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  • 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 ";".

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    20201
    FPM
    CHEMBL556262
    DB12190
    ZINC000003959242    		 3 C12 H15 N O5 S InChI=1S/C12H15NO5S/c1-5(
    14)7-10(15)13-8(12(16)17)
    9(19-11(7)13)6-3-2-4-18-6
    /h5-7,11,14H,2-4H2,1H3,(H
    ,16,17)/t5-,6-,7+,11-/m1/
    s1;
    HGGAKXAHAYOLDJ-FHZUQPTBSA-N    		 C[C@H]([C@@H]1[C@@H]2N(C1=O)C(=C(S2)[C@H
    ]3CCCO3)C(=O)O)O; C[C@@H](O)[C@@H]1[C@H]
    2SC(=C(N2C1=O)C(O)=O)[C@H]3CCCO3; CC(C1C
    2N(C1=O)C(=C(S2)C3CCCO3)C(=O)O)O; C[CH](
    O)[CH]1[CH]2SC(=C(N2C1=O)C(O)=O)[CH]3CCC
    O3; O=C2N1C(=C(SC1C2C(O)C)C3OCCC3)C(=O)O    		 (5R,6S)-6-(1-hydroxyethyl)-7-oxo-3-[(2R)-oxolan-2-yl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;
    Faropenem
    20202
    FPN
    CHEMBL56226
    ZINC000000164463    		 4 C6 H5 F O InChI=1S/C6H5FO/c7-5-1-3-
    6(8)4-2-5/h1-4,8H;
    RHMPLDJJXGPMEX-UHFFFAOYSA-N    		 Oc1ccc(F)cc1; Fc1ccc(O)cc1; c1cc(ccc1O)F 4-FLUOROPHENOL
    20203
    FPO
    DB02348    		 1 F O3 P InChI=1S/FH2O3P/c1-5(2,3)
    4/h(H2,2,3,4)/p-2;
    DWYMPOCYEZONEA-UHFFFAOYSA-L    		 [O-][P]([O-])(F)=O; [O-]P(=O)([O-])F; [O
    -]P([O-])(F)=O    		 FLUORO-PHOSPHITE ION
    20204
    FPP
    CHEMBL69330
    DB07780
    ZINC000012494625    		 101 C15 H28 O7 P2 InChI=1S/C15H28O7P2/c1-13
    (2)7-5-8-14(3)9-6-10-15(4
    )11-12-21-24(19,20)22-23(
    16,17)18/h7,9,11H,5-6,8,1
    0,12H2,1-4H3,(H,19,20)(H2
    ,16,17,18)/b14-9+,15-11+;
    VWFJDQUYCIWHTN-YFVJMOTDSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)O[P](
    O)(O)=O; O=P(OC/C=C(/CC\C=C(/C)CC\C=C(/C
    )C)C)(OP(=O)(O)O)O; CC(=CCC/C(=C/CC/C(=C
    /CO[P@@](=O)(O)OP(=O)(O)O)/C)/C)C; CC(C)
    =CCCC(/C)=C/CCC(/C)=C/CO[P@](O)(=O)O[P](
    O)(O)=O; CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=
    O)(O)O)C)C)C    		 FARNESYL DIPHOSPHATE
    20205
    FPQ
    ZINC000098208897    		 8 C18 H31 O7 P InChI=1S/C18H31O7P/c1-14(
    2)7-5-8-15(3)9-6-10-16(4)
    11-12-24-17(18(19)20)13-2
    5-26(21,22)23/h7,9,11,17H
    ,5-6,8,10,12-13H2,1-4H3,(
    H,19,20)(H2,21,22,23)/b15
    -9+,16-11-/t17-/m1/s1;
    SLQQIKXGDCLCGX-XLGHFPRDSA-N    		 CC(=CCC/C(=C/CC/C(=C\CO[C@H](COP(=O)(O)O
    )C(=O)O)/C)/C)C; O=C(O)C(OC/C=C(/C)CC\C=
    C(/C)CC\C=C(/C)C)COP(=O)(O)O; CC(C)=CCCC
    (C)=CCCC(C)=CCO[CH](CO[P](O)(O)=O)C(O)=O
    ; CC(=CCCC(=CCCC(=CCOC(COP(=O)(O)O)C(=O)
    O)C)C)C; CC(C)=CCCC(/C)=C/CCC(\C)=C/CO[C
    @H](CO[P](O)(O)=O)C(O)=O    		 (2R)-3-(phosphonooxy)-2-{[(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl]oxy}propanoic acid
    20206
    FPR
    ZINC000098208898    		 0 C13 H17 N O3 InChI=1S/C13H17NO3/c14-11
    (9-13(16)17)12(15)8-4-7-1
    0-5-2-1-3-6-10/h1-3,5-6,1
    1H,4,7-9,14H2,(H,16,17)/t
    11-/m0/s1;
    QYEQYTJKGDCZPC-NSHDSACASA-N    		 c1ccc(cc1)CCCC(=O)[C@H](CC(=O)O)N; c1ccc
    (cc1)CCCC(=O)C(CC(=O)O)N; N[CH](CC(O)=O)
    C(=O)CCCc1ccccc1; N[C@@H](CC(O)=O)C(=O)C
    CCc1ccccc1; O=C(O)CC(N)C(=O)CCCc1ccccc1    		 (3S)-3-amino-4-oxo-7-phenylheptanoic acid
    20207
    FPS
    DB04695
    ZINC000012504468    		 68 C15 H28 O6 P2 S InChI=1S/C15H28O6P2S/c1-1
    3(2)7-5-8-14(3)9-6-10-15(
    4)11-12-24-23(19,20)21-22
    (16,17)18/h7,9,11H,5-6,8,
    10,12H2,1-4H3,(H,19,20)(H
    2,16,17,18)/b14-9+,15-11+;
    MYMLCRQRXFRQGP-YFVJMOTDSA-N    		 O=P(O)(OP(=O)(O)O)SC/C=C(/CC/C=C(\C)CC\C
    =C(/C)C)C; CC(=CCC/C(=C/CC/C(=C/CS[P@@](
    =O)(O)OP(=O)(O)O)/C)/C)C; CC(C)=CCCC(C)=
    CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O; CC(C)
    =CCC/C(C)=C/CCC(/C)=C/CS[P](O)(=O)O[P](O
    )(O)=O; CC(=CCCC(=CCCC(=CCSP(=O)(O)OP(=O
    )(O)O)C)C)C    		 S-[(2E,6E)-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENYL] TRIHYDROGEN THIODIPHOSPHATE;
    FARNESYL THIOPYROPHOSPHATE
    20208
    FPT
    DB07781
    ZINC000003873317    		 1 C16 H16 F N5 O S InChI=1S/C16H16FN5OS/c1-2
    -23-13-6-8-19-12(15(13)17
    )5-7-20-16(24)22-14-4-3-1
    1(9-18)10-21-14/h3-4,6,8,
    10H,2,5,7H2,1H3,(H2,20,21
    ,22,24);
    PQSCCWFMTRVFDA-UHFFFAOYSA-N    		 CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C#N; S=
    C(Nc1ncc(C#N)cc1)NCCc2nccc(OCC)c2F; CCOc
    1ccnc(CCNC(=S)Nc2ccc(cn2)C#N)c1F    		 N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-NITRILOMETHYL-PYRIDYL]-THIOUREA
    20209
    FPU
    ZINC000089469759    		 1 C26 H24 N4 O4 InChI=1S/C26H24N4O4/c1-32
    -23-13-19-20(14-24(23)33-
    2)27-11-10-22(19)34-17-8-
    9-25(28-15-17)30-26(31)29
    -21-12-18(21)16-6-4-3-5-7
    -16/h3-11,13-15,18,21H,12
    H2,1-2H3,(H2,28,29,30,31)
    /t18-,21+/m0/s1;
    MRWNNBQFJVSSHG-GHTZIAJQSA-N    		 COc1cc2nccc(Oc3ccc(NC(=O)N[CH]4C[CH]4c5c
    cccc5)nc3)c2cc1OC; COc1cc2c(ccnc2cc1OC)O
    c3ccc(nc3)NC(=O)NC4CC4c5ccccc5; O=C(Nc3n
    cc(Oc1c2cc(OC)c(OC)cc2ncc1)cc3)NC5CC5c4c
    cccc4; COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC
    (=O)N[C@@H]4C[C@H]4c5ccccc5; COc1cc2nccc
    (Oc3ccc(NC(=O)N[C@@H]4C[C@H]4c5ccccc5)nc
    3)c2cc1OC    		 1-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-3-[(1R,2S)-2-phenylcyclopropyl]urea
    20210
    FPW
    CHEMBL3125861
    ZINC000087613159    		 1 C29 H24 N4 O5 InChI=1S/C29H24N4O5/c1-36
    -25-15-22-23(16-26(25)37-
    2)30-13-12-24(22)38-20-10
    -11-27(31-17-20)32-28(34)
    21-9-6-14-33(29(21)35)18-
    19-7-4-3-5-8-19/h3-17H,18
    H2,1-2H3,(H,31,32,34);
    MIRAJAFOEINWJO-UHFFFAOYSA-N    		 COc1cc2c(ccnc2cc1OC)Oc3ccc(nc3)NC(=O)C4=
    CC=CN(C4=O)Cc5ccccc5; COc1cc2nccc(Oc3ccc
    (NC(=O)C4=CC=CN(Cc5ccccc5)C4=O)nc3)c2cc1
    OC; O=C(C1=CC=CN(C1=O)Cc2ccccc2)Nc5ncc(O
    c3c4cc(OC)c(OC)cc4ncc3)cc5    		 1-benzyl-N-{5-[(6,7-dimethoxyquinolin-4-yl)oxy]pyridin-2-yl}-2-oxo-1,2-dihydropyridine-3-carboxamide
    20211
    FPX
    CHEMBL4065618
    ZINC000089469766    		 1 C29 H22 F3 N5 O2 InChI=1S/C29H22F3N5O2/c1-
    17-11-12-22(34-26(38)18-7
    -6-8-20(13-18)29(30,31)32
    )15-23(17)24-14-19-16-33-
    28(35-21-9-4-3-5-10-21)36
    -25(19)37(2)27(24)39/h3-1
    6H,1-2H3,(H,34,38)(H,33,3
    5,36);
    IMLLFFIWQIAPHC-UHFFFAOYSA-N    		 CN1C(=O)C(=Cc2cnc(Nc3ccccc3)nc12)c4cc(NC
    (=O)c5cccc(c5)C(F)(F)F)ccc4C; FC(F)(F)c1
    cccc(c1)C(=O)Nc5cc(C4=Cc2c(nc(nc2)Nc3ccc
    cc3)N(C4=O)C)c(cc5)C; Cc1ccc(cc1C2=Cc3cn
    c(nc3N(C2=O)C)Nc4ccccc4)NC(=O)c5cccc(c5)
    C(F)(F)F    		 N-{4-methyl-3-[8-methyl-7-oxo-2-(phenylamino)-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl]phenyl}-3-(trifluoromethyl)benzamide
    20212
    FPY
    DB04135
    ZINC000005834564    		 3 C4 H5 F N2 O2 InChI=1S/C4H5FN2O2/c5-2-1
    -6-4(9)7-3(2)8/h1,3,8H,(H
    2,6,7,9)/t3-/m0/s1;
    PRVUBDAKZJCBTI-VKHMYHEASA-N    		 C1=C([C@@H](NC(=O)N1)O)F; C1=C(C(NC(=O)N
    1)O)F; O[C@@H]1NC(=O)NC=C1F; O[CH]1NC(=O
    )NC=C1F; FC1=CNC(=O)NC1O    		 (4S)-5-FLUORO-4-HYDROXY-3,4-DIHYDROPYRIMIDIN-2(1H)-ONE;
    5-FLUORO-4-(S)-HYDROXY-3,4-DIHYDROPYRIMIDINE
    20213
    FPZ
    CHEMBL1448331
    ZINC000008585891    		 1 C18 H15 P InChI=1S/C18H15P/c1-4-10-
    16(11-5-1)19(17-12-6-2-7-
    13-17)18-14-8-3-9-15-18/h
    1-15H;
    RIOQSEWOXXDEQQ-UHFFFAOYSA-N    		 c1ccc(cc1)P(c2ccccc2)c3ccccc3; c1cccc(c1
    )P(c2ccccc2)c3ccccc3    		 triphenylphosphane
    20214
    FQ0
    CHEMBL141076
    ZINC000013479528    		 12 C18 H32 O3 InChI=1S/C18H32O3/c1-15(2
    )7-5-8-16(3)9-6-10-17(4)1
    1-12-21-18(13-19)14-20/h7
    ,9,11,18-20H,5-6,8,10,12-
    14H2,1-4H3/b16-9+,17-11+;
    CANVIAXUPVPMNA-BTMZFSHUSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCOC(CO)CO; CC(=CC
    C/C(=C/CC/C(=C/COC(CO)CO)/C)/C)C; CC(C)=
    CCCC(/C)=C/CCC(/C)=C/COC(CO)CO; CC(=CCCC
    (=CCCC(=CCOC(CO)CO)C)C)C    		 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,3-diol
    20215
    FQ1    		 2 C29 H38 F2 N2 O8 S InChI=1S/C29H38F2N2O8S/c1
    -18(2)16-33(42(36,37)23-6
    -4-22(38-3)5-7-23)17-26(3
    4)25(14-19-12-20(30)15-21
    (31)13-19)32-29(35)41-27-
    9-11-40-28-24(27)8-10-39-
    28/h4-7,12-13,15,18,24-28
    ,34H,8-11,14,16-17H2,1-3H
    3,(H,32,35)/t24-,25-,26+,
    27-,28+/m0/s1;
    HRXJYCTXLRLZAD-AJIIGFCHSA-N    		 CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(
    =O)O[C@H]2CCO[C@@H]3[C@H]2CCO3)O)S(=O)(=
    O)c4ccc(cc4)OC; CC(C)CN(CC(C(Cc1cc(cc(c1
    )F)F)NC(=O)OC2CCOC3C2CCO3)O)S(=O)(=O)c4c
    cc(cc4)OC; COc1ccc(cc1)[S](=O)(=O)N(CC(C
    )C)C[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O
    )O[C@H]3CCO[C@H]4OCC[C@@H]34; c1(OC)ccc(
    cc1)S(=O)(N(CC(C(Cc2cc(cc(c2)F)F)NC(=O)O
    C3CCOC4OCCC34)O)CC(C)C)=O; COc1ccc(cc1)[
    S](=O)(=O)N(CC(C)C)C[CH](O)[CH](Cc2cc(F)
    cc(F)c2)NC(=O)O[CH]3CCO[CH]4OCC[CH]34    		 (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
    20216
    FQ3    		 5 C11 H12 O3 InChI=1S/C11H12O3/c1-11(2
    )13-7-9-5-8(6-12)3-4-10(9
    )14-11/h3-6H,7H2,1-2H3;
    KNGWEAQJZJKFLI-UHFFFAOYSA-N    		 CC1(C)OCc2cc(C=O)ccc2O1; CC1(OCc2cc(ccc2
    O1)C=O)C    		 2,2-dimethyl-4H-1,3-benzodioxine-6-carbaldehyde;
    2,2-dimethyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde
    20217
    FQ4    		 2 C29 H39 F N2 O8 S InChI=1S/C29H39FN2O8S/c1-
    19(2)17-32(41(35,36)23-10
    -8-22(37-3)9-11-23)18-26(
    33)25(16-20-4-6-21(30)7-5
    -20)31-29(34)40-27-13-15-
    39-28-24(27)12-14-38-28/h
    4-11,19,24-28,33H,12-18H2
    ,1-3H3,(H,31,34)/t24-,25-
    ,26+,27-,28+/m0/s1;
    NIQHANOAJHWKET-AJIIGFCHSA-N    		 CC(C)CN(CC(C(Cc1ccc(cc1)F)NC(=O)OC2CCOC3
    C2CCO3)O)S(=O)(=O)c4ccc(cc4)OC; CC(C)CN(
    C[C@H]([C@H](Cc1ccc(cc1)F)NC(=O)O[C@H]2C
    CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4
    )OC; COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[C
    @@H](O)[C@H](Cc2ccc(F)cc2)NC(=O)O[C@H]3C
    CO[C@H]4OCC[C@@H]34; COc1ccc(cc1)[S](=O)
    (=O)N(CC(C)C)C[CH](O)[CH](Cc2ccc(F)cc2)N
    C(=O)O[CH]3CCO[CH]4OCC[CH]34; c1(OC)ccc(
    cc1)S(=O)(N(CC(C)C)CC(C(Cc2ccc(cc2)F)NC(
    =O)OC3CCOC4C3CCO4)O)=O    		 (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-1-(4-fluorophenyl)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
    20218
    FQ5
    CHEMBL3774537
    ZINC000653728054    		 6 C23 H23 Cl N6 O InChI=1S/C23H23ClN6O/c24-
    19-3-1-2-18(12-19)17-6-10
    -29(11-7-17)9-5-16-13-28-
    30(14-16)22-21-20(4-8-25-
    22)23(31)27-15-26-21/h1-4
    ,8,12-15,17H,5-7,9-11H2,(
    H,26,27,31);
    LDSDVQOOEYCWQS-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)C2CCN(CC2)CCc3cnn(c3)c4c5c
    (ccn4)C(=O)NC=N5; Clc1cccc(c1)C2CCN(CC2)
    CCc3cnn(c3)c4nccc5C(=O)NC=Nc45    		 8-[4-[2-[4-(3-chlorophenyl)piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    20219
    FQ6    		 1 C9 H8 O3 InChI=1S/C9H8O3/c10-4-7-1
    -2-9-8(3-7)5-11-6-12-9/h1
    -4H,5-6H2;
    GNQQVGXSVAZLGQ-UHFFFAOYSA-N    		 c1cc2c(cc1C=O)COCO2; O=Cc1ccc2OCOCc2c1 4H-1,3-benzodioxine-6-carbaldehyde;
    4H-benzo[d][1,3]dioxine-6-carbaldehyde
    20220
    FQ7
    CHEMBL22876
    ZINC000012956293    		 3 C13 H9 Cl2 N O2 InChI=1S/C13H9Cl2NO2/c14-
    8-5-9(15)7-10(6-8)16-12-4
    -2-1-3-11(12)13(17)18/h1-
    7,16H,(H,17,18);
    FNGSQOJHNAYHAT-UHFFFAOYSA-N    		 c2ccc(C(O)=O)c(Nc1cc(Cl)cc(c1)Cl)c2; OC(
    =O)c1ccccc1Nc2cc(Cl)cc(Cl)c2; c1ccc(c(c1
    )C(=O)O)Nc2cc(cc(c2)Cl)Cl    		 2-[(3,5-dichlorophenyl)amino]benzoic acid
    20221
    FQ8    		 36 C15 H35 O22 P3 InChI=1S/C15H35O22P3/c16-
    1-7(17)13(23)9(19)3-34-39
    (29,30)36-5-11(21)15(25)1
    2(22)6-37-40(31,32)35-4-1
    0(20)14(24)8(18)2-33-38(2
    6,27)28/h7-25H,1-6H2,(H,2
    9,30)(H,31,32)(H2,26,27,2
    8)/t7-,8-,9+,10+,11+,12-,
    13-,14-,15+/m0/s1;
    OFDIUZNQYOUSRP-VACZDDTMSA-N    		 C([C@@H]([C@@H]([C@@H](COP(=O)(O)OC[C@H]
    ([C@H]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@
    H](COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O; C(C(
    C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(
    COP(=O)(O)O)O)O)O)O)O)O)O)O)O)O; OC[CH](
    O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH
    ](O)[CH](O)CO[P](O)(=O)OC[CH](O)[CH](O)[
    CH](O)CO[P](O)(O)=O; OC[C@H](O)[C@H](O)[
    C@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[
    C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)
    [C@@H](O)CO[P](O)(O)=O
    20222
    FQ9    		 1 C10 H10 O3 InChI=1S/C10H10O3/c1-7-12
    -6-9-4-8(5-11)2-3-10(9)13
    -7/h2-5,7H,6H2,1H3/t7-/m0
    /s1;
    OUSHWSCHEPRJRW-ZETCQYMHSA-N    		 C[C@H]1OCc2cc(ccc2O1)C=O; CC1OCc2cc(ccc2
    O1)C=O; C[CH]1OCc2cc(C=O)ccc2O1; C[C@H]1
    OCc2cc(C=O)ccc2O1    		 (2S)-2-methyl-4H-1,3-benzodioxine-6-carbaldehyde;
    (2S)-2-methyl-4H-benzo[d][1,3]dioxine-6-carbaldehyde
    20223
    FQA    		 0 C13 H20 N2 O2 InChI=1S/C13H20N2O2/c14-1
    2(13(16)17)8-4-5-9-15-10-
    11-6-2-1-3-7-11/h1-3,6-7,
    12,15H,4-5,8-10,14H2,(H,1
    6,17)/t12-/m0/s1;
    QHFWIZMMKPGTRI-LBPRGKRZSA-N    		 c1ccc(cc1)CNCCCCC(C(=O)O)N; c1ccc(cc1)CN
    CCCC[C@@H](C(=O)O)N; NC(C(O)=O)CCCCNCc1c
    cccc1; N[C@@H](CCCCNCc1ccccc1)C(O)=O; N[
    CH](CCCCNCc1ccccc1)C(O)=O    		 N~6~-benzyl-L-lysine
    20224
    FQB
    CHEMBL4585876    		 4 C27 H33 N7 O InChI=1S/C27H33N7O/c1-32(
    2)13-8-20-3-5-22(6-4-20)2
    3-10-15-33(16-11-23)14-9-
    21-17-31-34(18-21)26-25-2
    4(7-12-28-26)27(35)30-19-
    29-25/h3-7,12,17-19,23H,8
    -11,13-16H2,1-2H3,(H,29,3
    0,35);
    YSKANQRCYYKDSC-UHFFFAOYSA-N    		 CN(C)CCc1ccc(cc1)C2CCN(CC2)CCc3cnn(c3)c4
    nccc5C(=O)NC=Nc45; CN(C)CCc1ccc(cc1)C2CC
    N(CC2)CCc3cnn(c3)c4c5c(ccn4)C(=O)NC=N5    		 8-[4-[2-[4-[4-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    20225
    FQC
    CHEMBL481473
    ZINC000002382736    		 2 C16 H8 Cl2 F N5 O InChI=1S/C16H8Cl2FN5O/c17
    -9-1-4-14(12(18)5-9)24-15
    (25)11-6-10(19)2-3-13(11)
    22-16(24)23-8-20-7-21-23/
    h1-8H;
    IJJVMEJXYNJXOJ-UHFFFAOYSA-N    		 c1cc2c(cc1F)C(=O)N(C(=N2)n3cncn3)c4ccc(c
    c4Cl)Cl; Fc1ccc2N=C(n3cncn3)N(C(=O)c2c1)
    c4ccc(Cl)cc4Cl    		 3-(2,4-dichlorophenyl)-6-fluoranyl-2-(1,2,4-triazol-1-yl)quinazolin-4-one;
    Fluquinconazole
    20226
    FQD
    CHEMBL1532322
    ZINC000008666451    		 2 C12 H7 F N2 O S InChI=1S/C12H7FN2OS/c13-8
    -3-1-7(2-4-8)9-5-17-12-10
    (9)11(16)14-6-15-12/h1-6H
    ,(H,14,15,16);
    DARIIFLATJJEOB-UHFFFAOYSA-N    		 c2(c1ccc(F)cc1)csc3c2C(=O)NC=N3; c1cc(cc
    c1c2csc3c2C(=O)NC=N3)F; Fc1ccc(cc1)c2csc
    3N=CNC(=O)c23    		 5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4(3H)-one
    20227
    FQE
    CHEMBL4438830    		 4 C27 H33 N7 O InChI=1S/C27H33N7O/c1-32(
    2)12-7-20-4-3-5-23(16-20)
    22-9-14-33(15-10-22)13-8-
    21-17-31-34(18-21)26-25-2
    4(6-11-28-26)27(35)30-19-
    29-25/h3-6,11,16-19,22H,7
    -10,12-15H2,1-2H3,(H,29,3
    0,35);
    VQBICUVJQVNKBH-UHFFFAOYSA-N    		 CN(C)CCc1cccc(c1)C2CCN(CC2)CCc3cnn(c3)c4
    c5c(ccn4)C(=O)NC=N5; CN(C)CCc1cccc(c1)C2
    CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc45    		 8-[4-[2-[4-[3-[2-(dimethylamino)ethyl]phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    20228
    FQF    		 8 C18 H32 O3 InChI=1S/C18H32O3/c1-15(2
    )7-5-8-16(3)9-6-10-17(4)1
    1-12-21-14-18(20)13-19/h7
    ,9,11,18-20H,5-6,8,10,12-
    14H2,1-4H3/b16-9+,17-11+/
    t18-/m1/s1;
    VGIZXGYRSPTVQF-LEAVJPGDSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO; CC(
    =CCC/C(=C/CC/C(=C/COC[C@@H](CO)O)/C)/C)C
    ; CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C; CC(C
    )=CCCC(/C)=C/CC/C(C)=C/COC[C@H](O)CO    		 (2R)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
    20229
    FQG
    CHEMBL3891994    		 1 C26 H23 Cl2 N5 O3 InChI=1S/C26H23Cl2N5O3/c1
    -26(2,36)15-30-25(35)22-1
    4-23(33(32-22)16-8-4-3-5-
    9-16)31-24(34)18-12-17(19
    (27)13-20(18)28)21-10-6-7
    -11-29-21/h3-14,36H,15H2,
    1-2H3,(H,30,35)(H,31,34);
    NXDRKVFQQJUBOG-UHFFFAOYSA-N    		 CC(C)(CNC(=O)c1cc(n(n1)c2ccccc2)NC(=O)c3
    cc(c(cc3Cl)Cl)c4ccccn4)O; CC(C)(O)CNC(=O
    )c1cc(NC(=O)c2cc(c(Cl)cc2Cl)c3ccccn3)n(n
    1)c4ccccc4; C(c3nn(c(NC(c1c(Cl)cc(Cl)c(c
    1)c2ncccc2)=O)c3)c4ccccc4)(=O)NCC(O)(C)C    		 5-{[2,4-dichloro-5-(pyridin-2-yl)benzene-1-carbonyl]amino}-N-(2-hydroxy-2-methylpropyl)-1-phenyl-1H-pyrazole-3-carboxamide
    20230
    FQH
    CHEMBL3775548
    ZINC000653730611    		 4 C24 H23 F3 N6 O InChI=1S/C24H23F3N6O/c25-
    24(26,27)19-3-1-2-18(12-1
    9)17-6-10-32(11-7-17)9-5-
    16-13-31-33(14-16)22-21-2
    0(4-8-28-22)23(34)30-15-2
    9-21/h1-4,8,12-15,17H,5-7
    ,9-11H2,(H,29,30,34);
    ZBLHURFMYIWFIY-UHFFFAOYSA-N    		 c1cc(cc(c1)C(F)(F)F)C2CCN(CC2)CCc3cnn(c3
    )c4c5c(ccn4)C(=O)NC=N5; FC(F)(F)c1cccc(c
    1)C2CCN(CC2)CCc3cnn(c3)c4nccc5C(=O)NC=Nc
    45    		 8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    20231
    FQI
    CHEMBL3608990
    ZINC000002753342    		 1 C5 H4 Cl N O S InChI=1S/C5H4ClNOS/c6-4-2
    -1-3(9-4)5(7)8/h1-2H,(H2,
    7,8);
    OMOBWMBJNNCUFO-UHFFFAOYSA-N    		 O=C(N)c1sc(Cl)cc1; c1cc(sc1C(=O)N)Cl; NC
    (=O)c1sc(Cl)cc1    		 5-CHLORO-2-THIOPHENECARBOXAMIDE
    20232
    FQJ
    CHEMBL1896117
    ZINC000006881779    		 1 C17 H13 Cl2 N3 O InChI=1S/C17H13Cl2N3O/c1-
    11-9-16(22(21-11)13-5-3-2
    -4-6-13)20-17(23)14-8-7-1
    2(18)10-15(14)19/h2-10H,1
    H3,(H,20,23);
    AJPLAFYBSJYISV-UHFFFAOYSA-N    		 Cc1cc(n(n1)c2ccccc2)NC(=O)c3ccc(cc3Cl)Cl
    ; n1n(c(cc1C)NC(c2ccc(cc2Cl)Cl)=O)c3cccc
    c3; Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(n1)c3cc
    ccc3    		 2,4-dichloro-N-(3-methyl-1-phenyl-1H-pyrazol-5-yl)benzamide
    20233
    FQK
    CHEMBL4525269    		 1 C20 H24 N6 O InChI=1S/C20H24N6O/c27-20
    -17-4-7-21-19(18(17)22-13
    -23-20)26-12-16(10-24-26)
    15-5-8-25(9-6-15)11-14-2-
    1-3-14/h4,7,10,12-15H,1-3
    ,5-6,8-9,11H2,(H,22,23,27
    );
    FQYVJQRHNLIPIK-UHFFFAOYSA-N    		 O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)CC5C
    CC5; c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN
    (CC4)CC5CCC5    		 8-[4-[1-(cyclobutylmethyl)piperidin-4-yl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    20234
    FQL
    CHEMBL4739986    		 2 C17 H20 Cl2 N4 O3 InChI=1S/C17H20Cl2N4O3/c1
    -10(24)15(20-2)16(25)21-5
    -3-4-6-23-9-22-14-8-13(19
    )12(18)7-11(14)17(23)26/h
    3-4,7-10,15,20,24H,5-6H2,
    1-2H3,(H,21,25)/b4-3+/t10
    -,15+/m1/s1;
    JMUJNICGYNVYJM-BXFHZFJXSA-N    		 CN[CH]([CH](C)O)C(=O)NCC=CCN1C=Nc2cc(Cl)
    c(Cl)cc2C1=O; CC(C(C(=O)NCC=CCN1C=Nc2cc(
    c(cc2C1=O)Cl)Cl)NC)O; C[C@H]([C@@H](C(=O
    )NC/C=C/CN1C=Nc2cc(c(cc2C1=O)Cl)Cl)NC)O;
    CN[C@@H]([C@@H](C)O)C(=O)NC/C=C/CN1C=Nc
    2cc(Cl)c(Cl)cc2C1=O    		 (2S,3R)-N-[(E)-4-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]but-2-enyl]-2-(methylamino)-3-oxidanyl-butanamide
    20235
    FQM
    CHEMBL4460719    		 1 C22 H17 Cl N6 O2 InChI=1S/C22H17ClN6O2/c23
    -16-10-9-13(17-7-4-8-19(2
    4)26-17)11-15(16)22(31)27
    -20-12-18(21(25)30)28-29(
    20)14-5-2-1-3-6-14/h1-12H
    ,(H2,24,26)(H2,25,30)(H,2
    7,31);
    YVUMGRGBUXDTQI-UHFFFAOYSA-N    		 NC(=O)c1cc(NC(=O)c2cc(ccc2Cl)c3cccc(N)n3
    )n(n1)c4ccccc4; c1ccc(cc1)n2c(cc(C(=O)N)
    n2)NC(c3cc(ccc3Cl)c4cccc(n4)N)=O; c1ccc(
    cc1)n2c(cc(n2)C(=O)N)NC(=O)c3cc(ccc3Cl)c
    4cccc(n4)N    		 5-{[5-(6-aminopyridin-2-yl)-2-chlorobenzene-1-carbonyl]amino}-1-phenyl-1H-pyrazole-3-carboxamide
    20236
    FQN
    CHEMBL4529932    		 5 C20 H24 N6 O InChI=1S/C20H24N6O/c27-20
    -17-5-8-21-19(18(17)22-13
    -23-20)26-12-15(11-24-26)
    14-6-9-25(10-7-14)16-3-1-
    2-4-16/h5,8,11-14,16H,1-4
    ,6-7,9-10H2,(H,22,23,27);
    XYBBSEAKIBCXQV-UHFFFAOYSA-N    		 O=C1NC=Nc2c1ccnc2n3cc(cn3)C4CCN(CC4)C5CC
    CC5; c1cnc(c2c1C(=O)NC=N2)n3cc(cn3)C4CCN
    (CC4)C5CCCC5    		 8-[4-(1-cyclopentylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    20237
    FQP
    DB07782
    ZINC000013517846    		 2 C6 H8 F3 N3 O7 P2 InChI=1S/C6H8F3N3O7P2/c7-
    6(8,9)5-11-1-3(4(10)12-5)
    2-18-21(16,17)19-20(13,14
    )15/h1H,2H2,(H,16,17)(H2,
    10,11,12)(H2,13,14,15);
    UKNJCTHTCAKKNG-UHFFFAOYSA-N    		 c1c(c(nc(n1)C(F)(F)F)N)CO[P@](=O)(O)OP(=
    O)(O)O; Nc1nc(ncc1CO[P@@](O)(=O)O[P](O)(
    O)=O)C(F)(F)F; FC(F)(F)c1nc(N)c(cn1)COP(
    =O)(O)OP(=O)(O)O; Nc1nc(ncc1CO[P](O)(=O)
    O[P](O)(O)=O)C(F)(F)F; c1c(c(nc(n1)C(F)(
    F)F)N)COP(=O)(O)OP(=O)(O)O    		 4-AMINO-2-TRIFLUOROMETHYL-5-HYDROXYMETHYLPYRIMIDINE PYROPHOSPHATE
    20238
    FQQ
    CHEMBL4573390    		 4 C24 H25 Cl N6 O InChI=1S/C24H25ClN6O/c1-2
    4(18-3-2-4-19(25)13-18)7-
    11-30(12-8-24)10-6-17-14-
    29-31(15-17)22-21-20(5-9-
    26-22)23(32)28-16-27-21/h
    2-5,9,13-16H,6-8,10-12H2,
    1H3,(H,27,28,32);
    BPCMQRINPLMHHT-UHFFFAOYSA-N    		 CC1(CCN(CC1)CCc2cnn(c2)c3c4c(ccn3)C(=O)N
    C=N4)c5cccc(c5)Cl; CC1(CCN(CCc2cnn(c2)c3
    nccc4C(=O)NC=Nc34)CC1)c5cccc(Cl)c5    		 8-[4-[2-[4-(3-chlorophenyl)-4-methyl-piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one
    20239
    FQR
    CHEMBL4539528    		 1 C16 H17 Br Cl N3 O4 InChI=1S/C16H17BrClN3O4/c
    1-9(22)14(19)16(24)25-5-3
    -2-4-21-8-20-13-7-11(17)1
    2(18)6-10(13)15(21)23/h2-
    3,6-9,14,22H,4-5,19H2,1H3
    /b3-2+/t9-,14+/m1/s1;
    MQNOSNHJDCSEMB-XKKUMHBKSA-N    		 C[CH](O)[CH](N)C(=O)OCC=CCN1C=Nc2cc(Br)c
    (Cl)cc2C1=O; CC(C(C(=O)OCC=CCN1C=Nc2cc(c
    (cc2C1=O)Cl)Br)N)O; C[C@@H](O)[C@H](N)C(
    =O)OC/C=C/CN1C=Nc2cc(Br)c(Cl)cc2C1=O; C[
    C@H]([C@@H](C(=O)OC/C=C/CN1C=Nc2cc(c(cc2
    C1=O)Cl)Br)N)O    		 [(E)-4-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)but-2-enyl] (2S,3R)-2-azanyl-3-oxidanyl-butanoate
    20240
    FQT    		 2 C24 H43 N3 O15 P2 InChI=1S/C24H43N3O15P2/c1
    -3-5-7-9-19(28)37-13-16(4
    0-20(29)10-8-6-4-2)14-38-
    43(33,34)42-44(35,36)39-1
    5-17-21(30)22(31)23(41-17
    )27-12-11-18(25)26-24(27)
    32/h11,16-17,21-23,30-31H
    ,3-10,12-15,25H2,1-2H3,(H
    ,26,32)(H,33,34)(H,35,36)
    /t16-,17+,21+,22+,23+/m0/
    s1;
    ZCBKOYRYPJUKTK-PFMQYRJWSA-N    		 CCCCCC(=O)OC[C@@H](CO[P](O)(=O)O[P](O)(=
    O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2CC=C
    (N)NC2=O)OC(=O)CCCCC; CCCCCC(=O)OC[C@@H]
    (COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]
    ([C@@H](O1)N2CC=C(NC2=O)N)O)O)OC(=O)CCCC
    C; CCCCCC(=O)OC[CH](CO[P](O)(=O)O[P](O)(
    =O)OC[CH]1O[CH]([CH](O)[CH]1O)N2CC=C(N)N
    C2=O)OC(=O)CCCCC; CCCCCC(=O)OCC(COP(=O)(
    O)OP(=O)(O)OCC1C(C(C(O1)N2CC=C(NC2=O)N)O
    )O)OC(=O)CCCCC    		 [(2~{S})-3-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-1,4-dihydropyrimidin-3-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-2-hexanoyloxy-propyl] hexanoate
    20241
    FQU
    CHEMBL4470902    		 2 C17 H21 Br Cl N3 O4 InChI=1S/C17H21BrClN3O4/c
    1-10(23)15(20)17(25)26-6-
    4-2-3-5-22-9-21-14-8-12(1
    8)13(19)7-11(14)16(22)24/
    h7-10,15,23H,2-6,20H2,1H3
    /t10-,15+/m1/s1;
    STFFHZKFSKKMRC-BMIGLBTASA-N    		 CC(C(C(=O)OCCCCCN1C=Nc2cc(c(cc2C1=O)Cl)B
    r)N)O; C[C@H]([C@@H](C(=O)OCCCCCN1C=Nc2c
    c(c(cc2C1=O)Cl)Br)N)O; C[CH](O)[CH](N)C(
    =O)OCCCCCN1C=Nc2cc(Br)c(Cl)cc2C1=O; C[C@
    @H](O)[C@H](N)C(=O)OCCCCCN1C=Nc2cc(Br)c(
    Cl)cc2C1=O    		 5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl (2~{S},3~{R})-2-azanyl-3-oxidanyl-butanoate
    20242
    FQV
    CHEMBL4161324    		 2 C10 H11 N O2 S Se InChI=1S/C10H11NO2SSe/c1-
    2-3-8-15-10-6-4-9(5-7-10)
    14(11,12)13/h4-7H,8H2,1H3
    ,(H2,11,12,13);
    SYXVSYLKIVCGJW-UHFFFAOYSA-N    		 C(C)#CC[Se]c1ccc(cc1)S(N)(=O)=O; CC#CC[S
    e]c1ccc(cc1)[S](N)(=O)=O; CC#CC[Se]c1ccc
    (cc1)S(=O)(=O)N    		 4-[(but-2-yn-1-yl)selanyl]benzene-1-sulfonamide
    20243
    FQW
    CHEMBL3318816
    ZINC000222801484    		 4 C20 H18 N4 O InChI=1S/C20H18N4O/c21-20
    -23-18-16(19(25)24-20)15(
    12-11-13-7-3-1-4-8-13)17(
    22-18)14-9-5-2-6-10-14/h1
    -10H,11-12H2,(H4,21,22,23
    ,24,25);
    YBOPRCBPMVVKCJ-UHFFFAOYSA-N    		 O=C1c2c(c(nc2N=C(N)N1)c3ccccc3)CCc4ccccc
    4; NC1=Nc2[nH]c(c(CCc3ccccc3)c2C(=O)N1)c
    4ccccc4; c1ccc(cc1)CCc2c3c([nH]c2c4ccccc
    4)N=C(NC3=O)N    		 2-amino-5-phenethyl-6-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4(7H)-one
    20244
    FQX
    CHEMBL462490
    ZINC000000023110    		 4 C8 H4 N4 O4 InChI=1S/C8H4N4O4/c13-7-8
    (14)10-4-2-6-5(1-3(4)9-7)
    11-16-12(6)15/h1-2H,(H,9,
    13)(H,10,14);
    GBLOKWQVACPFGV-UHFFFAOYSA-N    		 c1c2c(cc3c1NC(=O)C(=O)N3)[n+](on2)[O-];
    [O-][n+]1onc2cc3NC(=O)C(=O)Nc3cc12; [O-]
    [n+]3onc2c3cc1NC(=O)C(=O)Nc1c2    		 [1,2,5]oxadiazolo[3,4-g]quinoxaline-6,7(5H,8H)-dione 1-oxide
    20245
    FQY
    CHEMBL4171524    		 2 C12 H17 N O2 S Se InChI=1S/C12H17NO2SSe/c13
    -16(14,15)10-6-8-12(9-7-1
    0)17-11-4-2-1-3-5-11/h6-9
    ,11H,1-5H2,(H2,13,14,15);
    IGTNDRSNATZZDO-UHFFFAOYSA-N    		 c1cc(ccc1S(=O)(=O)N)[Se]C2CCCCC2; N[S](=
    O)(=O)c1ccc([Se]C2CCCCC2)cc1; c1c(ccc(c1
    )[Se]C2CCCCC2)S(N)(=O)=O    		 4-(cyclohexylselanyl)benzene-1-sulfonamide
    20246
    FQZ    		 2 C8 H14 O4 InChI=1S/C8H14O4/c1-4-2-5
    (8(11)12)3-6(9)7(4)10/h4-
    7,9-10H,2-3H2,1H3,(H,11,1
    2)/t4-,5+,6+,7+/m0/s1;
    OBDLOCPYNMEWCH-BDVNFPICSA-N    		 C[CH]1C[CH](C[CH](O)[CH]1O)C(O)=O; CC1CC
    (CC(C1O)O)C(=O)O; C[C@H]1C[C@H](C[C@H]([
    C@@H]1O)O)C(=O)O; C[C@H]1C[C@H](C[C@@H](
    O)[C@@H]1O)C(O)=O    		 (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid
    20247
    FR0
    CHEMBL93647
    DB02616
    ZINC000015796001    		 1 C16 H15 N7 S2 InChI=1S/C16H15N7S2/c17-1
    4(18)23-16-22-12(8-24-16)
    13-6-5-9(25-13)7-19-15-20
    -10-3-1-2-4-11(10)21-15/h
    1-6,8H,7H2,(H2,19,20,21)(
    H4,17,18,22,23);
    CKJGKHXCUDWFDC-UHFFFAOYSA-N    		 NC(N)=Nc1scc(n1)c2sc(CNc3[nH]c4ccccc4n3)
    cc2; c1ccc2c(c1)[nH]c(n2)NCc3ccc(s3)c4cs
    c(n4)N=C(N)N; N(=C(/N)N)\c4nc(c1sc(cc1)C
    Nc2nc3ccccc3n2)cs4    		 N''-(4-(5-((1H-BENZIMIDAZOL-2-YLAMINO)METHYL)-2-THIENYL)-1,3-THIAZOL-2-YL)GUANIDINE;
    FR117016
    20248
    FR1
    DB03702
    ZINC000003951728    		 1 C26 H33 F3 N4 O7 InChI=1S/C26H33F3N4O7/c1-
    13(2)19(21(36)26(27,28)29
    )31-24(39)17-6-5-11-33(17
    )25(40)20(14(3)4)32-23(38
    )16-9-7-15(8-10-16)22(37)
    30-12-18(34)35/h7-10,13-1
    4,17,19-20H,5-6,11-12H2,1
    -4H3,(H,30,37)(H,31,39)(H
    ,32,38)(H,34,35)/t17-,19-
    ,20-/m0/s1;
    MRTSIBBMOWLRPY-IHPCNDPISA-N    		 CC(C)[CH](NC(=O)c1ccc(cc1)C(=O)NCC(O)=O)
    C(=O)N2CCC[CH]2C(=O)N[CH](C(C)C)C(=O)C(F
    )(F)F; CC(C)[C@@H](C(=O)C(F)(F)F)NC(=O)[
    C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)c2ccc(
    cc2)C(=O)NCC(=O)O; O=C(NC(C(=O)C(F)(F)F)
    C(C)C)C2N(C(=O)C(NC(=O)c1ccc(C(=O)NCC(=O
    )O)cc1)C(C)C)CCC2; CC(C)[C@H](NC(=O)c1cc
    c(cc1)C(=O)NCC(O)=O)C(=O)N2CCC[C@H]2C(=O
    )N[C@@H](C(C)C)C(=O)C(F)(F)F; CC(C)C(C(=
    O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C(C(C)C)NC(
    =O)c2ccc(cc2)C(=O)NCC(=O)O    		 2-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID
    20249
    FR2
    CHEMBL329433
    DB02096    		 1 C14 H17 N3 O2 InChI=1S/C14H17N3O2/c15-1
    4(19)13-8-17(10-16-13)12(
    9-18)7-6-11-4-2-1-3-5-11/
    h1-5,8,10,12,18H,6-7,9H2,
    (H2,15,19)/t12-/m1/s1;
    ZUYUIKKHHBEVHL-GFCCVEGCSA-N    		 c1ccc(cc1)CC[C@H](CO)n2cc(nc2)C(=O)N; NC
    (=O)c1cn(cn1)[CH](CO)CCc2ccccc2; c1ccc(c
    c1)CCC(CO)n2cc(nc2)C(=O)N; O=C(c1ncn(c1)
    C(CO)CCc2ccccc2)N; NC(=O)c1cn(cn1)[C@@H]
    (CO)CCc2ccccc2    		 1-((1R)-1-(HYDROXYMETHYL)-3-PHENYLPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR221647
    20250
    FR3
    DB03572
    ZINC000005974960    		 1 C18 H19 N3 O2 InChI=1S/C18H19N3O2/c19-1
    8(23)17-10-21(12-20-17)15
    (11-22)9-8-14-6-3-5-13-4-
    1-2-7-16(13)14/h1-7,10,12
    ,15,22H,8-9,11H2,(H2,19,2
    3)/t15-/m1/s1;
    URGFTPMACWKJKU-OAHLLOKOSA-N    		 NC(=O)c1cn(cn1)[C@@H](CO)CCc2cccc3ccccc2
    3; NC(=O)c1cn(cn1)[CH](CO)CCc2cccc3ccccc
    23; c1ccc2c(c1)cccc2CC[C@H](CO)n3cc(nc3)
    C(=O)N; c1ccc2c(c1)cccc2CCC(CO)n3cc(nc3)
    C(=O)N; O=C(c1ncn(c1)C(CO)CCc3c2ccccc2cc
    c3)N    		 1-((1R)-1-(HYDROXYMETHYL)-3-(1-NAPHTHYL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR230513
    20251
    FR4
    CHEMBL338076
    DB07783
    ZINC000012153009    		 1 C25 H27 N5 O3 InChI=1S/C25H27N5O3/c26-2
    5(33)22-15-30(17-27-22)21
    (16-31)11-13-29-12-10-19-
    7-8-20(14-23(19)29)28-24(
    32)9-6-18-4-2-1-3-5-18/h1
    -5,7-8,10,12,14-15,17,21,
    31H,6,9,11,13,16H2,(H2,26
    ,33)(H,28,32)/t21-/m1/s1;
    GUYYFMCFEPDDFL-OAQYLSRUSA-N    		 c1ccc(cc1)CCC(=O)Nc2ccc3ccn(c3c2)CCC(CO)
    n4cc(nc4)C(=O)N; NC(=O)c1cn(cn1)[CH](CO)
    CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc23; c1ccc
    (cc1)CCC(=O)Nc2ccc3ccn(c3c2)CC[C@H](CO)n
    4cc(nc4)C(=O)N; NC(=O)c1cn(cn1)[C@@H](CO
    )CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc23; O=C(
    N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)C
    Cc4ccccc4    		 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(3-PHENYLPROPYL)AMINO]-1H-INDOL-1-YL}-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR233624
    20252
    FR5
    CHEMBL93280
    ZINC000002047652    		 1 C27 H29 N7 O3 InChI=1S/C27H29N7O3/c1-32
    -23-5-3-2-4-21(23)31-25(3
    2)8-9-26(36)30-19-7-6-18-
    10-12-33(24(18)14-19)13-1
    1-20(16-35)34-15-22(27(28
    )37)29-17-34/h2-7,10,12,1
    4-15,17,20,35H,8-9,11,13,
    16H2,1H3,(H2,28,37)(H,30,
    36)/t20-/m1/s1;
    MBHAURHGCAJBCN-HXUWFJFHSA-N    		 Cn1c(CCC(=O)Nc2ccc3ccn(CC[CH](CO)n4cnc(c
    4)C(N)=O)c3c2)nc5ccccc15; Cn1c2ccccc2nc1
    CCC(=O)Nc3ccc4ccn(c4c3)CCC(CO)n5cc(nc5)C
    (=O)N; Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO
    )n4cnc(c4)C(N)=O)c3c2)nc5ccccc15; Cn1c2c
    cccc2nc1CCC(=O)Nc3ccc4ccn(c4c3)CC[C@H](C
    O)n5cc(nc5)C(=O)N; O=C(N)c1ncn(c1)C(CO)C
    Cn3c2cc(ccc2cc3)NC(=O)CCc4nc5ccccc5n4C    		 1-((1R)-1-(HYDROXYMETHYL)-3-(6-((3-(1-METHYL-1H-BENZIMIDAZOL-2-YL)PROPANOYL)AMINO)-1H-INDOL-1-YL)PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR235999
    20253
    FR6
    CHEMBL93560
    DB03220
    ZINC000000024494    		 1 C19 H21 N3 O2 InChI=1S/C19H21N3O2/c1-13
    (23)18(22-11-17(19(20)24)
    21-12-22)10-9-15-7-4-6-14
    -5-2-3-8-16(14)15/h2-8,11
    -13,18,23H,9-10H2,1H3,(H2
    ,20,24)/t13-,18+/m0/s1;
    OODDZQQDDOVCFD-SCLBCKFNSA-N    		 C[CH](O)[CH](CCc1cccc2ccccc12)n3cnc(c3)C
    (N)=O; CC(C(CCc1cccc2c1cccc2)n3cc(nc3)C(
    =O)N)O; C[C@@H]([C@@H](CCc1cccc2c1cccc2)
    n3cc(nc3)C(=O)N)O; C[C@H](O)[C@@H](CCc1c
    ccc2ccccc12)n3cnc(c3)C(N)=O; O=C(c1ncn(c
    1)C(C(O)C)CCc3c2ccccc2ccc3)N    		 1-{(1R,2S)-2-HYDROXY-1-[2-(1-NAPHTHYL)ETHYL]PROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR233623
    20254
    FR7
    CHEMBL328139
    DB03370
    ZINC000000025432    		 1 C15 H17 Cl2 N3 O2 InChI=1S/C15H17Cl2N3O2/c1
    -9(21)13(20-7-12(15(18)22
    )19-8-20)6-5-10-3-2-4-11(
    16)14(10)17/h2-4,7-9,13,2
    1H,5-6H2,1H3,(H2,18,22)/t
    9-,13+/m0/s1;
    HCJYSIGJDKNVRU-TVQRCGJNSA-N    		 CC(C(CCc1cccc(c1Cl)Cl)n2cc(nc2)C(=O)N)O;
    C[CH](O)[CH](CCc1cccc(Cl)c1Cl)n2cnc(c2)
    C(N)=O; Clc1cccc(c1Cl)CCC(n2cc(nc2)C(=O)
    N)C(O)C; C[C@@H]([C@@H](CCc1cccc(c1Cl)Cl
    )n2cc(nc2)C(=O)N)O; C[C@H](O)[C@@H](CCc1
    cccc(Cl)c1Cl)n2cnc(c2)C(N)=O    		 1-{(1R,2S)-1-[2-(2,3,-DICHLOROPHENYL)ETHYL]-2-HYDROXYPROPYL}-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR239087
    20255
    FR8
    CHEMBL121939
    ZINC000013580949    		 1 C27 H31 N5 O3 InChI=1S/C27H31N5O3/c28-2
    7(35)24-17-32(19-29-24)23
    (18-33)13-15-31-14-12-21-
    10-11-22(16-25(21)31)30-2
    6(34)9-5-4-8-20-6-2-1-3-7
    -20/h1-3,6-7,10-12,14,16-
    17,19,23,33H,4-5,8-9,13,1
    5,18H2,(H2,28,35)(H,30,34
    )/t23-/m1/s1;
    SLLHIZOLSGWMLR-HSZRJFAPSA-N    		 NC(=O)c1cn(cn1)[CH](CO)CCn2ccc3ccc(NC(=O
    )CCCCc4ccccc4)cc23; NC(=O)c1cn(cn1)[C@@H
    ](CO)CCn2ccc3ccc(NC(=O)CCCCc4ccccc4)cc23
    ; c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CC[
    C@H](CO)n4cc(nc4)C(=O)N; O=C(N)c1ncn(c1)
    C(CO)CCn3c2cc(ccc2cc3)NC(=O)CCCCc4ccccc4
    ; c1ccc(cc1)CCCCC(=O)Nc2ccc3ccn(c3c2)CCC
    (CO)n4cc(nc4)C(=O)N    		 1-((1R)-1-(HYDROXYMETHYL)-3-{6-[(5-PHENYLPENTANOYL)AMINO]-1H-INDOL-1-YL}PROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR235380
    20256
    FR9
    CHEMBL125386
    DB02830
    ZINC000012502694    		 1 C24 H26 N6 O3 InChI=1S/C24H26N6O3/c25-2
    3(32)21-14-30(16-27-21)20
    (15-31)9-11-29-10-8-18-6-
    7-19(12-22(18)29)28-24(33
    )26-13-17-4-2-1-3-5-17/h1
    -8,10,12,14,16,20,31H,9,1
    1,13,15H2,(H2,25,32)(H2,2
    6,28,33)/t20-/m1/s1;
    KCCUBLLGAMGDJL-HXUWFJFHSA-N    		 c1ccc(cc1)CNC(=O)Nc2ccc3ccn(c3c2)CCC(CO)
    n4cc(nc4)C(=O)N; NC(=O)c1cn(cn1)[C@@H](C
    O)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc23; O=C
    (N)c1ncn(c1)C(CO)CCn3c2cc(ccc2cc3)NC(=O)
    NCc4ccccc4; c1ccc(cc1)CNC(=O)Nc2ccc3ccn(
    c3c2)CC[C@H](CO)n4cc(nc4)C(=O)N; NC(=O)c
    1cn(cn1)[CH](CO)CCn2ccc3ccc(NC(=O)NCc4cc
    ccc4)cc23    		 1-[(1R)-3-(6-{[(BENZYLAMINO)CARBONYL]AMINO}-1H-INDOL-1-YL)-1-(HYDROXYMETHYL)PROPYL]-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR236913
    20257
    FRA
    DB07784    		 2 C21 H23 N3 O7 InChI=1S/C21H23N3O7/c1-11
    (25)22-13-2-4-14(5-3-13)2
    4-18(28)16-12-6-8-21(9-7-
    12,17(16)19(24)29)23-20(3
    0)31-10-15(26)27/h2-5,12,
    16-17H,6-10H2,1H3,(H,22,2
    5)(H,23,30)(H,26,27)/t12-
    ,16-,17+,21-/m1/s1;
    WBCOLMYVEBTZOA-OKRSVSQCSA-N    		 CC(=O)Nc1ccc(cc1)N2C(=O)[CH]3C4CCC(CC4)(
    NC(=O)OCC(O)=O)[CH]3C2=O; O=C(O)COC(=O)N
    C12CCC(CC1)C3C(=O)N(C(=O)C23)c4ccc(NC(=O
    )C)cc4; CC(=O)Nc1ccc(cc1)N2C(=O)C3C4CCC(
    C3C2=O)(CC4)NC(=O)OCC(=O)O; CC(=O)Nc1ccc
    (cc1)N2C(=O)[C@@H]3C4CCC(CC4)(NC(=O)OCC(
    O)=O)[C@@H]3C2=O; CC(=O)Nc1ccc(cc1)N2C(=
    O)[C@@H]3C4CCC([C@@H]3C2=O)(CC4)NC(=O)OC
    C(=O)O    		 [4-(4-ACETYLAMINO-PHENYL)-3,5-DIOXO-4-AZA-TRICYCLO[5.2.2.0 2,6]UNDEC-1-YLCARBAMOYLOXY]-ACETIC ACID
    20258
    FRB
    CHEMBL106187
    DB03957
    ZINC000014880973    		 2 C25 H33 Cl2 N7 O2 InChI=1S/C25H33Cl2N7O2/c2
    6-18-8-4-7-17(22(18)27)20
    -13-19(32-33-20)15-9-11-3
    4(12-10-15)21(35)14-30-24
    (36)23(31-25(28)29)16-5-2
    -1-3-6-16/h4,7-8,13,15-16
    ,23H,1-3,5-6,9-12,14H2,(H
    ,30,36)(H,32,33)(H4,28,29
    ,31)/t23-/m1/s1;
    SSSXBBASYYVGCI-HSZRJFAPSA-N    		 c1cc(c(c(c1)Cl)Cl)c2cc([nH]n2)C3CCN(CC3)
    C(=O)CNC(=O)C(C4CCCCC4)NC(=N)N; NC(=N)N[
    CH](C1CCCCC1)C(=O)NCC(=O)N2CCC(CC2)c3[nH
    ]nc(c3)c4cccc(Cl)c4Cl; c1cc(c(c(c1)Cl)Cl
    )c2cc([nH]n2)C3CCN(CC3)C(=O)CNC(=O)[C@@H
    ](C4CCCCC4)NC(=N)N; NC(=N)N[C@H](C1CCCCC
    1)C(=O)NCC(=O)N2CCC(CC2)c3[nH]nc(c3)c4cc
    cc(Cl)c4Cl; O=C(NCC(=O)N3CCC(c1cc(nn1)c2
    cccc(Cl)c2Cl)CC3)C(NC(=[N@H])N)C4CCCCC4    		 2-CYCLOHEXYL-N-(2-{4-[5-(2,3-DICHLORO-PHENYL)-2H-PYRAZOL-3-YL]-PIPERIDIN-1-YL}-2-OXO-ETHYL)-2-GUANIDINO-ACETAMIDE;
    SP2456
    20259
    FRC
    CHEMBL92404
    DB07785
    ZINC000005890115    		 1 C19 H21 N3 O3 InChI=1S/C19H21N3O3/c1-13
    (23)18(22-11-17(19(20)24)
    21-12-22)8-9-25-16-7-6-14
    -4-2-3-5-15(14)10-16/h2-7
    ,10-13,18,23H,8-9H2,1H3,(
    H2,20,24)/t13-,18+/m0/s1;
    UYAJDVNLQJVRHD-SCLBCKFNSA-N    		 CC(C(CCOc1ccc2ccccc2c1)n3cc(nc3)C(=O)N)O
    ; C[C@@H]([C@@H](CCOc1ccc2ccccc2c1)n3cc(
    nc3)C(=O)N)O; O=C(c1ncn(c1)C(C(O)C)CCOc3
    cc2ccccc2cc3)N; C[CH](O)[CH](CCOc1ccc2cc
    ccc2c1)n3cnc(c3)C(N)=O; C[C@H](O)[C@@H](
    CCOc1ccc2ccccc2c1)n3cnc(c3)C(N)=O    		 1-{(1R,2S)-2-HYDROXY-1-[2-(2-NAPHTHYLOXY)ETHYL]PROPYL}-1H-IMIDAZONE-4-CARBOXAMIDE;
    FR247581
    20260
    FRD
    CHEMBL19393
    ZINC000006036847    		 0 C9 H13 N InChI=1S/C9H13N/c1-8(10)7
    -9-5-3-2-4-6-9/h2-6,8H,7,
    10H2,1H3/t8-/m1/s1;
    KWTSXDURSIMDCE-MRVPVSSYSA-N    		 CC(Cc1ccccc1)N; NC(Cc1ccccc1)C; C[C@H](C
    c1ccccc1)N; C[CH](N)Cc1ccccc1; C[C@@H](N
    )Cc1ccccc1    		 1-PHENYL-2-AMINOPROPANE
    20261
    FRE
    DB03923
    ZINC000169621243    		 1 C31 H44 N7 O20 P3 S InChI=1S/C31H44N7O20P3S/c
    1-31(2,26(44)29(45)34-7-6
    -20(40)33-8-9-62-21(41)5-
    4-16-10-17(39)23(42)18(11
    -16)53-3)13-55-61(51,52)5
    8-60(49,50)54-12-19-25(57
    -59(46,47)48)24(43)30(56-
    19)38-15-37-22-27(32)35-1
    4-36-28(22)38/h4-5,10-11,
    14-15,19,24-26,30,39,42-4
    4H,6-9,12-13H2,1-3H3,(H,3
    3,40)(H,34,45)(H,49,50)(H
    ,51,52)(H2,32,35,36)(H2,4
    6,47,48)/b5-4+/t19-,24-,2
    5-,26+,30-/m1/s1;
    ILSPFIPSQSFPCN-VYBUCKLUSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCSC(=O)C=Cc4cc(c(c(c4)OC)O)O)O; O=C(S
    CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(
    =O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=
    O)(O)O)\C=C\c4cc(O)c(O)c(OC)c4; CC(C)(CO
    [P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(
    O)O)C(C(=O)NCCC(=O)NCCSC(=O)\C=C\c4cc(c(
    c(c4)OC)O)O)O; COc1cc(C=CC(=O)SCCNC(=O)C
    CNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)
    (=O)OC[CH]2O[CH]([CH](O)[CH]2O[P](O)(O)=
    O)n3cnc4c(N)ncnc34)cc(O)c1O; COc1cc(\C=C
    \C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO
    [P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C
    @H](O)[C@@H]2O[P](O)(O)=O)n3cnc4c(N)ncnc
    34)cc(O)c1O    		 FERULOYL COENZYME A
    20262
    FRF    		 0 C18 H22 N2 O2 InChI=1S/C18H22N2O2/c19-1
    6(11-14-7-3-1-4-8-14)13-2
    0-17(18(21)22)12-15-9-5-2
    -6-10-15/h1-10,16-17,20H,
    11-13,19H2,(H,21,22)/t16-
    ,17-/m0/s1;
    DOVYKTPJUZCUGU-IRXDYDNUSA-N    		 c1ccc(cc1)CC(CNC(Cc2ccccc2)C(=O)O)N; c1c
    cc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O
    )N; N[CH](CN[CH](Cc1ccccc1)C(O)=O)Cc2ccc
    cc2; O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2;
    N[C@H](CN[C@@H](Cc1ccccc1)C(O)=O)Cc2cccc
    c2    		 PHE-REDUCED-PHE
    20263
    FRG
    CHEMBL419362
    DB03453
    ZINC000013579788    		 2 C26 H30 N4 O3 InChI=1S/C26H30N4O3/c1-33
    -25(32)23(29-24(31)17-22-
    8-5-15-30(18-22)26(27)28)
    16-21-13-11-20(12-14-21)1
    0-9-19-6-3-2-4-7-19/h2-4,
    6-7,11-14,22-23H,5,8,15-1
    8H2,1H3,(H3,27,28)(H,29,3
    1)/t22-,23+/m1/s1;
    MRNGXYMKYHNMLV-PKTZIBPZSA-N    		 COC(=O)[C@H](Cc1ccc(cc1)C#Cc2ccccc2)NC(=
    O)C[C@H]3CCCN(C3)C(N)=N; [H]N=C(N)N1CCCC
    (C1)CC(=O)NC(Cc2ccc(cc2)C#Cc3ccccc3)C(=O
    )OC; O=C(OC)C(NC(=O)CC1CCCN(C(=[N@H])N)C
    1)Cc3ccc(C#Cc2ccccc2)cc3; [H]/N=C(/N)\N1
    CCC[C@@H](C1)CC(=O)N[C@@H](Cc2ccc(cc2)C#
    Cc3ccccc3)C(=O)OC; COC(=O)[CH](Cc1ccc(cc
    1)C#Cc2ccccc2)NC(=O)C[CH]3CCCN(C3)C(N)=N    		 2-[3-METHYL-4-(N-METHYL-GUANIDINO)-BUTYRYLAMINO]-3-(4-PHENYLETHYNYL-PHENYL)-PROPIONIC ACID METHYL ESTER;
    (R)-N-[2-[1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]-1-OXOETHYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER
    20264
    FRH
    CHEMBL429852
    DB02581
    ZINC000003990365    		 4 C30 H37 Cl2 N7 O6 InChI=1S/C30H37Cl2N7O6/c1
    -16(2)12-21(36-30(33)34)2
    8(41)35-14-25(40)39-10-8-
    17(9-11-39)22-13-20(37-38
    (22)3)19-5-7-23(27(32)26(
    19)31)44-15-18-4-6-24(45-
    18)29(42)43/h4-7,13,16-17
    ,21H,8-12,14-15H2,1-3H3,(
    H,35,41)(H,42,43)(H4,33,3
    4,36)/t21-/m1/s1;
    VNZHOIDQBPFEJU-OAQYLSRUSA-N    		 [H]/N=C(\N)/N[C@H](CC(C)C)C(=O)NCC(=O)N1
    CCC(CC1)c2cc(nn2C)c3ccc(c(c3Cl)Cl)OCc4cc
    c(o4)C(=O)O; CC(C)C[CH](NC(N)=N)C(=O)NCC
    (=O)N1CCC(CC1)c2cc(nn2C)c3ccc(OCc4oc(cc4
    )C(O)=O)c(Cl)c3Cl; O=C(NCC(=O)N4CCC(c1cc
    (nn1C)c3ccc(OCc2oc(cc2)C(=O)O)c(Cl)c3Cl)
    CC4)C(NC(=[N@H])N)CC(C)C; CC(C)C[C@@H](N
    C(N)=N)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c
    3ccc(OCc4oc(cc4)C(O)=O)c(Cl)c3Cl; [H]N=C
    (N)NC(CC(C)C)C(=O)NCC(=O)N1CCC(CC1)c2cc(
    nn2C)c3ccc(c(c3Cl)Cl)OCc4ccc(o4)C(=O)O    		 5-[2,3-DICHLORO-4-(5-{1-[2-(2-GUANIDINO-4-METHYL-PENTANOYLAMINO)-ACETYL]-PIPERIDIN-4-YL}-1-METHYL-1H-PYRAZOL-3-YL)-PHENOXYMETHYL]-FURAN-2-CARBOXYLIC ACID
    20265
    FRI
    DB02555
    ZINC000053683837    		 5 C33 H42 Cl2 N8 O4 InChI=1S/C33H42Cl2N8O4/c1
    -19(2)15-26(40-33(36)37)3
    2(46)38-17-29(45)43-13-11
    -22(12-14-43)27-16-25(41-
    42(27)4)24-9-10-28(31(35)
    30(24)34)47-18-21-5-7-23(
    8-6-21)39-20(3)44/h5-10,1
    6,19,22,26H,11-15,17-18H2
    ,1-4H3,(H,38,46)(H,39,44)
    (H4,36,37,40)/t26-/m1/s1;
    VCXMTWSYQSVWRK-AREMUKBSSA-N    		 CC(C)C[C@H](C(=O)NCC(=O)N1CCC(CC1)c2cc(n
    n2C)c3ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)
    NC(=N)N; O=C(Nc1ccc(cc1)COc4ccc(c2nn(c(c
    2)C3CCN(C(=O)CNC(=O)C(NC(=[N@H])N)CC(C)C
    )CC3)C)c(Cl)c4Cl)C; CC(C)C[CH](NC(N)=N)C
    (=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3ccc(OCc
    4ccc(NC(C)=O)cc4)c(Cl)c3Cl; CC(C)C[C@@H]
    (NC(N)=N)C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C
    )c3ccc(OCc4ccc(NC(C)=O)cc4)c(Cl)c3Cl; CC
    (C)CC(C(=O)NCC(=O)N1CCC(CC1)c2cc(nn2C)c3
    ccc(c(c3Cl)Cl)OCc4ccc(cc4)NC(=O)C)NC(=N)
    N    		 2-GUANIDINO-4-METHYL-PENTANOIC ACID [2-(4-{5-[4-(4-ACETYLAMINO-BENZYLOXY)-2,3-DICHLORO-PHENYL]-2-METHYL-2H-PYRAZOL-3-YL}-PIPERIDIN-1-YL)-2-OXO-ETHYL]-AMIDE;
    SP4160
    20266
    FRJ
    CHEMBL1232829
    DB03311
    ZINC000095544211    		 3 C26 H19 Br2 N3 O7 S3 InChI=1S/C26H19Br2N3O7S3/
    c1-2-21-23(24(32)14-11-19
    (27)25(33)20(28)12-14)18-
    8-7-17(13-22(18)38-21)41(
    36,37)30-15-3-5-16(6-4-15
    )40(34,35)31-26-29-9-10-3
    9-26/h3-13,30,33H,2H2,1H3
    ,(H,29,31);
    SXKBTDJJEQQEGE-UHFFFAOYSA-N    		 CCc1c(c2ccc(cc2o1)S(=O)(=O)Nc3ccc(cc3)S(
    =O)(=O)Nc4nccs4)C(=O)c5cc(c(c(c5)Br)O)Br
    ; O=S(=O)(Nc1nccs1)c5ccc(NS(=O)(=O)c4ccc
    3c(C(=O)c2cc(Br)c(O)c(Br)c2)c(oc3c4)CC)c
    c5; CCc1oc2cc(ccc2c1C(=O)c3cc(Br)c(O)c(B
    r)c3)[S](=O)(=O)Nc4ccc(cc4)[S](=O)(=O)Nc
    5sccn5    		 3-(3,5-DIBROMO-4-HYDROXY-BENZOYL)-2-ETHYL-BENZOFURAN-6-SULFONIC ACID [4-(THIAZOL-2-YLSULFAMOYL)-PHENYL]-AMIDE
    20267
    FRK
    ZINC000016051635    		 1 C21 H22 N2 O3 S InChI=1S/C21H22N2O3S/c1-2
    -3-4-5-18(26)22-21-23-19(
    14-6-10-16(24)11-7-14)20(
    27-21)15-8-12-17(25)13-9-
    15/h6-13,24-25H,2-5H2,1H3
    ,(H,22,23,26);
    RPLGSGRXKXSQAO-UHFFFAOYSA-N    		 CCCCCC(=O)Nc1nc(c(s1)c2ccc(cc2)O)c3ccc(c
    c3)O; CCCCCC(=O)Nc1sc(c2ccc(O)cc2)c(n1)c
    3ccc(O)cc3; O=C(Nc2nc(c1ccc(O)cc1)c(s2)c
    3ccc(O)cc3)CCCCC    		 N-[4,5-BIS(4-HYDROXYPHENYL)-1,3-THIAZOL-2-YL]HEXANAMIDE;
    FR104783
    20268
    FRL
    DB07786
    ZINC000033821304    		 1 C22 H21 Cl N4 O3 InChI=1S/C22H21ClN4O3/c1-
    13(28)19(27-11-18(21(24)2
    9)25-12-27)10-7-14-3-2-4-
    17-20(14)30-22(26-17)15-5
    -8-16(23)9-6-15/h2-6,8-9,
    11-13,19,28H,7,10H2,1H3,(
    H2,24,29)/t13-,19-/m0/s1;
    SMFRBBHLVBWHGB-DJJJIMSYSA-N    		 C[C@@H](C(CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)
    n4cc(nc4)C(=O)N)O; C[C@H](O)[C@H](CCc1cc
    cc2nc(oc12)c3ccc(Cl)cc3)n4cnc(c4)C(N)=O;
    C[CH](O)[CH](CCc1cccc2nc(oc12)c3ccc(Cl)
    cc3)n4cnc(c4)C(N)=O; O=C(N)c1ncn(c1)C(C(
    O)C)CCc2cccc3nc(oc23)c4ccc(Cl)cc4; CC(C(
    CCc1cccc2c1oc(n2)c3ccc(cc3)Cl)n4cc(nc4)C
    (=O)N)O    		 1-((1R,2S)-1-{2-[2-(4-CHLOROPHENYL)-1,3-BENZOXAZOL-7-YL]ETHYL}-2-HYDROXYPROPYL)-1H-IMIDAZOLE-4-CARBOXAMIDE;
    FR266364
    20269
    FRM
    CHEMBL401843
    DB03072
    ZINC000005892749    		 2 C23 H24 F N3 O InChI=1S/C23H24FN3O/c1-16
    -4-2-5-20-22(16)25-21(26-
    23(20)28)6-3-13-27-14-11-
    18(12-15-27)17-7-9-19(24)
    10-8-17/h2,4-5,7-11H,3,6,
    12-15H2,1H3,(H,25,26,28);
    LOFDUAJQRUYHBR-UHFFFAOYSA-N    		 Cc1cccc2c1N=C(NC2=O)CCCN3CCC(=CC3)c4ccc(
    cc4)F; Cc1cccc2c1N=C(NC2=O)CCC[N@@]3CCC(
    =CC3)c4ccc(cc4)F; Cc1cccc2C(=O)NC(=Nc12)
    CCCN3CCC(=CC3)c4ccc(F)cc4; Fc4ccc(C3=CCN
    (CCCC1=Nc2c(C(=O)N1)cccc2C)CC3)cc4    		 2-{3-[4-(4-FLUOROPHENYL)-3,6-DIHYDRO-1(2H)-PYRIDINYL]PROPYL}-8-METHYL-4(3H)-QUINAZOLINONE
    20270
    FRO    		 0 C12 H14 N O5 S InChI=1S/C12H15NO5S/c1-5(
    14)7-10(15)13-8(12(16)17)
    9(19-11(7)13)6-3-2-4-18-6
    /h5-7,11,14H,2-4H2,1H3,(H
    ,16,17)/p-1/t5-,6+,7-,11+
    /m0/s1;
    HGGAKXAHAYOLDJ-QMWPFBOUSA-M    		 C[C@H](O)[C@@H]1[C@H]2SC(=C(N2C1=O)C([O-
    ])=O)[C@H]3CCCO3; O=C2N1C(=C(SC1C2C(O)C)
    C3OCCC3)C([O-])=O; C[C@@H]([C@@H]1[C@@H]
    2N(C1=O)C(=C(S2)[C@H]3CCCO3)C(=O)[O-])O;
    CC(C1C2N(C1=O)C(=C(S2)C3CCCO3)C(=O)[O-]
    )O; C[CH](O)[CH]1[CH]2SC(=C(N2C1=O)C([O-
    ])=O)[CH]3CCCO3    		 (5R,6S)-6-[(1R)-1-HYDROXYETHYL]-7-OXO-3-[(2R)-TETRAHYDROFURAN-2-YL]-4-THIA-1-AZABICYCLO[3.2.0]HEPT-2-ENE-2-CARBOXYLATE;
    FAROM
    20271
    FRP
    CHEMBL200077
    ZINC000010339558    		 3 C33 H41 F N4 O3 InChI=1S/C33H41FN4O3/c1-4
    -18-38(19-5-2)33(41)26-13
    -9-12-25(22-26)32(40)37-3
    0(21-24-10-7-6-8-11-24)29
    (35)20-23(3)31(39)36-28-1
    6-14-27(34)15-17-28/h6-17
    ,22-23,29-30H,4-5,18-21,3
    5H2,1-3H3,(H,36,39)(H,37,
    40)/t23-,29+,30+/m1/s1;
    PZHFCAIXAVDQAK-STQWGSIPSA-N    		 CCCN(CCC)C(=O)c1cccc(c1)C(=O)NC(Cc2ccccc
    2)C(CC(C)C(=O)Nc3ccc(cc3)F)N; CCCN(CCC)C
    (=O)c1cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@
    @H](N)C[C@@H](C)C(=O)Nc3ccc(F)cc3; CCCN(
    CCC)C(=O)c1cccc(c1)C(=O)N[CH](Cc2ccccc2)
    [CH](N)C[CH](C)C(=O)Nc3ccc(F)cc3; Fc3ccc
    (NC(=O)C(C)CC(N)C(NC(=O)c1cccc(C(=O)N(CC
    C)CCC)c1)Cc2ccccc2)cc3; CCCN(CCC)C(=O)c1
    cccc(c1)C(=O)N[C@@H](Cc2ccccc2)[C@H](C[C
    @@H](C)C(=O)Nc3ccc(cc3)F)N    		 N1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-5-METHYL-6-OXO-1-PHENYLHEXAN-2-YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
    20272
    FRQ
    CHEMBL361054
    DB07787
    ZINC000006579056    		 2 C23 H24 F N3 O2 InChI=1S/C23H24FN3O2/c24-
    19-9-6-10-20-21(19)22(28)
    25-23(29)27(20)14-5-4-13-
    26-15-11-18(12-16-26)17-7
    -2-1-3-8-17/h1-3,6-11H,4-
    5,12-16H2,(H,25,28,29);
    PNPFDRCIGCUCMN-UHFFFAOYSA-N    		 Fc1cccc2c1C(=O)NC(=O)N2CCCCN4CC=C(c3cccc
    c3)CC4; c1ccc(cc1)C2=CCN(CC2)CCCCN3c4ccc
    c(c4C(=O)NC3=O)F; c1ccc(cc1)C2=CC[N@@](C
    C2)CCCCN3c4cccc(c4C(=O)NC3=O)F; Fc1cccc2
    N(CCCCN3CCC(=CC3)c4ccccc4)C(=O)NC(=O)c12    		 5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-DIONE
    20273
    FRR
    CHEMBL1079087
    DB07788
    ZINC000102051776    		 0 C19 H22 O7 InChI=1S/C19H22O7/c1-11-5
    -3-7-14(20)18(23)15(21)8-
    4-6-12-9-13(25-2)10-16(22
    )17(12)19(24)26-11/h3-4,6
    -7,9-11,15,18,21-23H,5,8H
    2,1-2H3/b6-4+,7-3-/t11-,1
    5+,18-/m1/s1;
    NEQZWEXWOFPKOT-QHSZRYGNSA-N    		 O=C1OC(CC=CC(=O)C(O)C(O)CC=Cc2cc(OC)cc(O
    )c12)C; COc1cc(O)c2C(=O)O[C@H](C)C\C=C/C
    (=O)[C@@H](O)[C@@H](O)C/C=C/c2c1; CC1CC=
    CC(=O)C(C(CC=Cc2cc(cc(c2C(=O)O1)O)OC)O)O
    ; COc1cc(O)c2C(=O)O[CH](C)CC=CC(=O)[CH](
    O)[CH](O)CC=Cc2c1; C[C@@H]1CC=CC(=O)[C@H
    ]([C@H](C\C=C\c2cc(cc(c2C(=O)O1)O)OC)O)O    		 (3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-DIONE
    20274
    FRS
    CHEMBL1092830
    DB07789
    ZINC000034285233    		 1 C18 H17 F3 N10 O2 S InChI=1S/C18H17F3N10O2S/c
    1-9-4-11(14(33-9)18(19,20
    )21)28-16(32)30-17-23-6-1
    0(34-17)2-3-22-12-5-13(25
    -7-24-12)29-15-26-8-27-31
    -15/h4-8H,2-3H2,1H3,(H2,2
    3,28,30,32)(H3,22,24,25,2
    6,27,29,31);
    KNTGXMNWVXZIMW-UHFFFAOYSA-N    		 Cc1cc(c(o1)C(F)(F)F)NC(=O)N=C2NC=C(S2)CC
    Nc3cc(ncn3)Nc4nc[nH]n4; Cc1cc(c(o1)C(F)(
    F)F)NC(=O)/N=C\2/NC=C(S2)CCNc3cc(ncn3)Nc
    4nc[nH]n4; O=C(\N=C1/SC(=CN1)CCNc3ncnc(N
    c2ncnn2)c3)Nc4cc(oc4C(F)(F)F)C; Cc1oc(c(
    NC(=O)N=C2NC=C(CCNc3cc(Nc4n[nH]cn4)ncn3)
    S2)c1)C(F)(F)F    		 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea
    20275
    FRT
    CHEMBL478409
    DB07790
    ZINC000038995985    		 1 C20 H26 N6 O3 S InChI=1S/C20H26N6O3S/c1-1
    4(2)26-15(3)22-13-19(26)1
    8-9-10-21-20(25-18)24-16-
    5-7-17(8-6-16)30(27,28)23
    -11-12-29-4/h5-10,13-14,2
    3H,11-12H2,1-4H3,(H,21,24
    ,25);
    LDXLQEXLXZCYSR-UHFFFAOYSA-N    		 Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O
    )(=O)NCCOC; COCCN[S](=O)(=O)c1ccc(Nc2ncc
    c(n2)c3cnc(C)n3C(C)C)cc1; O=S(=O)(NCCOC)
    c1ccc(cc1)Nc2nccc(n2)c3cnc(n3C(C)C)C    		 N-(2-METHOXYETHYL)-4-({4-[2-METHYL-1-(1-METHYLETHYL)-1H-IMIDAZOL-5-YL]PYRIMIDIN-2-YL}AMINO)BENZENESULFONAMIDE
    20276
    FRU
    CHEMBL604608
    ZINC000001529270    		 1002 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4-,5+,6
    -/m1/s1;
    RFSUNEUAIZKAJO-ARQDHWQXSA-N    		 OC1C(O)C(OC1(O)CO)CO; C([C@@H]1[C@H]([C@
    @H]([C@](O1)(CO)O)O)O)O; OC[CH]1O[C](O)(
    CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O
    )O; OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1
    O    		 beta-D-fructofuranose;
    beta-D-fructose;
    D-fructose;
    fructose
    20277
    FRV
    DB07791
    ZINC000038995986    		 1 C18 H20 N6 O2 S InChI=1S/C18H20N6O2S/c1-1
    2-21-11-17(24(12)14-5-6-1
    4)16-9-10-20-18(23-16)22-
    13-3-7-15(8-4-13)27(25,26
    )19-2/h3-4,7-11,14,19H,5-
    6H2,1-2H3,(H,20,22,23);
    MZWCVBFANHIPTJ-UHFFFAOYSA-N    		 O=S(=O)(NC)c1ccc(cc1)Nc2nccc(n2)c3cnc(n3
    C4CC4)C; CN[S](=O)(=O)c1ccc(Nc2nccc(n2)c
    3cnc(C)n3C4CC4)cc1; Cc1ncc(n1C2CC2)c3ccn
    c(n3)Nc4ccc(cc4)S(=O)(=O)NC    		 4-{[4-(1-CYCLOPROPYL-2-METHYL-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-YL]AMINO}-N-METHYLBENZENESULFONAMIDE
    20278
    FRW
    ZINC000039290217    		 2 C24 H30 F3 N3 O6 InChI=1S/C24H30F3N3O6/c1-
    12(2)17(19(31)24(25,26)27
    )28-21(33)16-6-5-11-30(16
    )22(34)18(13(3)4)29-20(32
    )14-7-9-15(10-8-14)23(35)
    36/h7-10,12-13,16-18H,5-6
    ,11H2,1-4H3,(H,28,33)(H,2
    9,32)(H,35,36)/t16-,17-,1
    8-/m0/s1;
    FGNPKLCZJAUKFU-BZSNNMDCSA-N    		 CC(C)C(C(=O)C(F)(F)F)NC(=O)C1CCCN1C(=O)C
    (C(C)C)NC(=O)c2ccc(cc2)C(=O)O; CC(C)[C@@
    H](C(=O)C(F)(F)F)NC(=O)[C@@H]1CCCN1C(=O)
    [C@H](C(C)C)NC(=O)c2ccc(cc2)C(=O)O; CC(C
    )[C@H](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N2CCC
    [C@H]2C(=O)N[C@@H](C(C)C)C(=O)C(F)(F)F;
    CC(C)[CH](NC(=O)c1ccc(cc1)C(O)=O)C(=O)N2
    CCC[CH]2C(=O)N[CH](C(C)C)C(=O)C(F)(F)F;
    O=C(NC(C(=O)C(F)(F)F)C(C)C)C2N(C(=O)C(NC
    (=O)c1ccc(C(=O)O)cc1)C(C)C)CCC2    		 4-[[(2S)-3-methyl-1-oxo-1-[(2S)-2-[[(3S)-1,1,1-trifluoro-4-methyl-2-oxo-pentan-3-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamoyl]benzoic acid
    20279
    FRX
    DB07792
    ZINC000028818268    		 4 C20 H19 Cl N4 O4 S InChI=1S/C20H19ClN4O4S/c2
    1-16-9-12-8-13(24-19(12)3
    0-16)18(28)23-14-7-11-3-1
    -2-4-15(11)25(20(14)29)10
    -17(27)22-5-6-26/h1-4,8-9
    ,14,24,26H,5-7,10H2,(H,22
    ,27)(H,23,28)/t14-/m0/s1;
    VUKPNWLGSLOHIF-AWEZNQCLSA-N    		 Clc2sc1nc(cc1c2)C(=O)NC4C(=O)N(c3ccccc3C
    4)CC(=O)NCCO; OCCNC(=O)CN1C(=O)[C@H](Cc2
    ccccc12)NC(=O)c3[nH]c4sc(Cl)cc4c3; c1ccc
    2c(c1)CC(C(=O)N2CC(=O)NCCO)NC(=O)c3cc4cc
    (sc4[nH]3)Cl; c1ccc2c(c1)C[C@@H](C(=O)N2
    CC(=O)NCCO)NC(=O)c3cc4cc(sc4[nH]3)Cl; OC
    CNC(=O)CN1C(=O)[CH](Cc2ccccc12)NC(=O)c3[
    nH]c4sc(Cl)cc4c3    		 (S)-2-CHLORO-N-(1-(2-(2-HYDROXYETHYLAMINO)-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL)-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
    20280
    FRY
    DB07793
    ZINC000053683214    		 4 C18 H15 Cl N4 O3 S InChI=1S/C18H15ClN4O3S/c1
    9-14-7-10-6-11(22-17(10)2
    7-14)16(25)21-12-5-9-3-1-
    2-4-13(9)23(18(12)26)8-15
    (20)24/h1-4,6-7,12,14H,5,
    8H2,(H2,20,24)(H,21,25)/t
    12-,14+/m0/s1;
    ACSGSLPOHKRZCY-GXTWGEPZSA-N    		 NC(=O)CN1C(=O)[CH](Cc2ccccc12)NC(=O)C3=C
    C4=C[CH](Cl)SC4=N3; ClC2SC1=NC(=CC1=C2)C
    (=O)NC4C(=O)N(c3ccccc3C4)CC(=O)N; c1ccc2
    c(c1)C[C@@H](C(=O)N2CC(=O)N)NC(=O)C3=CC4
    =CC(SC4=N3)Cl; c1ccc2c(c1)CC(C(=O)N2CC(=
    O)N)NC(=O)C3=CC4=CC(SC4=N3)Cl; NC(=O)CN1
    C(=O)[C@H](Cc2ccccc12)NC(=O)C3=CC4=C[C@H
    ](Cl)SC4=N3    		 (2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
    20281
    FRZ
    CHEMBL259551
    DB07794
    ZINC000028565323    		 3 C18 H13 N7 InChI=1S/C18H13N7/c19-17-
    12-10-13(20-22-18(12)23-2
    1-17)15-14-8-4-5-9-25(14)
    24-16(15)11-6-2-1-3-7-11/
    h1-10H,(H3,19,21,22,23);
    XVECMUKVOMUNLE-UHFFFAOYSA-N    		 c1ccc(cc1)c2c(c3ccccn3n2)c4cc5c(n[nH]c5n
    n4)N; Nc1n[nH]c2nnc(cc12)c3c4ccccn4nc3c5
    ccccc5; n1nc5c(cc1c3c4ccccn4nc3c2ccccc2)
    c(nn5)N    		 5-(2-PHENYLPYRAZOLO[1,5-A]PYRIDIN-3-YL)-1H-PYRAZOLO[3,4-C]PYRIDAZIN-3-AMINE;
    FR180204
    20282
    FS0    		 1 Fe2 H S3 InChI=1S/2Fe.H2S.2S/h;;1H
    2;;/q;+1;;;/p-1;
    ANRWZFUZKQVIEA-UHFFFAOYSA-M    		 S[Fe]1S[Fe]S1; [Fe]1S[Fe](S1)S FE2/S3 CLUSTER
    20283
    FS1    		 0 Fe S InChI=1S/Fe.S;
    MBMLMWLHJBBADN-UHFFFAOYSA-N    		 [Fe]=S; S=[Fe] IRON/SULFUR CLUSTER
    20284
    FS2    		 17 Fe4 O3 S2 InChI=1S/4Fe.3O.2S;
    DEAINXNPDRNZAH-UHFFFAOYSA-N    		 O1[Fe]O2[Fe]134O[Fe]356[S]4[Fe]52S6; O1[
    Fe]O[Fe]1O[Fe]2S[Fe]S2    		 FE-S-O HYBRID CLUSTER
    20285
    FS3    		 0 Fe3 S4 InChI=1/3Fe.4S/rFe3S4/c4-
    1-2(4)3(1,5-1,6-2)7(1)2;
    FCXHZBQOKRZXKS-ATNAIZIRAP    		 S1[Fe]|2|3|4S[Fe]|56|2S[Fe]1|3|5S|46; S1
    [Fe]234[Fe]156[S]2[Fe]35(S4)S6    		 FE3-S4 CLUSTER
    20286
    FS4    		 0 Fe4 S4 InChI=1/4Fe.4S/rFe4S4/c5-
    1-2(5)3(1,5)4(1,2,6(1)2,7
    (1)3)8(2)3;
    LJBDFODJNLIPKO-OPQUVCQLAW    		 [S]12[Fe]3456[Fe]1789[Fe]2312[Fe]47([S]5
    8)([S]61)[S]92; [Fe]1|2|3|4|5|[Fe]|6|78|
    9|S1[Fe]|%10%11|2|6S|3[Fe]|4|7|%10(S|58)
    S|9%11    		 IRON/SULFUR CLUSTER
    20287
    FS5    		 2 Fe8 S13 InChI=1S/8Fe.H2S5.8S/c;;;
    ;;;;;1-3-5-4-2;;;;;;;;/h;
    ;;;;;;;1-2H;;;;;;;;/q;;;;
    ;;2*+1;;;;;;;;;/p-2;
    FDJYKHODDMRQJF-UHFFFAOYSA-L    		 S(SS[Fe]12[S]3[Fe]4[S]1[Fe]5[S]4[Fe]3[S]
    25)SS[Fe]67[S]8[Fe]9[S]6[Fe]1[S]9[Fe]8[S
    ]71; S(SS[Fe]12|S3[Fe]|4S5|[Fe]3S1|[Fe]5
    S2|4)SS[Fe]67|S8[Fe]|9S|%10[Fe](S6|9)|S7
    [Fe]8|%10    		 IRON/SULFUR PENTA-SULFIDE CONNECTED CLUSTERS;
    PENTASULFIDE-LINKED IRON CUBANES
    20288
    FS6
    CHEMBL5193227    		 1 C15 H21 N3 O S InChI=1S/C15H21N3OS/c1-5-
    11-14(10(3)19)9(2)17-15(1
    1)12-8-20-13(18-12)6-7-16
    -4/h8,16-17H,5-7H2,1-4H3;
    UTWAWNDFTMJUGN-UHFFFAOYSA-N    		 CCc1c([nH]c(C)c1C(C)=O)c2csc(CCNC)n2; CC
    c1c(c([nH]c1c2csc(n2)CCNC)C)C(=O)C    		 1-[4-ethyl-2-methyl-5-[2-[2-(methylamino)ethyl]-1,3-thiazol-4-yl]-1~{H}-pyrrol-3-yl]ethanone
    20289
    FS7
    ZINC000003165453    		 1 C24 H25 N3 O5 S InChI=1S/C24H25N3O5S/c1-1
    4-7-12-21-19(13-14)22(18-
    5-3-4-6-20(18)27-21)24(29
    )32-15(2)23(28)26-16-8-10
    -17(11-9-16)33(25,30)31/h
    3-6,8-11,14-15H,7,12-13H2
    ,1-2H3,(H,26,28)(H2,25,30
    ,31)/t14-,15-/m0/s1;
    ZICDFSXBQFNQBM-GJZGRUSLSA-N    		 O=S(=O)(N)c1ccc(cc1)NC(=O)C(OC(=O)c2c4c(
    nc3c2CC(CC3)C)cccc4)C; C[C@H]1CCc2nc3ccc
    cc3c(C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)[S](
    N)(=O)=O)c2C1; C[C@H]1CCc2c(c(c3ccccc3n2
    )C(=O)O[C@@H](C)C(=O)Nc4ccc(cc4)S(=O)(=O
    )N)C1; C[CH]1CCc2nc3ccccc3c(C(=O)O[CH](C
    )C(=O)Nc4ccc(cc4)[S](N)(=O)=O)c2C1; CC1C
    Cc2c(c(c3ccccc3n2)C(=O)OC(C)C(=O)Nc4ccc(
    cc4)S(=O)(=O)N)C1    		 (2S)-1-oxo-1-[(4-sulfamoylphenyl)amino]propan-2-yl (2S)-2-methyl-1,2,3,4-tetrahydroacridine-9-carboxylate
    20290
    FS8
    CHEMBL4575052
    ZINC000098208899    		 1 C31 H27 F N2 O5 InChI=1S/C31H27FN2O5/c32-
    28-13-10-23(15-29(28)34-3
    1(38)20-4-2-1-3-5-20)33-2
    2-9-12-26-21(14-22)7-6-19
    -8-11-25(16-27(19)30(26)3
    7)39-18-24(36)17-35/h1-5,
    8-16,24,33,35-36H,6-7,17-
    18H2,(H,34,38)/t24-/m1/s1;
    ZPBRNNLSMHDHFY-XMMPIXPASA-N    		 c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)C
    Cc5ccc(cc5C4=O)OCC(CO)O; c1ccc(cc1)C(=O)
    Nc2cc(ccc2F)Nc3ccc4c(c3)CCc5ccc(cc5C4=O)
    OC[C@@H](CO)O; OC[C@@H](O)COc1ccc2CCc3cc
    (Nc4ccc(F)c(NC(=O)c5ccccc5)c4)ccc3C(=O)c
    2c1; Fc2ccc(cc2NC(=O)c1ccccc1)Nc5cc4c(C(
    =O)c3c(ccc(OCC(O)CO)c3)CC4)cc5; OC[CH](O
    )COc1ccc2CCc3cc(Nc4ccc(F)c(NC(=O)c5ccccc
    5)c4)ccc3C(=O)c2c1    		 N-{5-[(7-{[(2R)-2,3-dihydroxypropyl]oxy}-5-oxo-10,11-dihydro-5H-dibenzo[a,d][7]annulen-2-yl)amino]-2-fluorophenyl}benzamide
    20291
    FS9
    ZINC000009059591    		 1 C18 H17 F3 N6 O InChI=1S/C18H17F3N6O/c19-
    18(20,21)12-2-1-3-13(8-12
    )26-17(28)11-4-6-27(7-5-1
    1)16-14-15(23-9-22-14)24-
    10-25-16/h1-3,8-11H,4-7H2
    ,(H,26,28)(H,22,23,24,25);
    RSRHDIYCQIWTON-UHFFFAOYSA-N    		 FC(F)(F)c1cccc(NC(=O)C2CCN(CC2)c3ncnc4[n
    H]cnc34)c1; FC(F)(F)c1cc(ccc1)NC(=O)C4CC
    N(c3ncnc2c3ncn2)CC4; c1cc(cc(c1)NC(=O)C2
    CCN(CC2)c3c4c([nH]cn4)ncn3)C(F)(F)F    		 1-(9H-purin-6-yl)-N-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
    20292
    FSA
    ZINC000058649601    		 6 C8 H14 O7 S InChI=1S/C8H14O7S/c9-4-1-
    15-8(14,7(13)6(4)12)3-16-
    2-5(10)11/h4,6-7,9,12-14H
    ,1-3H2,(H,10,11)/t4-,6-,7
    +,8-/m1/s1;
    UORIXTGMSRMKDZ-CCXZUQQUSA-N    		 C1C(C(C(C(O1)(CSCC(=O)O)O)O)O)O; O[CH]1C
    O[C](O)(CSCC(O)=O)[CH](O)[CH]1O; C1[C@H]
    ([C@H]([C@@H]([C@](O1)(CSCC(=O)O)O)O)O)O
    ; O[C@@H]1CO[C@](O)(CSCC(O)=O)[C@@H](O)[
    C@@H]1O; O=C(O)CSCC1(O)OCC(O)C(O)C1O    		 1-S-(carboxymethyl)-1-thio-beta-D-fructopyranose;
    1-S-(carboxymethyl)-1-thio-beta-D-fructose;
    1-S-(carboxymethyl)-1-thio-D-fructose;
    1-S-(carboxymethyl)-1-thio-fructose
    20293
    FSB
    DB02069    		 2 C14 H13 F N2 O3 S InChI=1S/C14H13FN2O3S/c15
    -13-4-2-1-3-11(13)9-17-14
    (18)10-5-7-12(8-6-10)21(1
    6,19)20/h1-8H,9H2,(H,17,1
    8)(H2,16,19,20);
    ULYMHSXFSKOHGH-UHFFFAOYSA-N    		 c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F
    ; c1cc(ccc1C(=O)NCc2ccccc2F)S(N)(=O)=O;
    N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2F    		 N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
    20294
    FSC
    CHEMBL4244843
    DB01780    		 34 C36 H56 O12 InChI=1S/C36H56O12/c1-10-
    35(6,7)45-17-26-30(41)33(
    46-21(5)38)31(42)34(47-26
    )48-32-28-24(18(2)15-44-2
    0(4)37)13-27(39)36(28,8)1
    4-25-22(16-43-9)11-12-23(
    25)19(3)29(32)40/h10,14,1
    8-19,22-23,26-27,29-34,39
    -42H,1,11-13,15-17H2,2-9H
    3/b25-14-/t18-,19-,22-,23
    +,26-,27+,29-,30-,31-,32-
    ,33+,34-,36+/m1/s1;
    KXTYBXCEQOANSX-WYKQKOHHSA-N    		 COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3
    O[CH](COC(C)(C)C=C)[CH](O)[CH](OC(C)=O)[
    CH]3O)C4=C(C[CH](O)[C]4(C)C=C12)[CH](C)C
    OC(C)=O; COC[C@H]/1CC[C@H]2[C@@H](C)[C@@
    H](O)[C@H](O[C@H]3O[C@H](COC(C)(C)C=C)[C
    @@H](O)[C@H](OC(C)=O)[C@H]3O)C4=C(C[C@H]
    (O)[C@]4(C)\C=C/12)[C@H](C)COC(C)=O; C[C
    @@H]1[C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](
    CC(=C3[C@H]([C@@H]1O)O[C@@H]4[C@@H]([C@H
    ]([C@@H]([C@H](O4)COC(C)(C)C=C)O)OC(=O)C
    )O)[C@H](C)COC(=O)C)O)C)COC; CC1C2CCC(C2
    =CC3(C(CC(=C3C(C1O)OC4C(C(C(C(O4)COC(C)(
    C)C=C)O)OC(=O)C)O)C(C)COC(=O)C)O)C)COC;
    O=C(OCC(C3=C2C(OC1OC(C(O)C(OC(=O)C)C1O)C
    OC(\C=C)(C)C)C(O)C(C)C4C(=CC2(C)C(O)C3)C
    (COC)CC4)C)C    		 FUSICOCCIN
    20295
    FSD    		 2 C29 H42 N6 O9 InChI=1S/C29H42N6O9/c1-15
    -19(44-26-24(38)23(37)22(
    34(4)5)16(2)43-26)10-11-2
    1(42-15)35-13-12-20(33-28
    (35)41)32-25(39)17-6-8-18
    (9-7-17)31-27(40)29(3,30)
    14-36/h6-9,12-13,15-16,19
    ,21-24,26,36-38H,10-11,14
    ,30H2,1-5H3,(H,31,40)(H,3
    2,33,39,41)/t15-,16-,19+,
    21-,22-,23+,24-,26-,29+/m
    1/s1;
    HDNVYHWHCVTDIV-ZENIWSRCSA-N    		 C[C@H]1O[C@H](CC[C@@H]1O[C@H]2O[C@H](C)[
    C@H]([C@H](O)[C@H]2O)N(C)C)N3C=CC(=NC3=O
    )NC(=O)c4ccc(NC(=O)[C@@](C)(N)CO)cc4; CC
    1C(CCC(O1)N2C=CC(=NC2=O)NC(=O)c3ccc(cc3)
    NC(=O)C(C)(CO)N)OC4C(C(C(C(O4)C)N(C)C)O)
    O; C[CH]1O[CH](CC[CH]1O[CH]2O[CH](C)[CH]
    ([CH](O)[CH]2O)N(C)C)N3C=CC(=NC3=O)NC(=O
    )c4ccc(NC(=O)[C](C)(N)CO)cc4; CC1OC(CCC1
    OC2C(C(C(C(C)O2)N(C)C)O)O)N4C=CC(NC(=O)c
    3ccc(cc3)NC(C(C)(CO)N)=O)=NC4=O; C[C@@H]
    1[C@H](CC[C@@H](O1)N2C=CC(=NC2=O)NC(=O)c
    3ccc(cc3)NC(=O)[C@](C)(CO)N)O[C@@H]4[C@@
    H]([C@H]([C@@H]([C@H](O4)C)N(C)C)O)O    		 amicetin;
    (4S)-N-{(4S)-1-[(2R,5S,6R)-5-{[4,6-dideoxy-4-(dimethylamino)-alpha-D-glucopyranosyl]oxy}-6-methyloxan-2-yl]-2-oxo-1,2,3,4-tetrahydropyrimidin-4-yl}-4-[(2-methyl-D-seryl)amino]cyclohexa-1,5-diene-1-carboxamide
    20296
    FSE
    CHEMBL31574
    DB07795
    ZINC000000039111    		 4 C15 H10 O6 InChI=1S/C15H10O6/c16-8-2
    -3-9-12(6-8)21-15(14(20)1
    3(9)19)7-1-4-10(17)11(18)
    5-7/h1-6,16-18,20H;
    XHEFDIBZLJXQHF-UHFFFAOYSA-N    		 Oc1ccc2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)O;
    c1cc(c(cc1C2=C(C(=O)c3ccc(cc3O2)O)O)O)O
    ; O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc
    3    		 3,7,3',4'-TETRAHYDROXYFLAVONE;
    Fisetin;
    2-(3,4-DIHYDROXYPHENYL)-3,7-DIHYDROXY-4H-CHROMEN-4-ONE
    20297
    FSF    		 0 Fe4 O S2 InChI=1/4Fe.O.2S/rFe4OS2/
    c1-2-7-3-4(7,5-1)6-3;
    ANJSROJJSKUDEH-RDKWERHRAJ    		 [Fe]|1|2S[Fe]3|1O[Fe][Fe]S|23; O1[Fe][Fe
    ][S]2[Fe]13[Fe]2S3; O1[Fe][Fe][S@]2[Fe@]
    13[Fe]2S3    		 4FE-2S-O HYBRID CLUSTER
    20298
    FSG
    ZINC000038139027    		 1 C2 H5 F N O5 P InChI=1S/C2H5FNO5P/c3-1(2
    (5)4-6)10(7,8)9/h1,6H,(H,
    4,5)(H2,7,8,9)/t1-/m0/s1;
    PDPXHRBRYUQCQA-SFOWXEAESA-N    		 [C@H](C(=O)NO)(F)P(=O)(O)O; ONC(=O)[CH](
    F)[P](O)(O)=O; O=C(NO)C(F)P(=O)(O)O; C(C
    (=O)NO)(F)P(=O)(O)O; ONC(=O)[C@@H](F)[P]
    (O)(O)=O    		 [(1S)-1-FLUORO-2-(HYDROXYAMINO)-2-OXOETHYL]PHOSPHONIC ACID
    20299
    FSH
    ZINC000098208900    		 1 C27 H35 N9 O16 P2 InChI=1S/C27H35N9O16P2/c1
    -10-3-12-13(4-11(10)2)35(
    25(43)27(33-12)24(42)32-2
    6(44)34-27)5-14(37)18(39)
    15(38)6-49-53(45,46)52-54
    (47,48)50-7-16-19(40)20(4
    1)23(51-16)36-9-31-17-21(
    28)29-8-30-22(17)36/h3-4,
    8-9,14-16,18-20,23,33,37-
    41H,5-7H2,1-2H3,(H,45,46)
    (H,47,48)(H2,28,29,30)(H2
    ,32,34,42,44)/t14-,15+,16
    +,18-,19+,20+,23+,27+/m0/
    s1;
    HUPQKJNMCVRMPP-QUWWARRSSA-N    		 Cc1cc2c(cc1C)N(C(=O)C3(N2)C(=O)NC(=O)N3)
    CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n
    5cnc6c5ncnc6N)O)O)O)O)O; Cc1cc2N[C]3(NC(
    =O)NC3=O)C(=O)N(C[CH](O)[CH](O)[CH](O)CO
    [P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O
    )[CH]4O)n5cnc6c(N)ncnc56)c2cc1C; Cc1cc2N
    [C@]3(NC(=O)NC3=O)C(=O)N(C[C@H](O)[C@H](
    O)[C@H](O)CO[P@](O)(=O)O[P@](O)(=O)OC[C@
    H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncn
    c56)c2cc1C; Cc1cc2c(cc1C)N(C(=O)[C@@]3(N
    2)C(=O)NC(=O)N3)C[C@@H]([C@@H]([C@@H](CO
    [P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]4[C@H](
    [C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O
    ; O=C1NC(=O)NC13Nc2cc(c(cc2N(C3=O)CC(O)C
    (O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c
    (ncnc45)N)C(O)C6O)C)C    		 (2R,3S,4S)-5-[(4R)-6',7'-dimethyl-2,3',5-trioxo-1'H-spiro[imidazolidine-4,2'-quinoxalin]-4'(3'H)-yl]-2,3,4-trihydroxypentyl-adenosine diphosphate
    20300
    FSI
    DB04211    		 13 C11 H18 F N O9 InChI=1S/C11H18FNO9/c1-3(
    15)13-5-7(18)9(12)11(21,1
    0(19)20)22-8(5)6(17)4(16)
    2-14/h4-9,14,16-18,21H,2H
    2,1H3,(H,13,15)(H,19,20)/
    t4-,5-,6-,7-,8-,9-,11+/m1
    /s1;
    ALJLGESFXXDPKH-RISWTRDCSA-N    		 CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[C@H]1[C
    @@H]([C@@H](CO)O)O)(C(=O)O)O)F)O; CC(=O)
    NC1C(C(C(OC1C(C(CO)O)O)(C(=O)O)O)F)O; CC
    (=O)N[CH]1[CH](O)[CH](F)[C](O)(O[CH]1[CH
    ](O)[CH](O)CO)C(O)=O; O=C(O)C1(O)OC(C(NC
    (=O)C)C(O)C1F)C(O)C(O)CO; CC(=O)N[C@@H]1
    [C@@H](O)[C@@H](F)[C@](O)(O[C@H]1[C@H](O
    )[C@H](O)CO)C(O)=O    		 5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid;
    5-(acetylamino)-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid;
    3-FLUOROSIALIC ACID;
    5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid;
    5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid;
    5-acetamido-3,5-dideoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid
    20301
    FSJ    		 0 C19 H35 F N4 O7 InChI=1S/C19H35FN4O7/c1-1
    9(27)7-28-18(13(26)16(19)
    24-2)31-15-11(23)5-10(22)
    14(12(15)25)30-17-9(21)4-
    3-8(6-20)29-17/h3,9-18,24
    -27H,4-7,21-23H2,1-2H3/t9
    -,10+,11-,12+,13-,14-,15+
    ,16-,17-,18-,19+/m1/s1;
    WYTHUXIFAFNYLB-YFMIWBNJSA-N    		 C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H
    ]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3
    [C@@H](CC=C(O3)CF)N)N)N)O; CN[CH]1[CH](O
    )[CH](OC[C]1(C)O)O[CH]2[CH](N)C[CH](N)[C
    H](O[CH]3OC(=CC[CH]3N)CF)[CH]2O; CC1(COC
    (C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CF)
    N)N)N)O; C1(OC(=CCC1N)CF)OC2C(CC(C(C2O)O
    C3OCC(C(C3O)NC)(C)O)N)N; CN[C@@H]1[C@@H]
    (O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H](N)C[C@
    H](N)[C@@H](O[C@H]3OC(=CC[C@H]3N)CF)[C@@
    H]2O    		 (1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2S,3R)-3-amino-6-(fluoromethyl)-3,4-dihydro-2H-pyran-2-yl]oxy}-2-hydroxycyclohexyl 3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranoside;
    6'-fluoro sisomicin
    20302
    FSK
    ZINC000098208901    		 2 C10 H13 F N2 O3 InChI=1S/C10H13FN2O3/c1-6
    -8(3-7(4-11)5-14)13(2)10(
    16)12-9(6)15/h3,14H,4-5H2
    ,1-2H3,(H,12,15,16)/b7-3+;
    NEZZLCCSEJKABY-XVNBXDOJSA-N    		 CC1=C(N(C(=O)NC1=O)C)C=C(CO)CF; CN1C(=O)
    NC(=O)C(=C1\C=C(CO)/CF)C; CN1C(=O)NC(=O)
    C(=C1C=C(CO)CF)C; CC1=C(N(C(=O)NC1=O)C)/
    C=C(/CO)\CF; O=C1C(=C(\C=C(/CF)CO)N(C(=O
    )N1)C)C    		 6-[(1Z)-3-fluoro-2-(hydroxymethyl)prop-1-en-1-yl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione
    20303
    FSL
    ZINC000000155877    		 1 C10 H10 O4 InChI=1S/C10H10O4/c11-9(1
    2)6-8(10(13)14)7-4-2-1-3-
    5-7/h1-5,8H,6H2,(H,11,12)
    (H,13,14)/t8-/m1/s1;
    LVFFZQQWIZURIO-MRVPVSSYSA-N    		 c1ccc(cc1)C(CC(=O)O)C(=O)O; OC(=O)C[CH](
    C(O)=O)c1ccccc1; OC(=O)C[C@@H](C(O)=O)c1
    ccccc1; O=C(O)C(c1ccccc1)CC(=O)O    		 (2R)-2-phenylbutanedioic acid
    20304
    FSM    		 0 C16 H28 N2 O11 InChI=1S/C16H28N2O11/c1-5
    (21)17-9-13(25)11(23)7(3-
    19)28-16(9)29-14-10(18-6(
    2)22)15(26)27-8(4-20)12(1
    4)24/h7-16,19-20,23-26H,3
    -4H2,1-2H3,(H,17,21)(H,18
    ,22)/t7-,8-,9-,10-,11+,12
    +,13-,14-,15-,16-/m1/s1;
    FJGXDMQHNYEUHI-LRFIHEIOSA-N    		 O=C(NC2C(OC1OC(C(O)C(O)C1NC(=O)C)CO)C(O)
    C(OC2O)CO)C; CC(=O)N[C@@H]1[C@H]([C@H]([
    C@H](O[C@@H]1O[C@@H]2[C@H]([C@@H](O[C@@H
    ]([C@@H]2O)CO)O)NC(=O)C)CO)O)O; CC(=O)N[
    CH]1[CH](O)[CH](O)[CH](CO)O[CH]1O[CH]2[C
    H](O)[CH](CO)O[CH](O)[CH]2NC(C)=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](CO)O[C@@H](O
    )[C@@H]2NC(C)=O; CC(=O)NC1C(C(C(OC1OC2C(
    C(OC(C2O)CO)O)NC(=O)C)CO)O)O    		 FORSMANN ANTIGEN;
    2-(ACETYLAMINO)-3-O-[2-(ACETYLAMINO)-2-DEOXY-ALPHA-L-GALACTOPYRANOSYL]-2-DEOXY-BETA-L-GALACTOPYRANOSE
    20305
    FSN
    DB07796    		 1 C23 H24 F N4 O2 InChI=1S/C23H23FN4O2/c24-
    16-9-3-13(4-10-16)12-28-2
    2(29)18-17-2-1-11-27(17)2
    0(19(18)23(28)30)14-5-7-1
    5(8-6-14)21(25)26/h3-10,1
    7-20H,1-2,11-12H2,(H3,25,
    26)/p+1/t17-,18-,19-,20-/
    m0/s1;
    GJYCQHGTXMVIBG-MUGJNUQGSA-O    		 NC(=[NH2+])c1ccc(cc1)[CH]2[CH]3[CH]([CH]
    4CCCN24)C(=O)N(Cc5ccc(F)cc5)C3=O; c1cc(c
    cc1CN2C(=O)C3C4CCCN4C(C3C2=O)c5ccc(cc5)C
    (=[NH2+])N)F; NC(=[NH2+])c1ccc(cc1)[C@H]
    2[C@@H]3[C@H]([C@@H]4CCCN24)C(=O)N(Cc5cc
    c(F)cc5)C3=O; c1cc(ccc1CN2C(=O)[C@H]3[C@
    @H]4CCC[N@@]4[C@H]([C@H]3C2=O)c5ccc(cc5)
    C(=[NH2+])N)F; Fc1ccc(cc1)CN2C(=O)C5C(C2
    =O)C3N(CCC3)C5c4ccc(C(=[NH2+])\N)cc4    		 (3ASR,4RS,8ASR,8BRS)-4-(2-(4-FLUOROBENZYL)-1,3-DIOXODEACAHYDROPYRROLO[3,4-A] PYRROLIZIN-4-YL)BENZAMIDINE
    20306
    FSO    		 10 Fe4 O3 S3 InChI=1S/4Fe.3O.3S/q;;;;;
    ;;;-1;+1;
    JQPFOUXUGPAEOB-UHFFFAOYSA-N    		 O1[Fe]O[Fe]2(O[Fe]3[S+]2[Fe]1S3)[S-]; [S
    -][Fe@@]12O[Fe]O[Fe]3S[Fe](O1)[S@@+]23;
    O1[Fe]O[Fe]2(O[Fe]3[S@@+]2[Fe]1S3)[S-];
    [S-][Fe]12O[Fe]O[Fe]3S[Fe](O1)[S+]23    		 IRON/SULFUR/OXYGEN HYBRID CLUSTER
    20307
    FSP
    CHEMBL185097
    DB01858
    ZINC000003817099    		 3 C23 H29 F N4 O4 InChI=1S/C23H29FN4O4/c1-2
    -3-5-18(20(29)21(30)27-19
    -10-13-25-28-19)26-22(31)
    32-15-23(11-4-12-23)14-16
    -6-8-17(24)9-7-16/h6-10,1
    3,18H,2-5,11-12,14-15H2,1
    H3,(H,26,31)(H2,25,27,28,
    30)/t18-/m0/s1;
    QTPYRNAKLBXKNP-SFHVURJKSA-N    		 CCCC[CH](NC(=O)OCC1(CCC1)Cc2ccc(F)cc2)C(
    =O)C(=O)Nc3[nH]ncc3; CCCC[C@H](NC(=O)OCC
    1(CCC1)Cc2ccc(F)cc2)C(=O)C(=O)Nc3[nH]ncc
    3; CCCCC(C(=O)C(=O)Nc1ccn[nH]1)NC(=O)OCC
    2(CCC2)Cc3ccc(cc3)F; CCCC[C@@H](C(=O)C(=
    O)Nc1ccn[nH]1)NC(=O)OCC2(CCC2)Cc3ccc(cc3
    )F; O=C(C(=O)C(NC(=O)OCC2(Cc1ccc(F)cc1)C
    CC2)CCCC)Nc3ccnn3    		 [1-(4-FLUOROBENZYL)CYCLOBUTYL]METHYL (1S)-1-[OXO(1H-PYRAZOL-5-YLAMINO)ACETYL]PENTYLCARBAMATE
    20308
    FSQ    		 3 C8 H14 O5 InChI=1S/C8H14O5/c1-8(13)
    3-4(7(11)12)2-5(9)6(8)10/
    h4-6,9-10,13H,2-3H2,1H3,(
    H,11,12)/t4-,5+,6-,8+/m0/
    s1;
    OFMSIUGUPGSXKY-SKHQTKALSA-N    		 C[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O)
    =O; C[C@]1(C[C@H](C[C@H]([C@@H]1O)O)C(=O
    )O)O; CC1(CC(CC(C1O)O)C(=O)O)O; C[C]1(O)
    C[CH](C[CH](O)[CH]1O)C(O)=O    		 (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid
    20309
    FSR    		 1 C11 H17 F2 N O8 InChI=1S/C11H17F2NO8/c1-3
    (16)14-5-7(19)9(12)11(13,
    10(20)21)22-8(5)6(18)4(17
    )2-15/h4-9,15,17-19H,2H2,
    1H3,(H,14,16)(H,20,21)/t4
    -,5+,6-,7+,8+,9-,11+/m0/s
    1;
    HMALKZAXODOYOP-JVUHFKPCSA-N    		 CC(=O)N[CH]1[CH](O)[CH](F)[C](F)(O[CH]1[
    CH](O)[CH](O)CO)C(O)=O; CC(=O)N[C@@H]1[C
    @@H](O)[C@H](F)[C@@](F)(O[C@H]1[C@@H](O)
    [C@@H](O)CO)C(O)=O; CC(=O)NC1C(C(C(OC1C(
    C(CO)O)O)(C(=O)O)F)F)O; FC1(OC(C(NC(=O)C
    )C(O)C1F)C(O)C(O)CO)C(=O)O; CC(=O)N[C@@H
    ]1[C@H]([C@@H]([C@](O[C@H]1[C@H]([C@H](C
    O)O)O)(C(=O)O)F)F)O    		 (2S,3S,4R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-4-oxidanyl-6-[(1S,2S)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid;
    2,3-difluorosialic acid
    20310
    FSS
    ZINC000058660553    		 1 C24 H26 Cl2 N6 O2 InChI=1S/C24H26Cl2N6O2/c1
    -4-31(5-2)15-34-18-11-9-1
    7(10-12-18)28-23-27-13-16
    -14-32(24(33)30(3)22(16)2
    9-23)21-19(25)7-6-8-20(21
    )26/h6-13H,4-5,14-15H2,1-
    3H3,(H,27,28,29);
    MROKTXFTKSWSMO-UHFFFAOYSA-N    		 CCN(CC)COc1ccc(cc1)Nc2ncc3c(n2)N(C(=O)N(
    C3)c4c(cccc4Cl)Cl)C; Clc4cccc(Cl)c4N2C(=
    O)N(c1nc(ncc1C2)Nc3ccc(OCN(CC)CC)cc3)C;
    CCN(CC)COc1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c
    4c(Cl)cccc4Cl)cc1    		 3-(2,6-dichlorophenyl)-7-({4-[(diethylamino)methoxy]phenyl}amino)-1-methyl-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one
    20311
    FST
    ZINC000003875793    		 4 C11 H17 O4 P S2 InChI=1S/C11H17O4PS2/c1-4
    -13-16(17,14-5-2)15-10-6-
    8-11(9-7-10)18(3)12/h6-9H
    ,4-5H2,1-3H3/t18-/m1/s1;
    XDNBJTQLKCIJBV-GOSISDBHSA-N    		 CCO[P](=S)(OCC)Oc1ccc(cc1)[S](C)=O; O=S(
    c1ccc(OP(=S)(OCC)OCC)cc1)C; CCOP(=S)(OCC
    )Oc1ccc(cc1)[S@](=O)C; CCOP(=S)(OCC)Oc1c
    cc(cc1)S(=O)C; CCO[P](=S)(OCC)Oc1ccc(cc1
    )[S@@](C)=O    		 O,O-diethyl O-{4-[(R)-methylsulfinyl]phenyl} phosphorothioate;
    Fensulfothion
    20312
    FSU
    CHEMBL3605967    		 4 C13 H16 N2 O3 InChI=1S/C13H16N2O3/c1-18
    -7-3-6-15-8-9-4-2-5-10(12
    (14)16)11(9)13(15)17/h2,4
    -5H,3,6-8H2,1H3,(H2,14,16
    );
    VARCSQSOWLMGTH-UHFFFAOYSA-N    		 COCCCN1Cc2cccc(c2C1=O)C(=O)N; COCCCN1Cc2
    cccc(C(N)=O)c2C1=O    		 2-(3-methoxypropyl)-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide
    20313
    FSV
    ZINC000098208903    		 2 C14 H11 F O3 InChI=1S/C14H11FO3/c15-13
    -7-9(3-4-14(13)18)1-2-10-
    5-11(16)8-12(17)6-10/h1-8
    ,16-18H/b2-1+;
    VDUXKKFOASWEKM-OWOJBTEDSA-N    		 Oc1cc(O)cc(C=Cc2ccc(O)c(F)c2)c1; Oc1cc(O
    )cc(/C=C/c2ccc(O)c(F)c2)c1; c1cc(c(cc1/C
    =C/c2cc(cc(c2)O)O)F)O; c1cc(c(cc1C=Cc2cc
    (cc(c2)O)O)F)O; Fc2cc(\C=C\c1cc(O)cc(O)c
    1)ccc2O    		 5-[(E)-2-(3-fluoro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol;
    fluoro-resveratrol
    20314
    FSW    		 75 C8 H16 O4 Se InChI=1S/C8H16O4Se/c1-4-5
    (9)6(10)7(13-3)8(11-2)12-
    4/h4-10H,1-3H3/t4-,5+,6+,
    7-,8+/m0/s1;
    GFGVRXDXSFUDNW-FMGWEMOISA-N    		 CO[CH]1O[CH](C)[CH](O)[CH](O)[CH]1[Se]C;
    C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)OC)
    [Se]C)O)O; CC1C(C(C(C(O1)OC)[Se]C)O)O; C
    O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@
    H]1[Se]C    		 methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactopyranoside;
    (2S,3S,4R,5S,6R)-6-methoxy-2-methyl-5-methylselanyl-oxane-3,4-diol;
    methyl 6-deoxy-2-Se-methyl-2-seleno-alpha-L-galactoside;
    methyl 6-deoxy-2-Se-methyl-2-seleno-L-galactoside;
    methyl 6-deoxy-2-Se-methyl-2-seleno-galactoside
    20315
    FSX    		 9 Fe4 O3 S3 InChI=1S/4Fe.H2O.2O.3S/h;
    ;;;1H2;;;;;/q;;;+1;;;;;;/
    p-1;
    BIOGFUMNBIDAOG-UHFFFAOYSA-M    		 O.O1[Fe]O[Fe]2S[Fe]S[Fe]1S2; [O][Fe]1O[F
    e]23S[Fe]245[S]3[Fe]4(O1)S5    		 BIS-(MU-2-OXO),[(MU-3--SULFIDO)-BIS(MU-2--SULFIDO)-TRIS(CYS-S)-TRI-IRON] (AQUA)(GLU-O)IRON(II);
    FE4-S3-O3 CLUSTER
    20316
    FSY
    CHEMBL3137332
    DB12011
    ZINC000043101772    		 1 C19 H17 F3 N2 O4 S InChI=1S/C19H17F3N2O4S/c1
    -11-15(9-17(25)26)14-4-3-
    7-23-18(14)24(11)10-12-5-
    6-13(29(2,27)28)8-16(12)1
    9(20,21)22/h3-8H,9-10H2,1
    -2H3,(H,25,26);
    GFPPXZDRVCSVNR-UHFFFAOYSA-N    		 Cc1n(Cc2ccc(cc2C(F)(F)F)[S](C)(=O)=O)c3n
    cccc3c1CC(O)=O; Cc1c(c2cccnc2n1Cc3ccc(cc
    3C(F)(F)F)S(=O)(=O)C)CC(=O)O; OC(Cc1c3c(
    n(c1C)Cc2ccc(cc2C(F)(F)F)S(=O)(=O)C)nccc
    3)=O    		 fevipiprant;
    (2-methyl-1-{[4-(methylsulfonyl)-2-(trifluoromethyl)phenyl]methyl}-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid
    20317
    FSZ
    CHEMBL4476817    		 1 C13 H17 F3 N4 InChI=1S/C13H17F3N4/c14-1
    3(15,16)10-5-9(8-1-3-19-4
    -2-8)6-11(7-10)20-12(17)1
    8/h5-8,19H,1-4H2,(H4,17,1
    8,20);
    SVJLJEMEWHBCNB-UHFFFAOYSA-N    		 [H]/N=C(/N)\Nc1cc(cc(c1)C(F)(F)F)C2CCNCC
    2; c1c(cc(cc1C(F)(F)F)NC(=N)N)C2CCNCC2;
    NC(=N)Nc1cc(cc(c1)C(F)(F)F)C2CCNCC2    		 1-[3-piperidin-4-yl-5-(trifluoromethyl)phenyl]guanidine
    20318
    FT0
    CHEMBL240949
    ZINC000028871069    		 4 C13 H10 O3 InChI=1S/C13H10O3/c14-9-1
    0-6-7-13(12(15)8-10)16-11
    -4-2-1-3-5-11/h1-9,15H;
    MYXBTODVMFBVIC-UHFFFAOYSA-N    		 Oc1cc(C=O)ccc1Oc2ccccc2; c1ccc(cc1)Oc2cc
    c(cc2O)C=O    		 3-hydroxy-4-phenoxybenzaldehyde
    20319
    FT1
    CHEMBL240804
    ZINC000096900552    		 6 C13 H8 Cl2 O3 InChI=1S/C13H8Cl2O3/c14-9
    -2-4-12(10(15)6-9)18-13-3
    -1-8(7-16)5-11(13)17/h1-7
    ,17H;
    GKHZEXMYTPRFKV-UHFFFAOYSA-N    		 Oc1cc(C=O)ccc1Oc2ccc(Cl)cc2Cl; Clc2cc(Cl
    )ccc2Oc1ccc(C=O)cc1O; c1cc(c(cc1C=O)O)Oc
    2ccc(cc2Cl)Cl    		 4-(2,4-dichlorophenoxy)-3-hydroxybenzaldehyde
    20320
    FT2
    CHEMBL240805
    ZINC000028869356    		 4 C13 H9 Cl3 O2 InChI=1S/C13H9Cl3O2/c14-7
    -8-1-3-13(11(17)5-8)18-12
    -4-2-9(15)6-10(12)16/h1-6
    ,17H,7H2;
    XVCALTYAVXDHNO-UHFFFAOYSA-N    		 c1cc(c(cc1CCl)O)Oc2ccc(cc2Cl)Cl; Oc1cc(C
    Cl)ccc1Oc2ccc(Cl)cc2Cl    		 5-(chloromethyl)-2-(2,4-dichlorophenoxy)phenol
    20321
    FT3
    CHEMBL240806
    ZINC000028869360    		 2 C13 H10 Cl2 O3 InChI=1S/C13H10Cl2O3/c14-
    9-2-4-12(10(15)6-9)18-13-
    3-1-8(7-16)5-11(13)17/h1-
    6,16-17H,7H2;
    GILJPGZIIDINED-UHFFFAOYSA-N    		 OCc1ccc(Oc2ccc(Cl)cc2Cl)c(O)c1; c1cc(c(c
    c1CO)O)Oc2ccc(cc2Cl)Cl    		 2-(2,4-dichlorophenoxy)-5-(hydroxymethyl)phenol
    20322
    FT4
    CHEMBL179036
    ZINC000013608926    		 1 C21 H21 F N2 O4 S InChI=1S/C21H21FN2O4S/c1-
    23(29(27,28)16-9-6-14(22)
    7-10-16)15-8-11-20-18(12-
    15)17-4-2-3-5-19(17)24(20
    )13-21(25)26/h2-7,9-10,15
    H,8,11-13H2,1H3,(H,25,26)
    /t15-/m1/s1;
    CANCTKXGRVNXFP-OAHLLOKOSA-N    		 CN(C2CCc1n(c3c(c1C2)cccc3)CC(O)=O)S(c4cc
    c(F)cc4)(=O)=O; CN([CH]1CCc2n(CC(O)=O)c3
    ccccc3c2C1)[S](=O)(=O)c4ccc(F)cc4; CN(C1
    CCc2c(c3ccccc3n2CC(=O)O)C1)S(=O)(=O)c4cc
    c(cc4)F; CN([C@@H]1CCc2c(c3ccccc3n2CC(=O
    )O)C1)S(=O)(=O)c4ccc(cc4)F; CN([C@@H]1CC
    c2n(CC(O)=O)c3ccccc3c2C1)[S](=O)(=O)c4cc
    c(F)cc4    		 [(3R)-3-{[(4-fluorophenyl)sulfonyl](methyl)amino}-1,2,3,4-tetrahydro-9H-carbazol-9-yl]acetic acid;
    CAY10471
    20323
    FT5    		 1 C7 H12 O5 InChI=1S/C7H12O5/c8-4-1-3
    (7(11)12)2-5(9)6(4)10/h3-
    6,8-10H,1-2H2,(H,11,12)/t
    3-,4+,5-,6-;
    SOWVWGZSLABJMC-HMWJNGDSSA-N    		 C1[C@H](C(C(CC1C(=O)O)O)O)O; O[C@H]1C[C@
    H](C[C@@H](O)[C@@H]1O)C(O)=O; C1C(CC(C(C
    1O)O)O)C(=O)O; O[CH]1C[CH](C[CH](O)[CH]1
    O)C(O)=O    		 (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid
    20324
    FT6
    ZINC000000056393    		 4 C11 H11 F N2 O2 InChI=1S/C11H11FN2O2/c12-
    7-1-2-8-6(3-9(13)11(15)16
    )5-14-10(8)4-7/h1-2,4-5,9
    ,14H,3,13H2,(H,15,16)/t9-
    /m0/s1;
    YMEXGEAJNZRQEH-VIFPVBQESA-N    		 N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(O)=O; O=C
    (O)C(N)Cc2c1ccc(F)cc1nc2; c1cc2c(cc1F)[n
    H]cc2CC(C(=O)O)N; N[CH](Cc1c[nH]c2cc(F)c
    cc12)C(O)=O; c1cc2c(cc1F)[nH]cc2C[C@@H](
    C(=O)O)N    		 6-FLUORO-L-TRYPTOPHAN;
    (S)-2-AMINO-3-(6-FLUORO-1H-INDOL-3-YL)PROPANOIC ACID
    20325
    FT7
    ZINC000205997535    		 1 C27 H26 F2 N2 O InChI=1S/C27H26F2N2O/c1-4
    -25(19-8-6-5-7-9-19)30-27
    (32)20-11-13-26-23(14-20)
    17(2)18(3)31(26)16-21-10-
    12-22(28)15-24(21)29/h5-1
    5,25H,4,16H2,1-3H3,(H,30,
    32)/t25-/m1/s1;
    BLRMZPQNLCVHEV-RUZDIDTESA-N    		 CCC(c1ccccc1)NC(=O)c2ccc3c(c2)c(c(n3Cc4c
    cc(cc4F)F)C)C; CC[C@H](c1ccccc1)NC(=O)c2
    ccc3c(c2)c(c(n3Cc4ccc(cc4F)F)C)C; CC[C@@
    H](NC(=O)c1ccc2n(Cc3ccc(F)cc3F)c(C)c(C)c
    2c1)c4ccccc4; CC[CH](NC(=O)c1ccc2n(Cc3cc
    c(F)cc3F)c(C)c(C)c2c1)c4ccccc4; CCC(c1cc
    ccc1)NC(=O)c2ccc4c(c2)c(c(C)n4Cc3c(F)cc(
    cc3)F)C    		 1-[(2,4-difluorophenyl)methyl]-2,3-dimethyl-N-[(1R)-1-phenylpropyl]-1H-indole-5-carboxamide
    20326
    FT8
    CHEMBL289556
    DB00886
    ZINC000003809801    		 8 C19 H24 N2 O4 S2 InChI=1S/C19H24N2O4S2/c22
    -17(15(26)11-12-5-2-1-3-6
    -12)20-13-9-10-27-16-8-4-
    7-14(19(24)25)21(16)18(13
    )23/h1-3,5-6,13-16,26H,4,
    7-11H2,(H,20,22)(H,24,25)
    /t13-,14-,15-,16-/m0/s1;
    LVRLSYPNFFBYCZ-VGWMRTNUSA-N    		 OC(=O)[CH]1CCC[CH]2SCC[CH](NC(=O)[CH](S)
    Cc3ccccc3)C(=O)N12; c1ccc(cc1)CC(C(=O)NC
    2CCSC3CCCC(N3C2=O)C(=O)O)S; OC(=O)[C@@H]
    1CCC[C@@H]2SCC[C@H](NC(=O)[C@@H](S)Cc3cc
    ccc3)C(=O)N12; c1ccc(cc1)C[C@@H](C(=O)N[
    C@H]2CCS[C@H]3CCC[C@H](N3C2=O)C(=O)O)S    		 Omapatrilat
    20327
    FT9    		 1 C26 H28 F6 O3 InChI=1S/C26H28F6O3/c1-3-
    19(11-12-20-15-22(33)16-2
    3(34)17(20)2)21-10-7-9-18
    (14-21)8-5-4-6-13-24(35,2
    5(27,28)29)26(30,31)32/h7
    ,9-12,14,22-23,33-35H,2-3
    ,5,8,13,15-16H2,1H3/b19-1
    1+,20-12-/t22-,23+/m1/s1;
    LEJUFRSKGGKGDS-JRJKOMHBSA-N    		 CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCC#C
    CC(C(F)(F)F)(C(F)(F)F)O; CCC(=CC=C1C[CH]
    (O)C[CH](O)C1=C)c2cccc(CCC#CCC(O)(C(F)(F
    )F)C(F)(F)F)c2; CCC(=C\C=C1\C[C@@H](O)C[
    C@H](O)C1=C)/c2cccc(CCC#CCC(O)(C(F)(F)F)
    C(F)(F)F)c2; CC/C(=C\C=C/1\C[C@H](C[C@@H
    ](C1=C)O)O)/c2cccc(c2)CCC#CCC(C(F)(F)F)(
    C(F)(F)F)O    		 (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)hept-3-ynyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol
    20328
    FTA
    DB04430
    ZINC000005939104    		 2 C16 H13 N7 InChI=1S/C16H13N7/c17-10-
    12(16-20-22-23-21-16)11-1
    8-13-6-8-15(9-7-13)19-14-
    4-2-1-3-5-14/h1-9,11,18-1
    9H,(H,20,21,22,23)/b12-11
    -;
    FLPLCJJGNZGOAW-QXMHVHEDSA-N    		 N#CC(=CNc1ccc(Nc2ccccc2)cc1)c3n[nH]nn3;
    N#C/C(=C/Nc1ccc(Nc2ccccc2)cc1)c3n[nH]nn3
    ; N#C\C(=C\Nc2ccc(Nc1ccccc1)cc2)c3nnnn3;
    c1ccc(cc1)Nc2ccc(cc2)N\C=C(\C#N)/c3n[nH
    ]nn3; c1ccc(cc1)Nc2ccc(cc2)NC=C(C#N)c3n[
    nH]nn3    		 3-(4-PHENYLAMINO-PHENYLAMINO)-2-(1H-TETRAZOL-5-YL)-ACRYLONITRILE
    20329
    FTB
    CHEMBL120708
    DB02008
    ZINC000015804848    		 1 C25 H26 F N5 O3 InChI=1S/C25H26FN5O3/c1-3
    -4-13-30-23-22(24(33)31(2
    5(30)34)15-18-7-5-6-8-20(
    18)26)28-21(29-23)14-17-9
    -11-19(12-10-17)27-16(2)3
    2/h5-12H,3-4,13-15H2,1-2H
    3,(H,27,32)(H,28,29);
    JHSHXKJSPVHPCJ-UHFFFAOYSA-N    		 CCCCN1C(=O)N(Cc2ccccc2F)C(=O)c3[nH]c(Cc4
    ccc(NC(C)=O)cc4)nc13; CCCCN1c2c([nH]c(n2
    )Cc3ccc(cc3)NC(=O)C)C(=O)N(C1=O)Cc4ccccc
    4F; Fc1ccccc1CN3C(=O)N(c2nc(nc2C3=O)Cc4c
    cc(NC(=O)C)cc4)CCCC    		 N-{4-[1-(2-FLUOROBENZYL)-3-BUTYL-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YLMETHYL]-PHENYL}-ACETAMIDE;
    1-(2-FLUOROBENZYL)-3-BUTYL-8-(N-ACETYL-4-AMINOBENZYL)-XANTHINE
    20330
    FTC
    DB07797
    ZINC000003873315    		 2 C15 H16 Cl F N4 O S InChI=1S/C15H16ClFN4OS/c1
    -2-22-12-6-8-18-11(14(12)
    17)5-7-19-15(23)21-13-4-3
    -10(16)9-20-13/h3-4,6,8-9
    H,2,5,7H2,1H3,(H2,19,20,2
    1,23);
    VEBKSFPYWMOUBR-UHFFFAOYSA-N    		 CCOc1ccnc(CCNC(=S)Nc2ccc(Cl)cn2)c1F; S=C
    (Nc1ncc(Cl)cc1)NCCc2nccc(OCC)c2F; CCOc1c
    cnc(c1F)CCNC(=S)Nc2ccc(cn2)Cl    		 N-[[3-FLUORO-4-ETHOXY-PYRID-2-YL]ETHYL]-N'-[5-CHLORO-PYRIDYL]-THIOUREA
    20331
    FTD
    ZINC000103542020    		 1 C8 H14 F N3 O9 P2 S InChI=1S/C8H14FN3O9P2S/c9
    -4-1-12(8(13)11-7(4)10)5-
    3-24-6(20-5)2-19-23(17,18
    )21-22(14,15)16/h5-6H,1-3
    ,10H2,(H,11,13)(H,17,18)(
    H2,14,15,16)/t5-,6+/m0/s1;
    DSUZHKWUVJBGFZ-NTSWFWBYSA-N    		 NC1=C(F)CN([C@@H]2CS[C@H](CO[P](O)(=O)O[
    P](O)(O)=O)O2)C(=O)N1; NC1=C(F)CN([CH]2C
    S[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)N
    1; C1C(OC(S1)COP(=O)(O)OP(=O)(O)O)N2CC(=
    C(NC2=O)N)F; C1[C@H](O[C@H](S1)COP(=O)(O
    )OP(=O)(O)O)N2CC(=C(NC2=O)N)F; O=P(O)(O)
    OP(=O)(O)OCC2OC(N1C(=O)NC(=C(F)C1)N)CS2    		 [(2R,5S)-5-(4-amino-5-fluoro-2-oxo-3,6-dihydropyrimidin-1(2H)-yl)-1,3-oxathiolan-2-yl]methyl trihydrogen diphosphate
    20332
    FTE
    CHEMBL309036
    ZINC000000164500    		 0 C7 H5 N S InChI=1S/C7H5NS/c9-6-8-7-
    4-2-1-3-5-7/h1-5H;
    QKFJKGMPGYROCL-UHFFFAOYSA-N    		 c1ccc(cc1)N=C=S; S=C=Nc1ccccc1; S=C=N\c1
    ccccc1    		 phenylisothiocyanate;
    isothiocyanatobenzene
    20333
    FTG    		 6 C31 H40 N8 O5 InChI=1S/C31H40N8O5/c32-2
    3(30(43)35-13-12-19-6-9-2
    2(40)10-7-19)11-8-21(16-3
    4-15-20-4-2-1-3-5-20)14-2
    4-26(41)27(42)31(44-24)39
    -18-38-25-28(33)36-17-37-
    29(25)39/h1-7,9-10,17-18,
    21,23-24,26-27,31,34,40-4
    2H,8,11-16,32H2,(H,35,43)
    (H2,33,36,37)/t21-,23-,24
    +,26+,27+,31+/m0/s1;
    BSSHHGWCSNARRG-FRWVVBMCSA-N    		 O=C(C(CCC(CC3OC(n1c2ncnc(c2nc1)N)C(C3O)O
    )CNCc4ccccc4)N)NCCc5ccc(cc5)O; c1ccc(cc1
    )CNC[C@@H](CC[C@@H](C(=O)NCCc2ccc(cc2)O)
    N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4
    ncnc5N)O)O; N[C@@H](CC[C@H](CNCc1ccccc1)
    C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N
    )ncnc34)C(=O)NCCc5ccc(O)cc5; c1ccc(cc1)C
    NCC(CCC(C(=O)NCCc2ccc(cc2)O)N)CC3C(C(C(O
    3)n4cnc5c4ncnc5N)O)O; N[CH](CC[CH](CNCc1
    ccccc1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c
    (N)ncnc34)C(=O)NCCc5ccc(O)cc5    		 (2S,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-hydroxyphenyl)ethyl]hexanamide;
    (S)-SKI-72
    20334
    FTH
    CHEMBL29946
    ZINC000013489035    		 1 C31 H28 N6 O InChI=1S/C31H28N6O/c1-36-
    21-34-19-26(36)15-30(35-1
    8-23-11-9-22(16-32)10-12-
    23)31(38)37-14-13-25(17-3
    3)29(20-37)28-8-4-6-24-5-
    2-3-7-27(24)28/h2-12,19,2
    1,30,35H,13-15,18,20H2,1H
    3/t30-/m0/s1;
    ADDOXKIOPBTSEG-PMERELPUSA-N    		 N#CC5=C(c2c1ccccc1ccc2)CN(C(=O)C(NCc3ccc
    (C#N)cc3)Cc4cncn4C)CC5; Cn1cncc1C[CH](NC
    c2ccc(cc2)C#N)C(=O)N3CCC(=C(C3)c4cccc5cc
    ccc45)C#N; Cn1cncc1C[C@H](NCc2ccc(cc2)C#
    N)C(=O)N3CCC(=C(C3)c4cccc5ccccc45)C#N; C
    n1cncc1C[C@@H](C(=O)N2CCC(=C(C2)c3cccc4c
    3cccc4)C#N)NCc5ccc(cc5)C#N; Cn1cncc1CC(C
    (=O)N2CCC(=C(C2)c3cccc4c3cccc4)C#N)NCc5c
    cc(cc5)C#N    		 1-[2-(4-CYANO-BENZYLAMINO)-3-(3-METHYL-3H-IMIDAZOL-4-YL)-PROPIONYL]-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE
    20335
    FTI
    CHEMBL30059
    ZINC000013489043    		 1 C29 H23 N5 O InChI=1S/C29H23N5O/c30-15
    -21-8-10-22(11-9-21)18-34
    -20-32-17-25(34)14-29(35)
    33-13-12-24(16-31)28(19-3
    3)27-7-3-5-23-4-1-2-6-26(
    23)27/h1-11,17,20H,12-14,
    18-19H2;
    KXPIURLUHSBSHE-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2C3=C(CCN(C3)C(=O)Cc4cncn
    4Cc5ccc(cc5)C#N)C#N; O=C(Cc1cncn1Cc2ccc(
    cc2)C#N)N3CCC(=C(C3)c4cccc5ccccc45)C#N;
    N#CC5=C(c2c1ccccc1ccc2)CN(C(=O)Cc3cncn3C
    c4ccc(C#N)cc4)CC5    		 1-{2-[3-(4-CYANO-BENZYL)-3H-IMIDAZOL-4-YL]-ACETYL}-5-NAPHTHALEN-1-YL-1,2,3,6-TETRAHYDRO-PYRIDINE-4-CARBONITRILE
    20336
    FTJ
    ZINC000001484896    		 12 C17 H13 Cl N2 O4 InChI=1S/C17H13ClN2O4/c1-
    10(17(21)22)23-12-3-5-13(
    6-4-12)24-16-9-19-15-8-11
    (18)2-7-14(15)20-16/h2-10
    H,1H3,(H,21,22)/t10-/m1/s
    1;
    ABOOPXYCKNFDNJ-SNVBAGLBSA-N    		 C[C@H](C(=O)O)Oc1ccc(cc1)Oc2cnc3cc(ccc3n
    2)Cl; C[CH](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)c
    c1)C(O)=O; CC(C(=O)O)Oc1ccc(cc1)Oc2cnc3c
    c(ccc3n2)Cl; OC(=O)C(Oc3ccc(Oc2nc1c(cc(c
    c1)Cl)nc2)cc3)C; C[C@@H](Oc1ccc(Oc2cnc3c
    c(Cl)ccc3n2)cc1)C(O)=O    		 (2R)-2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoic acid
    20337
    FTK
    ZINC000103542035    		 2 C12 H9 F3 O3 InChI=1S/C12H9F3O3/c13-12
    (14,15)11(18)7-9(16)6-10(
    17)8-4-2-1-3-5-8/h1-5H,6-
    7H2;
    GWSILFLOKNCPNX-UHFFFAOYSA-N    		 FC(F)(F)C(=O)CC(=O)CC(=O)c1ccccc1; c1ccc
    (cc1)C(=O)CC(=O)CC(=O)C(F)(F)F; O=C(c1cc
    ccc1)CC(=O)CC(=O)C(F)(F)F    		 6,6,6-trifluoro-1-phenylhexane-1,3,5-trione
    20338
    FTL
    CHEMBL27843
    ZINC000013489061    		 1 C30 H23 N5 InChI=1S/C30H23N5/c1-34-2
    1-33-18-27(34)20-35(19-23
    -7-4-6-22(14-23)16-31)26-
    13-12-25(17-32)30(15-26)2
    9-11-5-9-24-8-2-3-10-28(2
    4)29/h2-15,18,21H,19-20H2
    ,1H3;
    IQZCODLAPFPVNS-UHFFFAOYSA-N    		 Cn1cncc1CN(Cc2cccc(c2)C#N)c3ccc(c(c3)c4c
    ccc5c4cccc5)C#N; Cn1cncc1CN(Cc2cccc(c2)C
    #N)c3ccc(C#N)c(c3)c4cccc5ccccc45; N#Cc5c
    (c2c1ccccc1ccc2)cc(N(Cc3cccc(C#N)c3)Cc4c
    ncn4C)cc5    		 4-[(3-CYANO-BENZYL)-(3-METHYL-3H-IMIDAZOL-4-YLMETHYL)-AMINO]-2-NAPHTHALEN-1-YL-BENZONITRILE
    20339
    FTM
    CHEMBL160811
    ZINC000005177774    		 5 C2 H4 F N O InChI=1S/C2H4FNO/c3-1-2(4
    )5/h1H2,(H2,4,5);
    FVTWJXMFYOXOKK-UHFFFAOYSA-N    		 FCC(=O)N; C(C(=O)N)F; NC(=O)CF 2-fluoroacetamide
    20340
    FTN
    CHEMBL487185
    ZINC000000001479    		 21 C17 H16 F3 N O2 InChI=1S/C17H16F3NO2/c1-1
    1(2)23-13-7-5-6-12(10-13)
    21-16(22)14-8-3-4-9-15(14
    )17(18,19)20/h3-11H,1-2H3
    ,(H,21,22);
    PTCGDEVVHUXTMP-UHFFFAOYSA-N    		 CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1;
    CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F    		 N-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide;
    flutolanil;
    N-(3-Isopropoxy-phenyl)-2-trifluoromethylbenzamide
    20341
    FTO
    CHEMBL302004
    ZINC000026179223    		 2 C39 H52 N4 O6 InChI=1S/C39H52N4O6/c1-26
    (2)21-33(37(47)41-32(35(4
    0)45)24-29-19-13-8-14-20-
    29)42-36(46)30(22-27-15-9
    -6-10-16-27)25-34(44)31(2
    3-28-17-11-7-12-18-28)43-
    38(48)49-39(3,4)5/h6-20,2
    6,30-34,44H,21-25H2,1-5H3
    ,(H2,40,45)(H,41,47)(H,42
    ,46)(H,43,48)/t30-,31+,32
    +,33+,34-/m1/s1;
    MURCDOXDAHPNRQ-ZJKZPDEISA-N    		 CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)N)NC(=O)C
    (Cc2ccccc2)CC(C(Cc3ccccc3)NC(=O)OC(C)(C)
    C)O; CC(C)C[C@H](NC(=O)[C@@H](C[C@@H](O)
    [C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)Cc2ccccc
    2)C(=O)N[C@@H](Cc3ccccc3)C(N)=O; CC(C)C[
    C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N)NC(=
    O)[C@H](Cc2ccccc2)C[C@H]([C@H](Cc3ccccc3
    )NC(=O)OC(C)(C)C)O; CC(C)C[CH](NC(=O)[CH
    ](C[CH](O)[CH](Cc1ccccc1)NC(=O)OC(C)(C)C
    )Cc2ccccc2)C(=O)N[CH](Cc3ccccc3)C(N)=O    		 ~{tert}-butyl ~{N}-[(2~{S},3~{R},5~{R})-6-[[(2~{S})-1-[[(2~{S})-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-oxidanyl-6-oxidanylidene-1-phenyl-5-(phenylmethyl)hexan-2-yl]carbamate;
    L-685,458
    20342
    FTP
    DB02254    		 2 C12 H13 F3 N4 O4 P S InChI=1S/C12H14F3N4O4PS/c
    1-7-9(2-3-23-24(20,21)22)
    25-6-19(7)5-8-4-17-11(12(
    13,14)15)18-10(8)16/h4,6H
    ,2-3,5H2,1H3,(H3-,16,17,1
    8,20,21,22)/p-1;
    ZIBIECXVPMYJCV-UHFFFAOYSA-M    		 Cc1c(CCO[P]([O-])([O-])=O)sc[n+]1Cc2cnc(
    nc2N)C(F)(F)F; FC(F)(F)c1nc(c(cn1)C[n+]2
    c(c(sc2)CCOP([O-])([O-])=O)C)N; Cc1c(sc[
    n+]1Cc2cnc(nc2N)C(F)(F)F)CCOP(=O)([O-])[
    O-]    		 3-(4-AMINO-2-TRIFLUOROMETHYL-PYRIMIDIN-5-YLMETHYL)-4-METHYL-5-(2-PHOSPHONATOOXY-ETHYL)-THIAZOL-3-IUM;
    TRIFLUORO-THIAMIN PHOSPHATE
    20343
    FTQ    		 0 C16 H28 Au N4 InChI=1S/2C8H14N2.Au/c2*1
    -3-4-5-10-7-6-9(2)8-10;/h
    2*6-7H,3-5H2,1-2H3;/q2*+1
    ;;
    DHOATHUNKSQARV-UHFFFAOYSA-N    		 CCCCn1cc[n+](c1[Au]c2n(cc[n+]2C)CCCC)C;
    CCCCn1cc[n+](C)c1[Au]c2n(CCCC)cc[n+]2C    		 bis(1-butyl-3-methyl-imidazol-3-ium-2-yl)gold
    20344
    FTR
    CHEMBL559973
    DB03314
    ZINC000000057156    		 0 C11 H11 F N2 O2 InChI=1S/C11H11FN2O2/c12-
    7-1-2-10-8(4-7)6(5-14-10)
    3-9(13)11(15)16/h1-2,4-5,
    9,14H,3,13H2,(H,15,16)/t9
    -/m0/s1;
    INPQIVHQSQUEAJ-VIFPVBQESA-N    		 O=C(O)C(N)Cc2c1cc(F)ccc1nc2; N[CH](Cc1c[
    nH]c2ccc(F)cc12)C(O)=O; c1cc2c(cc1F)c(c[
    nH]2)C[C@@H](C(=O)O)N; N[C@@H](Cc1c[nH]c
    2ccc(F)cc12)C(O)=O; c1cc2c(cc1F)c(c[nH]2
    )CC(C(=O)O)N    		 FLUOROTRYPTOPHANE
    20345
    FTS
    CHEMBL177101
    DB07798
    ZINC000013581899    		 2 C13 H16 F4 N2 O2 S InChI=1S/C13H16F4N2O2S/c1
    4-7-11-5-9-1-2-12(6-10(9)
    8-18-11)22(20,21)19-4-3-1
    3(15,16)17/h1-2,6,11,18-1
    9H,3-5,7-8H2/t11-/m1/s1;
    BBUDQLKRZPRPFD-LLVKDONJSA-N    		 FC[C@H]1Cc2ccc(cc2CN1)[S](=O)(=O)NCCC(F)
    (F)F; c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)CNC
    (C2)CF; c2c1CNC(CF)Cc1ccc2S(=O)(=O)NCCC(
    F)(F)F; c1cc2c(cc1S(=O)(=O)NCCC(F)(F)F)C
    N[C@H](C2)CF; FC[CH]1Cc2ccc(cc2CN1)[S](=
    O)(=O)NCCC(F)(F)F    		 (3R)-3-(FLUOROMETHYL)-N-(3,3,3-TRIFLUOROPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE;
    3(R)-FLUOROMETHYL 7-TRIFLUOROPROPYLSULFONAMIDE 1,2,3,4-TETRAHYDROISOQUINOLINE
    20346
    FTT
    CHEMBL1232858
    DB02767
    ZINC000002039069    		 0 C14 H28 O3 InChI=1S/C14H28O3/c1-2-3-
    4-5-6-7-8-9-10-11-13(15)1
    2-14(16)17/h13,15H,2-12H2
    ,1H3,(H,16,17)/t13-/m1/s1;
    ATRNZOYKSNPPBF-CYBMUJFWSA-N    		 CCCCCCCCCCC[C@@H](O)CC(O)=O; CCCCCCCCCCC
    [CH](O)CC(O)=O; CCCCCCCCCCCC(CC(=O)O)O;
    CCCCCCCCCCC[C@H](CC(=O)O)O; O=C(O)CC(O)C
    CCCCCCCCCC    		 3-HYDROXY-TETRADECANOIC ACID;
    3-HYDROXY-MYRISTIC ACID
    20347
    FTU
    CHEMBL4587788
    ZINC000034441457    		 1 C11 H13 F N4 O4 InChI=1S/C11H13FN4O4/c12-
    4-1-16(10-6(4)9(13)14-3-1
    5-10)11-8(19)7(18)5(2-17)
    20-11/h1,3,5,7-8,11,17-19
    H,2H2,(H2,13,14,15)/t5-,7
    -,8-,11-/m1/s1;
    KRRZKBNCONNKPI-IOSLPCCCSA-N    		 c1c(c2c(ncnc2n1C3C(C(C(O3)CO)O)O)N)F; c1
    c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O
    3)CO)O)O)N)F; Nc1ncnc2n(cc(F)c12)[C@@H]3
    O[C@H](CO)[C@@H](O)[C@H]3O; Nc1ncnc2n(cc
    (F)c12)[CH]3O[CH](CO)[CH](O)[CH]3O    		 5-fluorotubercidin
    20348
    FTV
    CHEMBL2252703
    ZINC000000056614    		 5 C9 H8 Cl2 O3 InChI=1S/C9H8Cl2O3/c1-5(9
    (12)13)14-8-3-2-6(10)4-7(
    8)11/h2-5H,1H3,(H,12,13)/
    t5-/m1/s1;
    MZHCENGPTKEIGP-RXMQYKEDSA-N    		 CC(C(=O)O)Oc1ccc(cc1Cl)Cl; C[C@@H](Oc1cc
    c(Cl)cc1Cl)C(O)=O; C[C@H](C(=O)O)Oc1ccc(
    cc1Cl)Cl; Clc1c(ccc(c1)Cl)OC(C)C(O)=O; C
    [CH](Oc1ccc(Cl)cc1Cl)C(O)=O    		 (2R)-2-(2,4-dichlorophenoxy)propanoic acid
    20349
    FTW
    CHEMBL4548156    		 1 C36 H41 N5 O3 InChI=1S/C36H41N5O3/c1-36
    (2,24-42)38-18-20-41-32-1
    7-19-40(22-27-15-16-33(44
    -3)30-14-7-6-13-29(27)30)
    23-31(32)34(39-41)35(43)3
    7-21-26-11-8-10-25-9-4-5-
    12-28(25)26/h4-16,38,42H,
    17-24H2,1-3H3,(H,37,43);
    MZJWSMMILGDGIP-UHFFFAOYSA-N    		 COc1ccc(CN2CCc3n(CCNC(C)(C)CO)nc(C(=O)NC
    c4cccc5ccccc45)c3C2)c6ccccc16; CC(C)(CO)
    NCCn1c2c(c(n1)C(=O)NCc3cccc4c3cccc4)CN(C
    C2)Cc5ccc(c6c5cccc6)OC    		 5-[(4-methoxynaphthalen-1-yl)methyl]-1-[2-[(2-methyl-1-oxidanyl-propan-2-yl)amino]ethyl]-~{N}-(naphthalen-1-ylmethyl)-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridine-3-carboxamide
    20350
    FTX
    CHEMBL4848137    		 2 C21 H21 Cl N2 O3 InChI=1S/C21H21ClN2O3/c1-
    26-19-9-13-6-7-24(12-25)1
    8(16(13)10-20(19)27-2)8-1
    4-11-23-21-15(14)4-3-5-17
    (21)22/h3-5,9-12,18,23H,6
    -8H2,1-2H3/t18-/m0/s1;
    FTUNSSCAXJNFIZ-SFHVURJKSA-N    		 COc1cc2c(cc1OC)[C@@H](N(CC2)C=O)Cc3c[nH]
    c4c3cccc4Cl; COc1cc2c(cc1OC)C(N(CC2)C=O)
    Cc3c[nH]c4c3cccc4Cl; COc1cc2CCN(C=O)[CH]
    (Cc3c[nH]c4c(Cl)cccc34)c2cc1OC; COc1cc2C
    CN(C=O)[C@@H](Cc3c[nH]c4c(Cl)cccc34)c2cc
    1OC    		 (1S)-1-[(7-chloranyl-1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbaldehyde
    20351
    FTY
    CHEMBL1232859
    ZINC000008378980    		 0 C10 H12 F2 N O5 P InChI=1S/C10H12F2NO5P/c11
    -10(12,19(16,17)18)7-3-1-
    6(2-4-7)5-8(13)9(14)15/h1
    -4,8H,5,13H2,(H,14,15)(H2
    ,16,17,18)/t8-/m0/s1;
    HRDUMKHDIFUQGB-QMMMGPOBSA-N    		 N[C@@H](Cc1ccc(cc1)C(F)(F)[P](O)(O)=O)C(
    O)=O; c1cc(ccc1CC(C(=O)O)N)C(F)(F)P(=O)(
    O)O; c1cc(ccc1C[C@@H](C(=O)O)N)C(F)(F)P(
    =O)(O)O; N[CH](Cc1ccc(cc1)C(F)(F)[P](O)(
    O)=O)C(O)=O; FC(F)(c1ccc(cc1)CC(N)C(=O)O
    )P(=O)(O)O    		 DEOXY-DIFLUOROMETHELENE-PHOSPHOTYROSINE
    20352
    FTZ
    CHEMBL1354522    		 1 C13 H10 Cl F N4 O InChI=1S/C13H10ClFN4O/c14
    -9-3-1-4-10(15)8(9)7-16-1
    3-17-12(18-19-13)11-5-2-6
    -20-11/h1-6H,7H2,(H2,16,1
    7,18,19);
    AHOHWELPUXLPOF-UHFFFAOYSA-N    		 c1cc(c(c(c1)Cl)CNc2[nH]nc(n2)c3ccco3)F;
    Fc1cccc(Cl)c1CNc2[nH]nc(n2)c3occc3; Fc1c
    ccc(Cl)c1CNc2nc(nn2)c3occc3    		 N-(2-chloro-6-fluorobenzyl)-5-(furan-2-yl)-2H-1,2,4-triazol-3-amine
    20353
    FU0
    ZINC000098208905    		 1 C7 H8 O4 InChI=1S/C7H8O4/c8-7(9)11
    -5-3-6-2-1-4-10-6/h1-2,4H
    ,3,5H2,(H,8,9);
    SFUJACCQACPZEZ-UHFFFAOYSA-N    		 OC(=O)OCCc1occc1; c1cc(oc1)CCOC(=O)O; O=
    C(OCCc1occc1)O    		 2-(furan-2-yl)ethyl hydrogen carbonate
    20354
    FU1
    CHEMBL276521
    ZINC000003593622    		 2 C4 H8 O InChI=1S/C4H8O/c1-2-4-5-3
    -1/h1-4H2;
    WYURNTSHIVDZCO-UHFFFAOYSA-N    		 O1CCCC1; C1CCOC1 tetrahydrofuran
    20355
    FU2
    CHEMBL189362
    DB16856
    ZINC000003861345    		 19 C5 H4 O2 InChI=1S/C5H4O2/c6-4-5-2-
    1-3-7-5/h1-4H;
    HYBBIBNJHNGZAN-UHFFFAOYSA-N    		 c1cc(oc1)C=O; O=Cc1occc1 FURFURAL
    20356
    FU3
    CHEMBL1738803
    ZINC000043197651    		 2 C21 H22 Cl2 F3 N5 O2 InChI=1S/C21H22Cl2F3N5O2/
    c22-11-7-14(23)17(16(8-11
    )33-6-2-5-21(24,25)26)18-
    13-9-31(10-15(13)29-19(27
    )30-18)20(32)28-12-3-1-4-
    12/h7-8,12H,1-6,9-10H2,(H
    ,28,32)(H2,27,29,30);
    OQTGWGQVJCWDDT-UHFFFAOYSA-N    		 FC(F)(F)CCCOc4cc(Cl)cc(Cl)c4c1nc(nc3c1CN
    (C(=O)NC2CCC2)C3)N; Nc1nc2CN(Cc2c(n1)c3c
    (Cl)cc(Cl)cc3OCCCC(F)(F)F)C(=O)NC4CCC4;
    c1c(cc(c(c1OCCCC(F)(F)F)c2c3c(nc(n2)N)CN
    (C3)C(=O)NC4CCC4)Cl)Cl    		 2-amino-N-cyclobutyl-4-[2,4-dichloro-6-(4,4,4-trifluorobutoxy)phenyl]-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
    20357
    FU4    		 0 C6 H12 O4 InChI=1S/C6H12O4/c1-3-5(8
    )6(9)4(7)2-10-3/h3-9H,2H2
    ,1H3/t3-,4+,5+,6-/m0/s1;
    KBVSUNBCTPQWJL-KCDKBNATSA-N    		 C[CH]1OC[CH](O)[CH](O)[CH]1O; CC1C(C(C(C
    O1)O)O)O; C[C@H]1[C@H]([C@H]([C@@H](CO1)
    O)O)O; OC1C(OCC(O)C1O)C; C[C@@H]1OC[C@@H
    ](O)[C@H](O)[C@@H]1O    		 2,6-ANHYDRO-1-DEOXY-D-GALACTITOL
    20358
    FU5
    CHEMBL1738804
    ZINC000066156457    		 2 C15 H15 Cl F3 N3 O InChI=1S/C15H15ClF3N3O/c1
    -9-8-11(22-14(20)21-9)13-
    10(16)4-2-5-12(13)23-7-3-
    6-15(17,18)19/h2,4-5,8H,3
    ,6-7H2,1H3,(H2,20,21,22);
    SHQYMCWXQPPEMC-UHFFFAOYSA-N    		 Cc1cc(nc(n1)N)c2c(cccc2Cl)OCCCC(F)(F)F;
    Cc1cc(nc(N)n1)c2c(Cl)cccc2OCCCC(F)(F)F;
    FC(F)(F)CCCOc1c(c(Cl)ccc1)c2nc(nc(c2)C)N    		 4-[2-chloro-6-(4,4,4-trifluorobutoxy)phenyl]-6-methylpyrimidin-2-amine
    20359
    FU6
    CHEMBL4764965    		 1 C20 H16 N4 O2 InChI=1S/C20H16N4O2/c1-3-
    9-21-20(26)14-10-13(11-15
    (12-14)22-18(25)4-2)19-16
    -7-5-6-8-17(16)23-24-19/h
    1,4-8,10-12H,2,9H2,(H,21,
    26)(H,22,25)(H,23,24);
    QLVGPPRZJNJOLD-UHFFFAOYSA-N    		 C=CC(=O)Nc1cc(cc(c1)c2n[nH]c3ccccc23)C(=
    O)NCC#C; C=CC(=O)Nc1cc(cc(c1)C(=O)NCC#C)
    c2c3ccccc3[nH]n2    		 3-(1H-indazol-3-yl)-5-(prop-2-enoylamino)-N-prop-2-ynyl-benzamide
    20360
    FU7
    CHEMBL1738805
    ZINC000066165974    		 2 C21 H21 Cl2 F2 N7 O2 InChI=1S/C21H21Cl2F2N7O2/
    c1-21(24,25)11-27-20(33)3
    1-9-13-15(10-31)29-19(26)
    30-18(13)17-14(23)7-12(22
    )8-16(17)34-6-5-32-4-2-3-
    28-32/h2-4,7-8H,5-6,9-11H
    2,1H3,(H,27,33)(H2,26,29,
    30);
    RIVRSBWWXQQZLY-UHFFFAOYSA-N    		 CC(F)(F)CNC(=O)N1Cc2nc(N)nc(c2C1)c3c(Cl)
    cc(Cl)cc3OCCn4cccn4; FC(F)(C)CNC(=O)N4Cc
    1c(nc(nc1c3c(OCCn2nccc2)cc(Cl)cc3Cl)N)C4
    ; CC(CNC(=O)N1Cc2c(nc(nc2c3c(cc(cc3Cl)Cl
    )OCCn4cccn4)N)C1)(F)F    		 2-amino-4-{2,4-dichloro-6-[2-(1H-pyrazol-1-yl)ethoxy]phenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
    20361
    FU8    		 2 C7 H4 Fe2 N2 O3 S2 InChI=1S/C2H4S2.2CN.3CO.2
    Fe/c3-1-2-4;5*1-2;;/h1-2H
    2;;;;;;;/q;;;;2*+1;;;
    MZEMAHMYMVUPIF-UHFFFAOYSA-N    		 C1C[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])
    (C#N)C#[O+]; O=C1[Fe](SCCS[Fe]1(C#N)C#[O
    +])(C#N)C#[O+]    		 dicarbonyl[bis(cyanide-kappaC)]-mu-(ethanethiolatato-1kappaS:2kappaS)-mu-(ox omethylidene)diiron(2+)
    20362
    FU9
    CHEMBL1682297
    ZINC000066102247    		 1 C22 H16 F3 N5 O2 InChI=1S/C22H16F3N5O2/c23
    -22(24,25)12-2-1-3-14(9-1
    2)27-19-18-16(10-26-21(30
    -18)28-13-5-6-13)15-7-4-1
    1(20(31)32)8-17(15)29-19/
    h1-4,7-10,13H,5-6H2,(H,27
    ,29)(H,31,32)(H,26,28,30);
    UXZATHOFDZQOMY-UHFFFAOYSA-N    		 c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc
    5n2)C(=O)O)C(F)(F)F; FC(F)(F)c1cc(ccc1)N
    c5nc2cc(C(=O)O)ccc2c3c5nc(nc3)NC4CC4; OC
    (=O)c1ccc2c(c1)nc(Nc3cccc(c3)C(F)(F)F)c4
    nc(NC5CC5)ncc24    		 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid;
    CX-5279
    20363
    FUA
    CHEMBL374975
    DB02703
    ZINC000008143796    		 58 C31 H48 O6 InChI=1S/C31H48O6/c1-17(2
    )9-8-10-20(28(35)36)26-22
    -15-24(34)27-29(5)13-12-2
    3(33)18(3)21(29)11-14-30(
    27,6)31(22,7)16-25(26)37-
    19(4)32/h9,18,21-25,27,33
    -34H,8,10-16H2,1-7H3,(H,3
    5,36)/b26-20-/t18-,21-,22
    -,23+,24+,25-,27-,29-,30-
    ,31-/m0/s1;
    IECPWNUMDGFDKC-MZJAQBGESA-N    		 C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]
    3(C)[C@H]2[C@H](O)C[C@H]4\C([C@H](C[C@]3
    4C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O; C[CH]1[
    CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2[CH](O
    )C[CH]4C([CH](C[C]34C)OC(C)=O)=C(CCC=C(C
    )C)C(O)=O; CC1C2CCC3(C(C2(CCC1O)C)C(CC4C
    3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C
    ; C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C
    @H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/
    C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C; O
    =C(O)/C(=C2/C1CC(O)C3C(C1(CC2OC(=O)C)C)(
    C)CCC4C(C)C(O)CCC34C)CC\C=C(/C)C    		 FUSIDIC ACID
    20364
    FUB
    ZINC000004097027    		 206 C5 H10 O5 InChI=1S/C5H10O5/c6-1-2-3
    (7)4(8)5(9)10-2/h2-9H,1H2
    /t2-,3-,4+,5-/m0/s1;
    HMFHBZSHGGEWLO-KLVWXMOXSA-N    		 OC[C@@H]1O[C@H](O)[C@H](O)[C@H]1O; C([C@
    H]1[C@@H]([C@H]([C@H](O1)O)O)O)O; C(C1C(
    C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH](O)[C
    H]1O; OC1C(OC(O)C1O)CO    		 beta-L-arabinofuranose;
    beta-L-arabinose;
    L-arabinose;
    arabinose
    20365
    FUC
    CHEMBL1232862
    DB04473
    ZINC000001532814    		 1605 C6 H12 O5 InChI=1S/C6H12O5/c1-2-3(7
    )4(8)5(9)6(10)11-2/h2-10H
    ,1H3/t2-,3+,4+,5-,6+/m0/s
    1;
    SHZGCJCMOBCMKK-SXUWKVJYSA-N    		 C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H
    ]1O; OC1C(O)C(OC(O)C1O)C; CC1C(C(C(C(O1)
    O)O)O)O; C[C@H]1[C@H]([C@H]([C@@H]([C@@H
    ](O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](
    O)[CH]1O    		 alpha-L-fucopyranose;
    alpha-L-fucose;
    6-deoxy-alpha-L-galactopyranose;
    L-fucose;
    fucose
    20366
    FUD
    CHEMBL1232863
    ZINC000001532049    		 37 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3,5-
    9,11-12H,1-2H2/t3-,5-,6-/
    m1/s1;
    BJHIKXHVCXFQLS-UYFOZJQFSA-N    		 OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO; O=C
    (C(O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O)O)
    O)O; C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)
    O; OC[CH](O)[CH](O)[CH](O)C(=O)CO    		 D-fructose
    20367
    FUE
    CHEMBL4175992    		 1 C32 H36 F N5 O2 InChI=1S/C32H36FN5O2/c1-2
    1-16-36(26(15-34-21)18-37
    -17-24-6-4-5-7-27(24)31(3
    7)40)19-29(39)38-20-32(2,
    3)30-28(38)13-23(14-35-30
    )12-22-8-10-25(33)11-9-22
    /h4-11,13-14,21,26,34H,12
    ,15-20H2,1-3H3/t21-,26-/m
    1/s1;
    XYDGOXJJDFKAAT-QFQXNSOFSA-N    		 CC1CN(C(CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(
    c5c4cc(cn5)Cc6ccc(cc6)F)(C)C; C[C@@H]1CN
    ([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c
    5c4cc(cn5)Cc6ccc(cc6)F)(C)C; C[C@@H]1CN(
    CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)
    [C@H](CN1)CN5Cc6ccccc6C5=O; C[CH]1CN(CC(
    =O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[CH
    ](CN1)CN5Cc6ccccc6C5=O    		 2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one
    20368
    FUF
    ZINC000006499605    		 7 C6 H11 F O4 InChI=1S/C6H11FO4/c1-2-4(
    8)5(9)3(7)6(10)11-2/h2-6,
    8-10H,1H3/t2-,3-,4+,5-,6-
    /m0/s1;
    IRKXGKIPOMIQOD-QYESYBIKSA-N    		 C[C@@H]1O[C@H](O)[C@@H](F)[C@H](O)[C@@H]
    1O; C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O
    )F)O)O; FC1C(O)C(O)C(OC1O)C; C[CH]1O[CH]
    (O)[CH](F)[CH](O)[CH]1O; CC1C(C(C(C(O1)O
    )F)O)O    		 2-deoxy-2-fluoro-beta-L-fucopyranose;
    2,6-DIDEOXY-2-FLUORO-BETA-L-LYXO-HEXOPYRANOSE;
    2,6-dideoxy-2-fluoro-beta-L-galactopyranose;
    2-deoxy-2-fluoro-beta-L-fucose;
    2-deoxy-2-fluoro-L-fucose;
    2-deoxy-2-fluoro-fucose
    20369
    FUG
    ZINC000015295075    		 3 C26 H36 O7 InChI=1S/C26H36O7/c1-18(2
    )14-15-20-26(4,33-20)24-2
    3(31-5)19(16-17-25(24,3)3
    0)32-22(29)13-11-9-7-6-8-
    10-12-21(27)28/h6-14,19-2
    0,23-24,30H,15-17H2,1-5H3
    ,(H,27,28)/b8-6+,9-7+,12-
    10+,13-11+/t19-,20-,23-,2
    4+,25-,26+/m1/s1;
    XXVWUXWNPOXVQB-ZFSLZHKLSA-N    		 CC(=CCC1C(O1)(C)C2C(C(CCC2(C)O)OC(=O)C=C
    C=CC=CC=CC(=O)O)OC)C; CC(=CC[C@@H]1[C@@]
    (O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)
    OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC)C; CO[CH
    ]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C
    (C)C)OC(=O)C=CC=CC=CC=CC(O)=O; CO[C@@H]1
    [C@@H](CC[C@@](C)(O)[C@H]1[C@@]2(C)O[C@@
    H]2CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=
    O; O=C(O)\C=C\C=C\C=C\C=C\C(=O)OC2CCC(O)
    (C(C1(OC1C/C=C(/C)C)C)C2OC)C    		 FUMAGILLIN
    20370
    FUH
    ZINC000584905583    		 1 C20 H33 N3 O16 P2 InChI=1S/C20H33N3O16P2/c1
    -8-6-23(20(30)22-18(8)29)
    14-5-11(25)12(37-14)7-35-
    40(31,32)39-41(33,34)38-1
    9-17(28)15(16(27)10(3)36-
    19)21-13(26)4-9(2)24/h6,9
    -12,14-17,19,24-25,27-28H
    ,4-5,7H2,1-3H3,(H,21,26)(
    H,31,32)(H,33,34)(H,22,29
    ,30)/t9-,10-,11+,12-,14-,
    15+,16+,17-,19-/m1/s1;
    SFDGKYQEVYNQBU-NKKVZDNESA-N    		 C[C@@H](O)CC(=O)N[C@H]1[C@@H](O)[C@@H](C
    )O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[
    C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@@H]
    1O; C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1
    )OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H
    ](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H
    ](C)O)O; CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O
    )OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=
    O)CC(C)O)O; C[CH](O)CC(=O)N[CH]1[CH](O)[
    CH](C)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]
    2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH]1O
    20371
    FUI
    CHEMBL379761
    ZINC000014976923    		 1 C20 H21 Cl N4 O2 InChI=1S/C20H21ClN4O2/c1-
    13(2)18-17(23-20(27)22-15
    -11-9-14(21)10-12-15)19(2
    6)25(24(18)3)16-7-5-4-6-8
    -16/h4-13H,1-3H3,(H2,22,2
    3,27);
    PAEBEUZTAPIOIO-UHFFFAOYSA-N    		 Clc1ccc(cc1)NC(=O)NC=1C(=O)N(c2ccccc2)N(
    C)C=1C(C)C; CC(C)C1=C(C(=O)N(N1C)c2ccccc
    2)NC(=O)Nc3ccc(cc3)Cl; CC(C)C1=C(NC(=O)N
    c2ccc(Cl)cc2)C(=O)N(N1C)c3ccccc3    		 N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea
    20372
    FUJ
    CHEMBL4460704
    ZINC000001872056    		 2 C11 H11 O6 P InChI=1S/C11H11O6P/c1-16-
    8-2-3-9-7(6-18(13,14)15)4
    -11(12)17-10(9)5-8/h2-5H,
    6H2,1H3,(H2,13,14,15);
    HFSBVOLOSSLWNW-UHFFFAOYSA-N    		 COc1ccc2c(c1)OC(C=C2CP(O)(O)=O)=O; COc1c
    cc2c(c1)OC(=O)C=C2CP(=O)(O)O; COc1ccc2C(
    =CC(=O)Oc2c1)C[P](O)(O)=O    		 [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
    20373
    FUK
    CHEMBL4170539    		 2 C30 H42 F N5 O3 InChI=1S/C30H42FN5O3/c1-1
    9-13-34(25(12-32-19)14-35
    -20(2)16-39-17-21(35)3)15
    -27(37)36-18-30(4,5)29-26
    (36)10-23(11-33-29)28(38)
    22-6-8-24(31)9-7-22/h6-11
    ,19-21,25,28,32,38H,12-18
    H2,1-5H3/t19-,20-,21-,25-
    ,28+/m1/s1;
    MVQVBQBVVYPBCQ-DTRJGPSISA-N    		 CC1CN(C(CN1)CN2C(COCC2C)C)CC(=O)N3CC(c4c
    3cc(cn4)C(c5ccc(cc5)F)O)(C)C; C[C@@H]1CN
    ([C@H](CN1)CN2[C@@H](COC[C@H]2C)C)CC(=O)
    N3CC(c4c3cc(cn4)[C@H](c5ccc(cc5)F)O)(C)C
    ; C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)[C
    H](O)c4ccc(F)cc4)[CH](CN1)CN5[CH](C)COC[
    CH]5C; C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(
    cc23)[C@@H](O)c4ccc(F)cc4)[C@H](CN1)CN5[
    C@H](C)COC[C@H]5C    		 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone
    20374
    FUL
    CHEMBL1230861
    DB03283
    ZINC000001532813    		 246 C6 H12 O5 InChI=1S/C6H12O5/c1-2-3(7
    )4(8)5(9)6(10)11-2/h2-10H
    ,1H3/t2-,3+,4+,5-,6-/m0/s
    1;
    SHZGCJCMOBCMKK-KGJVWPDLSA-N    		 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O
    )O; OC1C(O)C(OC(O)C1O)C; C[C@@H]1O[C@H](
    O)[C@@H](O)[C@H](O)[C@@H]1O; CC1C(C(C(C(
    O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](O)
    [CH]1O    		 beta-L-fucopyranose;
    beta-L-fucose;
    6-deoxy-beta-L-galactopyranose;
    L-fucose;
    fucose;
    6-DEOXY-BETA-L-GALACTOSE
    20375
    FUM
    CHEMBL503160
    DB01677
    ZINC000003860193    		 164 C4 H4 O4 InChI=1S/C4H4O4/c5-3(6)1-
    2-4(7)8/h1-2H,(H,5,6)(H,7
    ,8)/b2-1+;
    VZCYOOQTPOCHFL-OWOJBTEDSA-N    		 C(=CC(=O)O)C(=O)O; C(=C/C(=O)O)\C(=O)O;
    OC(=O)\C=C\C(O)=O; O=C(O)\C=C\C(=O)O; OC
    (=O)C=CC(O)=O    		 FUMARIC ACID
    20376
    FUN
    CHEMBL35
    DB00695
    ZINC000000035804    		 13 C12 H11 Cl N2 O5 S InChI=1S/C12H11ClN2O5S/c1
    3-9-5-10(15-6-7-2-1-3-20-
    7)8(12(16)17)4-11(9)21(14
    ,18)19/h1-5,15H,6H2,(H,16
    ,17)(H2,14,18,19);
    ZZUFCTLCJUWOSV-UHFFFAOYSA-N    		 O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc
    2; c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)
    N)Cl; N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc
    2)cc1Cl    		 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID;
    Furosemide
    20377
    FUO
    CHEMBL5088088    		 4 C31 H36 N4 O3 InChI=1S/C31H36N4O3/c36-3
    0(33-22-25-4-2-1-3-5-25)2
    1-28-11-8-27(23-32-28)26-
    9-12-29(13-10-26)38-19-18
    -34-14-16-35(17-15-34)31(
    37)20-24-6-7-24/h1-5,8-13
    ,23-24H,6-7,14-22H2,(H,33
    ,36);
    ZSFOXUGASROPSO-UHFFFAOYSA-N    		 O=C(Cc1ccc(cn1)c2ccc(OCCN3CCN(CC3)C(=O)C
    C4CC4)cc2)NCc5ccccc5; c1ccc(cc1)CNC(=O)C
    c2ccc(cn2)c3ccc(cc3)OCCN4CCN(CC4)C(=O)CC
    5CC5    		 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
    20378
    FUP
    DB04068
    ZINC000012504122    		 1 C9 H13 F N2 O10 P2 InChI=1S/C9H13FN2O10P2/c1
    0-5-3-8(12-2-1-7(13)11-9(
    12)14)21-6(5)4-20-24(18,1
    9)22-23(15,16)17/h1-2,5-6
    ,8H,3-4H2,(H,18,19)(H,11,
    13,14)(H2,15,16,17)/t5-,6
    +,8+/m0/s1;
    WLQBZMZTRNPUDL-SHYZEUOFSA-N    		 C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O
    )(O)O)F; C1[C@@H]([C@H](O[C@H]1N2C=CC(=O
    )NC2=O)CO[P@](=O)(O)OP(=O)(O)O)F; O[P](O
    )(=O)O[P@](O)(=O)OC[C@H]1O[C@H](C[C@@H]1
    F)N2C=CC(=O)NC2=O; O=P(O)(O)OP(=O)(O)OCC
    2OC(N1C(=O)NC(=O)C=C1)CC2F; O[P](O)(=O)O
    [P](O)(=O)OC[CH]1O[CH](C[CH]1F)N2C=CC(=O
    )NC2=O    		 2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'-DIPHOSPHATE;
    FUDP
    20379
    FUQ    		 13 H20 Mo5 O25 InChI=1S/5Mo.20H2O.5O/h;;
    ;;;20*1H2;;;;;/q5*+4;;;;;
    ;;;;;;;;;;;;;;;;;;;;/p-20;
    KKTGFJKWMBVMER-UHFFFAOYSA-A    		 O[Mo]1(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)
    (O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)
    (O)O1; O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1
    )(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)
    (O)O)(O)(O)O    		 Mo5 Cluster
    20380
    FUR
    ZINC000033821307    		 4 C8 H5 N3 O5 InChI=1S/C8H5N3O5/c12-8-1
    0(3-4-15-8)9-5-6-1-2-7(16
    -6)11(13)14/h1-5H/b9-5+;
    OEJYWOUVKXLNIN-WEVVVXLNSA-N    		 [O-][N+](=O)c1oc(cc1)C=NN2C=COC2=O; O=C2
    OC=CN2/N=C/c1oc([N+]([O-])=O)cc1; [O-][N
    +](=O)c1oc(cc1)\C=N\N2C=COC2=O; c1cc(oc1
    C=NN2C=COC2=O)[N+](=O)[O-]    		 Furazolidone
    20381
    FUS
    CHEMBL355001
    ZINC000238809258    		 1 H4 N2 O2 S InChI=1S/H4N2O2S/c1-5(2,3
    )4/h(H4,1,2,3,4);
    NVBFHJWHLNUMCV-UHFFFAOYSA-N    		 N[S](N)(=O)=O; NS(=O)(=O)N sulfuric diamide
    20382
    FUU
    CHEMBL4576082
    ZINC000095920723    		 2 C16 H14 N4 O6 InChI=1S/C16H14N4O6/c21-1
    3(22)9-25-11-4-1-3-10(7-1
    1)8-17-15(23)18-16-20-19-
    14(26-16)12-5-2-6-24-12/h
    1-7H,8-9H2,(H,21,22)(H2,1
    7,18,20,23);
    COAUEHYQQBGZLC-UHFFFAOYSA-N    		 O=C(Nc1nnc(o1)c2occc2)NCc3cccc(OCC(=O)O)
    c3; OC(=O)COc1cccc(CNC(=O)Nc2oc(nn2)c3oc
    cc3)c1; c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nn
    c(o2)c3ccco3    		 2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid
    20383
    FUV    		 1 C23 H28 Cl N3 O7 InChI=1S/C23H28ClN3O7/c24
    -12-5-6-15-13(11-12)21(25
    -14-3-1-2-4-16(14)33-15)2
    6-7-9-27(10-8-26)22-19(30
    )17(28)18(29)20(34-22)23(
    31)32/h1-2,5-6,11,14,16-2
    0,22,28-30H,3-4,7-10H2,(H
    ,31,32)/t14-,16-,17+,18+,
    19-,20+,22-/m1/s1;
    OXNRDDVCZKYHOL-IBISMJPWSA-N    		 c1cc2c(cc1Cl)C(=N[C@@H]3CC=CC[C@H]3O2)N4
    CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](
    O5)C(=O)O)O)O)O; c1cc2c(cc1Cl)C(=NC3CC=C
    CC3O2)N4CCN(CC4)C5C(C(C(C(O5)C(=O)O)O)O)
    O; O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O
    )N2CCN(CC2)C3=N[CH]4CC=CC[CH]4Oc5ccc(Cl)
    cc35; O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C
    @H]1O)C(O)=O)N2CCN(CC2)C3=N[C@@H]4CC=CC[
    C@H]4Oc5ccc(Cl)cc35; C(C5C(C(C(C(N1CCN(C
    C1)C=4c2c(ccc(c2)Cl)OC3C(CC=CC3)N=4)O5)O
    )O)O)(=O)O    		 (5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine
    20384
    FUW    		 1 C26 H34 O3 InChI=1S/C26H34O3/c1-5-21
    (13-14-22-17-24(27)18-25(
    28)19(22)2)23-12-9-11-20(
    16-23)10-7-6-8-15-26(3,4)
    29/h9,11-14,16,24-25,27-2
    9H,2,5,7,10,15,17-18H2,1,
    3-4H3/b21-13+,22-14-/t24-
    ,25-/m0/s1;
    OLHIEYMTIUZOBO-FNSLBOAPSA-N    		 CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c
    2cccc(c2)CCC#CCC(C)(C)O; CC\C(=C/C=C1/C[
    C@@H](O)C[C@H](O)C1=C)c2cccc(CCC#CCC(C)(
    C)O)c2; CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c
    2cccc(CCC#CCC(C)(C)O)c2; CCC(=CC=C1CC(CC
    (C1=C)O)O)c2cccc(c2)CCC#CCC(C)(C)O    		 (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol
    20385
    FUX
    CHEMBL185885
    DB12298
    ZINC000000900788    		 3 C6 H6 O3 InChI=1S/C6H6O3/c7-3-5-1-
    2-6(4-8)9-5/h1-3,8H,4H2;
    NOEGNKMFWQHSLB-UHFFFAOYSA-N    		 OCc1oc(C=O)cc1; c1cc(oc1CO)C=O; O=Cc1oc(
    cc1)CO    		 5-HYDROXYMETHYL-FURFURAL
    20386
    FUY
    ZINC000058631708    		 2 C6 H12 N3 O4 InChI=1S/C6H12N3O4/c1-2-3
    (10)4(11)5(12)6(13-2)8-9-
    7/h2-7,10-12H,1H3/q+1/t2-
    ,3+,4+,5-,6-/m0/s1;
    UVVVIJNFFIMQDY-KGJVWPDLSA-N    		 C[C@@H]1O[C@H](N=[N+]=N)[C@@H](O)[C@H](O
    )[C@@H]1O; C[CH]1O[CH](N=[N+]=N)[CH](O)[
    CH](O)[CH]1O; [N@H]=[N+]=N/C1OC(C(O)C(O)
    C1O)C; CC1C(C(C(C(O1)N=[N+]=N)O)O)O; C[C
    @H]1[C@H]([C@H]([C@@H]([C@H](O1)N=[N+]=N
    )O)O)O    		 beta-L-fucosyl-azide;
    1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]triaza-1,2-dien-2-ium;
    IMINO-[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYL-OXAN-2-YL]IMINO-AZANIUM
    20387
    FUZ
    CHEMBL1492146
    ZINC000000113222    		 5 C12 H11 N O3 InChI=1S/C12H11NO3/c14-12
    (15)10-5-1-2-6-11(10)13-8
    -9-4-3-7-16-9/h1-7,13H,8H
    2,(H,14,15);
    CKOPWCOBXHDAOZ-UHFFFAOYSA-N    		 OC(=O)c1ccccc1NCc2occc2; O=C(O)c2c(NCc1o
    ccc1)cccc2; c1ccc(c(c1)C(=O)O)NCc2ccco2    		 2-[(furan-2-ylmethyl)amino]benzoic acid
    20388
    FV0
    ZINC000098208906    		 0 C14 H24 N2 O InChI=1S/C14H24N2O/c1-11(
    2)9-16-10-14(17)13(15)8-1
    2-6-4-3-5-7-12/h3-7,11,13
    -14,16-17H,8-10,15H2,1-2H
    3/t13-,14+/m0/s1;
    RHCZPSYTFNEZBK-UONOGXRCSA-N    		 CC(C)CNC[C@@H](O)[C@@H](N)Cc1ccccc1; OC(
    C(N)Cc1ccccc1)CNCC(C)C; CC(C)CNC[C@H]([C
    @H](Cc1ccccc1)N)O; CC(C)CNCC(C(Cc1ccccc1
    )N)O; CC(C)CNC[CH](O)[CH](N)Cc1ccccc1    		 (2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol
    20389
    FV1    		 1 C3 H8 O7 P V InChI=1S/C3H7O4P.2H2O.O.V
    /c1-2-3(7-2)8(4,5)6;;;;/h
    2-3H,1H3,(H2,4,5,6);2*1H2
    ;;/q;;;;+3/p-3/t2-,3+;;;;
    /m0..../s1;
    NKJNPQRWDUSUDP-VKZMHLLXSA-K    		 C[CH]1O[CH]1[P](O)(=O)O[V](O)(O)=O; O=[V
    ](OP(=O)(O)C1OC1C)(O)O; C[C@H]1[C@H](O1)
    [P@](=O)(O)O[V](=O)(O)O; C[C@@H]1O[C@@H]
    1[P](O)(=O)O[V](O)(O)=O; CC1C(O1)P(=O)(O
    )O[V](=O)(O)O    		 dihydroxy{[(2R,3S)-3-methyloxiran-2-yl]phosphonato-kappaO}oxovanadium
    20390
    FV2    		 1 Mo8 O30 InChI=1S/8Mo.18H2O.12O/h;
    ;;;;;;;18*1H2;;;;;;;;;;;;
    /q2*+1;2*+2;4*+3;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;/p-1
    8;
    OYDJOMQLWBZCKT-UHFFFAOYSA-A    		 [O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2
    [Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O
    2)(O6)([O])[O])([O])([O])[O])[O])([O])([
    O])[O])([O])[O])[O])([O])([O])[O])([O])[
    O]; O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.
    O1[Mo]O[Mo]23O[Mo]O[Mo]45O[Mo](O[Mo](O[M
    o]1O2)O3)O[Mo](O4)O5    		 Mo8 cluster
    20391
    FV3    		 8 C18 H32 O3 InChI=1S/C18H32O3/c1-15(2
    )7-5-8-16(3)9-6-10-17(4)1
    1-12-21-14-18(20)13-19/h7
    ,9,11,18-20H,5-6,8,10,12-
    14H2,1-4H3/b16-9+,17-11+/
    t18-/m0/s1;
    VGIZXGYRSPTVQF-RNKQFFRGSA-N    		 CC(=CCC/C(=C/CC/C(=C/COC[C@H](CO)O)/C)/C
    )C; CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO;
    CC(C)=CCCC(/C)=C/CCC(/C)=C/COC[C@@H](O)
    CO; CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C    		 (2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
    20392
    FV4
    CHEMBL4218552    		 1 C20 H22 Cl F N4 InChI=1S/C20H22ClFN4/c1-1
    3-9-15(10-14(2)19(13)22)1
    2-26-18-11-16(21)3-4-17(1
    8)24-20(26)25-7-5-23-6-8-
    25/h3-4,9-11,23H,5-8,12H2
    ,1-2H3;
    HQRYJQRNCCMWFK-UHFFFAOYSA-N    		 Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)C
    l; n3c1ccc(cc1n(Cc2cc(c(c(C)c2)F)C)c3N4C
    CNCC4)Cl; Cc1cc(Cn2c3cc(Cl)ccc3nc2N4CCNC
    C4)cc(C)c1F    		 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
    20393
    FV5    		 3 C23 H40 N4 O10 S2 InChI=1S/C23H40N4O10S2/c1
    -14(2)10-17(20(29)25-18(2
    1(30)39(34,35)36)11-15-4-
    7-24-19(15)28)26-22(31)37
    -16-12-23(13-16)5-8-27(9-
    6-23)38(3,32)33/h14-18,21
    ,30H,4-13H2,1-3H3,(H,24,2
    8)(H,25,29)(H,26,31)(H,34
    ,35,36)/t15-,17-,18-,21+/
    m0/s1;
    DXHKTWBJEAVWSD-QUJKESNLSA-N    		 CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)[S](C)(=
    O)=O)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)
    [S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O
    )C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)
    S(=O)(=O)C; CC(C)C[C@H](NC(=O)OC1CC2(CCN
    (CC2)[S](C)(=O)=O)C1)C(=O)N[C@@H](C[C@@H
    ]3CCNC3=O)[C@H](O)[S](O)(=O)=O; CC(C)C[C
    @@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](
    O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=
    O)(=O)C; O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=
    O)OC1CC2(CCN(CC2)S(C)(=O)=O)C1)C(O)S(=O)
    (=O)O    		 (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    20394
    FV7
    CHEMBL4214176    		 1 C26 H25 Cl2 F N4 InChI=1S/C26H25Cl2FN4/c1-
    16-11-18(12-17(2)24(16)29
    )15-33-23-14-19(27)13-21(
    20-5-3-4-6-22(20)28)25(23
    )31-26(33)32-9-7-30-8-10-
    32/h3-6,11-14,30H,7-10,15
    H2,1-2H3;
    YIYWIIQFTVKZTC-UHFFFAOYSA-N    		 Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)
    c5ccccc5Cl)Cl; n4c2c(c1ccccc1Cl)cc(cc2n(
    Cc3cc(C)c(F)c(c3)C)c4N5CCNCC5)Cl; Cc1cc(
    Cn2c3cc(Cl)cc(c4ccccc4Cl)c3nc2N5CCNCC5)c
    c(C)c1F    		 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
    20395
    FV8    		 3 C16 H18 N4 O5 InChI=1S/C16H18N4O5/c1-9-
    13(16(23)20(24)6-5-10-7-1
    7-8-18-10)19-15(25-9)11-3
    -2-4-12(21)14(11)22/h2-4,
    7-9,13,21-22,24H,5-6H2,1H
    3,(H,17,18)/t9-,13+/m1/s1;
    FCWIGDCVHNNXFS-RNCFNFMXSA-N    		 C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N
    (CCc3c[nH]cn3)O; CC1C(N=C(O1)c2cccc(c2O)
    O)C(=O)N(CCc3c[nH]cn3)O; C[C@H]1OC(=N[C@
    @H]1C(=O)N(O)CCc2c[nH]cn2)c3cccc(O)c3O;
    C[CH]1OC(=N[CH]1C(=O)N(O)CCc2c[nH]cn2)c3
    cccc(O)c3O    		 (4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide
    20396
    FV9
    CHEMBL4472025    		 1 C20 H17 F N4 O7 P2 S InChI=1S/C20H17FN4O7P2S/c
    21-13-6-4-11(5-7-13)18(26
    )22-14-3-1-2-12(10-14)16-
    23-17(15-8-9-35-19(15)24-
    16)25-20(33(27,28)29)34(3
    0,31)32/h1-10,20H,(H,22,2
    6)(H,23,24,25)(H2,27,28,2
    9)(H2,30,31,32);
    LIRGVHIAOLGZJX-UHFFFAOYSA-N    		 O[P](O)(=O)C(Nc1nc(nc2sccc12)c3cccc(NC(=
    O)c4ccc(F)cc4)c3)[P](O)(O)=O; c1cc(cc(c1
    )NC(=O)c2ccc(cc2)F)c3nc(c4ccsc4n3)NC(P(=
    O)(O)O)P(=O)(O)O; OP(O)(=O)C(P(O)(O)=O)N
    c2c1c(scc1)nc(n2)c3cc(ccc3)NC(c4ccc(F)cc
    4)=O    		 {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
    20397
    FVA
    ZINC000000398891    		 0 C6 H11 N O3 InChI=1S/C6H11NO3/c1-4(2)
    5(6(9)10)7-3-8/h3-5H,1-2H
    3,(H,7,8)(H,9,10)/t5-/m0/
    s1;
    QBYYLBWFBPAOKU-YFKPBYRVSA-N    		 CC(C)C(C(=O)O)NC=O; O=CNC(C(=O)O)C(C)C;
    CC(C)[CH](NC=O)C(O)=O; CC(C)[C@H](NC=O)C
    (O)=O; CC(C)[C@@H](C(=O)O)NC=O    		 N-formyl-L-valine
    20398
    FVB    		 1 C26 H32 F6 O3 InChI=1S/C26H32F6O3/c1-3-
    19(11-12-20-15-22(33)16-2
    3(34)17(20)2)21-10-7-9-18
    (14-21)8-5-4-6-13-24(35,2
    5(27,28)29)26(30,31)32/h7
    ,9-12,14,22-23,33-35H,2-6
    ,8,13,15-16H2,1H3/b19-11+
    ,20-12-/t22-,23+/m1/s1;
    MARICLVKOFLLAP-JRJKOMHBSA-N    		 CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCCCC
    C(C(F)(F)F)(C(F)(F)F)O; CC/C(=C\C=C/1\C[
    C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(
    C(F)(F)F)(C(F)(F)F)O; CCC(=C\C=C1\C[C@@H
    ](O)C[C@H](O)C1=C)/c2cccc(CCCCCC(O)(C(F)
    (F)F)C(F)(F)F)c2; CCC(=CC=C1C[CH](O)C[CH
    ](O)C1=C)c2cccc(CCCCCC(O)(C(F)(F)F)C(F)(
    F)F)c2    		 (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol
    20399
    FVC    		 2 C22 H21 B N4 O3 InChI=1S/C22H21BN4O3/c1-1
    3-6-14(4-5-20(13)23(29)30
    )19-12-26-21-18(19)8-16(1
    1-25-21)15-7-17(10-24-9-1
    5)22(28)27(2)3/h4-12,29-3
    0H,1-3H3,(H,25,26);
    MRFQEQSCJZCQMR-UHFFFAOYSA-N    		 B(c1ccc(cc1C)c2c[nH]c3c2cc(cn3)c4cc(cnc4
    )C(=O)N(C)C)(O)O; CN(C)C(=O)c1cncc(c1)c2
    cnc3[nH]cc(c4ccc(B(O)O)c(C)c4)c3c2    		 [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
    20400
    FVD
    CHEMBL4205543    		 1 C25 H29 Cl F N5 InChI=1S/C25H29ClFN5/c1-1
    6-11-18(12-17(2)23(16)27)
    15-32-22-14-20(26)13-21(1
    9-3-5-28-6-4-19)24(22)30-
    25(32)31-9-7-29-8-10-31/h
    3,11-14,28-29H,4-10,15H2,
    1-2H3;
    AICGXPKTEXWHDK-UHFFFAOYSA-N    		 Cc1cc(Cn2c3cc(Cl)cc(C4=CCNCC4)c3nc2N5CCN
    CC5)cc(C)c1F; n3(c2cc(cc(C=1CCNCC=1)c2nc
    3N4CCNCC4)Cl)Cc5cc(C)c(c(c5)C)F; Cc1cc(c
    c(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)C5=CCNC
    C5)Cl    		 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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