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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    45201
    ZKI    		 1 C17 H14 Cl2 N4 O InChI=1S/C17H14Cl2N4O/c18
    -14-7-12-13(8-15(14)19)17
    (21-11-3-6-24-9-11)23-22-
    16(12)10-1-4-20-5-2-10/h1
    -2,4-5,7-8,11H,3,6,9H2,(H
    ,21,23)/t11-/m1/s1;
    VPPZBKRTEZMHNH-LLVKDONJSA-N    		 Clc1cc2c(N[C@@H]3CCOC3)nnc(c4ccncc4)c2cc
    1Cl; Clc1cc2c(nnc(c3ccncc3)c2cc1Cl)NC1CC
    OC1; c1cnccc1c2c3cc(c(cc3c(nn2)NC4CCOC4)
    Cl)Cl; c1cnccc1c2c3cc(c(cc3c(nn2)N[C@@H]
    4CCOC4)Cl)Cl; Clc1cc2c(N[CH]3CCOC3)nnc(c
    4ccncc4)c2cc1Cl    		 6,7-dichloro-N-[(3R)-oxolan-3-yl]-4-(pyridin-4-yl)phthalazin-1-amine
    45202
    ZKJ    		 2 C36 H45 F3 N6 O9 S InChI=1S/C36H45F3N6O9S/c1
    -20-30(41-27-16-23(52-4)1
    2-13-25(27)40-20)54-24-17
    -28-29(46)43-35(32(48)44-
    55(50,51)34(3)14-15-34)18
    -22(35)10-8-6-5-7-9-11-26
    (31(47)45(28)19-24)42-33(
    49)53-21(2)36(37,38)39/h8
    ,10,12-13,16,21-22,24,26,
    28H,5-7,9,11,14-15,17-19H
    2,1-4H3,(H,42,49)(H,43,46
    )(H,44,48)/b10-8-/t21-,22
    -,24-,26+,28+,35-/m1/s1;
    RTCPQVJDZHADDP-XVMCOVDDSA-N    		 Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C
    =CCCCCCC(C(=O)N4C3)NC(=O)OC(C)C(F)(F)F)C
    (=O)NS(=O)(=O)C6(CC6)C; COc1ccc2nc(C)c(O
    [C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C
    /[C@@H]5C[C@]5(NC4=O)C(=O)N[S](=O)(=O)C6
    (C)CC6)NC(=O)O[C@H](C)C(F)(F)F)nc2c1; CO
    c1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](
    CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=
    O)C6(C)CC6)NC(=O)O[CH](C)C(F)(F)F)nc2c1;
    CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc
    4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C)
    C(F)(F)F)CCCCCC=CC2C1; Cc1c(nc2cc(ccc2n1
    )OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/
    C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C
    )C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C    		 (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
    45203
    ZKK
    ZINC000198087977    		 2 C26 H42 N7 O19 P3 S InChI=1S/C26H42N7O19P3S/c
    1-13(8-16(35)36)25(40)56-
    7-6-28-15(34)4-5-29-23(39
    )20(38)26(2,3)10-49-55(46
    ,47)52-54(44,45)48-9-14-1
    9(51-53(41,42)43)18(37)24
    (50-14)33-12-32-17-21(27)
    30-11-31-22(17)33/h11-14,
    18-20,24,37-38H,4-10H2,1-
    3H3,(H,28,34)(H,29,39)(H,
    35,36)(H,44,45)(H,46,47)(
    H2,27,30,31)(H2,41,42,43)
    /t13-,14+,18+,19+,20-,24+
    /m0/s1;
    OUFHQHVVFSERRI-VKBDFPRVSA-N    		 C[C@@H](CC(O)=O)C(=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)n
    2cnc3c(N)ncnc23; C[CH](CC(O)=O)C(=O)SCCN
    C(=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)ncnc23; CC(CC(=O)O)C(=
    O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP
    (=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(
    =O)(O)O)O; C[C@@H](CC(=O)O)C(=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)n2cnc3c
    2ncnc3N)O)OP(=O)(O)O)O    		 (2S)-Methylsuccinyl-CoA;
    (3S)-4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-butanoic acid
    45204
    ZKL    		 1 C15 H23 N3 O3 InChI=1S/C15H23N3O3/c1-3-
    4-7-16-15(20)18-9-8-17(11
    -12(18)2)14(19)13-6-5-10-
    21-13/h5-6,10,12H,3-4,7-9
    ,11H2,1-2H3,(H,16,20)/t12
    -/m1/s1;
    HESHQILVHQSCOB-GFCCVEGCSA-N    		 CCCCNC(=O)N1CCN(C[C@@H]1C)C(=O)c2occc2;
    CCCCNC(=O)N1CCN(C[C@@H]1C)C(=O)c2ccco2;
    O=C(N1CCN(C(=O)NCCCC)C(C)C1)c1ccco1; CCC
    CNC(=O)N1CCN(C[CH]1C)C(=O)c2occc2; CCCCN
    C(=O)N1CCN(CC1C)C(=O)c2ccco2    		 (2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
    45205
    ZKM
    ZINC000085587916    		 4 C40 H77 N O11 S InChI=1S/C40H77NO11S/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-34(43)33(32-5
    0-40-38(46)39(52-53(47,48
    )49)37(45)35(31-42)51-40)
    41-36(44)30-28-26-24-22-2
    0-18-16-14-12-10-8-6-4-2/
    h27,29,33-35,37-40,42-43,
    45-46H,3-26,28,30-32H2,1-
    2H3,(H,41,44)(H,47,48,49)
    /b29-27+/t33-,34+,35+,37-
    ,38+,39-,40+/m0/s1;
    CJGVDSGIQZDLDO-PHLJAKBWSA-N    		 CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C
    @H](CO)[C@H](O)[C@H](O[S](O)(=O)=O)[C@H]
    1O)[C@H](O)/C=C/CCCCCCCCCCCCC; CCCCCCCCC
    CCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)
    (=O)O)O)C(C=CCCCCCCCCCCCCC)O; CCCCCCCCCC
    CCC\C=C\C(O)C(COC1OC(CO)C(O)C(OS(=O)(=O)
    O)C1O)NC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCC
    CCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C
    @H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/
    C=C/CCCCCCCCCCCCC)O; CCCCCCCCCCCCCCCC(=O
    )N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](
    O)(=O)=O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC    		 N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide
    45206
    ZKO    		 0 C9 H14 N2 O6 InChI=1S/C9H14N2O6/c10-6(
    12)2-1-5(9(16)17)11-7(13)
    3-4-8(14)15/h5H,1-4H2,(H2
    ,10,12)(H,11,13)(H,14,15)
    (H,16,17)/t5-/m0/s1;
    RLYZAJHMBJUMAP-YFKPBYRVSA-N    		 C(CC(=O)N)C(C(=O)O)NC(=O)CCC(=O)O; NC(=O
    )CC[CH](NC(=O)CCC(O)=O)C(O)=O; NC(=O)CC[
    C@H](NC(=O)CCC(O)=O)C(O)=O    		 N-SUCCINYL-GLUTAMINE;
    5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid
    45207
    ZKP    		 2 C H3 Fe3 S4 InChI=1S/CH3S.3Fe.3S/c1-2
    ;;;;;;/h1H3;;;;;;;
    NMYMZQNZHUHIMW-UHFFFAOYSA-N    		 C[S]1[Fe]2S[Fe]3[S]2[Fe]1S3; CS[Fe]1S[Fe
    ]S[Fe]S1    		 FE3-S4 methylated cluster
    45208
    ZKQ    		 1 C16 H16 F N3 O3 InChI=1S/C16H16FN3O3/c17-
    12-4-1-2-5-13(12)18-16(22
    )20-9-7-19(8-10-20)15(21)
    14-6-3-11-23-14/h1-6,11H,
    7-10H2,(H,18,22);
    DRSQTYLODSUBKE-UHFFFAOYSA-N    		 O=C(N1CCN(CC1)C(=O)Nc1ccccc1F)c1ccco1; c
    1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)F
    ; Fc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3    		 N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
    45209
    ZKR    		 7 C5 H4 B F3 O2 S InChI=1S/C5H4BF3O2S/c7-5(
    8,9)3-1-2-4(12-3)6(10)11/
    h1-2,10-11H;
    NHBZQJOZVBHDAZ-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(s1)B(O)O; OB(O)c1sc(cc1)C(
    F)(F)F; B(c1ccc(s1)C(F)(F)F)(O)O    		 [5-(trifluoromethyl)thiophen-2-yl]boronic acid
    45210
    ZKS
    CHEMBL1242023
    ZINC000095615598    		 2 C6 H19 O27 P7 InChI=1S/C6H19O27P7/c7-34
    (8,9)27-1-2(28-35(10,11)1
    2)4(30-37(16,17)18)6(32-4
    0(25,26)33-39(22,23)24)5(
    31-38(19,20)21)3(1)29-36(
    13,14)15/h1-6H,(H,25,26)(
    H2,7,8,9)(H2,10,11,12)(H2
    ,13,14,15)(H2,16,17,18)(H
    2,19,20,21)(H2,22,23,24)/
    t1-,2-,3-,4+,5-,6-/m1/s1;
    UPHPWXPNZIOZJL-XCMZKKERSA-N    		 O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](
    O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=
    O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; C
    1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)
    (O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=
    O)(O)O; O[P](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[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](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
    )OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O
    )O; O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)
    O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
    P(=O)(O)O    		 (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
    45211
    ZKU    		 1 C15 H16 N4 O3 InChI=1S/C15H16N4O3/c20-1
    4(12-4-3-11-22-12)18-7-9-
    19(10-8-18)15(21)17-13-5-
    1-2-6-16-13/h1-6,11H,7-10
    H2,(H,16,17,21);
    KPHBWCVSZXZCHM-UHFFFAOYSA-N    		 O=C(Nc1ccccn1)N2CCN(CC2)C(=O)c3occc3; O=
    C(N1CCN(CC1)C(=O)Nc1ccccn1)c1ccco1; c1cc
    nc(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3    		 4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide
    45212
    ZKV    		 1 C20 H22 Cl F2 N3 O InChI=1S/C20H22ClF2N3O/c1
    -14-2-4-16(25-11-14)12-24
    -13-20(23)6-8-26(9-7-20)1
    9(27)15-3-5-18(22)17(21)1
    0-15/h2-5,10-11,24H,6-9,1
    2-13H2,1H3;
    PKZXLMVXBZICTF-UHFFFAOYSA-N    		 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c3ccc(F)c(Cl
    )c3)nc1; Cc1ccc(nc1)CNCC2(CCN(CC2)C(=O)c
    3ccc(c(c3)Cl)F)F    		 (3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
    45213
    ZKW
    CHEMBL4561845
    ZINC000004808502    		 2 C12 H8 Cl2 N2 O4 InChI=1S/C12H8Cl2N2O4/c13
    -7-2-1-6(8(14)3-7)5-16-10
    (12(19)20)4-9(15-16)11(17
    )18/h1-4H,5H2,(H,17,18)(H
    ,19,20);
    FIUGGBBCGGFVRL-UHFFFAOYSA-N    		 c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O
    ; OC(=O)c1cc(n(Cc2ccc(Cl)cc2Cl)n1)C(O)=O
    ; O=C(O)c1cc(nn1Cc2c(Cl)cc(Cl)cc2)C(=O)O    		 1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
    45214
    ZKZ    		 1 C18 H21 N3 O4 InChI=1S/C18H21N3O4/c1-19
    -18(23)21-11-9-20(10-12-2
    1)17(22)16-8-7-15(25-16)1
    3-24-14-5-3-2-4-6-14/h2-8
    H,9-13H2,1H3,(H,19,23);
    QBRVSAXGTOEUNH-UHFFFAOYSA-N    		 CNC(=O)N1CCN(CC1)C(=O)c2oc(COc3ccccc3)cc
    2; CNC(=O)N1CCN(CC1)C(=O)c1ccc(COc2ccccc
    2)o1; CNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)COc
    3ccccc3    		 N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide
    45215
    ZL1
    CHEMBL4455682    		 2 C27 H20 F2 N4 O4 InChI=1S/C27H20F2N4O4/c28
    -17-5-8-19(9-6-17)33-13-1
    -2-21(27(33)36)26(35)31-1
    8-7-10-23(22(29)14-18)37-
    20-11-12-30-24(15-20)32-2
    5(34)16-3-4-16/h1-2,5-16H
    ,3-4H2,(H,31,35)(H,30,32,
    34);
    UFWJGUUHERHCOL-UHFFFAOYSA-N    		 O=C(Nc1nccc(c1)Oc1ccc(cc1F)NC(=O)C1=CC=C
    N(c2ccc(F)cc2)C1=O)C1CC1; c1cc(ccc1N2C=C
    C=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4)N
    C(=O)C5CC5)F; Fc1ccc(cc1)N2C=CC=C(C(=O)N
    c3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)C2=O    		 N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
    45216
    ZL3    		 1 C14 H21 N3 O3 InChI=1S/C14H21N3O3/c1-10
    (2)15-14(19)16-6-7-17(11(
    3)9-16)13(18)12-5-4-8-20-
    12/h4-5,8,10-11H,6-7,9H2,
    1-3H3,(H,15,19)/t11-/m1/s
    1;
    VFOPSAKXHHWNTF-LLVKDONJSA-N    		 CC1CN(CCN1C(=O)c2ccco2)C(=O)NC(C)C; CC(C
    )NC(=O)N1CCN([CH](C)C1)C(=O)c2occc2; CC(
    C)NC(=O)N1CCN([C@@H](C)C1)C(=O)c2occc2;
    O=C(N1CCN(CC1C)C(=O)NC(C)C)c1ccco1; C[C@
    H]1CN(CCN1C(=O)c2ccco2)C(=O)NC(C)C    		 (3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide
    45217
    ZL4    		 3 C37 H54 N5 O4 InChI=1S/C37H53N5O4/c1-2-
    37(45,46)16-9-7-8-12-31-3
    3-38-26-32(39-33)28-13-14
    -29-27(24-28)15-21-42(35(
    29)44)20-11-6-4-3-5-10-19
    -41-22-17-36(18-23-41)25-
    30(36)34(43)40-31/h13-15,
    21,24,26,30-31,45-46H,2-1
    2,16-20,22-23,25H2,1H3,(H
    2,38,39,40,43,44)/p+1/t30
    -,31+/m1/s1;
    RPBUYCMDTDPYHG-JSOSNVBQSA-O    		 CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccc4c(c3)c
    c[n+](c4O)CCCCCCCCN5CCC6(CC5)C[C@@H]6C(=
    O)N1)(O)O; CCC(O)(O)CCCCCC1NC(=O)C2CC32C
    CN(CCCCCCCC[n+]2ccc4cc(ccc4c2O)c2cnc1[NH
    ]2)CC3; CCC(O)(O)CCCCC[CH]1NC(=O)[CH]2CC
    23CCN(CCCCCCCC[n+]4ccc5cc(ccc5c4O)c6[nH]
    c1nc6)CC3; CCC(CCCCCC1c2[nH]c(cn2)-c3ccc
    4c(c3)cc[n+](c4O)CCCCCCCCN5CCC6(CC5)CC6C
    (=O)N1)(O)O; CCC(O)(O)CCCCC[C@@H]1NC(=O)
    [C@H]2CC23CCN(CCCCCCCC[n+]4ccc5cc(ccc5c4
    O)c6[nH]c1nc6)CC3    		 (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name)
    45218
    ZL5    		 2 C18 H14 F4 N6 InChI=1S/C18H14F4N6/c1-10
    -4-3-5-12-16(13-8-11(18(2
    0,21)22)6-7-14(13)19)25-2
    8(17(10)12)9-15-23-26-27(
    2)24-15/h3-8H,9H2,1-2H3;
    MMEFXWUINPSTPN-UHFFFAOYSA-N    		 Cn1nc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c3cccc(C
    )c23)nn1; Cn1nnc(Cn2nc(c3cc(ccc3F)C(F)(F
    )F)c4cccc(C)c24)n1; Cc1cccc2c1n(nc2c3cc(
    ccc3F)C(F)(F)F)Cc4nnn(n4)C    		 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole
    45219
    ZL6    		 1 C28 H33 N3 O3 InChI=1S/C28H33N3O3/c1-3-
    20-17-24(22-9-11-29-12-10
    -22)18-21(4-2)27(20)30-25
    -8-5-7-23(26(25)28(32)33)
    19-31-13-6-15-34-16-14-31
    /h5,7-12,17-18,30H,3-4,6,
    13-16,19H2,1-2H3,(H,32,33
    );
    DYKGFUNWMFFSJF-UHFFFAOYSA-N    		 CCc1cc(cc(c1Nc2cccc(c2C(=O)O)CN3CCCOCC3)
    CC)c4ccncc4; CCc1cc(cc(CC)c1Nc2cccc(CN3C
    CCOCC3)c2C(O)=O)c4ccncc4    		 2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid
    45220
    ZL7    		 1 C23 H31 F4 N3 O5 S InChI=1S/C23H31F4N3O5S/c1
    -2-17(19(31)22(33)28-16-9
    -10-16)30-21(32)18(12-36(
    34,35)11-13-3-4-13)29-20(
    23(25,26)27)14-5-7-15(24)
    8-6-14/h5-8,13,16-20,29,3
    1H,2-4,9-12H2,1H3,(H,28,3
    3)(H,30,32)/t17-,18-,19+,
    20-/m0/s1;
    DXQKITXDEYCCEL-HAGHYFMRSA-N    		 OC(C(CC)NC(=O)C(CS(=O)(=O)CC1CC1)NC(c1cc
    c(F)cc1)C(F)(F)F)C(=O)NC1CC1; CCC(C(C(=O
    )NC1CC1)O)NC(=O)C(CS(=O)(=O)CC2CC2)NC(c3
    ccc(cc3)F)C(F)(F)F; CC[C@@H]([C@H](C(=O)
    NC1CC1)O)NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[
    C@@H](c3ccc(cc3)F)C(F)(F)F; CC[C@H](NC(=
    O)[C@H](C[S](=O)(=O)CC1CC1)N[C@@H](c2ccc
    (F)cc2)C(F)(F)F)[C@@H](O)C(=O)NC3CC3; CC
    [CH](NC(=O)[CH](C[S](=O)(=O)CC1CC1)N[CH]
    (c2ccc(F)cc2)C(F)(F)F)[CH](O)C(=O)NC3CC3    		 (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)
    45221
    ZL8    		 1 C23 H27 Cl N4 O3 S InChI=1S/C23H27ClN4O3S/c2
    4-19-4-1-3-17(15-19)22(30
    )26-9-2-10-27(13-12-26)23
    (31)25-8-5-21(29)28-11-6-
    20-18(16-28)7-14-32-20/h1
    ,3-4,7,14-15H,2,5-6,8-13,
    16H2,(H,25,31);
    QVFQIIVBSCFNLP-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)C(=O)N2CCCN(CC2)C(=O)NCCC(
    =O)N3CCc4c(ccs4)C3; Clc1cccc(c1)C(=O)N2C
    CCN(CC2)C(=O)NCCC(=O)N3CCc4sccc4C3; Clc1
    cccc(c1)C(=O)N1CCCN(CC1)C(=O)NCCC(=O)N1C
    Cc2sccc2C1    		 4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide
    45222
    ZL9    		 1 C20 H24 N2 O5 InChI=1S/C20H24N2O5/c1-24
    -18-5-2-3-6-19(18)26-12-1
    0-21-9-4-11-25-15-7-8-17-
    16(13-15)22-20(23)14-27-1
    7/h2-3,5-8,13,21H,4,9-12,
    14H2,1H3,(H,22,23);
    JIDGHQZPZOREIN-UHFFFAOYSA-N    		 COc1ccccc1OCCNCCCOc2ccc3c(c2)NC(=O)CO3;
    COc1ccccc1OCCNCCCOc2ccc3OCC(=O)Nc3c2    		 6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one
    45223
    ZLA    		 1 C33 H35 N7 O4 InChI=1S/C33H35N7O4/c41-2
    9(37-33(32(43)44)12-4-1-5
    -13-33)16-20-14-24(21-8-9
    -21)30(25(15-20)22-10-11-
    22)40-19-23(38-39-40)17-3
    5-31(42)28-18-34-26-6-2-3
    -7-27(26)36-28/h2-3,6-7,1
    4-15,18-19,21-22H,1,4-5,8
    -13,16-17H2,(H,35,42)(H,3
    7,41)(H,43,44);
    BZXDUAKTLARJRN-UHFFFAOYSA-N    		 c1ccc2c(c1)ncc(n2)C(=O)NCc3cn(nn3)c4c(cc
    (cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7;
    OC(=O)C1(CCCCC1)NC(=O)Cc2cc(C3CC3)c(n4c
    c(CNC(=O)c5cnc6ccccc6n5)nn4)c(c2)C7CC7;
    O=C(O)C1(CCCCC1)NC(=O)Cc1cc(c(c(c1)C1CC1
    )n1cc(nn1)CNC(=O)c1cnc2ccccc2n1)C1CC1    		 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid
    45224
    ZLC    		 1 C16 H19 N3 O3 S InChI=1S/C16H19N3O3S/c1-1
    2-4-5-14(22-12)15(20)18-6
    -8-19(9-7-18)16(21)17-11-
    13-3-2-10-23-13/h2-5,10H,
    6-9,11H2,1H3,(H,17,21);
    FSJIDIRPKORUPE-UHFFFAOYSA-N    		 Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccs3;
    Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCc3sccc3
    ; O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1ccc(C)o
    1    		 4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
    45225
    ZLD
    CHEMBL126
    DB00601
    ZINC000002008866    		 1 C16 H20 F N3 O4 InChI=1S/C16H20FN3O4/c1-1
    1(21)18-9-13-10-20(16(22)
    24-13)12-2-3-15(14(17)8-1
    2)19-4-6-23-7-5-19/h2-3,8
    ,13H,4-7,9-10H2,1H3,(H,18
    ,21)/t13-/m0/s1;
    TYZROVQLWOKYKF-ZDUSSCGKSA-N    		 CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3
    CCOCC3; CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N
    3CCOCC3)c(F)c2; O=C1OC(CNC(=O)C)CN1c3cc(
    F)c(N2CCOCC2)cc3; CC(=O)NCC1CN(C(=O)O1)c
    2ccc(c(c2)F)N3CCOCC3; CC(=O)NC[CH]1CN(C(
    =O)O1)c2ccc(N3CCOCC3)c(F)c2    		 N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide;
    Linezolid
    45226
    ZLE    		 4 C14 H15 N3 O InChI=1S/C14H15N3O/c1-2-1
    4(18)17-12-5-3-4-10(8-12)
    11-6-7-16-13(15)9-11/h3-9
    H,2H2,1H3,(H2,15,16)(H,17
    ,18);
    KMUHVBPNEFKYMG-UHFFFAOYSA-N    		 CCC(=O)Nc1cccc(c1)c2ccnc(c2)N; CCC(=O)Nc
    1cccc(c1)c2ccnc(N)c2    		 ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide
    45227
    ZLF    		 0 C11 H14 F N O2 S InChI=1S/C11H14FNO2S/c1-7
    -2-8(4-9(12)3-7)5-16-6-10
    (13)11(14)15/h2-4,10H,5-6
    ,13H2,1H3,(H,14,15)/t10-/
    m0/s1;
    USVLRZDFSGVOCB-JTQLQIEISA-N    		 Cc1cc(cc(c1)F)CSCC(C(=O)O)N; Cc1cc(F)cc(
    CSC[CH](N)C(O)=O)c1; Cc1cc(F)cc(CSC[C@H]
    (N)C(O)=O)c1    		 S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE;
    2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid
    45228
    ZLG    		 1 C34 H35 F N6 O4 InChI=1S/C34H35FN6O4/c35-
    24-9-11-28-23(17-24)8-10-
    29(37-28)32(43)36-18-25-1
    9-41(40-39-25)31-26(21-4-
    5-21)14-20(15-27(31)22-6-
    7-22)16-30(42)38-34(33(44
    )45)12-2-1-3-13-34/h8-11,
    14-15,17,19,21-22H,1-7,12
    -13,16,18H2,(H,36,43)(H,3
    8,42)(H,44,45);
    RNZLLYIHGGOVPO-UHFFFAOYSA-N    		 c1cc(nc2c1cc(cc2)F)C(=O)NCc3cn(nn3)c4c(c
    c(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7
    ; O=C(O)C1(CCCCC1)NC(=O)Cc1cc(c(c(c1)C1C
    C1)n1cc(nn1)CNC(=O)c1ccc2cc(F)ccc2n1)C1C
    C1; OC(=O)C1(CCCCC1)NC(=O)Cc2cc(C3CC3)c(
    n4cc(CNC(=O)c5ccc6cc(F)ccc6n5)nn4)c(c2)C
    7CC7    		 antabactin;
    1-{2-[3,5-dicyclopropyl-4-(4-{[(6-fluoroquinoline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid
    45229
    ZLH    		 1 C15 H21 N3 O3 InChI=1S/C15H21N3O3/c1-11
    -10-17(14(19)13-3-2-8-21-
    13)6-7-18(11)15(20)16-9-1
    2-4-5-12/h2-3,8,11-12H,4-
    7,9-10H2,1H3,(H,16,20)/t1
    1-/m0/s1;
    ICUJAPAHFNAKBW-NSHDSACASA-N    		 O=C(N1CCN(C(=O)NCC2CC2)C(C)C1)c1ccco1; C
    [C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3occc3;
    C[CH]1CN(CCN1C(=O)NCC2CC2)C(=O)c3occc3;
    CC1CN(CCN1C(=O)NCC2CC2)C(=O)c3ccco3; C[
    C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3ccco3    		 (2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
    45230
    ZLI    		 1 C14 H15 N O S InChI=1S/C14H15NOS/c1-11-
    4-6-12(7-5-11)10-15-14(16
    )9-13-3-2-8-17-13/h2-8H,9
    -10H2,1H3,(H,15,16);
    CWLVAWNDMFRWPI-UHFFFAOYSA-N    		 Cc1ccc(cc1)CNC(=O)Cc2cccs2; Cc1ccc(CNC(=
    O)Cc2sccc2)cc1    		 ~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide
    45231
    ZLJ
    ZINC000004261819    		 1 C2 H5 Cl O3 S InChI=1S/C2H5ClO3S/c3-1-2
    -7(4,5)6/h1-2H2,(H,4,5,6);
    FXKMTSIKHBYZSZ-UHFFFAOYSA-N    		 ClCCS(=O)(=O)O; C(CCl)S(=O)(=O)O; O[S](=
    O)(=O)CCCl    		 2-chloroethane-1-sulfonic acid
    45232
    ZLK
    CHEMBL603
    DB00549
    ZINC000000896717    		 4 C31 H33 N3 O6 S InChI=1S/C31H33N3O6S/c1-2
    0-8-4-7-11-29(20)41(37,38
    )33-30(35)22-13-12-21(28(
    17-22)39-3)16-23-19-34(2)
    27-15-14-24(18-26(23)27)3
    2-31(36)40-25-9-5-6-10-25
    /h4,7-8,11-15,17-19,25H,5
    -6,9-10,16H2,1-3H3,(H,32,
    36)(H,33,35);
    YEEZWCHGZNKEEK-UHFFFAOYSA-N    		 COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)
    cc23)C(=O)N[S](=O)(=O)c5ccccc5C; Cc1cccc
    c1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c
    3cc(cc4)NC(=O)OC5CCCC5)C    		 zafirlukast
    45233
    ZLL    		 28 C19 H20 Br F2 N3 O InChI=1S/C19H20BrF2N3O/c2
    0-16-3-1-14(2-4-16)12-23-
    19(26)25-7-5-24(6-8-25)13
    -15-9-17(21)11-18(22)10-1
    5/h1-4,9-11H,5-8,12-13H2,
    (H,23,26);
    HRSJZGGIFGZVFD-UHFFFAOYSA-N    		 Fc1cc(F)cc(CN2CCN(CC2)C(=O)NCc3ccc(Br)cc
    3)c1; c1cc(ccc1CNC(=O)N2CCN(CC2)Cc3cc(cc
    (c3)F)F)Br    		 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
    45234
    ZLM    		 3 C33 H47 N5 O4 InChI=1S/C33H47N5O4/c1-4-
    33(41,42)14-9-7-8-10-27(3
    6-30(39)26-21-32(26)15-18
    -37(5-2)19-16-32)29-34-22
    -28(35-29)24-11-12-25-23(
    20-24)13-17-38(6-3)31(25)
    40/h11-13,17,20,22,26-27,
    41-42H,4-10,14-16,18-19,2
    1H2,1-3H3,(H,34,35)(H,36,
    39)/t26-,27+/m1/s1;
    UGJJVROKAWKMLZ-SXOMAYOGSA-N    		 CCN1CCC2(CC1)C[CH]2C(=O)N[CH](CCCCCC(O)(
    O)CC)c3[nH]c(cn3)c4ccc5C(=O)N(CC)C=Cc5c4
    ; O=C1c2ccc(cc2C=CN1CC)c1cnc([NH]1)C(CCC
    CCC(O)(O)CC)NC(=O)C1CC21CCN(CC)CC2; CCC(
    CCCCC[C@@H](c1[nH]c(cn1)c2ccc3c(c2)C=CN(
    C3=O)CC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O;
    CCN1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](CCCCC
    C(O)(O)CC)c3[nH]c(cn3)c4ccc5C(=O)N(CC)C=
    Cc5c4; CCC(CCCCCC(c1[nH]c(cn1)c2ccc3c(c2
    )C=CN(C3=O)CC)NC(=O)C4CC45CCN(CC5)CC)(O)
    O    		 (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide
    45235
    ZLO    		 2 C5 H7 N3 O S2 InChI=1S/C5H7N3OS2/c1-3(9
    )6-4-7-5(10-2)8-11-4/h1-2
    H3,(H,6,7,8,9);
    OMEQZPBOTOKCQC-UHFFFAOYSA-N    		 CSc1nsc(NC(C)=O)n1; CC(=O)Nc1nc(ns1)SC ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide
    45236
    ZLP
    CHEMBL2041942
    ZINC000084654577    		 2 C32 H44 N4 O10 S InChI=1S/C32H44N4O10S/c1-
    20(2)16-36(47(39,40)22-10
    -11-23-26(15-22)45-31(33-
    3)34-23)17-25(37)24(14-21
    -8-6-5-7-9-21)35-32(38)46
    -28-19-44-30-29(28)27(18-
    43-30)42-13-12-41-4/h5-11
    ,15,20,24-25,27-30,37H,12
    -14,16-19H2,1-4H3,(H,33,3
    4)(H,35,38)/t24-,25+,27-,
    28-,29-,30+/m0/s1;
    RAYAFQVLXHNDSC-CFUDKJTHSA-N    		 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C
    @H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=
    O)(=O)c4ccc5c(c4)O/C(=N\C)/N5; O=S(=O)(c
    2cc1O\C(=N/C)Nc1cc2)N(CC(C)C)CC(O)C(NC(=
    O)OC3C4C(OCCOC)COC4OC3)Cc5ccccc5; CC(C)C
    N(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)OC
    COC)O)S(=O)(=O)c4ccc5c(c4)OC(=NC)N5; COC
    CO[C@H]1CO[C@@H]2OC[C@H](OC(=O)N[C@@H](C
    c3ccccc3)[C@H](O)CN(CC(C)C)[S](=O)(=O)c4
    ccc5NC(Oc5c4)=NC)[C@H]12; COCCO[CH]1CO[C
    H]2OC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)C
    N(CC(C)C)[S](=O)(=O)c4ccc5NC(Oc5c4)=NC)[
    CH]12    		 (3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
    45237
    ZLS    		 3 C32 H46 N4 O3 InChI=1S/C32H46N4O3/c1-3-
    32(38,39)12-6-4-5-7-27(35
    -30(37)26-19-31(26)13-15-
    36(2)16-14-31)29-33-20-28
    (34-29)23-10-11-24-21-8-9
    -22(17-21)25(24)18-23/h10
    -11,18,20-22,26-27,38-39H
    ,3-9,12-17,19H2,1-2H3,(H,
    33,34)(H,35,37)/t21-,22+,
    26-,27+/m1/s1;
    OYAZOARGEULSKR-IMIIGWPFSA-N    		 CCC(O)(O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(
    C)CC2)c3[nH]cc(n3)c4ccc5[C@@H]6CC[C@@H](
    C6)c5c4; CN1CCC2(CC2C(=O)NC(CCCCCC(O)(O)
    CC)c2nc(c[NH]2)c2ccc3C4CCC(C4)c3c2)CC1;
    CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)[
    C@H]4CC[C@@H]3C4)NC(=O)[C@H]5CC56CCN(CC6
    )C)(O)O; CCC(O)(O)CCCCC[CH](NC(=O)[CH]1C
    C12CCN(C)CC2)c3[nH]cc(n3)c4ccc5[CH]6CC[C
    H](C6)c5c4; CCC(CCCCCC(c1[nH]cc(n1)c2ccc
    3c(c2)C4CCC3C4)NC(=O)C5CC56CCN(CC6)C)(O)
    O    		 (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
    45238
    ZLT    		 3 C10 H12 N2 O3 S InChI=1S/C10H12N2O3S/c13-
    9(8-2-1-5-15-8)11-10(16)1
    2-3-6-14-7-4-12/h1-2,5H,3
    -4,6-7H2,(H,11,13,16);
    JQJIETSPJDDSJO-UHFFFAOYSA-N    		 O=C(NC(=S)N1CCOCC1)c2occc2; c1cc(oc1)C(=
    O)NC(=S)N2CCOCC2    		 ~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide
    45239
    ZLV    		 3 C27 H40 N4 O4 InChI=1S/C27H40N4O4/c1-2-
    27(33,34)15-8-3-5-12-21-2
    5-28-19-22(29-25)20-11-6-
    7-13-24(20)35-18-10-4-9-1
    6-31-17-14-23(31)26(32)30
    -21/h6-7,11,13,19,21,23,3
    3-34H,2-5,8-10,12,14-18H2
    ,1H3,(H,28,29)(H,30,32)/t
    21-,23+/m0/s1;
    UDDWOBRBECZUIE-JTHBVZDNSA-N    		 CCC(O)(O)CCCCC[C@@H]1NC(=O)[C@H]2CCN2CCC
    CCOc3ccccc3c4[nH]c1nc4; CCC(O)(O)CCCCCC1
    NC(=O)C2CCN2CCCCCOc2ccccc2c2cnc1[NH]2; C
    CC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccccc3OCCCC
    CN4CC[C@@H]4C(=O)N1)(O)O; CCC(CCCCCC1c2[
    nH]c(cn2)-c3ccccc3OCCCCCN4CCC4C(=O)N1)(O
    )O; CCC(O)(O)CCCCC[CH]1NC(=O)[CH]2CCN2CC
    CCCOc3ccccc3c4[nH]c1nc4    		 (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one
    45240
    ZLW    		 1 C12 H18 N4 O3 InChI=1S/C12H18N4O3/c13-3
    -4-14-12(18)16-7-5-15(6-8
    -16)11(17)10-2-1-9-19-10/
    h1-2,9H,3-8,13H2,(H,14,18
    );
    NGTIGXKIESWBCE-UHFFFAOYSA-N    		 NCCNC(=O)N1CCN(CC1)C(=O)c2occc2; c1cc(oc
    1)C(=O)N2CCN(CC2)C(=O)NCCN; O=C(N1CCN(CC
    1)C(=O)NCCN)c1ccco1    		 N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
    45241
    ZLX    		 2 C11 H13 N O5 InChI=1S/C11H13NO5/c1-16-
    11(15)8-5-7(13)6-12(8)10(
    14)9-3-2-4-17-9/h2-4,7-8,
    13H,5-6H2,1H3/t7-,8-/m0/s
    1;
    GVYWVRYDCMRUCE-YUMQZZPRSA-N    		 COC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccco2)O;
    COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c2occc2;
    COC(=O)C1CC(CN1C(=O)c2ccco2)O; COC(=O)[
    CH]1C[CH](O)CN1C(=O)c2occc2    		 methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
    45242
    ZLY
    CHEMBL5074481    		 6 C38 H44 N4 O6 InChI=1S/C38H44N4O6/c39-3
    3(43)23-32-36(47)40-24-26
    (20-30-12-7-10-28-9-2-3-1
    3-31(28)30)8-6-11-29(27-1
    6-14-25(15-17-27)21-35(45
    )46)22-34(44)42-38(37(48)
    41-32)18-4-1-5-19-38/h2-3
    ,6-7,9-17,26,29,32H,1,4-5
    ,8,18-24H2,(H2,39,43)(H,4
    0,47)(H,41,48)(H,42,44)(H
    ,45,46)/b11-6+/t26-,29-,3
    2-/m0/s1;
    ZYRZDVCTSBJOQD-GZNVFMSSSA-N    		 NC(=O)C[CH]1NC(=O)C2(CCCCC2)NC(=O)C[CH](
    C=CC[CH](CNC1=O)Cc3cccc4ccccc34)c5ccc(CC
    (O)=O)cc5; O=C(O)Cc1ccc(cc1)C1CC(=O)NC2(
    CCCCC2)C(=O)NC(CC(N)=O)C(=O)NCC(Cc2cccc3
    ccccc32)CC=C1; c1ccc2c(c1)cccc2C[C@@H]3C
    /C=C/[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H]
    (C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)O; c1c
    cc2c(c1)cccc2CC3CC=CC(CC(=O)NC4(CCCCC4)C
    (=O)NC(C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)
    O; NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C
    [C@H](/C=C/C[C@H](CNC1=O)Cc3cccc4ccccc34
    )c5ccc(CC(O)=O)cc5    		 (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid
    45243
    ZM0    		 1 C19 H27 N3 O2 S2 InChI=1S/C19H27N3O2S2/c1-
    13(19(2,3)4)12-20-18(24)2
    2-8-6-21(7-9-22)17(23)16-
    11-15-14(26-16)5-10-25-15
    /h5,10-11,13H,6-9,12H2,1-
    4H3,(H,20,24)/t13-/m1/s1;
    NWCRAPGRDQGTKB-CYBMUJFWSA-N    		 C[C@@H](CNC(=O)N1CCN(CC1)C(=O)c2cc3c(s2)
    ccs3)C(C)(C)C; C[CH](CNC(=O)N1CCN(CC1)C(
    =O)c2sc3ccsc3c2)C(C)(C)C; C[C@@H](CNC(=O
    )N1CCN(CC1)C(=O)c2sc3ccsc3c2)C(C)(C)C; C
    C(CNC(=O)N1CCN(CC1)C(=O)c2cc3c(s2)ccs3)C
    (C)(C)C; CC(C)(C)C(C)CNC(=O)N1CCN(CC1)C(
    =O)c1cc2sccc2s1    		 4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide
    45244
    ZM1    		 2 C8 H16 N O8 P InChI=1S/C8H16NO8P/c1-5(1
    1)9-6(4-10)8(13)7(12)2-3-
    17-18(14,15)16/h4,6-8,12-
    13H,2-3H2,1H3,(H,9,11)(H2
    ,14,15,16)/t6-,7-,8-/m1/s
    1;
    SJEDNRVDWMBCDP-BWZBUEFSSA-N    		 CC(=O)NC(C=O)C(C(CCOP(=O)(O)O)O)O; CC(=O
    )N[C@H](C=O)[C@@H](O)[C@H](O)CCO[P](O)(O
    )=O; O=P(O)(O)OCCC(O)C(O)C(C=O)NC(C)=O;
    CC(=O)N[CH](C=O)[CH](O)[CH](O)CCO[P](O)(
    O)=O; CC(=O)N[C@H](C=O)[C@H]([C@@H](CCOP
    (=O)(O)O)O)O    		 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose
    45245
    ZM2    		 1 C6 H18 O24 P6 InChI=1S/C6H18O24P6/c7-1-
    2(25-31(8,9)10)4(27-33(14
    ,15)16)6(29-36(23,24)30-3
    5(20,21)22)5(28-34(17,18)
    19)3(1)26-32(11,12)13/h1-
    7H,(H,23,24)(H2,8,9,10)(H
    2,11,12,13)(H2,14,15,16)(
    H2,17,18,19)(H2,20,21,22)
    /t1-,2-,3+,4-,5-,6-/m0/s1;
    FFZGWHDHUIRNPY-PTQMNWPWSA-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[P](O)(O)=O)[C
    @@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O; O[
    CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)
    [CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O
    )(O)=O)[CH]1O[P](O)(O)=O; O=P(O)(O)OC1C(
    OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O
    )C1OP(=O)(O)OP(=O)(O)O; C1(C(C(C(C(C1OP(
    =O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O
    P(=O)(O)O)OP(=O)(O)O)O; [C@H]1([C@@H](C(
    [C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)O
    P(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O    		 (1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
    45246
    ZM3
    ZINC000087528482    		 8 C36 H59 N O11 InChI=1S/C36H59NO11/c1-10
    -28-25(19-44-36-34(43-9)3
    2(42)30(40)24(6)46-36)13-
    11-12-14-27(38)21(3)17-22
    (4)33(20(2)15-16-29(39)47
    -28)48-35-31(41)26(37(7)8
    )18-23(5)45-35/h11-16,20-
    26,28,30-36,40-42H,10,17-
    19H2,1-9H3/b13-11+,14-12+
    ,16-15+/t20-,21+,22-,23+,
    24+,25+,26-,28+,30+,31+,3
    2+,33+,34+,35-,36+/m0/s1;
    FPIDCOOKEJFXFI-WKUFBULYSA-N    		 CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@
    @H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[
    C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C
    @H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)
    OC; CCC1C(C=CC=CC(=O)C(CC(C(C(C=CC(=O)O1
    )C)OC2C(C(CC(O2)C)N(C)C)O)C)C)COC3C(C(C(
    C(O3)C)O)O)OC; O=C3C=CC=CC(COC1OC(C(O)C(
    O)C1OC)C)C(OC(=O)C=CC(C)C(OC2OC(C)CC(N(C
    )C)C2O)C(C)CC3C)CC; CC[CH]1OC(=O)C=C[CH]
    (C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C
    )[CH](C)C[CH](C)C(=O)C=CC=C[CH]1CO[CH]3O
    [CH](C)[CH](O)[CH](O)[CH]3OC; CC[C@H]1OC
    (=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C
    )C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](
    C)C(=O)/C=C/C=C/[C@@H]1CO[C@@H]3O[C@H](C
    )[C@@H](O)[C@@H](O)[C@H]3OC    		 MYCINAMICIN III
    45247
    ZM4    		 1 C24 H25 N5 O InChI=1S/C24H25N5O/c1-4-2
    1-19(22(25)29-24(27)28-21
    )12-6-15(3)20-13-18(7-5-1
    4(20)2)16-8-10-17(11-9-16
    )23(26)30/h5,7-11,13,15H,
    4H2,1-3H3,(H2,26,30)(H4,2
    5,27,28,29)/t15-/m0/s1;
    YJUMTSDIAPDMCM-HNNXBMFYSA-N    		 CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(ccc2C)c3c
    cc(cc3)C(N)=O; CCc1c(c(nc(n1)N)N)C#CC(C)
    c2cc(ccc2C)c3ccc(cc3)C(=O)N; CCc1nc(N)nc
    (N)c1C#C[C@H](C)c2cc(ccc2C)c3ccc(cc3)C(N
    )=O; CCc1nc(N)nc(N)c1C#CC(C)c1cc(ccc1C)c
    1ccc(cc1)C(N)=O; CCc1c(c(nc(n1)N)N)C#C[C
    @H](C)c2cc(ccc2C)c3ccc(cc3)C(=O)N    		 3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide
    45248
    ZM5    		 0 C32 H62 O5 InChI=1S/C32H62O5/c1-3-5-
    7-9-11-13-15-16-17-19-20-
    22-24-26-31(34)36-29-30(2
    8-33)37-32(35)27-25-23-21
    -18-14-12-10-8-6-4-2/h30,
    33H,3-29H2,1-2H3/t30-/m1/
    s1;
    ZMBQEERVAJRJTB-SSEXGKCCSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CC
    CCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OCC(CO)O
    C(=O)CCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)O
    C[CH](CO)OC(=O)CCCCCCCCCCCC    		 (2R)-2-(tridecanoyloxy)propyl hexadecanoate;
    (3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate
    45249
    ZM6    		 1 C16 H19 Cl2 N3 O2 InChI=1S/C16H19Cl2N3O2/c1
    7-13-4-3-12(9-14(13)18)15
    (22)20-5-7-21(8-6-20)16(2
    3)19-10-11-1-2-11/h3-4,9,
    11H,1-2,5-8,10H2,(H,19,23
    );
    DPRJGBYDJHMEPY-UHFFFAOYSA-N    		 c1cc(c(cc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl
    )Cl; Clc1ccc(cc1Cl)C(=O)N2CCN(CC2)C(=O)N
    CC3CC3; O=C(NCC1CC1)N1CCN(CC1)C(=O)c1ccc
    (Cl)c(Cl)c1    		 N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)piperazine-1-carboxamide
    45250
    ZM7
    CHEMBL1788267
    ZINC000000056647    		 1 C17 H20 N2 S InChI=1S/C17H20N2S/c1-13(
    18(2)3)12-19-14-8-4-6-10-
    16(14)20-17-11-7-5-9-15(1
    7)19/h4-11,13H,12H2,1-3H3
    /t13-/m1/s1;
    PWWVAXIEGOYWEE-CYBMUJFWSA-N    		 C[C@H](CN1c2ccccc2Sc3ccccc13)N(C)C; CC(C
    N1c2ccccc2Sc3c1cccc3)N(C)C; C[C@H](CN1c2
    ccccc2Sc3c1cccc3)N(C)C; C[CH](CN1c2ccccc
    2Sc3ccccc13)N(C)C; CN(C)C(C)CN1c2ccccc2S
    c2ccccc12    		 (2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine
    45251
    ZM8    		 4 C10 H18 N2 O InChI=1S/C10H18N2O/c1-8(1
    3)12-6-4-10(5-7-12)11-9-2
    -3-9/h9-11H,2-7H2,1H3;
    KWLJTPCIXGQHSB-UHFFFAOYSA-N    		 CC(=O)N1CCC(CC1)NC2CC2 1-[4-(cyclopropylamino)piperidin-1-yl]ethanone
    45252
    ZMA
    CHEMBL113142
    DB08770
    ZINC000000005258    		 31 C16 H15 N7 O2 InChI=1S/C16H15N7O2/c17-1
    4-20-15(18-8-7-10-3-5-11(
    24)6-4-10)21-16-19-13(22-
    23(14)16)12-2-1-9-25-12/h
    1-6,9,24H,7-8H2,(H3,17,18
    ,19,20,21,22);
    PWTBZOIUWZOPFT-UHFFFAOYSA-N    		 c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)
    O; n1n3c(nc(nc3nc1c2occc2)NCCc4ccc(O)cc4
    )N; Nc1nc(NCCc2ccc(O)cc2)nc3nc(nn13)c4oc
    cc4    		 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol
    45253
    ZMB    		 1 C13 H23 N O8 InChI=1S/C13H23NO8/c1-6(1
    2(19)20-3)5-21-13-9(14-7(
    2)16)11(18)10(17)8(4-15)2
    2-13/h6,8-11,13,15,17-18H
    ,4-5H2,1-3H3,(H,14,16)/t6
    -,8+,9+,10+,11+,13+/m0/s1;
    LMSXTPOWCBFQKY-BCPRKZQJSA-N    		 COC(=O)[CH](C)CO[CH]1O[CH](CO)[CH](O)[CH
    ](O)[CH]1NC(C)=O; COC(=O)[C@@H](C)CO[C@@
    H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C
    )=O; O=C(OC)C(C)COC1OC(CO)C(O)C(O)C1NC(C
    )=O; CC(COC1C(C(C(C(O1)CO)O)O)NC(=O)C)C(
    =O)OC; C[C@@H](CO[C@H]1[C@@H]([C@H]([C@@
    H]([C@H](O1)CO)O)O)NC(=O)C)C(=O)OC    		 methyl (2S)-3-[(2-acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-2-methylpropanoate
    45254
    ZMC    		 3 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c1-2-
    13-14(18-10-17-13)7-12(1)
    9-16-8-11-3-5-15-6-4-11/h
    1-7,16H,8-10H2;
    UGGCQMVKRPFZEA-UHFFFAOYSA-N    		 c1cc2c(cc1CNCc3ccncc3)OCO2; C1Oc2ccc(CNC
    c3ccncc3)cc2O1    		 ~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine
    45255
    ZMD    		 8 C7 H7 B O3 InChI=1S/C7H7BO3/c9-7-5-3
    -1-2-4-6(5)8(10)11-7/h1-4
    ,7,9-10H/t7-/m0/s1;
    GKXMUTRKNBAUGN-ZETCQYMHSA-N    		 OB1O[CH](O)c2ccccc12; OB1O[C@H](O)c2cccc
    c12; B1(c2ccccc2C(O1)O)O; B1(c2ccccc2[C@
    H](O1)O)O; OB1OC(O)c2ccccc12    		 (3S)-2,1-benzoxaborole-1,3(3H)-diol
    45256
    ZME
    ZINC000238509705    		 1 C10 H9 N5 InChI=1S/C10H9N5/c1-7-2-3
    -15(4-7)10-8-9(12-5-11-8)
    13-6-14-10/h2-6H,1H3,(H,1
    1,12,13,14);
    BCVQNVIMHTYJMD-UHFFFAOYSA-N    		 Cc1ccn(c1)c2ncnc3[nH]cnc23; Cc1ccn(c1)c2
    c3c([nH]cn3)ncn2; Cc1ccn(c1)c2c3c(ncn2)n
    cn3    		 6-(3-methyl-1H-pyrrol-1-yl)-9H-purine
    45257
    ZMG
    CHEMBL392452
    DB08771
    ZINC000016052518    		 4 C12 H13 F N2 O S InChI=1S/C12H13FN2OS/c1-7
    (2)10-11(16)15-12(17-10)1
    4-9-6-4-3-5-8(9)13/h3-7,1
    0H,1-2H3,(H,14,15,16)/t10
    -/m1/s1;
    OJJBBNIYQKFZDK-SNVBAGLBSA-N    		 CC(C)[CH]1SC(=NC1=O)Nc2ccccc2F; CC(C)C1C
    (=O)N=C(S1)Nc2ccccc2F; CC(C)[C@H]1SC(=NC
    1=O)Nc2ccccc2F; Fc1ccccc1NC2=NC(=O)C(S2)
    C(C)C; CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2
    F    		 (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one;
    (R)-2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-one
    45258
    ZMH    		 9 C18 H18 Br F2 N5 O2 InChI=1S/C18H18BrF2N5O2/c
    1-24-7-10(20)8-26-16(17(2
    4)27)12-9-25(5-4-15(12)23
    -26)18(28)22-11-2-3-14(21
    )13(19)6-11/h2-3,6,10H,4-
    5,7-9H2,1H3,(H,22,28)/t10
    -/m1/s1;
    HKVGNSIAARSCKF-SNVBAGLBSA-N    		 CN1CC(Cn2c(c3c(n2)CCN(C3)C(=O)Nc4ccc(c(c
    4)Br)F)C1=O)F; CN1C[C@H](Cn2c(c3c(n2)CCN
    (C3)C(=O)Nc4ccc(c(c4)Br)F)C1=O)F; Fc1ccc
    (cc1Br)NC(=O)N1Cc2c3C(=O)N(C)CC(F)Cn3nc2
    CC1; CN1C[CH](F)Cn2nc3CCN(Cc3c2C1=O)C(=O
    )Nc4ccc(F)c(Br)c4; CN1C[C@@H](F)Cn2nc3CC
    N(Cc3c2C1=O)C(=O)Nc4ccc(F)c(Br)c4    		 (6S,8R)-N-(3-bromo-4-fluorophenyl)-8-fluoro-10-methyl-11-oxo-1,3,4,7,8,9,10,11-octahydro-2H-pyrido[4',3':3,4]pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
    45259
    ZMI    		 3 C11 H10 F N3 O2 InChI=1S/C11H10FN3O2/c1-7
    -6-10(15-17-7)11(16)14-13
    -9-5-3-2-4-8(9)12/h2-6,13
    H,1H3,(H,14,16);
    VNJQNKZHKFEHID-UHFFFAOYSA-N    		 Cc1cc(no1)C(=O)NNc2ccccc2F; Cc1onc(c1)C(
    =O)NNc2ccccc2F    		 ~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
    45260
    ZMJ
    CHEMBL4227788    		 3 C18 H18 N2 O3 S InChI=1S/C18H18N2O3S/c1-3
    -24(22,23)19-14-8-6-7-13(
    11-14)17-12-20(2)18(21)16
    -10-5-4-9-15(16)17/h4-12,
    19H,3H2,1-2H3;
    QIEVBHRUPLMWFP-UHFFFAOYSA-N    		 CCS(=O)(=O)Nc1cccc(c1)C2=CN(C(=O)c3c2ccc
    c3)C; CCS(=O)(=O)Nc1cccc(c1)C1=CN(C)C(=O
    )c2ccccc12; CC[S](=O)(=O)Nc1cccc(c1)C2=C
    N(C)C(=O)c3ccccc23    		 N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
    45261
    ZMK
    ZINC000098209668    		 2 C19 H35 N2 O10 P S InChI=1S/C19H35N2O10PS/c1
    -19(2,13-31-32(27,28)29)1
    7(25)18(26)21-10-9-14(22)
    20-11-12-33-16(24)8-6-4-5
    -7-15(23)30-3/h17,25H,4-1
    3H2,1-3H3,(H,20,22)(H,21,
    26)(H2,27,28,29)/t17-/m1/
    s1;
    HCFLUHFHCAMJNF-QGZVFWFLSA-N    		 O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(
    O)O)CCCCCC(=O)OC; CC(C)(COP(=O)(O)O)C(C(
    =O)NCCC(=O)NCCSC(=O)CCCCCC(=O)OC)O; CC(C
    )(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(
    =O)CCCCCC(=O)OC)O; COC(=O)CCCCCC(=O)SCCN
    C(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
    ; COC(=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@
    H](O)C(C)(C)CO[P](O)(O)=O    		 methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate
    45262
    ZMM
    CHEMBL5170344    		 3 C20 H18 N2 O2 InChI=1S/C20H18N2O2/c1-21
    -13-18(16-8-2-3-9-17(16)2
    0(21)24)14-6-4-7-15(12-14
    )22-11-5-10-19(22)23/h2-4
    ,6-9,12-13H,5,10-11H2,1H3;
    IQHRPUHKLPCOKF-UHFFFAOYSA-N    		 CN1C=C(c2ccccc2C1=O)c3cccc(c3)N4CCCC4=O;
    CN1C=C(c2cccc(c2)N3CCCC3=O)c4ccccc4C1=O
    ; O=C1CCCN1c1cccc(c1)C1=CN(C)C(=O)c2cccc
    c12    		 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one
    45263
    ZMN    		 1 C20 H24 Br N3 O4 InChI=1S/C20H24BrN3O4/c1-
    15-4-2-5-16(14-15)27-13-3
    -8-22-20(26)24-11-9-23(10
    -12-24)19(25)17-6-7-18(21
    )28-17/h2,4-7,14H,3,8-13H
    2,1H3,(H,22,26);
    SCRILDURHLVTAB-UHFFFAOYSA-N    		 Cc1cccc(c1)OCCCNC(=O)N2CCN(CC2)C(=O)c3cc
    c(o3)Br; Cc1cccc(OCCCNC(=O)N2CCN(CC2)C(=
    O)c3oc(Br)cc3)c1; O=C(N1CCN(CC1)C(=O)NCC
    COc1cc(C)ccc1)c1ccc(Br)o1    		 4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide
    45264
    ZMO
    ZINC000584905717    		 4 C29 H55 N2 O8 P S InChI=1S/C29H55N2O8PS/c1-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18-19-26(33)41
    -23-22-30-25(32)20-21-31-
    28(35)27(34)29(2,3)24-39-
    40(36,37)38/h11-12,27,34H
    ,4-10,13-24H2,1-3H3,(H,30
    ,32)(H,31,35)(H2,36,37,38
    )/b12-11-/t27-/m1/s1;
    AINKKKUPSQZPIP-FRSJXWKWSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)
    [CH](O)C(C)(C)CO[P](O)(O)=O; OP(=O)(OCC(
    C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C
    =C/CCCCCCCC)O; CCCCCCCC/C=C\CCCCCCCC(=O)
    SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)
    O)O; CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)C
    CNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O; CC
    CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(
    C(C)(C)COP(=O)(O)O)O    		 S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-octadec-9-enethioate
    45265
    ZMP
    ZINC000145431082    		 210 C25 H49 N2 O8 P S InChI=1S/C25H49N2O8PS/c1-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-22(29)37-19-18-26-21
    (28)16-17-27-24(31)23(30)
    25(2,3)20-35-36(32,33)34/
    h23,30H,4-20H2,1-3H3,(H,2
    6,28)(H,27,31)(H2,32,33,3
    4)/t23-/m1/s1;
    HDTINWYIVVMRIN-HSZRJFAPSA-N    		 CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H
    ](O)C(C)(C)CO[P](O)(O)=O; CCCCCCCCCCCCCC
    (=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)
    O)O; OP(=O)(OCC(C(C(NCCC(=O)NCCSC(=O)CCC
    CCCCCCCCCC)=O)O)(C)C)O; CCCCCCCCCCCCCC(=
    O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O
    )(O)=O; CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(
    =O)[C@H](C(C)(C)COP(=O)(O)O)O    		 S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate
    45266
    ZMQ
    ZINC000145431302    		 4 C27 H51 N2 O8 P S InChI=1S/C27H51N2O8PS/c1-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-24(31)39-21-20
    -28-23(30)18-19-29-26(33)
    25(32)27(2,3)22-37-38(34,
    35)36/h9-10,25,32H,4-8,11
    -22H2,1-3H3,(H,28,30)(H,2
    9,33)(H2,34,35,36)/b10-9-
    /t25-/m1/s1;
    IKLUIZJWBLJHAQ-HAAQQRBASA-N    		 CCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)
    [C@@H](O)C(C)(C)CO[P](O)(O)=O; CCCCCCC=C
    CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)
    (C)CO[P](O)(O)=O; CCCCCCC=CCCCCCCCC(=O)S
    CCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O;
    CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)
    [C@H](C(C)(C)COP(=O)(O)O)O; OP(=O)(OCC(C
    )(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=
    C/CCCCCC)O    		 S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-hexadec-9-enethioate
    45267
    ZMR
    CHEMBL222813
    DB00558
    ZINC000003918138    		 58 C12 H20 N4 O7 InChI=1S/C12H20N4O7/c1-4(
    18)15-8-5(16-12(13)14)2-7
    (11(21)22)23-10(8)9(20)6(
    19)3-17/h2,5-6,8-10,17,19
    -20H,3H2,1H3,(H,15,18)(H,
    21,22)(H4,13,14,16)/t5-,6
    +,8+,9+,10+/m0/s1;
    ARAIBEBZBOPLMB-UFGQHTETSA-N    		 CC(=O)N[CH]1[CH](NC(N)=N)C=C(O[CH]1[CH](
    O)[CH](O)CO)C(O)=O; C(=O)(O)C1=CC(C(NC(=
    O)C)C(O1)C(O)C(O)CO)N\C(=N)N; CC(=O)N[C@
    @H]1[C@@H](NC(N)=N)C=C(O[C@H]1[C@H](O)[C
    @H](O)CO)C(O)=O; CC(=O)NC1C(C=C(OC1C(C(C
    O)O)O)C(=O)O)NC(=N)N; [H]/N=C(\N)/N[C@H]
    1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H]
    (CO)O)O)C(=O)O    		 ZANAMIVIR;
    4-GUANIDINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID;
    4-guanidino-Neu5Ac2en;
    MODIFIED SIALIC ACID
    45268
    ZMS
    CHEMBL5204093    		 4 C62 H76 Cl2 F2 N14 O11 S2 InChI=1S/C62H76Cl2F2N14O1
    1S2/c1-37-33-67-59(75-55(
    37)69-43-11-15-47(63)51(3
    1-43)77-92(85,86)61(3,4)5
    )73-41-9-13-45(49(65)29-4
    1)57(83)71-39-17-21-79(22
    -18-39)53(81)35-90-27-25-
    89-26-28-91-36-54(82)80-2
    3-19-40(20-24-80)72-58(84
    )46-14-10-42(30-50(46)66)
    74-60-68-34-38(2)56(76-60
    )70-44-12-16-48(64)52(32-
    44)78-93(87,88)62(6,7)8/h
    9-16,29-34,39-40,77-78H,1
    7-28,35-36H2,1-8H3,(H,71,
    83)(H,72,84)(H2,67,69,73,
    75)(H2,68,70,74,76);
    QKJZSKDMERAPEK-UHFFFAOYSA-N    		 Cc1cnc(Nc2ccc(c(F)c2)C(=O)N[C@@H]3CCN(CC
    3)C(=O)COCCOCCOCC(=O)N4CC[C@@H](CC4)NC(=
    O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(N[S](=O)(
    =O)C(C)(C)C)c7)n6)cc5F)nc1Nc8ccc(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)COCCOCCOCC(=O)N1CCC(
    NC(=O)c2ccc(Nc3nc(Nc4ccc(Cl)c(NS(=O)(=O)
    C(C)(C)C)c4)c(C)cn3)cc2F)CC1; Cc1cnc(Nc2
    ccc(c(F)c2)C(=O)N[CH]3CCN(CC3)C(=O)COCCO
    CCOCC(=O)N4CC[CH](CC4)NC(=O)c5ccc(Nc6ncc
    (C)c(Nc7ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c7
    )n6)cc5F)nc1Nc8ccc(Cl)c(N[S](=O)(=O)C(C)
    (C)C)c8; Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O
    )C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(C
    C4)C(=O)COCCOCCOCC(=O)N5CCC(CC5)NC(=O)c6
    ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(
    =O)C(C)(C)C)Cl)C    		 N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
    45269
    ZMT    		 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
    45270
    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}
    45271
    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
    45272
    ZMX    		 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
    45273
    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
    45274
    ZN
    CHEMBL1236970
    DB14532    		 68325 Zn InChI=1S/Zn/q+2;
    PTFCDOFLOPIGGS-UHFFFAOYSA-N    		 [Zn++]; [Zn+2] ZINC ION
    45275
    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
    45276
    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
    45277
    ZN2    		 0 Zn InChI=1/Zn/q+2;
    PTFCDOFLOPIGGS-UHFFFAOYAK    		 [Zn++]; [Zn+2] ZINC ION ON 3-FOLD CRYSTAL AXIS
    45278
    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
    45279
    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
    45280
    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
    45281
    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
    45282
    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
    45283
    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
    45284
    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
    45285
    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
    45286
    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
    45287
    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
    45288
    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
    45289
    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
    45290
    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
    45291
    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
    45292
    ZNH
    DB03934    		 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
    45293
    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
    45294
    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
    45295
    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
    45296
    ZNM
    CHEMBL4650316    		 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
    45297
    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
    45298
    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
    45299
    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
    45300
    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
    45301
    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
    45302
    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
    45303
    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
    45304
    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
    45305
    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
    45306
    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
    45307
    ZNZ
    ZINC000100016209    		 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
    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
    45308
    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
    45309
    ZO1
    CHEMBL4561632
    ZINC000000164958    		 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
    45310
    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
    45311
    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
    45312
    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
    45313
    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
    45314
    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
    45315
    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
    45316
    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
    45317
    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
    45318
    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
    45319
    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
    45320
    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
    45321
    ZOF
    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
    45322
    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
    45323
    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
    45324
    ZOI    		 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
    45325
    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
    45326
    ZOL
    CHEMBL924
    DB00399
    ZINC000003803652    		 42 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
    45327
    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
    45328
    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
    45329
    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
    45330
    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
    45331
    ZOQ    		 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
    45332
    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
    45333
    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
    45334
    ZOV
    CHEMBL4441118
    ZINC000253476140    		 4 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
    45335
    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)]
    45336
    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
    45337
    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
    45338
    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
    45339
    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
    45340
    ZP2    		 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)
    45341
    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-]
    45342
    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
    45343
    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
    45344
    ZP7
    ZINC000032840891    		 3 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
    45345
    ZP8    		 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
    45346
    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
    45347
    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
    45348
    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
    45349
    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
    45350
    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
    45351
    ZPF    		 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
    45352
    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
    45353
    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
    45354
    ZPI    		 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
    45355
    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
    45356
    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
    45357
    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
    45358
    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)
    45359
    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
    45360
    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
    45361
    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
    45362
    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
    45363
    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
    45364
    ZPU    		 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
    45365
    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
    45366
    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
    45367
    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
    45368
    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
    45369
    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
    45370
    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
    45371
    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
    45372
    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
    45373
    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
    45374
    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
    45375
    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
    45376
    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
    45377
    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
    45378
    ZQB    		 2 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
    45379
    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
    45380
    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
    45381
    ZQF    		 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
    45382
    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
    45383
    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
    45384
    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
    45385
    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
    45386
    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
    45387
    ZQN    		 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
    45388
    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
    45389
    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
    45390
    ZQT    		 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
    45391
    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
    45392
    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
    45393
    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
    45394
    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
    45395
    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
    45396
    ZR    		 0 Zr InChI=1S/Zr/q+4;
    GBNDTYKAOXLLID-UHFFFAOYSA-N    		 [Zr+4] ZIRCONIUM ION
    45397
    ZR0    		 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
    45398
    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
    45399
    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
    45400
    ZR3    		 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
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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