Home Research COVID-19 Services Publications People Teaching Job Opening News Forum --> -->
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

  • Click # to view 2D diagram of the ligand.
  • 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 ";".

    • << < 210 211 212 213 214 215 216 217 218 219 220 221 222 > >>
    Go to page
    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    43801
    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
    43802
    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
    43803
    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
    43804
    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
    43805
    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
    43806
    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
    43807
    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
    43808
    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
    43809
    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
    43810
    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
    43811
    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
    43812
    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
    43813
    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))
    43814
    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
    43815
    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
    43816
    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
    43817
    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
    43818
    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
    43819
    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
    43820
    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
    43821
    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
    43822
    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
    43823
    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
    43824
    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
    43825
    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
    43826
    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
    43827
    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
    43828
    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
    43829
    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
    43830
    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
    43831
    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
    43832
    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
    43833
    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
    43834
    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
    43835
    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
    43836
    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
    43837
    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
    43838
    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
    43839
    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
    43840
    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
    43841
    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
    43842
    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
    43843
    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
    43844
    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
    43845
    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
    43846
    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
    43847
    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
    43848
    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
    43849
    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
    43850
    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
    43851
    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
    43852
    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
    43853
    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
    43854
    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
    43855
    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
    43856
    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
    43857
    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
    43858
    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
    43859
    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
    43860
    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
    43861
    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
    43862
    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
    43863
    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
    43864
    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
    43865
    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
    43866
    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
    43867
    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
    43868
    ZIR
    CHEMBL452867
    DB11933
    ZINC000000057125    		 2 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
    43869
    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
    43870
    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
    43871
    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
    43872
    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
    43873
    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
    43874
    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
    43875
    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
    43876
    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
    43877
    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
    43878
    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
    43879
    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
    43880
    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
    43881
    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
    43882
    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
    43883
    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
    43884
    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
    43885
    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
    43886
    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
    43887
    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
    43888
    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
    43889
    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
    43890
    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
    43891
    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
    43892
    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
    43893
    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
    43894
    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
    43895
    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
    43896
    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)
    43897
    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
    43898
    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
    43899
    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
    43900
    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
    43901
    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
    43902
    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
    43903
    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
    43904
    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
    43905
    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
    43906
    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
    43907
    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
    43908
    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
    43909
    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
    43910
    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
    43911
    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
    43912
    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
    43913
    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
    43914
    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
    43915
    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
    43916
    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)
    43917
    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
    43918
    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
    43919
    ZKJ    		 2 C36 H45 F3 N6 O9 S InChI=1S/C36H45F3N6O9S/c1
    -20-30(41-27-16-23(52-4)1
    2-13-25(27)40-20)54-24-17
    -28-29(46)43-35(32(48)44-
    55(50,51)34(3)14-15-34)18
    -22(35)10-8-6-5-7-9-11-26
    (31(47)45(28)19-24)42-33(
    49)53-21(2)36(37,38)39/h8
    ,10,12-13,16,21-22,24,26,
    28H,5-7,9,11,14-15,17-19H
    2,1-4H3,(H,42,49)(H,43,46
    )(H,44,48)/b10-8-/t21-,22
    -,24-,26+,28+,35-/m1/s1;
    RTCPQVJDZHADDP-XVMCOVDDSA-N    		 Cc1c(nc2cc(ccc2n1)OC)OC3CC4C(=O)NC5(CC5C
    =CCCCCCC(C(=O)N4C3)NC(=O)OC(C)C(F)(F)F)C
    (=O)NS(=O)(=O)C6(CC6)C; COc1ccc2nc(C)c(O
    [C@@H]3C[C@@H]4N(C3)C(=O)[C@H](CCCCC\C=C
    /[C@@H]5C[C@]5(NC4=O)C(=O)N[S](=O)(=O)C6
    (C)CC6)NC(=O)O[C@H](C)C(F)(F)F)nc2c1; CO
    c1ccc2nc(C)c(O[CH]3C[CH]4N(C3)C(=O)[CH](
    CCCCCC=C[CH]5C[C]5(NC4=O)C(=O)N[S](=O)(=
    O)C6(C)CC6)NC(=O)O[CH](C)C(F)(F)F)nc2c1;
    CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc
    4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C)
    C(F)(F)F)CCCCCC=CC2C1; Cc1c(nc2cc(ccc2n1
    )OC)O[C@@H]3C[C@H]4C(=O)N[C@@]5(C[C@H]5/
    C=C\CCCCC[C@@H](C(=O)N4C3)NC(=O)O[C@H](C
    )C(F)(F)F)C(=O)NS(=O)(=O)C6(CC6)C    		 (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate
    43920
    ZKK
    ZINC000198087977    		 2 C26 H42 N7 O19 P3 S InChI=1S/C26H42N7O19P3S/c
    1-13(8-16(35)36)25(40)56-
    7-6-28-15(34)4-5-29-23(39
    )20(38)26(2,3)10-49-55(46
    ,47)52-54(44,45)48-9-14-1
    9(51-53(41,42)43)18(37)24
    (50-14)33-12-32-17-21(27)
    30-11-31-22(17)33/h11-14,
    18-20,24,37-38H,4-10H2,1-
    3H3,(H,28,34)(H,29,39)(H,
    35,36)(H,44,45)(H,46,47)(
    H2,27,30,31)(H2,41,42,43)
    /t13-,14+,18+,19+,20-,24+
    /m0/s1;
    OUFHQHVVFSERRI-VKBDFPRVSA-N    		 C[C@@H](CC(O)=O)C(=O)SCCNC(=O)CCNC(=O)[C
    @H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C
    @H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n
    2cnc3c(N)ncnc23; C[CH](CC(O)=O)C(=O)SCCN
    C(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O
    [P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](
    O)(O)=O)n2cnc3c(N)ncnc23; CC(CC(=O)O)C(=
    O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP
    (=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(
    =O)(O)O)O; C[C@@H](CC(=O)O)C(=O)SCCNC(=O
    )CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(
    O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c
    2ncnc3N)O)OP(=O)(O)O)O    		 (2S)-Methylsuccinyl-CoA;
    (3S)-4-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-3-methyl-4-oxidanylidene-butanoic acid
    43921
    ZKL    		 1 C15 H23 N3 O3 InChI=1S/C15H23N3O3/c1-3-
    4-7-16-15(20)18-9-8-17(11
    -12(18)2)14(19)13-6-5-10-
    21-13/h5-6,10,12H,3-4,7-9
    ,11H2,1-2H3,(H,16,20)/t12
    -/m1/s1;
    HESHQILVHQSCOB-GFCCVEGCSA-N    		 CCCCNC(=O)N1CCN(C[C@@H]1C)C(=O)c2occc2;
    CCCCNC(=O)N1CCN(C[C@@H]1C)C(=O)c2ccco2;
    O=C(N1CCN(C(=O)NCCCC)C(C)C1)c1ccco1; CCC
    CNC(=O)N1CCN(C[CH]1C)C(=O)c2occc2; CCCCN
    C(=O)N1CCN(CC1C)C(=O)c2ccco2    		 (2R)-N-butyl-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
    43922
    ZKM
    ZINC000085587916    		 4 C40 H77 N O11 S InChI=1S/C40H77NO11S/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-34(43)33(32-5
    0-40-38(46)39(52-53(47,48
    )49)37(45)35(31-42)51-40)
    41-36(44)30-28-26-24-22-2
    0-18-16-14-12-10-8-6-4-2/
    h27,29,33-35,37-40,42-43,
    45-46H,3-26,28,30-32H2,1-
    2H3,(H,41,44)(H,47,48,49)
    /b29-27+/t33-,34+,35+,37-
    ,38+,39-,40+/m0/s1;
    CJGVDSGIQZDLDO-PHLJAKBWSA-N    		 CCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@@H]1O[C
    @H](CO)[C@H](O)[C@H](O[S](O)(=O)=O)[C@H]
    1O)[C@H](O)/C=C/CCCCCCCCCCCCC; CCCCCCCCC
    CCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)OS(=O)
    (=O)O)O)C(C=CCCCCCCCCCCCCC)O; CCCCCCCCCC
    CCC\C=C\C(O)C(COC1OC(CO)C(O)C(OS(=O)(=O)
    O)C1O)NC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCC
    CCCCC(=O)N[C@@H](CO[C@H]1[C@@H]([C@H]([C
    @H]([C@H](O1)CO)O)OS(=O)(=O)O)O)[C@@H](/
    C=C/CCCCCCCCCCCCC)O; CCCCCCCCCCCCCCCC(=O
    )N[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O[S](
    O)(=O)=O)[CH]1O)[CH](O)C=CCCCCCCCCCCCCC    		 N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]-hexadecanamide
    43923
    ZKO    		 0 C9 H14 N2 O6 InChI=1S/C9H14N2O6/c10-6(
    12)2-1-5(9(16)17)11-7(13)
    3-4-8(14)15/h5H,1-4H2,(H2
    ,10,12)(H,11,13)(H,14,15)
    (H,16,17)/t5-/m0/s1;
    RLYZAJHMBJUMAP-YFKPBYRVSA-N    		 C(CC(=O)N)C(C(=O)O)NC(=O)CCC(=O)O; NC(=O
    )CC[CH](NC(=O)CCC(O)=O)C(O)=O; NC(=O)CC[
    C@H](NC(=O)CCC(O)=O)C(O)=O    		 N-SUCCINYL-GLUTAMINE;
    5-azanyl-5-oxidanylidene-2-[(4-oxidanyl-4-oxidanylidene-butanoyl)amino]pentanoic acid
    43924
    ZKP    		 2 C H3 Fe3 S4 InChI=1S/CH3S.3Fe.3S/c1-2
    ;;;;;;/h1H3;;;;;;;
    NMYMZQNZHUHIMW-UHFFFAOYSA-N    		 C[S]1[Fe]2S[Fe]3[S]2[Fe]1S3; CS[Fe]1S[Fe
    ]S[Fe]S1    		 FE3-S4 methylated cluster
    43925
    ZKQ    		 1 C16 H16 F N3 O3 InChI=1S/C16H16FN3O3/c17-
    12-4-1-2-5-13(12)18-16(22
    )20-9-7-19(8-10-20)15(21)
    14-6-3-11-23-14/h1-6,11H,
    7-10H2,(H,18,22);
    DRSQTYLODSUBKE-UHFFFAOYSA-N    		 O=C(N1CCN(CC1)C(=O)Nc1ccccc1F)c1ccco1; c
    1ccc(c(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3)F
    ; Fc1ccccc1NC(=O)N2CCN(CC2)C(=O)c3occc3    		 N-(2-fluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
    43926
    ZKR    		 7 C5 H4 B F3 O2 S InChI=1S/C5H4BF3O2S/c7-5(
    8,9)3-1-2-4(12-3)6(10)11/
    h1-2,10-11H;
    NHBZQJOZVBHDAZ-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(s1)B(O)O; OB(O)c1sc(cc1)C(
    F)(F)F; B(c1ccc(s1)C(F)(F)F)(O)O    		 [5-(trifluoromethyl)thiophen-2-yl]boronic acid
    43927
    ZKS
    CHEMBL1242023
    ZINC000095615598    		 2 C6 H19 O27 P7 InChI=1S/C6H19O27P7/c7-34
    (8,9)27-1-2(28-35(10,11)1
    2)4(30-37(16,17)18)6(32-4
    0(25,26)33-39(22,23)24)5(
    31-38(19,20)21)3(1)29-36(
    13,14)15/h1-6H,(H,25,26)(
    H2,7,8,9)(H2,10,11,12)(H2
    ,13,14,15)(H2,16,17,18)(H
    2,19,20,21)(H2,22,23,24)/
    t1-,2-,3-,4+,5-,6-/m1/s1;
    UPHPWXPNZIOZJL-XCMZKKERSA-N    		 O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](
    O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=
    O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; C
    1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)
    (O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=
    O)(O)O; O[P](O)(=O)O[C@H]1[C@@H](O[P](O)
    (O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(
    =O)O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@@
    H]1O[P](O)(O)=O; [C@@H]1([C@H](C([C@H]([
    C@@H](C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
    )OP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O
    )O; O=P(O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)
    O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O
    P(=O)(O)O    		 (1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
    43928
    ZKU    		 1 C15 H16 N4 O3 InChI=1S/C15H16N4O3/c20-1
    4(12-4-3-11-22-12)18-7-9-
    19(10-8-18)15(21)17-13-5-
    1-2-6-16-13/h1-6,11H,7-10
    H2,(H,16,17,21);
    KPHBWCVSZXZCHM-UHFFFAOYSA-N    		 O=C(Nc1ccccn1)N2CCN(CC2)C(=O)c3occc3; O=
    C(N1CCN(CC1)C(=O)Nc1ccccn1)c1ccco1; c1cc
    nc(c1)NC(=O)N2CCN(CC2)C(=O)c3ccco3    		 4-(furan-2-carbonyl)-N-(pyridin-2-yl)piperazine-1-carboxamide
    43929
    ZKV    		 1 C20 H22 Cl F2 N3 O InChI=1S/C20H22ClF2N3O/c1
    -14-2-4-16(25-11-14)12-24
    -13-20(23)6-8-26(9-7-20)1
    9(27)15-3-5-18(22)17(21)1
    0-15/h2-5,10-11,24H,6-9,1
    2-13H2,1H3;
    PKZXLMVXBZICTF-UHFFFAOYSA-N    		 Cc1ccc(CNCC2(F)CCN(CC2)C(=O)c3ccc(F)c(Cl
    )c3)nc1; Cc1ccc(nc1)CNCC2(CCN(CC2)C(=O)c
    3ccc(c(c3)Cl)F)F    		 (3-chloranyl-4-fluoranyl-phenyl)-[4-fluoranyl-4-[[(5-methylpyridin-2-yl)methylamino]methyl]piperidin-1-yl]methanone
    43930
    ZKW
    CHEMBL4561845
    ZINC000004808502    		 2 C12 H8 Cl2 N2 O4 InChI=1S/C12H8Cl2N2O4/c13
    -7-2-1-6(8(14)3-7)5-16-10
    (12(19)20)4-9(15-16)11(17
    )18/h1-4H,5H2,(H,17,18)(H
    ,19,20);
    FIUGGBBCGGFVRL-UHFFFAOYSA-N    		 c1cc(c(cc1Cl)Cl)Cn2c(cc(n2)C(=O)O)C(=O)O
    ; OC(=O)c1cc(n(Cc2ccc(Cl)cc2Cl)n1)C(O)=O
    ; O=C(O)c1cc(nn1Cc2c(Cl)cc(Cl)cc2)C(=O)O    		 1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic acid
    43931
    ZKZ    		 1 C18 H21 N3 O4 InChI=1S/C18H21N3O4/c1-19
    -18(23)21-11-9-20(10-12-2
    1)17(22)16-8-7-15(25-16)1
    3-24-14-5-3-2-4-6-14/h2-8
    H,9-13H2,1H3,(H,19,23);
    QBRVSAXGTOEUNH-UHFFFAOYSA-N    		 CNC(=O)N1CCN(CC1)C(=O)c2oc(COc3ccccc3)cc
    2; CNC(=O)N1CCN(CC1)C(=O)c1ccc(COc2ccccc
    2)o1; CNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)COc
    3ccccc3    		 N-methyl-4-[5-(phenoxymethyl)furan-2-carbonyl]piperazine-1-carboxamide
    43932
    ZL1
    CHEMBL4455682    		 2 C27 H20 F2 N4 O4 InChI=1S/C27H20F2N4O4/c28
    -17-5-8-19(9-6-17)33-13-1
    -2-21(27(33)36)26(35)31-1
    8-7-10-23(22(29)14-18)37-
    20-11-12-30-24(15-20)32-2
    5(34)16-3-4-16/h1-2,5-16H
    ,3-4H2,(H,31,35)(H,30,32,
    34);
    UFWJGUUHERHCOL-UHFFFAOYSA-N    		 O=C(Nc1nccc(c1)Oc1ccc(cc1F)NC(=O)C1=CC=C
    N(c2ccc(F)cc2)C1=O)C1CC1; c1cc(ccc1N2C=C
    C=C(C2=O)C(=O)Nc3ccc(c(c3)F)Oc4ccnc(c4)N
    C(=O)C5CC5)F; Fc1ccc(cc1)N2C=CC=C(C(=O)N
    c3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)C2=O    		 N-[4-({2-[(cyclopropanecarbonyl)amino]pyridin-4-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxamide
    43933
    ZL3    		 1 C14 H21 N3 O3 InChI=1S/C14H21N3O3/c1-10
    (2)15-14(19)16-6-7-17(11(
    3)9-16)13(18)12-5-4-8-20-
    12/h4-5,8,10-11H,6-7,9H2,
    1-3H3,(H,15,19)/t11-/m1/s
    1;
    VFOPSAKXHHWNTF-LLVKDONJSA-N    		 CC1CN(CCN1C(=O)c2ccco2)C(=O)NC(C)C; CC(C
    )NC(=O)N1CCN([CH](C)C1)C(=O)c2occc2; CC(
    C)NC(=O)N1CCN([C@@H](C)C1)C(=O)c2occc2;
    O=C(N1CCN(CC1C)C(=O)NC(C)C)c1ccco1; C[C@
    H]1CN(CCN1C(=O)c2ccco2)C(=O)NC(C)C    		 (3R)-4-(furan-2-carbonyl)-3-methyl-N-(propan-2-yl)piperazine-1-carboxamide
    43934
    ZL4    		 3 C37 H54 N5 O4 InChI=1S/C37H53N5O4/c1-2-
    37(45,46)16-9-7-8-12-31-3
    3-38-26-32(39-33)28-13-14
    -29-27(24-28)15-21-42(35(
    29)44)20-11-6-4-3-5-10-19
    -41-22-17-36(18-23-41)25-
    30(36)34(43)40-31/h13-15,
    21,24,26,30-31,45-46H,2-1
    2,16-20,22-23,25H2,1H3,(H
    2,38,39,40,43,44)/p+1/t30
    -,31+/m1/s1;
    RPBUYCMDTDPYHG-JSOSNVBQSA-O    		 CCC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccc4c(c3)c
    c[n+](c4O)CCCCCCCCN5CCC6(CC5)C[C@@H]6C(=
    O)N1)(O)O; CCC(O)(O)CCCCCC1NC(=O)C2CC32C
    CN(CCCCCCCC[n+]2ccc4cc(ccc4c2O)c2cnc1[NH
    ]2)CC3; CCC(O)(O)CCCCC[CH]1NC(=O)[CH]2CC
    23CCN(CCCCCCCC[n+]4ccc5cc(ccc5c4O)c6[nH]
    c1nc6)CC3; CCC(CCCCCC1c2[nH]c(cn2)-c3ccc
    4c(c3)cc[n+](c4O)CCCCCCCCN5CCC6(CC5)CC6C
    (=O)N1)(O)O; CCC(O)(O)CCCCC[C@@H]1NC(=O)
    [C@H]2CC23CCN(CCCCCCCC[n+]4ccc5cc(ccc5c4
    O)c6[nH]c1nc6)CC3    		 (1R,3S,6S,18R,27R)-6-(6,6-dihydroxyoctyl)-5,8,18,27,34-pentaazahexacyclo[25.2.2.1~7,10~.1~11,15~.1~14,18~.0~1,3~]tetratriaconta-7,9,11(33),12,14,16-hexaene-4,32-dione (non-preferred name)
    43935
    ZL5    		 2 C18 H14 F4 N6 InChI=1S/C18H14F4N6/c1-10
    -4-3-5-12-16(13-8-11(18(2
    0,21)22)6-7-14(13)19)25-2
    8(17(10)12)9-15-23-26-27(
    2)24-15/h3-8H,9H2,1-2H3;
    MMEFXWUINPSTPN-UHFFFAOYSA-N    		 Cn1nc(Cn2nc(c3cc(ccc3F)C(F)(F)F)c3cccc(C
    )c23)nn1; Cn1nnc(Cn2nc(c3cc(ccc3F)C(F)(F
    )F)c4cccc(C)c24)n1; Cc1cccc2c1n(nc2c3cc(
    ccc3F)C(F)(F)F)Cc4nnn(n4)C    		 3-[2-fluoro-5-(trifluoromethyl)phenyl]-7-methyl-1-[(2-methyl-2H-tetrazol-5-yl)methyl]-1H-indazole
    43936
    ZL6    		 1 C28 H33 N3 O3 InChI=1S/C28H33N3O3/c1-3-
    20-17-24(22-9-11-29-12-10
    -22)18-21(4-2)27(20)30-25
    -8-5-7-23(26(25)28(32)33)
    19-31-13-6-15-34-16-14-31
    /h5,7-12,17-18,30H,3-4,6,
    13-16,19H2,1-2H3,(H,32,33
    );
    DYKGFUNWMFFSJF-UHFFFAOYSA-N    		 CCc1cc(cc(c1Nc2cccc(c2C(=O)O)CN3CCCOCC3)
    CC)c4ccncc4; CCc1cc(cc(CC)c1Nc2cccc(CN3C
    CCOCC3)c2C(O)=O)c4ccncc4    		 2-[(2,6-diethyl-4-pyridin-4-yl-phenyl)amino]-6-(1,4-oxazepan-4-ylmethyl)benzoic acid
    43937
    ZL7    		 1 C23 H31 F4 N3 O5 S InChI=1S/C23H31F4N3O5S/c1
    -2-17(19(31)22(33)28-16-9
    -10-16)30-21(32)18(12-36(
    34,35)11-13-3-4-13)29-20(
    23(25,26)27)14-5-7-15(24)
    8-6-14/h5-8,13,16-20,29,3
    1H,2-4,9-12H2,1H3,(H,28,3
    3)(H,30,32)/t17-,18-,19+,
    20-/m0/s1;
    DXQKITXDEYCCEL-HAGHYFMRSA-N    		 OC(C(CC)NC(=O)C(CS(=O)(=O)CC1CC1)NC(c1cc
    c(F)cc1)C(F)(F)F)C(=O)NC1CC1; CCC(C(C(=O
    )NC1CC1)O)NC(=O)C(CS(=O)(=O)CC2CC2)NC(c3
    ccc(cc3)F)C(F)(F)F; CC[C@@H]([C@H](C(=O)
    NC1CC1)O)NC(=O)[C@H](CS(=O)(=O)CC2CC2)N[
    C@@H](c3ccc(cc3)F)C(F)(F)F; CC[C@H](NC(=
    O)[C@H](C[S](=O)(=O)CC1CC1)N[C@@H](c2ccc
    (F)cc2)C(F)(F)F)[C@@H](O)C(=O)NC3CC3; CC
    [CH](NC(=O)[CH](C[S](=O)(=O)CC1CC1)N[CH]
    (c2ccc(F)cc2)C(F)(F)F)[CH](O)C(=O)NC3CC3    		 (2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)
    43938
    ZL8    		 1 C23 H27 Cl N4 O3 S InChI=1S/C23H27ClN4O3S/c2
    4-19-4-1-3-17(15-19)22(30
    )26-9-2-10-27(13-12-26)23
    (31)25-8-5-21(29)28-11-6-
    20-18(16-28)7-14-32-20/h1
    ,3-4,7,14-15H,2,5-6,8-13,
    16H2,(H,25,31);
    QVFQIIVBSCFNLP-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)C(=O)N2CCCN(CC2)C(=O)NCCC(
    =O)N3CCc4c(ccs4)C3; Clc1cccc(c1)C(=O)N2C
    CCN(CC2)C(=O)NCCC(=O)N3CCc4sccc4C3; Clc1
    cccc(c1)C(=O)N1CCCN(CC1)C(=O)NCCC(=O)N1C
    Cc2sccc2C1    		 4-(3-chlorobenzoyl)-N-[3-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)-3-oxopropyl]-1,4-diazepane-1-carboxamide
    43939
    ZL9    		 1 C20 H24 N2 O5 InChI=1S/C20H24N2O5/c1-24
    -18-5-2-3-6-19(18)26-12-1
    0-21-9-4-11-25-15-7-8-17-
    16(13-15)22-20(23)14-27-1
    7/h2-3,5-8,13,21H,4,9-12,
    14H2,1H3,(H,22,23);
    JIDGHQZPZOREIN-UHFFFAOYSA-N    		 COc1ccccc1OCCNCCCOc2ccc3c(c2)NC(=O)CO3;
    COc1ccccc1OCCNCCCOc2ccc3OCC(=O)Nc3c2    		 6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one
    43940
    ZLA    		 1 C33 H35 N7 O4 InChI=1S/C33H35N7O4/c41-2
    9(37-33(32(43)44)12-4-1-5
    -13-33)16-20-14-24(21-8-9
    -21)30(25(15-20)22-10-11-
    22)40-19-23(38-39-40)17-3
    5-31(42)28-18-34-26-6-2-3
    -7-27(26)36-28/h2-3,6-7,1
    4-15,18-19,21-22H,1,4-5,8
    -13,16-17H2,(H,35,42)(H,3
    7,41)(H,43,44);
    BZXDUAKTLARJRN-UHFFFAOYSA-N    		 c1ccc2c(c1)ncc(n2)C(=O)NCc3cn(nn3)c4c(cc
    (cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7;
    OC(=O)C1(CCCCC1)NC(=O)Cc2cc(C3CC3)c(n4c
    c(CNC(=O)c5cnc6ccccc6n5)nn4)c(c2)C7CC7;
    O=C(O)C1(CCCCC1)NC(=O)Cc1cc(c(c(c1)C1CC1
    )n1cc(nn1)CNC(=O)c1cnc2ccccc2n1)C1CC1    		 1-{2-[3,5-dicyclopropyl-4-(4-{[(quinoxaline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid
    43941
    ZLC    		 1 C16 H19 N3 O3 S InChI=1S/C16H19N3O3S/c1-1
    2-4-5-14(22-12)15(20)18-6
    -8-19(9-7-18)16(21)17-11-
    13-3-2-10-23-13/h2-5,10H,
    6-9,11H2,1H3,(H,17,21);
    FSJIDIRPKORUPE-UHFFFAOYSA-N    		 Cc1ccc(o1)C(=O)N2CCN(CC2)C(=O)NCc3cccs3;
    Cc1oc(cc1)C(=O)N2CCN(CC2)C(=O)NCc3sccc3
    ; O=C(NCc1cccs1)N1CCN(CC1)C(=O)c1ccc(C)o
    1    		 4-(5-methylfuran-2-carbonyl)-N-[(thiophen-2-yl)methyl]piperazine-1-carboxamide
    43942
    ZLD
    CHEMBL126
    DB00601
    ZINC000002008866    		 1 C16 H20 F N3 O4 InChI=1S/C16H20FN3O4/c1-1
    1(21)18-9-13-10-20(16(22)
    24-13)12-2-3-15(14(17)8-1
    2)19-4-6-23-7-5-19/h2-3,8
    ,13H,4-7,9-10H2,1H3,(H,18
    ,21)/t13-/m0/s1;
    TYZROVQLWOKYKF-ZDUSSCGKSA-N    		 CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(c2)F)N3
    CCOCC3; CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(N
    3CCOCC3)c(F)c2; O=C1OC(CNC(=O)C)CN1c3cc(
    F)c(N2CCOCC2)cc3; CC(=O)NCC1CN(C(=O)O1)c
    2ccc(c(c2)F)N3CCOCC3; CC(=O)NC[CH]1CN(C(
    =O)O1)c2ccc(N3CCOCC3)c(F)c2    		 N-{[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide;
    Linezolid
    43943
    ZLE    		 4 C14 H15 N3 O InChI=1S/C14H15N3O/c1-2-1
    4(18)17-12-5-3-4-10(8-12)
    11-6-7-16-13(15)9-11/h3-9
    H,2H2,1H3,(H2,15,16)(H,17
    ,18);
    KMUHVBPNEFKYMG-UHFFFAOYSA-N    		 CCC(=O)Nc1cccc(c1)c2ccnc(c2)N; CCC(=O)Nc
    1cccc(c1)c2ccnc(N)c2    		 ~{N}-[3-(2-azanylpyridin-4-yl)phenyl]propanamide
    43944
    ZLF    		 0 C11 H14 F N O2 S InChI=1S/C11H14FNO2S/c1-7
    -2-8(4-9(12)3-7)5-16-6-10
    (13)11(14)15/h2-4,10H,5-6
    ,13H2,1H3,(H,14,15)/t10-/
    m0/s1;
    USVLRZDFSGVOCB-JTQLQIEISA-N    		 Cc1cc(cc(c1)F)CSCC(C(=O)O)N; Cc1cc(F)cc(
    CSC[CH](N)C(O)=O)c1; Cc1cc(F)cc(CSC[C@H]
    (N)C(O)=O)c1    		 S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE;
    2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid
    43945
    ZLG    		 1 C34 H35 F N6 O4 InChI=1S/C34H35FN6O4/c35-
    24-9-11-28-23(17-24)8-10-
    29(37-28)32(43)36-18-25-1
    9-41(40-39-25)31-26(21-4-
    5-21)14-20(15-27(31)22-6-
    7-22)16-30(42)38-34(33(44
    )45)12-2-1-3-13-34/h8-11,
    14-15,17,19,21-22H,1-7,12
    -13,16,18H2,(H,36,43)(H,3
    8,42)(H,44,45);
    RNZLLYIHGGOVPO-UHFFFAOYSA-N    		 c1cc(nc2c1cc(cc2)F)C(=O)NCc3cn(nn3)c4c(c
    c(cc4C5CC5)CC(=O)NC6(CCCCC6)C(=O)O)C7CC7
    ; O=C(O)C1(CCCCC1)NC(=O)Cc1cc(c(c(c1)C1C
    C1)n1cc(nn1)CNC(=O)c1ccc2cc(F)ccc2n1)C1C
    C1; OC(=O)C1(CCCCC1)NC(=O)Cc2cc(C3CC3)c(
    n4cc(CNC(=O)c5ccc6cc(F)ccc6n5)nn4)c(c2)C
    7CC7    		 antabactin;
    1-{2-[3,5-dicyclopropyl-4-(4-{[(6-fluoroquinoline-2-carbonyl)amino]methyl}-1H-1,2,3-triazol-1-yl)phenyl]acetamido}cyclohexane-1-carboxylic acid
    43946
    ZLH    		 1 C15 H21 N3 O3 InChI=1S/C15H21N3O3/c1-11
    -10-17(14(19)13-3-2-8-21-
    13)6-7-18(11)15(20)16-9-1
    2-4-5-12/h2-3,8,11-12H,4-
    7,9-10H2,1H3,(H,16,20)/t1
    1-/m0/s1;
    ICUJAPAHFNAKBW-NSHDSACASA-N    		 O=C(N1CCN(C(=O)NCC2CC2)C(C)C1)c1ccco1; C
    [C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3occc3;
    C[CH]1CN(CCN1C(=O)NCC2CC2)C(=O)c3occc3;
    CC1CN(CCN1C(=O)NCC2CC2)C(=O)c3ccco3; C[
    C@@H]1CN(CCN1C(=O)NCC2CC2)C(=O)c3ccco3    		 (2S)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
    43947
    ZLI    		 1 C14 H15 N O S InChI=1S/C14H15NOS/c1-11-
    4-6-12(7-5-11)10-15-14(16
    )9-13-3-2-8-17-13/h2-8H,9
    -10H2,1H3,(H,15,16);
    CWLVAWNDMFRWPI-UHFFFAOYSA-N    		 Cc1ccc(cc1)CNC(=O)Cc2cccs2; Cc1ccc(CNC(=
    O)Cc2sccc2)cc1    		 ~{N}-[(4-methylphenyl)methyl]-2-thiophen-2-yl-ethanamide
    43948
    ZLJ
    ZINC000004261819    		 1 C2 H5 Cl O3 S InChI=1S/C2H5ClO3S/c3-1-2
    -7(4,5)6/h1-2H2,(H,4,5,6);
    FXKMTSIKHBYZSZ-UHFFFAOYSA-N    		 ClCCS(=O)(=O)O; C(CCl)S(=O)(=O)O; O[S](=
    O)(=O)CCCl    		 2-chloroethane-1-sulfonic acid
    43949
    ZLK
    CHEMBL603
    DB00549
    ZINC000000896717    		 4 C31 H33 N3 O6 S InChI=1S/C31H33N3O6S/c1-2
    0-8-4-7-11-29(20)41(37,38
    )33-30(35)22-13-12-21(28(
    17-22)39-3)16-23-19-34(2)
    27-15-14-24(18-26(23)27)3
    2-31(36)40-25-9-5-6-10-25
    /h4,7-8,11-15,17-19,25H,5
    -6,9-10,16H2,1-3H3,(H,32,
    36)(H,33,35);
    YEEZWCHGZNKEEK-UHFFFAOYSA-N    		 COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)
    cc23)C(=O)N[S](=O)(=O)c5ccccc5C; Cc1cccc
    c1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c
    3cc(cc4)NC(=O)OC5CCCC5)C    		 zafirlukast
    43950
    ZLL    		 28 C19 H20 Br F2 N3 O InChI=1S/C19H20BrF2N3O/c2
    0-16-3-1-14(2-4-16)12-23-
    19(26)25-7-5-24(6-8-25)13
    -15-9-17(21)11-18(22)10-1
    5/h1-4,9-11H,5-8,12-13H2,
    (H,23,26);
    HRSJZGGIFGZVFD-UHFFFAOYSA-N    		 Fc1cc(F)cc(CN2CCN(CC2)C(=O)NCc3ccc(Br)cc
    3)c1; c1cc(ccc1CNC(=O)N2CCN(CC2)Cc3cc(cc
    (c3)F)F)Br    		 4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
    43951
    ZLM    		 3 C33 H47 N5 O4 InChI=1S/C33H47N5O4/c1-4-
    33(41,42)14-9-7-8-10-27(3
    6-30(39)26-21-32(26)15-18
    -37(5-2)19-16-32)29-34-22
    -28(35-29)24-11-12-25-23(
    20-24)13-17-38(6-3)31(25)
    40/h11-13,17,20,22,26-27,
    41-42H,4-10,14-16,18-19,2
    1H2,1-3H3,(H,34,35)(H,36,
    39)/t26-,27+/m1/s1;
    UGJJVROKAWKMLZ-SXOMAYOGSA-N    		 CCN1CCC2(CC1)C[CH]2C(=O)N[CH](CCCCCC(O)(
    O)CC)c3[nH]c(cn3)c4ccc5C(=O)N(CC)C=Cc5c4
    ; O=C1c2ccc(cc2C=CN1CC)c1cnc([NH]1)C(CCC
    CCC(O)(O)CC)NC(=O)C1CC21CCN(CC)CC2; CCC(
    CCCCC[C@@H](c1[nH]c(cn1)c2ccc3c(c2)C=CN(
    C3=O)CC)NC(=O)[C@H]4CC45CCN(CC5)CC)(O)O;
    CCN1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](CCCCC
    C(O)(O)CC)c3[nH]c(cn3)c4ccc5C(=O)N(CC)C=
    Cc5c4; CCC(CCCCCC(c1[nH]c(cn1)c2ccc3c(c2
    )C=CN(C3=O)CC)NC(=O)C4CC45CCN(CC5)CC)(O)
    O    		 (1S)-6-ethyl-N-{(1S)-1-[5-(2-ethyl-1-oxo-1,2-dihydroisoquinolin-6-yl)-1H-imidazol-2-yl]-7,7-dihydroxynonyl}-6-azaspiro[2.5]octane-1-carboxamide
    43952
    ZLO    		 2 C5 H7 N3 O S2 InChI=1S/C5H7N3OS2/c1-3(9
    )6-4-7-5(10-2)8-11-4/h1-2
    H3,(H,6,7,8,9);
    OMEQZPBOTOKCQC-UHFFFAOYSA-N    		 CSc1nsc(NC(C)=O)n1; CC(=O)Nc1nc(ns1)SC ~{N}-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)ethanamide
    43953
    ZLP
    CHEMBL2041942
    ZINC000084654577    		 2 C32 H44 N4 O10 S InChI=1S/C32H44N4O10S/c1-
    20(2)16-36(47(39,40)22-10
    -11-23-26(15-22)45-31(33-
    3)34-23)17-25(37)24(14-21
    -8-6-5-7-9-21)35-32(38)46
    -28-19-44-30-29(28)27(18-
    43-30)42-13-12-41-4/h5-11
    ,15,20,24-25,27-30,37H,12
    -14,16-19H2,1-4H3,(H,33,3
    4)(H,35,38)/t24-,25+,27-,
    28-,29-,30+/m0/s1;
    RAYAFQVLXHNDSC-CFUDKJTHSA-N    		 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C
    @H]2CO[C@@H]3[C@H]2[C@H](CO3)OCCOC)O)S(=
    O)(=O)c4ccc5c(c4)O/C(=N\C)/N5; O=S(=O)(c
    2cc1O\C(=N/C)Nc1cc2)N(CC(C)C)CC(O)C(NC(=
    O)OC3C4C(OCCOC)COC4OC3)Cc5ccccc5; CC(C)C
    N(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C(CO3)OC
    COC)O)S(=O)(=O)c4ccc5c(c4)OC(=NC)N5; COC
    CO[C@H]1CO[C@@H]2OC[C@H](OC(=O)N[C@@H](C
    c3ccccc3)[C@H](O)CN(CC(C)C)[S](=O)(=O)c4
    ccc5NC(Oc5c4)=NC)[C@H]12; COCCO[CH]1CO[C
    H]2OC[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)C
    N(CC(C)C)[S](=O)(=O)c4ccc5NC(Oc5c4)=NC)[
    CH]12    		 (3R,3aS,4R,6aR)-4-(2-methoxyethoxy)hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-3-hydroxy-4-[{[(2Z)-2-(methylimino)-2,3-dihydro-1,3-benzoxazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-phenylbutan-2-yl}carbamate
    43954
    ZLS    		 3 C32 H46 N4 O3 InChI=1S/C32H46N4O3/c1-3-
    32(38,39)12-6-4-5-7-27(35
    -30(37)26-19-31(26)13-15-
    36(2)16-14-31)29-33-20-28
    (34-29)23-10-11-24-21-8-9
    -22(17-21)25(24)18-23/h10
    -11,18,20-22,26-27,38-39H
    ,3-9,12-17,19H2,1-2H3,(H,
    33,34)(H,35,37)/t21-,22+,
    26-,27+/m1/s1;
    OYAZOARGEULSKR-IMIIGWPFSA-N    		 CCC(O)(O)CCCCC[C@H](NC(=O)[C@H]1CC12CCN(
    C)CC2)c3[nH]cc(n3)c4ccc5[C@@H]6CC[C@@H](
    C6)c5c4; CN1CCC2(CC2C(=O)NC(CCCCCC(O)(O)
    CC)c2nc(c[NH]2)c2ccc3C4CCC(C4)c3c2)CC1;
    CCC(CCCCC[C@@H](c1[nH]cc(n1)c2ccc3c(c2)[
    C@H]4CC[C@@H]3C4)NC(=O)[C@H]5CC56CCN(CC6
    )C)(O)O; CCC(O)(O)CCCCC[CH](NC(=O)[CH]1C
    C12CCN(C)CC2)c3[nH]cc(n3)c4ccc5[CH]6CC[C
    H](C6)c5c4; CCC(CCCCCC(c1[nH]cc(n1)c2ccc
    3c(c2)C4CCC3C4)NC(=O)C5CC56CCN(CC6)C)(O)
    O    		 (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide
    43955
    ZLT    		 3 C10 H12 N2 O3 S InChI=1S/C10H12N2O3S/c13-
    9(8-2-1-5-15-8)11-10(16)1
    2-3-6-14-7-4-12/h1-2,5H,3
    -4,6-7H2,(H,11,13,16);
    JQJIETSPJDDSJO-UHFFFAOYSA-N    		 O=C(NC(=S)N1CCOCC1)c2occc2; c1cc(oc1)C(=
    O)NC(=S)N2CCOCC2    		 ~{N}-morpholin-4-ylcarbothioylfuran-2-carboxamide
    43956
    ZLV    		 3 C27 H40 N4 O4 InChI=1S/C27H40N4O4/c1-2-
    27(33,34)15-8-3-5-12-21-2
    5-28-19-22(29-25)20-11-6-
    7-13-24(20)35-18-10-4-9-1
    6-31-17-14-23(31)26(32)30
    -21/h6-7,11,13,19,21,23,3
    3-34H,2-5,8-10,12,14-18H2
    ,1H3,(H,28,29)(H,30,32)/t
    21-,23+/m0/s1;
    UDDWOBRBECZUIE-JTHBVZDNSA-N    		 CCC(O)(O)CCCCC[C@@H]1NC(=O)[C@H]2CCN2CCC
    CCOc3ccccc3c4[nH]c1nc4; CCC(O)(O)CCCCCC1
    NC(=O)C2CCN2CCCCCOc2ccccc2c2cnc1[NH]2; C
    CC(CCCCC[C@H]1c2[nH]c(cn2)-c3ccccc3OCCCC
    CN4CC[C@@H]4C(=O)N1)(O)O; CCC(CCCCCC1c2[
    nH]c(cn2)-c3ccccc3OCCCCCN4CCC4C(=O)N1)(O
    )O; CCC(O)(O)CCCCC[CH]1NC(=O)[CH]2CCN2CC
    CCCOc3ccccc3c4[nH]c1nc4    		 (3S,18S,20aR)-18-(6,6-dihydroxyoctyl)-1,5,6,7,8,18,19,20a-octahydro-4H-14,17-epiminoazeto[1,2-g][1,7,10,13]benzoxatriazacycloheptadecin-20(2H)-one
    43957
    ZLW    		 1 C12 H18 N4 O3 InChI=1S/C12H18N4O3/c13-3
    -4-14-12(18)16-7-5-15(6-8
    -16)11(17)10-2-1-9-19-10/
    h1-2,9H,3-8,13H2,(H,14,18
    );
    NGTIGXKIESWBCE-UHFFFAOYSA-N    		 NCCNC(=O)N1CCN(CC1)C(=O)c2occc2; c1cc(oc
    1)C(=O)N2CCN(CC2)C(=O)NCCN; O=C(N1CCN(CC
    1)C(=O)NCCN)c1ccco1    		 N-(2-aminoethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
    43958
    ZLX    		 2 C11 H13 N O5 InChI=1S/C11H13NO5/c1-16-
    11(15)8-5-7(13)6-12(8)10(
    14)9-3-2-4-17-9/h2-4,7-8,
    13H,5-6H2,1H3/t7-,8-/m0/s
    1;
    GVYWVRYDCMRUCE-YUMQZZPRSA-N    		 COC(=O)[C@@H]1C[C@@H](CN1C(=O)c2ccco2)O;
    COC(=O)[C@@H]1C[C@H](O)CN1C(=O)c2occc2;
    COC(=O)C1CC(CN1C(=O)c2ccco2)O; COC(=O)[
    CH]1C[CH](O)CN1C(=O)c2occc2    		 methyl (2~{S},4~{S})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
    43959
    ZLY
    CHEMBL5074481    		 6 C38 H44 N4 O6 InChI=1S/C38H44N4O6/c39-3
    3(43)23-32-36(47)40-24-26
    (20-30-12-7-10-28-9-2-3-1
    3-31(28)30)8-6-11-29(27-1
    6-14-25(15-17-27)21-35(45
    )46)22-34(44)42-38(37(48)
    41-32)18-4-1-5-19-38/h2-3
    ,6-7,9-17,26,29,32H,1,4-5
    ,8,18-24H2,(H2,39,43)(H,4
    0,47)(H,41,48)(H,42,44)(H
    ,45,46)/b11-6+/t26-,29-,3
    2-/m0/s1;
    ZYRZDVCTSBJOQD-GZNVFMSSSA-N    		 NC(=O)C[CH]1NC(=O)C2(CCCCC2)NC(=O)C[CH](
    C=CC[CH](CNC1=O)Cc3cccc4ccccc34)c5ccc(CC
    (O)=O)cc5; O=C(O)Cc1ccc(cc1)C1CC(=O)NC2(
    CCCCC2)C(=O)NC(CC(N)=O)C(=O)NCC(Cc2cccc3
    ccccc32)CC=C1; c1ccc2c(c1)cccc2C[C@@H]3C
    /C=C/[C@@H](CC(=O)NC4(CCCCC4)C(=O)N[C@H]
    (C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)O; c1c
    cc2c(c1)cccc2CC3CC=CC(CC(=O)NC4(CCCCC4)C
    (=O)NC(C(=O)NC3)CC(=O)N)c5ccc(cc5)CC(=O)
    O; NC(=O)C[C@@H]1NC(=O)C2(CCCCC2)NC(=O)C
    [C@H](/C=C/C[C@H](CNC1=O)Cc3cccc4ccccc34
    )c5ccc(CC(O)=O)cc5    		 (4-{(10R,11E,14S,18S)-18-(2-amino-2-oxoethyl)-14-[(naphthalen-1-yl)methyl]-8,17,20-trioxo-7,16,19-triazaspiro[5.14]icos-11-en-10-yl}phenyl)acetic acid
    43960
    ZM0    		 1 C19 H27 N3 O2 S2 InChI=1S/C19H27N3O2S2/c1-
    13(19(2,3)4)12-20-18(24)2
    2-8-6-21(7-9-22)17(23)16-
    11-15-14(26-16)5-10-25-15
    /h5,10-11,13H,6-9,12H2,1-
    4H3,(H,20,24)/t13-/m1/s1;
    NWCRAPGRDQGTKB-CYBMUJFWSA-N    		 C[C@@H](CNC(=O)N1CCN(CC1)C(=O)c2cc3c(s2)
    ccs3)C(C)(C)C; C[CH](CNC(=O)N1CCN(CC1)C(
    =O)c2sc3ccsc3c2)C(C)(C)C; C[C@@H](CNC(=O
    )N1CCN(CC1)C(=O)c2sc3ccsc3c2)C(C)(C)C; C
    C(CNC(=O)N1CCN(CC1)C(=O)c2cc3c(s2)ccs3)C
    (C)(C)C; CC(C)(C)C(C)CNC(=O)N1CCN(CC1)C(
    =O)c1cc2sccc2s1    		 4-(thieno[3,2-b]thiophene-2-carbonyl)-N-[(2S)-2,3,3-trimethylbutyl]piperazine-1-carboxamide
    43961
    ZM1    		 2 C8 H16 N O8 P InChI=1S/C8H16NO8P/c1-5(1
    1)9-6(4-10)8(13)7(12)2-3-
    17-18(14,15)16/h4,6-8,12-
    13H,2-3H2,1H3,(H,9,11)(H2
    ,14,15,16)/t6-,7-,8-/m1/s
    1;
    SJEDNRVDWMBCDP-BWZBUEFSSA-N    		 CC(=O)NC(C=O)C(C(CCOP(=O)(O)O)O)O; CC(=O
    )N[C@H](C=O)[C@@H](O)[C@H](O)CCO[P](O)(O
    )=O; O=P(O)(O)OCCC(O)C(O)C(C=O)NC(C)=O;
    CC(=O)N[CH](C=O)[CH](O)[CH](O)CCO[P](O)(
    O)=O; CC(=O)N[C@H](C=O)[C@H]([C@@H](CCOP
    (=O)(O)O)O)O    		 2-acetamido-2,5-dideoxy-6-O-phosphono-D-lyxo-hexose
    43962
    ZM2    		 1 C6 H18 O24 P6 InChI=1S/C6H18O24P6/c7-1-
    2(25-31(8,9)10)4(27-33(14
    ,15)16)6(29-36(23,24)30-3
    5(20,21)22)5(28-34(17,18)
    19)3(1)26-32(11,12)13/h1-
    7H,(H,23,24)(H2,8,9,10)(H
    2,11,12,13)(H2,14,15,16)(
    H2,17,18,19)(H2,20,21,22)
    /t1-,2-,3+,4-,5-,6-/m0/s1;
    FFZGWHDHUIRNPY-PTQMNWPWSA-N    		 O[C@@H]1[C@@H](O[P](O)(O)=O)[C@H](O[P](O
    )(O)=O)[C@@H](O[P](O)(=O)O[P](O)(O)=O)[C
    @@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O; O[
    CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)
    [CH](O[P](O)(=O)O[P](O)(O)=O)[CH](O[P](O
    )(O)=O)[CH]1O[P](O)(O)=O; O=P(O)(O)OC1C(
    OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O
    )C1OP(=O)(O)OP(=O)(O)O; C1(C(C(C(C(C1OP(
    =O)(O)O)OP(=O)(O)O)OP(=O)(O)OP(=O)(O)O)O
    P(=O)(O)O)OP(=O)(O)O)O; [C@H]1([C@@H](C(
    [C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)O
    P(=O)(O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O    		 (1R,2S,3R,4R,5S,6S)-4-hydroxy-2,3,5,6-tetrakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
    43963
    ZM3
    ZINC000087528482    		 8 C36 H59 N O11 InChI=1S/C36H59NO11/c1-10
    -28-25(19-44-36-34(43-9)3
    2(42)30(40)24(6)46-36)13-
    11-12-14-27(38)21(3)17-22
    (4)33(20(2)15-16-29(39)47
    -28)48-35-31(41)26(37(7)8
    )18-23(5)45-35/h11-16,20-
    26,28,30-36,40-42H,10,17-
    19H2,1-9H3/b13-11+,14-12+
    ,16-15+/t20-,21+,22-,23+,
    24+,25+,26-,28+,30+,31+,3
    2+,33+,34+,35-,36+/m0/s1;
    FPIDCOOKEJFXFI-WKUFBULYSA-N    		 CC[C@@H]1[C@H](/C=C/C=C/C(=O)[C@@H](C[C@
    @H]([C@@H]([C@H](/C=C/C(=O)O1)C)O[C@H]2[
    C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)C)CO[C
    @H]3[C@@H]([C@@H]([C@@H]([C@H](O3)C)O)O)
    OC; CCC1C(C=CC=CC(=O)C(CC(C(C(C=CC(=O)O1
    )C)OC2C(C(CC(O2)C)N(C)C)O)C)C)COC3C(C(C(
    C(O3)C)O)O)OC; O=C3C=CC=CC(COC1OC(C(O)C(
    O)C1OC)C)C(OC(=O)C=CC(C)C(OC2OC(C)CC(N(C
    )C)C2O)C(C)CC3C)CC; CC[CH]1OC(=O)C=C[CH]
    (C)[CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C
    )[CH](C)C[CH](C)C(=O)C=CC=C[CH]1CO[CH]3O
    [CH](C)[CH](O)[CH](O)[CH]3OC; CC[C@H]1OC
    (=O)/C=C/[C@H](C)[C@@H](O[C@@H]2O[C@H](C
    )C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](
    C)C(=O)/C=C/C=C/[C@@H]1CO[C@@H]3O[C@H](C
    )[C@@H](O)[C@@H](O)[C@H]3OC    		 MYCINAMICIN III
    43964
    ZM4    		 1 C24 H25 N5 O InChI=1S/C24H25N5O/c1-4-2
    1-19(22(25)29-24(27)28-21
    )12-6-15(3)20-13-18(7-5-1
    4(20)2)16-8-10-17(11-9-16
    )23(26)30/h5,7-11,13,15H,
    4H2,1-3H3,(H2,26,30)(H4,2
    5,27,28,29)/t15-/m0/s1;
    YJUMTSDIAPDMCM-HNNXBMFYSA-N    		 CCc1nc(N)nc(N)c1C#C[CH](C)c2cc(ccc2C)c3c
    cc(cc3)C(N)=O; CCc1c(c(nc(n1)N)N)C#CC(C)
    c2cc(ccc2C)c3ccc(cc3)C(=O)N; CCc1nc(N)nc
    (N)c1C#C[C@H](C)c2cc(ccc2C)c3ccc(cc3)C(N
    )=O; CCc1nc(N)nc(N)c1C#CC(C)c1cc(ccc1C)c
    1ccc(cc1)C(N)=O; CCc1c(c(nc(n1)N)N)C#C[C
    @H](C)c2cc(ccc2C)c3ccc(cc3)C(=O)N    		 3'-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-4'-methyl[1,1'-biphenyl]-4-carboxamide
    43965
    ZM5    		 0 C32 H62 O5 InChI=1S/C32H62O5/c1-3-5-
    7-9-11-13-15-16-17-19-20-
    22-24-26-31(34)36-29-30(2
    8-33)37-32(35)27-25-23-21
    -18-14-12-10-8-6-4-2/h30,
    33H,3-29H2,1-2H3/t30-/m1/
    s1;
    ZMBQEERVAJRJTB-SSEXGKCCSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO)OC(=O)CC
    CCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OCC(CO)O
    C(=O)CCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)O
    C[CH](CO)OC(=O)CCCCCCCCCCCC    		 (2R)-2-(tridecanoyloxy)propyl hexadecanoate;
    (3-oxidanyl-2-tridecanoyloxy-propyl) hexadecanoate
    43966
    ZM6    		 1 C16 H19 Cl2 N3 O2 InChI=1S/C16H19Cl2N3O2/c1
    7-13-4-3-12(9-14(13)18)15
    (22)20-5-7-21(8-6-20)16(2
    3)19-10-11-1-2-11/h3-4,9,
    11H,1-2,5-8,10H2,(H,19,23
    );
    DPRJGBYDJHMEPY-UHFFFAOYSA-N    		 c1cc(c(cc1C(=O)N2CCN(CC2)C(=O)NCC3CC3)Cl
    )Cl; Clc1ccc(cc1Cl)C(=O)N2CCN(CC2)C(=O)N
    CC3CC3; O=C(NCC1CC1)N1CCN(CC1)C(=O)c1ccc
    (Cl)c(Cl)c1    		 N-(cyclopropylmethyl)-4-(3,4-dichlorobenzoyl)piperazine-1-carboxamide
    43967
    ZM7
    CHEMBL1788267
    ZINC000000056647    		 1 C17 H20 N2 S InChI=1S/C17H20N2S/c1-13(
    18(2)3)12-19-14-8-4-6-10-
    16(14)20-17-11-7-5-9-15(1
    7)19/h4-11,13H,12H2,1-3H3
    /t13-/m1/s1;
    PWWVAXIEGOYWEE-CYBMUJFWSA-N    		 C[C@H](CN1c2ccccc2Sc3ccccc13)N(C)C; CC(C
    N1c2ccccc2Sc3c1cccc3)N(C)C; C[C@H](CN1c2
    ccccc2Sc3c1cccc3)N(C)C; C[CH](CN1c2ccccc
    2Sc3ccccc13)N(C)C; CN(C)C(C)CN1c2ccccc2S
    c2ccccc12    		 (2R)-N,N-dimethyl-1-(10H-phenothiazin-10-yl)propan-2-amine
    43968
    ZM8    		 4 C10 H18 N2 O InChI=1S/C10H18N2O/c1-8(1
    3)12-6-4-10(5-7-12)11-9-2
    -3-9/h9-11H,2-7H2,1H3;
    KWLJTPCIXGQHSB-UHFFFAOYSA-N    		 CC(=O)N1CCC(CC1)NC2CC2 1-[4-(cyclopropylamino)piperidin-1-yl]ethanone
    43969
    ZMA
    CHEMBL113142
    DB08770
    ZINC000000005258    		 31 C16 H15 N7 O2 InChI=1S/C16H15N7O2/c17-1
    4-20-15(18-8-7-10-3-5-11(
    24)6-4-10)21-16-19-13(22-
    23(14)16)12-2-1-9-25-12/h
    1-6,9,24H,7-8H2,(H3,17,18
    ,19,20,21,22);
    PWTBZOIUWZOPFT-UHFFFAOYSA-N    		 c1cc(oc1)c2nc3nc(nc(n3n2)N)NCCc4ccc(cc4)
    O; n1n3c(nc(nc3nc1c2occc2)NCCc4ccc(O)cc4
    )N; Nc1nc(NCCc2ccc(O)cc2)nc3nc(nn13)c4oc
    cc4    		 4-{2-[(7-amino-2-furan-2-yl[1,2,4]triazolo[1,5-a][1,3,5]triazin-5-yl)amino]ethyl}phenol
    43970
    ZMB    		 1 C13 H23 N O8 InChI=1S/C13H23NO8/c1-6(1
    2(19)20-3)5-21-13-9(14-7(
    2)16)11(18)10(17)8(4-15)2
    2-13/h6,8-11,13,15,17-18H
    ,4-5H2,1-3H3,(H,14,16)/t6
    -,8+,9+,10+,11+,13+/m0/s1;
    LMSXTPOWCBFQKY-BCPRKZQJSA-N    		 COC(=O)[CH](C)CO[CH]1O[CH](CO)[CH](O)[CH
    ](O)[CH]1NC(C)=O; COC(=O)[C@@H](C)CO[C@@
    H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C
    )=O; O=C(OC)C(C)COC1OC(CO)C(O)C(O)C1NC(C
    )=O; CC(COC1C(C(C(C(O1)CO)O)O)NC(=O)C)C(
    =O)OC; C[C@@H](CO[C@H]1[C@@H]([C@H]([C@@
    H]([C@H](O1)CO)O)O)NC(=O)C)C(=O)OC    		 methyl (2S)-3-[(2-acetamido-2-deoxy-beta-D-glucopyranosyl)oxy]-2-methylpropanoate
    43971
    ZMC    		 3 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c1-2-
    13-14(18-10-17-13)7-12(1)
    9-16-8-11-3-5-15-6-4-11/h
    1-7,16H,8-10H2;
    UGGCQMVKRPFZEA-UHFFFAOYSA-N    		 c1cc2c(cc1CNCc3ccncc3)OCO2; C1Oc2ccc(CNC
    c3ccncc3)cc2O1    		 ~{N}-(1,3-benzodioxol-5-ylmethyl)-1-pyridin-4-yl-methanamine
    43972
    ZMD    		 8 C7 H7 B O3 InChI=1S/C7H7BO3/c9-7-5-3
    -1-2-4-6(5)8(10)11-7/h1-4
    ,7,9-10H/t7-/m0/s1;
    GKXMUTRKNBAUGN-ZETCQYMHSA-N    		 OB1O[CH](O)c2ccccc12; OB1O[C@H](O)c2cccc
    c12; B1(c2ccccc2C(O1)O)O; B1(c2ccccc2[C@
    H](O1)O)O; OB1OC(O)c2ccccc12    		 (3S)-2,1-benzoxaborole-1,3(3H)-diol
    43973
    ZME
    ZINC000238509705    		 1 C10 H9 N5 InChI=1S/C10H9N5/c1-7-2-3
    -15(4-7)10-8-9(12-5-11-8)
    13-6-14-10/h2-6H,1H3,(H,1
    1,12,13,14);
    BCVQNVIMHTYJMD-UHFFFAOYSA-N    		 Cc1ccn(c1)c2ncnc3[nH]cnc23; Cc1ccn(c1)c2
    c3c([nH]cn3)ncn2; Cc1ccn(c1)c2c3c(ncn2)n
    cn3    		 6-(3-methyl-1H-pyrrol-1-yl)-9H-purine
    43974
    ZMG
    CHEMBL392452
    DB08771
    ZINC000016052518    		 4 C12 H13 F N2 O S InChI=1S/C12H13FN2OS/c1-7
    (2)10-11(16)15-12(17-10)1
    4-9-6-4-3-5-8(9)13/h3-7,1
    0H,1-2H3,(H,14,15,16)/t10
    -/m1/s1;
    OJJBBNIYQKFZDK-SNVBAGLBSA-N    		 CC(C)[CH]1SC(=NC1=O)Nc2ccccc2F; CC(C)C1C
    (=O)N=C(S1)Nc2ccccc2F; CC(C)[C@H]1SC(=NC
    1=O)Nc2ccccc2F; Fc1ccccc1NC2=NC(=O)C(S2)
    C(C)C; CC(C)[C@@H]1C(=O)N=C(S1)Nc2ccccc2
    F    		 (5R)-2-[(2-fluorophenyl)amino]-5-(1-methylethyl)-1,3-thiazol-4(5H)-one;
    (R)-2-(2-fluorophenylamino)-5-isopropylthiazol-4(5H)-one
    43975
    ZMH    		 9 C18 H18 Br F2 N5 O2 InChI=1S/C18H18BrF2N5O2/c
    1-24-7-10(20)8-26-16(17(2
    4)27)12-9-25(5-4-15(12)23
    -26)18(28)22-11-2-3-14(21
    )13(19)6-11/h2-3,6,10H,4-
    5,7-9H2,1H3,(H,22,28)/t10
    -/m1/s1;
    HKVGNSIAARSCKF-SNVBAGLBSA-N    		 CN1CC(Cn2c(c3c(n2)CCN(C3)C(=O)Nc4ccc(c(c
    4)Br)F)C1=O)F; CN1C[C@H](Cn2c(c3c(n2)CCN
    (C3)C(=O)Nc4ccc(c(c4)Br)F)C1=O)F; Fc1ccc
    (cc1Br)NC(=O)N1Cc2c3C(=O)N(C)CC(F)Cn3nc2
    CC1; CN1C[CH](F)Cn2nc3CCN(Cc3c2C1=O)C(=O
    )Nc4ccc(F)c(Br)c4; CN1C[C@@H](F)Cn2nc3CC
    N(Cc3c2C1=O)C(=O)Nc4ccc(F)c(Br)c4    		 (6S,8R)-N-(3-bromo-4-fluorophenyl)-8-fluoro-10-methyl-11-oxo-1,3,4,7,8,9,10,11-octahydro-2H-pyrido[4',3':3,4]pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
    43976
    ZMI    		 3 C11 H10 F N3 O2 InChI=1S/C11H10FN3O2/c1-7
    -6-10(15-17-7)11(16)14-13
    -9-5-3-2-4-8(9)12/h2-6,13
    H,1H3,(H,14,16);
    VNJQNKZHKFEHID-UHFFFAOYSA-N    		 Cc1cc(no1)C(=O)NNc2ccccc2F; Cc1onc(c1)C(
    =O)NNc2ccccc2F    		 ~{N}'-(2-fluorophenyl)-5-methyl-1,2-oxazole-3-carbohydrazide
    43977
    ZMJ
    CHEMBL4227788    		 3 C18 H18 N2 O3 S InChI=1S/C18H18N2O3S/c1-3
    -24(22,23)19-14-8-6-7-13(
    11-14)17-12-20(2)18(21)16
    -10-5-4-9-15(16)17/h4-12,
    19H,3H2,1-2H3;
    QIEVBHRUPLMWFP-UHFFFAOYSA-N    		 CCS(=O)(=O)Nc1cccc(c1)C2=CN(C(=O)c3c2ccc
    c3)C; CCS(=O)(=O)Nc1cccc(c1)C1=CN(C)C(=O
    )c2ccccc12; CC[S](=O)(=O)Nc1cccc(c1)C2=C
    N(C)C(=O)c3ccccc23    		 N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
    43978
    ZMK
    ZINC000098209668    		 2 C19 H35 N2 O10 P S InChI=1S/C19H35N2O10PS/c1
    -19(2,13-31-32(27,28)29)1
    7(25)18(26)21-10-9-14(22)
    20-11-12-33-16(24)8-6-4-5
    -7-15(23)30-3/h17,25H,4-1
    3H2,1-3H3,(H,20,22)(H,21,
    26)(H2,27,28,29)/t17-/m1/
    s1;
    HCFLUHFHCAMJNF-QGZVFWFLSA-N    		 O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(
    O)O)CCCCCC(=O)OC; CC(C)(COP(=O)(O)O)C(C(
    =O)NCCC(=O)NCCSC(=O)CCCCCC(=O)OC)O; CC(C
    )(COP(=O)(O)O)[C@@H](C(=O)NCCC(=O)NCCSC(
    =O)CCCCCC(=O)OC)O; COC(=O)CCCCCC(=O)SCCN
    C(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(O)=O
    ; COC(=O)CCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@
    H](O)C(C)(C)CO[P](O)(O)=O    		 methyl 7-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-7-oxoheptanoate
    43979
    ZMM
    CHEMBL5170344    		 3 C20 H18 N2 O2 InChI=1S/C20H18N2O2/c1-21
    -13-18(16-8-2-3-9-17(16)2
    0(21)24)14-6-4-7-15(12-14
    )22-11-5-10-19(22)23/h2-4
    ,6-9,12-13H,5,10-11H2,1H3;
    IQHRPUHKLPCOKF-UHFFFAOYSA-N    		 CN1C=C(c2ccccc2C1=O)c3cccc(c3)N4CCCC4=O;
    CN1C=C(c2cccc(c2)N3CCCC3=O)c4ccccc4C1=O
    ; O=C1CCCN1c1cccc(c1)C1=CN(C)C(=O)c2cccc
    c12    		 2-methyl-4-[3-(2-oxopyrrolidin-1-yl)phenyl]isoquinolin-1(2H)-one
    43980
    ZMN    		 1 C20 H24 Br N3 O4 InChI=1S/C20H24BrN3O4/c1-
    15-4-2-5-16(14-15)27-13-3
    -8-22-20(26)24-11-9-23(10
    -12-24)19(25)17-6-7-18(21
    )28-17/h2,4-7,14H,3,8-13H
    2,1H3,(H,22,26);
    SCRILDURHLVTAB-UHFFFAOYSA-N    		 Cc1cccc(c1)OCCCNC(=O)N2CCN(CC2)C(=O)c3cc
    c(o3)Br; Cc1cccc(OCCCNC(=O)N2CCN(CC2)C(=
    O)c3oc(Br)cc3)c1; O=C(N1CCN(CC1)C(=O)NCC
    COc1cc(C)ccc1)c1ccc(Br)o1    		 4-(5-bromofuran-2-carbonyl)-N-[3-(3-methylphenoxy)propyl]piperazine-1-carboxamide
    43981
    ZMO
    ZINC000584905717    		 4 C29 H55 N2 O8 P S InChI=1S/C29H55N2O8PS/c1-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18-19-26(33)41
    -23-22-30-25(32)20-21-31-
    28(35)27(34)29(2,3)24-39-
    40(36,37)38/h11-12,27,34H
    ,4-10,13-24H2,1-3H3,(H,30
    ,32)(H,31,35)(H2,36,37,38
    )/b12-11-/t27-/m1/s1;
    AINKKKUPSQZPIP-FRSJXWKWSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)
    [CH](O)C(C)(C)CO[P](O)(O)=O; OP(=O)(OCC(
    C)(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C
    =C/CCCCCCCC)O; CCCCCCCC/C=C\CCCCCCCC(=O)
    SCCNC(=O)CCNC(=O)[C@H](C(C)(C)COP(=O)(O)
    O)O; CCCCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)C
    CNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O; CC
    CCCCCCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(
    C(C)(C)COP(=O)(O)O)O    		 S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-octadec-9-enethioate
    43982
    ZMP
    ZINC000145431082    		 210 C25 H49 N2 O8 P S InChI=1S/C25H49N2O8PS/c1-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-22(29)37-19-18-26-21
    (28)16-17-27-24(31)23(30)
    25(2,3)20-35-36(32,33)34/
    h23,30H,4-20H2,1-3H3,(H,2
    6,28)(H,27,31)(H2,32,33,3
    4)/t23-/m1/s1;
    HDTINWYIVVMRIN-HSZRJFAPSA-N    		 CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C@@H
    ](O)C(C)(C)CO[P](O)(O)=O; CCCCCCCCCCCCCC
    (=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)
    O)O; OP(=O)(OCC(C(C(NCCC(=O)NCCSC(=O)CCC
    CCCCCCCCCC)=O)O)(C)C)O; CCCCCCCCCCCCCC(=
    O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O
    )(O)=O; CCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(
    =O)[C@H](C(C)(C)COP(=O)(O)O)O    		 S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] tetradecanethioate
    43983
    ZMQ
    ZINC000145431302    		 4 C27 H51 N2 O8 P S InChI=1S/C27H51N2O8PS/c1-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-24(31)39-21-20
    -28-23(30)18-19-29-26(33)
    25(32)27(2,3)22-37-38(34,
    35)36/h9-10,25,32H,4-8,11
    -22H2,1-3H3,(H,28,30)(H,2
    9,33)(H2,34,35,36)/b10-9-
    /t25-/m1/s1;
    IKLUIZJWBLJHAQ-HAAQQRBASA-N    		 CCCCCC\C=C/CCCCCCCC(=O)SCCNC(=O)CCNC(=O)
    [C@@H](O)C(C)(C)CO[P](O)(O)=O; CCCCCCC=C
    CCCCCCCC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)
    (C)CO[P](O)(O)=O; CCCCCCC=CCCCCCCCC(=O)S
    CCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O;
    CCCCCC/C=C\CCCCCCCC(=O)SCCNC(=O)CCNC(=O)
    [C@H](C(C)(C)COP(=O)(O)O)O; OP(=O)(OCC(C
    )(C)C(O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCC\C=
    C/CCCCCC)O    		 S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (9Z)-hexadec-9-enethioate
    43984
    ZMR
    CHEMBL222813
    DB00558
    ZINC000003918138    		 58 C12 H20 N4 O7 InChI=1S/C12H20N4O7/c1-4(
    18)15-8-5(16-12(13)14)2-7
    (11(21)22)23-10(8)9(20)6(
    19)3-17/h2,5-6,8-10,17,19
    -20H,3H2,1H3,(H,15,18)(H,
    21,22)(H4,13,14,16)/t5-,6
    +,8+,9+,10+/m0/s1;
    ARAIBEBZBOPLMB-UFGQHTETSA-N    		 CC(=O)N[CH]1[CH](NC(N)=N)C=C(O[CH]1[CH](
    O)[CH](O)CO)C(O)=O; C(=O)(O)C1=CC(C(NC(=
    O)C)C(O1)C(O)C(O)CO)N\C(=N)N; CC(=O)N[C@
    @H]1[C@@H](NC(N)=N)C=C(O[C@H]1[C@H](O)[C
    @H](O)CO)C(O)=O; CC(=O)NC1C(C=C(OC1C(C(C
    O)O)O)C(=O)O)NC(=N)N; [H]/N=C(\N)/N[C@H]
    1C=C(O[C@H]([C@@H]1NC(=O)C)[C@@H]([C@@H]
    (CO)O)O)C(=O)O    		 ZANAMIVIR;
    4-GUANIDINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID;
    4-guanidino-Neu5Ac2en;
    MODIFIED SIALIC ACID
    43985
    ZMS
    CHEMBL5204093    		 4 C62 H76 Cl2 F2 N14 O11 S2 InChI=1S/C62H76Cl2F2N14O1
    1S2/c1-37-33-67-59(75-55(
    37)69-43-11-15-47(63)51(3
    1-43)77-92(85,86)61(3,4)5
    )73-41-9-13-45(49(65)29-4
    1)57(83)71-39-17-21-79(22
    -18-39)53(81)35-90-27-25-
    89-26-28-91-36-54(82)80-2
    3-19-40(20-24-80)72-58(84
    )46-14-10-42(30-50(46)66)
    74-60-68-34-38(2)56(76-60
    )70-44-12-16-48(64)52(32-
    44)78-93(87,88)62(6,7)8/h
    9-16,29-34,39-40,77-78H,1
    7-28,35-36H2,1-8H3,(H,71,
    83)(H,72,84)(H2,67,69,73,
    75)(H2,68,70,74,76);
    QKJZSKDMERAPEK-UHFFFAOYSA-N    		 Cc1cnc(Nc2ccc(c(F)c2)C(=O)N[C@@H]3CCN(CC
    3)C(=O)COCCOCCOCC(=O)N4CC[C@@H](CC4)NC(=
    O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(N[S](=O)(
    =O)C(C)(C)C)c7)n6)cc5F)nc1Nc8ccc(Cl)c(N[
    S](=O)(=O)C(C)(C)C)c8; CC(C)(C)S(=O)(=O)
    Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc(c(F)c1)C
    (=O)NC1CCN(CC1)C(=O)COCCOCCOCC(=O)N1CCC(
    NC(=O)c2ccc(Nc3nc(Nc4ccc(Cl)c(NS(=O)(=O)
    C(C)(C)C)c4)c(C)cn3)cc2F)CC1; Cc1cnc(Nc2
    ccc(c(F)c2)C(=O)N[CH]3CCN(CC3)C(=O)COCCO
    CCOCC(=O)N4CC[CH](CC4)NC(=O)c5ccc(Nc6ncc
    (C)c(Nc7ccc(Cl)c(N[S](=O)(=O)C(C)(C)C)c7
    )n6)cc5F)nc1Nc8ccc(Cl)c(N[S](=O)(=O)C(C)
    (C)C)c8; Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O
    )C(C)(C)C)Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(C
    C4)C(=O)COCCOCCOCC(=O)N5CCC(CC5)NC(=O)c6
    ccc(cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(
    =O)C(C)(C)C)Cl)C    		 N,N'-{oxybis[(ethane-2,1-diyl)oxy(1-oxoethane-2,1-diyl)piperidine-1,4-diyl]}bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
    43986
    ZMT    		 1 C9 H11 N5 O S InChI=1S/C9H11N5OS/c1-2-5
    -14-9(11-12-13-14)10-8(15
    )7-4-3-6-16-7/h3-4,6H,2,5
    H2,1H3,(H,10,11,13,15);
    QNTKHVXKWRFNIW-UHFFFAOYSA-N    		 CCCn1nnnc1NC(=O)c2sccc2; CCCn1c(nnn1)NC(
    =O)c2cccs2    		 ~{N}-(1-propyl-1,2,3,4-tetrazol-5-yl)thiophene-2-carboxamide
    43987
    ZMV
    CHEMBL5178175    		 4 C66 H84 Cl2 F2 N14 O12 S2 InChI=1S/C66H84Cl2F2N14O1
    2S2/c1-41-39-71-63(79-59(
    41)73-47-11-15-51(67)55(3
    7-47)81-97(89,90)65(3,4)5
    )77-45-9-13-49(53(69)35-4
    5)61(87)75-43-17-23-83(24
    -18-43)57(85)21-27-93-29-
    31-95-33-34-96-32-30-94-2
    8-22-58(86)84-25-19-44(20
    -26-84)76-62(88)50-14-10-
    46(36-54(50)70)78-64-72-4
    0-42(2)60(80-64)74-48-12-
    16-52(68)56(38-48)82-98(9
    1,92)66(6,7)8/h9-16,35-40
    ,43-44,81-82H,17-34H2,1-8
    H3,(H,75,87)(H,76,88)(H2,
    71,73,77,79)(H2,72,74,78,
    80);
    AMHWRJBEKUEFFO-UHFFFAOYSA-N    		 Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C
    )Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)C
    COCCOCCOCCOCCC(=O)N5CCC(CC5)NC(=O)c6ccc(
    cc6F)Nc7ncc(c(n7)Nc8ccc(c(c8)NS(=O)(=O)C
    (C)(C)C)Cl)C; Cc1cnc(Nc2ccc(c(F)c2)C(=O)
    NC3CCN(CC3)C(=O)CCOCCOCCOCCOCCC(=O)N4CCC
    (CC4)NC(=O)c5ccc(Nc6ncc(C)c(Nc7ccc(Cl)c(
    N[S](=O)(=O)C(C)(C)C)c7)n6)cc5F)nc1Nc8cc
    c(Cl)c(N[S](=O)(=O)C(C)(C)C)c8; CC(C)(C)
    S(=O)(=O)Nc1cc(ccc1Cl)Nc1nc(ncc1C)Nc1ccc
    (c(F)c1)C(=O)NC1CCN(CC1)C(=O)CCOCCOCCOCC
    OCCC(=O)N1CCC(NC(=O)c2ccc(Nc3nc(Nc4ccc(C
    l)c(NS(=O)(=O)C(C)(C)C)c4)c(C)cn3)cc2F)C
    C1    		 N,N'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)di(piperidine-1,4-diyl)]bis{4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluorobenzamide}
    43988
    ZMW
    ZINC000014136244    		 1 C17 H19 N3 O3 InChI=1S/C17H19N3O3/c21-1
    6(15-7-4-12-23-15)19-8-10
    -20(11-9-19)17(22)18-13-1
    4-5-2-1-3-6-14/h1-7,12H,8
    -11,13H2,(H,18,22);
    QWLFDMKGVVLROL-UHFFFAOYSA-N    		 c1ccc(cc1)CNC(=O)N2CCN(CC2)C(=O)c3ccco3;
    O=C(N1CCN(CC1)C(=O)NCc1ccccc1)c1ccco1;
    O=C(NCc1ccccc1)N2CCN(CC2)C(=O)c3occc3    		 N-benzyl-4-(furan-2-carbonyl)piperazine-1-carboxamide
    43989
    ZMX    		 1 C28 H24 N4 O3 InChI=1S/C28H24N4O3/c1-18
    -13-15-20(16-14-18)24-17-
    29-27(35-24)23-12-8-7-11-
    22(23)26(33)30-25-19(2)31
    (3)32(28(25)34)21-9-5-4-6
    -10-21/h4-17H,1-3H3,(H,30
    ,33);
    MWAFTVRXNXVJSM-UHFFFAOYSA-N    		 CN1N(C(=O)C(=C1C)NC(=O)c2ccccc2c3oc(cn3)
    c4ccc(C)cc4)c5ccccc5; CC=1N(C)N(c2ccccc2
    )C(=O)C=1NC(=O)c1ccccc1c1ncc(o1)c1ccc(C)
    cc1; Cc1ccc(cc1)c2cnc(o2)c3ccccc3C(=O)NC
    4=C(N(N(C4=O)c5ccccc5)C)C    		 (2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
    43990
    ZMY    		 1 C26 H20 F6 N6 O2 InChI=1S/C26H20F6N6O2/c1-
    25(28,29)11-37-10-13-6-20
    (26(30,31)32)33-7-15(13)1
    7-9-35-24(38-12-36-21(22(
    17)38)23(37)39)34-8-16-14
    -4-5-40-19(14)3-2-18(16)2
    7/h2-3,6-7,9,12H,4-5,8,10
    -11H2,1H3,(H,34,35);
    VDAXDVLAEBLTFM-UHFFFAOYSA-N    		 FC(F)(F)c1ncc2c3cnc(NCc4c(F)ccc5OCCc45)n
    4cnc(c34)C(=O)N(CC(C)(F)F)Cc2c1; CC(CN1C
    c2cc(ncc2-c3cnc(n4c3c(nc4)C1=O)NCc5c(ccc
    6c5CCO6)F)C(F)(F)F)(F)F; CC(F)(F)CN1Cc2c
    c(ncc2c3cnc(NCc4c(F)ccc5OCCc45)n6cnc(C1=
    O)c36)C(F)(F)F    		 (9aP,12aR)-4-(2,2-difluoropropyl)-12-{[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]amino}-7-(trifluoromethyl)-4,5-dihydro-3H-2,4,8,11,12a-pentaazabenzo[4,5]cycloocta[1,2,3-cd]inden-3-one
    43991
    ZN
    CHEMBL1236970
    DB14532    		 65952 Zn InChI=1S/Zn/q+2;
    PTFCDOFLOPIGGS-UHFFFAOYSA-N    		 [Zn++]; [Zn+2] ZINC ION
    43992
    ZN0
    ZINC000195751443    		 2 C6 H15 Cl Sn InChI=1S/3C2H5.ClH.Sn/c3*
    1-2;;/h3*1H2,2H3;1H;/q;;;
    ;+1/p-1;
    PIMYDFDXAUVLON-UHFFFAOYSA-M    		 CC[Sn](Cl)(CC)CC; CC[Sn](CC)(CC)Cl Triethyltin chloride
    43993
    ZN1
    CHEMBL5188470    		 8 C64 H82 Cl F2 N15 O11 S2 InChI=1S/C64H82ClF2N15O11
    S2/c1-39-37-70-61(78-56(3
    9)72-46-11-14-51(65)54(36
    -46)81-95(89,90)64(6,7)8)
    76-44-10-13-50(53(67)35-4
    4)60(86)75-43-17-23-82(24
    -18-43)55(83)19-25-91-27-
    29-93-30-28-92-26-22-69-5
    8(84)41-31-47(33-48(32-41
    )80-94(87,88)63(3,4)5)73-
    57-40(2)38-71-62(79-57)77
    -45-9-12-49(52(66)34-45)5
    9(85)74-42-15-20-68-21-16
    -42/h9-14,31-38,42-43,68,
    80-81H,15-30H2,1-8H3,(H,6
    9,84)(H,74,85)(H,75,86)(H
    2,70,72,76,78)(H2,71,73,7
    7,79);
    DPQKUYBPPCXREN-UHFFFAOYSA-N    		 Cc1cnc(nc1Nc2ccc(c(c2)NS(=O)(=O)C(C)(C)C
    )Cl)Nc3ccc(c(c3)F)C(=O)NC4CCN(CC4)C(=O)C
    COCCOCCOCCNC(=O)c5cc(cc(c5)NS(=O)(=O)C(C
    )(C)C)Nc6c(cnc(n6)Nc7ccc(c(c7)F)C(=O)NC8
    CCNCC8)C; CC(C)(C)S(=O)(=O)Nc1cc(ccc1Cl)
    Nc1nc(ncc1C)Nc1ccc(c(F)c1)C(=O)NC1CCN(CC
    1)C(=O)CCOCCOCCOCCNC(=O)c1cc(Nc2nc(Nc3cc
    c(C(=O)NC4CCNCC4)c(F)c3)ncc2C)cc(NS(=O)(
    =O)C(C)(C)C)c1; Cc1cnc(Nc2ccc(c(F)c2)C(=
    O)NC3CCN(CC3)C(=O)CCOCCOCCOCCNC(=O)c4cc(
    Nc5nc(Nc6ccc(c(F)c6)C(=O)NC7CCNCC7)ncc5C
    )cc(N[S](=O)(=O)C(C)(C)C)c4)nc1Nc8ccc(Cl
    )c(N[S](=O)(=O)C(C)(C)C)c8    		 4-[(4-{4-chloro-3-[(2-methylpropane-2-sulfonyl)amino]anilino}-5-methylpyrimidin-2-yl)amino]-2-fluoro-N-[1-(14-{3-[(2-{3-fluoro-4-[(piperidin-4-yl)carbamoyl]anilino}-5-methylpyrimidin-4-yl)amino]-5-[(2-methylpropane-2-sulfonyl)amino]phenyl}-14-oxo-4,7,10-trioxa-13-azatetradecanan-1-oyl)piperidin-4-yl]benzamide
    43994
    ZN2    		 0 Zn InChI=1/Zn/q+2;
    PTFCDOFLOPIGGS-UHFFFAOYAK    		 [Zn++]; [Zn+2] ZINC ION ON 3-FOLD CRYSTAL AXIS
    43995
    ZN3    		 0 H2 O Zn InChI=1/H2O.Zn/h1H2;/q;+2
    /rH2OZn/c1-2/h1H2/q+2;
    ZQCBNXKMJXYCKX-TWYXQZJZAD    		 [OH2][Zn+2]; O|[Zn++] ZINC ION, 1 WATER COORDINATED
    43996
    ZN4
    CHEMBL3087808    		 2 C13 H21 Cl N2 O2 S InChI=1S/C13H21ClN2O2S/c1
    -3-16(4-2)10-9-15-19(17,1
    8)11-12-5-7-13(14)8-6-12/
    h5-8,15H,3-4,9-11H2,1-2H3;
    MKQJIDUAXALKCV-UHFFFAOYSA-N    		 Clc1ccc(cc1)CS(=O)(=O)NCCN(CC)CC; CCN(CC
    )CCNS(=O)(=O)Cc1ccc(cc1)Cl; CCN(CC)CCN[S
    ](=O)(=O)Cc1ccc(Cl)cc1    		 1-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]methanesulfonamide
    43997
    ZN5
    ZINC000195761291    		 1 C2 H6 Br2 Sn InChI=1S/2CH3.2BrH.Sn/h2*
    1H3;2*1H;/q;;;;+2/p-2;
    DOHQOGRRQASQAR-UHFFFAOYSA-L    		 C[Sn](C)(Br)Br Dimethyltin dibromide
    43998
    ZN6
    ZINC000195768219    		 2 C4 H10 Cl2 Sn InChI=1S/2C2H5.2ClH.Sn/c2
    *1-2;;;/h2*1H2,2H3;2*1H;/
    q;;;;+2/p-2;
    YFAXVVMIXZAKSR-UHFFFAOYSA-L    		 CC[Sn](CC)(Cl)Cl; CC[Sn](Cl)(Cl)CC Diethyltin dichloride
    43999
    ZN7    		 2 C4 H10 Br2 Pb InChI=1S/2C2H5.2BrH.Pb/c2
    *1-2;;;/h2*1H2,2H3;2*1H;/
    q;;;;+2/p-2;
    NLGLCLGKFLUNCK-UHFFFAOYSA-L    		 CC[Pb](Br)(Br)CC; CC[Pb](CC)(Br)Br DIETHYLLEAD DIBROMIDE
    44000
    ZN8
    ZINC000169743040    		 1 C3 H9 Cl Sn InChI=1S/3CH3.ClH.Sn/h3*1
    H3;1H;/q;;;;+1/p-1;
    KWTSZCJMWHGPOS-UHFFFAOYSA-M    		 C[Sn](C)(C)Cl Trimethyltin chloride
    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).

    • yangzhanglabumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218