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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    20401 F79
    CHEMBL230492
    ZINC000014965095    		 1 C17 H19 F N2 O5 S InChI=1S/C17H19FN2O5S/c1-
    2-11-3-8-14(15(17(21)22)1
    6(11)25-10-9-19)20-26(23,
    24)13-6-4-12(18)5-7-13/h3
    -8,20H,2,9-10,19H2,1H3,(H
    ,21,22);
    YLNWNNUWISTBAA-UHFFFAOYSA-N    		 CCc1ccc(N[S](=O)(=O)c2ccc(F)cc2)c(C(O)=O
    )c1OCCN; Fc1ccc(cc1)S(=O)(=O)Nc2c(C(=O)O
    )c(OCCN)c(cc2)CC; CCc1ccc(c(c1OCCN)C(=O)
    O)NS(=O)(=O)c2ccc(cc2)F    		 2-(2-AMINOETHOXY)-3-ETHYL-6-{[(4-FLUOROPHENYL)SULFONYL]AMINO}BENZOIC ACID
    20402 F7A
    ZINC000064746614    		 2 C20 H14 F3 N O2 InChI=1S/C20H14F3NO2/c21-
    20(22,23)18-12-5-4-11-17(
    18)19(25)24-14-7-6-10-16(
    13-14)26-15-8-2-1-3-9-15/
    h1-13H,(H,24,25);
    DPQMGAHMROSIOB-UHFFFAOYSA-N    		 FC(F)(F)c1ccccc1C(=O)Nc2cccc(Oc3ccccc3)c
    2; c1ccc(cc1)Oc2cccc(c2)NC(=O)c3ccccc3C(
    F)(F)F    		 N-(3-phenoxyphenyl)-2-(trifluoromethyl)benzamide
    20403 F7B
    CHEMBL4241500
    ZINC000000106039    		 2 C9 H7 Cl O S InChI=1S/C9H7ClOS/c10-6-1
    -2-9-7(5-6)8(11)3-4-12-9/
    h1-2,5H,3-4H2;
    OKHUUKHZUNKSQA-UHFFFAOYSA-N    		 c1cc2c(cc1Cl)C(=O)CCS2; Clc1ccc2SCCC(=O)
    c2c1    		 6-chloranyl-2,3-dihydrothiochromen-4-one
    20404 F7C
    ZINC000001529657    		 1 C4 H4 O6 InChI=1S/C4H4O6/c5-1(3(7)
    8)2(6)4(9)10/h1,5H,(H,7,8
    )(H,9,10)/t1-/m0/s1;
    RMHHUKGVZFVHED-SFOWXEAESA-N    		 C(C(=O)C(=O)O)(C(=O)O)O; O[C@H](C(O)=O)C
    (=O)C(O)=O; [C@H](C(=O)C(=O)O)(C(=O)O)O;
    O[CH](C(O)=O)C(=O)C(O)=O    		 (2~{S})-2-oxidanyl-3-oxidanylidene-butanedioic acid
    20405 F7D 3 C19 H15 F2 N5 O2 InChI=1S/C19H15F2N5O2/c1-
    4-6-25-11(3)18(28)26(7-5-
    2)15-10-22-19(24-17(15)25
    )23-12-8-13(20)16(27)14(2
    1)9-12/h1-2,8-11,27H,6-7H
    2,3H3,(H,22,23,24)/t11-/m
    1/s1;
    KDZIESJUFYBJGD-LLVKDONJSA-N    		 CC1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F
    )O)F)CC#C; c12N(CC#C)C(=O)C(C)N(CC#C)c1n
    c(nc2)Nc3cc(F)c(O)c(c3)F; C[CH]1N(CC#C)c
    2nc(Nc3cc(F)c(O)c(F)c3)ncc2N(CC#C)C1=O;
    C[C@H]1N(CC#C)c2nc(Nc3cc(F)c(O)c(F)c3)nc
    c2N(CC#C)C1=O; C[C@@H]1C(=O)N(c2cnc(nc2N
    1CC#C)Nc3cc(c(c(c3)F)O)F)CC#C    		 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5,8-di(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
    20406 F7E
    ZINC000008217042    		 4 C16 H23 N5 O15 P2 InChI=1S/C16H23N5O15P2/c1
    -4-7(22)9(24)11(26)15(33-
    4)35-38(30,31)36-37(28,29
    )32-2-5-8(23)10(25)14(34-
    5)21-3-18-6-12(21)19-16(1
    7)20-13(6)27/h3-5,8-11,14
    -15,23-26H,2H2,1H3,(H,28,
    29)(H,30,31)(H3,17,19,20,
    27)/t4-,5-,8-,9+,10-,11+,
    14-,15-/m1/s1;
    PNHLMHWWFOPQLK-BKUUWRAGSA-N    		 CC1C(=O)C(C(C(O1)OP(=O)(O)OP(=O)(O)OCC2C
    (C(C(O2)n3cnc4c3N=C(NC4=O)N)O)O)O)O; C[C
    H]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[
    CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)
    [CH](O)[CH](O)C1=O; C[C@H]1O[C@H](O[P](O
    )(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[
    C@@H]2O)n3cnc4C(=O)NC(=Nc34)N)[C@@H](O)[
    C@@H](O)C1=O; C[C@@H]1C(=O)[C@@H]([C@@H]
    ([C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@
    H]([C@H]([C@@H](O2)n3cnc4c3N=C(NC4=O)N)O
    )O)O)O
    20407 F7F 1 C17 H21 N4 O10 P InChI=1S/C17H21N4O10P/c1-
    7-3-9-10(4-8(7)2)21-17(31
    -21)14(18-16(26)19-15(17)
    25)20(9)5-11(22)13(24)12(
    23)6-30-32(27,28)29/h3-4,
    11-13,22-24H,5-6H2,1-2H3,
    (H,19,25,26)(H2,27,28,29)
    /t11-,12+,13-,17+,21+/m1/
    s1;
    SBINLJVNHAXUDP-YRTJRJKOSA-N    		 Cc1cc2N(C[C@@H](O)[C@@H](O)[C@@H](O)CO[P
    ](O)(O)=O)C3=NC(=O)NC(=O)[C@@]34ON4c2cc1
    C; Cc1cc2c(cc1C)N3C4(O3)C(=O)NC(=O)N=C4N
    2CC(C(C(COP(=O)(O)O)O)O)O; Cc1cc2c(cc1C)
    N3[C@@]4(O3)C(=O)NC(=O)N=C4N2C[C@H]([C@H
    ]([C@H](COP(=O)(O)O)O)O)O; Cc1cc2N(C[CH]
    (O)[CH](O)[CH](O)CO[P](O)(O)=O)C3=NC(=O)
    NC(=O)[C]34ON4c2cc1C    		 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE
    20408 F7H 0 C13 H17 N3 O4 InChI=1S/C13H17N3O4/c1-6-
    5-16(11(17)15-9(6)14)8-4-
    12(18)2-7-3-13(7,19)10(12
    )20-8/h5,7-8,10,18-19H,2-
    4H2,1H3,(H2,14,15,17)/t7-
    ,8-,10+,12+,13-/m1/s1;
    GKRDGXCEGWQOOW-ZIDZYHNGSA-N    		 CC1=CN(C(=O)N=C1N)C2CC3(CC4CC4(C3O2)O)O;
    CC1=CN([C@H]2C[C@@]3(O)C[C@@H]4C[C@]4(O
    )[C@H]3O2)C(=O)N=C1N; CC1=CN([CH]2C[C]3(
    O)C[CH]4C[C]4(O)[CH]3O2)C(=O)N=C1N; CC1=
    CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@
    ]4([C@H]3O2)O)O    		 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one
    20409 F7I
    CHEMBL5204528    		 2 C24 H23 N5 O3 InChI=1S/C24H23N5O3/c30-2
    4(26-15-17-4-2-1-3-5-17)1
    9-7-6-18-14-21(19)32-13-1
    2-31-11-9-25-22-8-10-29-2
    3(28-22)20(18)16-27-29/h1
    -8,10,14,16H,9,11-13,15H2
    ,(H,25,28)(H,26,30);
    QUXWMXHXYXTBRA-UHFFFAOYSA-N    		 c1ccc(cc1)CNC(=O)c2ccc-3cc2OCCOCCNc4ccn5
    c(c3cn5)n4; O=C(NCc1ccccc1)c2ccc3cc2OCCO
    CCNc4ccn5ncc3c5n4    		 ~{N}-(phenylmethyl)-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
    20410 F7J
    CHEMBL4290728    		 1 C29 H32 N4 O2 InChI=1S/C29H32N4O2/c1-19
    -25(31-28(34)23-9-5-6-20(
    16-23)17-30)10-11-26-27(1
    9)24(18-32(26)2)21-12-14-
    33(15-13-21)29(35)22-7-3-
    4-8-22/h5-6,9-11,16,18,21
    -22H,3-4,7-8,12-15H2,1-2H
    3,(H,31,34);
    HQKLWNNRWVVUSC-UHFFFAOYSA-N    		 N(C(c1cccc(c1)C#N)=O)c5ccc2c(c(cn2C)C4CC
    N(C(C3CCCC3)=O)CC4)c5C; Cc1c(ccc2c1c(cn2
    C)C3CCN(CC3)C(=O)C4CCCC4)NC(=O)c5cccc(c5
    )C#N; Cn1cc(C2CCN(CC2)C(=O)C3CCCC3)c4c(C
    )c(NC(=O)c5cccc(c5)C#N)ccc14    		 3-cyano-N-{3-[1-(cyclopentanecarbonyl)piperidin-4-yl]-1,4-dimethyl-1H-indol-5-yl}benzamide
    20411 F7K 0 C13 H15 N5 O4 InChI=1S/C13H15N5O4/c14-1
    1-16-8-7(9(19)17-11)15-4-
    18(8)6-3-12(20)1-5-2-13(5
    ,21)10(12)22-6/h4-6,10,20
    -21H,1-3H2,(H3,14,16,17,1
    9)/t5-,6-,10+,12+,13-/m1/
    s1;
    AFXULUSIHCQUMJ-CFFIBIDHSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3C[C]4(O)C[CH]5
    C[C]5(O)[CH]4O3; c1nc2c(n1[C@H]3C[C@]4(C
    [C@@H]5C[C@@]5([C@H]4O3)O)O)N=C(NC2=O)N;
    NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@@]4(O)C[
    C@@H]5C[C@]5(O)[C@H]4O3; c1nc2c(n1C3CC4(
    CC5CC5(C4O3)O)O)N=C(NC2=O)N    		 2-azanyl-9-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-1~{H}-purin-6-one
    20412 F7L 1 C14 H20 F N O2 InChI=1S/C14H20FNO2/c15-1
    4-6-2-1-5-12(14)10-18-11-
    13(17)9-16-7-3-4-8-16/h1-
    2,5-6,13,17H,3-4,7-11H2/t
    13-/m0/s1;
    HWPXULNASVXWSB-ZDUSSCGKSA-N    		 O[C@H](COCc1ccccc1F)CN2CCCC2; Fc1ccccc1C
    OCC(O)CN2CCCC2; c1ccc(c(c1)COC[C@H](CN2C
    CCC2)O)F; c1ccc(c(c1)COCC(CN2CCCC2)O)F;
    O[CH](COCc1ccccc1F)CN2CCCC2    		 (2S)-1-[(2-fluorobenzyl)oxy]-3-(pyrrolidin-1-yl)propan-2-ol
    20413 F7M
    CHEMBL4281109    		 2 C28 H31 N5 O2 InChI=1S/C28H31N5O2/c1-32
    -18-24(20-10-13-33(14-11-
    20)28(35)21-5-3-2-4-6-21)
    23-16-22(7-8-26(23)32)31-
    27(34)25-15-19(17-29)9-12
    -30-25/h7-9,12,15-16,18,2
    0-21H,2-6,10-11,13-14H2,1
    H3,(H,31,34);
    LRJCIDHTWFKTMZ-UHFFFAOYSA-N    		 c1n(c4c(c1C3CCN(C(C2CCCCC2)=O)CC3)cc(cc4
    )NC(=O)c5cc(ccn5)C#N)C; Cn1cc(c2c1ccc(c2
    )NC(=O)c3cc(ccn3)C#N)C4CCN(CC4)C(=O)C5CC
    CCC5; Cn1cc(C2CCN(CC2)C(=O)C3CCCCC3)c4cc
    (NC(=O)c5cc(ccn5)C#N)ccc14    		 4-cyano-N-{3-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-methyl-1H-indol-5-yl}pyridine-2-carboxamide
    20414 F7N 3 C24 H35 F3 N3 O3 InChI=1S/C24H34F3N3O3/c1-
    15(2)23(7-4-18(11-23)29-2
    0-6-9-33-14-21(20)32-3)22
    (31)30-8-5-19-16(13-30)10
    -17(12-28-19)24(25,26)27/
    h10,12,15,18,20-21,29H,4-
    9,11,13-14H2,1-3H3/p+1/t1
    8-,20+,21-,23+/m1/s1;
    MTMDXAIUENDNDL-RJSMDTJLSA-O    		 CC(C)C1(CCC(C1)[NH2+]C2CCOCC2OC)C(=O)N3C
    Cc4c(cc(cn4)C(F)(F)F)C3; CO[CH]1COCC[CH]
    1[NH2+][CH]2CC[C](C2)(C(C)C)C(=O)N3CCc4n
    cc(cc4C3)C(F)(F)F; CC(C)[C@@]1(CC[C@H](C
    1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCc4c(
    cc(cn4)C(F)(F)F)C3; CO[C@@H]1COCC[C@@H]1
    [NH2+][C@@H]2CC[C@](C2)(C(C)C)C(=O)N3CCc
    4ncc(cc4C3)C(F)(F)F    		 [(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium
    20415 F7O 0 C10 H15 N6 O6 P InChI=1S/C10H15N6O6P/c11-
    9-8-10(13-4-12-9)16(5-14-
    8)1-7(18)15-6(2-17)3-22-2
    3(19,20)21/h4-6,17H,1-3H2
    ,(H,15,18)(H2,11,12,13)(H
    2,19,20,21)/t6-/m1/s1;
    QTPOROPTULPLNT-ZCFIWIBFSA-N    		 c1nc(c2c(n1)n(cn2)CC(=O)N[C@H](CO)COP(=O
    )(O)O)N; Nc1ncnc2n(CC(=O)N[CH](CO)CO[P](
    O)(O)=O)cnc12; c1nc(c2c(n1)n(cn2)CC(=O)N
    C(CO)COP(=O)(O)O)N; Nc1ncnc2n(CC(=O)N[C@
    H](CO)CO[P](O)(O)=O)cnc12    		 [(2R)-2-[2-(6-aminopurin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
    20416 F7P 0 C16 H22 N2 O3 InChI=1S/C16H22N2O3/c1-10
    (19)16(2,3)18-9-11(8-13(1
    7)15(20)21)12-6-4-5-7-14(
    12)18/h4-7,9-10,13,19H,8,
    17H2,1-3H3,(H,20,21)/t10-
    ,13+/m1/s1;
    AMVINRFZGUCXTO-MFKMUULPSA-N    		 C[C@H](C(C)(C)n1cc(c2c1cccc2)C[C@@H](C(=
    O)O)N)O; C[C@@H](O)C(C)(C)n1cc(C[C@H](N)
    C(O)=O)c2ccccc12; C(C(N)C(O)=O)c2c1ccccc
    1n(c2)C(C(C)O)(C)C; C[CH](O)C(C)(C)n1cc(
    C[CH](N)C(O)=O)c2ccccc12; CC(C(C)(C)n1cc
    (c2c1cccc2)CC(C(=O)O)N)O    		 1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan
    20417 F7Q 0 C9 H11 N O5 InChI=1S/C9H11NO5/c10-7(8
    (12)13)5-9(15-14)3-1-6(11
    )2-4-9/h1-4,7,14H,5,10H2,
    (H,12,13)/t7-/m0/s1;
    ASMCASJKXVEEBU-ZETCQYMHSA-N    		 C1=CC(C=CC1=O)(C[C@@H](C(=O)O)N)OO; N[C@
    @H](CC1(OO)C=CC(=O)C=C1)C(O)=O; C1=CC(C=
    CC1=O)(CC(C(=O)O)N)OO; N[CH](CC1(OO)C=CC
    (=O)C=C1)C(O)=O    		 (2~{S})-2-azanyl-3-[1-(dioxidanyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl]propanoic acid
    20418 F7R 0 C9 H15 N4 O7 P InChI=1S/C9H15N4O7P/c10-7
    -1-2-13(9(16)12-7)3-8(15)
    11-6(4-14)5-20-21(17,18)1
    9/h1-2,6,14H,3-5H2,(H,11,
    15)(H2,10,12,16)(H2,17,18
    ,19)/t6-/m1/s1;
    WZINKHQUEQYIEP-ZCFIWIBFSA-N    		 C1=CN(C(=O)N=C1N)CC(=O)N[C@H](CO)COP(=O)
    (O)O; NC1=NC(=O)N(CC(=O)N[C@H](CO)CO[P](
    O)(O)=O)C=C1; C1=CN(C(=O)N=C1N)CC(=O)NC(
    CO)COP(=O)(O)O; NC1=NC(=O)N(CC(=O)N[CH](
    CO)CO[P](O)(O)=O)C=C1    		 [(2R)-2-[2-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
    20419 F7S 0 C7 H15 N O3 InChI=1S/C7H15NO3/c1-5(4-
    9)3-6(8-2)7(10)11/h5-6,8-
    9H,3-4H2,1-2H3,(H,10,11)/
    t5-,6-/m0/s1;
    CVXBLRFZEQMDMI-WDSKDSINSA-N    		 CN[CH](C[CH](C)CO)C(O)=O; CNC(CC(C)CO)C(
    O)=O; C[C@@H](C[C@@H](C(=O)O)NC)CO; CN[C
    @@H](C[C@H](C)CO)C(O)=O; CC(CC(C(=O)O)NC
    )CO    		 (4S)-5-hydroxy-N-methyl-L-leucine
    20420 F7T 1 C15 H15 Cl2 N3 O3 Pt S InChI=1S/C15H15N3O3S.2ClH
    .Pt/c19-22(20,21)11-5-10-
    18-14-8-2-1-6-12(14)17-15
    (18)13-7-3-4-9-16-13;;;/h
    1-4,6-9H,5,10-11H2,(H,19,
    20,21);2*1H;/q;;;+4/p-2;
    IZMHGJJPSRRFIR-UHFFFAOYSA-L    		 c1ccc2c(c1)n(c-3[n+]2[Pt]([n+]4c3cccc4)(
    Cl)Cl)CCCS(=O)(=O)O; O[S](=O)(=O)CCCn1c2
    ccccc2[n+]3c1c4cccc[n+]4[Pt]3(Cl)Cl    		 alkylated sulphonate-N,N-pyridylbenzimidazole-Pt complex
    20421 F7U 0 C10 H14 N6 O4 InChI=1S/C10H14N6O4/c11-1
    0-14-8-7(9(20)15-10)12-4-
    16(8)1-6(19)13-5(2-17)3-1
    8/h4-5,17-18H,1-3H2,(H,13
    ,19)(H3,11,14,15,20);
    WJAFTVKFSUWOIX-UHFFFAOYSA-N    		 NC1=Nc2n(CC(=O)NC(CO)CO)cnc2C(=O)N1; c1n
    c2c(n1CC(=O)NC(CO)CO)N=C(NC2=O)N    		 2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-N-[1,3-bis(oxidanyl)propan-2-yl]ethanamide
    20422 F7V
    ZINC000005132862    		 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-2-3-
    4-5(7)6(8)9/h2-3,5H,4,7H2
    ,1H3,(H,8,9)/b3-2+/t5-/m0
    /s1;
    OPOBBDXDRHKTJF-HRJJCQLASA-N    		 C/C=C/C[C@@H](C(=O)O)N; CC=CC[CH](N)C(O)
    =O; CC=CCC(C(=O)O)N; NC(C(O)=O)C\C=C\C;
    C/C=C/C[C@H](N)C(O)=O    		 (2S,4E)-2-aminohex-4-enoic acid
    20423 F7W
    CHEMBL145559    		 0 C11 H11 F N2 O2 InChI=1S/C11H11FN2O2/c12-
    8-3-1-2-7-6(5-14-10(7)8)4
    -9(13)11(15)16/h1-3,5,9,1
    4H,4,13H2,(H,15,16)/t9-/m
    0/s1;
    ADMHYWIKJSPIGJ-VIFPVBQESA-N    		 c1cc2c(c[nH]c2c(c1)F)CC(C(=O)O)N; N[C@@H
    ](Cc1c[nH]c2c(F)cccc12)C(O)=O; c1cc2c(c[
    nH]c2c(c1)F)C[C@@H](C(=O)O)N; N[CH](Cc1c
    [nH]c2c(F)cccc12)C(O)=O    		 7-Fluorotryptophan
    20424 F7X 0 C10 H15 N6 O7 P InChI=1S/C10H15N6O7P/c11-
    10-14-8-7(9(19)15-10)12-4
    -16(8)1-6(18)13-5(2-17)3-
    23-24(20,21)22/h4-5,17H,1
    -3H2,(H,13,18)(H2,20,21,2
    2)(H3,11,14,15,19)/t5-/m1
    /s1;
    UGPARWCAUBOAFC-RXMQYKEDSA-N    		 c1nc2c(n1CC(=O)NC(CO)COP(=O)(O)O)N=C(NC2
    =O)N; NC1=Nc2n(CC(=O)N[C@H](CO)CO[P](O)(
    O)=O)cnc2C(=O)N1; c1nc2c(n1CC(=O)N[C@H](
    CO)COP(=O)(O)O)N=C(NC2=O)N; NC1=Nc2n(CC(
    =O)N[CH](CO)CO[P](O)(O)=O)cnc2C(=O)N1    		 [(2R)-2-[2-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)ethanoylamino]-3-oxidanyl-propyl] dihydrogen phosphate
    20425 F7Z 2 C29 H38 N2 O5 InChI=1S/C29H38N2O5/c1-3-
    16-14(2)12-18-19-13-15-9-
    10-21(32)25-26(34)20(31-2
    9(25)35)7-5-11-30-22(33)8
    -4-6-17(15)24(19)28-27(36
    -28)23(16)18/h4,8-10,14-2
    0,23-24,27-28,32H,3,5-7,1
    1-13H2,1-2H3,(H,30,33)(H,
    31,35)/b8-4-,10-9+,25-21-
    /t14-,15-,16-,17+,18-,19-
    ,20+,23+,24-,27-,28+/m1/s
    1;
    XVOOQLPJKAEVAZ-CGBNOSMTSA-N    		 CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C
    (=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3[CH]6O[
    CH]6[CH]12)C5=O)O; CC[C@@H]1[C@H](C)C[C@
    @H]2[C@H]3C[C@H]4/C=C/C(=C5/C(=O)N[C@@H]
    (CCCNC(=O)\C=C/C[C@@H]4[C@H]3[C@@H]6O[C@
    @H]6[C@@H]12)C5=O)O; CCC1C(CC2C1C3C(O3)C
    4C2CC5C4CC=CC(=O)NCCCC6C(=O)C(=C(C=C5)O)
    C(=O)N6)C; CC[C@@H]1[C@@H](C[C@H]2[C@H]1
    [C@@H]3[C@@H](O3)[C@H]4[C@@H]2C[C@@H]/5[
    C@@H]4C/C=C\C(=O)NCCC[C@H]6C(=O)/C(=C(\C
    =C5)/O)/C(=O)N6)C    		 (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione;
    epoxyikarugamycin
    20426 F80
    CHEMBL4741874    		 2 C19 H25 N5 O InChI=1S/C19H25N5O/c1-13-
    11-18(20-2)24-19(22-13)23
    -15-6-7-17(25-3)16(12-15)
    14-5-4-9-21-10-8-14/h6-8,
    11-12,21H,4-5,9-10H2,1-3H
    3,(H2,20,22,23,24);
    JOHUZOVWSNNWQZ-UHFFFAOYSA-N    		 CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1
    ; Cc1cc(nc(n1)Nc2ccc(c(c2)C3=CCNCCC3)OC)
    NC    		 N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
    20427 F81
    ZINC000012359068    		 1 C7 H7 Br O2 InChI=1S/C7H7BrO2/c1-10-6
    -4-2-3-5(8)7(6)9/h2-4,9H,
    1H3;
    WEUFQISIJPSTBM-UHFFFAOYSA-N    		 COc1cccc(c1O)Br; c1(c(cccc1OC)Br)O; COc1
    cccc(Br)c1O    		 2-bromo-6-methoxyphenol
    20428 F82
    CHEMBL4212563    		 3 C25 H27 N5 O5 InChI=1S/C25H27N5O5/c1-15
    (2)30-13-17(12-28-30)29-2
    4(31)8-16-6-7-18(9-21(16)
    32-3)35-25-19-10-22(33-4)
    23(34-5)11-20(19)26-14-27
    -25/h6-7,9-15H,8H2,1-5H3,
    (H,29,31);
    INYIBEJMXPAZLV-UHFFFAOYSA-N    		 CC(C)n1cc(cn1)NC(=O)Cc2ccc(cc2OC)Oc3c4cc
    (c(cc4ncn3)OC)OC; COc1cc(Oc2ncnc3cc(OC)c
    (OC)cc23)ccc1CC(=O)Nc4cnn(c4)C(C)C    		 2-[4-(6,7-dimethoxyquinazolin-4-yl)oxy-2-methoxy-phenyl]-~{N}-(1-propan-2-ylpyrazol-4-yl)ethanamide
    20429 F83
    DB07747
    ZINC000013607010    		 4 C16 H17 Cl N2 O3 S InChI=1S/C16H17ClN2O3S/c1
    7-13-2-4-14(5-3-13)19-23(
    21,22)16-6-1-11-7-15(10-2
    0)18-9-12(11)8-16/h1-6,8,
    15,18-20H,7,9-10H2/t15-/m
    1/s1;
    YTBGBMPLINFTBQ-OAHLLOKOSA-N    		 OC[CH]1Cc2ccc(cc2CN1)[S](=O)(=O)Nc3ccc(C
    l)cc3; c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNC
    (C3)CO)Cl; Clc1ccc(cc1)NS(=O)(=O)c2ccc3c
    (c2)CNC(C3)CO; c1cc(ccc1NS(=O)(=O)c2ccc3
    c(c2)CN[C@H](C3)CO)Cl; OC[C@H]1Cc2ccc(cc
    2CN1)[S](=O)(=O)Nc3ccc(Cl)cc3    		 (3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE;
    3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
    20430 F85
    CHEMBL3322301
    ZINC000095920971    		 1 C18 H26 N2 O7 InChI=1S/C18H26N2O7/c1-18
    (2,3)10-6-4-9(5-7-10)15(2
    5)19-17(26)20-16-14(24)13
    (23)12(22)11(8-21)27-16/h
    4-7,11-14,16,21-24H,8H2,1
    -3H3,(H2,19,20,25,26)/t11
    -,12-,13+,14-,16-/m1/s1;
    VMCPCJUGMOJLFS-XYFZXANASA-N    		 O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(cc2
    )C(C)(C)C; CC(C)(C)c1ccc(cc1)C(=O)NC(=O)
    NC2C(C(C(C(O2)CO)O)O)O; CC(C)(C)c1ccc(cc
    1)C(=O)NC(=O)N[CH]2O[CH](CO)[CH](O)[CH](
    O)[CH]2O; CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N
    [C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)
    O)O; CC(C)(C)c1ccc(cc1)C(=O)NC(=O)N[C@@H
    ]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O    		 N-[(4-tert-butylbenzoyl)carbamoyl]-beta-D-glucopyranosylamine
    20431 F86 2 C12 H14 N5 O7 P InChI=1S/C12H14N5O7P/c13-
    4-12(8-2-1-6-11(14)15-5-1
    6-17(6)8)10(19)9(18)7(24-
    12)3-23-25(20,21)22/h1-2,
    5,7,9-10,18-19H,3H2,(H2,1
    4,15,16)(H2,20,21,22)/t7-
    ,9-,10-,12+/m1/s1;
    ZBHOHJWLOOFLMW-LTGWCKQJSA-N    		 OP(=O)(O)OCC1OC(C#N)(C(O)C1O)c1ccc2c(N)n
    cnn21; Nc1ncnn2c1ccc2[C]3(O[CH](CO[P](O)
    (O)=O)[CH](O)[CH]3O)C#N; c1cc(n2c1c(ncn2
    )N)C3(C(C(C(O3)COP(=O)(O)O)O)O)C#N; c1cc
    (n2c1c(ncn2)N)[C@]3([C@@H]([C@@H]([C@H](
    O3)COP(=O)(O)O)O)O)C#N; Nc1ncnn2c1ccc2[C
    @@]3(O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]
    3O)C#N    		 [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate;
    Remdesivir, bound form
    20432 F87 3 C21 H23 F2 N5 O2 InChI=1S/C21H23F2N5O2/c1-
    5-7-28-17-11-24-21(25-14-
    9-15(22)18(29)16(23)10-14
    )26-19(17)27(8-6-12(2)3)1
    3(4)20(28)30/h1,9-13,29H,
    6-8H2,2-4H3,(H,24,25,26)/
    t13-/m1/s1;
    IHZPRIAIJQSUAF-CYBMUJFWSA-N    		 CC(C)CCN1[CH](C)C(=O)N(CC#C)c2cnc(Nc3cc(
    F)c(O)c(F)c3)nc12; n2cc1N(C(=O)C(C)N(c1n
    c2Nc3cc(F)c(O)c(c3)F)CCC(C)C)CC#C; CC1C(
    =O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(c3)F)O
    )F)CC#C; C[C@@H]1C(=O)N(c2cnc(nc2N1CCC(C
    )C)Nc3cc(c(c(c3)F)O)F)CC#C; CC(C)CCN1[C@
    H](C)C(=O)N(CC#C)c2cnc(Nc3cc(F)c(O)c(F)c
    3)nc12    		 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
    20433 F88
    CHEMBL4213606    		 3 C23 H23 N5 O4 InChI=1S/C23H23N5O4/c1-4-
    28-13-15(12-26-28)9-22(29
    )27-16-5-7-17(8-6-16)32-2
    3-18-10-20(30-2)21(31-3)1
    1-19(18)24-14-25-23/h5-8,
    10-14H,4,9H2,1-3H3,(H,27,
    29);
    LQRLWWAVCUCERB-UHFFFAOYSA-N    		 CCn1cc(cn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c(cc
    4ncn3)OC)OC; CCn1cc(CC(=O)Nc2ccc(Oc3ncnc
    4cc(OC)c(OC)cc34)cc2)cn1    		 ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(1-ethylpyrazol-4-yl)ethanamide
    20434 F89
    CHEMBL169896
    ZINC000003871820    		 22 C27 H24 N4 O6 InChI=1S/C27H24N4O6/c1-14
    -29-21-7-4-16-3-2-15(10-2
    0(16)24(21)25(34)30-14)12
    -28-18-5-6-19-17(11-18)13
    -31(26(19)35)22(27(36)37)
    8-9-23(32)33/h2-7,10-11,2
    2,28H,8-9,12-13H2,1H3,(H,
    32,33)(H,36,37)(H,29,30,3
    4)/t22-/m0/s1;
    BRVFNEZMTRVUGW-QFIPXVFZSA-N    		 CC1=Nc2ccc3ccc(cc3c2C(=O)N1)CNc4ccc5c(c4
    )CN(C5=O)[C@@H](CCC(=O)O)C(=O)O; CC1=Nc2
    ccc3ccc(CNc4ccc5c(CN([C@@H](CCC(O)=O)C(O
    )=O)C5=O)c4)cc3c2C(=O)N1; CC1=Nc2ccc3ccc
    (cc3c2C(=O)N1)CNc4ccc5c(c4)CN(C5=O)C(CCC
    (=O)O)C(=O)O; CC1=Nc2ccc3ccc(CNc4ccc5c(C
    N([CH](CCC(O)=O)C(O)=O)C5=O)c4)cc3c2C(=O
    )N1; O=C(O)C(N5C(=O)c1c(cc(cc1)NCc4cc3c(
    ccc2N=C(NC(=O)c23)C)cc4)C5)CCC(=O)O    		 S)-2-(5(((1,2-DIHYDRO-3-METHYL-1-OXOBENZO(F)QUINAZOLIN-9-YL)METHYL)AMINO)1-OXO-2-ISOINDOLINYL)GLUTARIC ACID;
    FOLATE ANALOG 1843U89
    20435 F8A
    CHEMBL474942
    ZINC000034096411    		 1 C21 H18 F3 N O2 InChI=1S/C21H18F3NO2/c22-
    21(23,24)17-10-3-1-6-13(1
    7)12-25-18-11-4-2-7-14(18
    )15-8-5-9-16(19(15)25)20(
    26)27/h1,3,5-6,8-10H,2,4,
    7,11-12H2,(H,26,27);
    XAYKLHUEULGGGJ-UHFFFAOYSA-N    		 c1ccc(c(c1)Cn2c3c(c4c2c(ccc4)C(=O)O)CCCC
    3)C(F)(F)F; FC(F)(F)c1ccccc1Cn3c2c(C(=O)
    O)cccc2c4c3CCCC4; OC(=O)c1cccc2c3CCCCc3n
    (Cc4ccccc4C(F)(F)F)c12    		 9-[2-(trifluoromethyl)benzyl]-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
    20436 F8B
    CHEMBL4214769    		 3 C23 H24 N6 O4 InChI=1S/C23H24N6O4/c1-14
    (2)19-11-29(28-27-19)12-2
    2(30)26-15-5-7-16(8-6-15)
    33-23-17-9-20(31-3)21(32-
    4)10-18(17)24-13-25-23/h5
    -11,13-14H,12H2,1-4H3,(H,
    26,30);
    VOSCKXNNVDOPMN-UHFFFAOYSA-N    		 CC(C)c1cn(nn1)CC(=O)Nc2ccc(cc2)Oc3c4cc(c
    (cc4ncn3)OC)OC; COc1cc2ncnc(Oc3ccc(NC(=O
    )Cn4cc(nn4)C(C)C)cc3)c2cc1OC    		 ~{N}-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
    20437 F8C 4 C26 H44 N4 O9 S InChI=1S/C26H44N4O9S/c1-1
    5(2)11-19(22(32)28-20(24(
    34)40(36,37)38)12-17-5-8-
    27-21(17)31)29-25(35)39-1
    8-13-26(14-18)6-9-30(10-7
    -26)23(33)16(3)4/h15-20,2
    4,34H,5-14H2,1-4H3,(H,27,
    31)(H,28,32)(H,29,35)(H,3
    6,37,38)/t17-,19-,20-,24-
    /m0/s1;
    SQVQHYGKQGMSJR-CDSYHYPYSA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)C(C)C; O=
    C1NCCC1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CC
    N(CC2)C(=O)C(C)C)C1)C(O)S(=O)(=O)O; CC(C
    )C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C
    1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](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)OC2C
    C3(C2)CCN(CC3)C(=O)C(C)C; CC(C)C[C@H](NC
    (=O)OC1CC2(CCN(CC2)C(=O)C(C)C)C1)C(=O)N[
    C@@H](C[C@@H]3CCNC3=O)[C@@H](O)[S](O)(=O
    )=O    		 (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    20438 F8D 2 C13 H14 Cl N O3 InChI=1S/C13H14ClNO3/c1-7
    (17)15-5-8(6-16)13-12(15)
    10-4-9(14)2-3-11(10)18-13
    /h2-4,8,12-13,16H,5-6H2,1
    H3/t8-,12-,13-/m0/s1;
    MATFGXSXXCCYSM-HJIKLVIJSA-N    		 CC(=O)N1CC(C2C1c3cc(ccc3O2)Cl)CO; CC(=O)
    N1C[CH](CO)[CH]2Oc3ccc(Cl)cc3[CH]12; CC(
    =O)N1C[C@@H](CO)[C@@H]2Oc3ccc(Cl)cc3[C@H
    ]12; c1cc3c(cc1Cl)C2N(C(C)=O)CC(C2O3)CO;
    CC(=O)N1C[C@H]([C@H]2[C@@H]1c3cc(ccc3O2
    )Cl)CO    		 1-[(3S,3aS,8bS)-7-chloro-3-(hydroxymethyl)-2,3,3a,8b-tetrahydro-1H-[1]benzofuro[3,2-b]pyrrol-1-yl]ethan-1-one
    20439 F8E
    CHEMBL4517951
    ZINC000095921299    		 2 C14 H11 Br N4 O2 InChI=1S/C14H11BrN4O2/c1-
    21-14(20)10-6-8(2-3-11(10
    )15)19-13-9-4-5-16-12(9)1
    7-7-18-13/h2-7H,1H3,(H2,1
    6,17,18,19);
    YHDDNFHODNKNQV-UHFFFAOYSA-N    		 COC(=O)c1cc(ccc1Br)Nc2c3cc[nH]c3ncn2; CO
    C(=O)c1cc(Nc2ncnc3[nH]ccc23)ccc1Br; O=C(
    OC)c1cc(ccc1Br)Nc2ncnc3c2ccn3    		 methyl 2-bromo-5-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)benzoate
    20440 F8F 1 C6 H11 N O6 InChI=1S/C6H11NO6/c7-1-2(
    8)3(9)4(5(10)11)13-6(1)12
    /h1-4,6,8-9,12H,7H2,(H,10
    ,11)/t1-,2-,3+,4-,6-/m0/s
    1;
    CRIPFXSBMSGPKB-WAXACMCWSA-N    		 N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O;
    [C@@H]1(C(C([C@H](OC1O)C(=O)O)O)O)N; N[
    C@@H]1[C@@H](O)O[C@@H]([C@H](O)[C@H]1O)C
    (O)=O; C1(C(C(C(OC1O)C(=O)O)O)O)N    		 (2S,5S)-5-azanyl-3,4,6-tris(oxidanyl)oxane-2-carboxylic acid
    20441 F8G 4 C32 H48 N7 O20 P3 S InChI=1S/C32H48N7O20P3S/c
    1-16-4-5-17(40)21(32(16)8
    -6-20(42)57-32)30(46)63-1
    1-10-34-19(41)7-9-35-28(4
    5)25(44)31(2,3)13-55-62(5
    2,53)59-61(50,51)54-12-18
    -24(58-60(47,48)49)23(43)
    29(56-18)39-15-38-22-26(3
    3)36-14-37-27(22)39/h14-1
    6,18,23-25,29,40,43-44H,4
    -13H2,1-3H3,(H,34,41)(H,3
    5,45)(H,50,51)(H,52,53)(H
    2,33,36,37)(H2,47,48,49)/
    t16-,18-,23-,24-,25+,29-,
    32-/m1/s1;
    COMHLEMSBYWTLA-LJKJHTHQSA-N    		 C[C@@H]1CCC(=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)n3
    cnc4c(N)ncnc34)[C@@]15CCC(=O)O5)O; CC1CC
    C(=C(C12CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)
    C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3
    )n4cnc5c4ncnc5N)O)OP(=O)(O)O)O)O; C[CH]1
    CCC(=C(C(=O)SCCNC(=O)CCNC(=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
    )[C]15CCC(=O)O5)O; C[C@@H]1CCC(=C([C@@]1
    2CCC(=O)O2)C(=O)SCCNC(=O)CCNC(=O)[C@@H](
    C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]3[C@H]
    ([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)OP(=O)
    (O)O)O)O; c12n(cnc1c(N)ncn2)C3OC(C(C3O)O
    P(O)(=O)O)COP(OP(OCC(C(C(NCCC(NCCSC(C4=C
    (CCC(C45CCC(O5)=O)C)O)=O)=O)=O)O)(C)C)(O
    )=O)(=O)O    		 S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (5R,10R)-7-hydroxy-10-methyl-2-oxo-1-oxaspiro[4.5]dec-6-ene-6-carbothioate (non-preferred name)
    20442 F8H
    CHEMBL4216473    		 2 C24 H26 F N7 O3 InChI=1S/C24H26FN7O3/c1-1
    5(2)21-12-32(31-30-21)13-
    22(33)28-16-4-6-17(7-5-16
    )29-24-23-19(25)10-18(35-
    9-8-34-3)11-20(23)26-14-2
    7-24/h4-7,10-12,14-15H,8-
    9,13H2,1-3H3,(H,28,33)(H,
    26,27,29);
    FLJOFQUXYAWOPE-UHFFFAOYSA-N    		 COCCOc1cc(F)c2c(Nc3ccc(NC(=O)Cn4cc(nn4)C
    (C)C)cc3)ncnc2c1; CC(C)c1cn(nn1)CC(=O)Nc
    2ccc(cc2)Nc3c4c(cc(cc4F)OCCOC)ncn3    		 ~{N}-[4-[[5-fluoranyl-7-(2-methoxyethoxy)quinazolin-4-yl]amino]phenyl]-2-(4-propan-2-yl-1,2,3-triazol-1-yl)ethanamide
    20443 F8I
    CHEMBL5087558    		 2 C21 H25 N5 O3 InChI=1S/C21H25N5O3/c1-21
    (2,3)25-20(27)15-5-4-14-1
    2-17(15)29-11-10-28-9-7-2
    2-18-6-8-26-19(24-18)16(1
    4)13-23-26/h4-6,8,12-13H,
    7,9-11H2,1-3H3,(H,22,24)(
    H,25,27);
    YCFFONJEHNSECY-UHFFFAOYSA-N    		 CC(C)(C)NC(=O)c1ccc-2cc1OCCOCCNc3ccn4c(c
    2cn4)n3; CC(C)(C)NC(=O)c1ccc2cc1OCCOCCNc
    3ccn4ncc2c4n3    		 ~{N}-~{tert}-butyl-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.1^{2,6}.0^{17,20}]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
    20444 F8J
    CHEMBL4172762    		 4 C30 H39 N7 O S InChI=1S/C30H39N7OS/c1-21
    (2)33-29(38)20-37-19-23(1
    8-36-14-12-35(3)13-15-36)
    26-9-8-24(16-28(26)37)34-
    30(39)31-11-10-22-17-32-2
    7-7-5-4-6-25(22)27/h4-9,1
    6-17,19,21,32H,10-15,18,2
    0H2,1-3H3,(H,33,38)(H2,31
    ,34,39);
    DCSGGGDRUYCRAM-UHFFFAOYSA-N    		 CC(C)NC(=O)Cn1cc(CN2CCN(C)CC2)c3ccc(NC(=
    S)NCCc4c[nH]c5ccccc45)cc13; CC(C)NC(=O)C
    n1cc(c2c1cc(cc2)NC(=S)NCCc3c[nH]c4c3cccc
    4)CN5CCN(CC5)C; n1(c3cc(ccc3c(c1)CN2CCN(
    C)CC2)NC(=S)NCCc4cnc5ccccc45)CC(=O)NC(C)
    C    		 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide
    20445 F8K 4 C23 H27 N2 O2 InChI=1S/C23H26N2O2/c1-25
    (2)16-17-8-11-20(12-9-17)
    24-22-13-10-19(15-23(22)2
    7-4)18-6-5-7-21(14-18)26-
    3/h5-15,24H,16H2,1-4H3/p+
    1;
    SVFQGOYYBWCBTN-UHFFFAOYSA-O    		 COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C)cc3)
    c(OC)c2; C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2O
    C)c3cccc(c3)OC    		 [4-[[2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    20446 F8L 3 C55 H91 O8 P InChI=1S/C55H91O8P/c1-42(
    2)21-12-22-43(3)23-13-24-
    44(4)25-14-26-45(5)27-15-
    28-46(6)29-16-30-47(7)31-
    17-32-48(8)33-18-34-49(9)
    35-19-36-50(10)37-20-38-5
    1(11)39-40-61-64(59,60)63
    -55-54(58)53(57)52(41-56)
    62-55/h21,23,25,27,29,31,
    33,35,37,39,52-58H,12-20,
    22,24,26,28,30,32,34,36,3
    8,40-41H2,1-11H3,(H,59,60
    )/b43-23?,44-25?,45-27-,4
    6-29-,47-31+,48-33-,49-35
    +,50-37+,51-39-/t52-,53-,
    54+,55+/m1/s1;
    YRIPSPRNAZBQAG-KAKITAEPSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC
    CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC
    O[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH]1O;
    CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(
    =CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OC1C(C(C(O
    1)CO)O)O)C)C)C)C)C)C)C)C)C)C; CC(C)=CCCC
    (C)=CCCC(C)=CCC\C(C)=C/CC\C(C)=C/CC\C(C)
    =C\CC\C(C)=C/CC\C(C)=C\CC\C(C)=C\CC\C(C)
    =C/CO[P](O)(=O)O[C@@H]1O[C@H](CO)[C@@H](
    O)[C@@H]1O; CC(=CCCC(=CCCC(=CCC/C(=C\CC/
    C(=C\CC/C(=C/CC/C(=C\CC/C(=C/CC/C(=C/CC/
    C(=C\COP(=O)(O)O[C@H]1[C@H]([C@@H]([C@H]
    (O1)CO)O)O)/C)/C)/C)/C)/C)/C)/C)C)C)C    		 [(2Z,6E,10E,14Z,18E,22Z,26Z)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaenyl] [(2S,3S,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl] hydrogen phosphate
    20447 F8M
    CHEMBL4287613    		 1 C18 H19 N3 O4 InChI=1S/C18H19N3O4/c1-21
    (2)7-3-4-10-5-6-14-11(8-1
    0)15(22)12-9-13(18(23)24)
    16(19)20-17(12)25-14/h5-6
    ,8-9H,3-4,7H2,1-2H3,(H2,1
    9,20)(H,23,24);
    UFHZMIKXSGTKFX-UHFFFAOYSA-N    		 CN(C)CCCc1ccc2Oc3nc(N)c(cc3C(=O)c2c1)C(O
    )=O; CN(C)CCCc1ccc2c(c1)C(=O)c3cc(c(nc3O
    2)N)C(=O)O; CN(C)CCCc3ccc1c(C(c2c(O1)nc(
    c(c2)C(O)=O)N)=O)c3    		 2-amino-7-[3-(dimethylamino)propyl]-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid;
    7-[3-(dimethylamino)propyl] Analog of Amlexanox
    20448 F8N
    ZINC000257212022    		 4 C26 H31 N3 O3 InChI=1S/C26H31N3O3/c1-31
    -24-8-3-7-23(18-24)22-6-2
    -5-21(17-22)19-26(9-15-32
    -16-10-26)25(30)28-11-4-1
    3-29-14-12-27-20-29/h2-3,
    5-8,12,14,17-18,20H,4,9-1
    1,13,15-16,19H2,1H3,(H,28
    ,30);
    CBOYVLWCZVCRSZ-UHFFFAOYSA-N    		 COc1cccc(c1)c2cccc(c2)CC3(CCOCC3)C(=O)NC
    CCn4ccnc4; COc1cccc(c1)c2cccc(CC3(CCOCC3
    )C(=O)NCCCn4ccnc4)c2    		 ~{N}-(3-imidazol-1-ylpropyl)-4-[[3-(3-methoxyphenyl)phenyl]methyl]oxane-4-carboxamide
    20449 F8O 1 C10 H20 O2 InChI=1S/C10H20O2/c1-4-5-
    6-8(2)7-9(3)10(11)12/h8-9
    H,4-7H2,1-3H3,(H,11,12)/t
    8-,9-/m1/s1;
    BBRLCIVWEAHSPK-RKDXNWHRSA-N    		 CCCC[C@@H](C)C[C@@H](C)C(O)=O; CCCC[C@@H
    ](C)C[C@@H](C)C(=O)O; CCCCC(C)CC(C)C(=O)
    O; CCCC[CH](C)C[CH](C)C(O)=O    		 (2~{R},4~{R})-2,4-dimethyloctanal
    20450 F8P
    CHEMBL4277066    		 1 C19 H16 F2 N2 O4 InChI=1S/C19H16F2N2O4/c20
    -19(21)5-3-9(4-6-19)10-1-
    2-14-11(7-10)15(24)12-8-1
    3(18(25)26)16(22)23-17(12
    )27-14/h1-2,7-9H,3-6H2,(H
    2,22,23)(H,25,26);
    YBTHXDAXRWKGKS-UHFFFAOYSA-N    		 Nc1nc2Oc3ccc(cc3C(=O)c2cc1C(O)=O)C4CCC(F
    )(F)CC4; c4(c(cc3c(Oc2ccc(C1CCC(F)(CC1)F
    )cc2C3=O)n4)C(O)=O)N; c1cc2c(cc1C3CCC(CC
    3)(F)F)C(=O)c4cc(c(nc4O2)N)C(=O)O    		 2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid;
    7-(4,4-difluorocyclohexyl) Analog of Amlexanox
    20451 F8Q 5 C23 H26 F N2 O2 InChI=1S/C23H25FN2O2/c1-2
    6(2)15-16-8-10-18(11-9-16
    )25-21-13-12-20(22(24)23(
    21)28-4)17-6-5-7-19(14-17
    )27-3/h5-14,25H,15H2,1-4H
    3/p+1;
    VDMBGVBPYJVMMO-UHFFFAOYSA-O    		 C[NH+](C)Cc1ccc(cc1)Nc2ccc(c(c2OC)F)c3cc
    cc(c3)OC; COc1cccc(c1)c2ccc(Nc3ccc(C[NH+
    ](C)C)cc3)c(OC)c2F    		 [4-[[3-fluoranyl-2-methoxy-4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    20452 F8R 1 C28 H33 N7 O4 S InChI=1S/C28H33N7O4S/c1-1
    7(2)40(37,38)24-9-7-6-8-1
    9(24)30-27-26-20(10-12-29
    -26)31-28(33-27)32-21-15-
    22-18(14-23(21)39-5)11-13
    -35(22)25(36)16-34(3)4/h6
    -10,12,14-15,17,29H,11,13
    ,16H2,1-5H3,(H2,30,31,32,
    33);
    HTWIYZGXLMTRHE-UHFFFAOYSA-N    		 COc1cc2CCN(C(=O)CN(C)C)c2cc1Nc3nc(Nc4ccc
    cc4[S](=O)(=O)C(C)C)c5[nH]ccc5n3; CC(C)S
    (=O)(=O)c1ccccc1Nc2c3c(cc[nH]3)nc(n2)Nc4
    cc5c(cc4OC)CCN5C(=O)CN(C)C    		 2-(dimethylamino)-1-[5-methoxy-6-[[4-[(2-propan-2-ylsulfonylphenyl)amino]-5H-pyrrolo[3,2-d]pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]ethanone
    20453 F8S
    CHEMBL4282790    		 1 C18 H16 N2 O6 S InChI=1S/C18H16N2O6S/c19-
    16-13(18(22)23)8-12-15(21
    )11-7-10(1-2-14(11)26-17(
    12)20-16)9-3-5-27(24,25)6
    -4-9/h1-2,7-9H,3-6H2,(H2,
    19,20)(H,22,23);
    YLXHHSZCWBYDQH-UHFFFAOYSA-N    		 c4(c(cc3c(Oc1c(cc(cc1)C2CCS(CC2)(=O)=O)C
    3=O)n4)C(O)=O)N; c1cc2c(cc1C3CCS(=O)(=O)
    CC3)C(=O)c4cc(c(nc4O2)N)C(=O)O; Nc1nc2Oc
    3ccc(cc3C(=O)c2cc1C(O)=O)C4CC[S](=O)(=O)
    CC4    		 2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid;
    7-[1,1-bis(oxidanylidene)thian-4-yl Analog of Amlexanox
    20454 F8T 4 C22 H25 N2 O InChI=1S/C22H24N2O/c1-24(
    2)16-17-7-11-20(12-8-17)2
    3-21-13-9-18(10-14-21)19-
    5-4-6-22(15-19)25-3/h4-15
    ,23H,16H2,1-3H3/p+1;
    QEGGQWLIQSTRCS-UHFFFAOYSA-O    		 C[NH+](C)Cc1ccc(cc1)Nc2ccc(cc2)c3cccc(c3
    )OC; COc1cccc(c1)c2ccc(Nc3ccc(C[NH+](C)C
    )cc3)cc2    		 [4-[[4-(3-methoxyphenyl)phenyl]amino]phenyl]methyl-dimethyl-azanium
    20455 F8U 1 C4 H10 O8 S2 InChI=1S/C4H10O8S2/c5-3(1
    -13(7,8)9)4(6)2-14(10,11)
    12/h3-6H,1-2H2,(H,7,8,9)(
    H,10,11,12)/t3-,4-/m0/s1;
    HLYMICSVYBDBOV-IMJSIDKUSA-N    		 C([C@@H]([C@H](CS(=O)(=O)O)O)O)S(=O)(=O)
    O; O[C@@H](C[S](O)(=O)=O)[C@@H](O)C[S](O
    )(=O)=O; C(C(C(CS(=O)(=O)O)O)O)S(=O)(=O)
    O; O[CH](C[S](O)(=O)=O)[CH](O)C[S](O)(=O
    )=O    		 (2R,3R)-2,3-bis(oxidanyl)butane-1,4-disulfonic acid
    20456 F8V
    CHEMBL4215228    		 1 C35 H35 F N8 O2 S InChI=1S/C35H35FN8O2S/c1-
    47-35(34(46)39-27-9-12-30
    -29(21-27)32(41-40-30)24-
    3-7-26(36)8-4-24)13-16-42
    (23-35)22-31(45)44-19-17-
    43(18-20-44)28-10-5-25(6-
    11-28)33-37-14-2-15-38-33
    /h2-12,14-15,21H,13,16-20
    ,22-23H2,1H3,(H,39,46)(H,
    40,41)/t35-/m0/s1;
    MRHUCFAJTNKMCG-DHUJRADRSA-N    		 CS[C]1(CCN(CC(=O)N2CCN(CC2)c3ccc(cc3)c4n
    cccn4)C1)C(=O)Nc5ccc6[nH]nc(c7ccc(F)cc7)
    c6c5; CS[C@]1(CCN(CC(=O)N2CCN(CC2)c3ccc(
    cc3)c4ncccn4)C1)C(=O)Nc5ccc6[nH]nc(c7ccc
    (F)cc7)c6c5; CSC1(CCN(C1)CC(=O)N2CCN(CC2
    )c3ccc(cc3)c4ncccn4)C(=O)Nc5ccc6c(c5)c(n
    [nH]6)c7ccc(cc7)F; O=C(N1CCN(CC1)c2ccc(c
    c2)c3ncccn3)CN4CC(CC4)(SC)C(=O)Nc7cc6c(c
    5ccc(cc5)F)nnc6cc7; CS[C@]1(CCN(C1)CC(=O
    )N2CCN(CC2)c3ccc(cc3)c4ncccn4)C(=O)Nc5cc
    c6c(c5)c(n[nH]6)c7ccc(cc7)F    		 (3S)-N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-3-(methylsulfanyl)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)pyrrolidine-3-carboxamide
    20457 F8W
    ZINC000085772570    		 6 C34 H50 N6 O11 InChI=1S/C34H50N6O11/c41-
    25-9-7-23(19-27(25)43)31(
    47)39-17-5-13-35-11-1-3-1
    5-37-29(45)21-34(51,33(49
    )50)22-30(46)38-16-4-2-12
    -36-14-6-18-40-32(48)24-8
    -10-26(42)28(44)20-24/h7-
    10,19-20,35-36,41-44,51H,
    1-6,11-18,21-22H2,(H,37,4
    5)(H,38,46)(H,39,47)(H,40
    ,48)(H,49,50);
    GKIMOVAPSAVJHZ-UHFFFAOYSA-N    		 c1cc(c(cc1C(=O)NCCCNCCCCNC(=O)CC(CC(=O)N
    CCCCNCCCNC(=O)c2ccc(c(c2)O)O)(C(=O)O)O)O
    )O; OC(=O)C(O)(CC(=O)NCCCCNCCCNC(=O)c1cc
    c(O)c(O)c1)CC(=O)NCCCCNCCCNC(=O)c2ccc(O)
    c(O)c2
    20458 F8X 0 C6 H11 N O6 InChI=1S/C6H11NO6/c7-1-2(
    8)3(9)4(5(10)11)13-6(1)12
    /h1-4,6,8-9,12H,7H2,(H,10
    ,11)/t1-,2-,3-,4-,6+/m0/s
    1;
    CRIPFXSBMSGPKB-SYJWYVCOSA-N    		 N[CH]1[CH](O)O[CH]([CH](O)[CH]1O)C(O)=O;
    NC1C(O)C(O)C(C(O)=O)OC1O; [C@@H]1([C@@H
    ]([C@@H]([C@H](O[C@H]1O)C(=O)O)O)O)N; N[
    C@@H]1[C@H](O)O[C@@H]([C@@H](O)[C@H]1O)C
    (O)=O; C1(C(C(C(OC1O)C(=O)O)O)O)N    		 2-amino-2-deoxy-beta-D-altropyranuronic acid
    20459 F8Y 3 C18 H17 F2 N5 O2 InChI=1S/C18H17F2N5O2/c1-
    4-6-25-14-9-21-18(22-11-7
    -12(19)15(26)13(20)8-11)2
    3-16(14)24(5-2)10(3)17(25
    )27/h1,7-10,26H,5-6H2,2-3
    H3,(H,21,22,23)/t10-/m1/s
    1;
    ZPVLKVQCFYVQDJ-SNVBAGLBSA-N    		 CCN1c2c(cnc(n2)Nc3cc(c(c(c3)F)O)F)N(C(=O
    )C1C)CC#C; c1(c(c(cc(c1)Nc3nc2N(CC)C(C)C
    (=O)N(c2cn3)CC#C)F)O)F; CCN1c2c(cnc(n2)N
    c3cc(c(c(c3)F)O)F)N(C(=O)[C@H]1C)CC#C; C
    CN1[C@H](C)C(=O)N(CC#C)c2cnc(Nc3cc(F)c(O
    )c(F)c3)nc12; CCN1[CH](C)C(=O)N(CC#C)c2c
    nc(Nc3cc(F)c(O)c(F)c3)nc12    		 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-8-ethyl-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
    20460 F8Z
    CHEMBL3183436
    ZINC000095860844    		 2 C32 H38 N4 O7 InChI=1S/C32H38N4O7/c1-20
    -15-36(21(2)18-37)31(38)2
    6-14-24(34-32(39)33-23-6-
    9-25(40-4)10-7-23)8-12-27
    (26)43-30(20)17-35(3)16-2
    2-5-11-28-29(13-22)42-19-
    41-28/h5-14,20-21,30,37H,
    15-19H2,1-4H3,(H2,33,34,3
    9)/t20-,21-,30-/m0/s1;
    NGRSXEMLDRQNMH-LPBFERMMSA-N    		 COc1ccc(NC(=O)Nc2ccc3O[CH](CN(C)Cc4ccc5O
    COc5c4)[CH](C)CN([CH](C)CO)C(=O)c3c2)cc1
    ; COc1ccc(NC(=O)Nc2ccc3O[C@@H](CN(C)Cc4c
    cc5OCOc5c4)[C@@H](C)CN([C@@H](C)CO)C(=O)
    c3c2)cc1; CC1CN(C(=O)c2cc(ccc2OC1CN(C)Cc
    3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)C(C)C
    O; C[C@H]1CN(C(=O)c2cc(ccc2O[C@H]1CN(C)C
    c3ccc4c(c3)OCO4)NC(=O)Nc5ccc(cc5)OC)[C@@
    H](C)CO    		 1-[(2~{R},3~{S})-2-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-3-methyl-6-oxidanylidene-5-[(2~{S})-1-oxidanylpropan-2-yl]-3,4-dihydro-2~{H}-1,5-benzoxazocin-8-yl]-3-(4-methoxyphenyl)urea
    20461 F90
    CHEMBL1229097
    ZINC000004536563    		 4 C8 H9 Cl N2 S InChI=1S/C8H9ClN2S/c9-7-3
    -1-6(2-4-7)5-12-8(10)11/h
    1-4H,5H2,(H3,10,11);
    YOCWIHYZDHPSHD-UHFFFAOYSA-N    		 c1cc(ccc1CSC(=N)N)Cl; [H]/N=C(\N)/SCc1cc
    c(cc1)Cl; NC(=N)SCc1ccc(Cl)cc1; Clc1ccc(
    cc1)CSC(=[N@H])N    		 4-chlorobenzyl carbamimidothioate
    20462 F91
    CHEMBL1533396
    ZINC000000570881    		 6 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c1-2-
    13-14(18-8-7-17-13)9-12(1
    )16-10-11-3-5-15-6-4-11/h
    1-6,9,16H,7-8,10H2;
    ZEHRBOVXNPCYAK-UHFFFAOYSA-N    		 C1COc2cc(NCc3ccncc3)ccc2O1; O1c2c(OCC1)c
    c(cc2)NCc3ccncc3; c1cc2c(cc1NCc3ccncc3)O
    CCO2    		 N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
    20463 F92
    CHEMBL319988    		 1 C19 H20 F N5 O InChI=1S/C19H20FN5O/c20-1
    3-3-1-12(2-4-13)17-18(16-
    9-10-22-19(21)24-16)25(11
    -23-17)14-5-7-15(26)8-6-1
    4/h1-4,9-11,14-15,26H,5-8
    H2,(H2,21,22,24)/t14-,15-;
    YNEJNUAUXPCFAS-SHTZXODSSA-N    		 Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3)[CH]4CC[C
    H](O)CC4; Nc1nccc(n1)c2n(cnc2c3ccc(F)cc3
    )[C@H]4CC[C@H](O)CC4; c1cc(ccc1c2c(n(cn2
    )C3CCC(CC3)O)c4ccnc(n4)N)F    		 4-[5-(2-azanylpyrimidin-4-yl)-4-(4-fluorophenyl)imidazol-1-yl]cyclohexan-1-ol
    20464 F93 0 C9 H10 Cl N O4 InChI=1S/C9H10ClNO4/c10-5
    -3-4(1-2-6(5)12)8(13)7(11
    )9(14)15/h1-3,7-8,12-13H,
    11H2,(H,14,15)/t7-,8+/m1/
    s1;
    BACZBJKOFPGENQ-SFYZADRCSA-N    		 c1cc(c(cc1C(C(C(=O)O)N)O)Cl)O; N[C@H]([C
    @@H](O)c1ccc(O)c(Cl)c1)C(O)=O; c1cc(c(cc
    1[C@@H]([C@H](C(=O)O)N)O)Cl)O; N[CH]([CH
    ](O)c1ccc(O)c(Cl)c1)C(O)=O    		 (2R,3S)-2-azanyl-3-(3-chloranyl-4-oxidanyl-phenyl)-3-oxidanyl-propanoic acid
    20465 F94
    CHEMBL253786
    ZINC000000038935    		 1 C15 H10 O4 InChI=1S/C15H10O4/c16-10-
    3-1-2-9(6-10)14-8-13(18)1
    2-5-4-11(17)7-15(12)19-14
    /h1-8,16-17H;
    DYARIVMCYYQNNQ-UHFFFAOYSA-N    		 c1cc(cc(c1)O)C2=CC(=O)c3ccc(cc3O2)O; O=C
    1c3c(OC(=C1)c2cccc(O)c2)cc(O)cc3; Oc1ccc
    2C(=O)C=C(Oc2c1)c3cccc(O)c3    		 7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one;
    7,3-dihydroxyflavone
    20466 F95
    ZINC000001237931    		 3 C11 H8 O6 InChI=1S/C11H8O6/c12-7-2-
    1-6-5(3-8(13)14)4-9(15)17
    -11(6)10(7)16/h1-2,4,12,1
    6H,3H2,(H,13,14);
    LNRFNPKOQGRTFS-UHFFFAOYSA-N    		 O=C(O)CC=1c2c(OC(=O)C=1)c(O)c(O)cc2; c1c
    c(c(c2c1C(=CC(=O)O2)CC(=O)O)O)O; OC(=O)C
    C1=CC(=O)Oc2c(O)c(O)ccc12    		 (7,8-dihydroxy-2-oxo-2H-chromen-4-yl)acetic acid
    20467 F96 2 C21 H22 F N3 O2 InChI=1S/C21H22FN3O2/c22-
    16-4-1-3-14(9-16)15-6-7-1
    8-20(10-15)25(13-24-18)12
    -17(26)11-19-21(27)5-2-8-
    23-19/h1,3-4,6-7,9-10,13,
    19,21,23,27H,2,5,8,11-12H
    2/t19-,21+/m1/s1;
    VQOVGCNWRLIDFU-CTNGQTDRSA-N    		 c1cc(cc(c1)F)c2ccc3c(c2)n(cn3)CC(=O)C[C@
    @H]4[C@H](CCCN4)O; O[C@H]1CCCN[C@@H]1CC(
    =O)Cn2cnc3ccc(cc23)c4cccc(F)c4; c1cc(cc(
    c1)F)c2ccc3c(c2)n(cn3)CC(=O)CC4C(CCCN4)O
    ; O[CH]1CCCN[CH]1CC(=O)Cn2cnc3ccc(cc23)c
    4cccc(F)c4    		 1-[6-(3-fluorophenyl)benzimidazol-1-yl]-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one
    20468 F97 3 C21 H26 F2 N8 InChI=1S/C21H26F2N8/c1-13
    (2)31-17-8-18(25-10-15(17
    )11-26-31)28-19-7-16(14-3
    -5-24-9-14)27-20(29-19)30
    -6-4-21(22,23)12-30/h7-8,
    10-11,13-14,24H,3-6,9,12H
    2,1-2H3,(H,25,27,28,29)/t
    14-/m1/s1;
    JKPAJCPZQIJPPS-CQSZACIVSA-N    		 CC(C)n1ncc2cnc(Nc3cc(nc(n3)N4CCC(F)(F)C4
    )[CH]5CCNC5)cc12; CC(C)n1c2cc(ncc2cn1)Nc
    3cc(nc(n3)N4CCC(C4)(F)F)C5CCNC5; CC(C)n1
    c2cc(ncc2cn1)Nc3cc(nc(n3)N4CCC(C4)(F)F)[
    C@@H]5CCNC5; c21cc(ncc1cnn2C(C)C)Nc4cc(n
    c(N3CCC(C3)(F)F)n4)C5CCNC5; CC(C)n1ncc2c
    nc(Nc3cc(nc(n3)N4CCC(F)(F)C4)[C@@H]5CCNC
    5)cc12    		 N-{2-(3,3-difluoropyrrolidin-1-yl)-6-[(3R)-pyrrolidin-3-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-6-amine
    20469 F98
    CHEMBL205338
    ZINC000003923871    		 5 C5 H12 N O5 P InChI=1S/C5H12NO5P/c1-5(7
    )6(8)3-2-4-12(9,10)11/h8H
    ,2-4H2,1H3,(H2,9,10,11);
    PKMNDDZSIHLLLI-UHFFFAOYSA-N    		 O=P(O)(O)CCCN(O)C(=O)C; CC(=O)N(CCCP(=O)
    (O)O)O; CC(=O)N(O)CCC[P](O)(O)=O    		 3-[ethanoyl(hydroxy)amino]propylphosphonic acid
    20470 F99 2 C16 H20 Cl N3 O2 InChI=1S/C16H20ClN3O2/c1-
    10-12(17)4-5-14-16(10)19-
    9-20(14)8-11(21)7-13-15(2
    2)3-2-6-18-13/h4-5,9,13,1
    5,18,22H,2-3,6-8H2,1H3/t1
    3-,15+/m1/s1;
    QGJXLDZCSUOUAE-HIFRSBDPSA-N    		 Cc1c(ccc2c1ncn2CC(=O)C[C@@H]3[C@H](CCCN3
    )O)Cl; Cc1c(ccc2c1ncn2CC(=O)CC3C(CCCN3)O
    )Cl; Cc1c(Cl)ccc2n(CC(=O)C[C@H]3NCCC[C@@
    H]3O)cnc12; Cc1c(Cl)ccc2n(CC(=O)C[CH]3NC
    CC[CH]3O)cnc12    		 1-(5-chloranyl-4-methyl-benzimidazol-1-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one
    20471 F9A
    ZINC000047452658    		 2 C17 H17 F3 N2 O InChI=1S/C17H17F3N2O/c1-2
    2(2)11-12-6-5-7-13(10-12)
    21-16(23)14-8-3-4-9-15(14
    )17(18,19)20/h3-10H,11H2,
    1-2H3,(H,21,23);
    JOBMMUWJHLRXCZ-UHFFFAOYSA-N    		 CN(C)Cc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F;
    CN(C)Cc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1    		 N-{3-[(dimethylamino)methyl]phenyl}-2-(trifluoromethyl)benzamide
    20472 F9B 1 C16 H21 N O4 InChI=1S/C16H21NO4/c18-9-
    13(10-19)17-8-14(20)11-21
    -16-7-3-5-12-4-1-2-6-15(1
    2)16/h1-7,13-14,17-20H,8-
    11H2/t14-/m0/s1;
    KRBDCALBFRZJTM-AWEZNQCLSA-N    		 c1ccc2c(c1)cccc2OC[C@H](CNC(CO)CO)O; OCC
    (CO)NC[CH](O)COc1cccc2ccccc12; OCC(CO)NC
    [C@H](O)COc1cccc2ccccc12; c1ccc2c(c1)ccc
    c2OCC(CNC(CO)CO)O    		 2-[[(2~{S})-3-naphthalen-1-yloxy-2-oxidanyl-propyl]amino]propane-1,3-diol
    20473 F9C 2 C15 H19 Br N4 O2 InChI=1S/C15H19BrN4O2/c1-
    9-11(16)6-18-15-14(9)19-8
    -20(15)7-10(21)5-12-13(22
    )3-2-4-17-12/h6,8,12-13,1
    7,22H,2-5,7H2,1H3/t12-,13
    +/m1/s1;
    HASBACODFIEZPY-OLZOCXBDSA-N    		 Cc1c(Br)cnc2n(CC(=O)C[CH]3NCCC[CH]3O)cnc
    12; Cc1c(cnc2c1ncn2CC(=O)C[C@@H]3[C@H](C
    CCN3)O)Br; Cc1c(cnc2c1ncn2CC(=O)CC3C(CCC
    N3)O)Br; Cc1c(Br)cnc2n(CC(=O)C[C@H]3NCCC
    [C@@H]3O)cnc12    		 1-(6-bromanyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)-3-[(2R,3S)-3-oxidanylpiperidin-2-yl]propan-2-one
    20474 F9D
    CHEMBL51369
    ZINC000001584097    		 0 C5 H7 N O2 InChI=1S/C5H7NO2/c1-2-3-4
    (6)5(7)8/h1,4H,3,6H2,(H,7
    ,8)/t4-/m1/s1;
    DGYHPLMPMRKMPD-SCSAIBSYSA-N    		 C(=O)(O)C(N)CC#C; N[CH](CC#C)C(O)=O; C#C
    C[C@H](C(=O)O)N; C#CCC(C(=O)O)N; N[C@H](
    CC#C)C(O)=O    		 (2R)-2-aminopent-4-ynoic acid
    20475 F9E
    CHEMBL400177
    ZINC000001995484    		 1 C14 H22 N6 O5 InChI=1S/C14H22N6O5/c1-7(
    2)9(15)13(23)24-4-8(3-21)
    25-6-20-5-17-10-11(20)18-
    14(16)19-12(10)22/h5,7-9,
    21H,3-4,6,15H2,1-2H3,(H3,
    16,18,19,22)/t8-,9-/m0/s1;
    WPVFJKSGQUFQAP-IUCAKERBSA-N    		 CC(C)C(C(=O)OCC(CO)OCn1cnc2c1NC(=NC2=O)N
    )N; CC(C)[CH](N)C(=O)OC[CH](CO)OCn1cnc2C
    (=O)N=C(N)Nc12; CC(C)[C@H](N)C(=O)OC[C@H
    ](CO)OCn1cnc2C(=O)N=C(N)Nc12; CC(C)[C@@H
    ](C(=O)OC[C@H](CO)OCn1cnc2c1NC(=NC2=O)N)
    N    		 [(2~{S})-2-[(2-azanyl-6-oxidanylidene-3~{H}-purin-9-yl)methoxy]-3-oxidanyl-propyl] (2~{S})-2-azanyl-3-methyl-butanoate
    20476 F9F
    DB07748
    ZINC000016051904    		 42 C9 H11 F3 N O7 P S InChI=1S/C9H11F3NO7PS/c10
    -9(11,12)20-7-1-3-8(4-2-7
    )22(17,18)13-5-6-19-21(14
    ,15)16/h1-4,13H,5-6H2,(H2
    ,14,15,16);
    JDDKDMFCTOZVCJ-UHFFFAOYSA-N    		 O[P](O)(=O)OCCN[S](=O)(=O)c1ccc(OC(F)(F)
    F)cc1; FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOP
    (=O)(O)O; c1cc(ccc1OC(F)(F)F)S(=O)(=O)NC
    COP(=O)(O)O    		 2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE;
    N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE, F9
    20477 F9G
    ZINC000002568133    		 1 C7 H7 Br O2 InChI=1S/C7H7BrO2/c1-10-7
    -3-2-5(8)4-6(7)9/h2-4,9H,
    1H3;
    OLSJHVZRUFFIPL-UHFFFAOYSA-N    		 COc1ccc(cc1O)Br; COc1ccc(Br)cc1O; c1(c(c
    cc(c1)Br)OC)O    		 5-bromo-2-methoxyphenol
    20478 F9H 14 C23 H20 F3 N7 O4 InChI=1S/C23H20F3N7O4/c1-
    21(2)11-33(20(36)37-21)22
    (18(35)27-19-28-30-31-29-
    19)12-32(16-9-4-3-8-15(16
    )22)17(34)13-6-5-7-14(10-
    13)23(24,25)26/h3-10H,11-
    12H2,1-2H3,(H2,27,28,29,3
    0,31,35)/t22-/m1/s1;
    CIOWYUCMYWZPAD-JOCHJYFZSA-N    		 CC1(C)CN(C(=O)O1)[C]2(CN(C(=O)c3cccc(c3)
    C(F)(F)F)c4ccccc24)C(=O)Nc5[nH]nnn5; CC1
    (CN(C(=O)O1)C2(CN(c3c2cccc3)C(=O)c4cccc(
    c4)C(F)(F)F)C(=O)Nc5[nH]nnn5)C; CC1(CN(C
    (=O)O1)[C@@]2(CN(c3c2cccc3)C(=O)c4cccc(c
    4)C(F)(F)F)C(=O)Nc5[nH]nnn5)C; CC1(C)CN(
    C(=O)O1)C1(CN(C(=O)c2cccc(c2)C(F)(F)F)c2
    ccccc21)C(=O)Nc1nnn[NH]1; CC1(C)CN(C(=O)
    O1)[C@@]2(CN(C(=O)c3cccc(c3)C(F)(F)F)c4c
    cccc24)C(=O)Nc5[nH]nnn5    		 (3S)-3-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide
    20479 F9I 3 C35 H49 N3 O23 S2 InChI=1S/C35H49N3O23S2/c1
    -14(40)37-23-19(42)10-35(
    34(49)50,60-30(23)25(44)2
    0(43)11-36-62(51,52)18-8-
    7-16-5-3-4-6-17(16)9-18)6
    1-31-26(45)22(13-56-63(53
    ,54)55)58-33(28(31)47)59-
    29-21(12-39)57-32(48)24(2
    7(29)46)38-15(2)41/h3-9,1
    9-33,36,39,42-48H,10-13H2
    ,1-2H3,(H,37,40)(H,38,41)
    (H,49,50)(H,53,54,55)/t19
    -,20+,21+,22+,23+,24+,25+
    ,26-,27+,28+,29+,30+,31-,
    32+,33-,35-/m0/s1;
    ZLAPGDVDOMPNMP-XMROQEHSSA-N    		 CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[
    C@@H]2O[C@H](CO[S](O)(=O)=O)[C@H](O)[C@H
    ](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H]
    (O3)[C@H](O)[C@H](O)CN[S](=O)(=O)c4ccc5c
    cccc5c4)C(O)=O)[C@H]2O)[C@@H]1O; CC(=O)N
    [C@@H]1[C@H](C[C@@](O[C@H]1[C@@H]([C@@H]
    (CNS(=O)(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)O
    [C@H]4[C@H]([C@H](O[C@H]([C@@H]4O)O[C@@H
    ]5[C@H](O[C@H]([C@@H]([C@H]5O)NC(=O)C)O)
    CO)COS(=O)(=O)O)O)O; CC(=O)NC1C(CC(OC1C(
    C(CNS(=O)(=O)c2ccc3ccccc3c2)O)O)(C(=O)O)
    OC4C(C(OC(C4O)OC5C(OC(C(C5O)NC(=O)C)O)CO
    )COS(=O)(=O)O)O)O; CC(=O)N[CH]1[CH](O)O[
    CH](CO)[CH](O[CH]2O[CH](CO[S](O)(=O)=O)[
    CH](O)[CH](O[C]3(C[CH](O)[CH](NC(C)=O)[C
    H](O3)[CH](O)[CH](O)CN[S](=O)(=O)c4ccc5c
    cccc5c4)C(O)=O)[CH]2O)[CH]1O    		 (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid
    20480 F9J
    CHEMBL2381980
    ZINC000095921072    		 2 C18 H20 F2 N8 O2 InChI=1S/C18H20F2N8O2/c1-
    10-7-13(27-26-10)23-18-24
    -16(28-3-5-29-6-4-28)14(2
    0)17(25-18)30-11(2)15-21-
    8-12(19)9-22-15/h7-9,11H,
    3-6H2,1-2H3,(H2,23,24,25,
    26,27)/t11-/m0/s1;
    NFYAORHLODKCQX-NSHDSACASA-N    		 C[CH](Oc1nc(Nc2[nH]nc(C)c2)nc(N3CCOCC3)c
    1F)c4ncc(F)cn4; Fc1cnc(nc1)C(Oc3nc(nc(N2
    CCOCC2)c3F)Nc4cc(nn4)C)C; Cc1cc([nH]n1)N
    c2nc(c(c(n2)OC(C)c3ncc(cn3)F)F)N4CCOCC4;
    Cc1cc([nH]n1)Nc2nc(c(c(n2)O[C@@H](C)c3n
    cc(cn3)F)F)N4CCOCC4; C[C@H](Oc1nc(Nc2[nH
    ]nc(C)c2)nc(N3CCOCC3)c1F)c4ncc(F)cn4    		 5-FLUORO-4-[(1S)-1-(5-FLUOROPYRIMIDIN-2-YL)ETHOXY]-N-(5-METHYL-1H-PYRAZOL-3-YL)-6-MORPHOLINO-PYRIMIDIN-2-AMINE
    20481 F9K
    ZINC000150343232    		 2 C42 H51 F2 N7 O9 S InChI=1S/C42H51F2N7O9S/c1
    -3-26-21-42(26)40(56)48-6
    1(58,59)35-19-27(43)15-16
    -32(35)45-17-8-6-4-5-7-14
    -33(46-36(52)29-12-10-18-
    49(2)38(29)54)39(55)51-23
    -28(20-34(51)37(53)47-42)
    60-41(57)50-22-25-11-9-13
    -31(44)30(25)24-50/h3,9,1
    1,13,15-16,19,26,28-29,33
    -34,45H,1,4-8,10,12,14,17
    -18,20-24H2,2H3,(H,46,52)
    (H,47,53)(H,48,56)/t26-,2
    8-,29+,33+,34+,42-/m1/s1;
    JSGPAIBYTVNGSI-ZBBLQTOUSA-N    		 CN1CCC[C@H](C1=O)C(=O)N[C@H]2CCCCCCCNc3c
    cc(cc3S(=O)(=O)NC(=O)[C@]4(C[C@H]4C=C)NC
    (=O)[C@@H]5C[C@H](CN5C2=O)OC(=O)N6Cc7ccc
    c(c7C6)F)F; CN1CCC[C@@H](C(=O)N[C@H]2CCC
    CCCCNc3ccc(F)cc3[S](=O)(=O)NC(=O)[C@]4(C
    [C@H]4C=C)NC(=O)[C@@H]5C[C@H](CN5C2=O)OC
    (=O)N6Cc7cccc(F)c7C6)C1=O; O=C1N(C)CCCC1
    C(=O)NC5C(=O)N4CC(OC(=O)N3Cc2cccc(F)c2C3
    )CC4C(=O)NC7(C(=O)NS(=O)(=O)c6cc(F)ccc6N
    CCCCCCC5)CC7\C=C; CN1CCC[CH](C(=O)N[CH]2
    CCCCCCCNc3ccc(F)cc3[S](=O)(=O)NC(=O)[C]4
    (C[CH]4C=C)NC(=O)[CH]5C[CH](CN5C2=O)OC(=
    O)N6Cc7cccc(F)c7C6)C1=O; CN1CCCC(C1=O)C(
    =O)NC2CCCCCCCNc3ccc(cc3S(=O)(=O)NC(=O)C4
    (CC4C=C)NC(=O)C5CC(CN5C2=O)OC(=O)N6Cc7cc
    cc(c7C6)F)F    		 (1'R,2R,2'S,6S,24AS)-17-FLUORO-6-(1-METHYL-2-OXOPIPERIDINE-3-CARBOXAMIDO)-19,19-DIOXIDO-5,21,24-TRIOXO-2'-VINYL-1,2,3,5,6,7,8,9,10,11,12,13,14,20,21,23,24,24A-OCTADECAHYDROSPIRO[BENZO[S]PYRROLO[2,1-G][1,2,5,8,18]THIATETRAAZACYCLOICOSINE-22,1'-CYCLOPRO-2-CARBOXYLATEPAN]-2-YL 4-FLUOROISOINDOLINE
    20482 F9M 8 C25 H23 F3 N8 O S2 InChI=1S/C25H23F3N8OS2/c1
    -13-21(39-14(2)32-13)19-1
    2-38-24(33-19)34-20-6-3-1
    5(7-29-20)22(37)36-17-4-5
    -18(36)11-35(10-17)23-30-
    8-16(9-31-23)25(26,27)28/
    h3,6-9,12,17-18H,4-5,10-1
    1H2,1-2H3,(H,29,33,34)/t1
    7-,18+;
    JARXMNZSCUFQHX-HDICACEKSA-N    		 Cc1sc(c(C)n1)c2csc(Nc3ccc(cn3)C(=O)N4[CH
    ]5CC[CH]4CN(C5)c6ncc(cn6)C(F)(F)F)n2; Cc
    1c(sc(n1)C)c2csc(n2)Nc3ccc(cn3)C(=O)N4[C
    @@H]5CC[C@H]4CN(C5)c6ncc(cn6)C(F)(F)F; C
    c1c(sc(n1)C)c2csc(n2)Nc3ccc(cn3)C(=O)N4C
    5CCC4CN(C5)c6ncc(cn6)C(F)(F)F; Cc1sc(c(C
    )n1)c2csc(Nc3ccc(cn3)C(=O)N4[C@H]5CC[C@@
    H]4CN(C5)c6ncc(cn6)C(F)(F)F)n2    		 [6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]pyridin-3-yl]-[(1~{S},5~{R})-3-[5-(trifluoromethyl)pyrimidin-2-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]methanone
    20483 F9N 7 C23 H33 N7 O3 S InChI=1S/C23H33N7O3S/c1-3
    0(2)13-7-12-26-34(31,32)1
    9-11-6-10-18(14-19)27-23-
    28-21-20(24-16-25-21)22(2
    9-23)33-15-17-8-4-3-5-9-1
    7/h6,10-11,14,16-17,26H,3
    -5,7-9,12-13,15H2,1-2H3,(
    H2,24,25,27,28,29);
    PEEXIAQHZDNIBT-UHFFFAOYSA-N    		 CN(C)CCCNS(=O)(=O)c1cccc(c1)Nc2nc3c(c(n2
    )OCC4CCCCC4)[nH]cn3; CN(C)CCCN[S](=O)(=O
    )c1cccc(Nc2nc(OCC3CCCCC3)c4[nH]cnc4n2)c1    		 3-[[6-(cyclohexylmethoxy)-7~{H}-purin-2-yl]amino]-~{N}-[3-(dimethylamino)propyl]benzenesulfonamide
    20484 F9O
    CHEMBL4802138
    DB18017    		 2 C15 H19 Cl2 N3 O InChI=1S/C15H19Cl2N3O/c16
    -10-5-6-12-15(14(10)17)19
    -9-20(12)8-2-3-11-13(21)4
    -1-7-18-11/h5-6,9,11,13,1
    8,21H,1-4,7-8H2/t11-,13+/
    m1/s1;
    VXCNMWNXDDMFSX-YPMHNXCESA-N    		 O[CH]1CCCN[CH]1CCCn2cnc3c(Cl)c(Cl)ccc23;
    c1cc(c(c2c1n(cn2)CCCC3C(CCCN3)O)Cl)Cl;
    c1cc(c(c2c1n(cn2)CCC[C@@H]3[C@H](CCCN3)O
    )Cl)Cl; O[C@H]1CCCN[C@@H]1CCCn2cnc3c(Cl)
    c(Cl)ccc23    		 (2R,3S)-2-[3-[4,5-bis(chloranyl)benzimidazol-1-yl]propyl]piperidin-3-ol
    20485 F9P
    CHEMBL2333345
    ZINC000006415504    		 2 C7 H13 N O2 InChI=1S/C7H13NO2/c9-7(8-
    10)6-4-2-1-3-5-6/h6,10H,1
    -5H2,(H,8,9);
    RFWDAWXPYZTVSN-UHFFFAOYSA-N    		 ONC(=O)C1CCCCC1; C1CCC(CC1)C(=O)NO; C1CC
    CCC1C(NO)=O    		 N-hydroxycyclohexanecarboxamide;
    cyclohexylhydroxamate
    20486 F9Q
    CHEMBL4594442
    DB16192    		 1 C15 H11 Cl F N5 InChI=1S/C15H11ClFN5/c1-8
    -6-10(7-12(16)19-8)14-13(
    20-15(18)22-21-14)9-2-4-1
    1(17)5-3-9/h2-7H,1H3,(H2,
    18,20,22);
    NCWQLHHDGDXIJN-UHFFFAOYSA-N    		 Cc1cc(cc(n1)Cl)c2c(nc(nn2)N)c3ccc(cc3)F;
    Cc1cc(cc(Cl)n1)c2nnc(N)nc2c3ccc(F)cc3    		 6-(2-chloranyl-6-methyl-pyridin-4-yl)-5-(4-fluorophenyl)-1,2,4-triazin-3-amine
    20487 F9R
    CHEMBL254219
    DB01396
    ZINC000095862733    		 2 C41 H64 O13 InChI=1S/C41H64O13/c1-20-
    36(46)29(42)16-34(49-20)5
    3-38-22(3)51-35(18-31(38)
    44)54-37-21(2)50-33(17-30
    (37)43)52-25-8-11-39(4)24
    (15-25)6-7-28-27(39)9-12-
    40(5)26(10-13-41(28,40)47
    )23-14-32(45)48-19-23/h14
    ,20-22,24-31,33-38,42-44,
    46-47H,6-13,15-19H2,1-5H3
    /t20-,21-,22-,24-,25+,26-
    ,27+,28-,29+,30+,31+,33+,
    34+,35+,36-,37-,38-,39+,4
    0-,41+/m1/s1;
    WDJUZGPOPHTGOT-XUDUSOBPSA-N    		 C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]2[
    C@@H](O)C[C@@H](O[C@@H]2C)O[C@H]3[C@@H](
    O)C[C@@H](O[C@@H]3C)O[C@H]4CC[C@@]5(C)[C
    @H](CC[C@@H]6[C@@H]5CC[C@]7(C)[C@H](CC[C
    @]67O)C8=CC(=O)OC8)C4; C[CH]1O[CH](C[CH]
    (O)[CH]1O)O[CH]2[CH](O)C[CH](O[CH]2C)O[C
    H]3[CH](O)C[CH](O[CH]3C)O[CH]4CC[C]5(C)[
    CH](CC[CH]6[CH]5CC[C]7(C)[CH](CC[C]67O)C
    8=CC(=O)OC8)C4; C[C@@H]1[C@H]([C@H](C[C@
    @H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[
    C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C
    @]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C
    @@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O
    ; CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O
    )OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O
    )OC8)O)C)C)C)C)O)O    		 Digitoxin;
    3-[(3S,5R,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3-[(2R,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-5-[(2S,4S,5S,6R)-6-methyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-4-oxidanyl-oxan-2-yl]oxy-14-oxidanyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
    20488 F9S 0 C25 H35 N O4 InChI=1S/C25H35NO4/c27-20
    -23-18-22(13-14-24(23)28)
    25(29)19-26-15-7-1-2-8-16
    -30-17-9-6-12-21-10-4-3-5
    -11-21/h3-5,10-11,13-14,1
    8,26-28H,1-2,6-9,12,15-17
    ,19-20H2;
    XPCWLGKNIXSVBR-UHFFFAOYSA-N    		 OCc1cc(ccc1O)C(=O)CNCCCCCCOCCCCc2ccccc2;
    c1ccc(cc1)CCCCOCCCCCCNCC(=O)c2ccc(c(c2)
    CO)O; c1c(cccc1)CCCCOCCCCCCNCC(=O)c2cc(c
    (cc2)O)CO    		 1-[4-hydroxy-3-(hydroxymethyl)phenyl]-2-{[6-(4-phenylbutoxy)hexyl]amino}ethan-1-one
    20489 F9T 9 C23 H25 N O4 InChI=1S/C23H25NO4/c1-2-3
    -4-5-7-17-10-15-21(20(25)
    16-17)27-18-11-13-19(14-1
    2-18)28-23-9-6-8-22(26)24
    -23/h6,8-16,25H,2-5,7H2,1
    H3,(H,24,26);
    RNLVXOQANIRULJ-UHFFFAOYSA-N    		 CCCCCCc1ccc(c(c1)O)Oc2ccc(cc2)Oc3cccc(n3
    )O; CCCCCCc1ccc(Oc2ccc(Oc3cccc(O)n3)cc2)
    c(O)c1    		 6-[4-(4-hexyl-2-oxidanyl-phenoxy)phenoxy]pyridin-2-ol
    20490 F9U 0 C21 H32 N2 O3 InChI=1S/C21H32N2O3/c1-20
    -7-5-13(23-26-10-9-22)11-
    17(20)18(24)12-14-15-3-4-
    19(25)21(15,2)8-6-16(14)2
    0/h14-17H,3-12,22H2,1-2H3
    /b23-13-/t14-,15+,16-,17-
    ,20+,21-/m0/s1;
    MPYLDWFDPHRTEG-XCVJZJIDSA-N    		 C[C@]12CC/C(C[C@H]1C(=O)C[C@@H]3[C@@H]2C
    C[C@@]4(C)[C@@H]3CCC4=O)=N/OCCN; C[C@]12
    CC/C(=N/OCCN)/C[C@H]1C(=O)C[C@@H]3[C@@H]
    2CC[C@]4([C@@H]3CCC4=O)C; CC12CCC(=NOCCN
    )CC1C(=O)CC3C2CCC4(C3CCC4=O)C; C[C]12CCC
    (C[CH]1C(=O)C[CH]3[CH]2CC[C]4(C)[CH]3CCC
    4=O)=NOCCN    		 (3Z,5R,8R,9S,10R,13S,14R)-3-(2-azanylethoxyimino)-10,13-dimethyl-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-6,17-dione
    20491 F9V
    ZINC000000155879    		 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-/m0/s1;
    LVFFZQQWIZURIO-QMMMGPOBSA-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)c1c
    cccc1; O=C(O)C(c1ccccc1)CC(=O)O    		 (2S)-2-phenylbutanedioic acid
    20492 F9W 1 C13 H14 F2 O5 InChI=1S/C13H14F2O5/c14-7
    -2-8(15)4-9(3-7)20-10-1-6
    (5-16)11(17)13(19)12(10)1
    8/h1-4,10-13,16-19H,5H2/t
    10-,11-,12-,13-/m0/s1;
    CSNIOFGNOFVRRH-CYDGBPFRSA-N    		 OCC1=C[CH](Oc2cc(F)cc(F)c2)[CH](O)[CH](O
    )[CH]1O; c1c(cc(cc1F)F)OC2C=C(C(C(C2O)O)
    O)CO; c1c(cc(cc1F)F)O[C@H]2C=C([C@@H]([C
    @@H]([C@H]2O)O)O)CO; OCC1=C[C@H](Oc2cc(F
    )cc(F)c2)[C@H](O)[C@@H](O)[C@H]1O    		 (1~{R},2~{S},3~{S},6~{S})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol
    20493 F9X 4 C13 H21 N2 O8 P InChI=1S/C13H21N2O8P/c1-3
    -10(16)11(13(18)19)15-5-9
    -8(6-23-24(20,21)22)4-14-
    7(2)12(9)17/h4,10-11,15-1
    7H,3,5-6H2,1-2H3,(H,18,19
    )(H2,20,21,22)/t10-,11+/m
    1/s1;
    BXUMTZWSUSTQMU-MNOVXSKESA-N    		 CC[C@H]([C@@H](C(=O)O)NCc1c(cnc(c1O)C)CO
    P(=O)(O)O)O; CC[CH](O)[CH](NCc1c(O)c(C)n
    cc1CO[P](O)(O)=O)C(O)=O; CCC(C(C(=O)O)NC
    c1c(cnc(c1O)C)COP(=O)(O)O)O; CC[C@@H](O)
    [C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)
    =O    		 (2S,3R)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-3-oxidanyl-pentanoic acid
    20494 F9Y
    ZINC000002566051    		 4 C9 H6 N2 InChI=1S/C9H6N2/c10-6-7-1
    -2-8-3-4-11-9(8)5-7/h1-5,
    11H;
    SZSZDBFJCQKTRG-UHFFFAOYSA-N    		 N#Cc1ccc2cc[nH]c2c1; c1cc(cc2c1cc[nH]2)C
    #N; C(c2ccc1ccnc1c2)#N    		 1H-indole-6-carbonitrile
    20495 F9Z
    CHEMBL1709089
    ZINC000018825328    		 3 C21 H20 Cl N O5 InChI=1S/C21H20ClNO5/c1-2
    3-7-6-12(17(27)10-23)19-1
    4(24)8-15(25)20-16(26)9-1
    8(28-21(19)20)11-4-2-3-5-
    13(11)22/h2-5,8-9,12,17,2
    4-25,27H,6-7,10H2,1H3/t12
    -,17-/m0/s1;
    BIIVYFLTOXDAOV-SJCJKPOMSA-N    		 CN1CC[C@@H]([C@H](C1)O)c2c(cc(c3c2OC(=CC
    3=O)c4ccccc4Cl)O)O; CN1CC[C@@H]([C@@H](O
    )C1)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccccc4C
    l; CN1CCC(C(C1)O)c2c(cc(c3c2OC(=CC3=O)c4
    ccccc4Cl)O)O; CN1CC[CH]([CH](O)C1)c2c(O)
    cc(O)c3C(=O)C=C(Oc23)c4ccccc4Cl    		 2-(2-chlorophenyl)-8-[(3~{R},4~{R})-1-methyl-3-oxidanyl-piperidin-4-yl]-5,7-bis(oxidanyl)chromen-4-one
    20496 FA 0 C19 H19 N7 O6 InChI=1/C19H19N7O6/c20-19
    -25-15-14(17(30)26-19)23-
    11(8-22-15)7-21-10-3-1-9(
    2-4-10)16(29)24-12(18(31)
    32)5-6-13(27)28/h1-4,8,12
    ,21H,5-7H2,(H,24,29)(H,27
    ,28)(H,31,32)(H3,20,22,25
    ,26,30)/t12-/m0/s1/f/h24-
    25,27,31H,20H2;
    OVBPIULPVIDEAO-MIBLXQRJDO    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC
    c2cnc3c(n2)C(=O)N=C(N3)N; c1cc(ccc1C(=O)
    NC(CCC(=O)O)C(=O)O)NCc2cnc3c(n2)C(=O)N=C
    (N3)N; NC1=NC(=O)c2nc(CNc3ccc(cc3)C(=O)N
    [CH](CCC(O)=O)C(O)=O)cnc2N1; NC1=NC(=O)c
    2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(
    O)=O)cnc2N1; O=C(O)C(NC(=O)c1ccc(cc1)NCc
    2nc3c(nc2)NC(=NC3=O)N)CCC(=O)O    		 FOLIC ACID
    20497 FA0
    ZINC000000389796    		 8 C7 H6 F N O2 InChI=1S/C7H6FNO2/c8-4-1-
    2-5(7(10)11)6(9)3-4/h1-3H
    ,9H2,(H,10,11);
    LGPVTNAJFDUWLF-UHFFFAOYSA-N    		 c1cc(c(cc1F)N)C(=O)O; O=C(O)c1ccc(F)cc1N
    ; Nc1cc(F)ccc1C(O)=O    		 2-amino-4-fluorobenzoic acid
    20498 FA1
    CHEMBL190265
    DB02801    		 49 C7 H10 O5 InChI=1S/C7H10O5/c8-4-1-2
    -7(12,6(10)11)3-5(4)9/h1-
    2,4-5,8-9,12H,3H2,(H,10,1
    1)/t4-,5-,7+/m1/s1;
    VTEDVYGIJPLVFF-XAHCXIQSSA-N    		 C1C(C(C=CC1(C(=O)O)O)O)O; C1[C@H]([C@@H]
    (C=C[C@]1(C(=O)O)O)O)O; O[C@@H]1C[C@@](O
    )(C=C[C@H]1O)C(O)=O; O=C(O)C1(O)C=CC(O)C
    (O)C1; O[CH]1C[C](O)(C=C[CH]1O)C(O)=O    		 2,3 -ANHYDRO-QUINIC ACID
    20499 FA2
    DB02454
    ZINC000058638540    		 1 C9 H12 N5 O6 P InChI=1S/C9H12N5O6P/c10-7
    -5-8(12-2-11-7)14(3-13-5)
    9-6(15)4(1-19-9)20-21(16,
    17)18/h2-4,6,9,15H,1H2,(H
    2,10,11,12)(H2,16,17,18)/
    t4-,6+,9+/m0/s1;
    IJEJRDCFMFEDGL-AFEQZKEHSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H](CO3
    )OP(=O)(O)O)O)N; Nc1ncnc2n(cnc12)[CH]3OC
    [CH](O[P](O)(O)=O)[CH]3O; Nc1ncnc2n(cnc1
    2)[C@@H]3OC[C@H](O[P](O)(O)=O)[C@H]3O; c
    1nc(c2c(n1)n(cn2)C3C(C(CO3)OP(=O)(O)O)O)
    N; O=P(O)(O)OC3COC(n2cnc1c(ncnc12)N)C3O    		 5-(6-AMINO-9H-PURIN-9-YL)-4-HYDROXYTETRAHYDROFURAN-3-YL DIHYDROGEN PHOSPHATE
    20500 FA3
    CHEMBL365468
    DB02786    		 12 C7 H9 F O5 InChI=1S/C7H9FO5/c8-3-1-7
    (13,6(11)12)2-4(9)5(3)10/
    h1,4-5,9-10,13H,2H2,(H,11
    ,12)/t4-,5-,7+/m1/s1;
    DGZQZSSRYAJDAX-XAHCXIQSSA-N    		 O[CH]1C[C](O)(C=C(F)[CH]1O)C(O)=O; O[C@@
    H]1C[C@@](O)(C=C(F)[C@H]1O)C(O)=O; FC1=C
    C(O)(C(=O)O)CC(O)C1O; C1[C@H]([C@@H](C(=
    C[C@]1(C(=O)O)O)F)O)O; C1C(C(C(=CC1(C(=O
    )O)O)F)O)O    		 2-ANHYDRO-3-FLUORO-QUINIC ACID
    20501 FA4
    ZINC000003821563    		 4 C24 H42 N6 O3 InChI=1S/C24H42N6O3/c25-1
    7-11-10-15-21(23(32)30-33
    )29-22(31)16-7-5-3-1-2-4-
    6-12-19-13-8-9-14-20(19)1
    8-28-24(26)27/h8-9,13-14,
    21,33H,1-7,10-12,15-18,25
    H2,(H,29,31)(H,30,32)(H4,
    26,27,28)/t21-/m1/s1;
    DPKFTMHWVJEOMW-OAQYLSRUSA-N    		 NCCCC[CH](NC(=O)CCCCCCCCCc1ccccc1CNC(N)=
    N)C(=O)NO; [H]N=C(N)NCc1ccccc1CCCCCCCCCC
    (=O)NC(CCCCN)C(=O)NO; NCCCC[C@@H](NC(=O)
    CCCCCCCCCc1ccccc1CNC(N)=N)C(=O)NO; O=C(N
    O)C(NC(=O)CCCCCCCCCc1ccccc1CNC(=[N@H])N)
    CCCCN; [H]/N=C(/N)\NCc1ccccc1CCCCCCCCCC(
    =O)N[C@H](CCCCN)C(=O)NO    		 SM-25453;
    (2-(9-((R)-1-(HYDROXYCARBAMOYL)-5-AMINOPENTYLCARBAMOYL)NONYL)BENZYL)GUANIDINE;
    GUANIDINOMETHYLBENZIL D-LYSINE HYDROXAMATE
    20502 FA5
    ZINC000031539924    		 4 C19 H23 N6 O8 P InChI=1S/C19H23N6O8P/c20-
    11(6-10-4-2-1-3-5-10)19(2
    8)33-34(29,30)31-7-12-14(
    26)15(27)18(32-12)25-9-24
    -13-16(21)22-8-23-17(13)2
    5/h1-5,8-9,11-12,14-15,18
    ,26-27H,6-7,20H2,(H,29,30
    )(H2,21,22,23)/t11-,12+,1
    4+,15+,18+/m0/s1;
    ZFNOOEXYTZPIQS-URQYDQELSA-N    		 O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O
    )C3O)C(N)Cc4ccccc4; c1ccc(cc1)CC(C(=O)OP
    (=O)(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N
    ; N[CH](Cc1ccccc1)C(=O)O[P](O)(=O)OC[CH]
    2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34; c
    1ccc(cc1)C[C@@H](C(=O)O[P@@](=O)(O)OC[C@
    @H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N
    )O)O)N; N[C@@H](Cc1ccccc1)C(=O)O[P@](O)(
    =O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc
    4c(N)ncnc34    		 ADENOSINE-5'-[PHENYLALANINYL-PHOSPHATE]
    20503 FA6
    CHEMBL363381
    DB03739    		 1 C7 H11 N O6 InChI=1S/C7H11NO6/c9-4-2-
    7(13,6(11)12)1-3(8-14)5(4
    )10/h4-5,9-10,13-14H,1-2H
    2,(H,11,12)/b8-3+/t4-,5-,
    7+/m1/s1;
    WASIBXJFRXJWAR-GKQOBJDDSA-N    		 O=C(O)C1(O)CC(=N\O)/C(O)C(O)C1; C1[C@H](
    [C@@H](/C(=N/O)/C[C@]1(C(=O)O)O)O)O; ON=
    C1C[C](O)(C[CH](O)[CH]1O)C(O)=O; O\N=C1/
    C[C@](O)(C[C@@H](O)[C@@H]1O)C(O)=O; C1C(
    C(C(=NO)CC1(C(=O)O)O)O)O    		 3-HYDROXYIMINO QUINIC ACID
    20504 FA7 0 C9 H14 O2 InChI=1S/C9H14O2/c1-8(2)6
    -4-3-5-7-9(10)11/h3-5,7-8
    H,6H2,1-2H3,(H,10,11)/b4-
    3+,7-5-;
    ZPJFGJWTSDWBST-BZDQXIRASA-N    		 CC(C)CC=CC=CC(=O)O; CC(C)C\C=C\C=C/C(=O)
    O; O=C(O)/C=C\C=C\CC(C)C; CC(C)CC=CC=CC(
    O)=O; CC(C)C\C=C\C=C/C(O)=O    		 (2Z,4E)-7-methylocta-2,4-dienoic acid
    20505 FA8
    ZINC000098208864    		 6 C27 H35 N9 O15 P2 InChI=1S/C27H35N9O15P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-18(32-12)25(42)34-27(4
    3)33-24)5-14(37)19(39)15(
    38)6-48-52(44,45)51-53(46
    ,47)49-7-16-20(40)21(41)2
    6(50-16)36-9-31-17-22(28)
    29-8-30-23(17)36/h3-4,8-9
    ,14-16,18-21,26,32,37-41H
    ,5-7H2,1-2H3,(H,44,45)(H,
    46,47)(H2,28,29,30)(H,34,
    42,43)/t14-,15+,16+,18-,1
    9-,20+,21+,26+/m0/s1;
    SDBHOOIZTSVSKT-LDVRFEIFSA-N    		 Cc1cc2N[CH]3C(=O)NC(=O)N=C3N(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)c2
    cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3N2
    )CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)
    n5cnc6c5ncnc6N)O)O)O)O)O; Cc1cc2N[C@@H]3
    C(=O)NC(=O)N=C3N(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)ncnc56)c2cc1C
    ; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)[C@H]3N2
    )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=C2NC(=O)N=C3
    N(c1cc(c(cc1NC23)C)C)CC(O)C(O)C(O)COP(=O
    )(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O
    )C6O    		 [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE
    20506 FA9
    ZINC000263620959    		 1 C36 H43 N9 O16 P2 InChI=1S/C36H43N9O16P2/c1
    -16-8-20-21(9-17(16)2)45-
    25(48)10-19(18-6-4-3-5-7-
    18)36(45)33(41-35(53)42-3
    4(36)52)43(20)11-22(46)27
    (49)23(47)12-58-62(54,55)
    61-63(56,57)59-13-24-28(5
    0)29(51)32(60-24)44-15-40
    -26-30(37)38-14-39-31(26)
    44/h3-9,14-15,19,22-24,27
    -29,32-33,46-47,49-51H,10
    -13H2,1-2H3,(H,54,55)(H,5
    6,57)(H2,37,38,39)(H2,41,
    42,52,53)/t19-,22+,23-,24
    -,27+,28-,29-,32-,33-,36+
    /m1/s1;
    QWOOVYWBGZGGNV-ITRBMUPBSA-N    		 Cc1cc2c(cc1C)N3C(=O)CC(C34C(N2CC(C(C(COP
    (=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncn
    c7N)O)O)O)O)O)NC(=O)NC4=O)c8ccccc8; Cc1c
    c2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[
    P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cn
    c5c(N)ncnc45)[CH]6NC(=O)NC(=O)[C]67[CH](
    CC(=O)N7c2cc1C)c8ccccc8; Cc1cc2c(cc1C)N3
    C(=O)CC([C@@]34[C@@H](N2C[C@@H]([C@@H]([
    C@@H](COP(=O)(O)OP(=O)(O)OC[C@@H]5[C@H](
    [C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)O)O)O
    )NC(=O)NC4=O)c8ccccc8; Cc1cc2N(C[C@H](O)
    [C@H](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)O
    C[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N
    )ncnc45)[C@H]6NC(=O)NC(=O)[C@]67[C@H](CC
    (=O)N7c2cc1C)c8ccccc8; O=C4N2c1cc(c(cc1N
    (C5NC(=O)NC(=O)C25C(c3ccccc3)C4)CC(O)C(O
    )C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(n
    cnc67)N)C(O)C8O)C)C    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(3R,3aS,7aR)-10,11-dimethyl-1,4,6-trioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
    20507 FAA 2 C34 H39 N9 O16 P2 InChI=1S/C34H39N9O16P2/c1
    -15-7-19-20(8-16(15)2)42(
    31-25(32(50)40-34(51)39-3
    1)41(19)9-17-3-5-18(44)6-
    4-17)10-21(45)26(47)22(46
    )11-56-60(52,53)59-61(54,
    55)57-12-23-27(48)28(49)3
    3(58-23)43-14-38-24-29(35
    )36-13-37-30(24)43/h3-8,1
    3-14,21-23,26-28,33,45-49
    H,9-12H2,1-2H3,(H5-,35,36
    ,37,40,44,50,51,52,53,54,
    55)/t21-,22+,23+,26-,27+,
    28+,33+/m0/s1;
    MEBQXAOFZPAVFQ-RAWNUJITSA-N    		 Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P]([O-]
    )(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]
    3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)C6=[N
    +](Cc7ccc(O)cc7)c2cc1C; Cc1cc2c(cc1C)[N+
    ](=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)([O-
    ])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O
    )O)O)O)O)Cc7ccc(cc7)O; Cc1cc2c(cc1C)[N+]
    (=C3C(=O)NC(=O)N=C3N2C[C@@H]([C@@H]([C@@
    H](COP(=O)([O-])O[P@](=O)(O)OC[C@@H]4[C@
    H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)
    O)O)Cc7ccc(cc7)O; Cc1cc2N(C[C@H](O)[C@H]
    (O)[C@H](O)CO[P]([O-])(=O)O[P](O)(=O)OC[
    C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)n
    cnc45)C6=NC(=O)NC(=O)C6=[N+](Cc7ccc(O)cc
    7)c2cc1C    		 N5-(4-HYDROXYBENZYL)FLAVIN-ADENINE DINUCLEOTIDE
    20508 FAB 10 C31 H39 N9 O16 P2 InChI=1S/C31H39N9O16P2/c1
    -12(2)29(47)40-16-6-14(4)
    13(3)5-15(16)38(27-21(40)
    28(46)37-31(48)36-27)7-17
    (41)22(43)18(42)8-53-57(4
    9,50)56-58(51,52)54-9-19-
    23(44)24(45)30(55-19)39-1
    1-35-20-25(32)33-10-34-26
    (20)39/h5-6,10-12,17-19,2
    2-24,30,41-45H,7-9H2,1-4H
    3,(H4-,32,33,34,37,46,48,
    49,50,51,52)/t17-,18+,19+
    ,22-,23+,24+,30+/m0/s1;
    VVZGWZAMSAFRNS-UYOVOMPXSA-N    		 CC(C)C(=O)[N+]1=C2C(=O)NC(=O)N=C2N(C[C@H
    ](O)[C@H](O)[C@H](O)CO[P]([O-])(=O)O[P](
    O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4
    cnc5c(N)ncnc45)c6cc(C)c(C)cc16; Cc1cc2c(
    cc1C)[N+](=C3C(=O)NC(=O)N=C3N2C[C@@H]([C
    @@H]([C@@H](COP(=O)([O-])O[P@](=O)(O)OC[
    C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc
    6N)O)O)O)O)O)C(=O)C(C)C; Cc1cc2c(cc1C)[N
    +](=C3C(=O)NC(=O)N=C3N2CC(C(C(COP(=O)([O
    -])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)
    O)O)O)O)O)C(=O)C(C)C; CC(C)C(=O)[N+]1=C2
    C(=O)NC(=O)N=C2N(C[CH](O)[CH](O)[CH](O)C
    O[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([C
    H](O)[CH]3O)n4cnc5c(N)ncnc45)c6cc(C)c(C)
    cc16    		 FLAVIN-ADENINE DINUCLEOTIDE-N5-ISOBUTYL KETONE
    20509 FAC
    CHEMBL84242
    DB02922    		 1 C3 H2 F6 O2 InChI=1S/C3H2F6O2/c4-2(5,
    6)1(10,11)3(7,8)9/h10-11H;
    AKVXSYUWYXOLMY-UHFFFAOYSA-N    		 C(C(F)(F)F)(C(F)(F)F)(O)O; FC(F)(F)C(O)(
    O)C(F)(F)F; OC(O)(C(F)(F)F)C(F)(F)F    		 1,1,1,3,3,3-HEXAFLUOROPROPANEDIOL;
    HEXAFLUOROACETONE HYDRATE
    20510 FAD
    CHEMBL1232653
    DB03147
    ZINC000008215434    		 7419 C27 H33 N9 O15 P2 InChI=1S/C27H33N9O15P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-18(32-12)25(42)34-27(4
    3)33-24)5-14(37)19(39)15(
    38)6-48-52(44,45)51-53(46
    ,47)49-7-16-20(40)21(41)2
    6(50-16)36-9-31-17-22(28)
    29-8-30-23(17)36/h3-4,8-9
    ,14-16,19-21,26,37-41H,5-
    7H2,1-2H3,(H,44,45)(H,46,
    47)(H2,28,29,30)(H,34,42,
    43)/t14-,15+,16+,19-,20+,
    21+,26+/m0/s1;
    VWWQXMAJTJZDQX-UYBVJOGSSA-N    		 Cc1cc2N=C3C(=O)NC(=O)N=C3N(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)
    ncnc56)c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)N
    C(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC
    4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O)O; Cc1c
    c2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)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)n5cnc6c5n
    cnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)NC(=O)N=
    C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[
    P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cn
    c6c(N)ncnc56)c2cc1C; O=C2C3=Nc1cc(c(cc1N
    (C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=
    O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C    		 FLAVIN-ADENINE DINUCLEOTIDE
    20511 FAE
    DB02332    		 4 C27 H34 N9 O15 P2 InChI=1S/C27H33N9O15P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-18(32-12)25(42)34-27(4
    3)33-24)5-14(37)19(39)15(
    38)6-48-52(44,45)51-53(46
    ,47)49-7-16-20(40)21(41)2
    6(50-16)36-9-31-17-22(28)
    29-8-30-23(17)36/h3-4,8-9
    ,14-16,19-21,26,37-41H,5-
    7H2,1-2H3,(H,44,45)(H,46,
    47)(H2,28,29,30)(H,34,42,
    43)/p+1/t14-,15+,16+,19-,
    20+,21+,26+/m0/s1;
    VWWQXMAJTJZDQX-UYBVJOGSSA-O    		 Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](
    O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]4O
    [CH]([CH](O)[CH]4O)n5c[nH+]c6c(N)ncnc56)
    c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3
    =N2)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)n5c[nH+]c6c5ncnc6N)O)O)O)O)O; Cc1cc2N
    =C3C(=O)NC(=O)N=C3N(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)n5c[nH+]c6c(N)ncnc56
    )c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C
    3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C
    (O4)n5c[nH+]c6c5ncnc6N)O)O)O)O)O; O=C2C3
    =Nc1cc(c(cc1N(C3=NC(=O)N2)CC(O)C(O)C(O)C
    OP(=O)(O)OP(=O)(O)OCC6OC(n5c[nH+]c4c(ncn
    c45)N)C(O)C6O)C)C    		 FLAVIN-N7 PROTONATED-ADENINE DINUCLEOTIDE
    20512 FAF
    DB07749
    ZINC000003874344    		 2 C17 H24 N2 O3 InChI=1S/C17H24N2O3/c1-12
    (2)9-16(18-13(3)21)17(22)
    19-15(11-20)10-14-7-5-4-6
    -8-14/h4-8,11-12,15-16H,9
    -10H2,1-3H3,(H,18,21)(H,1
    9,22)/t15-,16-/m0/s1;
    QRDDFQYJOFVDNR-HOTGVXAUSA-N    		 CC(C)C[CH](NC(C)=O)C(=O)N[CH](Cc1ccccc1)
    C=O; CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](Cc
    1ccccc1)C=O; O=C(NC(C(=O)NC(C=O)Cc1ccccc
    1)CC(C)C)C; CC(C)C[C@@H](C(=O)N[C@@H](Cc
    1ccccc1)C=O)NC(=O)C; CC(C)CC(C(=O)NC(Cc1
    ccccc1)C=O)NC(=O)C    		 2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-FORMYL-2-PHENYL-ETHYL)-AMIDE
    20513 FAG
    ZINC000058632458    		 0 C27 H28 N5 O15 P InChI=1S/C27H28N5O15P/c1-
    42-11-5-12-17(21-16(11)8-
    2-3-9(34)15(8)25(38)46-21
    )18-20(36)24(47-26(18)45-
    12)32(7-33)19-22(30-27(28
    )31-23(19)37)29-14-4-10(3
    5)13(44-14)6-43-48(39,40)
    41/h5,7,10,13-14,18,20,24
    ,26,35-36H,2-4,6H2,1H3,(H
    2,39,40,41)(H4,28,29,30,3
    1,37)/t10-,13+,14+,18+,20
    +,24+,26-/m0/s1;
    ATYDIVLPRYGUHN-MHRKVAGWSA-N    		 COc1cc2c(c3c1C4=C(C(=O)CC4)C(=O)O3)C5C(C
    (OC5O2)N(C=O)C6=C(N=C(NC6=O)N)NC7CC(C(O7
    )COP(=O)(O)O)O)O; COc1cc2O[CH]3O[CH]([CH
    ](O)[CH]3c2c4OC(=O)C5=C(CCC5=O)c14)N(C=O
    )C6=C(N[CH]7C[CH](O)[CH](CO[P](O)(O)=O)O
    7)N=C(N)NC6=O; O=P(O)(O)OCC7OC(NC=1N=C(N
    )NC(=O)C=1N(C=O)C5OC6Oc4cc(OC)c3c(OC(=O)
    C=2C(=O)CCC=23)c4C6C5O)CC7O; COc1cc2c(c3
    c1C4=C(C(=O)CC4)C(=O)O3)[C@@H]5[C@H]([C@
    @H](O[C@@H]5O2)N(C=O)C6=C(N=C(NC6=O)N)N[
    C@H]7C[C@@H]([C@H](O7)COP(=O)(O)O)O)O; C
    Oc1cc2O[C@H]3O[C@H]([C@H](O)[C@H]3c2c4OC
    (=O)C5=C(CCC5=O)c14)N(C=O)C6=C(N[C@H]7C[
    C@H](O)[C@@H](CO[P](O)(O)=O)O7)N=C(N)NC6
    =O    		 [1',2'-DIDEOXY[2-AMINO-5-([9-HYDROXY-AFLATOXINB2-8-YL]-FORMYL-AMINO)-6-OXO-1,6-IHYDRO-PYRIMIDIN-4-YLAMINO]-RIBOFURANOSE]-5-MONOPHOSPHATE GROUP
    20514 FAH
    CHEMBL509273
    ZINC000004658594    		 67 C2 H3 F O2 InChI=1S/C2H3FO2/c3-1-2(4
    )5/h1H2,(H,4,5);
    QEWYKACRFQMRMB-UHFFFAOYSA-N    		 OC(=O)CF; C(C(=O)O)F; FCC(=O)O fluoroacetic acid
    20515 FAI
    CHEMBL521310    		 1 C10 H15 N4 O9 P InChI=1S/C10H15N4O9P/c11-
    8(18)5-9(13-3-15)14(2-12-
    5)10-7(17)6(16)4(23-10)1-
    22-24(19,20)21/h2-4,6-7,1
    0,16-17H,1H2,(H2,11,18)(H
    ,13,15)(H2,19,20,21)/t4-,
    6-,7-,10-/m1/s1;
    ABCOOORLYAOBOZ-KQYNXXCUSA-N    		 c1nc(c(n1[C@H]2[C@@H]([C@@H]([C@H](O2)CO
    P(=O)(O)O)O)O)NC=O)C(=O)N; O=CNc1c(ncn1C
    2OC(C(O)C2O)COP(=O)(O)O)C(=O)N; c1nc(c(n
    1C2C(C(C(O2)COP(=O)(O)O)O)O)NC=O)C(=O)N;
    NC(=O)c1ncn([CH]2O[CH](CO[P](O)(O)=O)[C
    H](O)[CH]2O)c1NC=O; NC(=O)c1ncn([C@@H]2O
    [C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O)c1N
    C=O    		 5-(formylamino)-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxamide
    20516 FAJ
    ZINC000263620555    		 2 C36 H43 N9 O16 P2 InChI=1S/C36H43N9O16P2/c1
    -16-8-20-21(9-17(16)2)45-
    25(48)10-19(18-6-4-3-5-7-
    18)36(45)33(41-35(53)42-3
    4(36)52)43(20)11-22(46)27
    (49)23(47)12-58-62(54,55)
    61-63(56,57)59-13-24-28(5
    0)29(51)32(60-24)44-15-40
    -26-30(37)38-14-39-31(26)
    44/h3-9,14-15,19,22-25,27
    -29,32,46-51H,10-13H2,1-2
    H3,(H,54,55)(H,56,57)(H2,
    37,38,39)(H,42,52,53)/t19
    -,22+,23-,24-,25-,27+,28-
    ,29-,32-,36+/m1/s1;
    ILGFMEOMSHHKRB-LHVNJQMSSA-N    		 Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O
    )(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[
    C@@H]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)
    [C@]67[C@H](C[C@@H](O)N7c2cc1C)c8ccccc8;
    O=C4NC(=O)N=C5N(c1cc(c(cc1N3C(O)CC(c2cc
    ccc2)C345)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(
    =O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O; C
    c1cc2c(cc1C)N3C(CC(C34C(=O)NC(=O)N=C4N2C
    C(C(C(COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6
    cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O; Cc1cc
    2c(cc1C)N3[C@@H](C[C@@H]([C@]34C(=O)NC(=
    O)N=C4N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)
    OP(=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H](O5)
    n6cnc7c6ncnc7N)O)O)O)O)O)c8ccccc8)O; Cc1
    cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O
    [P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4c
    nc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C
    [CH](O)N7c2cc1C)c8ccccc8    		 FAD-trans-2-Phenylcyclopropylamine Adduct;
    FAD-PCPA Adduct
    20517 FAK
    ZINC000002384794    		 0 C8 H13 F3 N2 O3 InChI=1S/C8H13F3N2O3/c9-8
    (10,11)7(16)13-4-2-1-3-5(
    12)6(14)15/h5H,1-4,12H2,(
    H,13,16)(H,14,15)/t5-/m0/
    s1;
    PZZHRSVBHRVIMI-YFKPBYRVSA-N    		 C(CCNC(=O)C(F)(F)F)C[C@@H](C(=O)O)N; C(C
    CNC(=O)C(F)(F)F)CC(C(=O)O)N; N[CH](CCCCN
    C(=O)C(F)(F)F)C(O)=O; O=C(O)C(N)CCCCNC(=
    O)C(F)(F)F; N[C@@H](CCCCNC(=O)C(F)(F)F)C
    (O)=O    		 N~6~-(trifluoroacetyl)-L-lysine
    20518 FAL
    DB07750
    ZINC000000602494    		 1 C21 H23 Cl2 N5 O2 InChI=1S/C21H23Cl2N5O2/c1
    -28(2)12-16(29)13-30-17-6
    -4-15(5-7-17)25-21-24-10-
    9-20(27-21)26-19-11-14(22
    )3-8-18(19)23/h3-11,16,29
    H,12-13H2,1-2H3,(H2,24,25
    ,26,27)/t16-/m1/s1;
    GNLAGGCSJGJECE-MRXNPFEDSA-N    		 CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc
    3Cl)Cl)O; CN(C)C[C@H](COc1ccc(cc1)Nc2ncc
    c(n2)Nc3cc(ccc3Cl)Cl)O; Clc1cc(c(Cl)cc1)
    Nc2nc(ncc2)Nc3ccc(OCC(O)CN(C)C)cc3; CN(C
    )C[CH](O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl
    )n2)cc1; CN(C)C[C@@H](O)COc1ccc(Nc2nccc(
    Nc3cc(Cl)ccc3Cl)n2)cc1    		 (2R)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
    20519 FAM
    ZINC000098208865    		 1 C23 H38 F N8 O17 P3 InChI=1S/C23H38FN8O17P3/c
    1-23(2,17(35)21(37)28-6-4
    -13(33)27-5-3-11(24)19(26
    )36)8-46-52(43,44)49-51(4
    1,42)45-7-12-16(48-50(38,
    39)40)15(34)22(47-12)32-1
    0-31-14-18(25)29-9-30-20(
    14)32/h9-12,15-17,22,34-3
    5H,3-8H2,1-2H3,(H2,26,36)
    (H,27,33)(H,28,37)(H,41,4
    2)(H,43,44)(H2,25,29,30)(
    H2,38,39,40)/t11-,12-,15-
    ,16-,17+,22-/m1/s1;
    AXBPCHJFKHSRQL-SYSIYMLXSA-N    		 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@H](C(=O)NCCC(=O)NCC[C@H](C
    (=O)N)F)O; CC(C)(CO[P](O)(=O)O[P](O)(=O)
    OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2
    cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCC[C
    H](F)C(N)=O; CC(C)(COP(=O)(O)OP(=O)(O)OC
    C1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C
    (C(=O)NCCC(=O)NCCC(C(=O)N)F)O; CC(C)(CO[
    P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H]
    (O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)
    [C@@H](O)C(=O)NCCC(=O)NCC[C@@H](F)C(N)=O
    ; O=C(N)C(F)CCNC(=O)CCNC(=O)C(O)C(C)(C)C
    OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)
    N)C(O)C3OP(=O)(O)O    		 ALPHA-FLUORO-AMIDOCARBOXYMETHYLDETHIA COENZYME A COMPLEX
    20520 FAN
    CHEMBL1232659
    ZINC000013550498    		 2 C7 H7 N O InChI=1S/C7H7NO/c9-6-8-7-
    4-2-1-3-5-7/h1-6H,(H,8,9);
    DYDNPESBYVVLBO-UHFFFAOYSA-N    		 O=CNc1ccccc1; c1ccc(cc1)NC=O FORMANILIDE
    20521 FAO
    ZINC000098208866    		 6 C27 H37 N9 O15 P2 InChI=1S/C27H37N9O15P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-18(32-12)25(42)34-27(4
    3)33-24)5-14(37)19(39)15(
    38)6-48-52(44,45)51-53(46
    ,47)49-7-16-20(40)21(41)2
    6(50-16)36-9-31-17-22(28)
    29-8-30-23(17)36/h3-4,8-9
    ,14-16,18-21,24,26,32,37-
    41H,5-7H2,1-2H3,(H,44,45)
    (H,46,47)(H2,28,29,30)(H2
    ,33,34,42,43)/t14-,15+,16
    +,18-,19-,20+,21+,24+,26+
    /m0/s1;
    VSWYNLHGQAGAHX-AWYOOINRSA-N    		 Cc1cc2N[C@H]3[C@H](NC(=O)NC3=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)n5cn
    c6c(N)ncnc56)c2cc1C; Cc1cc2c(cc1C)[N@@](
    [C@@H]3[C@H](N2)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)n5cnc6c5ncn
    c6N)O)O)O)O)O; O=C2NC(=O)NC3N(c1cc(c(cc1
    NC23)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O
    )OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O; Cc1cc2
    c(cc1C)N(C3C(N2)C(=O)NC(=O)N3)CC(C(C(COP
    (=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncn
    c6N)O)O)O)O)O; Cc1cc2N[CH]3[CH](NC(=O)NC
    3=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)n5
    cnc6c(N)ncnc56)c2cc1C    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(4aS,10aR)-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
    20522 FAP
    DB07751
    ZINC000003581447    		 1 C21 H23 F2 N5 O2 InChI=1S/C21H23F2N5O2/c1-
    28(2)11-15(29)12-30-16-8-
    6-14(7-9-16)26-19-10-20(2
    5-13-24-19)27-21-17(22)4-
    3-5-18(21)23/h3-10,13,15,
    29H,11-12H2,1-2H3,(H2,24,
    25,26,27)/t15-/m0/s1;
    ZVSBKYYVBCKDBO-HNNXBMFYSA-N    		 CN(C)C[C@@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c
    (cccc3F)F)O; CN(C)C[C@H](O)COc1ccc(Nc2cc
    (Nc3c(F)cccc3F)ncn2)cc1; CN(C)C[CH](O)CO
    c1ccc(Nc2cc(Nc3c(F)cccc3F)ncn2)cc1; CN(C
    )CC(COc1ccc(cc1)Nc2cc(ncn2)Nc3c(cccc3F)F
    )O; Fc1cccc(F)c1Nc3ncnc(Nc2ccc(OCC(O)CN(
    C)C)cc2)c3    		 (2S)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
    20523 FAQ 2 C29 H42 N7 O17 P3 S InChI=1S/C29H42N7O17P3S/c
    1-29(2,24(40)27(41)32-9-8
    -19(37)31-10-11-57-20(38)
    12-17-6-4-3-5-7-17)14-50-
    56(47,48)53-55(45,46)49-1
    3-18-23(52-54(42,43)44)22
    (39)28(51-18)36-16-35-21-
    25(30)33-15-34-26(21)36/h
    3-7,15-16,18,22-24,28,39-
    40H,8-14H2,1-2H3,(H,31,37
    )(H,32,41)(H,45,46)(H,47,
    48)(H2,30,33,34)(H2,42,43
    ,44)/t18-,22-,23-,24+,28-
    /m1/s1;
    ZIGIFDRJFZYEEQ-CECATXLMSA-N    		 CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C
    @H]([C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(
    N)ncnc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)
    Cc4ccccc4; CC(C)(CO[P](O)(=O)O[P](O)(=O)
    OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2
    cnc3c(N)ncnc23)[CH](O)C(=O)NCCC(=O)NCCSC
    (=O)Cc4ccccc4; CC(C)(CO[P@](=O)(O)O[P@@]
    (=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCC
    C(=O)NCCSC(=O)Cc4ccccc4)O; CC(C)(COP(=O)
    (O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)
    O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)Cc4
    ccccc4)O; O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(
    C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc
    12)N)C(O)C3OP(=O)(O)O)Cc4ccccc4    		 Phenylacetyl coenzyme A
    20524 FAR 66 C15 H26 InChI=1S/C15H26/c1-6-14(4
    )10-8-12-15(5)11-7-9-13(2
    )3/h6,9,12H,7-8,10-11H2,1
    -5H3/b14-6+,15-12+;
    JXBSHSBNOVLGHF-BUJBXKITSA-N    		 CC=C(C)CCC=C(C)CCC=C(C)C; C\C=C(/C)\CC\C
    =C(/C)\CCC=C(C)C; C\C=C(C)\CC\C=C(C)\CCC
    =C(C)C; C(=C/C)(\CC/C=C(/CC/C=C(\C)C)C)C    		 FARNESYL
    20525 FAS
    ZINC000008215440    		 9 C27 H33 N9 O15 P2 InChI=1S/C27H33N9O15P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-18(32-12)25(42)34-27(4
    3)33-24)5-14(37)19(39)15(
    38)6-48-52(44,45)51-53(46
    ,47)49-7-16-20(40)21(41)2
    6(50-16)36-9-31-17-22(28)
    29-8-30-23(17)36/h3-4,8-9
    ,14-16,19-21,26,37-41H,5-
    7H2,1-2H3,(H,44,45)(H,46,
    47)(H2,28,29,30)(H,34,42,
    43)/t14-,15-,16-,19+,20-,
    21-,26-/m1/s1;
    VWWQXMAJTJZDQX-WCVIGVMNSA-N    		 Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@@H](O)[C@
    H](O)[C@H](O)CO[P@@](O)(=O)O[P@](O)(=O)O
    C[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N
    )ncnc56)c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)
    NC(=O)C3=N2)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; Cc1c
    c2c(cc1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(C
    OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5n
    cnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)NC(=O)N=
    C3N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[
    P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cn
    c6c(N)ncnc56)c2cc1C; O=C2C3=Nc1cc(c(cc1N
    (C3=NC(=O)N2)CC(O)C(O)C(O)COP(=O)(O)OP(=
    O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C    		 ARABINO-FLAVIN-ADENINE DINUCLEOTIDE
    20526 FAT 0 C16 H32 O2 InChI=1/C16H32O2/c1-2-3-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16(17)18/h2-15H2,1H3,
    (H,17,18)/f/h17H;
    IPCSVZSSVZVIGE-HCKMINDGCQ    		 CCCCCCCCCCCCCCCC(=O)O; O=C(O)CCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCC(O)=O    		 1-HEXYLDECANOIC ACID
    20527 FAV
    CHEMBL1796267
    ZINC000005050688    		 1 C19 H14 Cl N O2 S InChI=1S/C19H14ClNO2S/c1-
    21(15-8-4-3-7-14(15)20)19
    (22)17-10-12-11-23-16-9-5
    -2-6-13(16)18(12)24-17/h2
    -10H,11H2,1H3;
    PCSYEOAUKWBYOX-UHFFFAOYSA-N    		 CN(c1ccccc1Cl)C(=O)c2cc3c(s2)-c4ccccc4OC
    3; Clc1ccccc1N(C(=O)c3sc2c4ccccc4OCc2c3)
    C; CN(C(=O)c1sc2c(COc3ccccc23)c1)c4ccccc
    4Cl    		 N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
    20528 FAW
    ZINC000030731360    		 2 C31 H60 O5 InChI=1S/C31H60O5/c1-3-5-
    7-9-11-13-15-17-19-21-23-
    25-30(33)35-28-29(27-32)3
    6-31(34)26-24-22-20-18-16
    -14-12-10-8-6-4-2/h29,32H
    ,3-28H2,1-2H3/t29-/m0/s1;
    JFBCSFJKETUREV-LJAQVGFWSA-N    		 CCCCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)CCCCCC
    CCCCCCC; O=C(OCC(CO)OC(=O)CCCCCCCCCCCCC)
    CCCCCCCCCCCCC; CCCCCCCCCCCCCC(=O)OC[C@H]
    (CO)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCC(
    =O)OCC(CO)OC(=O)CCCCCCCCCCCCC    		 (2S)-3-hydroxypropane-1,2-diyl ditetradecanoate
    20529 FAX
    ZINC000098208868    		 0 C11 H18 N5 O6 P InChI=1S/C11H18N5O6P/c12-
    10-9(15-5-17)11(14-4-13-1
    0)16-7-1-6(8(18)2-7)3-22-
    23(19,20)21/h4-8,18H,1-3H
    2,(H,15,17)(H2,19,20,21)(
    H3,12,13,14,16)/t6-,7-,8+
    /m1/s1;
    DELGOZVNUACBKX-PRJMDXOYSA-N    		 c1nc(c(c(n1)NC2CC(C(C2)O)COP(=O)(O)O)NC=
    O)N; Nc1ncnc(N[CH]2C[CH](O)[CH](CO[P](O)
    (O)=O)C2)c1NC=O; Nc1ncnc(N[C@H]2C[C@H](O
    )[C@@H](CO[P](O)(O)=O)C2)c1NC=O; c1nc(c(
    c(n1)N[C@@H]2C[C@@H]([C@H](C2)O)COP(=O)(
    O)O)NC=O)N; O=P(O)(O)OCC2CC(Nc1ncnc(N)c1
    NC=O)CC2O    		 [(1R,2S,4R)-4-{[6-amino-5-(formylamino)pyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate
    20530 FAY
    ZINC000098208869    		 6 C27 H31 N9 O16 P2 InChI=1S/C27H31N9O16P2/c1
    -10-2-12-13(3-11(10)5-37)
    35(24-18(32-12)25(43)34-2
    7(44)33-24)4-14(38)19(40)
    15(39)6-49-53(45,46)52-54
    (47,48)50-7-16-20(41)21(4
    2)26(51-16)36-9-31-17-22(
    28)29-8-30-23(17)36/h2-3,
    5,8-9,14-16,19-21,26,38-4
    2H,4,6-7H2,1H3,(H,45,46)(
    H,47,48)(H2,28,29,30)(H,3
    4,43,44)/t14-,15+,16+,19-
    ,20+,21+,26+/m0/s1;
    WPPWMPSQWPJDHE-UYBVJOGSSA-N    		 Cc1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)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)n5
    cnc6c5ncnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)N
    C(=O)N=C3N(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)ncnc56)c2cc1C=O; Cc
    1cc2c(cc1C=O)N(C3=NC(=O)NC(=O)C3=N2)CC(C
    (C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)n5cnc
    6c5ncnc6N)O)O)O)O)O; Cc1cc2N=C3C(=O)NC(=
    O)N=C3N(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=O; O=Cc2c(cc3N=C
    1C(=O)NC(=O)N=C1N(c3c2)CC(O)C(O)C(O)COP(
    =O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C
    (O)C6O)C    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate;
    8-FORMYL-FLAVIN-ADENINE DINUCLEOTIDE
    20531 FAZ
    CHEMBL1796273
    ZINC000072175025    		 1 C22 H19 Cl N2 O3 S InChI=1S/C22H19ClN2O3S/c1
    -13(26)24-15-7-8-16-19(12
    -15)28-10-9-14-11-20(29-2
    1(14)16)22(27)25(2)18-6-4
    -3-5-17(18)23/h3-8,11-12H
    ,9-10H2,1-2H3,(H,24,26);
    RTUHEKLMDKJAQG-UHFFFAOYSA-N    		 Clc1ccccc1N(C(=O)c3sc2c4ccc(NC(=O)C)cc4O
    CCc2c3)C; CN(C(=O)c1sc2c(CCOc3cc(NC(C)=O
    )ccc23)c1)c4ccccc4Cl; CC(=O)Nc1ccc-2c(c1
    )OCCc3c2sc(c3)C(=O)N(C)c4ccccc4Cl    		 8-(acetylamino)-N-(2-chlorophenyl)-N-methyl-4,5-dihydrothieno[3,2-d][1]benzoxepine-2-carboxamide
    20532 FB
    ZINC000033821291    		 10 C13 H18 N2 O8 InChI=1S/C13H18N2O8/c1-11
    (21,6-17)8(18)13-10(20)14
    -12(22,9(19)15-13)7(2-4-1
    6)3-5-23-13/h2,4,8,17-18,
    21-22H,3,5-6H2,1H3,(H,14,
    20)(H,15,19)/b7-2-/t8-,11
    -,12+,13-/m0/s1;
    OWCIDQJNPLMOMK-QQMRGYPNSA-N    		 CC(CO)(C(C12C(=O)NC(C(=CC=O)CCO1)(C(=O)N
    2)O)O)O; C[C@](O)(CO)[C@H](O)[C@@]12NC(=
    O)[C@@](O)(NC1=O)\C(CCO2)=C/C=O; O=C2NC1
    (OCCC(=C\C=O)\C2(O)NC1=O)C(O)C(O)(C)CO;
    C[C@](CO)([C@@H]([C@@]12C(=O)N[C@@](C(=C
    C=O)CCO1)(C(=O)N2)O)O)O; C[C](O)(CO)[CH]
    (O)[C]12NC(=O)[C](O)(NC1=O)C(CCO2)=CC=O    		 5A-FORMYLBICYCLOMYCIN
    20533 FB0
    ZINC000098208870    		 1 C27 H49 N9 O15 P2 InChI=1S/C27H49N9O15P2/c1
    -14(4-6-28)15(2)5-7-35(12
    -33-27(43)34-16(3)37)8-17
    (38)21(40)18(39)9-48-52(4
    4,45)51-53(46,47)49-10-19
    -22(41)23(42)26(50-19)36-
    13-32-20-24(29)30-11-31-2
    5(20)36/h11,13-15,17-19,2
    1-23,26,38-42H,4-10,12,28
    H2,1-3H3,(H,44,45)(H,46,4
    7)(H2,29,30,31)(H2,33,34,
    37,43)/t14-,15+,17+,18-,1
    9-,21+,22-,23-,26-/m1/s1;
    GXAQOPQBDYJNIO-CCGDWWFSSA-N    		 O=C(NC(=O)NCN(CCC(C)C(C)CCN)CC(O)C(O)C(O
    )COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc1
    2)N)C(O)C3O)C; CC(CCN)C(C)CCN(CC(C(C(COP
    (=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn
    c3N)O)O)O)O)O)CNC(=O)NC(=O)C; C[C@H](CCN
    )[C@@H](C)CCN(CNC(=O)NC(C)=O)C[C@H](O)[C
    @H](O)[C@H](O)CO[P](O)(=O)O[P](O)(=O)OC[
    C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)n
    cnc23; C[CH](CCN)[CH](C)CCN(CNC(=O)NC(C)
    =O)C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P
    ](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc
    3c(N)ncnc23; C[C@H](CCN)[C@@H](C)CCN(C[C
    @@H]([C@@H]([C@@H](COP(=O)(O)O[P@](=O)(O
    )OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2
    ncnc3N)O)O)O)O)O)CNC(=O)NC(=O)C
    20534 FB1
    CHEMBL367983
    ZINC000000295271    		 1 C6 H6 Cl N O2 S InChI=1S/C6H6ClNO2S/c7-5-
    3-1-2-4-6(5)11(8,9)10/h1-
    4H,(H2,8,9,10);
    JCCBZCMSYUSCFM-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccccc1Cl; c1ccc(c(c1)S(=O)
    (=O)N)Cl; O=S(=O)(c1ccccc1Cl)N    		 2-CHLOROBENZENESULFONAMIDE
    20535 FB2
    CHEMBL27601
    ZINC000000330150    		 12 C6 H7 N O2 S InChI=1S/C6H7NO2S/c7-10(8
    ,9)6-4-2-1-3-5-6/h1-5H,(H
    2,7,8,9);
    KHBQMWCZKVMBLN-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)N; N[S](=O)(=O)c1cccc
    c1; O=S(=O)(N)c1ccccc1    		 benzenesulfonamide
    20536 FB4
    ZINC000058631689    		 2 C12 H9 Cl2 N O2 InChI=1S/C12H9Cl2NO2/c13-
    7-1-3-11(9(15)5-7)17-12-4
    -2-8(14)6-10(12)16/h1-6,1
    6H,15H2;
    ZNHVVJUATLQYST-UHFFFAOYSA-N    		 Nc1cc(Cl)ccc1Oc2ccc(Cl)cc2O; c1cc(c(cc1C
    l)N)Oc2ccc(cc2O)Cl    		 2-(2-amino-4-chlorophenoxy)-5-chlorophenol
    20537 FB5
    ZINC000170145029    		 1 C7 H14 B F2 N O4 InChI=1S/C7H14BF2NO4/c9-5
    (10)7(11,6(12)13)3-1-2-4-
    8(14)15/h5,14-15H,1-4,11H
    2,(H,12,13)/t7-/m1/s1;
    QIYCLWKKKPVZJC-SSDOTTSWSA-N    		 B(CCCCC(C(F)F)(C(=O)O)N)(O)O; N[C](CCCCB
    (O)O)(C(F)F)C(O)=O; B(CCCC[C@@](C(F)F)(C
    (=O)O)N)(O)O; N[C@](CCCCB(O)O)(C(F)F)C(O
    )=O; FC(F)C(N)(C(=O)O)CCCCB(O)O    		 2-(difluoromethyl)-6-(dihydroxyboranyl)-L-norleucine
    20538 FB6
    ZINC000170145026    		 1 C7 H16 B N O4 InChI=1S/C7H16BNO4/c1-7(9
    ,6(10)11)4-2-3-5-8(12)13/
    h12-13H,2-5,9H2,1H3,(H,10
    ,11)/t7-/m0/s1;
    VJCNFQNUKLFMMR-ZETCQYMHSA-N    		 B(CCCCC(C)(C(=O)O)N)(O)O; O=C(O)C(N)(CCC
    CB(O)O)C; C[C@](N)(CCCCB(O)O)C(O)=O; C[C
    ](N)(CCCCB(O)O)C(O)=O    		 6-(dihydroxyboranyl)-2-methyl-L-norleucine
    20539 FB7
    CHEMBL5192813
    ZINC000147646972    		 3 C19 H22 F3 N5 O2 InChI=1S/C19H22F3N5O2/c20
    -19(21,22)15-11-16(23)24-
    12-14(15)13-9-17(26-1-5-2
    8-6-2-26)25-18(10-13)27-3
    -7-29-8-4-27/h9-12H,1-8H2
    ,(H2,23,24);
    PYIZPPLCBSHXDH-UHFFFAOYSA-N    		 c1c(cc(nc1N2CCOCC2)N3CCOCC3)c4cnc(cc4C(F
    )(F)F)N; Nc1cc(c(cn1)c2cc(nc(c2)N3CCOCC3
    )N4CCOCC4)C(F)(F)F    		 5-(2,6-dimorpholin-4-ylpyridin-4-yl)-4-(trifluoromethyl)pyridin-2-amine;
    MBT147
    20540 FB8
    CHEMBL488436
    ZINC000040442496    		 6 C18 H21 N5 O2 S InChI=1S/C18H21N5O2S/c1-1
    2(2)23-13(3)20-11-17(23)1
    6-9-10-19-18(22-16)21-14-
    5-7-15(8-6-14)26(4,24)25/
    h5-12H,1-4H3,(H,19,21,22);
    WJRRGYBTGDJBFX-UHFFFAOYSA-N    		 Cc1ncc(n1C(C)C)c2ccnc(n2)Nc3ccc(cc3)S(=O
    )(=O)C; CC(C)n1c(C)ncc1c2ccnc(Nc3ccc(cc3
    )[S](C)(=O)=O)n2    		 4-(2-methyl-3-propan-2-yl-imidazol-4-yl)-~{N}-(4-methylsulfonylphenyl)pyrimidin-2-amine
    20541 FB9 1 C34 H37 N3 O5 InChI=1S/C34H37N3O5/c1-41
    -22-30-33(25-11-9-24(10-1
    2-25)8-7-23-5-3-2-4-6-23)
    29-19-36(20-31(38)32(39)2
    1-37(29)30)34(40)35-26-13
    -15-27(16-14-26)42-28-17-
    18-28/h2-6,9-16,28-33,38-
    39H,17-22H2,1H3,(H,35,40)
    /t29-,30+,31+,32-,33+/m0/
    s1;
    DJCBDEOPQMQGCA-AXJMTRDLSA-N    		 COC[CH]1[CH]([CH]2CN(C[CH](O)[CH](O)CN12
    )C(=O)Nc3ccc(OC4CC4)cc3)c5ccc(cc5)C#Cc6c
    cccc6; COCC1C(C2N1CC(C(CN(C2)C(=O)Nc3ccc
    (cc3)OC4CC4)O)O)c5ccc(cc5)C#Cc6ccccc6; C
    OC[C@@H]1[C@@H]([C@H]2N1C[C@@H]([C@@H](C
    N(C2)C(=O)Nc3ccc(cc3)OC4CC4)O)O)c5ccc(cc
    5)C#Cc6ccccc6; COC[C@@H]1[C@@H]([C@@H]2C
    N(C[C@@H](O)[C@@H](O)CN12)C(=O)Nc3ccc(OC
    4CC4)cc3)c5ccc(cc5)C#Cc6ccccc6    		 (3S,4R,8R,9R,10S)-N-(4-cyclopropyloxyphenyl)-10-(methoxymethyl)-3,4-bis(oxidanyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide
    20542 FBA
    DB03243    		 1 C7 H9 F N InChI=1S/C7H8FN/c8-7-3-1-
    6(5-9)2-4-7/h1-4H,5,9H2/p
    +1;
    IIFVWLUQBAIPMJ-UHFFFAOYSA-O    		 Fc1ccc(cc1)C[NH3+]; c1cc(ccc1C[NH3+])F;
    [NH3+]Cc1ccc(F)cc1    		 4-FLUOROBENZYLAMINE
    20543 FBB
    CHEMBL98406
    ZINC000017744334    		 12 C7 H5 F N2 S InChI=1S/C7H5FN2S/c8-4-1-
    2-5-6(3-4)11-7(9)10-5/h1-
    3H,(H2,9,10);
    CJLUXPZQUXVJNF-UHFFFAOYSA-N    		 c1cc2c(cc1F)sc(n2)N; Nc1sc2cc(F)ccc2n1;
    Fc1ccc2nc(sc2c1)N    		 6-fluoro-1,3-benzothiazol-2-amine
    20544 FBC
    CHEMBL432234
    DB07753
    ZINC000002513032    		 2 C13 H8 F2 O2 InChI=1S/C13H8F2O2/c14-11
    -5-10(6-12(15)7-11)8-1-3-
    9(4-2-8)13(16)17/h1-7H,(H
    ,16,17);
    VCEFNMHMLWBFNV-UHFFFAOYSA-N    		 c1cc(ccc1c2cc(cc(c2)F)F)C(=O)O; OC(=O)c1
    ccc(cc1)c2cc(F)cc(F)c2; Fc2cc(c1ccc(C(=O
    )O)cc1)cc(F)c2    		 3',5'-DIFLUOROBIPHENYL-4-CARBOXYLIC ACID
    20545 FBD
    CHEMBL1232667
    DB07754
    ZINC000039111997    		 1 C16 H19 F N2 O7 S InChI=1S/C16H19FN2O7S/c17
    -10-3-1-9(2-4-10)7-27-8-1
    2(15(24)25)19-16(26)18-11
    (14(22)23)5-6-13(20)21/h1
    -4,11-12H,5-8H2,(H,20,21)
    (H,22,23)(H,24,25)(H2,18,
    19,26)/t11-,12-/m0/s1;
    IDTMSHGCAZPVLC-RYUDHWBXSA-N    		 c1cc(ccc1CSC[C@@H](C(=O)O)NC(=O)N[C@@H](
    CCC(=O)O)C(=O)O)F; c1cc(ccc1CSCC(C(=O)O)
    NC(=O)NC(CCC(=O)O)C(=O)O)F; OC(=O)CC[CH]
    (NC(=O)N[CH](CSCc1ccc(F)cc1)C(O)=O)C(O)=
    O; Fc1ccc(cc1)CSCC(C(=O)O)NC(=O)NC(C(=O)
    O)CCC(=O)O; OC(=O)CC[C@H](NC(=O)N[C@@H](
    CSCc1ccc(F)cc1)C(O)=O)C(O)=O    		 N-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-L-glutamic acid;
    (S)-2-(3-((R)-1-carboxy-2-(4-fluorobenzylthio)ethyl)ureido)pentanedioic acid
    20546 FBE 0 C5 H9 N O2 InChI=1S/C5H9NO2/c6-4-2-1
    -3-5(7)8/h1-2H,3-4,6H2,(H
    ,7,8)/b2-1+;
    IACMVGAGEKETDA-OWOJBTEDSA-N    		 NC/C=C/CC(O)=O; O=C(O)C/C=C/CN; C(C=CCN)
    C(=O)O; NCC=CCC(O)=O; C(/C=C/CN)C(=O)O    		 (3E)-5-aminopent-3-enoic acid
    20547 FBF
    CHEMBL1921972
    ZINC000000118910    		 3 C8 H7 F3 N2 InChI=1S/C8H7F3N2/c9-8(10
    ,11)6-3-1-5(2-4-6)7(12)13
    /h1-4H,(H3,12,13);
    XFLGYXVBXUAGQV-UHFFFAOYSA-N    		 NC(=N)c1ccc(cc1)C(F)(F)F; [H]/N=C(/c1ccc
    (cc1)C(F)(F)F)\N; FC(F)(F)c1ccc(C(=[N@H]
    )N)cc1; c1cc(ccc1C(=N)N)C(F)(F)F    		 4-(trifluoromethyl)benzenecarboximidamide
    20548 FBG
    ZINC000004271828    		 2 C9 H7 F O4 InChI=1S/C9H7FO4/c10-6-1-
    5-3-13-4-14-8(5)7(2-6)9(1
    1)12/h1-2H,3-4H2,(H,11,12
    );
    HWBALMSPYAUMMB-UHFFFAOYSA-N    		 OC(=O)c1cc(F)cc2COCOc12; O=C(O)c2cc(F)cc
    1c2OCOC1; c1c(cc(c2c1COCO2)C(=O)O)F    		 6-fluoro-4H-1,3-benzodioxine-8-carboxylic acid
    20549 FBI
    ZINC000033821292    		 8 C22 H30 F N3 O6 S InChI=1S/C22H30FN3O6S/c1-
    13(2)20-18(10-9-16(27)11-
    17(28)12-19(29)30)21(14-5
    -7-15(23)8-6-14)25-22(24-
    20)26(3)33(4,31)32/h5-8,1
    3,16-17,27-28H,9-12H2,1-4
    H3,(H,29,30)/t16-,17-/m1/
    s1;
    ZVPAUNJUMAQCNK-IAGOWNOFSA-N    		 CC(C)c1nc(nc(c2ccc(F)cc2)c1CC[C@@H](O)C[
    C@@H](O)CC(O)=O)N(C)[S](C)(=O)=O; O=S(=O
    )(N(c1nc(c(c(n1)C(C)C)CCC(O)CC(O)CC(=O)O
    )c2ccc(F)cc2)C)C; CC(C)c1c(c(nc(n1)N(C)S
    (=O)(=O)C)c2ccc(cc2)F)CC[C@H](C[C@H](CC(
    =O)O)O)O; CC(C)c1c(c(nc(n1)N(C)S(=O)(=O)
    C)c2ccc(cc2)F)CCC(CC(CC(=O)O)O)O; CC(C)c
    1nc(nc(c2ccc(F)cc2)c1CC[CH](O)C[CH](O)CC
    (O)=O)N(C)[S](C)(=O)=O    		 7-[4-(4-FLUORO-PHENYL)-6-ISOPROPYL-2-(METHANESULFONYL-METHYL-AMINO)-PYRIMIDIN-5-YL] -3,5-DIHYDROXY-HEPTANOIC ACID;
    ROSUVASTATIN
    20550 FBJ
    CHEMBL2333346
    ZINC000095589020    		 2 C6 H9 N O2 InChI=1S/C6H9NO2/c8-6(7-9
    )5-3-1-2-4-5/h3,9H,1-2,4H
    2,(H,7,8);
    RYYGSXXWQSXKRP-UHFFFAOYSA-N    		 C(=O)(C1=CCCC1)NO; C1CC=C(C1)C(=O)NO; ON
    C(=O)C1=CCCC1    		 N-hydroxycyclopent-1-ene-1-carboxamide;
    cyclopentenylhydroxamate
    20551 FBK 1 C18 H13 N O3 InChI=1S/C18H13NO3/c20-15
    -7-2-5-13(11-15)17-9-3-8-
    16(19-17)12-4-1-6-14(10-1
    2)18(21)22/h1-11,20H,(H,2
    1,22);
    RGVPEEGFSSWQPL-UHFFFAOYSA-N    		 Oc1cccc(c1)c2cccc(n2)c3cccc(c3)C(O)=O; c
    1cc(cc(c1)C(=O)O)c2cccc(n2)c3cccc(c3)O    		 3-[6-(3-hydroxyphenyl)pyridin-2-yl]benzoic acid
    20552 FBL
    DB07755
    ZINC000003581441    		 1 C21 H23 Cl2 N5 O2 InChI=1S/C21H23Cl2N5O2/c1
    -28(2)12-16(29)13-30-17-6
    -4-15(5-7-17)25-21-24-10-
    9-20(27-21)26-19-11-14(22
    )3-8-18(19)23/h3-11,16,29
    H,12-13H2,1-2H3,(H2,24,25
    ,26,27)/t16-/m0/s1;
    GNLAGGCSJGJECE-INIZCTEOSA-N    		 CN(C)CC(COc1ccc(cc1)Nc2nccc(n2)Nc3cc(ccc
    3Cl)Cl)O; CN(C)C[C@H](O)COc1ccc(Nc2nccc(
    Nc3cc(Cl)ccc3Cl)n2)cc1; Clc1cc(c(Cl)cc1)
    Nc2nc(ncc2)Nc3ccc(OCC(O)CN(C)C)cc3; CN(C
    )C[C@@H](COc1ccc(cc1)Nc2nccc(n2)Nc3cc(cc
    c3Cl)Cl)O; CN(C)C[CH](O)COc1ccc(Nc2nccc(
    Nc3cc(Cl)ccc3Cl)n2)cc1    		 (2S)-1-[4-({4-[(2,5-DICHLOROPHENYL)AMINO]PYRIMIDIN-2-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
    20553 FBM
    CHEMBL2333344    		 2 C7 H11 N O2 InChI=1S/C7H11NO2/c9-7(8-
    10)6-4-2-1-3-5-6/h4,10H,1
    -3,5H2,(H,8,9);
    NMUKJRPCVOESRU-UHFFFAOYSA-N    		 C1CCC(=CC1)C(=O)NO; C1C(C(=O)NO)=CCCC1;
    ONC(=O)C1=CCCCC1    		 N-hydroxycyclohex-1-ene-1-carboxamide;
    cyclohexenylhydroxamate
    20554 FBN
    ZINC000058660716    		 1 C20 H20 N10 O8 InChI=1S/C20H20N10O8/c21-
    17-13-18(24-6-23-17)29(7-
    25-13)20-16(34)15(33)12(3
    8-20)5-28-4-8(26-27-28)3-
    22-19(35)10-1-9(30(36)37)
    2-11(31)14(10)32/h1-2,4,6
    -7,12,15-16,20,31-34H,3,5
    H2,(H,22,35)(H2,21,23,24)
    /t12-,15-,16-,20-/m1/s1;
    KWTYQIOJSHGBKG-VXHCAWKWSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](Cn4cc(CNC(=O)
    c5cc(cc(O)c5O)[N+]([O-])=O)nn4)[CH](O)[C
    H]3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](Cn4c
    c(CNC(=O)c5cc(cc(O)c5O)[N+]([O-])=O)nn4)
    [C@@H](O)[C@H]3O; [O-][N+](=O)c1cc(c(O)c
    (O)c1)C(=O)NCc2nnn(c2)CC5OC(n4cnc3c(ncnc
    34)N)C(O)C5O; c1c(cc(c(c1C(=O)NCc2cn(nn2
    )C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4n
    cnc5N)O)O)O)O)[N+](=O)[O-]; c1c(cc(c(c1C
    (=O)NCc2cn(nn2)CC3C(C(C(O3)n4cnc5c4ncnc5
    N)O)O)O)O)[N+](=O)[O-]    		 5'-deoxy-5'-[4-({[(2,3-dihydroxy-5-nitrophenyl)carbonyl]amino}methyl)-1H-1,2,3-triazol-1-yl]adenosine;
    N-[(1-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methyl]-2,3-dihy droxy-5-nitrobenzamide
    20555 FBO
    ZINC000071318285    		 1 C23 H30 N4 O5 InChI=1S/C23H30N4O5/c24-1
    9(15-17-9-3-1-4-10-17)21(
    28)26-20(22(29)27-31)13-7
    -8-14-25-23(30)32-16-18-1
    1-5-2-6-12-18/h1-6,9-12,1
    9-20,31H,7-8,13-16,24H2,(
    H,25,30)(H,26,28)(H,27,29
    )/t19-,20-/m0/s1;
    YGHNIVJEKSKDJB-PMACEKPBSA-N    		 N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCNC(=O
    )OCc2ccccc2)C(=O)NO; O=C(NO)C(NC(=O)C(N)
    Cc1ccccc1)CCCCNC(=O)OCc2ccccc2; c1ccc(cc
    1)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc2ccc
    cc2)C(=O)NO)N; N[CH](Cc1ccccc1)C(=O)N[CH
    ](CCCCNC(=O)OCc2ccccc2)C(=O)NO; c1ccc(cc
    1)CC(C(=O)NC(CCCCNC(=O)OCc2ccccc2)C(=O)N
    O)N    		 L-phenylalanyl-N6-[(benzyloxy)carbonyl]-N1-hydroxy-L-lysinamide
    20556 FBP
    CHEMBL97893
    DB04551
    ZINC000004096694    		 690 C6 H14 O12 P2 InChI=1S/C6H14O12P2/c7-4-
    3(1-16-19(10,11)12)18-6(9
    ,5(4)8)2-17-20(13,14)15/h
    3-5,7-9H,1-2H2,(H2,10,11,
    12)(H2,13,14,15)/t3-,4-,5
    +,6-/m1/s1;
    RNBGYGVWRKECFJ-ARQDHWQXSA-N    		 O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[
    C@@H]1CO[P](O)(O)=O; O[CH]1[CH](O)[C](O)
    (CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O; O=P(
    O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O; C(C1
    C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O;
    C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O
    )O)O)O)O)OP(=O)(O)O    		 1,6-di-O-phosphono-beta-D-fructofuranose;
    BETA-FRUCTOSE-1,6-DIPHOSPHATE;
    FRUCTOSE-1,6-BISPHOSPHATE;
    1,6-di-O-phosphono-beta-D-fructose;
    1,6-di-O-phosphono-D-fructose;
    1,6-di-O-phosphono-fructose
    20557 FBQ
    DB07756
    ZINC000003581327    		 1 C20 H18 F4 N2 O2 S InChI=1S/C20H18F4N2O2S/c1
    -11-14(18(25)17-15(21)6-3
    -7-16(17)26-11)10-29-9-12
    -4-2-5-13(8-12)19(27,28)2
    0(22,23)24/h2-8,27-28H,9-
    10H2,1H3,(H2,25,26);
    GPBGHVRNVGXPNM-UHFFFAOYSA-N    		 Cc1c(c(c2c(n1)cccc2F)N)CSCc3cccc(c3)C(C(
    F)(F)F)(O)O; FC(F)(F)C(O)(O)c1cccc(c1)CS
    Cc2c(c3c(F)cccc3nc2C)N; Cc1nc2cccc(F)c2c
    (N)c1CSCc3cccc(c3)C(O)(O)C(F)(F)F    		 1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-3-YL)METHYL]THIO}METHYL)PHENYL]-2,2,2-TRIFLUOROETHANE-1,1-DIOL;
    4-AMINO-5-FLUORO-2-METHYL-3-(3-TRIFLUOROACETYLBENZYLTHIOMETHYL)QUINOLINE
    20558 FBR
    CHEMBL211614
    DB07757
    ZINC000016052063    		 1 C17 H19 Br O2 InChI=1S/C17H19BrO2/c1-2-
    3-7-17-8-6-14(20)16(18)15
    (17)13-5-4-12(19)9-11(13)
    10-17/h4-5,9,19H,2-3,6-8,
    10H2,1H3/t17-/m0/s1;
    FTEBGBCQCYMDPH-KRWDZBQOSA-N    		 CCCCC12CCC(=O)C(=C1c3ccc(cc3C2)O)Br; CCC
    C[C@@]12CCC(=O)C(=C1c3ccc(cc3C2)O)Br; CC
    CC[C@@]12CCC(=O)C(=C1c3ccc(O)cc3C2)Br; C
    CCC[C]12CCC(=O)C(=C1c3ccc(O)cc3C2)Br; O=
    C3C(Br)=C2c1c(cc(O)cc1)CC2(CCCC)CC3    		 (9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one
    20559 FBS
    CHEMBL1232673
    DB01784
    ZINC000002571408    		 2 C6 H6 F N O2 S InChI=1S/C6H6FNO2S/c7-5-1
    -3-6(4-2-5)11(8,9)10/h1-4
    H,(H2,8,9,10);
    LFLSATHZMYYIAQ-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(F)cc1; c1cc(ccc1F)S(=O
    )(=O)N; c1(ccc(cc1)S(=O)(=O)N)F    		 4-FLUOROBENZENESULFONAMIDE
    20560 FBT
    DB03270
    ZINC000000404039    		 3 C6 H5 F2 N O2 S InChI=1S/C6H5F2NO2S/c7-4-
    2-1-3-5(8)6(4)12(9,10)11/
    h1-3H,(H2,9,10,11);
    RVVVGGCOFWWDEL-UHFFFAOYSA-N    		 c1cc(c(c(c1)F)S(=O)(=O)N)F; O=S(=O)(c1c(
    F)cccc1F)N; N[S](=O)(=O)c1c(F)cccc1F    		 2,6-DIFLUOROBENZENESULFONAMIDE
    20561 FBU
    DB02087
    ZINC000002576766    		 2 C6 H5 F2 N O2 S InChI=1S/C6H5F2NO2S/c7-4-
    1-5(8)3-6(2-4)12(9,10)11/
    h1-3H,(H2,9,10,11);
    MKQPOVUFDWKPNO-UHFFFAOYSA-N    		 N[S](=O)(=O)c1cc(F)cc(F)c1; Fc1cc(cc(F)c
    1)S(=O)(=O)N; c1c(cc(cc1F)S(=O)(=O)N)F    		 3,5-DIFLUOROBENZENESULFONAMIDE
    20562 FBV
    ZINC000000155614    		 3 C6 H6 F N O2 S InChI=1S/C6H6FNO2S/c7-5-3
    -1-2-4-6(5)11(8,9)10/h1-4
    H,(H2,8,9,10);
    WFLBWYLZCQOPCA-UHFFFAOYSA-N    		 O=S(=O)(c1ccccc1F)N; c1ccc(c(c1)F)S(=O)(
    =O)N; N[S](=O)(=O)c1ccccc1F    		 2-fluorobenzenesulfonamide
    20563 FBW
    ZINC000000404040    		 2 C6 H6 F N O2 S InChI=1S/C6H6FNO2S/c7-5-2
    -1-3-6(4-5)11(8,9)10/h1-4
    H,(H2,8,9,10);
    CRINBBOGNYCAOV-UHFFFAOYSA-N    		 N[S](=O)(=O)c1cccc(F)c1; c1cc(cc(c1)S(=O
    )(=O)N)F; O=S(=O)(c1cc(F)ccc1)N    		 3-fluorobenzenesulfonamide
    20564 FBX
    CHEMBL41355
    DB04953
    ZINC000000016154    		 17 C16 H18 F N3 O2 InChI=1S/C16H18FN3O2/c1-2
    -22-16(21)20-15-8-7-13(9-
    14(15)18)19-10-11-3-5-12(
    17)6-4-11/h3-9,19H,2,10,1
    8H2,1H3,(H,20,21);
    PCOBBVZJEWWZFR-UHFFFAOYSA-N    		 CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F; CCOC(
    =O)Nc1ccc(NCc2ccc(F)cc2)cc1N    		 ethyl N-[2-azanyl-4-[(4-fluorophenyl)methylamino]phenyl]carbamate;
    Retigabine, Ezogabine
    20565 FBY 2 C18 H21 F2 N5 O2 InChI=1S/C18H21F2N5O2/c1-
    4-5-6-25-14-9-21-18(23-16
    (14)24(3)10(2)17(25)27)22
    -11-7-12(19)15(26)13(20)8
    -11/h7-10,26H,4-6H2,1-3H3
    ,(H,21,22,23)/t10-/m1/s1;
    IQHUYDHFNRXPGH-SNVBAGLBSA-N    		 CCCCN1c2cnc(nc2N(C(C1=O)C)C)Nc3cc(c(c(c3
    )F)O)F; CCCCN1C(=O)[CH](C)N(C)c2nc(Nc3cc
    (F)c(O)c(F)c3)ncc12; c3(F)cc(Nc1nc2c(cn1
    )N(C(=O)C(C)N2C)CCCC)cc(c3O)F; CCCCN1c2c
    nc(nc2N([C@@H](C1=O)C)C)Nc3cc(c(c(c3)F)O
    )F; CCCCN1C(=O)[C@@H](C)N(C)c2nc(Nc3cc(F
    )c(O)c(F)c3)ncc12    		 (7R)-5-butyl-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7,8-dimethyl-7,8-dihydropteridin-6(5H)-one
    20566 FBZ
    ZINC000000388112    		 1 C10 H12 O2 InChI=1S/C10H12O2/c1-8(7-
    10(11)12)9-5-3-2-4-6-9/h2
    -6,8H,7H2,1H3,(H,11,12)/t
    8-/m0/s1;
    ZZEWMYILWXCRHZ-QMMMGPOBSA-N    		 CC(CC(=O)O)c1ccccc1; C[C@@H](CC(=O)O)c1c
    cccc1; C[CH](CC(O)=O)c1ccccc1; C[C@@H](C
    C(O)=O)c1ccccc1; O=C(O)CC(c1ccccc1)C    		 (3S)-3-phenylbutanoic acid
    20567 FC0
    ZINC000034175426    		 0 C10 H11 N O4 InChI=1S/C10H11NO4/c12-9(
    13)8(11-10(14)15)6-7-4-2-
    1-3-5-7/h1-5,8,11H,6H2,(H
    ,12,13)(H,14,15)/t8-/m0/s
    1;
    XXGPNEDZNRZWPK-QMMMGPOBSA-N    		 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)O; c1ccc(
    cc1)CC(C(=O)O)NC(=O)O; OC(=O)N[CH](Cc1cc
    ccc1)C(O)=O; O=C(O)C(NC(=O)O)Cc1ccccc1;
    OC(=O)N[C@@H](Cc1ccccc1)C(O)=O    		 N-CARBOXY-L-PHENYLALANINE
    20568 FC1
    DB02462
    ZINC000012502122    		 1 C14 H17 N O2 S InChI=1S/C14H17NO2S/c1-15
    (2)8-5-9-17-12-10-14(16)1
    8-13-7-4-3-6-11(12)13/h3-
    4,6-7,10H,5,8-9H2,1-2H3;
    DIOZFKOOIBATNZ-UHFFFAOYSA-N    		 CN(C)CCCOC1=CC(=O)Sc2ccccc12; CN(C)CCCOC
    1=CC(=O)Sc2c1cccc2; O=C2Sc1ccccc1C(OCCCN
    (C)C)=C2    		 THIOCOUMARIN
    20569 FC2
    CHEMBL370437
    DB07758
    ZINC000000156746    		 1 C11 H6 Cl2 O3 InChI=1S/C11H6Cl2O3/c12-6
    -1-2-8(13)7(5-6)9-3-4-10(
    16-9)11(14)15/h1-5H,(H,14
    ,15);
    ATAZLMGGQQLRBC-UHFFFAOYSA-N    		 c1cc(c(cc1Cl)c2ccc(o2)C(=O)O)Cl; OC(=O)c
    1oc(cc1)c2cc(Cl)ccc2Cl; O=C(O)c2oc(c1c(C
    l)ccc(Cl)c1)cc2    		 5-(2,5-DICHLOROPHENYL)-2-FUROIC ACID
    20570 FC3
    CHEMBL200377
    DB07759
    ZINC000000349812    		 1 C12 H7 F3 O3 InChI=1S/C12H7F3O3/c13-12
    (14,15)8-4-2-1-3-7(8)9-5-
    6-10(18-9)11(16)17/h1-6H,
    (H,16,17);
    IJPNRBZMRINMMR-UHFFFAOYSA-N    		 c1ccc(c(c1)c2ccc(o2)C(=O)O)C(F)(F)F; O=C
    (O)c2oc(c1c(cccc1)C(F)(F)F)cc2; OC(=O)c1
    oc(cc1)c2ccccc2C(F)(F)F    		 5-[2-(TRIFLUOROMETHYL)PHENYL]-2-FUROIC ACID
    20571 FC4
    ZINC000096269988    		 1 C20 H16 Cl N5 O4 S2 InChI=1S/C20H16ClN5O4S2/c
    1-11(18(27)24-14-6-8-15(9
    -7-14)32(23,29)30)31-20-2
    5-17(16(10-22)19(28)26-20
    )12-2-4-13(21)5-3-12/h2-9
    ,11H,1H3,(H,24,27)(H2,23,
    29,30)(H,25,26,28)/t11-/m
    1/s1;
    JDIGFAGHWNBGPU-LLVKDONJSA-N    		 C[CH](SC1=NC(=C(C#N)C(=O)N1)c2ccc(Cl)cc2
    )C(=O)Nc3ccc(cc3)[S](N)(=O)=O; c1cc(Cl)c
    cc1C2=C(C(=O)NC(=N2)SC(C)C(=O)Nc3ccc(cc3
    )S(=O)(=O)N)C#N; C[C@@H](SC1=NC(=C(C#N)C
    (=O)N1)c2ccc(Cl)cc2)C(=O)Nc3ccc(cc3)[S](
    N)(=O)=O; C[C@H](C(=O)Nc1ccc(cc1)S(=O)(=
    O)N)SC2=NC(=C(C(=O)N2)C#N)c3ccc(cc3)Cl;
    CC(C(=O)Nc1ccc(cc1)S(=O)(=O)N)SC2=NC(=C(
    C(=O)N2)C#N)c3ccc(cc3)Cl    		 (2R)-2-{[4-(4-chlorophenyl)-5-cyano-6-oxo-1,6-dihydropyrimidin-2-yl]sulfanyl}-N-(4-sulfamoylphenyl)propanamide
    20572 FC5
    CHEMBL1957177    		 1 C9 H6 O2 S InChI=1S/C9H6O2S/c10-7-2-
    3-8-6(5-7)1-4-9(12)11-8/h
    1-5,10H;
    FGHZVFOCIYABBE-UHFFFAOYSA-N    		 c1cc2c(cc1O)C=CC(=S)O2; Oc1ccc2OC(=S)C=C
    c2c1; S=C2Oc1ccc(O)cc1C=C2    		 6-hydroxy-2H-chromene-2-thione
    20573 FC6 80 C6 Fe N6 InChI=1S/6CN.Fe/c6*1-2;;
    HCMVSLMENOCDCK-UHFFFAOYSA-N    		 C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N; N#C[Fe
    ](C#N)(C#N)(C#N)(C#N)C#N    		 HEXACYANOFERRATE(3-);
    FERRI(III)HEXACYANIDE
    20574 FC7
    CHEMBL3814342    		 3 C32 H50 O9 InChI=1S/C32H50O9/c1-15(2
    )22-19-10-11-37-29(19)32(
    6)12-20-17(13-36-7)8-9-18
    (20)16(3)24(33)28(23(22)3
    2)40-30-26(35)25(34)27-21
    (39-30)14-38-31(4,5)41-27
    /h12,15-19,21,24-30,33-35
    H,8-11,13-14H2,1-7H3/b20-
    12-/t16-,17-,18+,19+,21-,
    24-,25-,26-,27-,28-,29+,3
    0-,32-/m1/s1;
    VVWLHUXTBJWIOB-YGTMNZBKSA-N    		 CC1C2CCC(C2=CC3(C4C(CCO4)C(=C3C(C1O)OC5C
    (C(C6C(O5)COC(O6)(C)C)O)O)C(C)C)C)COC; O
    5C(OC4C2=C(C(C)C)C1CCOC1C2(C=C3C(COC)CCC
    3C(C)C4O)C)C(O)C(O)C6OC(OCC56)(C)C; COC[
    CH]1CC[CH]2[CH](C)[CH](O)[CH](O[CH]3O[CH
    ]4COC(C)(C)O[CH]4[CH](O)[CH]3O)C5=C(C(C)
    C)[CH]6CCO[CH]6[C]5(C)C=C12; C[C@@H]1[C@
    @H]2CC[C@@H](C2=C[C@]3([C@@H]4[C@@H](CCO
    4)C(=C3[C@H]([C@@H]1O)O[C@@H]5[C@@H]([C@
    H]([C@H]6[C@H](O5)COC(O6)(C)C)O)O)C(C)C)
    C)COC; COC[C@H]1CC[C@H]\2[C@@H](C)[C@@H]
    (O)[C@H](O[C@H]3O[C@@H]4COC(C)(C)O[C@H]4
    [C@H](O)[C@H]3O)C5=C(C(C)C)[C@@H]6CCO[C@
    @H]6[C@]5(C)\C=C1\2    		 Fusicoccin A-THF;
    (1S,3aS,4R,5R,6R,7aS,10aS,10bR)-5-hydroxy-1-(methoxymethyl)-4,10b-dimethyl-7-(propan-2-yl)-1,2,3,3a,4,5,6,7a,8,9,10a,10b-dodecahydrocyclopenta[4',5']cycloocta[1',2':4,5]cyclopenta[1,2-b]furan-6-yl 4,6-O-(1-methylethylidene)-alpha-D-glucopyranoside
    20575 FC8
    CHEMBL367625
    ZINC000002583998    		 2 C19 H24 Cl N7 InChI=1S/C19H24ClN7/c1-2-
    27-11-22-16-17(23-13-7-5-
    6-12(20)10-13)25-19(26-18
    (16)27)24-15-9-4-3-8-14(1
    5)21/h5-7,10-11,14-15H,2-
    4,8-9,21H2,1H3,(H2,23,24,
    25,26)/t14-,15+/m0/s1;
    UTBSBSOBZHXMHI-LSDHHAIUSA-N    		 CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)NC4CCCCC4N
    ; CCn1cnc2c1nc(nc2Nc3cccc(c3)Cl)N[C@@H]4
    CCCC[C@@H]4N; CCn1cnc2c(Nc3cccc(Cl)c3)nc
    (N[CH]4CCCC[CH]4N)nc12; CCn1cnc2c(Nc3ccc
    c(Cl)c3)nc(N[C@@H]4CCCC[C@@H]4N)nc12    		 ~{N}2-[(1~{R},2~{S})-2-azanylcyclohexyl]-~{N}6-(3-chlorophenyl)-9-ethyl-purine-2,6-diamine
    20576 FC9
    CHEMBL3741975
    ZINC000263621284    		 1 C30 H22 N6 O7 S2 InChI=1S/C30H22N6O7S2/c31
    -45(41,42)21-6-2-18(3-7-2
    1)36-15-17(34-35-36)14-32
    -30(44)33-16-1-8-22(25(11
    -16)29(39)40)28-23-9-4-19
    (37)12-26(23)43-27-13-20(
    38)5-10-24(27)28/h1-13,15
    ,37H,14H2,(H,39,40)(H2,31
    ,41,42)(H2,32,33,44);
    YKWZALQMWYUDGJ-UHFFFAOYSA-N    		 O=S(=O)(N)c1ccc(cc1)n2nnc(c2)CNC(=S)Nc6c
    cc(C=3c5c(OC=4C=3C=CC(=O)C=4)cc(O)cc5)c(
    C(=O)O)c6; N[S](=O)(=O)c1ccc(cc1)n2cc(CN
    C(=S)Nc3ccc(c(c3)C(O)=O)C4=C5C=CC(=O)C=C
    5Oc6cc(O)ccc46)nn2; c1cc(ccc1n2cc(nn2)CN
    C(=S)Nc3ccc(c(c3)C(=O)O)C4=C5C=CC(=O)C=C
    5Oc6c4ccc(c6)O)S(=O)(=O)N    		 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid
    20577 FCA
    CHEMBL609880
    DB03485
    ZINC000001532815    		 5 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+/m1/s
    1;
    SHZGCJCMOBCMKK-PHYPRBDBSA-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    		 alpha-D-fucopyranose;
    alpha-D-fucose;
    6-deoxy-alpha-D-galactopyranose;
    D-fucose;
    fucose
    20578 FCB
    DB04062
    ZINC000001532816    		 7 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-/m1/s
    1;
    SHZGCJCMOBCMKK-FPRJBGLDSA-N    		 OC1C(O)C(OC(O)C1O)C; C[C@@H]1[C@@H]([C@@
    H]([C@H]([C@@H](O1)O)O)O)O; 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-D-fucopyranose;
    beta-D-fucose;
    6-deoxy-beta-D-galactopyranose;
    D-fucose;
    fucose
    20579 FCC
    CHEMBL319111
    DB13806
    ZINC000000537908    		 0 C26 H21 N3 O InChI=1S/C26H21N3O/c30-25
    -26(18-20-10-14-27-15-11-
    20,19-21-12-16-28-17-13-2
    1)23-8-4-5-9-24(23)29(25)
    22-6-2-1-3-7-22/h1-17H,18
    -19H2;
    YEJCDKJIEMIWRQ-UHFFFAOYSA-N    		 O=C1N(c2ccccc2)c3ccccc3C1(Cc4ccncc4)Cc5c
    cncc5; c1ccc(cc1)N2c3ccccc3C(C2=O)(Cc4cc
    ncc4)Cc5ccncc5    		 1-phenyl-3,3-bis(pyridin-4-ylmethyl)indol-2-one;
    Linopirdine
    20580 FCD
    CHEMBL200238
    DB02909
    ZINC000000280585    		 3 C11 H7 Cl O3 InChI=1S/C11H7ClO3/c12-8-
    4-2-1-3-7(8)9-5-6-10(15-9
    )11(13)14/h1-6H,(H,13,14);
    PJGGWIHXGHQXMM-UHFFFAOYSA-N    		 O=C(O)c2oc(c1c(Cl)cccc1)cc2; OC(=O)c1oc(
    cc1)c2ccccc2Cl; c1ccc(c(c1)c2ccc(o2)C(=O
    )O)Cl    		 5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACID
    20581 FCE 3 C27 H42 Fe N9 O12 InChI=1S/C27H42N9O12.Fe/c
    1-16(37)34(46)10-4-7-19-2
    5(43)30-14-23(41)28-13-22
    (40)29-15-24(42)31-20(8-5
    -11-35(47)17(2)38)26(44)3
    3-21(27(45)32-19)9-6-12-3
    6(48)18(3)39;/h19-21H,4-1
    5H2,1-3H3,(H,28,41)(H,29,
    40)(H,30,43)(H,31,42)(H,3
    2,45)(H,33,44);/q-3;+3/t1
    9-,20-,21-;/m0./s1;
    GGUNGDGGXMHBMJ-OCIDDWSYSA-N    		 CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NC(C
    CCN(O3)C(=O4)C)C(=O)NCC(=O)NCC(=O)NCC(=O
    )N[C@@H](CCCN1O5)C(=O)N6)C; CC1=O|[Fe]2|
    345|O=C(C)[N@@](CCC[C@@H]6NC(=O)[C@H](CC
    C[N@@](O2)C(=O|3)C)NC(=O)[C@H](CCC[N@@]1
    O4)NC(=O)CNC(=O)CNC(=O)CNC6=O)O5; CC1=O|
    [Fe]2|345|O=C(C)[N](CCC[CH]6NC(=O)[CH](C
    CC[N](O2)C(=O|3)C)NC(=O)[CH](CCC[N]1O4)N
    C(=O)CNC(=O)CNC(=O)CNC6=O)O5; CC1=O[Fe]2
    345O=C(N(O2)CCCC6C(=O)NCC(=O)NCC(=O)NCC(
    =O)NC(CCCN1O3)C(=O)NC(CCCN(O4)C(=O5)C)C(
    =O)N6)C; O=C1NCC(=O)NCC(=O)NCC(=O)NC5C(=
    O)NC3C(=O)NC1CCCN6O[Fe]24(O=C(N(O2)CCC3)
    C)(O=C(N(O4)CCC5)C)O=C6C    		 FERRICHROME
    20582 FCF
    CHEMBL1213371
    DB07760
    ZINC000058568694    		 1 C15 H14 N4 O6 InChI=1S/C15H14N4O6/c20-1
    3-7-12(18-15(23)19-13)9-1
    7-25-5-4-24-16-8-10-2-1-3
    -11(6-10)14(21)22/h1-3,6-
    9H,4-5H2,(H,21,22)(H2,18,
    19,20,23)/b16-8+,17-9+;
    TUYDQQMKXSQIQG-GONBZBRSSA-N    		 OC(=O)c1cccc(C=NOCCON=CC2=CC(=O)NC(=O)N2
    )c1; O=C2NC(\C=N\OCCO\N=C\c1cccc(C(=O)O)
    c1)=CC(=O)N2; c1cc(cc(c1)C(=O)O)\C=N\OCC
    O/N=C/C2=CC(=O)NC(=O)N2; OC(=O)c1cccc(/C
    =N/OCCO\N=C\C2=CC(=O)NC(=O)N2)c1; c1cc(c
    c(c1)C(=O)O)C=NOCCON=CC2=CC(=O)NC(=O)N2    		 3-[(1E,7E)-8-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,6-dioxa-2,7-diazaocta-1,7-dien-1-yl]benzoic acid
    20583 FCG
    ZINC000263620609    		 2 C30 H43 N9 O16 P2 InChI=1S/C30H43N9O16P2/c1
    -12-5-14-15(6-13(12)2)39-
    19(42)3-4-30(39)27(35-29(
    47)36-28(30)46)37(14)7-16
    (40)21(43)17(41)8-52-56(4
    8,49)55-57(50,51)53-9-18-
    22(44)23(45)26(54-18)38-1
    1-34-20-24(31)32-10-33-25
    (20)38/h5-6,10-11,16-19,2
    1-23,26-28,40-46H,3-4,7-9
    H2,1-2H3,(H,48,49)(H,50,5
    1)(H2,31,32,33)(H2,35,36,
    47)/t16-,17+,18+,19+,21-,
    22+,23+,26+,27-,28+,30-/m
    0/s1;
    JIPQJEPHOHUOJG-VWUOBWNNSA-N    		 Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=
    O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)
    n4cnc5c(N)ncnc45)[CH]6NC(=O)N[CH](O)[C]6
    7CC[CH](O)N7c2cc1C; O=C2NC(O)C73N(c1cc(c
    (cc1N(C3N2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)
    (O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C)C)C
    (O)CC7; Cc1cc2c(cc1C)[N@]3[C@@H](CC[C@@]
    34C(N2C[C@@H]([C@@H]([C@@H](CO[P@](=O)(O
    )O[P@](=O)(O)OC[C@@H]5[C@H]([C@H]([C@@H]
    (O5)n6cnc7c6ncnc7N)O)O)O)O)O)NC(=O)NC4O)
    O; Cc1cc2c(cc1C)N3C(CCC34C(N2CC(C(C(COP(
    =O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7c6ncnc
    7N)O)O)O)O)O)NC(=O)NC4O)O; Cc1cc2N(C[C@H
    ](O)[C@H](O)[C@H](O)CO[P@@](O)(=O)O[P@@]
    (O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n
    4cnc5c(N)ncnc45)[C@@H]6NC(=O)N[C@H](O)[C
    @]67CC[C@@H](O)N7c2cc1C    		 (N5,C4A)-(ALPHA-HYDROXY-PROPANO)-3,4,4A,5-TETRAHYDRO-FLAVIN-ADENINE DINUCLEOTIDE
    20584 FCH
    ZINC000098208872    		 0 C17 H28 N2 O InChI=1S/C17H28N2O/c18-16
    (11-14-7-3-1-4-8-14)17(20
    )13-19-12-15-9-5-2-6-10-1
    5/h1,3-4,7-8,15-17,19-20H
    ,2,5-6,9-13,18H2/t16-,17+
    /m0/s1;
    ZXSVBSSNAIRCGF-DLBZAZTESA-N    		 c1ccc(cc1)C[C@@H]([C@@H](CNCC2CCCCC2)O)N
    ; N[CH](Cc1ccccc1)[CH](O)CNCC2CCCCC2; OC
    (CNCC1CCCCC1)C(N)Cc2ccccc2; N[C@@H](Cc1c
    cccc1)[C@H](O)CNCC2CCCCC2; c1ccc(cc1)CC(
    C(CNCC2CCCCC2)O)N    		 (2R,3S)-3-amino-1-[(cyclohexylmethyl)amino]-4-phenylbutan-2-ol
    20585 FCI 4 C28 H44 Fe N9 O13 InChI=1S/C28H44N9O13.Fe/c
    1-16(39)35(48)10-4-7-19-2
    5(44)29-14-24(43)32-22(15
    -38)26(45)30-13-23(42)31-
    20(8-5-11-36(49)17(2)40)2
    7(46)34-21(28(47)33-19)9-
    6-12-37(50)18(3)41;/h19-2
    2,38H,4-15H2,1-3H3,(H,29,
    44)(H,30,45)(H,31,42)(H,3
    2,43)(H,33,47)(H,34,46);/
    q-3;+3/t19-,20-,21-,22+;/
    m0./s1;
    FNBCUYMSQPYITB-AFXYHRJJSA-N    		 CC1=O[Fe]2345O=C(N(O2)CCC[C@H]6C(=O)NCC(
    =O)N[C@@H](C(=O)NCC(=O)N[C@@H](CCCN1O3)C
    (=O)N[C@@H](CCCN(O4)C(=O5)C)C(=O)N6)CO)C
    ; CC(=O)[N]1CCC[CH]2NC(=O)CNC(=O)[CH](CO
    )NC(=O)CNC(=O)[CH]3CCC[N](O[Fe](O1)O[N](
    CCC[CH](NC2=O)C(=O)N3)C(=O)C)C(=O)C; CC(
    =O)[N@]1CCC[C@@H]2NC(=O)CNC(=O)[C@@H](CO
    )NC(=O)CNC(=O)[C@@H]3CCC[N@](O[Fe](O1)O[
    N@@](CCC[C@H](NC2=O)C(=O)N3)C(=O)C)C(=O)
    C; CC1=O[Fe]2345O=C(N(O2)CCCC6C(=O)NCC(=
    O)NC(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN
    (O4)C(=O5)C)C(=O)N6)CO)C    		 FERRICROCIN-IRON
    20586 FCJ 1 C11 H18 N5 O11 P3 InChI=1S/C11H18N5O11P3/c1
    2-10-9-11(14-3-13-10)16(4
    -15-9)8-1-6(17)7(26-8)2-2
    5-30(23,24)27-29(21,22)5-
    28(18,19)20/h3-4,6-8,17H,
    1-2,5H2,(H,21,22)(H,23,24
    )(H2,12,13,14)(H2,18,19,2
    0)/t6-,7+,8+/m0/s1;
    GSNPMYZTZSIIIC-XLPZGREQSA-N    		 Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO
    [P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O3; c1
    nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)C
    OP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N; c3n(C1
    OC(COP(=O)(O)OP(O)(CP(=O)(O)O)=O)C(C1)O)
    c2c(c(ncn2)N)n3; c1nc(c2c(n1)n(cn2)C3CC(
    C(O3)COP(=O)(O)OP(=O)(CP(=O)(O)O)O)O)N;
    Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](
    O)(=O)O[P](O)(=O)C[P](O)(O)=O)O3    		 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]adenosine
    20587 FCK
    CHEMBL1213372
    ZINC000058568805    		 1 C16 H18 N4 O5 InChI=1S/C16H18N4O5/c21-1
    4-8-13(19-16(24)20-14)10-
    18-25-6-2-5-17-9-11-3-1-4
    -12(7-11)15(22)23/h1,3-4,
    7-8,10,17H,2,5-6,9H2,(H,2
    2,23)(H2,19,20,21,24)/b18
    -10+;
    CZTGLADCGFOCLD-VCHYOVAHSA-N    		 O=C2NC(\C=N\OCCCNCc1cc(C(=O)O)ccc1)=CC(=
    O)N2; c1cc(cc(c1)C(=O)O)CNCCCON=CC2=CC(=
    O)NC(=O)N2; OC(=O)c1cccc(CNCCCON=CC2=CC(
    =O)NC(=O)N2)c1; OC(=O)c1cccc(CNCCCO/N=C/
    C2=CC(=O)NC(=O)N2)c1    		 3-({[3-({[(1E)-(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)methylidene]amino}oxy)propyl]amino}methyl)benzoic acid
    20588 FCL
    CHEMBL1232684
    ZINC000002572523    		 1 C9 H10 Cl N O2 InChI=1S/C9H10ClNO2/c10-7
    -3-1-2-6(4-7)5-8(11)9(12)
    13/h1-4,8H,5,11H2,(H,12,1
    3)/t8-/m0/s1;
    JJDJLFDGCUYZMN-QMMMGPOBSA-N    		 c1cc(cc(c1)Cl)C[C@@H](C(=O)O)N; Clc1cc(c
    cc1)CC(C(=O)O)N; c1cc(cc(c1)Cl)CC(C(=O)O
    )N; N[CH](Cc1cccc(Cl)c1)C(O)=O; N[C@@H](
    Cc1cccc(Cl)c1)C(O)=O    		 3-CHLORO-L-PHENYLALANINE
    20589 FCM
    CHEMBL2042814
    ZINC000059766309    		 1 C30 H26 F N O7 InChI=1S/C30H26FNO7/c1-5-
    15-10-19(31)17-9-7-6-8-16
    (17)18(15)13-32-29(37)25-
    22(38-4)11-21(35)26-27(25
    )39-23-12-20(34)24(14(2)3
    3)28(36)30(23,26)3/h6-12,
    34-35H,5,13H2,1-4H3,(H,32
    ,37)/t30-/m1/s1;
    FSXXQAXUJKNDPO-SSEXGKCCSA-N    		 CCc1cc(c2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=C
    C(=C(C(=O)[C@@]45C)C(=O)C)O)O)OC)F; Fc2c
    1c(cccc1)c(c(c2)CC)CNC(=O)c4c3OC5=CC(O)=
    C(C(=O)C5(c3c(O)cc4OC)C)C(=O)C; CCc1cc(F
    )c2ccccc2c1CNC(=O)c3c(OC)cc(O)c4c3OC5=CC
    (=C(C(C)=O)C(=O)[C]45C)O; CCc1cc(F)c2ccc
    cc2c1CNC(=O)c3c(OC)cc(O)c4c3OC5=CC(=C(C(
    C)=O)C(=O)[C@@]45C)O; CCc1cc(c2ccccc2c1C
    NC(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)C45C)C(=
    O)C)O)O)OC)F    		 (9aS)-8-acetyl-N-[(2-ethyl-4-fluoronaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
    20590 FCN
    CHEMBL1757
    DB00828
    ZINC000001530427    		 48 C3 H7 O4 P InChI=1S/C3H7O4P/c1-2-3(7
    -2)8(4,5)6/h2-3H,1H3,(H2,
    4,5,6)/t2-,3+/m0/s1;
    YMDXZJFXQJVXBF-STHAYSLISA-N    		 C[C@@H]1O[C@@H]1[P](O)(O)=O; C[C@H]1[C@H
    ](O1)P(=O)(O)O; O=P(O)(O)C1OC1C; CC1C(O1
    )P(=O)(O)O; C[CH]1O[CH]1[P](O)(O)=O    		 FOSFOMYCIN;
    1,2-EPOXYPROPYLPHOSPHONIC ACID
    20591 FCO 194 C3 Fe N2 O InChI=1S/2CN.CO.Fe/c3*1-2
    ;;
    VBQUCMTXYFMTTE-UHFFFAOYSA-N    		 C(#N)[Fe](=C=O)C#N; N#C\[Fe](C#N)=C=O; O
    =C=[Fe](C#N)C#N    		 CARBONMONOXIDE-(DICYANO) IRON
    20592 FCP
    DB07761
    ZINC000003581444    		 1 C21 H23 F2 N5 O2 InChI=1S/C21H23F2N5O2/c1-
    28(2)11-15(29)12-30-16-8-
    6-14(7-9-16)26-19-10-20(2
    5-13-24-19)27-21-17(22)4-
    3-5-18(21)23/h3-10,13,15,
    29H,11-12H2,1-2H3,(H2,24,
    25,26,27)/t15-/m1/s1;
    ZVSBKYYVBCKDBO-OAHLLOKOSA-N    		 CN(C)C[C@@H](O)COc1ccc(Nc2cc(Nc3c(F)cccc
    3F)ncn2)cc1; CN(C)C[CH](O)COc1ccc(Nc2cc(
    Nc3c(F)cccc3F)ncn2)cc1; CN(C)CC(COc1ccc(
    cc1)Nc2cc(ncn2)Nc3c(cccc3F)F)O; Fc1cccc(
    F)c1Nc3ncnc(Nc2ccc(OCC(O)CN(C)C)cc2)c3;
    CN(C)C[C@H](COc1ccc(cc1)Nc2cc(ncn2)Nc3c(
    cccc3F)F)O    		 (2R)-1-[4-({6-[(2,6-DIFLUOROPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)PHENOXY]-3-(DIMETHYLAMINO)PROPAN-2-OL
    20593 FCQ
    CHEMBL4540226    		 1 C22 H25 N7 S InChI=1S/C22H25N7S/c1-14(
    2)18-19-20(29-28-18)21(27
    -22(26-19)30-12-10-23)25-
    13-15-6-8-16(9-7-15)17-5-
    3-4-11-24-17/h3-9,11,14H,
    10,12-13,23H2,1-2H3,(H,28
    ,29)(H,25,26,27);
    PCQPAKMJSYGXRE-UHFFFAOYSA-N    		 CC(C)c1c2c(c(nc(n2)SCCN)NCc3ccc(cc3)c4cc
    ccn4)n[nH]1; CC(C)c1[nH]nc2c(NCc3ccc(cc3
    )c4ccccn4)nc(SCCN)nc12    		 5-(2-azanylethylsulfanyl)-3-propan-2-yl-~{N}-[(4-pyridin-2-ylphenyl)methyl]-2~{H}-pyrazolo[4,3-d]pyrimidin-7-amine
    20594 FCR
    CHEMBL539165
    DB03610
    ZINC000001847459    		 3 C7 H5 F3 O InChI=1S/C7H5F3O/c8-7(9,1
    0)5-1-3-6(11)4-2-5/h1-4,1
    1H;
    BAYGVMXZJBFEMB-UHFFFAOYSA-N    		 c1cc(ccc1C(F)(F)F)O; Oc1ccc(cc1)C(F)(F)F
    ; FC(F)(F)c1ccc(O)cc1    		 ALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOL
    20595 FCS 1 C21 H23 F2 N5 O2 InChI=1S/C21H23F2N5O2/c1-
    5-7-28-17-11-24-21(25-14-
    9-15(22)18(29)16(23)10-14
    )26-19(17)27(8-6-12(2)3)1
    3(4)20(28)30/h1,9-13,29H,
    6-8H2,2-4H3,(H,24,25,26)/
    t13-/m0/s1;
    IHZPRIAIJQSUAF-ZDUSSCGKSA-N    		 CC(C)CCN1[CH](C)C(=O)N(CC#C)c2cnc(Nc3cc(
    F)c(O)c(F)c3)nc12; n1c(nc2c(c1)N(C(C(C)N
    2CCC(C)C)=O)CC#C)Nc3cc(c(c(c3)F)O)F; C[C
    @H]1C(=O)N(c2cnc(nc2N1CCC(C)C)Nc3cc(c(c(
    c3)F)O)F)CC#C; CC1C(=O)N(c2cnc(nc2N1CCC(
    C)C)Nc3cc(c(c(c3)F)O)F)CC#C; CC(C)CCN1[C
    @@H](C)C(=O)N(CC#C)c2cnc(Nc3cc(F)c(O)c(F
    )c3)nc12    		 (7S)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-8-(3-methylbutyl)-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one
    20596 FCT 0 C18 H31 F O15 InChI=1S/C18H31FO15/c19-7
    -9(24)14(5(2-21)30-16(7)2
    9)33-18-13(28)11(26)15(6(
    3-22)32-18)34-17-12(27)10
    (25)8(23)4(1-20)31-17/h4-
    18,20-29H,1-3H2/t4-,5-,6-
    ,7-,8-,9-,10+,11-,12-,13-
    ,14-,15-,16+,17+,18+/m1/s
    1;
    BZNXZJAUEMJQJB-QSCMNUSVSA-N    		 OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)
    [C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](
    F)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[
    C@@H]1O; FC3C(O)C(OC2OC(C(OC1OC(CO)C(O)C
    (O)C1O)C(O)C2O)CO)C(OC3O)CO; OC[CH]1O[CH
    ](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH
    ]3[CH](O)[CH](F)[CH](O)O[CH]3CO)[CH](O)[
    CH](O)[CH]1O; C(C1C(C(C(C(O1)OC2C(OC(C(C
    2O)O)OC3C(OC(C(C3O)F)O)CO)CO)O)O)O)O; C(
    [C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@
    @H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H
    ]3[C@H](O[C@@H]([C@@H]([C@H]3O)F)O)CO)CO
    )O)O)O)O    		 DEOXY-2-FLUORO-B-D-CELLOTRIOSIDE
    20597 FCU 12 C26 H19 F3 N8 O3 InChI=1S/C26H19F3N8O3/c27
    -26(28,29)18-10-6-9-17(13
    -18)21(38)37-15-25(19-11-
    4-5-12-20(19)37,22(39)31-
    23-33-35-36-34-23)32-24(4
    0)30-14-16-7-2-1-3-8-16/h
    1-14H,15H2,(H,32,40)(H2,3
    1,33,34,35,36,39)/b30-14-
    /t25-/m1/s1;
    IOANIZJZIOBFFS-MDTWIARKSA-N    		 FC(F)(F)c1cccc(c1)C(=O)N2C[C](NC(=O)N=Cc
    3ccccc3)(C(=O)Nc4[nH]nnn4)c5ccccc25; O=C
    (Nc1nnn[NH]1)C1(NC(=O)\N=C/c2ccccc2)CN(C
    (=O)c2cccc(c2)C(F)(F)F)c2ccccc21; c1ccc(
    cc1)/C=N\C(=O)N[C@@]2(CN(c3c2cccc3)C(=O)
    c4cccc(c4)C(F)(F)F)C(=O)Nc5[nH]nnn5; FC(
    F)(F)c1cccc(c1)C(=O)N2C[C@](NC(=O)N=Cc3c
    cccc3)(C(=O)Nc4[nH]nnn4)c5ccccc25; c1ccc
    (cc1)C=NC(=O)NC2(CN(c3c2cccc3)C(=O)c4ccc
    c(c4)C(F)(F)F)C(=O)Nc5[nH]nnn5    		 (3S)-3-({[(Z)-phenylmethylidene]carbamoyl}amino)-N-(1H-tetrazol-5-yl)-1-[3-(trifluoromethyl)benzoyl]-2,3-dihydro-1H-indole-3-carboxamide
    20598 FCV
    CHEMBL4456585    		 1 C18 H13 F2 N3 O3 S InChI=1S/C18H13F2N3O3S/c1
    9-14-10-12(16-6-3-4-8-21-
    16)9-13(11-14)18(24)22-23
    -27(25,26)17-7-2-1-5-15(1
    7)20/h1-11,23H,(H,22,24);
    QLXULUNLCRKWRD-UHFFFAOYSA-N    		 c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cc(cc(c2)
    F)c3ccccn3; Fc1cc(cc(c1)c2ccccn2)C(=O)NN
    [S](=O)(=O)c3ccccc3F; c3ccnc(c2cc(C(=O)N
    NS(c1ccccc1F)(=O)=O)cc(c2)F)c3    		 3-fluoro-N'-[(2-fluorophenyl)sulfonyl]-5-(pyridin-2-yl)benzohydrazide
    20599 FCW
    CHEMBL4577264
    ZINC000145480932    		 1 C14 H17 N O InChI=1S/C14H17NO/c16-14-
    9-12-8-11(6-7-13(12)15-14
    )10-4-2-1-3-5-10/h6-8,10H
    ,1-5,9H2,(H,15,16);
    GAMOWVPYWCFRMK-UHFFFAOYSA-N    		 c1cc2c(cc1C3CCCCC3)CC(=O)N2; O=C1Cc2cc(c
    cc2N1)C3CCCCC3    		 5-cyclohexyl-1,3-dihydroindol-2-one
    20600 FCX
    ZINC000098208873    		 1 C23 H37 F N7 O18 P3 InChI=1S/C23H37FN7O18P3/c
    1-23(2,17(34)20(35)27-6-4
    -13(32)26-5-3-11(24)22(36
    )37)8-46-52(43,44)49-51(4
    1,42)45-7-12-16(48-50(38,
    39)40)15(33)21(47-12)31-1
    0-30-14-18(25)28-9-29-19(
    14)31/h9-12,15-17,21,33-3
    4H,3-8H2,1-2H3,(H,26,32)(
    H,27,35)(H,36,37)(H,41,42
    )(H,43,44)(H2,25,28,29)(H
    2,38,39,40)/t11-,12+,15+,
    16+,17-,21+/m0/s1;
    JYRBBNPCUSRRNJ-KFJQBOOGSA-N    		 O=C(O)C(F)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; CC(C)(COP(=O)(O)OP(=O)
    (O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(
    O)O)C(C(=O)NCCC(=O)NCCC(C(=O)O)F)O; 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@H](C(=O)NCCC(=O)NCC[C@@H](C(=O
    )O)F)O; CC(C)(CO[P@@](O)(=O)O[P@](O)(=O)
    OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)
    =O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=
    O)NCC[C@H](F)C(O)=O; CC(C)(CO[P](O)(=O)O
    [P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](
    O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=O)NCC
    C(=O)NCC[CH](F)C(O)=O    		 ALPHA-FLUORO-CARBOXYMETHYLDETHIA COENZYME A COMPLEX
    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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