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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
    45001
    ZCL
    CHEMBL4866247
    ZINC000001652104    		 0 C9 H9 Cl2 N O2 InChI=1S/C9H9Cl2NO2/c10-6
    -2-1-5(3-7(6)11)4-8(12)9(
    13)14/h1-3,8H,4,12H2,(H,1
    3,14)/t8-/m0/s1;
    NRCSJHVDTAAISV-QMMMGPOBSA-N    		 c1cc(c(cc1C[C@@H](C(=O)O)N)Cl)Cl; c1cc(c
    (cc1CC(C(=O)O)N)Cl)Cl; Clc1ccc(cc1Cl)CC(
    C(=O)O)N; N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(O)
    =O; N[CH](Cc1ccc(Cl)c(Cl)c1)C(O)=O    		 3,4-dichloro-L-phenylalanine
    45002
    ZCM    		 0 Cm InChI=1S/Cm/q+3;
    NIWWFAAXEMMFMS-UHFFFAOYSA-N    		 [Cm+3] CURIUM ION
    45003
    ZCQ
    CHEMBL13888
    ZINC000001576887    		 3 C6 H5 N O3 InChI=1S/C6H5NO3/c8-6-3-1
    -2-5(4-6)7(9)10/h1-4,8H;
    RTZZCYNQPHTPPL-UHFFFAOYSA-N    		 O=[N+]([O-])c1cccc(O)c1; c1cc(cc(c1)O)[N
    +](=O)[O-]; Oc1cccc(c1)[N+]([O-])=O    		 3-nitrophenol
    45004
    ZCT
    ZINC000058649733    		 9 C32 H26 O14 InChI=1S/C32H26O14/c1-9-2
    1-15(3-11(45-9)5-19(35)36
    )29(41)23-17(33)7-13(27(3
    9)25(23)31(21)43)14-8-18(
    34)24-26(28(14)40)32(44)2
    2-10(2)46-12(6-20(37)38)4
    -16(22)30(24)42/h7-12,33-
    34,39-40H,3-6H2,1-2H3,(H,
    35,36)(H,37,38)/t9-,10-,1
    1+,12+/m1/s1;
    VTIKDEXOEJDMJP-WYUUTHIRSA-N    		 C[C@@H]1C2=C(C[C@H](O1)CC(=O)O)C(=O)c3c(
    cc(c(c3C2=O)O)c4cc(c5c(c4O)C(=O)C6=C(C5=
    O)C[C@H](O[C@@H]6C)CC(=O)O)O)O; C[CH]1O[
    CH](CC(O)=O)CC2=C1C(=O)c3c(O)c(cc(O)c3C2
    =O)c4cc(O)c5C(=O)C6=C([CH](C)O[CH](CC(O)
    =O)C6)C(=O)c5c4O; O=C(O)CC6OC(C5=C(C(=O)
    c4c(O)cc(c2cc(O)c1C(=O)C3=C(C(=O)c1c2O)C
    (OC(C3)CC(=O)O)C)c(O)c4C5=O)C6)C; C[C@H]
    1O[C@H](CC(O)=O)CC2=C1C(=O)c3c(O)c(cc(O)
    c3C2=O)c4cc(O)c5C(=O)C6=C([C@@H](C)O[C@H
    ](CC(O)=O)C6)C(=O)c5c4O; CC1C2=C(CC(O1)C
    C(=O)O)C(=O)c3c(cc(c(c3C2=O)O)c4cc(c5c(c
    4O)C(=O)C6=C(C5=O)CC(OC6C)CC(=O)O)O)O    		 2,2'-[(1R,1'R,3S,3'S)-6,6',9,9'-tetrahydroxy-1,1'-dimethyl-5,5',10,10'-tetraoxo-3,3',4,4',5,5',10,10'-octahydro-1H,1'H-8,8'-bibenzo[g]isochromene-3,3'-diyl]diacetic acid
    45005
    ZCW
    CHEMBL226545
    ZINC000000003252    		 13 C10 H11 N O InChI=1S/C10H11NO/c12-6-5
    -8-7-11-10-4-2-1-3-9(8)10
    /h1-4,7,11-12H,5-6H2;
    MBBOMCVGYCRMEA-UHFFFAOYSA-N    		 OCCc1c[nH]c2ccccc12; OCCc2c1ccccc1nc2; c
    1ccc2c(c1)c(c[nH]2)CCO    		 2-(1H-indol-3-yl)ethanol
    45006
    ZCY
    ZINC000058649738    		 0 C7 H12 N3 O6 P InChI=1S/C7H12N3O6P/c8-6-
    1-2-10(7(12)9-6)3-5(11)4-
    16-17(13,14)15/h1-2,5,11H
    ,3-4H2,(H2,8,9,12)(H2,13,
    14,15)/t5-/m0/s1;
    IQHBYFSDRWZBDG-YFKPBYRVSA-N    		 O=C1N=C(C=CN1CC(O)COP(=O)(O)O)N; NC1=NC(
    =O)N(C[CH](O)CO[P](O)(O)=O)C=C1; C1=CN(C
    (=O)N=C1N)C[C@@H](COP(=O)(O)O)O; C1=CN(C
    (=O)N=C1N)CC(COP(=O)(O)O)O; NC1=NC(=O)N(
    C[C@H](O)CO[P](O)(O)=O)C=C1    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-CYTOSINE
    45007
    ZCZ    		 1 C11 H21 N O7 InChI=1S/C11H21NO7/c1-5-7
    (12-10(16)6(14)3-4-13)8(1
    5)9(18-2)11(17)19-5/h5-9,
    11,13-15,17H,3-4H2,1-2H3,
    (H,12,16)/t5-,6-,7-,8+,9+
    ,11+/m1/s1;
    BYURRTCQJAPYFR-CWJAVHARSA-N    		 CO[CH]1[CH](O)O[CH](C)[CH](NC(=O)[CH](O)
    CCO)[CH]1O; CC1C(C(C(C(O1)O)OC)O)NC(=O)C
    (CCO)O; CO[C@@H]1[C@@H](O)O[C@H](C)[C@@H
    ](NC(=O)[C@H](O)CCO)[C@@H]1O; O=C(NC1C(O
    C(O)C(OC)C1O)C)C(O)CCO; C[C@@H]1[C@H]([C
    @@H]([C@@H]([C@H](O1)O)OC)O)NC(=O)[C@@H]
    (CCO)O    		 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-2-O-methyl-alpha-D-mannopyranose
    45008
    ZD0    		 1 C11 H21 N O7 InChI=1S/C11H21NO7/c1-5-7
    (12-10(17)6(14)3-4-13)8(1
    5)9(16)11(18-2)19-5/h5-9,
    11,13-16H,3-4H2,1-2H3,(H,
    12,17)/t5-,6-,7-,8+,9+,11
    +/m1/s1;
    ASFHRCHAPWVLRF-CWJAVHARSA-N    		 CC1C(C(C(C(O1)OC)O)O)NC(=O)C(CCO)O; CO[C
    @H]1O[C@H](C)[C@@H](NC(=O)[C@H](O)CCO)[C
    @H](O)[C@@H]1O; O=C(NC1C(OC(OC)C(O)C1O)C
    )C(O)CCO; C[C@@H]1[C@H]([C@@H]([C@@H]([C
    @H](O1)OC)O)O)NC(=O)[C@@H](CCO)O; CO[CH]
    1O[CH](C)[CH](NC(=O)[CH](O)CCO)[CH](O)[C
    H]1O    		 methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside
    45009
    ZD1    		 2 C13 H23 N O9 InChI=1S/C13H23NO9/c14-5-
    1-4(2-15)12(10(20)7(5)17)
    23-13-11(21)9(19)8(18)6(3
    -16)22-13/h1,5-13,15-21H,
    2-3,14H2/t5-,6+,7-,8+,9-,
    10+,11+,12+,13+/m0/s1;
    UINFOZNGFLXUEC-QHWKHWDXSA-N    		 N[C@H]1C=C(CO)[C@@H](O[C@H]2O[C@H](CO)[C
    @@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O;
    C1=C([C@H]([C@@H]([C@H]([C@H]1N)O)O)O[C@
    @H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)
    O)CO; N[CH]1C=C(CO)[CH](O[CH]2O[CH](CO)[
    CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; OCC1=
    CC(N)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O; C1=
    C(C(C(C(C1N)O)O)OC2C(C(C(C(O2)CO)O)O)O)C
    O    		 (1R,4S,5S,6R)-4-amino-5,6-dihydroxy-2-(hydroxymethyl)cyclohex-2-en-1-yl alpha-D-glucopyranoside
    45010
    ZD2
    ZINC000015203321    		 4 C9 H11 N5 O3 InChI=1S/C9H11N5O3/c10-7-
    6-8(12-3-11-7)14(4-13-6)2
    -1-5(15)9(16)17/h3-5,15H,
    1-2H2,(H,16,17)(H2,10,11,
    12)/t5-/m0/s1;
    NWPWVFAEENVVJM-YFKPBYRVSA-N    		 Nc1ncnc2n(CC[CH](O)C(O)=O)cnc12; Nc1ncnc
    2n(CC[C@H](O)C(O)=O)cnc12; c1nc(c2c(n1)n
    (cn2)CCC(C(=O)O)O)N; c1nc(c2c(n1)n(cn2)C
    C[C@@H](C(=O)O)O)N; O=C(O)C(CCn2c1ncnc(c
    1nc2)N)O    		 (2S)-4-(6-amino-9H-purin-9-yl)-2-hydroxybutanoic acid
    45011
    ZD3    		 1 C16 H18 F3 N3 O InChI=1S/C16H18F3N3O/c1-1
    0-2-3-13-12(6-10)14(7-15(
    21-13)16(17,18)19)22-5-4-
    20-11(8-22)9-23/h2-3,6-7,
    11,20,23H,4-5,8-9H2,1H3/t
    11-/m0/s1;
    BWADWGMLGZVJNC-NSHDSACASA-N    		 Cc1ccc2nc(cc(N3CCN[C@H](CO)C3)c2c1)C(F)(
    F)F; Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN[
    C@@H](C3)CO; FC(F)(F)c1cc(c2cc(C)ccc2n1)
    N1CC(NCC1)CO; Cc1ccc2c(c1)c(cc(n2)C(F)(F
    )F)N3CCNC(C3)CO; Cc1ccc2nc(cc(N3CCN[CH](
    CO)C3)c2c1)C(F)(F)F    		 {(2S)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol
    45012
    ZD4    		 1 C10 H14 Cl N5 O10 P2 InChI=1S/C10H14ClN5O10P2/
    c11-10-14-7(12)4-8(15-10)
    16(2-13-4)9-6(18)5(17)3(2
    5-9)1-24-28(22,23)26-27(1
    9,20)21/h2-3,5-6,9,17-18H
    ,1H2,(H,22,23)(H2,12,14,1
    5)(H2,19,20,21)/t3-,5-,6-
    ,9-/m1/s1;
    POWNGKCXGCOKLX-UUOKFMHZSA-N    		 c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H]
    (O3)COP(=O)(O)OP(=O)(O)O)O)O)Cl)N; Nc1nc
    (Cl)nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O
    )O[P](O)(O)=O)[C@@H](O)[C@H]3O; O=P(O)(O
    )OP(=O)(O)OCC1OC(n2cnc3c(N)nc(Cl)nc32)C(
    O)C1O; c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)
    (O)OP(=O)(O)O)O)O)Cl)N; Nc1nc(Cl)nc2n(cn
    c12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)
    [CH](O)[CH]3O    		 2-chloroadenosine 5'-(trihydrogen diphosphate)
    45013
    ZD5    		 1 C16 H18 F3 N3 O InChI=1S/C16H18F3N3O/c1-1
    0-2-3-13-12(6-10)14(7-15(
    21-13)16(17,18)19)22-5-4-
    20-11(8-22)9-23/h2-3,6-7,
    11,20,23H,4-5,8-9H2,1H3/t
    11-/m1/s1;
    BWADWGMLGZVJNC-LLVKDONJSA-N    		 Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3CCN[C@H](
    C3)CO; FC(F)(F)c1cc(c2cc(C)ccc2n1)N1CC(N
    CC1)CO; Cc1ccc2c(c1)c(cc(n2)C(F)(F)F)N3C
    CNC(C3)CO; Cc1ccc2nc(cc(N3CCN[CH](CO)C3)
    c2c1)C(F)(F)F; Cc1ccc2nc(cc(N3CCN[C@@H](
    CO)C3)c2c1)C(F)(F)F    		 {(2R)-4-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]piperazin-2-yl}methanol
    45014
    ZD6
    CHEMBL24828
    DB05294
    ZINC000053683345    		 1 C22 H24 Br F N4 O2 InChI=1S/C22H24BrFN4O2/c1
    -28-7-5-14(6-8-28)12-30-2
    1-11-19-16(10-20(21)29-2)
    22(26-13-25-19)27-18-4-3-
    15(23)9-17(18)24/h3-4,9-1
    1,13-14H,5-8,12H2,1-2H3,(
    H,25,26,27);
    UHTHHESEBZOYNR-UHFFFAOYSA-N    		 COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC4CCN(
    C)CC4; CN1CCC(CC1)COc2cc3c(cc2OC)c(ncn3)
    Nc4ccc(cc4F)Br    		 Vandetanib;
    ZD6474
    45015
    ZD7
    CHEMBL159096
    ZINC000003784334    		 1 C26 H26 N6 O InChI=1S/C26H26N6O/c1-3-1
    9-15-24-22(23(4-2)27-19)1
    3-14-25(33)32(24)16-17-9-
    11-18(12-10-17)20-7-5-6-8
    -21(20)26-28-30-31-29-26/
    h5-12,15H,3-4,13-14,16H2,
    1-2H3,(H,28,29,30,31);
    BFVNEYDCFJNLGN-UHFFFAOYSA-N    		 CCc1cc2N(Cc3ccc(cc3)c4ccccc4c5[nH]nnn5)C
    (=O)CCc2c(CC)n1; O=C2N(c1cc(nc(c1CC2)CC)
    CC)Cc5ccc(c3ccccc3c4nnnn4)cc5; CCc1cc2c(
    c(n1)CC)CCC(=O)N2Cc3ccc(cc3)c4ccccc4c5[n
    H]nnn5    		 5,7-diethyl-1-{[2'-(1H-tetrazol-5-yl)biphenyl-4-yl]methyl}-3,4-dihydro-1,6-naphthyridin-2(1H)-one
    45016
    ZD9
    ZINC000095920937    		 2 C14 H15 N3 O InChI=1S/C14H15N3O/c1-4-5
    -15-8-11-7-12-13(6-9(11)2
    )16-10(3)17-14(12)18/h6-7
    ,15H,8H2,1-3H3,(H,16,17,1
    8);
    VHJQNTIPWBTKDM-UHFFFAOYSA-N    		 CC#CNCc1cc2c(cc1C)N=C(NC2=O)C; CC#CNCc1c
    c2C(=O)NC(=Nc2cc1C)C; O=C1c2cc(c(cc2N=C(
    N1)C)C)CNC#CC    		 2,7-dimethyl-6-[(prop-1-yn-1-ylamino)methyl]quinazolin-4(3H)-one
    45017
    ZDA
    CHEMBL1162355
    ZINC000013829365    		 8 C10 H16 N5 O11 P3 InChI=1S/C10H16N5O11P3/c1
    -5-6(24-28(19,20)26-29(21
    ,22)25-27(16,17)18)2-7(23
    -5)15-4-14-8-9(11)12-3-13
    -10(8)15/h3-7H,2H2,1H3,(H
    ,19,20)(H,21,22)(H2,11,12
    ,13)(H2,16,17,18)/t5-,6+,
    7-/m1/s1;
    ZJGUOEYCABTFNH-DSYKOEDSSA-N    		 C[C@H]1O[C@H](C[C@@H]1O[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)n2cnc3c(N)ncnc23; O=P(O
    )(O)OP(=O)(O)OP(=O)(O)OC3C(OC(n2cnc1c(nc
    nc12)N)C3)C; C[CH]1O[CH](C[CH]1O[P](O)(=
    O)O[P](O)(=O)O[P](O)(O)=O)n2cnc3c(N)ncnc
    23; C[C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncn
    c3N)OP(=O)(O)OP(=O)(O)OP(=O)(O)O; CC1C(C
    C(O1)n2cnc3c2ncnc3N)OP(=O)(O)OP(=O)(O)OP
    (=O)(O)O    		 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate);
    2',5'-DIDEOXYADENOSINE 3'-TRIPHOSPHATE
    45018
    ZDC
    ZINC000166514822    		 113 C8 H14 O6 InChI=1S/C8H14O6/c1-3-6(1
    1)8(13)7(12)4(14-3)2-5(9)
    10/h3-4,6-8,11-13H,2H2,1H
    3,(H,9,10)/t3-,4-,6+,7+,8
    +/m0/s1;
    YTZUDUWVQZSKNN-OASCRQMUSA-N    		 O=C(O)CC1OC(C(O)C(O)C1O)C; CC1C(C(C(C(O1
    )CC(=O)O)O)O)O; C[C@@H]1O[C@@H](CC(O)=O)
    [C@@H](O)[C@H](O)[C@@H]1O; C[CH]1O[CH](C
    C(O)=O)[CH](O)[CH](O)[CH]1O; C[C@H]1[C@H
    ]([C@H]([C@@H]([C@@H](O1)CC(=O)O)O)O)O    		 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid
    45019
    ZDF
    ZINC000011817504    		 1 C22 H29 N5 O InChI=1S/C22H29N5O/c1-3-2
    6(15-16-27-14-6-13-23-27)
    17-20-24-21(25-28-20)22(1
    1-4-5-12-22)19-9-7-18(2)8
    -10-19/h6-10,13-14H,3-5,1
    1-12,15-17H2,1-2H3;
    CIGIIVQVOWUOHH-UHFFFAOYSA-N    		 CCN(CCn1cccn1)Cc2onc(n2)C3(CCCC3)c4ccc(C
    )cc4; Cc1ccc(cc1)C1(CCCC1)c1nc(CN(CC)CCn
    2cccn2)on1; CCN(CCn1cccn1)Cc2nc(no2)C3(C
    CCC3)c4ccc(cc4)C    		 N-ethyl-N-({3-[1-(4-methylphenyl)cyclopentyl]-1,2,4-oxadiazol-5-yl}methyl)-2-(1H-pyrazol-1-yl)ethan-1-amine
    45020
    ZDG
    CHEMBL5267903
    ZINC000114342050    		 1 C26 H25 Cl2 N5 O4 InChI=1S/C26H25Cl2N5O4/c1
    -18-24(26(34)30-31-14-4-2
    -5-15-31)29-32(23-13-12-2
    1(27)17-22(23)28)25(18)20
    -10-8-19(9-11-20)7-3-6-16
    -37-33(35)36/h8-13,17H,2,
    4-6,14-16H2,1H3,(H,30,34);
    KXXKUWQMQUYUSE-UHFFFAOYSA-N    		 Cc1c(nn(c2ccc(Cl)cc2Cl)c1c3ccc(cc3)C#CCC
    O[N+]([O-])=O)C(=O)NN4CCCCC4; Cc1c(n(nc1
    C(=O)NN2CCCCC2)c3ccc(cc3Cl)Cl)c4ccc(cc4)
    C#CCCO[N+](=O)[O-]    		 4-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]but-3-ynyl nitrate
    45021
    ZDJ
    CHEMBL3808433
    ZINC000001713866    		 0 C10 H13 N O3 InChI=1S/C10H13NO3/c1-6-4
    -7(2-3-9(6)12)5-8(11)10(1
    3)14/h2-4,8,12H,5,11H2,1H
    3,(H,13,14)/t8-/m0/s1;
    MQHLULPKDLJASZ-QMMMGPOBSA-N    		 Cc1cc(CC(N)C(=O)O)ccc1O; Cc1cc(ccc1O)CC(
    C(=O)O)N; Cc1cc(ccc1O)C[C@@H](C(=O)O)N;
    Cc1cc(C[CH](N)C(O)=O)ccc1O; Cc1cc(C[C@H]
    (N)C(O)=O)ccc1O    		 3-methyl-L-tyrosine
    45022
    ZDK    		 1 C23 H27 N3 O2 InChI=1S/C23H27N3O2/c1-27
    -17-18-12-14-26(15-13-18)
    16-21-24-23(25-28-21)22(1
    9-8-4-2-5-9-19)20-10-6-3-
    7-11-20/h2-11,18,22H,12-1
    7H2,1H3;
    XYPQCOBQQQTCFN-UHFFFAOYSA-N    		 COCC1CCN(CC1)Cc1nc(no1)C(c1ccccc1)c1cccc
    c1; COCC1CCN(CC1)Cc2nc(no2)C(c3ccccc3)c4
    ccccc4; COCC1CCN(CC1)Cc2onc(n2)C(c3ccccc
    3)c4ccccc4    		 1-{[3-(diphenylmethyl)-1,2,4-oxadiazol-5-yl]methyl}-4-(methoxymethyl)piperidine
    45023
    ZDL    		 1 C5 H12 N2 InChI=1S/C5H12N2/c1-6-3-4
    -7(2)5-6/h3-5H2,1-2H3;
    SMWUDAKKCDQTPV-UHFFFAOYSA-N    		 CN1CCN(C1)C; CN1CCN(C)C1 1,3-dimethylimidazolidine
    45024
    ZDM
    CHEMBL1738948
    ZINC000066157001    		 9 C21 H40 O11 InChI=1S/C21H40O11/c1-2-3
    -4-5-6-7-8-9-29-20-18(28)
    16(26)19(13(11-23)31-20)3
    2-21-17(27)15(25)14(24)12
    (10-22)30-21/h12-28H,2-11
    H2,1H3/t12-,13-,14-,15+,1
    6-,17-,18-,19-,20-,21-/m1
    /s1;
    KCCBGPCYGBPHBR-ZESVGKPKSA-N    		 CCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)
    CO)O)O)O)O)O; CCCCCCCCCO[CH]1O[CH](CO)[C
    H](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[
    CH](O)[CH]1O; CCCCCCCCCO[C@@H]1O[C@H](CO
    )[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](
    O)[C@H]2O)[C@H](O)[C@H]1O; O(CCCCCCCCC)C
    2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO; C
    CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H]
    (O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H]
    (O2)CO)O)O)O)O)O    		 nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside;
    nonyl-beta-D-maltoside
    45025
    ZDO    		 7 C7 H15 N O11 S2 InChI=1S/C7H15NO11S2/c1-1
    7-7-4(8-20(11,12)13)6(10)
    5(9)3(19-7)2-18-21(14,15)
    16/h3-10H,2H2,1H3,(H,11,1
    2,13)(H,14,15,16)/t3-,4-,
    5-,6-,7+/m1/s1;
    UWLKUQLVRABNAG-GKHCUFPYSA-N    		 COC1C(C(C(C(O1)COS(=O)(=O)O)O)O)NS(=O)(=
    O)O; O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C
    (O)C1O; CO[CH]1O[CH](CO[S](O)(=O)=O)[CH]
    (O)[CH](O)[CH]1N[S](O)(=O)=O; CO[C@H]1O[
    C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@
    H]1N[S](O)(=O)=O; CO[C@@H]1[C@@H]([C@H](
    [C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(
    =O)O    		 methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
    45026
    ZDP    		 7 C8 H16 N2 O4 InChI=1S/C8H16N2O4/c1-8(1
    0,7(13)14)4-2-3-5(9)6(11)
    12/h5H,2-4,9-10H2,1H3,(H,
    11,12)(H,13,14)/t5-,8-/m0
    /s1;
    TVZGBXIJPFGQBJ-XNCJUZBTSA-N    		 C[C@](CCC[C@@H](C(=O)O)N)(C(=O)O)N; C[C]
    (N)(CCC[CH](N)C(O)=O)C(O)=O; CC(CCCC(C(=
    O)O)N)(C(=O)O)N; C[C@](N)(CCC[C@H](N)C(O
    )=O)C(O)=O; O=C(O)C(N)(CCCC(N)C(=O)O)C    		 (2S,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
    45027
    ZDR    		 7 C8 H16 N2 O4 InChI=1S/C8H16N2O4/c1-8(1
    0,7(13)14)4-2-3-5(9)6(11)
    12/h5H,2-4,9-10H2,1H3,(H,
    11,12)(H,13,14)/t5-,8+/m0
    /s1;
    TVZGBXIJPFGQBJ-YLWLKBPMSA-N    		 C[C](N)(CCC[CH](N)C(O)=O)C(O)=O; CC(CCCC
    (C(=O)O)N)(C(=O)O)N; C[C@@](N)(CCC[C@H](
    N)C(O)=O)C(O)=O; O=C(O)C(N)(CCCC(N)C(=O)
    O)C; C[C@@](CCC[C@@H](C(=O)O)N)(C(=O)O)N    		 (2R,6S)-2,6-DIAMINO-2-METHYLHEPTANEDIOIC ACID
    45028
    ZDU
    ZINC000058649875    		 0 C12 H20 N3 O8 P InChI=1S/C12H20N3O8P/c13-
    3-1-2-7-5-15(12(18)14-11(
    7)17)10-4-8(16)9(23-10)6-
    22-24(19,20)21/h5,8-10,16
    H,1-4,6,13H2,(H,14,17,18)
    (H2,19,20,21)/t8-,9+,10+/
    m0/s1;
    DPQBGKUKUKNQCZ-IVZWLZJFSA-N    		 NCCCC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=
    O)O2)C(=O)NC1=O; O=C1NC(=O)N(C=C1CCCN)C2
    OC(C(O)C2)COP(=O)(O)O; C1[C@@H]([C@H](O[
    C@H]1N2C=C(C(=O)NC2=O)CCCN)COP(=O)(O)O)O
    ; C1C(C(OC1N2C=C(C(=O)NC2=O)CCCN)COP(=O)
    (O)O)O; NCCCC1=CN([C@H]2C[C@H](O)[C@@H](
    CO[P](O)(O)=O)O2)C(=O)NC1=O    		 5-(3-AMINOPROPYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
    45029
    ZDV
    CHEMBL12722
    ZINC000000152271    		 0 C7 H8 F N InChI=1S/C7H8FN/c8-7-3-1-
    2-6(4-7)5-9/h1-4H,5,9H2;
    QVSVMNXRLWSNGS-UHFFFAOYSA-N    		 c1cc(cc(c1)F)CN; NCc1cccc(F)c1; Fc1cc(cc
    c1)CN    		 1-(3-fluorophenyl)methanamine
    45030
    ZE0
    ZINC000102192298    		 35 C40 H56 O InChI=1S/C40H56O/c1-33(2)
    19-13-22-36(5)25-16-28-37
    (6)26-14-23-34(3)20-11-12
    -21-35(4)24-15-27-38(7)29
    -17-30-39(8)31-18-32-40(9
    ,10)41/h11-17,19-30,41H,1
    8,31-32H2,1-10H3/b12-11+,
    22-13+,23-14+,24-15+,28-1
    6+,29-17+,34-20+,35-21+,3
    6-25+,37-26+,38-27+,39-30
    +;
    SBVLKWMQRFTYPE-WRNKADOOSA-N    		 CC(C)=C/C=C/C(C)=C/C=C/C(C)=C/C=C/C(C)=C
    /C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)/CCCC(C
    )(C)O; OC(C)(C)CCCC(=C\C=C\C(=C\C=C\C(=C
    \C=C\C=C(\C=C\C=C(\C=C\C=C(\C=C\C=C(\C)C
    )C)C)C)C)C)\C; CC(=CC=CC(=CC=CC(=CC=CC(=
    CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCCC(C)(C)O)
    C)C)C)C; CC(=C/C=C/C(=C/C=C/C(=C/C=C/C(=
    C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C=C(\C)/CC
    CC(C)(C)O)/C)/C)/C)C; CC(C)=CC=CC(C)=CC=
    CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC=C
    (C)CCCC(C)(C)O    		 (3'E)-3',4'-didehydro-1,2-dihydro-psi,psi-caroten-1-ol
    45031
    ZE2
    ZINC000067490685    		 1 C17 H25 N O5 S InChI=1S/C17H25NO5S/c1-23
    -15-6-7-16(14-5-3-2-4-13(
    14)15)24(21,22)18-10-8-17
    (20,12-19)9-11-18/h6-7,19
    -20H,2-5,8-12H2,1H3;
    HMRYHSCJKFERQE-UHFFFAOYSA-N    		 COc1ccc(c2CCCCc12)[S](=O)(=O)N3CCC(O)(CO
    )CC3; OC1(CCN(CC1)S(=O)(=O)c1ccc(OC)c2CC
    CCc21)CO; COc1ccc(c2c1CCCC2)S(=O)(=O)N3C
    CC(CC3)(CO)O    		 4-(hydroxymethyl)-1-(4-methoxy-5,6,7,8-tetrahydronaphthalene-1-sulfonyl)piperidin-4-ol
    45032
    ZE7    		 4 C12 H24 O InChI=1S/C12H24O/c13-11-7
    -2-1-4-8-12-9-5-3-6-10-12
    /h12-13H,1-11H2;
    SRWKSFRBHIWJSD-UHFFFAOYSA-N    		 OCCCCCCC1CCCCC1; C1CCC(CC1)CCCCCCO 6-cyclohexylhexan-1-ol
    45033
    ZE8
    CHEMBL504567
    DB03068
    ZINC000006119090    		 1 C9 H12 N2 O5 InChI=1S/C9H12N2O5/c12-4-
    5-6(13)7(14)8(16-5)11-3-1
    -2-10-9(11)15/h1-3,5-8,12
    -14H,4H2/t5-,6-,7-,8-/m1/
    s1;
    RPQZTTQVRYEKCR-WCTZXXKLSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC=N
    C2=O; O=C1N=CC=CN1C2OC(C(O)C2O)CO; OC[CH
    ]1O[CH]([CH](O)[CH]1O)N2C=CC=NC2=O; C1=C
    N(C(=O)N=C1)C2C(C(C(O2)CO)O)O; C1=CN(C(=
    O)N=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O
    )O    		 Zebularine
    45034
    ZE9    		 2 C14 H16 N2 O3 InChI=1S/C14H16N2O3/c1-9-
    5-6-13(19-9)11-8-12(14-4-
    3-7-18-14)16(15-11)10(2)1
    7/h3-7,11-12,15H,8H2,1-2H
    3/t11-,12-/m1/s1;
    PRJVEKCLDLKKGJ-VXGBXAGGSA-N    		 CC(=O)N1N[C@H](C[C@@H]1c2occc2)c3oc(C)cc
    3; Cc1ccc(o1)C2CC(N(N2)C(=O)C)c3ccco3; C
    C(=O)N1NC(CC1c1ccco1)c1ccc(C)o1; Cc1ccc(
    o1)C2C[C@@H](N(N2)C(=O)C)c3ccco3; CC(=O)
    N1N[CH](C[CH]1c2occc2)c3oc(C)cc3    		 1-[(3R,5R)-5-(furan-2-yl)-3-(5-methylfuran-2-yl)pyrazolidin-1-yl]ethan-1-one
    45035
    ZEA
    CHEMBL525239
    DB11337
    ZINC000004492895    		 38 C10 H13 N5 O InChI=1S/C10H13N5O/c1-7(4
    -16)2-3-11-9-8-10(13-5-12
    -8)15-6-14-9/h2,5-6,16H,3
    -4H2,1H3,(H2,11,12,13,14,
    15)/b7-2+;
    UZKQTCBAMSWPJD-FARCUNLSSA-N    		 CC(=CCNc1c2c([nH]cn2)ncn1)CO; C/C(=C\CNc
    1c2c([nH]cn2)ncn1)/CO; CC(/CO)=C\CNc1ncn
    c2[nH]cnc12; CC(CO)=CCNc1ncnc2[nH]cnc12;
    n2c1c(ncn1)c(nc2)NC\C=C(/C)CO    		 (2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol;
    TRANS-ZEATIN
    45036
    ZEB
    ZINC000005835192    		 1 C9 H14 N2 O6 InChI=1S/C9H14N2O6/c12-3-
    4-6(14)7(15)8(17-4)11-2-1
    -5(13)10-9(11)16/h1-2,4-8
    ,12-15H,3H2,(H,10,16)/t4-
    ,5-,6-,7-,8-/m1/s1;
    LUOTYVSEHPPZEM-FMDGEEDCSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=C[C@
    @H](O)NC2=O; C1=CN(C(=O)NC1O)C2C(C(C(O2)
    CO)O)O; C1=CN(C(=O)N[C@@H]1O)C2[C@@H]([C
    @@H]([C@H](O2)CO)O)O; OC[CH]1O[CH]([CH](
    O)[CH]1O)N2C=C[CH](O)NC2=O; O=C1NC(O)C=C
    N1C2OC(C(O)C2O)CO    		 4-HYDROXY-3,4-DIHYDRO-ZEBULARINE
    45037
    ZEC
    CHEMBL6685
    DB08765    		 8 C7 H6 N2 O3 S2 InChI=1S/C7H6N2O3S2/c8-14
    (11,12)7-9-5-2-1-4(10)3-6
    (5)13-7/h1-3,10H,(H2,8,11
    ,12);
    NOOBQTYVTDBXTL-UHFFFAOYSA-N    		 c1cc2c(cc1O)sc(n2)S(=O)(=O)N; O=S(=O)(c1
    nc2ccc(O)cc2s1)N; N[S](=O)(=O)c1sc2cc(O)
    ccc2n1    		 6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE
    45038
    ZED
    CHEMBL16332
    DB08766
    ZINC000003780852    		 1 C15 H19 N O3 S2 InChI=1S/C15H19NO3S2/c1-1
    0(9-20)14(17)16-8-12(7-13
    (16)15(18)19)21-11-5-3-2-
    4-6-11/h2-6,10,12-13,20H,
    7-9H2,1H3,(H,18,19)/t10-,
    12+,13+/m1/s1;
    UQWLOWFDKAFKAP-WXHSDQCUSA-N    		 C[CH](CS)C(=O)N1C[CH](C[CH]1C(O)=O)Sc2cc
    ccc2; O=C(N2C(C(=O)O)CC(Sc1ccccc1)C2)C(C
    )CS; CC(CS)C(=O)N1CC(CC1C(=O)O)Sc2ccccc2
    ; C[C@H](CS)C(=O)N1C[C@H](C[C@H]1C(=O)O)
    Sc2ccccc2; C[C@H](CS)C(=O)N1C[C@H](C[C@H
    ]1C(O)=O)Sc2ccccc2    		 L-PROLINE, 1-[(2S)-3-MERCAPTO-2-METHYL-1-OXOPROPYL]-4-(PHENYLTHIO)-, 4S;
    ZOFENOPRILAT
    45039
    ZEE
    ZINC000003581097    		 0 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3+,4+,5+,6-/m
    0/s1;
    WQZGKKKJIJFFOK-BSQWINAVSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; C([C@H]1[C@H](
    [C@H]([C@H]([C@H](O1)O)O)O)O)O; OC[CH]1O
    [CH](O)[CH](O)[CH](O)[CH]1O; OC[C@@H]1O[
    C@H](O)[C@H](O)[C@H](O)[C@@H]1O; OC1C(O)
    C(OC(O)C1O)CO    		 beta-L-talopyranose;
    beta-L-talose;
    L-talose;
    talose;
    L-talopyranose
    45040
    ZEG
    ZINC000008225552    		 1 C19 H17 F N2 O3 S2 InChI=1S/C19H17FN2O3S2/c2
    0-16-5-1-15(2-6-16)19-21-
    18(13-26-19)14-3-7-17(8-4
    -14)27(23,24)22-9-11-25-1
    2-10-22/h1-8,13H,9-12H2;
    JYTYZKKXJTUPJO-UHFFFAOYSA-N    		 Fc1ccc(cc1)c2scc(n2)c3ccc(cc3)[S](=O)(=O
    )N4CCOCC4; c1cc(ccc1c2nc(cs2)c3ccc(cc3)S
    (=O)(=O)N4CCOCC4)F; O=S(=O)(N1CCOCC1)c1c
    cc(cc1)c1csc(n1)c1ccc(F)cc1    		 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine
    45041
    ZEI
    CHEMBL122413
    ZINC000000009321    		 4 C16 H14 Cl N O2 InChI=1S/C16H14ClNO2/c1-2
    0-15-4-2-3-14(11-15)18-16
    (19)10-7-12-5-8-13(17)9-6
    -12/h2-11H,1H3,(H,18,19)/
    b10-7+;
    RYAMDQKWNKKFHD-JXMROGBWSA-N    		 COc1cccc(NC(=O)C=Cc2ccc(Cl)cc2)c1; Clc1c
    cc(/C=C/C(=O)Nc2cccc(OC)c2)cc1; COc1cccc
    (c1)NC(=O)C=Cc2ccc(cc2)Cl; COc1cccc(NC(=
    O)/C=C/c2ccc(Cl)cc2)c1; COc1cccc(c1)NC(=
    O)/C=C/c2ccc(cc2)Cl    		 (2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide;
    SB-366791
    45042
    ZEK
    ZINC000013630571    		 1 C10 H12 N2 O2 InChI=1S/C10H12N2O2/c1-7(
    13)12-9-5-3-4-8(6-9)10(14
    )11-2/h3-6H,1-2H3,(H,11,1
    4)(H,12,13);
    FLRVBCQOMWVNPY-UHFFFAOYSA-N    		 O=C(C)Nc1cc(ccc1)C(=O)NC; CNC(=O)c1cccc(
    NC(C)=O)c1; CC(=O)Nc1cccc(c1)C(=O)NC    		 3-acetamido-N-methylbenzamide
    45043
    ZEL
    ZINC000012358689    		 4 C7 H14 O6 InChI=1S/C7H14O6/c1-12-7-
    6(11)5(10)4(9)3(2-8)13-7/
    h3-11H,2H2,1H3/t3-,4-,5-,
    6+,7-/m1/s1;
    HOVAGTYPODGVJG-BNWJMWRWSA-N    		 CO[C@H]1[C@H]([C@@H]([C@@H]([C@H](O1)CO)
    O)O)O; OC1C(O)C(O)C(OC1OC)CO; CO[C@@H]1O
    [C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O; CO[
    CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O; COC1C
    (C(C(C(O1)CO)O)O)O    		 methyl beta-D-altropyranoside
    45044
    ZEM    		 1 C34 H32 N4 O5 Zn InChI=1S/C34H34N4O5.Zn/c1
    -7-20-16(3)24-14-27-21(8-
    2)18(5)32(37-27)34(43)33-
    19(6)23(10-12-31(41)42)29
    (38-33)15-28-22(9-11-30(3
    9)40)17(4)25(36-28)13-26(
    20)35-24;/h7-8,13-15H,1-2
    ,9-12H2,3-6H3,(H5,35,36,3
    7,38,39,40,41,42,43);/q;+
    2/p-2/b24-14-,25-13-,26-1
    3-,27-14-,28-15-,29-15-,3
    4-32+,34-33+;;
    GKGQUBKNYNPVCL-GYHFSKQYSA-L    		 CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N@]5C(=CC6=N
    C(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(
    C=C)C5=CC1=N2)C; Cc1c(c2n3c1C(=C4C(=C(C5
    =[N]4[Zn]36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C
    )C(=C(C7=C2)CCC(=O)O)C)C=C)C)O)CCC(=O)O;
    CC1=C(CCC(O)=O)C2=Cc3n4[Zn][N]5C(=CC6=N
    C(=C(O)c4c(C)c3CCC(O)=O)C(=C6C=C)C)C(=C(
    C=C)C5=CC1=N2)C    		 20-OXO-PROTOPORPHYRIN IX CONTAINING ZN(II);
    ZN(II)-(20-OXO-PROTOPORPHYRIN IX)
    45045
    ZEN
    CHEMBL270527
    DB01836
    ZINC000003581069    		 5 C25 H27 Cl N4 O3 S InChI=1S/C25H27ClN4O3S/c2
    6-22-3-1-21-18-24(4-2-20(
    21)17-22)34(32,33)30-15-1
    3-29(14-16-30)25(31)19-7-
    11-28(12-8-19)23-5-9-27-1
    0-6-23/h1-6,9-10,17-19H,7
    -8,11-16H2;
    ZLAKCKVFSRSENR-UHFFFAOYSA-N    		 Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CCN(C(=O)C4
    CCN(c3ccncc3)CC4)CC5; c1cc(cc2c1cc(cc2)C
    l)S(=O)(=O)N3CCN(CC3)C(=O)C4CCN(CC4)c5cc
    ncc5; Clc1ccc2cc(ccc2c1)[S](=O)(=O)N3CCN
    (CC3)C(=O)C4CCN(CC4)c5ccncc5    		 [4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE
    45046
    ZEP    		 1 C20 H21 F N2 O2 S2 InChI=1S/C20H21FN2O2S2/c1
    -3-23(4-2)27(24,25)17-11-
    9-15(10-12-17)19-14-26-20
    (22-19)13-16-7-5-6-8-18(1
    6)21/h5-12,14H,3-4,13H2,1
    -2H3;
    PZNJPNGENGJLBG-UHFFFAOYSA-N    		 CCN(CC)S(=O)(=O)c1ccc(cc1)c2csc(n2)Cc3cc
    ccc3F; CCN(CC)S(=O)(=O)c1ccc(cc1)c1csc(C
    c2ccccc2F)n1; CCN(CC)[S](=O)(=O)c1ccc(cc
    1)c2csc(Cc3ccccc3F)n2    		 N,N-diethyl-4-{2-[(2-fluorophenyl)methyl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
    45047
    ZER
    CHEMBL454173
    ZINC000003881412    		 20 C18 H22 O5 InChI=1S/C18H22O5/c1-12-6
    -5-9-14(19)8-4-2-3-7-13-1
    0-15(20)11-16(21)17(13)18
    (22)23-12/h3,7,10-12,20-2
    1H,2,4-6,8-9H2,1H3/b7-3+/
    t12-/m0/s1;
    MBMQEIFVQACCCH-QBODLPLBSA-N    		 CC1CCCC(=O)CCCC=Cc2cc(cc(c2C(=O)O1)O)O;
    O=C1OC(CCCC(=O)CCCC=Cc2cc(O)cc(O)c12)C;
    C[C@H]1CCCC(=O)CCC/C=C/c2cc(cc(c2C(=O)O1
    )O)O; C[C@H]1CCCC(=O)CCC\C=C\c2cc(O)cc(O
    )c2C(=O)O1; C[CH]1CCCC(=O)CCCC=Cc2cc(O)c
    c(O)c2C(=O)O1    		 (3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione;
    Zearalenone
    45048
    ZES
    CHEMBL10413
    DB02132
    ZINC000000596737    		 1 C17 H11 Br Cl F N2 O4 InChI=1S/C17H11BrClFN2O4/
    c18-10-2-1-9(13(20)5-10)7
    -22-16(25)12-4-3-11(19)6-
    14(12)21(17(22)26)8-15(23
    )24/h1-6H,7-8H2,(H,23,24);
    SXONDGSPUVNZLO-UHFFFAOYSA-N    		 OC(=O)CN1C(=O)N(Cc2ccc(Br)cc2F)C(=O)c3cc
    c(Cl)cc13; c1cc2c(cc1Cl)N(C(=O)N(C2=O)Cc
    3ccc(cc3F)Br)CC(=O)O; Brc1ccc(c(F)c1)CN3
    C(=O)c2c(cc(Cl)cc2)N(C3=O)CC(=O)O    		 [3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLORO-2,4-DIOXO-3,4-DIHYDRO-2H-QUINAZOLIN-1-YL]-ACETIC ACID
    45049
    ZEU
    ZINC000002569273    		 0 C9 H18 O3 InChI=1S/C9H18O3/c10-8-6-
    4-2-1-3-5-7-9(11)12/h10H,
    1-8H2,(H,11,12);
    AFZMICRBFKZNIH-UHFFFAOYSA-N    		 O=C(O)CCCCCCCCO; C(CCCCO)CCCC(=O)O; OCCC
    CCCCCC(O)=O    		 9-hydroxynonanoic acid
    45050
    ZEV    		 1 C20 H20 F2 N10 O9 P2 S2 InChI=1S/C20H22F2N10O9P2S
    2/c21-8-6-1-36-42(34,44)4
    0-12-7(39-18(9(12)22)31-4
    -27-10-14(23)25-3-26-15(1
    0)31)2-37-43(35,45)41-13(
    8)19(38-6)32-5-28-11-16(3
    2)29-20(24)30-17(11)33/h3
    -9,12-13,18-19H,1-2H2,(H,
    34,44)(H,35,45)(H2,23,25,
    26)(H3,24,29,30,33)/p-2/t
    6-,7-,8-,9+,12-,13-,18-,1
    9-,42-,43-/m1/s1;
    YSUIQYOGTINQIN-CLMXYZJCSA-L    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P
    @@]([O-])(=S)O[C@H]5[C@H](F)[C@@H](O[C@@
    H]5CO[P@@]([O-])(=S)O[C@@H]3[C@@H]4F)n6c
    nc7c(N)ncnc67; c1nc(c2c(n1)n(cn2)[C@H]3[
    C@H]([C@H]4[C@H](O3)CO[P@@](=S)(O[C@@H]5
    [C@@H]([C@@H](CO[P@@](=S)(O4)[O-])O[C@H]
    5n6cnc7c6N=C(NC7=O)N)F)[O-])F)N; c1nc(c2
    c(n1)n(cn2)C3C(C4C(O3)COP(=S)(OC5C(C(COP
    (=S)(O4)[O-])OC5n6cnc7c6N=C(NC7=O)N)F)[O
    -])F)N; NC1=Nc2c(ncn2C2OC3COP([O-])(=S)O
    C4C(F)C(OC4COP([O-])(=S)OC2C3F)n2cnc3c(N
    )ncnc32)C(=O)N1; NC1=Nc2n(cnc2C(=O)N1)[C
    H]3O[CH]4CO[P]([O-])(=S)O[CH]5[CH](F)[CH
    ](O[CH]5CO[P]([O-])(=S)O[CH]3[CH]4F)n6cn
    c7c(N)ncnc67    		 (2R,5R,7R,8S,10R,12aR,14R,15S,15aR,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-15,16-difluoro-2,10-bis(sulfanyl)octahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione
    45051
    ZEX    		 200 C40 H56 O2 InChI=1S/C40H56O2/c1-29(1
    7-13-19-31(3)21-23-35-25-
    34(6)38(42)28-39(35,7)8)1
    5-11-12-16-30(2)18-14-20-
    32(4)22-24-37-33(5)26-36(
    41)27-40(37,9)10/h11-25,3
    4,36,38,41-42H,26-28H2,1-
    10H3/b12-11+,17-13+,18-14
    +,23-21+,24-22+,29-15+,30
    -16+,31-19+,32-20+/t34-,3
    6-,38+/m0/s1;
    YRMDXLDAZBQLBK-WIHRHFSMSA-N    		 C[CH]1C=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)C=C
    C=C(C)C=CC2=C(C)C[CH](O)CC2(C)C)C(C)(C)C
    [CH]1O; CC1C=C(C(CC1O)(C)C)C=CC(=C\C=C\C
    (=CC=CC=C(C)C=C\C=C(/C)\C=CC2=C(C[C@@H](
    CC2(C)C)O)C)C)C; OC2CC(=C(\C=C\C(=C\C=C\
    C(=C\C=C\C=C(\C=C\C=C(\C=C\C1=CC(C)C(O)C
    C1(C)C)C)C)C)C)C(C)(C)C2)C; CC1C=C(C(CC1
    O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C
    =CC2=C(CC(CC2(C)C)O)C)C)C; C[C@H]1C=C(/C
    =C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(
    C)/C=C/C2=C(C)C[C@H](O)CC2(C)C)C(C)(C)C[
    C@H]1O    		 (1R,2S)-4-{(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl}-2,5,5-trimethylcyclohex-3-en-1-ol
    45052
    ZEZ
    ZINC000013523718    		 2 C10 H13 N5 O InChI=1S/C10H13N5O/c1-7(4
    -16)2-3-11-9-8-10(13-5-12
    -8)15-6-14-9/h2,5-6,16H,3
    -4H2,1H3,(H2,11,12,13,14,
    15)/b7-2-;
    UZKQTCBAMSWPJD-UQCOIBPSSA-N    		 CC(=CCNc1c2c([nH]cn2)ncn1)CO; n2c1c(ncn1
    )c(nc2)NC/C=C(/C)CO; CC(CO)=CCNc1ncnc2[n
    H]cnc12; C\C(CO)=C\CNc1ncnc2[nH]cnc12; C
    /C(=C/CNc1c2c([nH]cn2)ncn1)/CO    		 (2Z)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol;
    CIS-ZEATIN
    45053
    ZF0
    CHEMBL274573
    ZINC000002015949    		 0 C8 H11 N InChI=1S/C8H11N/c1-7-3-2-
    4-8(5-7)6-9/h2-5H,6,9H2,1
    H3;
    RGXUCUWVGKLACF-UHFFFAOYSA-N    		 Cc1cccc(c1)CN; NCc1cccc(c1)C; Cc1cccc(CN
    )c1    		 1-(3-methylphenyl)methanamine
    45054
    ZF1
    CHEMBL8145
    DB13182
    ZINC000018847034    		 4 C15 H10 O4 InChI=1S/C15H10O4/c16-10-
    3-1-9(2-4-10)13-8-19-14-7
    -11(17)5-6-12(14)15(13)18
    /h1-8,16-17H;
    ZQSIJRDFPHDXIC-UHFFFAOYSA-N    		 c1cc(ccc1C2=COc3cc(ccc3C2=O)O)O; O=C1c3c
    (OC=C1c2ccc(O)cc2)cc(O)cc3; Oc1ccc(cc1)C
    2=COc3cc(O)ccc3C2=O    		 7-hydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
    45055
    ZF7    		 1 C28 H31 F6 N O3 InChI=1S/C28H31F6NO3/c1-1
    5(35-20-7-8-21(35)13-18(1
    2-20)26(36)37)17-3-2-16-4
    -11-24(25(23(16)14-17)28(
    32,33)34)38-22-9-5-19(6-1
    0-22)27(29,30)31/h2-4,11,
    14-15,18-22H,5-10,12-13H2
    ,1H3,(H,36,37)/t15-,18-,1
    9-,20+,21-,22+/m0/s1;
    PZASAAIJIFDWSB-CUWQMCGTSA-N    		 CC(c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(CC3)
    C(F)(F)F)N4C5CCC4CC(C5)C(=O)O; C[C@H](N1
    [C@@H]2CC[C@H]1C[C@H](C2)C(O)=O)c3ccc4cc
    c(O[C@@H]5CC[C@@H](CC5)C(F)(F)F)c(c4c3)C
    (F)(F)F; FC(F)(F)C1CCC(CC1)Oc1ccc2ccc(cc
    2c1C(F)(F)F)C(C)N1C2CC(CC1CC2)C(=O)O; C[
    C@@H](c1ccc2ccc(c(c2c1)C(F)(F)F)OC3CCC(C
    C3)C(F)(F)F)N4[C@@H]5CC[C@H]4CC(C5)C(=O)
    O; C[CH](N1[CH]2CC[CH]1C[CH](C2)C(O)=O)c
    3ccc4ccc(O[CH]5CC[CH](CC5)C(F)(F)F)c(c4c
    3)C(F)(F)F    		 (1R,3S,5S)-8-{(1S)-1-[8-(trifluoromethyl)-7-{[(1s,4R)-4-(trifluoromethyl)cyclohexyl]oxy}naphthalen-2-yl]ethyl}-8-azabicyclo[3.2.1]octane-3-carboxylic acid;
    BIO-32546
    45056
    ZF9    		 4 C10 H19 N5 O22 P6 InChI=1S/C10H19N5O22P6/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-7(17)6(16)4(32-10)1
    -31-39(21,22)34-41(25,26)
    36-43(29,30)37-42(27,28)3
    5-40(23,24)33-38(18,19)20
    /h2-4,6-7,10,16-17H,1H2,(
    H,21,22)(H,23,24)(H,25,26
    )(H,27,28)(H,29,30)(H2,11
    ,12,13)(H2,18,19,20)/t4-,
    6-,7-,10-/m1/s1;
    MCJDQUICRUJHMC-KQYNXXCUSA-N    		 O=P(O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=
    O)(O)OP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(
    O)C1O; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](
    O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O
    [P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)
    O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O; c1nc(
    c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)
    (O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O
    )O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([
    C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)
    (O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N    		 adenosine 5'-hexaphosphate
    45057
    ZFB
    DB02766
    ZINC000103562579    		 4 C18 H18 N3 O3 InChI=1S/C18H17N3O3/c19-2
    0-12-17(22)16(11-14-7-3-1
    -4-8-14)21-18(23)24-13-15
    -9-5-2-6-10-15/h1-10,16H,
    11-13H2/p+1/t16-/m1/s1;
    VLIGBVLLNSWVMI-MRXNPFEDSA-O    		 c1ccc(cc1)CC(C(=O)C[N+]#N)NC(=O)OCc2cccc
    c2; N#[N+]CC(=O)C(NC(=O)OCc1ccccc1)Cc2cc
    ccc2; O=C(N[C@H](Cc1ccccc1)C(=O)C[N+]#N)
    OCc2ccccc2; O=C(N[CH](Cc1ccccc1)C(=O)C[N
    +]#N)OCc2ccccc2; c1ccc(cc1)C[C@H](C(=O)C
    [N+]#N)NC(=O)OCc2ccccc2    		 (3R)-3-{[(BENZYLOXY)CARBONYL]AMINO}-2-OXO-4-PHENYLBUTANE-1-DIAZONIUM
    45058
    ZFC
    CHEMBL444525
    ZINC000001596062    		 10 C11 H24 O InChI=1S/C11H24O/c1-2-3-4
    -5-6-7-8-9-10-11-12/h12H,
    2-11H2,1H3;
    KJIOQYGWTQBHNH-UHFFFAOYSA-N    		 OCCCCCCCCCCC; CCCCCCCCCCCO undecan-1-ol
    45059
    ZFG    		 4 C16 H19 N S InChI=1S/C16H19NS/c1-5-12
    (2)15-10-11-16(18-15)13-6
    -8-14(9-7-13)17(3)4/h5-11
    H,1-4H3/b12-5+;
    AMMZMSCAYJQWSM-LFYBBSHMSA-N    		 C\C=C(/C)c1sc(cc1)c2ccc(cc2)N(C)C; CC=C(
    C)c1ccc(s1)c2ccc(cc2)N(C)C; C/C=C(\C)/c1
    ccc(s1)c2ccc(cc2)N(C)C; C/C(=C\C)c1ccc(s
    1)c1ccc(cc1)N(C)C; CC=C(C)c1sc(cc1)c2ccc
    (cc2)N(C)C    		 4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}-N,N-dimethylaniline
    45060
    ZFI
    ZINC000000346135    		 2 C9 H11 N O3 S InChI=1S/C9H11NO3S/c1-7(1
    1)10-8-5-3-4-6-9(8)14(2,1
    2)13/h3-6H,1-2H3,(H,10,11
    );
    NGWCPCSZLLJKPD-UHFFFAOYSA-N    		 CC(=O)Nc1ccccc1S(=O)(=O)C; CC(=O)Nc1cccc
    c1[S](C)(=O)=O; O=S(C)(=O)c1ccccc1NC(C)=
    O    		 N-[2-(methanesulfonyl)phenyl]acetamide
    45061
    ZFJ    		 12 C22 H27 N InChI=1S/C22H27N/c1-6-9-1
    6-10-12-18-19-13-11-17(23
    (7-2)8-3)15-21(19)22(4,5)
    20(18)14-16/h6,9-15H,7-8H
    2,1-5H3/b9-6+;
    UMARKYXLRJLTSK-RMKNXTFCSA-N    		 CCN(CC)c1ccc2c3ccc(C=CC)cc3C(C)(C)c2c1;
    CCN(CC)c1ccc2c3ccc(\C=C\C)cc3C(C)(C)c2c1
    ; CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)C=CC)(
    C)C; CCN(CC)c1ccc2c3ccc(cc3C(C)(C)c2c1)\
    C=C\C; CCN(CC)c1ccc-2c(c1)C(c3c2ccc(c3)/
    C=C/C)(C)C    		 (4aP)-N,N-diethyl-9,9-dimethyl-7-[(1E)-prop-1-en-1-yl]-9H-fluoren-2-amine
    45062
    ZFP    		 3 C17 H19 N S InChI=1S/C17H19NS/c1-3-13
    (2)16-9-10-17(19-16)14-5-
    7-15(8-6-14)18-11-4-12-18
    /h3,5-10H,4,11-12H2,1-2H3
    /b13-3+;
    UJDWZSVKXHLFTM-QLKAYGNNSA-N    		 C/C=C(\C)/c1ccc(s1)c2ccc(cc2)N3CCC3; CC=
    C(C)c1sc(cc1)c2ccc(cc2)N3CCC3; CC=C(C)c1
    ccc(s1)c2ccc(cc2)N3CCC3; C/C=C(C)/c1sc(c
    c1)c2ccc(cc2)N3CCC3; C/C(=C\C)c1ccc(s1)c
    1ccc(cc1)N1CCC1    		 1-(4-{5-[(2E)-but-2-en-2-yl]thiophen-2-yl}phenyl)azetidine
    45063
    ZFR
    ZINC000584905723    		 6 C17 H24 O4 InChI=1S/C17H24O4/c1-13(1
    8)6-5-9-15(19)8-4-2-3-7-1
    4-10-16(20)12-17(21)11-14
    /h3,7,10-13,18,20-21H,2,4
    -6,8-9H2,1H3/b7-3+/t13-/m
    0/s1;
    TVXRLKRGDWQGQV-MXPWBENCSA-N    		 C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1)O)O)O
    ; C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O)cc(O)c
    1; CC(CCCC(=O)CCCC=Cc1cc(cc(c1)O)O)O; C[
    CH](O)CCCC(=O)CCCC=Cc1cc(O)cc(O)c1; c1c(
    O)cc(cc1\C=C\CCCC(=O)CCCC(O)C)O    		 (1E,10S)-1-(3,5-dihydroxyphenyl)-10-hydroxyundec-1-en-6-one
    45064
    ZFS
    CHEMBL1992306
    ZINC000063298382    		 4 C21 H17 F3 N4 O3 InChI=1S/C21H17F3N4O3/c1-
    25-19(29)18-12-17(9-10-26
    -18)31-16-7-5-14(6-8-16)2
    7-20(30)28-15-4-2-3-13(11
    -15)21(22,23)24/h2-12H,1H
    3,(H,25,29)(H2,27,28,30);
    WFTZMAAMCVPJJT-UHFFFAOYSA-N    		 CNC(=O)c1cc(ccn1)Oc2ccc(cc2)NC(=O)Nc3ccc
    c(c3)C(F)(F)F; CNC(=O)c1cc(Oc2ccc(NC(=O)
    Nc3cccc(c3)C(F)(F)F)cc2)ccn1; O=C(NC)c1c
    c(Oc2ccc(NC(=O)Nc3cc(ccc3)C(F)(F)F)cc2)c
    cn1    		 N-methyl-4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]pyridine-2-carboxamide
    45065
    ZFW    		 1 C25 H34 Cl N5 O7 InChI=1S/C25H34ClN5O7/c1-
    11(2)37-17-9-14(12(3)8-16
    (17)29-25-28-10-15(26)22(
    27)30-25)13-4-6-31(7-5-13
    )23-20(34)18(32)19(33)21(
    38-23)24(35)36/h8-11,13,1
    8-21,23,32-34H,4-7H2,1-3H
    3,(H,35,36)(H3,27,28,29,3
    0)/t18-,19-,20+,21-,23+/m
    0/s1;
    SFTKCGCNKCPXPY-KHYDEXNFSA-N    		 CC(C)Oc1cc(c(C)cc1Nc1nc(N)c(Cl)cn1)C1CCN
    (CC1)C1OC(C(O)C(O)C1O)C(=O)O; Cc1cc(c(cc
    1C2CCN(CC2)C3C(C(C(C(O3)C(=O)O)O)O)O)OC(
    C)C)Nc4ncc(c(n4)N)Cl; Cc1cc(c(cc1C2CCN(C
    C2)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(
    =O)O)O)O)O)OC(C)C)Nc4ncc(c(n4)N)Cl; CC(C
    )Oc1cc(C2CCN(CC2)[CH]3O[CH]([CH](O)[CH](
    O)[CH]3O)C(O)=O)c(C)cc1Nc4ncc(Cl)c(N)n4;
    CC(C)Oc1cc(C2CCN(CC2)[C@@H]3O[C@@H]([C@
    @H](O)[C@H](O)[C@H]3O)C(O)=O)c(C)cc1Nc4n
    cc(Cl)c(N)n4    		 4-amino-5-chloro-2-{4-(1-beta-D-glucopyranuronosylpiperidin-4-yl)-5-methyl-2-[(propan-2-yl)oxy]anilino}pyrimidine
    45066
    ZFY
    CHEMBL5283284    		 8 C20 H19 F3 N6 O3 S2 InChI=1S/C20H19F3N6O3S2/c
    1-19(2,15-10-33-18(27-15)
    29-34(31,32)12-4-5-12)17(
    30)28-16-6-3-11(7-25-16)1
    3-8-24-9-14(26-13)20(21,2
    2)23/h3,6-10,12H,4-5H2,1-
    2H3,(H,27,29)(H,25,28,30);
    CZIDGRDZSFIUHX-UHFFFAOYSA-N    		 O=S(=O)(Nc1nc(cs1)C(C)(C)C(=O)Nc1ccc(cn1
    )c1cncc(n1)C(F)(F)F)C1CC1; CC(C)(c1csc(n
    1)NS(=O)(=O)C2CC2)C(=O)Nc3ccc(cn3)c4cncc
    (n4)C(F)(F)F; CC(C)(C(=O)Nc1ccc(cn1)c2cn
    cc(n2)C(F)(F)F)c3csc(N[S](=O)(=O)C4CC4)n
    3    		 2-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
    45067
    ZG0
    CHEMBL1528164
    ZINC000000153024    		 1 C9 H11 N O InChI=1S/C9H11NO/c1-7-4-3
    -5-9(6-7)10-8(2)11/h3-6H,
    1-2H3,(H,10,11);
    ALMHSXDYCFOZQD-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(C)c1; Cc1cccc(c1)NC(=O)C;
    O=C(C)Nc1cc(C)ccc1    		 N-(3-methylphenyl)acetamide
    45068
    ZG1
    ZINC000038906537    		 1 C21 H27 N7 O3 InChI=1S/C21H27N7O3/c1-2-
    28-20-15(13-23-28)19(24-1
    4-5-9-30-10-6-14)16(12-22
    -20)21-25-17(26-31-21)11-
    18(29)27-7-3-4-8-27/h12-1
    4H,2-11H2,1H3,(H,22,24);
    WVSSDMGQAQMULY-UHFFFAOYSA-N    		 CCn1c2c(cn1)c(c(cn2)c3nc(no3)CC(=O)N4CCC
    C4)NC5CCOCC5; CCn1ncc2c(NC3CCOCC3)c(cnc1
    2)c4onc(CC(=O)N5CCCC5)n4; O=C(N1CCCC1)Cc
    2nc(on2)c4c(NC3CCOCC3)c5cnn(c5nc4)CC    		 1-ethyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazol-5-yl]-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
    45069
    ZG2
    ZINC000098209663    		 1 C29 H34 N6 O3 InChI=1S/C29H34N6O3/c1-2-
    35-28-22(19-31-35)27(32-2
    1-10-14-37-15-11-21)23(18
    -30-28)29-33-24(17-26(36)
    34-12-6-7-13-34)25(38-29)
    16-20-8-4-3-5-9-20/h3-5,8
    -9,18-19,21H,2,6-7,10-17H
    2,1H3,(H,30,32);
    XOLUUYCIKUMYDW-UHFFFAOYSA-N    		 O=C(N1CCCC1)Cc2nc(oc2Cc3ccccc3)c4c(c5c(n
    c4)n(nc5)CC)NC6CCOCC6; CCn1c2c(cn1)c(c(c
    n2)c3nc(c(o3)Cc4ccccc4)CC(=O)N5CCCC5)NC6
    CCOCC6; CCn1ncc2c(NC3CCOCC3)c(cnc12)c4oc
    (Cc5ccccc5)c(CC(=O)N6CCCC6)n4    		 5-[5-benzyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)-1,3-oxazol-2-yl]-1-ethyl-N-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo[3,4-b]pyridin-4-amine
    45070
    ZG4    		 20 C21 H22 N6 O4 S2 InChI=1S/C21H22N6O4S2/c1-
    2-31-18-11-22-10-16(24-18
    )13-3-6-15(23-9-13)19(28)
    26-21(7-8-21)17-12-32-20(
    25-17)27-33(29,30)14-4-5-
    14/h3,6,9-12,14H,2,4-5,7-
    8H2,1H3,(H,25,27)(H,26,28
    );
    VIXAYXSBOOBUNP-UHFFFAOYSA-N    		 CCOc1cncc(n1)c2ccc(nc2)C(=O)NC3(CC3)c4cs
    c(n4)NS(=O)(=O)C5CC5; CCOc1cncc(n1)c2ccc
    (nc2)C(=O)NC3(CC3)c4csc(N[S](=O)(=O)C5CC
    5)n4; O=S(=O)(Nc1nc(cs1)C1(NC(=O)c2ccc(c
    n2)c2cncc(OCC)n2)CC1)C1CC1    		 N-(1-{2-[(cyclopropanesulfonyl)amino]-1,3-thiazol-4-yl}cyclopropyl)-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
    45071
    ZG5    		 2 C23 H25 N3 O6 S InChI=1S/C23H25N3O6S/c27-
    17-18(28)20(23(30)31)32-2
    2(19(17)29)26-11-9-25(10-
    12-26)21-13-5-1-3-7-15(13
    )33-16-8-4-2-6-14(16)24-2
    1/h1-8,17-20,22,27-29H,9-
    12H2,(H,30,31)/t17-,18-,1
    9+,20-,22+/m0/s1;
    UKCFGNFADWVWOZ-SXFAUFNYSA-N    		 c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4)[C@H
    ]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)
    O)O; c1ccc2c(c1)C(=Nc3ccccc3S2)N4CCN(CC4
    )C5C(C(C(C(O5)C(=O)O)O)O)O; O=C(O)C1OC(C
    (O)C(O)C1O)N1CCN(CC1)C1=Nc2ccccc2Sc2cccc
    c21; O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)
    =O)N2CCN(CC2)C3=Nc4ccccc4Sc5ccccc35; O[C
    @@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O
    )=O)N2CCN(CC2)C3=Nc4ccccc4Sc5ccccc35    		 11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)dibenzo[b,f][1,4]thiazepine
    45072
    ZG6
    ZINC000000160835    		 1 C6 H8 N2 O2 InChI=1S/C6H8N2O2/c1-4-3-
    6(10-8-4)7-5(2)9/h3H,1-2H
    3,(H,7,9);
    UYQNAXVUQCFHSN-UHFFFAOYSA-N    		 CC(=O)Nc1onc(C)c1; Cc1cc(on1)NC(=O)C; O=
    C(C)Nc1cc(C)no1    		 N-(3-methyl-1,2-oxazol-5-yl)acetamide
    45073
    ZG7    		 4 C22 H14 Br Cl N4 O2 InChI=1S/C22H14BrClN4O2/c
    23-14-2-1-3-16(10-14)30-1
    8-12-26-20-17(11-25)19(27
    -28(20)21(18)29)22(8-9-22
    )13-4-6-15(24)7-5-13/h1-7
    ,10,12,29H,8-9H2;
    HDYWNCYXIMKORK-UHFFFAOYSA-N    		 Clc1ccc(cc1)C1(CC1)c1nn2c(O)c(cnc2c1C#N)
    Oc1cccc(Br)c1; Oc1n2nc(c(C#N)c2ncc1Oc3cc
    cc(Br)c3)C4(CC4)c5ccc(Cl)cc5; c1cc(cc(c1
    )Br)Oc2cnc3c(c(nn3c2O)C4(CC4)c5ccc(cc5)C
    l)C#N    		 (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile
    45074
    ZG9    		 1 C14 H25 N O8 InChI=1S/C14H25NO8/c1-8(1
    6)15-11-13(18)12(17)10(7-
    19-2)23-14(11)22-6-9-5-20
    -3-4-21-9/h9-14,17-18H,3-
    7H2,1-2H3,(H,15,16)/t9-,1
    0+,11+,12+,13+,14+/m0/s1;
    OSYFGNJAUIHPSL-YHBOFVJASA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1
    OC[C@@H]2COCCO2)COC)O)O; COC[CH]1O[CH](O
    C[CH]2COCCO2)[CH](NC(C)=O)[CH](O)[CH]1O;
    CC(=O)NC1C(C(C(OC1OCC2COCCO2)COC)O)O; C
    OC[C@H]1O[C@@H](OC[C@@H]2COCCO2)[C@H](NC
    (C)=O)[C@@H](O)[C@@H]1O; CC(=O)NC1C(O)C(
    O)C(COC)OC1OCC1COCCO1    		 [(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-6-O-methyl-beta-D-glucopyranoside
    45075
    ZGA
    CHEMBL280978
    ZINC000034803452    		 8 C35 H46 O14 InChI=1S/C35H46O14/c1-7-1
    9(2)17-20(3)13-14-25(37)4
    7-28-27(38)33(48-29(30(39
    )40)34(45,31(41)42)35(28,
    49-33)32(43)44)16-15-21(4
    )26(46-23(6)36)22(5)18-24
    -11-9-8-10-12-24/h8-14,19
    -20,22,26-29,38,45H,4,7,1
    5-18H2,1-3,5-6H3,(H,39,40
    )(H,41,42)(H,43,44)/b14-1
    3+/t19-,20+,22+,26+,27+,2
    8+,29+,33-,34+,35-/m0/s1;
    DFKDOZMCHOGOBR-NCSQYGPNSA-N    		 CC[C@H](C)C[C@H](C)/C=C/C(=O)O[C@@H]1[C@
    H]([C@]2(O[C@@H]([C@]([C@@]1(O2)C(=O)O)(
    C(=O)O)O)C(=O)O)CCC(=C)[C@H]([C@H](C)Cc3
    ccccc3)OC(=O)C)O; CC[C@H](C)C[C@H](C)/C=
    C/C(=O)O[C@@H]1[C@@H](O)[C@@]2(CCC(=C)[C
    @@H](OC(C)=O)[C@H](C)Cc3ccccc3)O[C@H](C(
    O)=O)[C@@](O)(C(O)=O)[C@@]1(O2)C(O)=O; C
    C[CH](C)C[CH](C)C=CC(=O)O[CH]1[CH](O)[C]
    2(CCC(=C)[CH](OC(C)=O)[CH](C)Cc3ccccc3)O
    [CH](C(O)=O)[C](O)(C(O)=O)[C]1(O2)C(O)=O
    ; CCC(C)CC(C)C=CC(=O)OC1C(C2(OC(C(C1(O2)
    C(=O)O)(C(=O)O)O)C(=O)O)CCC(=C)C(C(C)Cc3
    ccccc3)OC(=O)C)O; O=C(O)C1(O)C(OC2(OC1(C
    (=O)O)C(OC(=O)/C=C/C(C)CC(C)CC)C2O)CCC(=
    C)\C(OC(=O)C)C(C)Cc3ccccc3)C(=O)O    		 Zaragozic acid A;
    (1S,3S,4S,5R,6R,7R)-1-[(4S,5R)-4-(acetyloxy)-5-methyl-3-methylidene-6-phenylhexyl]-6-{[(2E,4S,6S)-4,6-dimethyloct-2-eno yl]oxy}-4,7-dihydroxy-2,8-dioxabicyclo[3.2.1]octane-3,4,5-tricarboxylic acid
    45076
    ZGB
    ZINC000000402356    		 5 C11 H14 O3 InChI=1S/C11H14O3/c1-8-7-
    9(4-6-11(12)13)3-5-10(8)1
    4-2/h3,5,7H,4,6H2,1-2H3,(
    H,12,13);
    ZATPJYSLVGVGGY-UHFFFAOYSA-N    		 COc1ccc(CCC(O)=O)cc1C; Cc1cc(ccc1OC)CCC(
    =O)O; O=C(O)CCc1ccc(OC)c(c1)C    		 3-(4-methoxy-3-methylphenyl)propanoic acid
    45077
    ZGC
    CHEMBL1738950
    ZINC000000391192    		 1 C10 H12 O3 InChI=1S/C10H12O3/c1-13-9
    -5-2-8(3-6-9)4-7-10(11)12
    /h2-3,5-6H,4,7H2,1H3,(H,1
    1,12);
    FIUFLISGGHNPSM-UHFFFAOYSA-N    		 COc1ccc(cc1)CCC(=O)O; COc1ccc(CCC(O)=O)c
    c1; O=C(O)CCc1ccc(OC)cc1    		 3-(4-methoxyphenyl)propanoic acid
    45078
    ZGD
    CHEMBL4869303    		 4 C19 H14 Cl2 F3 N5 O2 InChI=1S/C19H14Cl2F3N5O2/
    c1-25-15-8-16(27-9-26-15)
    31-17-13(20)6-12(7-14(17)
    21)29-18(30)28-11-4-2-3-1
    0(5-11)19(22,23)24/h2-9H,
    1H3,(H,25,26,27)(H2,28,29
    ,30);
    QOQADIYOLOHRAW-UHFFFAOYSA-N    		 CNc1cc(ncn1)Oc2c(cc(cc2Cl)NC(=O)Nc3cccc(
    c3)C(F)(F)F)Cl; CNc1cc(Oc2c(Cl)cc(NC(=O)
    Nc3cccc(c3)C(F)(F)F)cc2Cl)ncn1; CNc1cc(O
    c2c(Cl)cc(NC(=O)Nc3cc(ccc3)C(F)(F)F)cc2C
    l)ncn1    		 N-(3,5-dichloro-4-{[6-(methylamino)pyrimidin-4-yl]oxy}phenyl)-N'-[3-(trifluoromethyl)phenyl]urea
    45079
    ZGE
    ZINC000095920502    		 1 C12 H19 F N4 O7 InChI=1S/C12H19FN4O7/c1-3
    (19)16-7-6(17-12(14)15)5(
    13)9(11(22)23)24-10(7)8(2
    1)4(20)2-18/h4,6-8,10,18,
    20-21H,2H2,1H3,(H,16,19)(
    H,22,23)(H4,14,15,17)/t4-
    ,6+,7-,8-,10-/m1/s1;
    UCGICVWHWQNCDB-NSNFAWTCSA-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)F; CC(=O)NC1C
    (C(=C(OC1C(C(CO)O)O)C(=O)O)F)NC(=N)N; CC
    (=O)N[CH]1[CH](NC(N)=N)C(=C(O[CH]1[CH](O
    )[CH](O)CO)C(O)=O)F; [H]/N=C(/N)\N[C@@H]
    1[C@H]([C@@H](OC(=C1F)C(=O)O)[C@@H]([C@@
    H](CO)O)O)NC(=O)C; O=C(C)NC1C(N/C(N)=N)C
    (F)=C(OC1C(O)C(CO)O)C(O)=O    		 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-3-fluoro-D-glycero-D-galacto-non-2-enonic acid;
    (2R,3R,4R)-3-acetamido-4-carbamimidamido-5-fluoranyl-2-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]-3,4-dihydro-2H-pyran-6-carb oxylic acid
    45080
    ZGF    		 1 C9 H8 Cl N O3 InChI=1S/C9H8ClNO3/c1-5(1
    2)11-7-3-9-8(2-6(7)10)13-
    4-14-9/h2-3H,4H2,1H3,(H,1
    1,12);
    WITYEMPIFDFQAG-UHFFFAOYSA-N    		 CC(=O)Nc1cc2c(cc1Cl)OCO2; CC(=O)Nc1cc2OC
    Oc2cc1Cl    		 N-(6-chloro-2H-1,3-benzodioxol-5-yl)acetamide
    45081
    ZGG    		 2 C27 H27 N2 O InChI=1S/C27H27N2O/c1-30-
    26-13-8-7-12-24(26)29-20-
    25(28-19-9-3-6-14-27(28)2
    9)23-17-15-22(16-18-23)21
    -10-4-2-5-11-21/h2,4-5,7-
    8,10-13,15-18,20H,3,6,9,1
    4,19H2,1H3/q+1;
    ZXQNQLPFZBEUMQ-UHFFFAOYSA-N    		 COc1ccccc1n1cc([n+]2CCCCCc21)c1ccc(cc1)c
    1ccccc1; COc1ccccc1n2cc([n+]3c2CCCCC3)c4
    ccc(cc4)c5ccccc5; COc1ccccc1n2cc(c3ccc(c
    c3)c4ccccc4)[n+]5CCCCCc25    		 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene
    45082
    ZGI    		 2 C33 H46 N6 O5 S InChI=1S/C33H46N6O5S/c1-3
    1(2,3)25(37-30(44)38-32(4
    ,5)6)29(43)39-16-18-22(33
    (18,7)8)23(39)27(42)35-20
    (15-17-13-14-34-26(17)41)
    24(40)28-36-19-11-9-10-12
    -21(19)45-28/h9-12,17-18,
    20,22-23,25H,13-16H2,1-8H
    3,(H,34,41)(H,35,42)(H2,3
    7,38,44)/t17-,18-,20-,22-
    ,23-,25+/m0/s1;
    ZWFVHGRPHWFQQC-QLJGKSERSA-N    		 CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC(
    C)(C)C)C(=O)NC(CC3CCNC3=O)C(=O)c4nc5cccc
    c5s4)C; CC(C)(C)NC(=O)NC(C(=O)N1CC2C(C1C
    (=O)NC(CC1CCNC1=O)C(=O)c1nc3ccccc3s1)C2(
    C)C)C(C)(C)C; CC1([C@@H]2[C@H]1[C@H](N(C
    2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(
    =O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c4nc5ccc
    cc5s4)C; CC(C)(C)NC(=O)N[CH](C(=O)N1C[CH
    ]2[CH]([CH]1C(=O)N[CH](C[CH]3CCNC3=O)C(=
    O)c4sc5ccccc5n4)C2(C)C)C(C)(C)C; CC(C)(C
    )NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]
    1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)c4sc5
    ccccc5n4)C2(C)C)C(C)(C)C    		 (1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
    45083
    ZGJ    		 2 C26 H26 N3 O InChI=1S/C26H25N3O/c1-30-
    25-12-6-5-11-23(25)24-19-
    29(26-27-17-7-8-18-28(24)
    26)22-15-13-21(14-16-22)2
    0-9-3-2-4-10-20/h2-6,9-16
    ,19H,7-8,17-18H2,1H3/p+1;
    HGDBKVRVNGXGJR-UHFFFAOYSA-O    		 COc1ccccc1c2c[n+](c3NCCCCn23)c4ccc(cc4)c
    5ccccc5; COc1ccccc1c1c[n+](c2NCCCCn21)c1
    ccc(cc1)c1ccccc1; COc1ccccc1c2c[n+](c3n2
    CCCCN3)c4ccc(cc4)c5ccccc5    		 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine
    45084
    ZGK
    CHEMBL1880779
    ZINC000000282251    		 1 C9 H11 N O2 InChI=1S/C9H11NO2/c1-7(11
    )10-8-5-3-4-6-9(8)12-2/h3
    -6H,1-2H3,(H,10,11);
    FGOFNVXHDGQVBG-UHFFFAOYSA-N    		 CC(=O)Nc1ccccc1OC; COc1ccccc1NC(C)=O N-(2-methoxyphenyl)acetamide
    45085
    ZGL
    ZINC000002560808    		 2 C5 H10 N2 O3 InChI=1S/C5H10N2O3/c6-3(5
    (7)10)1-2-4(8)9/h3H,1-2,6
    H2,(H2,7,10)(H,8,9)/t3-/m
    1/s1;
    AEFLONBTGZFSGQ-GSVOUGTGSA-N    		 O=C(N)C(N)CCC(=O)O; C(CC(=O)O)C(C(=O)N)N
    ; N[CH](CCC(O)=O)C(N)=O; N[C@H](CCC(O)=O
    )C(N)=O; C(CC(=O)O)[C@H](C(=O)N)N    		 D-alpha-glutamine;
    Iso-D-glutamine
    45086
    ZGM    		 6 C7 H10 O6 InChI=1S/C7H10O6/c8-4(1-2
    -6(10)11)3-5(9)7(12)13/h4
    ,8H,1-3H2,(H,10,11)(H,12,
    13)/t4-/m0/s1;
    HNOAJOYERZTSNK-BYPYZUCNSA-N    		 O[CH](CCC(O)=O)CC(=O)C(O)=O; O[C@@H](CCC
    (O)=O)CC(=O)C(O)=O; O=C(CC(O)CCC(O)=O)C(
    =O)O; C(CC(=O)O)C(CC(=O)C(=O)O)O    		 (4S)-4-hydroxy-2-oxoheptanedioic acid
    45087
    ZGO    		 1 C33 H54 N6 O6 S InChI=1S/C33H54N6O6S/c1-3
    0(2,3)25(37-29(43)38-33(1
    3-10-9-11-14-33)19-46(44,
    45)31(4,5)6)28(42)39-18-2
    2-23(32(22,7)8)24(39)27(4
    1)36-21(17-34)16-20-12-15
    -35-26(20)40/h20-25H,9-16
    ,18-19H2,1-8H3,(H,35,40)(
    H,36,41)(H2,37,38,43)/t20
    -,21-,22-,23-,24-,25+/m0/
    s1;
    BSSSIUKIEUQFQH-QXMOZHRRSA-N    		 CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3
    (CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)NC(CC4CC
    NC4=O)C#N)C; CC(C)(C)[C@H](NC(=O)NC1(CCC
    CC1)C[S](=O)(=O)C(C)(C)C)C(=O)N2C[C@H]3[
    C@@H]([C@H]2C(=O)N[C@@H](C[C@@H]4CCNC4=O
    )C#N)C3(C)C; CC1(C)C2C(C(=O)NC(C#N)CC3CC
    NC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)
    C(C)(C)C)CCCCC1)C(C)(C)C; CC(C)(C)[CH](N
    C(=O)NC1(CCCCC1)C[S](=O)(=O)C(C)(C)C)C(=
    O)N2C[CH]3[CH]([CH]2C(=O)N[CH](C[CH]4CCN
    C4=O)C#N)C3(C)C; CC1([C@@H]2[C@H]1[C@H](
    N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC3(CCCCC
    3)CS(=O)(=O)C(C)(C)C)C(=O)N[C@@H](C[C@@H
    ]4CCNC4=O)C#N)C    		 (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    45088
    ZGP
    ZINC000231428374    		 2 C19 H23 N6 O10 P S InChI=1S/C19H23N6O10PS/c1
    -6-8(3-10(26)37)22-16(29)
    7(2)14(6)35-36(31,32)33-4
    -9-12(27)13(28)18(34-9)25
    -5-21-11-15(25)23-19(20)2
    4-17(11)30/h5,9,12-13,18,
    27-28H,3-4H2,1-2H3,(H,22,
    29)(H,26,37)(H,31,32)(H3,
    20,23,24,30)/t9-,12-,13-,
    18-/m1/s1;
    JZNXQNYXQOKUIF-ACDAHVMNSA-N    		 Cc1c(nc(c(c1OP(=O)(O)OC[C@@H]2[C@H]([C@H
    ]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)
    CC(=O)S; Cc1c(nc(c(c1OP(=O)(O)OCC2C(C(C(
    O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)S;
    Cc1c(O)nc(CC(S)=O)c(C)c1O[P](O)(=O)OC[C@
    H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC
    (=Nc34)N; O=C(S)Cc4nc(O)c(c(OP(=O)(O)OCC
    3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O)c4C)C; C
    c1c(O)nc(CC(S)=O)c(C)c1O[P](O)(=O)OC[CH]
    2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34
    )N    		 5'-O-[(R)-hydroxy{[2-hydroxy-3,5-dimethyl-6-(2-oxo-2-sulfanylethyl)pyridin-4-yl]oxy}phosphoryl]guanosine
    45089
    ZGQ
    ZINC000020238697    		 1 C10 H13 N O InChI=1S/C10H13NO/c1-8-5-
    3-4-6-10(8)7-11-9(2)12/h3
    -6H,7H2,1-2H3,(H,11,12);
    IEDUYFDGPFWNLZ-UHFFFAOYSA-N    		 CC(=O)NCc1ccccc1C; Cc1ccccc1CNC(=O)C N-[(2-methylphenyl)methyl]acetamide
    45090
    ZGR
    ZINC000060196162    		 10 C18 H24 O6 InChI=1S/C18H24O6/c1-12(1
    9)6-5-9-14(20)8-4-2-3-7-1
    3-10-15(21)11-16(22)17(13
    )18(23)24/h3,7,10-12,19,2
    1-22H,2,4-6,8-9H2,1H3,(H,
    23,24)/b7-3+/t12-/m0/s1;
    KZABMNZGZHPCFB-QBODLPLBSA-N    		 CC(CCCC(=O)CCCC=Cc1cc(cc(c1C(=O)O)O)O)O;
    C[C@@H](CCCC(=O)CCC/C=C/c1cc(cc(c1C(=O)
    O)O)O)O; C[C@H](O)CCCC(=O)CCC\C=C\c1cc(O
    )cc(O)c1C(O)=O; c1(C(=O)O)c(O)cc(cc1\C=C
    \CCCC(=O)CCCC(C)O)O; C[CH](O)CCCC(=O)CCC
    C=Cc1cc(O)cc(O)c1C(O)=O    		 2,4-dihydroxy-6-[(1E,10S)-10-hydroxy-6-oxoundec-1-en-1-yl]benzoic acid
    45091
    ZGS
    ZINC000032822197    		 8 C26 H49 N O7 P InChI=1S/C26H48NO7P/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-17-18-19-20-26(29)32-
    23-25(28)24-34-35(30,31)3
    3-22-21-27(2,3)4/h6-7,9-1
    0,12-13,25,28H,5,8,11,14-
    24H2,1-4H3/p+1/b7-6-,10-9
    -,13-12-/t25-/m1/s1;
    WKQNRCYKYCKESD-YVHLTTHBSA-O    		 C[N+](C)(C)CCOP(O)(=O)OCC(O)COC(=O)CCCCC
    CC/C=C\C/C=C\C/C=C\CC; CCC=CCC=CCC=CCCCC
    CCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O;
    CCC=CCC=CCC=CCCCCCCCC(=O)OC[CH](O)CO[P](
    O)(=O)OCC[N+](C)(C)C; CC/C=C\C/C=C\C/C=C
    \CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C
    )(C)C)O; CC\C=C/C/C=C\C\C=C/CCCCCCCC(=O)
    OC[C@@H](O)CO[P](O)(=O)OCC[N+](C)(C)C    		 [(2~{R})-2-oxidanyl-3-[oxidanyl-[2-(trimethyl-$l^{4}-azanyl)ethoxy]phosphoryl]oxy-propyl] (9~{Z},12~{Z},15~{Z})-octadeca-9,12,15-trienoate;
    LysoPC(18:3(9Z,12Z,15Z))
    45092
    ZGU
    ZINC000058638968    		 0 C8 H12 N5 O6 P InChI=1S/C8H12N5O6P/c9-8-
    11-6-5(7(15)12-8)10-3-13(
    6)1-4(14)2-19-20(16,17)18
    /h3-4,14H,1-2H2,(H2,16,17
    ,18)(H3,9,11,12,15)/t4-/m
    0/s1;
    RFPODYUIIQSFDZ-BYPYZUCNSA-N    		 O=P(O)(O)OCC(O)Cn1c2N=C(NC(=O)c2nc1)N; c
    1nc2c(n1CC(COP(=O)(O)O)O)N=C(NC2=O)N; c1
    nc2c(n1C[C@@H](COP(=O)(O)O)O)N=C(NC2=O)N
    ; NC1=Nc2n(C[CH](O)CO[P](O)(O)=O)cnc2C(=
    O)N1; NC1=Nc2n(C[C@H](O)CO[P](O)(O)=O)cn
    c2C(=O)N1    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-GUANINE
    45093
    ZGV    		 28 C18 H22 N2 O5 InChI=1S/C18H22N2O5/c1-3-
    15(21)6-4-5-13(2)7-9-16(2
    2)19-17(23)10-8-14-11-12-
    20(14)18(24)25/h4-11,15,2
    1H,3,12H2,1-2H3,(H,24,25)
    (H,19,22,23)/b6-4+,9-7+,1
    0-8+,13-5+/t15-/m0/s1;
    SEMHODIMVPKJPJ-ATTYUXRXSA-N    		 CC[C@@H](/C=C/C=C(\C)/C=C/C(=O)NC(=O)/C=
    C/C1=CCN1C(=O)O)O; CC[CH](O)C=CC=C(C)C=C
    C(=O)NC(=O)C=CC1=CCN1C(O)=O; OC(=O)N1CC=
    C1/C=C/C(=O)NC(=O)/C=CC(\C)=C\C=C\C(O)CC
    ; CC[C@H](O)\C=C\C=C(C)\C=C\C(=O)NC(=O)\
    C=C\C1=CCN1C(O)=O; CCC(C=CC=C(C)C=CC(=O)
    NC(=O)C=CC1=CCN1C(=O)O)O    		 4-[(1E)-3-{[(2E,4E,6E,8S)-8-hydroxy-4-methyldeca-2,4,6-trienoyl]amino}-3-oxoprop-1-en-1-yl]azete-1(2H)-carboxylic acid
    45094
    ZGW
    CHEMBL4802135
    DB16691    		 1 C23 H32 F3 N5 O4 InChI=1S/C23H32F3N5O4/c1-
    21(2,3)16(30-20(35)23(24,
    25)26)19(34)31-10-13-14(2
    2(13,4)5)15(31)18(33)29-1
    2(9-27)8-11-6-7-28-17(11)
    32/h11-16H,6-8,10H2,1-5H3
    ,(H,28,32)(H,29,33)(H,30,
    35)/t11-,12-,13-,14-,15-,
    16+/m0/s1;
    LIENCHBZNNMNKG-OJFNHCPVSA-N    		 CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)C(F
    )(F)F)C(=O)NC(CC3CCNC3=O)C#N)C; CC1([C@@
    H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)
    NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@@H]3CCNC
    3=O)C#N)C; CC(C)(C)[CH](NC(=O)C(F)(F)F)C
    (=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3C
    CNC3=O)C#N)C2(C)C; CC(C)(C)[C@H](NC(=O)C
    (F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)
    N[C@@H](C[C@@H]3CCNC3=O)C#N)C2(C)C; CC1(
    C)C2C(C(=O)NC(C#N)CC3CCNC3=O)N(CC21)C(=O
    )C(NC(=O)C(F)(F)F)C(C)(C)C    		 Nirmatrelvir;
    (1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    45095
    ZGX    		 1 C6 H10 N2 O InChI=1S/C6H10N2O/c1-6(9)
    8-4-2-7-3-5-8/h2,4,7H,3,5
    H2,1H3;
    GYAZTMNAHJBEMX-UHFFFAOYSA-N    		 CC(=O)N1CCNC=C1; CC(=O)N1C=CNCC1 1-(3,4-dihydropyrazin-1(2H)-yl)ethan-1-one
    45096
    ZGY    		 2 C19 H15 Br F N7 O3 S InChI=1S/C19H15BrFN7O3S/c
    20-13-10-24-19(26-11-4-6-
    12(7-5-11)32(30,31)25-9-8
    -22)28-18(13)27-15-3-1-2-
    14(21)16(15)17(23)29/h1-7
    ,10,25H,9H2,(H2,23,29)(H2
    ,24,26,27,28);
    JFPLXLDERUBJPU-UHFFFAOYSA-N    		 c1cc(c(c(c1)F)C(=O)N)Nc2c(cnc(n2)Nc3ccc(
    cc3)S(=O)(=O)NCC#N)Br; NC(=O)c1c(F)cccc1
    Nc2nc(Nc3ccc(cc3)[S](=O)(=O)NCC#N)ncc2Br
    ; NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(cc2)S(=O
    )(=O)NCC#N)ncc1Br    		 2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide
    45097
    ZH0
    CHEMBL4850298
    ZINC000072178592    		 1 C21 H29 N3 O5 InChI=1S/C21H29N3O5/c1-14
    (2)10-18(24-21(28)29-13-1
    5-6-4-3-5-7-15)20(27)23-1
    7(12-25)11-16-8-9-22-19(1
    6)26/h3-7,12,14,16-18H,8-
    11,13H2,1-2H3,(H,22,26)(H
    ,23,27)(H,24,28)/t16-,17-
    ,18-/m0/s1;
    QYENXTYKACLCGO-BZSNNMDCSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C=O)NC(=O)OCc
    2ccccc2; CC(C)CC(NC(=O)OCc1ccccc1)C(=O)N
    C(CC1CCNC1=O)C=O; CC(C)C[CH](NC(=O)OCc1c
    cccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O; CC(C
    )C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)C=
    O)NC(=O)OCc2ccccc2; CC(C)C[C@H](NC(=O)OC
    c1ccccc1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C=
    O    		 N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
    45098
    ZH1
    CHEMBL1171277
    ZINC000064321342    		 5 C20 H22 O8 InChI=1S/C20H22O8/c1-26-1
    9(25)13-4-2-3-12(9-13)11-
    5-7-14(8-6-11)27-20-18(24
    )17(23)16(22)15(10-21)28-
    20/h2-9,15-18,20-24H,10H2
    ,1H3/t15-,16-,17+,18+,20+
    /m1/s1;
    GDSLRMGPZWIAEZ-JGLNRKDHSA-N    		 COC(=O)c1cccc(c1)c2ccc(cc2)OC3C(C(C(C(O3
    )CO)O)O)O; COC(=O)c1cccc(c1)c2ccc(O[CH]3
    O[CH](CO)[CH](O)[CH](O)[CH]3O)cc2; COC(=
    O)c1cccc(c1)c2ccc(cc2)O[C@@H]3[C@H]([C@H
    ]([C@@H]([C@H](O3)CO)O)O)O; COC(=O)c1ccc
    c(c1)c2ccc(O[C@H]3O[C@H](CO)[C@@H](O)[C@
    H](O)[C@@H]3O)cc2; O=C(OC)c1cccc(c1)c3cc
    c(OC2OC(C(O)C(O)C2O)CO)cc3    		 methyl 4'-(alpha-D-mannopyranosyloxy)biphenyl-3-carboxylate
    45099
    ZH2
    CHEMBL1643369
    ZINC000066112219    		 3 C21 H19 N3 O4 InChI=1S/C21H19N3O4/c1-14
    (25)19(21(27)24-28)23-20(
    26)17-10-6-15(7-11-17)4-2
    -3-5-16-8-12-18(22)13-9-1
    6/h6-14,19,25,28H,22H2,1H
    3,(H,23,26)(H,24,27)/t14-
    ,19+/m1/s1;
    SNVYDNOGPYZQEV-KUHUBIRLSA-N    		 C[CH](O)[CH](NC(=O)c1ccc(cc1)C#CC#Cc2ccc
    (N)cc2)C(=O)NO; C[C@H]([C@@H](C(=O)NO)NC
    (=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O; C[C@@
    H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2ccc(N
    )cc2)C(=O)NO; c2c(C(NC(C(O)C)C(=O)NO)=O)
    ccc(C#CC#Cc1ccc(cc1)N)c2; CC(C(C(=O)NO)N
    C(=O)c1ccc(cc1)C#CC#Cc2ccc(cc2)N)O    		 4-[4-(4-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-(hydroxyamino)-1-oxobutan-2-yl]benzamide
    45100
    ZH3    		 0 H3 O3 Zn InChI=1/3H2O.Zn/h3*1H2;/q
    ;;;+2/p-3/f3HO.Zn/h3*1h;/
    q3*-1;m/rH3O3Zn/c1-4(2)3/
    h1-3H/q-1;
    FTXMHASAYZWVCS-DEYPKKNDCF    		 O[Zn-](O)O ZINC TRIHYDROXIDE
    45101
    ZH4
    ZINC000064746719    		 1 C21 H17 N3 O4 InChI=1S/C21H17N3O4/c1-14
    (25)19(21(27)24-28)23-20(
    26)17-11-9-15(10-12-17)5-
    2-3-6-16-7-4-8-18(22)13-1
    6/h4,7-14,19,25H,22H2,1H3
    ,(H,23,26)/t14-,19+/m1/s1;
    HOPLGMFTTVLMDZ-KUHUBIRLSA-N    		 C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#CC#Cc2
    cccc(N)c2)C(=O)N=O; C[CH](O)[CH](NC(=O)c
    1ccc(cc1)C#CC#Cc2cccc(N)c2)C(=O)N=O; C[C
    @H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C#CC
    #Cc2cccc(c2)N)O; CC(C(C(=O)N=O)NC(=O)c1c
    cc(cc1)C#CC#Cc2cccc(c2)N)O; O=NC(=O)C(NC
    (=O)c2ccc(C#CC#Cc1cc(N)ccc1)cc2)C(O)C    		 4-[4-(3-aminophenyl)buta-1,3-diyn-1-yl]-N-[(2S,3R)-3-hydroxy-1-nitroso-1-oxobutan-2-yl]benzamide
    45102
    ZH5    		 2 C17 H19 Cl N6 S InChI=1S/C17H19ClN6S/c1-1
    7(19)6-8-24(9-7-17)13-10-
    20-14-15(21-13)22-23-16(1
    4)25-12-5-3-2-4-11(12)18/
    h2-5,10H,6-9,19H2,1H3,(H,
    21,22,23);
    UVMSWNKXHCSARG-UHFFFAOYSA-N    		 CC1(N)CCN(CC1)c2cnc3c([nH]nc3Sc4ccccc4Cl
    )n2; CC1(N)CCN(CC1)c1nc2[NH]nc(Sc3ccccc3
    Cl)c2nc1; CC1(CCN(CC1)c2cnc3c(n2)[nH]nc3
    Sc4ccccc4Cl)N    		 1-{3-[(2-chlorophenyl)sulfanyl]-1H-pyrazolo[3,4-b]pyrazin-6-yl}-4-methylpiperidin-4-amine
    45103
    ZH7
    CHEMBL4096158    		 3 C58 H96 O21 InChI=1S/C58H96O21/c1-29-
    17-16-18-40(59)43(69-13)2
    5-45(76-55(65)33(5)23-31(
    3)21-30(2)22-32(4)41(20-1
    9-29)77-56-51(63)50(62)52
    (71-15)37(9)74-56)53(64)5
    8(67)35(7)48(60)34(6)42(7
    9-58)24-39(28-68-12)75-47
    -27-57(11,66)54(38(10)73-
    47)78-46-26-44(70-14)49(6
    1)36(8)72-46/h17,19-23,32
    ,34-54,56,59-64,66-67H,16
    ,18,24-28H2,1-15H3/b20-19
    +,29-17+,30-22+,31-21+,33
    -23+/t32-,34+,35-,36-,37+
    ,38+,39-,40+,41-,42-,43+,
    44-,45+,46+,47+,48+,49-,5
    0+,51+,52+,53-,54+,56+,57
    +,58-/m1/s1;
    WILMROCKORZEMQ-AIUMZUNXSA-N    		 CC1C=C(C=C(C=C(C(=O)OC(CC(C(CCC=C(C=CC1O
    C2C(C(C(C(O2)C)OC)O)O)C)O)OC)C(C3(C(C(C(
    C(O3)CC(COC)OC4CC(C(C(O4)C)OC5CC(C(C(O5)
    C)O)OC)(C)O)C)O)C)O)O)C)C)C; COC[C@@H](C
    [C@H]1O[C@](O)([C@H](C)[C@@H](O)[C@H]1C)
    [C@H](O)[C@@H]2C[C@H](OC)[C@@H](O)CC/C=C
    (C)/C=C/[C@@H](O[C@@H]3O[C@@H](C)[C@H](O
    C)[C@@H](O)[C@@H]3O)[C@H](C)\C=C(C)\C=C(
    C)\C=C(/C)C(=O)O2)O[C@H]4C[C@](C)(O)[C@@
    H](O[C@H]5C[C@@H](OC)[C@H](O)[C@@H](C)O5
    )[C@H](C)O4; OC(C1CC(OC)C(O)CCC=C(C)C=CC
    (OC2OC(C)C(OC)C(O)C2O)C(C)C=C(C)C=C(C)C=
    C(C)C(=O)O1)C1(O)OC(CC(COC)OC2CC(C)(O)C(
    OC3CC(OC)C(O)C(C)O3)C(C)O2)C(C)C(O)C1C;
    COC[CH](C[CH]1O[C](O)([CH](C)[CH](O)[CH]
    1C)[CH](O)[CH]2C[CH](OC)[CH](O)CCC=C(C)C
    =C[CH](O[CH]3O[CH](C)[CH](OC)[CH](O)[CH]
    3O)[CH](C)C=C(C)C=C(C)C=C(C)C(=O)O2)O[CH
    ]4C[C](C)(O)[CH](O[CH]5C[CH](OC)[CH](O)[
    CH](C)O5)[CH](C)O4; C[C@@H]1/C=C(/C=C(/C
    =C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C
    =C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H
    ](O2)C)OC)O)O)\C)O)OC)[C@H]([C@]3([C@@H]
    ([C@H]([C@H]([C@H](O3)C[C@H](COC)O[C@H]4
    C[C@]([C@H]([C@@H](O4)C)O[C@H]5C[C@H]([C
    @@H]([C@H](O5)C)O)OC)(C)O)C)O)C)O)O)\C)\
    C)\C    		 (3~{E},5~{E},7~{E},9~{R},10~{R},11~{E},13~{E},17~{S},18~{S},20~{S})-18-methoxy-20-[(~{R})-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(2~{R})-3-methoxy-2-[(2~{R},4~{S},5~{S},6~{S})-5-[(2~{S},4~{R},5~{R},6~{R})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one;
    Apoptolidin A
    45104
    ZH8    		 1 C17 H22 N3 O7 InChI=1S/C17H21N3O7/c1-9(
    22)18-14-16(25)15(24)11(7
    -21)27-17(14)26-8-10-6-13
    (23)20-5-3-2-4-12(20)19-1
    0/h2-5,11,14-17,21,24-25H
    ,6-8H2,1H3/p+1/t11-,14-,1
    5-,16-,17-/m1/s1;
    IMUQPAHFXRVTMB-JSPVNYKOSA-O    		 CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO
    )O[C@H]1OCC2=Nc3cccc[n+]3C(=O)C2; CC(=O)
    NC1C(O)C(O)C(CO)OC1OCC=1CC(=O)[n+]2ccccc
    2N=1; CC(=O)NC1C(C(C(OC1OCC2=Nc3cccc[n+]
    3C(=O)C2)CO)O)O; CC(=O)N[C@@H]1[C@H]([C@
    @H]([C@H](O[C@H]1OCC2=Nc3cccc[n+]3C(=O)C
    2)CO)O)O; CC(=O)N[CH]1[CH](O)[CH](O)[CH]
    (CO)O[CH]1OCC2=Nc3cccc[n+]3C(=O)C2    		 ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-2-[(4-oxidanylidene-3~{H}-pyrido[1,2-a]pyrimidin-2-yl)methoxy]oxan-3-yl]ethanamide
    45105
    ZHA
    CHEMBL1568712
    ZINC000004271927    		 5 C12 H13 N O2 InChI=1S/C12H13NO2/c1-8(1
    4)13-10-5-6-11-9(7-10)3-2
    -4-12(11)15/h5-7H,2-4H2,1
    H3,(H,13,14);
    WEBCZGJWXXPNHB-UHFFFAOYSA-N    		 CC(=O)Nc1ccc2c(c1)CCCC2=O; CC(=O)Nc1ccc2
    C(=O)CCCc2c1    		 ~{N}-(5-oxidanylidene-7,8-dihydro-6~{H}-naphthalen-2-yl)ethanamide
    45106
    ZHB
    CHEMBL372840
    ZINC000004025170    		 8 C18 H24 O5 InChI=1S/C18H24O5/c1-12-6
    -5-9-14(19)8-4-2-3-7-13-1
    0-15(20)11-16(21)17(13)18
    (22)23-12/h3,7,10-12,14,1
    9-21H,2,4-6,8-9H2,1H3/b7-
    3+/t12-,14-/m0/s1;
    FPQFYIAXQDXNOR-PMRAARRBSA-N    		 C[CH]1CCC[CH](O)CCCC=Cc2cc(O)cc(O)c2C(=O
    )O1; CC1CCCC(CCCC=Cc2cc(cc(c2C(=O)O1)O)O
    )O; C[C@H]1CCC[C@@H](O)CCC/C=C/c2cc(O)cc
    (O)c2C(=O)O1; C1C(CCCC=Cc2c(C(OC(CC1)C)=
    O)c(cc(O)c2)O)O; C[C@H]1CCC[C@H](CCC/C=C
    /c2cc(cc(c2C(=O)O1)O)O)O    		 (3S,7S,11E)-7,14,16-trihydroxy-3-methyl-3,4,5,6,7,8,9,10-octahydro-1H-2-benzoxacyclotetradecin-1-one
    45107
    ZHD    		 2 C59 H96 O22 InChI=1S/C59H96O22/c1-29-
    20-30(2)24-40(60)43(72-15
    )27-42(77-55(67)34(6)25-3
    9(71-14)23-31(3)22-33(5)5
    0(32(4)21-29)79-56-49(64)
    48(63)47(62)36(8)76-56)35
    (7)59(69)54(73-16)53(66)5
    8(12,44(80-59)18-17-19-70
    -13)81-45-26-41(61)51(37(
    9)74-45)78-46-28-57(11,68
    )52(65)38(10)75-46/h20-25
    ,33,35-38,40-54,56,60-66,
    68-69H,17-19,26-28H2,1-16
    H3/b29-20+,30-24+,31-22+,
    32-21+,34-25+,39-23-/t33-
    ,35-,36+,37-,38-,40-,41+,
    42+,43+,44-,45+,46+,47+,4
    8-,49+,50-,51-,52-,53-,54
    -,56+,57-,58-,59+/m1/s1;
    QVIWDCUKIZPUBD-RSDTUZBPSA-N    		 CC1C=C(C=C(C=C(C(=O)OC(CC(C(C=C(C=C(C=C(
    C1OC2C(C(C(C(O2)C)O)O)O)C)C)C)O)OC)C(C)C
    3(C(C(C(C(O3)CCCOC)(C)OC4CC(C(C(O4)C)OC5
    CC(C(C(O5)C)O)(C)O)O)O)OC)O)C)OC)C; C[C@
    @H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]
    ([C@@H](/C=C(/C=C(/C=C(/[C@H]1O[C@H]2[C@
    H]([C@@H]([C@H]([C@@H](O2)C)O)O)O)\C)\C)
    \C)O)OC)[C@@H](C)[C@]3([C@@H]([C@H]([C@]
    ([C@H](O3)CCCOC)(C)O[C@H]4C[C@@H]([C@@H]
    ([C@H](O4)C)O[C@H]5C[C@@]([C@@H]([C@H](O
    5)C)O)(C)O)O)O)OC)O)\C)\OC)\C; COCCC[C@H
    ]1O[C@@](O)([C@H](C)[C@@H]2C[C@H](OC)[C@
    H](O)/C=C(C)/C=C(C)/C=C(\C)[C@@H](O[C@@H
    ]3O[C@@H](C)[C@H](O)[C@@H](O)[C@@H]3O)[C
    @H](C)\C=C(C)\C=C(OC)\C=C(/C)C(=O)O2)[C@
    H](OC)[C@@H](O)[C@]1(C)O[C@H]4C[C@H](O)[
    C@H](O[C@H]5C[C@@](C)(O)[C@H](O)[C@@H](C
    )O5)[C@@H](C)O4; COCCC[CH]1O[C](O)([CH](
    C)[CH]2C[CH](OC)[CH](O)C=C(C)C=C(C)C=C(C
    )[CH](O[CH]3O[CH](C)[CH](O)[CH](O)[CH]3O
    )[CH](C)C=C(C)C=C(OC)C=C(C)C(=O)O2)[CH](
    OC)[CH](O)[C]1(C)O[CH]4C[CH](O)[CH](O[CH
    ]5C[C](C)(O)[CH](O)[CH](C)O5)[CH](C)O4;
    CC1(O)CC(OC(C)C1O)OC1C(O)CC(OC1C)OC1(C)C
    (CCCOC)OC(O)(C(C)C2CC(OC)C(O)C=C(C)C=C(C
    )C=C(C)C(OC3OC(C)C(O)C(O)C3O)C(C)C=C(C)C
    =C(OC)C=C(C)C(=O)O2)C(OC)C1O    		 (3~{E},5~{Z},7~{E},9~{R},10~{S},11~{E},13~{E},15~{E},17~{R},18~{S},20~{S})-20-[(1~{R})-1-[(2~{S},3~{R},4~{R},5~{S},6~{R})-5-[(2~{S},4~{S},5~{S},6~{R})-5-[(2~{S},4~{R},5~{R},6~{R})-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-4-oxidanyl-oxan-2-yl]oxy-3-methoxy-6-(3-methoxypropyl)-5-methyl-2,4-bis(oxidanyl)oxan-2-yl]ethyl]-5,18-dimethoxy-3,7,9,11,13,15-hexamethyl-10-[(2~{R},3~{S},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13,15-hexaen-2-one;
    Ammocidin A
    45108
    ZHE    		 1 C15 H27 N O6 InChI=1S/C15H27NO6/c1-9(1
    8)16-12-14(20)13(19)11(7-
    17)22-15(12)21-8-10-5-3-2
    -4-6-10/h10-15,17,19-20H,
    2-8H2,1H3,(H,16,18)/t11-,
    12-,13-,14-,15-/m1/s1;
    ZYHQMRNILDNVCD-KJWHEZOQSA-N    		 CC(=O)NC1C(C(C(OC1OCC2CCCCC2)CO)O)O; CC(
    =O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1OCC
    2CCCCC2; CC(=O)N[C@@H]1[C@H]([C@@H]([C@H
    ](O[C@H]1OCC2CCCCC2)CO)O)O; CC(=O)N[C@@H
    ]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC2
    CCCCC2; CC(=O)NC1C(O)C(O)C(CO)OC1OCC1CCC
    CC1    		 cyclohexylmethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
    45109
    ZHF    		 2 C23 H26 N4 O2 S InChI=1S/C23H26N4O2S/c1-2
    -4-20(23(29)27-10-7-21-19
    (15-27)8-12-30-21)25-22(2
    8)18-6-3-5-17(13-18)14-26
    -11-9-24-16-26/h3,5-6,8-9
    ,11-13,16,20H,2,4,7,10,14
    -15H2,1H3,(H,25,28)/t20-/
    m0/s1;
    DUKKJDZKLSMCLK-FQEVSTJZSA-N    		 CCCC(C(=O)N1CCc2c(ccs2)C1)NC(=O)c3cccc(c
    3)Cn4ccnc4; CCC[C@H](NC(=O)c1cccc(Cn2ccn
    c2)c1)C(=O)N3CCc4sccc4C3; CCC[CH](NC(=O)
    c1cccc(Cn2ccnc2)c1)C(=O)N3CCc4sccc4C3; C
    CC[C@@H](C(=O)N1CCc2c(ccs2)C1)NC(=O)c3cc
    cc(c3)Cn4ccnc4; CCCC(NC(=O)c1cccc(Cn2ccn
    c2)c1)C(=O)N1CCc2sccc2C1    		 N-[(2S)-1-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-1-oxopentan-2-yl]-3-[(1H-imidazol-1-yl)methyl]benzamide
    45110
    ZHG    		 2 C10 H14 O5 InChI=1S/C10H14O5/c1-4(11
    )8-6(13)3-7(14)9(5(2)12)1
    0(8)15/h3-5,11-15H,1-2H3/
    t4-,5-/m1/s1;
    HTMUMTIHRQAXFS-RFZPGFLSSA-N    		 C[CH](O)c1c(O)cc(O)c([CH](C)O)c1O; CC(c1
    c(cc(c(c1O)C(C)O)O)O)O; C[C@H](c1c(cc(c(
    c1O)[C@@H](C)O)O)O)O; C[C@@H](O)c1c(O)cc
    (O)c([C@@H](C)O)c1O    		 2,4-bis[(1R)-1-oxidanylethyl]benzene-1,3,5-triol
    45111
    ZHH
    CHEMBL101036
    ZINC000000391188    		 2 C9 H13 N O InChI=1S/C9H13NO/c1-11-9-
    4-2-8(3-5-9)6-7-10/h2-5H,
    6-7,10H2,1H3;
    LTPVSOCPYWDIFU-UHFFFAOYSA-N    		 COc1ccc(CCN)cc1; O(c1ccc(cc1)CCN)C; COc1
    ccc(cc1)CCN    		 2-(4-METHOXYPHENYL)ETHANAMINE
    45112
    ZHJ    		 1 C20 H19 N3 O5 InChI=1S/C20H19N3O5/c1-28
    -15-11-12(7-8-14(15)24)9-
    10-21-19(26)16-17(25)20(2
    7)23-18(22-16)13-5-3-2-4-
    6-13/h2-8,11,24-25H,9-10H
    2,1H3,(H,21,26)(H,22,23,2
    7);
    SMGLFQZBAVAYPQ-UHFFFAOYSA-N    		 OC1=C(N=C(NC1=O)c1ccccc1)C(=O)NCCc1ccc(O
    )c(OC)c1; COc1cc(CCNC(=O)C2=C(O)C(=O)NC(
    =N2)c3ccccc3)ccc1O; COc1cc(ccc1O)CCNC(=O
    )C2=C(C(=O)NC(=N2)c3ccccc3)O    		 5-hydroxy-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]-6-oxo-2-phenyl-1,6-dihydropyrimidine-4-carboxamide
    45113
    ZHK
    ZINC000096269986    		 3 C20 H15 Cl2 N5 O4 S2 InChI=1S/C20H15Cl2N5O4S2/
    c1-10(18(28)25-12-3-5-13(
    6-4-12)33(24,30)31)32-20-
    26-17(14(9-23)19(29)27-20
    )11-2-7-15(21)16(22)8-11/
    h2-8,10H,1H3,(H,25,28)(H2
    ,24,30,31)(H,26,27,29)/t1
    0-/m1/s1;
    YDJOCTZRWDYNJT-SNVBAGLBSA-N    		 CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(
    C(=O)N2)C#N)c3ccc(c(c3)Cl)Cl; C[C@@H](SC
    1=NC(=C(C#N)C(=O)N1)c2ccc(Cl)c(Cl)c2)C(=
    O)Nc3ccc(cc3)[S](N)(=O)=O; N#CC2=C(N=C(S
    C(C(=O)Nc1ccc(cc1)S(=O)(=O)N)C)NC2=O)c3c
    cc(Cl)c(Cl)c3; C[C@H](C(=O)Nc1ccc(cc1)S(
    =O)(=O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(c(c
    3)Cl)Cl; C[CH](SC1=NC(=C(C#N)C(=O)N1)c2c
    cc(Cl)c(Cl)c2)C(=O)Nc3ccc(cc3)[S](N)(=O)
    =O    		 (2R)-2-{[5-cyano-4-(3,4-dichlorophenyl)-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide
    45114
    ZHL    		 1 C16 H23 N O8 InChI=1S/C16H23NO8/c1-5(1
    9)17-10-12(21)11(20)9(4-1
    8)23-16(10)25-13-6-2-7-8(
    3-6)15(22)24-14(7)13/h6-1
    4,16,18,20-21H,2-4H2,1H3,
    (H,17,19)/t6-,7+,8-,9+,10
    +,11+,12+,13-,14-,16-/m0/
    s1;
    AZLZNNDRSGSYAX-NWESXJQGSA-N    		 CC(=O)NC1C(C(C(OC1OC2C3CC4C2OC(=O)C4C3)C
    O)O)O; CC(=O)NC1C(O)C(O)C(CO)OC1OC1C2OC(
    =O)C3CC1CC23; CC(=O)N[CH]1[CH](O)[CH](O)
    [CH](CO)O[CH]1O[CH]2[CH]3C[CH]4[CH](C3)C
    (=O)O[CH]24; CC(=O)N[C@@H]1[C@H]([C@@H](
    [C@H](O[C@H]1O[C@H]2[C@H]3C[C@H]4[C@@H]2
    OC(=O)[C@H]4C3)CO)O)O; CC(=O)N[C@@H]1[C@
    @H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2[C
    @H]3C[C@@H]4[C@H](C3)C(=O)O[C@H]24    		 (3S,3aR,5S,6S,6aS)-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-6-yl 2-acetamido-2-deoxy-beta-D-glucopyranoside
    45115
    ZHM
    CHEMBL5094520    		 1 C19 H19 Br2 N5 O InChI=1S/C19H19Br2N5O/c1-
    12-19(26(25-24-12)14-7-9-
    22-10-8-14)16-3-2-4-18(23
    -16)27-17-11-13(20)5-6-15
    (17)21/h2-6,11,14,22H,7-1
    0H2,1H3;
    ONGSSQIENWXPHP-UHFFFAOYSA-N    		 Cc1nnn(C2CCNCC2)c1c3cccc(Oc4cc(Br)ccc4Br
    )n3; Cc1c(n(nn1)C2CCNCC2)c3cccc(n3)Oc4cc
    (ccc4Br)Br; Brc1cc(Oc2cccc(n2)c2c(C)nnn2
    C2CCNCC2)c(Br)cc1    		 2-(2,5-dibromophenoxy)-6-[4-methyl-1-(piperidin-4-yl)-1H-1,2,3-triazol-5-yl]pyridine
    45116
    ZHN
    CHEMBL5278029
    ZINC000101371617    		 1 C22 H34 O5 InChI=1S/C22H34O5/c1-3-5-
    7-8-9-10-12-19(24)22-17(1
    4-18(23)16-20(22)25)15-21
    (26)27-13-11-6-4-2/h14,16
    ,23,25H,3-13,15H2,1-2H3;
    FCKDHZVFIMRCNM-UHFFFAOYSA-N    		 CCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCCCC;
    CCCCCCCCC(=O)c1c(cc(cc1O)O)CC(=O)OCCCCC
    ; O=C(c1c(cc(O)cc1O)CC(=O)OCCCCC)CCCCCCC
    C    		 pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
    45117
    ZHO
    CHEMBL3919831    		 1 C26 H29 N9 InChI=1S/C26H29N9/c1-18-3
    0-31-26-24(27-2)28-22(17-
    34(18)26)25-29-21-10-9-20
    (33-13-11-32(3)12-14-33)1
    5-23(21)35(25)16-19-7-5-4
    -6-8-19/h4-10,15,17H,11-1
    4,16H2,1-3H3,(H,27,28);
    JLUUVUUYIXBDCG-UHFFFAOYSA-N    		 Cc1nnc2n1cc(nc2NC)c3nc4ccc(cc4n3Cc5ccccc
    5)N6CCN(CC6)C; CNc1nc(cn2c(C)nnc12)c3nc4
    ccc(cc4n3Cc5ccccc5)N6CCN(C)CC6    		 ~{N},3-dimethyl-6-[6-(4-methylpiperazin-1-yl)-1-(phenylmethyl)benzimidazol-2-yl]-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
    45118
    ZHP
    ZINC000058638969    		 0 C9 H14 N O7 P InChI=1S/C9H14NO7P/c1-6-9
    (13)8(12)2-3-10(6)4-7(11)
    5-17-18(14,15)16/h2-3,7,1
    1,13H,4-5H2,1H3,(H2,14,15
    ,16)/t7-/m0/s1;
    ZGKIDEITKNGVFV-ZETCQYMHSA-N    		 CC1=C(C(=O)C=CN1C[C@@H](COP(=O)(O)O)O)O;
    CC1=C(C(=O)C=CN1CC(COP(=O)(O)O)O)O; O=P
    (O)(O)OCC(O)CN1C(=C(O)C(=O)C=C1)C; CC1=C
    (O)C(=O)C=CN1C[C@H](O)CO[P](O)(O)=O; CC1
    =C(O)C(=O)C=CN1C[CH](O)CO[P](O)(O)=O    		 (S)-1'-(2',3'-DIHYDROXYPROPYL)-HYDROXYPYRIDONE
    45119
    ZHR    		 1 C18 H23 N O7 InChI=1S/C18H23NO7/c1-10(
    21)19-15-17(23)16(22)14(9
    -20)26-18(15)25-6-4-11-2-
    3-13-12(8-11)5-7-24-13/h2
    -3,5,7-8,14-18,20,22-23H,
    4,6,9H2,1H3,(H,19,21)/t14
    -,15-,16-,17-,18-/m1/s1;
    JHBAVCSLSALDCZ-DUQPFJRNSA-N    		 CC(=O)NC1C(O)C(O)C(CO)OC1OCCc1ccc2occc2c
    1; CC(=O)NC1C(C(C(OC1OCCc2ccc3c(c2)cco3)
    CO)O)O; CC(=O)N[C@@H]1[C@H]([C@@H]([C@H]
    (O[C@H]1OCCc2ccc3c(c2)cco3)CO)O)O; CC(=O
    )N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@
    H]1OCCc2ccc3occc3c2; CC(=O)N[CH]1[CH](O)
    [CH](O)[CH](CO)O[CH]1OCCc2ccc3occc3c2    		 2-(1-benzofuran-5-yl)ethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
    45120
    ZHS
    CHEMBL5083660    		 1 C25 H34 N6 O InChI=1S/C25H34N6O/c1-18-
    15-19(2)17-22(16-18)32-24
    -8-6-7-23(26-24)25-20(3)2
    7-28-31(25)21-9-11-30(12-
    10-21)14-13-29(4)5/h6-8,1
    5-17,21H,9-14H2,1-5H3;
    PIKWYDHWUKSWAQ-UHFFFAOYSA-N    		 CN(C)CCN1CCC(CC1)n2nnc(C)c2c3cccc(Oc4cc(
    C)cc(C)c4)n3; Cc1cc(cc(C)c1)Oc1cccc(n1)c
    1c(C)nnn1C1CCN(CCN(C)C)CC1; Cc1cc(cc(c1)
    Oc2cccc(n2)c3c(nnn3C4CCN(CC4)CCN(C)C)C)C    		 2-(4-{5-[6-(3,5-dimethylphenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine
    45121
    ZHT    		 1 C25 H36 N6 O4 InChI=1S/C25H36N6O4/c1-28
    (2)10-5-11-29-12-14-30(18
    -20-6-3-8-22(26-20)24(32)
    33)16-17-31(15-13-29)19-2
    1-7-4-9-23(27-21)25(34)35
    /h3-4,6-9H,5,10-19H2,1-2H
    3,(H,32,33)(H,34,35);
    PCYMPEWCWVVCFC-UHFFFAOYSA-N    		 CN(C)CCCN1CCN(CCN(CC1)Cc2cccc(n2)C(=O)O)
    Cc3cccc(n3)C(=O)O; CN(C)CCCN1CCN(CCN(CC1
    )Cc2cccc(n2)C(O)=O)Cc3cccc(n3)C(O)=O    		 6-[[4-[(6-carboxypyridin-2-yl)methyl]-7-[3-(dimethylamino)propyl]-1,4,7-triazonan-1-yl]methyl]pyridine-2-carboxylic acid
    45122
    ZHU    		 1 C35 H51 N O5 InChI=1S/C35H51NO5/c1-7-2
    1(3)28(37)17-26-18-29(38)
    23(5)12-10-8-9-11-22(4)27
    -14-13-25-16-20(2)15-24(6
    )31(25)32(27)34(40)33-30(
    39)19-36(26)35(33)41/h7,1
    1,13-14,20,23-27,29,31-32
    ,38-39H,8-10,12,15-19H2,1
    -6H3/b21-7+,22-11+/t20-,2
    3-,24+,25-,26-,27+,29-,31
    +,32+/m0/s1;
    JHMIBJNFMQEKJX-UMHNJBJSSA-N    		 C/C=C(\C)/C(=O)C[C@H]1C[C@@H]([C@H](CCCC
    /C=C(/[C@H]2C=C[C@H]3C[C@H](C[C@H]([C@H]
    3[C@@H]2C(=O)C4=C(CN1C4=O)O)C)C)\C)C)O;
    C\C=C(/C)C(=O)C[C@H]1C[C@H](O)[C@@H](C)C
    CCC\C=C(C)\[C@H]2C=C[C@H]3C[C@@H](C)C[C@
    @H](C)[C@H]3[C@@H]2C(=O)C4=C(O)C[N@]1C4=
    O; CC=C(C)C(=O)C[CH]1C[CH](O)[CH](C)CCCC
    C=C(C)[CH]2C=C[CH]3C[CH](C)C[CH](C)[CH]3
    [CH]2C(=O)C4=C(O)C[N]1C4=O; CC=C(C)C(=O)
    CC1CC(C(CCCCC=C(C2C=CC3CC(CC(C3C2C(=O)C4
    =C(CN1C4=O)O)C)C)C)C)O    		 Alchivemycin A
    45123
    ZHV
    CHEMBL5080584    		 1 C23 H28 Br2 N6 O InChI=1S/C23H28Br2N6O/c1-
    16-23(31(28-27-16)18-9-11
    -30(12-10-18)14-13-29(2)3
    )20-5-4-6-22(26-20)32-21-
    15-17(24)7-8-19(21)25/h4-
    8,15,18H,9-14H2,1-3H3;
    RSOZHLZHAXOEGJ-UHFFFAOYSA-N    		 Cc1c(n(nn1)C2CCN(CC2)CCN(C)C)c3cccc(n3)O
    c4cc(ccc4Br)Br; Brc1cc(Oc2cccc(n2)c2c(C)
    nnn2C2CCN(CCN(C)C)CC2)c(Br)cc1; CN(C)CCN
    1CCC(CC1)n2nnc(C)c2c3cccc(Oc4cc(Br)ccc4B
    r)n3    		 2-(4-{5-[6-(2,5-dibromophenoxy)pyridin-2-yl]-4-methyl-1H-1,2,3-triazol-1-yl}piperidin-1-yl)-N,N-dimethylethan-1-amine
    45124
    ZHW    		 0 C9 H10 F N O3 S InChI=1S/C9H10FNO3S/c10-1
    5(12,13)14-9-3-1-2-6-7(9)
    4-5-8(6)11/h1-3,8H,4-5,11
    H2/t8-/m1/s1;
    RYLHEHRDZCXSQL-MRVPVSSYSA-N    		 FS(=O)(=O)Oc1cccc2c1CCC2N; N[C@@H]1CCc2c
    (O[S](F)(=O)=O)cccc12; N[CH]1CCc2c(O[S](
    F)(=O)=O)cccc12; c1cc2c(c(c1)OS(=O)(=O)F
    )CC[C@H]2N; c1cc2c(c(c1)OS(=O)(=O)F)CCC2
    N    		 (1R)-1-amino-2,3-dihydro-1H-inden-4-yl sulfurofluoridate
    45125
    ZHX    		 4 C16 H21 N3 O2 InChI=1S/C16H21N3O2/c1-11
    (2)10-14(20)17-15-12(3)18
    (4)19(16(15)21)13-8-6-5-7
    -9-13/h5-9,11H,10H2,1-4H3
    ,(H,17,20);
    WBRXDBQUBLYLAD-UHFFFAOYSA-N    		 CC(C)CC(=O)NC1=C(C)N(C)N(C1=O)c2ccccc2;
    CC1=C(C(=O)N(N1C)c2ccccc2)NC(=O)CC(C)C    		 ~{N}-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-methyl-butanamide
    45126
    ZHY
    CHEMBL484307
    ZINC000038267733    		 1 C20 H20 N4 O4 InChI=1S/C20H20N4O4/c1-26
    -16-8-14(9-17(27-2)19(16)
    28-3)23-18-11-22-10-15(24
    -18)12-4-6-13(7-5-12)20(2
    1)25/h4-11H,1-3H3,(H2,21,
    25)(H,23,24);
    LZLKDDDQYGMZTB-UHFFFAOYSA-N    		 COc1cc(cc(c1OC)OC)Nc2cncc(n2)c3ccc(cc3)C
    (=O)N; COc1cc(Nc2cncc(n2)c3ccc(cc3)C(N)=
    O)cc(OC)c1OC; NC(=O)c1ccc(cc1)c1cncc(Nc2
    cc(OC)c(OC)c(OC)c2)n1    		 4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
    45127
    ZHZ
    CHEMBL157604
    DB08767
    ZINC000000156551    		 2 C9 H11 N O2 InChI=1S/C9H11NO2/c1-12-8
    -4-2-7(3-5-8)6-9(10)11/h2
    -5H,6H2,1H3,(H2,10,11);
    OLKQIWCQICCYQS-UHFFFAOYSA-N    		 COc1ccc(cc1)CC(=O)N; O=C(N)Cc1ccc(OC)cc1
    ; COc1ccc(CC(N)=O)cc1    		 2-(4-METHOXYPHENYL)ACETAMIDE
    45128
    ZI1
    ZINC000103234482    		 1 C19 H12 Br F5 N2 O3 InChI=1S/C19H12BrF5N2O3/c
    1-8(29-12-7-6-11(21)13(14
    (12)22)17(26)28)18-27-15(
    16(20)30-18)9-2-4-10(5-3-
    9)19(23,24)25/h2-8H,1H3,(
    H2,26,28)/t8-/m1/s1;
    VMZXYVWYPGADSK-MRVPVSSYSA-N    		 CC(c1nc(c(o1)Br)c2ccc(cc2)C(F)(F)F)Oc3cc
    c(c(c3F)C(=O)N)F; C[C@H](c1nc(c(o1)Br)c2
    ccc(cc2)C(F)(F)F)Oc3ccc(c(c3F)C(=O)N)F;
    C[C@@H](Oc1ccc(F)c(C(N)=O)c1F)c2oc(Br)c(
    n2)c3ccc(cc3)C(F)(F)F; C[CH](Oc1ccc(F)c(
    C(N)=O)c1F)c2oc(Br)c(n2)c3ccc(cc3)C(F)(F
    )F    		 3-[(1R)-1-[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]ethoxy]-2,6-bis(fluoranyl)benzamide
    45129
    ZI2    		 1 C13 H24 N2 O7 InChI=1S/C13H24N2O7/c1-7(
    17)15-11-12(18)10(14)9(4-
    16)22-13(11)21-6-8-5-19-2
    -3-20-8/h8-13,16,18H,2-6,
    14H2,1H3,(H,15,17)/t8-,9+
    ,10+,11+,12-,13+/m0/s1;
    WHUIOPAZXMZGEJ-ZSIRSIGDSA-N    		 CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)N)O; CC(
    =O)N[CH]1[CH](O)[CH](N)[CH](CO)O[CH]1OC[
    CH]2COCCO2; CC(=O)N[C@@H]1[C@@H](O)[C@H]
    (N)[C@@H](CO)O[C@H]1OC[C@@H]2COCCO2; CC(
    =O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[
    C@@H]2COCCO2)CO)N)O; CC(=O)NC1C(O)C(N)C(
    CO)OC1OCC1COCCO1    		 [(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-4-amino-2,4-dideoxy-beta-D-glucopyranoside
    45130
    ZI3    		 3 C22 H23 Cl N2 O3 InChI=1S/C22H23ClN2O3/c1-
    2-20(26)25-12-4-6-17-18(5
    -3-7-19(17)25)21(27)24-22
    (13-28-14-22)15-8-10-16(2
    3)11-9-15/h3,5,7-11H,2,4,
    6,12-14H2,1H3,(H,24,27);
    KBBNTEQRMWVNFG-UHFFFAOYSA-N    		 CCC(=O)N1CCCc2c1cccc2C(=O)NC3(COC3)c4ccc
    (Cl)cc4; CCC(=O)N1CCCc2c1cccc2C(=O)NC3(C
    OC3)c4ccc(cc4)Cl; O=C(NC1(COC1)c1ccc(Cl)
    cc1)c1cccc2N(CCCc21)C(=O)CC    		 N-[3-(4-chlorophenyl)oxetan-3-yl]-1-propanoyl-1,2,3,4-tetrahydroquinoline-5-carboxamide
    45131
    ZI5
    CHEMBL4208628    		 1 C24 H41 N O2 InChI=1S/C24H41NO2/c1-4-5
    -6-12-15-18-22(2)19-16-13
    -10-8-7-9-11-14-17-20-24(
    27)25-23(3)21-26/h8-11,15
    -16,18-19,22-23,26H,4-7,1
    2-14,17,20-21H2,1-3H3,(H,
    25,27)/b10-8-,11-9-,18-15
    -,19-16-/t22-,23+/m0/s1;
    PDGRTYPSRMWVBI-MVYUADCHSA-N    		 CCCCC\C=C/[C@H](C)\C=C/C/C=C\C\C=C/CCCC(
    =O)N[C@H](C)CO; CC(NC(=O)CCC/C=C\C/C=C\C
    \C=C/C(C)/C=C\CCCCC)CO; CCCCC/C=C\[C@H](
    C)/C=C\C/C=C\C/C=C\CCCC(=O)N[C@H](C)CO;
    CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)NC(C)CO;
    CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(=O)N[CH](
    C)CO    		 (5Z,8Z,11Z,13S,14Z)-N-[(2R)-1-hydroxypropan-2-yl]-13-methylicosa-5,8,11,14-tetraenamide
    45132
    ZI6
    CHEMBL3098779
    ZINC000103234461    		 2 C18 H10 Br F5 N2 O3 InChI=1S/C18H10BrF5N2O3/c
    19-16-15(8-1-3-9(4-2-8)18
    (22,23)24)26-12(29-16)7-2
    8-11-6-5-10(20)13(14(11)2
    1)17(25)27/h1-6H,7H2,(H2,
    25,27);
    ONGPJYSSZQHFBU-UHFFFAOYSA-N    		 c1cc(ccc1c2c(oc(n2)COc3ccc(c(c3F)C(=O)N)
    F)Br)C(F)(F)F; NC(=O)c1c(F)ccc(OCc2oc(Br
    )c(n2)c3ccc(cc3)C(F)(F)F)c1F    		 3-[[5-bromanyl-4-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]methoxy]-2,6-bis(fluoranyl)benzamide
    45133
    ZI7
    CHEMBL3909654    		 1 C15 H8 F5 N3 O2 S InChI=1S/C15H8F5N3O2S/c16
    -7-1-2-9(12(17)11(7)13(21
    )24)25-5-10-23-8-3-6(15(1
    8,19)20)4-22-14(8)26-10/h
    1-4H,5H2,(H2,21,24);
    ZVALMTAWSBJQSN-UHFFFAOYSA-N    		 c1cc(c(c(c1OCc2nc3cc(cnc3s2)C(F)(F)F)F)C
    (=O)N)F; NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n
    2)C(F)(F)F)c1F    		 2,6-bis(fluoranyl)-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
    45134
    ZI8    		 3 C20 H21 Cl N2 O3 InChI=1S/C20H21ClN2O3/c21
    -16-5-3-15(4-6-16)20(12-2
    6-13-20)22-19(25)14-1-7-1
    7(8-2-14)23-10-9-18(24)11
    -23/h1-8,18,24H,9-13H2,(H
    ,22,25)/t18-/m0/s1;
    XRPYHXDCSXOQDK-SFHVURJKSA-N    		 O[C@H]1CCN(C1)c2ccc(cc2)C(=O)NC3(COC3)c4
    ccc(Cl)cc4; c1cc(ccc1C(=O)NC2(COC2)c3ccc
    (cc3)Cl)N4CCC(C4)O; c1cc(ccc1C(=O)NC2(CO
    C2)c3ccc(cc3)Cl)N4CC[C@@H](C4)O; O[CH]1C
    CN(C1)c2ccc(cc2)C(=O)NC3(COC3)c4ccc(Cl)c
    c4; O=C(NC1(COC1)c1ccc(Cl)cc1)c1ccc(cc1)
    N1CCC(O)C1    		 N-[3-(4-chlorophenyl)oxetan-3-yl]-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
    45135
    ZI9    		 1 C16 H9 F2 N3 O2 S InChI=1S/C16H9F2N3O2S/c1-
    2-8-5-10-16(20-6-8)24-12(
    21-10)7-23-11-4-3-9(17)13
    (14(11)18)15(19)22/h1,3-6
    H,7H2,(H2,19,22);
    SCUOMBYZGFZRIF-UHFFFAOYSA-N    		 C#Cc1cc2c(nc1)sc(n2)COc3ccc(c(c3F)C(=O)N
    )F; NC(=O)c1c(F)ccc(OCc2sc3ncc(cc3n2)C#C
    )c1F    		 3-[(6-ethynyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-bis(fluoranyl)benzamide
    45136
    ZIA    		 3 C13 H22 N2 O7 InChI=1S/C13H22N2O7/c1-6(
    17)14-10-12(20)11(19)8(4-
    16)22-13(10)21-5-7-2-3-9(
    18)15-7/h7-8,10-13,16,19-
    20H,2-5H2,1H3,(H,14,17)(H
    ,15,18)/t7-,8-,10-,11-,12
    -,13-/m1/s1;
    KCXADKXCRNBSFF-IOJHDDLYSA-N    		 CC(=O)NC1C(C(C(OC1OCC2CCC(=O)N2)CO)O)O;
    CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1
    OC[CH]2CCC(=O)N2; CC(=O)NC1C(O)C(O)C(CO)
    OC1OCC1CCC(=O)N1; CC(=O)N[C@@H]1[C@H]([C
    @@H]([C@H](O[C@H]1OC[C@H]2CCC(=O)N2)CO)O
    )O; CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H
    ](CO)O[C@H]1OC[C@H]2CCC(=O)N2    		 [(2R)-5-oxopyrrolidin-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
    45137
    ZIB    		 1 C22 H20 F3 N5 O4 InChI=1S/C22H20F3N5O4/c23
    -22(24,25)34-17-4-2-16(3-
    5-17)33-12-20(31)29-8-14-
    10-30(11-15(14)9-29)21(32
    )13-1-6-18-19(7-13)27-28-
    26-18/h1-7,14-15H,8-12H2,
    (H,26,27,28)/t14-,15-/m1/
    s1;
    HVULMZFELFVBMC-HUUCEWRRSA-N    		 c1cc(ccc1OCC(=O)N2C[C@@H]3CN(C[C@H]3C2)C
    (=O)c4ccc5c(c4)nn[nH]5)OC(F)(F)F; FC(F)(
    F)Oc1ccc(OCC(=O)N2C[C@@H]3CN(C[C@H]3C2)C
    (=O)c4ccc5[nH]nnc5c4)cc1; c1cc(ccc1OCC(=
    O)N2CC3CN(CC3C2)C(=O)c4ccc5c(c4)nn[nH]5)
    OC(F)(F)F; FC(F)(F)Oc1ccc(OCC(=O)N2C[CH]
    3CN(C[CH]3C2)C(=O)c4ccc5[nH]nnc5c4)cc1;
    FC(F)(F)Oc1ccc(cc1)OCC(=O)N1CC2CN(CC2C1)
    C(=O)c1cc2nn[NH]c2cc1    		 1-[(3aS,6aS)-5-(1H-benzotriazole-5-carbonyl)hexahydropyrrolo[3,4-c]pyrrol-2(1H)-yl]-2-[4-(trifluoromethoxy)phenoxy]ethan-1-one
    45138
    ZID    		 10 C27 H30 N8 O15 P2 InChI=1S/C27H30N8O15P2/c2
    8-23-17-25(32-10-31-23)35
    (11-33-17)27-22(40)20(38)
    16(49-27)9-47-52(44,45)50
    -51(42,43)46-8-15-19(37)2
    1(39)26(48-15)34-6-3-13(1
    4(7-34)24(29)41)18(36)12-
    1-4-30-5-2-12/h1-7,10-11,
    15-16,19-22,26-27,37-40H,
    8-9H2,(H5-,28,29,31,32,41
    ,42,43,44,45)/t15-,16-,19
    -,20-,21-,22-,26-,27-/m1/
    s1;
    SURAWYIAXPVHGO-XDBKRARRSA-N    		 c1cnccc1C(=O)c2cc[n+](cc2C(=O)N)C3C(C(C(
    O3)COP(=O)([O-])OP(=O)(O)OCC4C(C(C(O4)n5
    cnc6c5ncnc6N)O)O)O)O; c1cnccc1C(=O)c2cc[
    n+](cc2C(=O)N)[C@H]3[C@@H]([C@@H]([C@H](
    O3)COP(=O)([O-])O[P@@](=O)(O)OC[C@@H]4[C
    @H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O
    )O; NC(=O)c1c[n+](ccc1C(=O)c2ccncc2)[C@@
    H]3O[C@H](CO[P]([O-])(=O)O[P](O)(=O)OC[C
    @H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)nc
    nc56)[C@@H](O)[C@H]3O; NC(=O)c1c[n+](ccc
    1C(=O)c2ccncc2)[CH]3O[CH](CO[P]([O-])(=O
    )O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n
    5cnc6c(N)ncnc56)[CH](O)[CH]3O    		 ISONICOTINIC-ACETYL-NICOTINAMIDE-ADENINE DINUCLEOTIDE
    45139
    ZIE
    ZINC000077311808    		 1 C22 H31 N3 O13 InChI=1S/C22H31N3O13/c1-9
    (28)23-15-18(31)17(30)13(
    7-26)36-22(15)38-20-14(8-
    27)37-21(16(19(20)32)24-1
    0(2)29)35-12-5-3-11(4-6-1
    2)25(33)34/h3-6,13-22,26-
    27,30-32H,7-8H2,1-2H3,(H,
    23,28)(H,24,29)/t13-,14-,
    15-,16-,17-,18-,19-,20-,2
    1-,22+/m1/s1;
    HWBFEVWOQMUQIE-MVEDJEFUSA-N    		 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1
    O[CH]2[CH](O)[CH](NC(C)=O)[CH](O[CH]2CO)
    Oc3ccc(cc3)[N+]([O-])=O; CC(=O)NC1C(C(C(
    OC1OC2C(OC(C(C2O)NC(=O)C)Oc3ccc(cc3)[N+]
    (=O)[O-])CO)CO)O)O; CC(=O)N[C@@H]1[C@@H]
    (O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]2[C@H]
    (O)[C@@H](NC(C)=O)[C@@H](O[C@@H]2CO)Oc3c
    cc(cc3)[N+]([O-])=O; CC(=O)NC1C(O)C(O)C(
    CO)OC1OC1C(CO)OC(Oc2ccc(cc2)[N+]([O-])=O
    )C(NC(C)=O)C1O; CC(=O)N[C@@H]1[C@H]([C@@
    H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@
    @H]([C@H]2O)NC(=O)C)Oc3ccc(cc3)[N+](=O)[
    O-])CO)CO)O)O    		 4-nitrophenyl 2-acetamido-4-O-(2-acetamido-2-deoxy-beta-D-glucopyranosyl)-2-deoxy-beta-D-glucopyranoside
    45140
    ZIF    		 1 C18 H19 Cl N4 O InChI=1S/C18H19ClN4O/c1-1
    2-9-17(20-10-15-3-2-8-24-
    15)23-18(22-12)16(11-21-2
    3)13-4-6-14(19)7-5-13/h4-
    7,9,11,15,20H,2-3,8,10H2,
    1H3/t15-/m1/s1;
    OTWBEJZSLGHWCR-OAHLLOKOSA-N    		 Clc1ccc(cc1)c1cnn2c(NCC3CCCO3)cc(C)nc21;
    Cc1cc(n2c(n1)c(cn2)c3ccc(cc3)Cl)NCC4CCC
    O4; Cc1cc(NC[CH]2CCCO2)n3ncc(c4ccc(Cl)cc
    4)c3n1; Cc1cc(NC[C@H]2CCCO2)n3ncc(c4ccc(
    Cl)cc4)c3n1; Cc1cc(n2c(n1)c(cn2)c3ccc(cc
    3)Cl)NC[C@H]4CCCO4    		 (8R)-3-(4-chlorophenyl)-5-methyl-N-{[(2R)-oxolan-2-yl]methyl}pyrazolo[1,5-a]pyrimidin-7-amine
    45141
    ZIG
    CHEMBL1236962
    DB12703
    ZINC000043208634    		 1 C25 H17 F2 N5 O3 S InChI=1S/C25H17F2N5O3S/c1
    -35-25-23(32-36(33,34)24-
    5-3-18(26)12-21(24)27)11-
    17(13-29-25)15-2-4-22-20(
    10-15)19(7-8-28-22)16-6-9
    -30-31-14-16/h2-14,32H,1H
    3;
    CGBJSGAELGCMKE-UHFFFAOYSA-N    		 COc1ncc(cc1N[S](=O)(=O)c2ccc(F)cc2F)c3cc
    c4nccc(c5ccnnc5)c4c3; COc1c(cc(cn1)c2ccc
    3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc
    5F)F    		 2,4-difluoro-N-[2-methoxy-5-(4-pyridazin-4-ylquinolin-6-yl)pyridin-3-yl]benzenesulfonamide
    45142
    ZIL
    ZINC000004535717    		 28 C20 H30 N2 O5 InChI=1S/C20H30N2O5/c1-5-
    14(4)17(18(23)21-16(19(24
    )25)11-13(2)3)22-20(26)27
    -12-15-9-7-6-8-10-15/h6-1
    0,13-14,16-17H,5,11-12H2,
    1-4H3,(H,21,23)(H,22,26)(
    H,24,25)/t14-,16-,17-/m0/
    s1;
    BSRAGXJNZJMFMY-XIRDDKMYSA-N    		 O=C(O)C(NC(=O)C(NC(=O)OCc1ccccc1)C(C)CC)
    CC(C)C; CCC(C)C(C(=O)NC(CC(C)C)C(=O)O)NC
    (=O)OCc1ccccc1; CC[CH](C)[CH](NC(=O)OCc1
    ccccc1)C(=O)N[CH](CC(C)C)C(O)=O; CC[C@H]
    (C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)O)NC(
    =O)OCc1ccccc1; CC[C@H](C)[C@H](NC(=O)OCc
    1ccccc1)C(=O)N[C@@H](CC(C)C)C(O)=O    		 N-[(benzyloxy)carbonyl]-L-isoleucyl-L-leucine;
    Z-Ile-Leu
    45143
    ZIM
    ZINC000004856587    		 1 C16 H16 Cl N3 O3 InChI=1S/C16H16ClN3O3/c17
    -12-4-1-2-5-13(12)18-16(2
    2)20-9-7-19(8-10-20)15(21
    )14-6-3-11-23-14/h1-6,11H
    ,7-10H2,(H,18,22);
    WXIMHLJBEWNBSA-UHFFFAOYSA-N    		 Clc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3;
    O=C(N1CCN(CC1)C(=O)Nc1ccccc1Cl)c1ccco1;
    c1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)
    Cl    		 N-(2-chlorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
    45144
    ZIN
    ZINC000044713556    		 3 C15 H12 N2 O InChI=1S/C15H12N2O/c18-15
    -12(10-13-5-1-2-8-16-13)7
    -6-11-4-3-9-17-14(11)15/h
    1-9,18H,10H2;
    WLWQZKQFQNNCAP-UHFFFAOYSA-N    		 Oc1c(Cc2ccccn2)ccc3cccnc13; Oc1c(ccc2ccc
    nc12)Cc3ncccc3; c1ccnc(c1)Cc2ccc3cccnc3c
    2O    		 7-(pyridin-2-ylmethyl)quinolin-8-ol
    45145
    ZIO    		 4 C35 H61 N O12 InChI=1S/C35H61NO12/c1-16
    -14-35(15-43-35)32(40)19(
    4)27(37)18(3)22(7)46-33(4
    1)21(6)31(47-26-13-25(42-
    11)28(38)23(8)45-26)20(5)
    30(16)48-34-29(39)24(36(9
    )10)12-17(2)44-34/h16-31,
    34,37-39H,12-15H2,1-11H3/
    t16-,17+,18-,19+,20+,21+,
    22+,23-,24-,25-,26-,27-,2
    8-,29+,30-,31-,34-,35-/m0
    /s1;
    RZPAKFUAFGMUPI-KGIGTXTPSA-N    		 C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[
    C@H](C[C@]3(CO3)C(=O)[C@@H]([C@H]([C@H](
    [C@H](OC(=O)[C@@H]([C@H]([C@@H]2C)O[C@H]
    4C[C@@H]([C@H]([C@@H](O4)C)O)OC)C)C)C)O)
    C)C)O)N(C)C; CC1CC(C(C(O1)OC2C(CC3(CO3)C
    (=O)C(C(C(C(OC(=O)C(C(C2C)OC4CC(C(C(O4)C
    )O)OC)C)C)C)O)C)C)O)N(C)C; CO[CH]1C[CH](
    O[CH](C)[CH]1O)O[CH]2[CH](C)[CH](O[CH]3O
    [CH](C)C[CH]([CH]3O)N(C)C)[CH](C)C[C]4(C
    O4)C(=O)[CH](C)[CH](O)[CH](C)[CH](C)OC(=
    O)[CH]2C; CO[C@H]1C[C@@H](O[C@@H](C)[C@@
    H]1O)O[C@H]2[C@H](C)[C@@H](O[C@@H]3O[C@H
    ](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C[C@]
    4(CO4)C(=O)[C@H](C)[C@@H](O)[C@@H](C)[C@
    @H](C)OC(=O)[C@@H]2C; O=C4C(C)C(O)C(C)C(
    OC(=O)C(C(OC1OC(C(O)C(OC)C1)C)C(C)C(OC2O
    C(C)CC(N(C)C)C2O)C(C)CC43OC3)C)C    		 (3S,5R,6S,7R,8R,11R,12S,13R,14S,15S)-6-HYDROXY-5,7,8,11,13,15-HEXAMETHYL-4,10-DIOXO-14-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}-1,9-DIOXASPIRO[2.13]HEXADEC-12-YL 2,6-DIDEOXY-3-O-METHYL-ALPHA-L-ARABINO-HEXOPYRANOSIDE;
    OLEANDOMYCIN
    45146
    ZIP
    CHEMBL476189
    DB08768
    ZINC000000032351    		 7 C10 H13 N5 InChI=1S/C10H13N5/c1-7(2)
    3-4-11-9-8-10(13-5-12-8)1
    5-6-14-9/h3,5-6H,4H2,1-2H
    3,(H2,11,12,13,14,15);
    HYVABZIGRDEKCD-UHFFFAOYSA-N    		 n2c1c(ncn1)c(nc2)NC\C=C(/C)C; CC(=CCNc1c
    2c([nH]cn2)ncn1)C; CC(C)=CCNc1ncnc2[nH]c
    nc12    		 N-(3-METHYLBUT-2-EN-1-YL)-9H-PURIN-6-AMINE;
    ISOPENTENYLADENINE
    45147
    ZIQ
    ZINC000000039095    		 60 C12 H14 N2 O2 InChI=1S/C12H14N2O2/c1-12
    (13,11(15)16)6-8-7-14-10-
    5-3-2-4-9(8)10/h2-5,7,14H
    ,6,13H2,1H3,(H,15,16)/t12
    -/m0/s1;
    ZTTWHZHBPDYSQB-LBPRGKRZSA-N    		 C[C](N)(Cc1c[nH]c2ccccc12)C(O)=O; CC(Cc1
    c[nH]c2c1cccc2)(C(=O)O)N; C[C@](Cc1c[nH]
    c2c1cccc2)(C(=O)O)N; C[C@](N)(Cc1c[nH]c2
    ccccc12)C(O)=O; NC(C(O)=O)(Cc1cnc2c1cccc
    2)C    		 alpha-methyl-L-tryptophan
    45148
    ZIR
    CHEMBL452867
    DB11933
    ZINC000000057125    		 3 C15 H21 N5 O4 InChI=1S/C15H21N5O4/c1-8(
    2)3-4-16-13-10-14(18-6-17
    -13)20(7-19-10)15-12(23)1
    1(22)9(5-21)24-15/h3,6-7,
    9,11-12,15,21-23H,4-5H2,1
    -2H3,(H,16,17,18)/t9-,11-
    ,12-,15-/m1/s1;
    USVMJSALORZVDV-SDBHATRESA-N    		 CC(C)=CCNc1ncnc2n(cnc12)[CH]3O[CH](CO)[C
    H](O)[CH]3O; n2c1c(ncnc1n(c2)C3OC(C(O)C3
    O)CO)NC\C=C(/C)C; CC(=CCNc1c2c(ncn1)n(cn
    2)C3C(C(C(O3)CO)O)O)C; CC(=CCNc1c2c(ncn1
    )n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O
    )O)C; CC(C)=CCNc1ncnc2n(cnc12)[C@@H]3O[C
    @H](CO)[C@@H](O)[C@H]3O    		 N-(3-methylbut-2-en-1-yl)adenosine
    45149
    ZIS    		 1 C24 H27 F4 N5 O4 InChI=1S/C24H27F4N5O4/c25
    -18-10-17(37-14-24(26,27)
    28)3-1-16(18)11-36-22(35)
    32-7-5-23(6-8-32)12-33(13
    -23)21(34)15-2-4-19-20(9-
    15)30-31-29-19/h1,3,10,15
    H,2,4-9,11-14H2,(H,29,30,
    31)/t15-/m1/s1;
    HFJGRHYPTCNSKW-OAHLLOKOSA-N    		 FC(F)(F)COc1ccc(COC(=O)N2CCC3(CC2)CN(C3)
    C(=O)C2CCc3[NH]nnc3C2)c(F)c1; c1cc(c(cc1
    OCC(F)(F)F)F)COC(=O)N2CCC3(CC2)CN(C3)C(=
    O)C4CCc5c(nn[nH]5)C4; Fc1cc(OCC(F)(F)F)c
    cc1COC(=O)N2CCC3(CC2)CN(C3)C(=O)[C@@H]4C
    Cc5[nH]nnc5C4; c1cc(c(cc1OCC(F)(F)F)F)CO
    C(=O)N2CCC3(CC2)CN(C3)C(=O)[C@@H]4CCc5c(
    nn[nH]5)C4; Fc1cc(OCC(F)(F)F)ccc1COC(=O)
    N2CCC3(CC2)CN(C3)C(=O)[CH]4CCc5[nH]nnc5C
    4    		 [2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]methyl 2-[(5R)-4,5,6,7-tetrahydro-1H-benzotriazole-5-carbonyl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
    45150
    ZIT
    CHEMBL529
    DB00207
    ZINC000085537026    		 9 C38 H72 N2 O12 InChI=1S/C38H72N2O12/c1-1
    5-27-38(10,46)31(42)24(6)
    40(13)19-20(2)17-36(8,45)
    33(52-35-29(41)26(39(11)1
    2)16-21(3)48-35)22(4)30(2
    3(5)34(44)50-27)51-28-18-
    37(9,47-14)32(43)25(7)49-
    28/h20-33,35,41-43,45-46H
    ,15-19H2,1-14H3/t20-,21-,
    22+,23-,24-,25+,26+,27-,2
    8+,29-,30+,31-,32+,33-,35
    +,36-,37-,38-/m1/s1;
    MQTOSJVFKKJCRP-BICOPXKESA-N    		 CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@
    @](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@
    @H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C
    )C)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C)[C@@
    H](O)[C@]1(C)O; O=C3OC(CC)C(O)(C)C(O)C(N
    (C)CC(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C
    (C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C; CC[CH
    ]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[CH
    ](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C)
    C[CH]([CH]3O)N(C)C)[C](C)(O)C[CH](C)CN(C
    )[CH](C)[CH](O)[C]1(C)O; CCC1C(C(C(N(CC(
    CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C
    )OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)C)
    O)(C)O; CC[C@@H]1[C@@]([C@@H]([C@H]([N@@
    ](C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@
    H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](
    O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H
    ](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O    		 AZITHROMYCIN
    45151
    ZIV    		 0 C26 H39 N12 O12 P InChI=1S/C26H39N12O12P/c2
    7-10(25(44)45)1-2-35(5-11
    -15(39)17(41)23(49-11)37-
    8-32-13-19(28)30-7-31-20(
    13)37)3-4-36-9-38(21-14(3
    6)22(43)34-26(29)33-21)24
    -18(42)16(40)12(50-24)6-4
    8-51(46)47/h7-8,10-12,15-
    18,23-24,39-42,46,51H,1-6
    ,9,27H2,(H,44,45)(H2,28,3
    0,31)(H3,29,33,34,43)/q-1
    /t10-,11+,12+,15+,16-,17+
    ,18+,23+,24+/m0/s1;
    QKJZWHZELYFDJK-PBBDAFOISA-N    		 N[CH](CCN(CCN1CN([CH]2O[CH](CO[PH]([OH-]
    )=O)[CH](O)[CH]2O)C3=C1C(=O)N=C(N)N3)C[C
    H]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)
    C(O)=O; O=C(O)C(N)CCN(CC1OC(n2cnc3c(N)nc
    nc32)C(O)C1O)CCN1CN(C2OC(COP(O)O)C(O)C2O
    )C=2NC(N)=NC(=O)C1=2; N[C@@H](CCN(CCN1CN
    ([C@@H]2O[C@H](CO[PH]([OH-])=O)[C@H](O)[
    C@H]2O)C3=C1C(=O)N=C(N)N3)C[C@H]4O[C@H](
    [C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)C(O)=O
    ; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCC(C(
    =O)O)N)CCN4CN(C5=C4C(=O)N=C(N5)N)C6C(C(C
    (O6)COP(=O)[OH-])O)O)O)O)N; c1nc(c2c(n1)
    n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CC
    [C@@H](C(=O)O)N)CCN4CN(C5=C4C(=O)N=C(N5)
    N)[C@H]6[C@@H]([C@H]([C@H](O6)COP(=O)[OH
    -])O)O)O)O)N    		 (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[2-azanyl-9-[(2~{R},3~{R},4~{R},5~{R})-5-[bis(oxidanyl)phosphanyloxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3~{H}-purin-7-yl]ethyl]amino]-2-azanyl-butanoic acid
    45152
    ZIW    		 1 C18 H19 Cl N4 O3 S InChI=1S/C18H19ClN4O3S/c1
    9-14-2-1-11-4-15(5-12(11)
    3-14)21-18-20-6-13-7-23(8
    -17(13)22-18)27(24,25)16-
    9-26-10-16/h1-3,6,15-16H,
    4-5,7-10H2,(H,20,21,22)/t
    15-/m0/s1;
    MGCMXBWEEHFPAH-HNNXBMFYSA-N    		 Clc1ccc2C[C@@H](Cc2c1)Nc3ncc4CN(Cc4n3)[S
    ](=O)(=O)C5COC5; c1cc2c(cc1Cl)C[C@H](C2)
    Nc3ncc4c(n3)CN(C4)S(=O)(=O)C5COC5; Clc1c
    cc2C[CH](Cc2c1)Nc3ncc4CN(Cc4n3)[S](=O)(=
    O)C5COC5; c1cc2c(cc1Cl)CC(C2)Nc3ncc4c(n3
    )CN(C4)S(=O)(=O)C5COC5; O=S(=O)(N1Cc2nc(
    NC3Cc4ccc(Cl)cc4C3)ncc2C1)C1COC1    		 N-[(2S)-5-chloro-2,3-dihydro-1H-inden-2-yl]-6-(oxetane-3-sulfonyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-amine
    45153
    ZIY
    CHEMBL451930
    DB04977    		 2 C57 H87 N7 O15 InChI=1S/C57H87N7O15/c1-1
    5-33(8)46-44(66)29-45(67)
    79-49(32(6)7)48(68)34(9)5
    0(69)58-39(26-30(2)3)54(7
    3)64-25-17-19-41(64)56(75
    )62(13)43(28-37-20-22-38(
    77-14)23-21-37)57(76)78-3
    6(11)47(52(71)59-46)60-51
    (70)42(27-31(4)5)61(12)55
    (74)40-18-16-24-63(40)53(
    72)35(10)65/h20-23,30-34,
    36,39-44,46-47,49,66H,15-
    19,24-29H2,1-14H3,(H,58,6
    9)(H,59,71)(H,60,70)/t33-
    ,34-,36+,39-,40-,41-,42+,
    43-,44-,46+,47-,49-/m0/s1;
    UUSZLLQJYRSZIS-LXNNNBEUSA-N    		 CC[C@H](C)[C@H]1NC(=O)[C@@H](NC(=O)[C@@H
    ](CC(C)C)N(C)C(=O)[C@@H]2CCCN2C(=O)C(C)=
    O)[C@@H](C)OC(=O)[C@H](Cc3ccc(OC)cc3)N(C
    )C(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=
    O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C
    (C)C; CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(
    C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)N
    C(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(=O)
    C)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O; CC
    [C@H](C)[C@@H]1C(CC(=O)O[C@H](C(=O)[C@@H
    ](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N([C@
    H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)[C@
    @H](CC(C)C)N(C)C(=O)[C@@H]3CCCN3C(=O)C(=
    O)C)C)Cc4ccc(cc4)OC)C)CC(C)C)C)C(C)C)O;
    CC[CH](C)[CH]1NC(=O)[CH](NC(=O)[CH](CC(C
    )C)N(C)C(=O)[CH]2CCCN2C(=O)C(C)=O)[CH](C
    )OC(=O)[CH](Cc3ccc(OC)cc3)N(C)C(=O)[CH]4
    CCCN4C(=O)[CH](CC(C)C)NC(=O)[CH](C)C(=O)
    [CH](OC(=O)C[CH]1O)C(C)C; CC(=O)C(=O)N1C
    CCC1C(=O)N(C)C(CC(C)C)C(=O)NC1C(=O)NC(C(
    O)CC(=O)OC(C(C)C)C(=O)C(C)C(=O)NC(CC(C)C
    )C(=O)N2CCCC2C(=O)N(C)C(Cc2ccc(OC)cc2)C(
    =O)OC1C)C(C)CC    		 plitidepsin
    45154
    ZIZ    		 14 C15 H21 I3 N6 O6 InChI=1S/C15H21I3N6O6/c16
    -1-10(25)19-4-13(28)22-7-
    23(14(29)5-20-11(26)2-17)
    9-24(8-22)15(30)6-21-12(2
    7)3-18/h1-9H2,(H,19,25)(H
    ,20,26)(H,21,27);
    NQXMSMNRHYWXDM-UHFFFAOYSA-N    		 ICC(=O)NCC(=O)N1CN(CN(C1)C(=O)CNC(=O)CI)
    C(=O)CNC(=O)CI; C1N(CN(CN1C(=O)CNC(=O)CI
    )C(=O)CNC(=O)CI)C(=O)CNC(=O)CI    		 N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide
    45155
    ZJ0    		 1 C18 H28 O3 InChI=1S/C18H28O3/c1-4-5-
    6-7-8-9-10-11-18(19)15-12
    -16(20-2)14-17(13-15)21-3
    /h12-14H,4-11H2,1-3H3;
    YVSIRBTWQSGOBH-UHFFFAOYSA-N    		 CCCCCCCCCC(=O)c1cc(cc(c1)OC)OC; CCCCCCCC
    CC(=O)c1cc(OC)cc(OC)c1; O=C(c1cc(OC)cc(O
    C)c1)CCCCCCCCC    		 1-(3,5-dimethoxyphenyl)decan-1-one
    45156
    ZJ1    		 1 C25 H35 N3 O3 S InChI=1S/C25H35N3O3S/c1-5
    -32(30,31)28(22-15-13-20(
    14-16-22)25(2,3)4)23(19-1
    0-9-17-26-18-19)24(29)27-
    21-11-7-6-8-12-21/h9-10,1
    3-18,21,23H,5-8,11-12H2,1
    -4H3,(H,27,29)/t23-/m1/s1;
    ZCSLMPKXGXMPHB-HSZRJFAPSA-N    		 CCS(=O)(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2
    cccnc2)C(=O)NC3CCCCC3; CC[S](=O)(=O)N([C
    H](C(=O)NC1CCCCC1)c2cccnc2)c3ccc(cc3)C(C
    )(C)C; CC[S](=O)(=O)N([C@@H](C(=O)NC1CCC
    CC1)c2cccnc2)c3ccc(cc3)C(C)(C)C; CC(C)(C
    )c1ccc(cc1)N(C(c1cccnc1)C(=O)NC1CCCCC1)S
    (=O)(=O)CC; CCS(=O)(=O)N(c1ccc(cc1)C(C)(
    C)C)C(c2cccnc2)C(=O)NC3CCCCC3    		 (2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide
    45157
    ZJ2    		 1 C24 H19 N7 O InChI=1S/C24H19N7O/c1-15-
    10-18(4-3-9-25)11-16(2)22
    (15)31-14-21(32)29-20-13-
    27-24(30-23(20)31)28-19-7
    -5-17(12-26)6-8-19/h3-8,1
    0-11,13H,14H2,1-2H3,(H,29
    ,32)(H,27,28,30)/b4-3+;
    QRFWWEONRMHITJ-ONEGZZNKSA-N    		 Cc1cc(cc(c1N2CC(=O)Nc3c2nc(nc3)Nc4ccc(cc
    4)C#N)C)C=CC#N; Cc1cc(/C=C/C#N)cc(C)c1N2
    CC(=O)Nc3cnc(Nc4ccc(cc4)C#N)nc23; N#Cc1c
    cc(cc1)Nc1ncc2NC(=O)CN(c2n1)c1c(C)cc(\C=
    C\C#N)cc1C; Cc1cc(C=CC#N)cc(C)c1N2CC(=O)
    Nc3cnc(Nc4ccc(cc4)C#N)nc23; Cc1cc(cc(c1N
    2CC(=O)Nc3c2nc(nc3)Nc4ccc(cc4)C#N)C)/C=C
    /C#N    		 4-[(8-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenyl}-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino]benzonitrile
    45158
    ZJ3    		 2 C25 H26 F3 N5 O16 P2 InChI=1S/C25H26F3N5O16P2/
    c26-25(27,28)11-4-15(34)4
    6-12-3-9(1-2-10(11)12)45-
    24-20(38)18(36)14(48-24)6
    -44-51(41,42)49-50(39,40)
    43-5-13-17(35)19(37)23(47
    -13)33-8-32-16-21(29)30-7
    -31-22(16)33/h1-4,7-8,13-
    14,17-20,23-24,35-38H,5-6
    H2,(H,39,40)(H,41,42)(H2,
    29,30,31)/t13-,14-,17-,18
    -,19-,20-,23-,24+/m1/s1;
    JNMHMJORTGCLAH-IPSZZCKZSA-N    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=
    O)O[P](O)(=O)OC[C@H]4O[C@H](Oc5ccc6c(OC(
    =O)C=C6C(F)(F)F)c5)[C@H](O)[C@@H]4O)[C@@
    H](O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3O[CH]
    (CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](Oc5
    ccc6c(OC(=O)C=C6C(F)(F)F)c5)[CH](O)[CH]4
    O)[CH](O)[CH]3O; c1cc2c(cc1O[C@@H]3[C@@H
    ]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OC[
    C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc
    6N)O)O)O)O)OC(=O)C=C2C(F)(F)F; c1cc2c(cc
    1OC3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(
    C(O4)n5cnc6c5ncnc6N)O)O)O)O)OC(=O)C=C2C(
    F)(F)F; Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(
    =O)(O)OCC2OC(Oc3cc4OC(=O)C=C(c4cc3)C(F)(
    F)F)C(O)C2O)C(O)C1O    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate
    45159
    ZJ4
    CHEMBL5081858    		 1 C13 H12 O2 S InChI=1S/C13H12O2S/c1-8-4
    -3-5-9(2)12(8)10-6-7-11(1
    6-10)13(14)15/h3-7H,1-2H3
    ,(H,14,15);
    OIKZRFRQYNLPMK-UHFFFAOYSA-N    		 Cc1cccc(c1c2ccc(s2)C(=O)O)C; Cc1cccc(C)c
    1c2sc(cc2)C(O)=O; OC(=O)c1ccc(s1)c1c(C)c
    ccc1C    		 5-(2,6-dimethylphenyl)thiophene-2-carboxylic acid
    45160
    ZJ5    		 1 C9 H13 B N O5 S InChI=1S/C9H13BNO5S/c1-17
    (14,15)11-6-9-7-4-2-3-5-8
    (7)10(12,13)16-9/h2-5,9,1
    1-13H,6H2,1H3/t9-/m0/s1;
    GHGXSIOIQUNTKP-VIFPVBQESA-N    		 B1(c2ccccc2C(O1)CNS(=O)(=O)C)(O)O; C[S](
    =O)(=O)NC[CH]1O[B](O)(O)c2ccccc12; B1(c2
    ccccc2[C@@H](O1)CNS(=O)(=O)C)(O)O; C[S](
    =O)(=O)NC[C@@H]1O[B](O)(O)c2ccccc12    		 ~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]methanesulfonamide
    45161
    ZJ7
    CHEMBL5090353    		 3 C14 H14 O2 S InChI=1S/C14H14O2S/c1-8-6
    -9(2)13(10(3)7-8)11-4-5-1
    2(17-11)14(15)16/h4-7H,1-
    3H3,(H,15,16);
    KRVQNZWUCJAZTJ-UHFFFAOYSA-N    		 OC(=O)c1ccc(s1)c1c(C)cc(C)cc1C; Cc1cc(c(
    c(c1)C)c2ccc(s2)C(=O)O)C; Cc1cc(C)c(c(C)
    c1)c2sc(cc2)C(O)=O    		 5-(2,4,6-trimethylphenyl)thiophene-2-carboxylic acid
    45162
    ZJ8    		 1 C13 H19 N3 O3 InChI=1S/C13H19N3O3/c1-2-
    5-14-13(18)16-8-6-15(7-9-
    16)12(17)11-4-3-10-19-11/
    h3-4,10H,2,5-9H2,1H3,(H,1
    4,18);
    DORIINNMIBLCHO-UHFFFAOYSA-N    		 CCCNC(=O)N1CCN(CC1)C(=O)c2ccco2; CCCNC(=
    O)N1CCN(CC1)C(=O)c2occc2; O=C(N1CCN(CC1)
    C(=O)NCCC)c1ccco1    		 4-(furan-2-carbonyl)-N-propylpiperazine-1-carboxamide
    45163
    ZJ9
    CHEMBL4752253    		 1 C22 H21 N3 O4 InChI=1S/C22H21N3O4/c1-25
    (2)22(28)16-9-7-14(11-19(
    16)26)20-12-18(24-29-20)2
    1(27)23-17-10-8-13-5-3-4-
    6-15(13)17/h3-7,9,11-12,1
    7,26H,8,10H2,1-2H3,(H,23,
    27)/t17-/m1/s1;
    IXWUILRSNIQHDM-QGZVFWFLSA-N    		 CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[C@@
    H]3CCc4ccccc34; CN(C)C(=O)c1ccc(cc1O)c2c
    c(no2)C(=O)N[C@@H]3CCc4c3cccc4; CN(C)C(=
    O)c1ccc(cc1O)c2cc(no2)C(=O)NC3CCc4c3cccc
    4; CN(C)C(=O)c1ccc(cc1O)c2onc(c2)C(=O)N[
    CH]3CCc4ccccc34    		 ~{N}-[(1~{R})-2,3-dihydro-1~{H}-inden-1-yl]-5-[4-(dimethylcarbamoyl)-3-oxidanyl-phenyl]-1,2-oxazole-3-carboxamide
    45164
    ZJA
    CHEMBL1589861
    ZINC000013814819    		 1 C12 H10 O2 S InChI=1S/C12H10O2S/c1-8-4
    -2-3-5-9(8)10-6-7-11(15-1
    0)12(13)14/h2-7H,1H3,(H,1
    3,14);
    BSOIGQKKGJNDJD-UHFFFAOYSA-N    		 Cc1ccccc1c2sc(cc2)C(O)=O; Cc1ccccc1c2ccc
    (s2)C(=O)O; OC(=O)c1ccc(s1)c1ccccc1C    		 5-(2-methylphenyl)thiophene-2-carboxylic acid
    45165
    ZJB
    CHEMBL331237
    DB12405
    ZINC000003808299    		 3 C13 H16 N6 O4 InChI=1S/C13H16N6O4/c1-18
    -11-7-5(10(14)17-18)2-19(
    12(7)16-4-15-11)13-9(22)8
    (21)6(3-20)23-13/h2,4,6,8
    -9,13,20-22H,3H2,1H3,(H2,
    14,17)/t6-,8-,9-,13-/m1/s
    1;
    HOGVTUZUJGHKPL-HTVVRFAVSA-N    		 CN1N=C(N)c2cn([CH]3O[CH](CO)[CH](O)[CH]3
    O)c4ncnc1c24; CN1c2c3c(cn(c3ncn2)[C@H]4[
    C@@H]([C@@H]([C@H](O4)CO)O)O)C(=N1)N; CN
    1c2c3c(cn(c3ncn2)C4C(C(C(O4)CO)O)O)C(=N1
    )N; CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H
    ](O)[C@H]3O)c4ncnc1c24    		 (2R,3R,4S,5R)-2-(3-AMINO-5-METHYL-1,4,5,6,8-PENTAAZAACENAPHTHYLEN-1(5H)-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL
    45166
    ZJD
    CHEMBL5077000    		 1 C13 H12 O2 S InChI=1S/C13H12O2S/c1-2-9
    -5-3-4-6-10(9)11-7-8-12(1
    6-11)13(14)15/h3-8H,2H2,1
    H3,(H,14,15);
    MVIOXXJJRFAADN-UHFFFAOYSA-N    		 CCc1ccccc1c2ccc(s2)C(=O)O; OC(=O)c1ccc(s
    1)c1ccccc1CC; CCc1ccccc1c2sc(cc2)C(O)=O    		 5-(2-ethylphenyl)thiophene-2-carboxylic acid
    45167
    ZJE    		 1 C15 H21 N3 O3 S InChI=1S/C15H21N3O3S/c19-
    14(13-4-2-10-22-13)17-5-7
    -18(8-6-17)15(20)16-11-12
    -3-1-9-21-12/h2,4,10,12H,
    1,3,5-9,11H2,(H,16,20)/t1
    2-/m0/s1;
    IFBUPEBQECKOCS-LBPRGKRZSA-N    		 O=C(N1CCN(CC1)C(=O)NCC1CCCO1)c1cccs1; c1
    cc(sc1)C(=O)N2CCN(CC2)C(=O)NCC3CCCO3; O=
    C(NC[CH]1CCCO1)N2CCN(CC2)C(=O)c3sccc3; O
    =C(NC[C@H]1CCCO1)N2CCN(CC2)C(=O)c3sccc3;
    c1cc(sc1)C(=O)N2CCN(CC2)C(=O)NC[C@H]3CC
    CO3    		 N-{[(2S)-oxolan-2-yl]methyl}-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
    45168
    ZJF    		 1 C15 H17 N3 O2 InChI=1S/C15H17N3O2/c19-1
    3-7-3-6-12(8-13)18-9-14(1
    6-10-18)15(20)17-11-4-1-2
    -5-11/h3,6-11,19H,1-2,4-5
    H2,(H,17,20);
    AQKIQKNFSLFVDF-UHFFFAOYSA-N    		 Oc1cccc(c1)n2cnc(c2)C(=O)NC3CCCC3; c1cc(
    cc(c1)O)n2cc(nc2)C(=O)NC3CCCC3    		 ~{N}-cyclopentyl-1-(3-hydroxyphenyl)imidazole-4-carboxamide
    45169
    ZJG    		 2 C37 H48 N6 O9 S InChI=1S/C37H48N6O9S/c1-2
    2-32(39-29-18-25(50-3)14-
    15-27(29)38-22)51-26-19-3
    0-31(44)41-37(34(46)42-53
    (48,49)36(2)16-17-36)20-2
    3(37)10-7-5-4-6-8-13-28(3
    3(45)43(30)21-26)40-35(47
    )52-24-11-9-12-24/h7,10,1
    4-15,18,23-24,26,28,30H,4
    -6,8-9,11-13,16-17,19-21H
    2,1-3H3,(H,40,47)(H,41,44
    )(H,42,46)/b10-7-/t23-,26
    -,28+,30+,37-/m1/s1;
    ZHHNNRKFJHSDBT-GDWKAFJFSA-N    		 Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C
    =CCCCCCC(C(=O)N4C3)NC(=O)OC6CCC6)C(=O)NS
    (=O)(=O)C7(CC7)C; CC1(CC1)S(=O)(=O)NC(=O
    )C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C
    (=O)C(NC(=O)OC3CCC3)CCCCCC=CC2C1; Cc1c(n
    c2cc(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)OC6CCC6)C(=O)NS(=O)(=O)C7(CC7)C; COc1
    ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](CC
    CCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)
    C6(C)CC6)NC(=O)OC7CCC7)nc2c1; COc1ccc2nc
    (C)c(O[C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCC
    CC\C=C/[C@@H]5C[C@]5(NC4=O)C(=O)N[S](=O)
    (=O)C6(C)CC6)NC(=O)OC7CCC7)nc2c1    		 cyclobutyl {(2R,4S,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
    45170
    ZJI
    ZINC000036178937    		 1 C13 H17 N3 O3 InChI=1S/C13H17N3O3/c17-1
    2(11-2-1-9-19-11)15-5-7-1
    6(8-6-15)13(18)14-10-3-4-
    10/h1-2,9-10H,3-8H2,(H,14
    ,18);
    XDMLFKCHHBCVAB-UHFFFAOYSA-N    		 c1cc(oc1)C(=O)N2CCN(CC2)C(=O)NC3CC3; O=C
    (N1CCN(CC1)C(=O)NC1CC1)c1ccco1; O=C(NC1C
    C1)N2CCN(CC2)C(=O)c3occc3    		 N-cyclopropyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
    45171
    ZJJ    		 2 C37 H46 F2 N6 O9 S InChI=1S/C37H46F2N6O9S/c1
    -21-31(41-28-15-23(52-3)1
    1-12-26(28)40-21)53-24-16
    -29-30(46)43-37(33(48)44-
    55(50,51)35(2)13-14-35)17
    -22(37)9-7-5-4-6-8-10-27(
    32(47)45(29)20-24)42-34(4
    9)54-25-18-36(38,39)19-25
    /h7,9,11-12,15,22,24-25,2
    7,29H,4-6,8,10,13-14,16-2
    0H2,1-3H3,(H,42,49)(H,43,
    46)(H,44,48)/b9-7-/t22-,2
    4-,27+,29+,37-/m1/s1;
    GNPRLAOVQQDDAJ-SKXVKYEHSA-N    		 CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4
    nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CC(
    F)(F)C3)CCCCCC=CC2C1; Cc1c(nc2cc(ccc2n1)
    OC)OC3CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3
    )NC(=O)OC6CC(C6)(F)F)C(=O)NS(=O)(=O)C7(C
    C7)C; COc1ccc2nc(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)OC7CC(F)(F)C7)n
    c2c1; 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)OC6CC(C6)(F)F)C(=O)NS(=O)
    (=O)C7(CC7)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)OC7CC(F)(F)C7)nc2c1    		 3,3-difluorocyclobutyl {(2R,4S,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
    45172
    ZJK    		 2 C27 H27 N4 O3 Ru2 InChI=1S/2C13H12N2.CH2O2.
    H2O.2Ru/c2*1-3-7-12(8-4-1
    )14-11-15-13-9-5-2-6-10-1
    3;2-1-3;;;/h2*1-10H,11H2;
    1H2;1H2;;/q3*-2;;+3;+4/p-
    1;
    CVAAOOFKUNUXPY-UHFFFAOYSA-M    		 c1ccc(cc1)N2CN([Ru]34([Ru]2(N(CN3c5ccccc
    5)c6ccccc6)OCO4)O)c7ccccc7; O[Ru]12OCO[R
    u](N(CN1c3ccccc3)c4ccccc4)N(CN2c5ccccc5)
    c6ccccc6    		 1-oxidanyl-6,8,9,11-tetraphenyl-2,4-dioxa-6,8,9,11-tetraza-1$l^{5},5$l^{4}-diruthenatricyclo[3.3.3.0^{1,5}]undecane
    45173
    ZJM    		 2 C38 H49 F N6 O9 S InChI=1S/C38H49FN6O9S/c1-
    22-33(41-29-18-24(52-3)14
    -15-27(29)40-22)53-25-19-
    30-32(46)43-38(35(48)44-5
    5(50,51)37(2)16-17-37)20-
    23(38)10-7-5-4-6-8-12-28(
    34(47)45(30)21-25)42-36(4
    9)54-31-13-9-11-26(31)39/
    h7,10,14-15,18,23,25-26,2
    8,30-31H,4-6,8-9,11-13,16
    -17,19-21H2,1-3H3,(H,42,4
    9)(H,43,46)(H,44,48)/b10-
    7-/t23-,25-,26-,28+,30+,3
    1-,38-/m1/s1;
    TURVLKLYHQZYDB-LRIBJDGDSA-N    		 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]7CCC
    [C@H]7F)nc2c1; COc1ccc2nc(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]7
    CCC[CH]7F)nc2c1; CC1(CC1)S(=O)(=O)NC(=O)
    C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(
    =O)C(NC(=O)OC3CCCC3F)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]6CCC[C@H]6F)C(=O)NS(=O)(=O)C7
    (CC7)C; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)
    NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CCCC
    6F)C(=O)NS(=O)(=O)C7(CC7)C    		 (1R,2R)-2-fluorocyclopentyl {(2R,4S,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
    45174
    ZJN    		 1 C27 H29 N5 O4 InChI=1S/C27H29N5O4/c33-2
    5(28-29-27(35)31-14-12-30
    (13-15-31)26(34)24-11-6-1
    6-36-24)23-17-21-9-4-5-10
    -22(21)19-32(23)18-20-7-2
    -1-3-8-20/h1-11,16,23H,12
    -15,17-19H2,(H,28,33)(H,2
    9,35)/t23-/m0/s1;
    ZZFWUIHEKSLIOC-QHCPKHFHSA-N    		 O=C(NNC(=O)N1CCN(CC1)C(=O)c2occc2)[CH]3C
    c4ccccc4CN3Cc5ccccc5; O=C(N1CCN(CC1)C(=O
    )NNC(=O)C1Cc2ccccc2CN1Cc1ccccc1)c1ccco1;
    c1ccc(cc1)CN2Cc3ccccc3C[C@H]2C(=O)NNC(=
    O)N4CCN(CC4)C(=O)c5ccco5; c1ccc(cc1)CN2C
    c3ccccc3CC2C(=O)NNC(=O)N4CCN(CC4)C(=O)c5
    ccco5; O=C(NNC(=O)N1CCN(CC1)C(=O)c2occc2
    )[C@@H]3Cc4ccccc4CN3Cc5ccccc5    		 (3S)-2-benzyl-N'-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
    45175
    ZJO    		 1 C26 H25 N4 O Ru2 InChI=1S/2C13H12N2.H2O.2R
    u/c2*1-3-7-12(8-4-1)14-11
    -15-13-9-5-2-6-10-13;;;/h
    2*1-10H,11H2;1H2;;/q2*-2;
    ;+2;+3/p-1;
    PDMORHSIDGQFCT-UHFFFAOYSA-M    		 c1ccc(cc1)N2CN([Ru]3([Ru]2N(CN3c4ccccc4)
    c5ccccc5)O)c6ccccc6; O[Ru]1N(CN([Ru]N(CN
    1c2ccccc2)c3ccccc3)c4ccccc4)c5ccccc5    		 1-oxidanyl-2,4,6,8-tetraphenyl-2,4,6,8-tetraza-1$l^{4},5$l^{3}-diruthenabicyclo[3.3.0]octane
    45176
    ZJP
    CHEMBL4076862    		 1 C38 H50 N6 O9 S InChI=1S/C38H50N6O9S/c1-2
    3-33(40-30-19-26(51-3)15-
    16-28(30)39-23)52-27-20-3
    1-32(45)42-38(35(47)43-54
    (49,50)37(2)17-18-37)21-2
    4(38)11-7-5-4-6-8-14-29(3
    4(46)44(31)22-27)41-36(48
    )53-25-12-9-10-13-25/h7,1
    1,15-16,19,24-25,27,29,31
    H,4-6,8-10,12-14,17-18,20
    -22H2,1-3H3,(H,41,48)(H,4
    2,45)(H,43,47)/b11-7-/t24
    -,27-,29+,31+,38-/m1/s1;
    AWCLTDQQVULZEM-UIWVBJMMSA-N    		 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)N4
    C3)NC(=O)OC6CCCC6)C(=O)NS(=O)(=O)C7(CC7)
    C; COc1ccc2nc(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)OC7CCCC7)nc2c1; CO
    c1ccc2nc(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)OC7CCCC7)nc2c
    1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(C
    C5C=CCCCCCC(C(=O)N4C3)NC(=O)OC6CCCC6)C(=
    O)NS(=O)(=O)C7(CC7)C; CC1(CC1)S(=O)(=O)N
    C(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)
    CN3C(=O)C(NC(=O)OC3CCCC3)CCCCCC=CC2C1    		 cyclopentyl {(2R,4S,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
    45177
    ZJR    		 1 C13 H15 N3 O3 InChI=1S/C13H15N3O3/c1-2-
    5-14-13(18)16-8-6-15(7-9-
    16)12(17)11-4-3-10-19-11/
    h1,3-4,10H,5-9H2,(H,14,18
    );
    UBZBLIGDRVMKLZ-UHFFFAOYSA-N    		 C#CCNC(=O)N1CCN(CC1)C(=O)c2ccco2; O=C(NC
    C#C)N1CCN(CC1)C(=O)c2occc2; O=C(N1CCN(CC
    1)C(=O)NCC#C)c1ccco1    		 4-(furan-2-carbonyl)-N-(prop-2-yn-1-yl)piperazine-1-carboxamide
    45178
    ZJS    		 0 C15 H22 N5 O7 P InChI=1S/C15H22N5O7P/c1-8
    (2)3-4-16-13-10-14(18-6-1
    7-13)20(7-19-10)15-12(22)
    11(21)9(27-15)5-26-28(23,
    24)25/h3,6-7,9,11-12,15,2
    1-22H,4-5H2,1-2H3,(H,16,1
    7,18)(H2,23,24,25)/t9-,11
    -,12-,15-/m1/s1;
    DUISZFLWBAPRBR-SDBHATRESA-N    		 C/C(C)=C\CNc1ncnc2c1ncn2C1OC(COP(=O)(O)O
    )C(O)C1O; CC(=CCNc1c2c(ncn1)n(cn2)[C@H]3
    [C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)C
    ; CC(C)=CCNc1ncnc2n(cnc12)[C@@H]3O[C@H](
    CO[P](O)(O)=O)[C@@H](O)[C@H]3O; CC(C)=CC
    Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O
    )[CH](O)[CH]3O; CC(=CCNc1c2c(ncn1)n(cn2)
    C3C(C(C(O3)COP(=O)(O)O)O)O)C    		 N-(3-methylbut-2-en-1-yl)adenosine 5'-(dihydrogen phosphate)
    45179
    ZJT    		 1 C13 H9 F O2 S InChI=1S/C13H9FO2S/c14-9-
    3-4-10-7(5-9)1-2-8-6-11(1
    3(15)16)17-12(8)10/h3-6H,
    1-2H2,(H,15,16);
    JJZNTNSOGADPIT-UHFFFAOYSA-N    		 OC(=O)c1sc2c(CCc3cc(F)ccc23)c1; O=C(O)c1
    cc2CCc3cc(F)ccc3c2s1; c1cc-2c(cc1F)CCc3c
    2sc(c3)C(=O)O    		 (9aP)-7-fluoro-4,5-dihydronaphtho[1,2-b]thiophene-2-carboxylic acid
    45180
    ZJU    		 0 C8 H11 N O7 InChI=1S/C8H11NO7/c10-5(1
    -2-6(11)12)9-4(8(15)16)3-
    7(13)14/h4H,1-3H2,(H,9,10
    )(H,11,12)(H,13,14)(H,15,
    16)/t4-/m0/s1;
    YTMGDVQAVPGKLG-BYPYZUCNSA-N    		 OC(=O)CCC(=O)N[CH](CC(O)=O)C(O)=O; OC(=O
    )CCC(=O)N[C@@H](CC(O)=O)C(O)=O; C(CC(=O)
    O)C(=O)NC(CC(=O)O)C(=O)O    		 N-SUCCINYL-ASPARTIC ACID;
    2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]butanedioic acid
    45181
    ZJV    		 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+/m0/s1;
    RTCPQVJDZHADDP-NOIRXTOFSA-N    		 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; Cc1c(nc2cc(ccc2n1)OC)OC3C
    C4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)
    OC(C)C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C; C
    c1c(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)N4C
    3)NC(=O)O[C@@H](C)C(F)(F)F)C(=O)NS(=O)(=
    O)C6(CC6)C; COc1ccc2nc(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)C1
    2NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O
    )C(NC(=O)OC(C)C(F)(F)F)CCCCCC=CC2C1    		 (2S)-1,1,1-trifluoropropan-2-yl {(2R,4S,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
    45182
    ZJW    		 1 C17 H24 N6 O2 S InChI=1S/C17H24N6O2S/c1-3
    -15-20-19-12-23(15)7-6-18
    -17(25)22-10-8-21(9-11-22
    )16(24)14-5-4-13(2)26-14/
    h4-5,12H,3,6-11H2,1-2H3,(
    H,18,25);
    NDWRURYPGARNEW-UHFFFAOYSA-N    		 CCc1nncn1CCNC(=O)N2CCN(CC2)C(=O)c3ccc(s3
    )C; Cc1ccc(s1)C(=O)N1CCN(CC1)C(=O)NCCn1c
    nnc1CC; CCc1nncn1CCNC(=O)N2CCN(CC2)C(=O)
    c3sc(C)cc3    		 N-[2-(3-ethyl-4H-1,2,4-triazol-4-yl)ethyl]-4-(5-methylthiophene-2-carbonyl)piperazine-1-carboxamide
    45183
    ZJX
    CHEMBL4776940    		 2 C17 H18 Cl F N6 InChI=1S/C17H18ClFN6/c1-1
    7(20)5-7-25(8-6-17)12-9-2
    1-15-14(23-24-16(15)22-12
    )10-3-2-4-11(18)13(10)19/
    h2-4,9H,5-8,20H2,1H3,(H,2
    2,23,24);
    QROQTLNVCIGXBV-UHFFFAOYSA-N    		 CC1(N)CCN(CC1)c2cnc3c([nH]nc3c4cccc(Cl)c
    4F)n2; CC1(N)CCN(CC1)c1nc2[NH]nc(c2nc1)c
    1cccc(Cl)c1F; CC1(CCN(CC1)c2cnc3c(n[nH]c
    3n2)c4cccc(c4F)Cl)N    		 1-[(3P)-3-(3-chloro-2-fluorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine
    45184
    ZJY    		 2 C38 H47 F3 N6 O9 S InChI=1S/C38H47F3N6O9S/c1
    -22-31(43-28-17-24(54-3)1
    1-12-26(28)42-22)56-25-18
    -29-30(48)45-37(33(50)46-
    57(52,53)35(2)13-14-35)19
    -23(37)9-7-5-4-6-8-10-27(
    32(49)47(29)20-25)44-34(5
    1)55-21-36(15-16-36)38(39
    ,40)41/h7,9,11-12,17,23,2
    5,27,29H,4-6,8,10,13-16,1
    8-21H2,1-3H3,(H,44,51)(H,
    45,48)(H,46,50)/b9-7-/t23
    -,25-,27+,29+,37-/m1/s1;
    OIRPWGZAWBASNA-RVJOZYONSA-N    		 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)N4
    C3)NC(=O)OCC6(CC6)C(F)(F)F)C(=O)NS(=O)(=
    O)C7(CC7)C; CC1(CC1)S(=O)(=O)NC(=O)C12NC
    (=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(
    NC(=O)OCC3(CC3)C(F)(F)F)CCCCCC=CC2C1; 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)OCC7(CC7)C(F)(F)F)nc2c1
    ; 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)OCC7(CC7)
    C(F)(F)F)nc2c1; Cc1c(nc2cc(ccc2n1)OC)OC3
    CC4C(=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O
    )OCC6(CC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7
    )C    		 [1-(trifluoromethyl)cyclopropyl]methyl {(2R,4S,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
    45185
    ZJZ    		 1 C14 H12 Cl N4 Pt S InChI=1S/C14H12ClN4S.Pt/c
    15-10-6-7-12(16)11(8-10)1
    3(18-19-14(17)20)9-4-2-1-
    3-5-9;/h1-4,6-8H,16H2,(H3
    ,17,19,20);/b18-13-;;
    QEUVFWYAJJGIQM-AAKIMCHBSA-N    		 c1ccc2c(c1)C(=[N]3[Pt]2[S]=C(N3)N)c4cc(c
    cc4N)Cl; NC(=S)NN=C(c1cc(Cl)ccc1N)c2cccc
    c2[Pt]    		 7-(2-azanyl-5-chloranyl-phenyl)-3$l^{3}-thia-5,6$l^{4}-diaza-2$l^{3}-platinatricyclo[6.4.0.0^{2,6}]dodeca-1(12),3,6,8,10-pentaen-4-amine
    45186
    ZK0    		 1 C21 H30 N4 O2 InChI=1S/C21H30N4O2/c1-14
    -21(5,6)16-13-15(7-8-17(1
    6)22-14)18(26)24-9-11-25(
    12-10-24)19(27)23-20(2,3)
    4/h7-8,13H,9-12H2,1-6H3,(
    H,23,27);
    ZJOHJOMXKQVDCT-UHFFFAOYSA-N    		 O=C(NC(C)(C)C)N1CCN(CC1)C(=O)c1ccc2N=C(C
    )C(C)(C)c2c1; CC1=Nc2ccc(cc2C1(C)C)C(=O)
    N3CCN(CC3)C(=O)NC(C)(C)C    		 N-tert-butyl-4-(2,3,3-trimethyl-3H-indole-5-carbonyl)piperazine-1-carboxamide
    45187
    ZK1
    CHEMBL19892
    DB12393
    ZINC000002004553    		 157 C14 H15 F3 N3 O6 P InChI=1S/C14H15F3N3O6P/c1
    5-14(16,17)8-5-9-11(6-10(
    8)19-1-3-26-4-2-19)20(7-2
    7(23,24)25)13(22)12(21)18
    -9/h5-6H,1-4,7H2,(H,18,21
    )(H2,23,24,25);
    WZMQMKNCWDCCMT-UHFFFAOYSA-N    		 O[P](O)(=O)CN1C(=O)C(=O)Nc2cc(c(cc12)N3C
    COCC3)C(F)(F)F; c1c(c(cc2c1NC(=O)C(=O)N2
    CP(=O)(O)O)N3CCOCC3)C(F)(F)F    		 {[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-3,4-dihydroquinoxalin-1(2H)-yl]methyl}phosphonic acid;
    [[3,4-Dihydro-7-(4-morpholinyl)-2,3-dioxo-6-(trifluorom ethyl)-1(2H)-quinoxalinyl]methyl]phosphonic acid
    45188
    ZK2
    ZINC000000896724    		 0 C8 H10 O InChI=1S/C8H10O/c1-7-4-2-
    3-5-8(7)6-9/h2-5,9H,6H2,1
    H3;
    XPNGNIFUDRPBFJ-UHFFFAOYSA-N    		 Cc1ccccc1CO (2-methylphenyl)methanol
    45189
    ZK4    		 2 C40 H51 F3 N6 O9 S InChI=1S/C40H51F3N6O9S/c1
    -23-34(45-30-19-26(56-3)1
    5-16-28(30)44-23)57-27-20
    -31-33(50)47-39(36(52)48-
    59(54,55)38(2)17-18-38)21
    -25(39)13-7-5-4-6-8-14-29
    (35(51)49(31)22-27)46-37(
    53)58-32(40(41,42)43)24-1
    1-9-10-12-24/h7,13,15-16,
    19,24-25,27,29,31-32H,4-6
    ,8-12,14,17-18,20-22H2,1-
    3H3,(H,46,53)(H,47,50)(H,
    48,52)/b13-7-/t25-,27-,29
    +,31+,32-,39-/m1/s1;
    NIVLDUFKSNQSFW-FKWQUPSWSA-N    		 COc1ccc2nc(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](C7CCCC7)C(F)(F)
    F)nc2c1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O
    )NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OC(C6C
    CCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7)C; C
    C1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4n
    c5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C3CC
    CC3)C(F)(F)F)CCCCCC=CC2C1; 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](C7CCCC7)C(F)(F)F)
    nc2c1; 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](C6CCCC6)C(F)(F)F)
    C(=O)NS(=O)(=O)C7(CC7)C    		 (1R)-1-cyclopentyl-2,2,2-trifluoroethyl {(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
    45190
    ZK5
    CHEMBL1201388
    DB00687
    ZINC000004097304    		 1 C21 H29 F O5 InChI=1S/C21H29FO5/c1-18-
    7-5-13(24)9-12(18)3-4-15-
    14-6-8-20(27,17(26)11-23)
    19(14,2)10-16(25)21(15,18
    )22/h9,14-16,23,25,27H,3-
    8,10-11H2,1-2H3/t14-,15-,
    16-,18-,19-,20-,21-/m0/s1;
    AAXVEMMRQDVLJB-BULBTXNYSA-N    		 O=C(CO)C3(O)C2(CC(O)C4(F)C1(C(=CC(=O)CC1
    )CCC4C2CC3)C)C; C[C@]12C[C@H](O)[C@@]3(F
    )[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C
    @]2(O)C(=O)CO; C[C@]12CCC(=O)C=C1CC[C@@H
    ]3[C@@]2([C@H](C[C@]4([C@H]3CC[C@@]4(C(=
    O)CO)O)C)O)F; CC12CCC(=O)C=C1CCC3C2(C(CC
    4(C3CCC4(C(=O)CO)O)C)O)F; C[C]12C[CH](O)
    [C]3(F)[CH](CCC4=CC(=O)CC[C]34C)[CH]1CC[
    C]2(O)C(=O)CO    		 9ALPHA-FLUOROCORTISOL
    45191
    ZK6
    ZINC000002561796    		 1 C16 H17 N3 O3 InChI=1S/C16H17N3O3/c20-1
    5(14-7-4-12-22-14)18-8-10
    -19(11-9-18)16(21)17-13-5
    -2-1-3-6-13/h1-7,12H,8-11
    H2,(H,17,21);
    DWSQSPVNNSEKBI-UHFFFAOYSA-N    		 c1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)c3ccco3;
    O=C(N1CCN(CC1)C(=O)Nc1ccccc1)c1ccco1; O=
    C(Nc1ccccc1)N2CCN(CC2)C(=O)c3occc3    		 4-(furan-2-carbonyl)-N-phenylpiperazine-1-carboxamide
    45192
    ZK7    		 2 C38 H47 F3 N6 O9 S InChI=1S/C38H47F3N6O9S/c1
    -22-31(43-28-18-24(54-3)1
    2-13-26(28)42-22)55-25-19
    -29-30(48)45-37(33(50)46-
    57(52,53)35(2)16-17-35)20
    -23(37)10-7-5-4-6-8-11-27
    (32(49)47(29)21-25)44-34(
    51)56-36(14-9-15-36)38(39
    ,40)41/h7,10,12-13,18,23,
    25,27,29H,4-6,8-9,11,14-1
    7,19-21H2,1-3H3,(H,44,51)
    (H,45,48)(H,46,50)/b10-7-
    /t23-,25-,27+,29+,37-/m1/
    s1;
    RXAPCCHAKDPLNB-ZEJZJNHJSA-N    		 CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4
    nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3(CC
    C3)C(F)(F)F)CCCCCC=CC2C1; 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)OC7(CCC7)C(F)(F)F)nc2c1;
    Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C
    =CCCCCCC(C(=O)N4C3)NC(=O)OC6(CCC6)C(F)(F
    )F)C(=O)NS(=O)(=O)C7(CC7)C; COc1ccc2nc(C
    )c(O[CH]3C[CH]4N(C3)C(=O)[CH](CCCCCC=C[C
    H]5C[C]5(NC4=O)C(=O)N[S](=O)(=O)C6(C)CC6
    )NC(=O)OC7(CCC7)C(F)(F)F)nc2c1; Cc1c(nc2
    cc(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
    )OC6(CCC6)C(F)(F)F)C(=O)NS(=O)(=O)C7(CC7
    )C    		 1-(trifluoromethyl)cyclobutyl {(2R,4S,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
    45193
    ZK8    		 8 C16 H21 N2 O4 P InChI=1S/C16H21N2O4P/c1-2
    -3-4-5-12-23(20,21)22-14-
    9-7-11-18-16(14)15-13(19)
    8-6-10-17-15/h6-11,19H,2-
    5,12H2,1H3,(H,20,21);
    QYCWYIQRYAMGGW-UHFFFAOYSA-N    		 CCCCCC[P@@](=O)(O)Oc1cccnc1c2c(cccn2)O;
    CCCCCC[P](O)(=O)Oc1cccnc1c2ncccc2O; CCCC
    CCP(=O)(O)Oc1cccnc1c2c(cccn2)O    		 hexyl-[2-(3-oxidanylpyridin-2-yl)pyridin-3-yl]oxy-phosphinic acid
    45194
    ZK9    		 0 C20 H20 F2 N4 O2 InChI=1S/C20H18F2N4O2/c1-
    11-16(21)19(27-14-6-2-4-1
    2(8-14)10-23)26-20(17(11)
    22)28-15-7-3-5-13(9-15)18
    (24)25/h2-9H,10,23H2,1H3,
    (H3,24,25)/p+2;
    GJHKKJHVSXUANP-UHFFFAOYSA-P    		 Cc1c(c(nc(c1F)Oc2cccc(c2)C(=[NH2+])N)Oc3
    cccc(c3)C[NH3+])F; Cc1c(F)c(Oc2cccc(C[NH
    3+])c2)nc(Oc3cccc(c3)C(N)=[NH2+])c1F; Fc
    3c(Oc1cc(C(=[NH2+])\N)ccc1)nc(Oc2cccc(c2
    )C[NH3+])c(F)c3C    		 [3-AMINOMETHYLPHENYL-OXY-]-[BENZAMIDIN-3-YLOXY]-3,5-DIFLUORO-4-METHYL-PYRIDINE;
    ZK-806299
    45195
    ZKA    		 2 C38 H50 N6 O9 S InChI=1S/C38H50N6O9S/c1-2
    3-32(40-29-18-25(51-4)12-
    13-27(29)39-23)53-26-19-3
    0-31(45)42-38(34(47)43-54
    (49,50)37(3)16-17-37)20-2
    4(38)10-8-6-5-7-9-11-28(3
    3(46)44(30)21-26)41-35(48
    )52-22-36(2)14-15-36/h8,1
    0,12-13,18,24,26,28,30H,5
    -7,9,11,14-17,19-22H2,1-4
    H3,(H,41,48)(H,42,45)(H,4
    3,47)/b10-8-/t24-,26-,28+
    ,30+,38-/m1/s1;
    FVAHUZNNBVVCMP-ZJYMAAHDSA-N    		 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)N4
    C3)NC(=O)OCC6(CC6)C)C(=O)NS(=O)(=O)C7(CC
    7)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)OCC7(C
    )CC7)nc2c1; Cc1c(nc2cc(ccc2n1)OC)OC3CC4C
    (=O)NC5(CC5C=CCCCCCC(C(=O)N4C3)NC(=O)OCC
    6(CC6)C)C(=O)NS(=O)(=O)C7(CC7)C; CC1(CC1
    )S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(O
    C)ccc5nc4C)CN3C(=O)C(NC(=O)OCC3(C)CC3)CC
    CCCC=CC2C1; COc1ccc2nc(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)OCC7(C)CC
    7)nc2c1    		 (1-methylcyclopropyl)methyl {(2R,4S,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
    45196
    ZKC    		 1 C22 H28 N4 O5 InChI=1S/C22H28N4O5/c1-22
    (2,3)31-21(29)24-17-7-4-6
    -16(14-17)15-23-20(28)26-
    11-9-25(10-12-26)19(27)18
    -8-5-13-30-18/h4-8,13-14H
    ,9-12,15H2,1-3H3,(H,23,28
    )(H,24,29);
    BHKADWPHBGQYGQ-UHFFFAOYSA-N    		 O=C(N1CCN(CC1)C(=O)NCc1cccc(NC(=O)OC(C)(
    C)C)c1)c1ccco1; CC(C)(C)OC(=O)Nc1cccc(c1
    )CNC(=O)N2CCN(CC2)C(=O)c3ccco3; CC(C)(C)
    OC(=O)Nc1cccc(CNC(=O)N2CCN(CC2)C(=O)c3oc
    cc3)c1    		 tert-butyl [3-({[4-(furan-2-carbonyl)piperazine-1-carbonyl]amino}methyl)phenyl]carbamate
    45197
    ZKD    		 1 C17 H27 N3 O16 P2 S InChI=1S/C17H27N3O16P2S/c
    1-6(22)18-10-13(26)11(24)
    7(4-21)35-16(10)39-38(31,
    32)36-37(29,30)33-5-8-12(
    25)14(27)15(34-8)20-3-2-9
    (23)19-17(20)28/h2-3,7-8,
    10-16,21,24-27H,4-5H2,1H3
    ,(H,18,22)(H,29,30)(H,31,
    32)(H,19,23,28)/t7-,8-,10
    +,11-,12-,13-,14-,15-,16-
    /m1/s1;
    NBABRWVWQSKDQY-ZYQOOJPVSA-N    		 O=P(SC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)
    (O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O; CC(=O
    )NC1[C@H]([C@@H]([C@H](O[C@@H]1S[P@@](=O
    )(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@
    @H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O; CC(=O
    )N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1S[P](
    O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH
    ]2O)N3C=CC(=O)NC3=O; CC(=O)NC1C(C(C(OC1S
    P(=O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)
    NC3=O)O)O)CO)O)O; CC(=O)N[C@H]1[C@@H](O)
    [C@H](O)[C@@H](CO)O[C@@H]1S[P](O)(=O)O[P
    ](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)
    N3C=CC(=O)NC3=O    		 URIDINE-DIPHOSPHATE-1-DEOXY-1-THIO-N-ACETYLGLUCOSAMINE
    45198
    ZKE    		 3 C27 H46 N7 O20 P3 S InChI=1S/C27H46N7O20P3S/c
    1-26(2,21(40)24(41)30-5-4
    -15(35)29-6-7-58-17(38)9-
    27(3,42)8-16(36)37)11-51-
    57(48,49)54-56(46,47)50-1
    0-14-20(53-55(43,44)45)19
    (39)25(52-14)34-13-33-18-
    22(28)31-12-32-23(18)34/h
    12-14,17,19-21,25,38-40,4
    2H,4-11H2,1-3H3,(H,29,35)
    (H,30,41)(H,36,37)(H,46,4
    7)(H,48,49)(H2,28,31,32)(
    H2,43,44,45)/t14-,17-,19-
    ,20-,21+,25-,27+/m1/s1;
    RGCJQGNQJYHPPZ-NLYQEGKRSA-N    		 C[C](O)(C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)
    C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[C
    H]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)nc
    nc23)CC(O)=O; C[C@@](O)(C[C@H](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)CC(O)=O; CC(
    C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc
    3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NC
    CSC(CC(C)(CC(=O)O)O)O)O; C[C@@](C[C@H](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](O
    1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)(CC(=O)O
    )O; O=C(O)CC(C)(O)CC(O)SCCNC(=O)CCNC(=O)
    C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC1OC(n2c
    nc3c(N)ncnc32)C(O)C1OP(=O)(O)O    		 Mevaldyl-Coenzyme A;
    (3R,5R,9R,19R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9,19,21-pentahydroxy-8,8,21-trimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3lambda~5~,5lambda~5~-diphosphatricosan-23-oic acid (non-preferred name)
    45199
    ZKG    		 2 O39 P W11 Zr InChI=1S/HO4P.35O.11W.Zr/
    c1-5(2,3)4;;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;/h5H;;;;;;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;;;;;
    ;;;;;;;;;
    NBVITJPYFSGCOJ-UHFFFAOYSA-N    		 O=[W]123O[Zr]45O[W]67(=O)(O[PH]89[O]%10%
    11[W]%12%13(=O)(O4)O[W]%14%15(=O)(O5)O[W
    ]%16%17(=O)(O6)O[W]%18%19(=O)(O7)O[W]%20
    %21(=O)(O1)O[W]%10(=O)(O2)(O%12)O[W]%11%
    22(=O)(O%13)O[W](=O)(O%14)(O%16)(O[W](=O
    )(O%20)(O%18)(O%22)[O]8%19%21)[O]9%15%17
    )O3; O=[W]1234O[Zr]56O[W]78(=O)(O1)O2P91
    O2%10[W]%11%12(=O)(O5)O[W]5%13(=O)(O6)O9
    6[W]9(=O)(O7)(O5)O[W]57(=O)(O8)O11[W]8(=
    O)(O3)(O5)O[W]2(=O)(O4)(O%11)O[W]%102(=O
    )(O%12)O[W]6(=O)(O%13)(O9)O[W]1(=O)(O8)(
    O7)O2    		 ZIRCONIUM(IV) PHOSPHOTUNGSTATE KEGGIN
    45200
    ZKH    		 1 C13 H19 N3 O3 S InChI=1S/C13H19N3O3S/c1-1
    9-9-4-14-13(18)16-7-5-15(
    6-8-16)12(17)11-3-2-10-20
    -11/h2-3,10H,4-9H2,1H3,(H
    ,14,18);
    QKXFZIVPIBBCQA-UHFFFAOYSA-N    		 COCCNC(=O)N1CCN(CC1)C(=O)c2sccc2; COCCNC
    (=O)N1CCN(CC1)C(=O)c2cccs2; O=C(N1CCN(CC
    1)C(=O)NCCOC)c1cccs1    		 N-(2-methoxyethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
    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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