25)8-17(26)27/h1-7H,8-9H2
    ,(H,26,27);
    BCSVCWVQNOXFGL-UHFFFAOYSA-N    		 FC(F)(F)c1cc2nc(sc2cc1)CN3N=C(c4ccccc4C3
    =O)CC(=O)O; c1ccc2c(c1)C(=NN(C2=O)Cc3nc4
    cc(ccc4s3)C(F)(F)F)CC(=O)O; OC(=O)CC1=NN
    (Cc2sc3ccc(cc3n2)C(F)(F)F)C(=O)c4ccccc14    		 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID
    49585
    ZSV    		 8 C32 H35 N2 O8 InChI=1S/C32H34N2O8/c1-3-
    16-34(18-22-6-4-5-7-26(22
    )31(37)33-17-21-8-11-24(4
    0-2)12-9-21)19-23-10-14-2
    7-30(29(23)32(38)39)41-20
    -25(42-27)13-15-28(35)36/
    h3-12,14,25H,1,13,15-20H2
    ,2H3,(H,33,37)(H,35,36)(H
    ,38,39)/p+1/t25-/m0/s1;
    ZRNNRYOIYQTQFF-VWLOTQADSA-O    		 COc1ccc(CNC(=O)c2ccccc2C[NH+](CC=C)Cc3cc
    c4O[C@@H](CCC(O)=O)COc4c3C(O)=O)cc1; COc
    1ccc(cc1)CNC(=O)c2ccccc2C[NH+](CC=C)Cc3c
    cc4c(c3C(=O)O)OCC(O4)CCC(=O)O; COc1ccc(C
    NC(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4O[CH](C
    CC(O)=O)COc4c3C(O)=O)cc1; COc1ccc(cc1)CN
    C(=O)c2ccccc2C[NH+](CC=C)Cc3ccc4c(c3C(=O
    )O)OC[C@@H](O4)CCC(=O)O    		 (R)-[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl-[[2-[(4-methoxyphenyl)methylcarbamoyl]phenyl]methyl]-prop-2-enyl-azanium
    49586
    ZSW    		 8 C28 H35 N2 O7 InChI=1S/C28H34N2O7/c1-4-
    14-30(15-19-8-6-7-9-22(19
    )27(33)29-18(3)5-2)16-20-
    10-12-23-26(25(20)28(34)3
    5)36-17-21(37-23)11-13-24
    (31)32/h4,6-10,12,18,21H,
    1,5,11,13-17H2,2-3H3,(H,2
    9,33)(H,31,32)(H,34,35)/p
    +1/t18-,21+/m1/s1;
    AGZZKFCNWHLQQG-NQIIRXRSSA-O    		 CC[C@@H](C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2
    ccc3c(c2C(=O)O)OC[C@@H](O3)CCC(=O)O; CC[
    CH](C)NC(=O)c1ccccc1C[NH+](CC=C)Cc2ccc3O
    [CH](CCC(O)=O)COc3c2C(O)=O; CCC(C)NC(=O)
    c1ccccc1C[NH+](CC=C)Cc2ccc3c(c2C(=O)O)OC
    C(O3)CCC(=O)O; CC[C@@H](C)NC(=O)c1ccccc1
    C[NH+](CC=C)Cc2ccc3O[C@@H](CCC(O)=O)COc3
    c2C(O)=O    		 (R)-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]methyl-[[(2S)-5-carboxy-2-(2-carboxyethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]-prop-2-enyl-azanium
    49587
    ZSX
    ZINC000004202290    		 0 C9 H11 N O3 InChI=1S/C9H11NO3/c1-13-7
    -4-2-6(3-5-7)8(10)9(11)12
    /h2-5,8H,10H2,1H3,(H,11,1
    2)/t8-/m1/s1;
    GXUAKXUIILGDKW-MRVPVSSYSA-N    		 COc1ccc(cc1)[CH](N)C(O)=O; COc1ccc(cc1)C
    (C(=O)O)N; COc1ccc(cc1)[C@H](C(=O)O)N; C
    Oc1ccc(cc1)[C@@H](N)C(O)=O; COc1ccc(cc1)
    C(N)C(=O)O    		 (2R)-amino(4-methoxyphenyl)acetic acid
    49588
    ZSY
    ZINC000071839240    		 1 C19 H17 N3 O3 InChI=1S/C19H17N3O3/c23-1
    8-15(8-9-16(21-18)17-5-3-
    11-25-17)19(24)22(14-6-7-
    14)12-13-4-1-2-10-20-13/h
    1-5,8-11,14H,6-7,12H2,(H,
    21,23);
    VTYIZPVGHMMFAO-UHFFFAOYSA-N    		 Oc1nc(ccc1C(=O)N(Cc2ccccn2)C3CC3)c4occc4
    ; O=C(c1ccc(nc1O)c1ccco1)N(Cc1ccccn1)C1C
    C1; c1ccnc(c1)CN(C2CC2)C(=O)c3ccc(nc3O)c
    4ccco4    		 N-cyclopropyl-6-(furan-2-yl)-2-hydroxy-N-[(pyridin-2-yl)methyl]pyridine-3-carboxamide
    49589
    ZT0    		 4 C26 H27 N2 O6 InChI=1S/C26H26N2O6/c1-28
    (15-19-9-12-22-24(34-16-3
    3-22)23(19)26(30)31)14-18
    -5-3-4-6-21(18)25(29)27-1
    3-17-7-10-20(32-2)11-8-17
    /h3-12H,13-16H2,1-2H3,(H,
    27,29)(H,30,31)/p+1;
    YWMUPSLVZDTDIZ-UHFFFAOYSA-O    		 COc1ccc(CNC(=O)c2ccccc2C[NH+](C)Cc3ccc4O
    COc4c3C(O)=O)cc1; C[NH+](Cc1ccccc1C(=O)N
    Cc2ccc(cc2)OC)Cc3ccc4c(c3C(=O)O)OCO4; O=
    C(NCc1ccc(OC)cc1)c2ccccc2C[NH+](C)Cc3ccc
    4OCOc4c3C(=O)O    		 (4-CARBOXY-1,3-BENZODIOXOL-5-YL)-N-{2-[(4-METHOXYBENZYL)CARBAMOYL]BENZYL}-N-METHYLMETHANAMINIUM
    49590
    ZT1    		 0 C14 H26 N4 O2 InChI=1S/C14H26N4O2/c1-11
    (2)18(9-12-8-16-10-17(12)
    3)7-5-4-6-13(15)14(19)20/
    h8,10-11,13H,4-7,9,15H2,1
    -3H3,(H,19,20)/t13-/m0/s1;
    LXXPOZGLFXPWOY-ZDUSSCGKSA-N    		 CC(C)N(CCCC[C@@H](C(=O)O)N)Cc1cncn1C; CC
    (C)N(CCCC[C@H](N)C(O)=O)Cc1cncn1C; Cn1cn
    cc1CN(CCCCC(N)C(=O)O)C(C)C; CC(C)N(CCCCC
    (C(=O)O)N)Cc1cncn1C; CC(C)N(CCCC[CH](N)C
    (O)=O)Cc1cncn1C    		 N~6~-[(1-methyl-1H-imidazol-5-yl)methyl]-N~6~-propan-2-yl-L-lysine
    49591
    ZT2
    ZINC000095920890    		 16 C18 H12 O5 InChI=1S/C18H12O5/c19-14-
    8-10-3-1-2-4-12(10)13(14)
    7-11-5-6-15-17(23-9-22-15
    )16(11)18(20)21/h1-7H,8-9
    H2,(H,20,21)/b13-7+;
    WRNAEMYUELGDPO-NTUHNPAUSA-N    		 c1ccc\2c(c1)CC(=O)/C2=C/c3ccc4c(c3C(=O)O
    )OCO4; OC(=O)c1c2OCOc2ccc1\C=C/3C(=O)Cc4
    ccccc/34; O=C2C(\c1ccccc1C2)=C\c3ccc4OCO
    c4c3C(=O)O; OC(=O)c1c2OCOc2ccc1C=C3C(=O)
    Cc4ccccc34; c1ccc2c(c1)CC(=O)C2=Cc3ccc4c
    (c3C(=O)O)OCO4    		 5-[(E)-(2-OXO-2,3-DIHYDRO-1H-INDEN-1-YLIDENE)METHYL]-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
    49592
    ZT3    		 6 C25 H28 N4 O InChI=1S/C25H28N4O/c1-16-
    8-13-21-22(17(16)2)29(15-
    18-7-6-14-26-23(18)28-21)
    24(30)27-20-11-9-19(10-12
    -20)25(3,4)5/h6-14H,15H2,
    1-5H3,(H,26,28)(H,27,30);
    RHGZKBFOWYGLDJ-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cc1)NC(=O)N1Cc2cccnc2Nc2cc
    c(C)c(C)c21; Cc1ccc2c(c1C)N(Cc3cccnc3N2)
    C(=O)Nc4ccc(cc4)C(C)(C)C; Cc1ccc2Nc3nccc
    c3CN(C(=O)Nc4ccc(cc4)C(C)(C)C)c2c1C    		 N-(4-tert-butylphenyl)-7,8-dimethyl-5,11-dihydro-6H-pyrido[2,3-b][1,5]benzodiazepine-6-carboxamide
    49593
    ZT4
    ZINC000095920888    		 4 C18 H14 O5 InChI=1S/C18H14O5/c19-14-
    8-10-3-1-2-4-12(10)13(14)
    7-11-5-6-15-17(23-9-22-15
    )16(11)18(20)21/h1-7,14,1
    9H,8-9H2,(H,20,21)/b13-7+
    /t14-/m0/s1;
    SLQGUUWKGRSNCG-GUNGLEHYSA-N    		 O[CH]1Cc2ccccc2C1=Cc3ccc4OCOc4c3C(O)=O;
    O[C@H]1Cc2ccccc2\C1=C/c3ccc4OCOc4c3C(O)=
    O; c1ccc2c(c1)CC(C2=Cc3ccc4c(c3C(=O)O)OC
    O4)O; O=C(O)c1c(ccc2OCOc12)/C=C4\c3ccccc
    3CC4O    		 5-{(E)-[(2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YLIDENE]METHYL}-1,3-BENZODIOXOLE-4-CARBOXYLIC ACID
    49594
    ZT6    		 0 C18 H30 Cl N O4 Si InChI=1S/C18H30ClNO4Si/c1
    -10(2)25(11(3)4,12(5)6)24
    -17(16(20)18(22)23)13-7-8
    -15(21)14(19)9-13/h7-12,1
    6-17,21H,20H2,1-6H3,(H,22
    ,23)/t16-,17+/m0/s1;
    FNRYKHQDTZHUJG-DLBZAZTESA-N    		 CC(C)[Si](O[CH]([CH](N)C(O)=O)c1ccc(O)c(
    Cl)c1)(C(C)C)C(C)C; CC(C)[Si](C(C)C)(C(C
    )C)O[C@H](c1ccc(c(c1)Cl)O)[C@@H](C(=O)O)
    N; Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C
    )C)C(N)C(=O)O; CC(C)[Si](C(C)C)(C(C)C)OC
    (c1ccc(c(c1)Cl)O)C(C(=O)O)N; CC(C)[Si](O
    [C@@H]([C@H](N)C(O)=O)c1ccc(O)c(Cl)c1)(C
    (C)C)C(C)C    		 (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine
    49595
    ZT7    		 2 C10 H10 N2 O InChI=1S/C10H10N2O/c1-7(1
    3)12-5-8-2-3-10(11)4-9(8)
    6-12/h2-6H,11H2,1H3;
    QUEOWOVPZRUSRH-UHFFFAOYSA-N    		 CC(=O)n1cc2ccc(N)cc2c1; CC(=O)n1cc2ccc(c
    c2c1)N    		 1-(5-amino-2H-isoindol-2-yl)ethan-1-one
    49596
    ZT9    		 0 C9 H11 N O2 S InChI=1S/C9H11NO2S/c1-12-
    7-4-2-6(3-5-7)8(10)9(11)1
    3/h2-5,8H,10H2,1H3,(H,11,
    13)/t8-/m1/s1;
    INSVIGJTBISSTF-MRVPVSSYSA-N    		 COc1ccc(cc1)C(C(=S)O)N; COc1ccc(cc1)C(N)
    C(O)=S; COc1ccc(cc1)[C@@H](N)C(O)=S; COc
    1ccc(cc1)[C@H](C(=S)O)N; COc1ccc(cc1)[CH
    ](N)C(O)=S    		 (2R)-amino(4-methoxyphenyl)ethanethioic O-acid
    49597
    ZTA    		 1 C15 H10 O3 InChI=1S/C15H10O3/c16-9-1
    3-12-8-11(15-2-1-7-18-15)
    4-3-10(12)5-6-14(13)17/h1
    -9,17H;
    VJXXMWQMXRJRKS-UHFFFAOYSA-N    		 Oc1ccc2ccc(cc2c1C=O)c3occc3; O=Cc1c2cc(c
    cc2ccc1O)c1ccco1; c1cc(oc1)c2ccc3ccc(c(c
    3c2)C=O)O    		 (7M)-7-(furan-2-yl)-2-hydroxynaphthalene-1-carbaldehyde
    49598
    ZTC
    ZINC000004202366    		 0 C10 H13 N O4 InChI=1S/C10H13NO4/c1-14-
    7-3-6(9(11)10(12)13)4-8(5
    -7)15-2/h3-5,9H,11H2,1-2H
    3,(H,12,13)/t9-/m0/s1;
    PUDUIVFPKSOBOR-VIFPVBQESA-N    		 COc1cc(OC)cc(c1)[CH](N)C(O)=O; COc1cc(cc
    (OC)c1)C(N)C(=O)O; COc1cc(cc(c1)OC)C(C(=
    O)O)N; COc1cc(cc(c1)OC)[C@@H](C(=O)O)N;
    COc1cc(OC)cc(c1)[C@H](N)C(O)=O    		 (2S)-amino(3,5-dimethoxyphenyl)acetic acid
    49599
    ZTD
    ZINC000095921110    		 4 C20 H23 N3 O6 InChI=1S/C20H23N3O6/c1-12
    -7-16(29-22-12)9-18(25)23
    -11-15(24)8-17(23)19(26)2
    1-10-13-3-5-14(6-4-13)20(
    27)28-2/h3-7,15,17,24H,8-
    11H2,1-2H3,(H,21,26)/t15-
    ,17+/m1/s1;
    HMFSOBWOOWBCBL-WBVHZDCISA-N    		 O=C(N2C(C(=O)NCc1ccc(C(=O)OC)cc1)CC(O)C2
    )Cc3onc(c3)C; Cc1cc(on1)CC(=O)N2C[C@@H](
    C[C@H]2C(=O)NCc3ccc(cc3)C(=O)OC)O; COC(=
    O)c1ccc(CNC(=O)[CH]2C[CH](O)CN2C(=O)Cc3o
    nc(C)c3)cc1; COC(=O)c1ccc(CNC(=O)[C@@H]2
    C[C@@H](O)CN2C(=O)Cc3onc(C)c3)cc1; Cc1cc
    (on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)C(=O
    )OC)O    		 METHYL 4-[({(4R)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLYL}AMINO)METHYL]BENZOATE
    49600
    ZTE    		 4 C16 H16 N6 O4 S2 InChI=1S/C16H16N6O4S2/c17
    -10(5-13(18)23)16(24)22-2
    8(25,26)9-3-1-2-8(4-9)12-
    6-11-14(27-12)15(19)21-7-
    20-11/h1-4,6-7,10H,5,17H2
    ,(H2,18,23)(H,22,24)(H2,1
    9,20,21)/t10-/m0/s1;
    YYLYXTNPSXPFAU-JTQLQIEISA-N    		 c1cc(cc(c1)S(=O)(=O)NC(=O)C(CC(=O)N)N)c2
    cc3c(s2)c(ncn3)N; N[CH](CC(N)=O)C(=O)N[S
    ](=O)(=O)c1cccc(c1)c2sc3c(N)ncnc3c2; NC(
    =O)CC(N)C(=O)NS(=O)(=O)c1cccc(c1)c1cc2nc
    nc(N)c2s1; c1cc(cc(c1)S(=O)(=O)NC(=O)[C@
    H](CC(=O)N)N)c2cc3c(s2)c(ncn3)N; N[C@@H]
    (CC(N)=O)C(=O)N[S](=O)(=O)c1cccc(c1)c2sc
    3c(N)ncnc3c2    		 N~1~-[(3M)-3-(4-aminothieno[3,2-d]pyrimidin-6-yl)benzene-1-sulfonyl]-L-aspartamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).