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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    19801
    FE1
    CHEMBL1232702
    DB07765
    ZINC000053683191    		 7 C22 H26 N8 O3 InChI=1S/C22H26N8O3/c1-29
    (12-15-11-25-19-17(26-15)
    18(23)27-22(24)28-19)16-5
    -3-13(4-6-16)20(31)30-9-7
    -14(8-10-30)21(32)33-2/h3
    -6,11,14H,7-10,12H2,1-2H3
    ,(H4,23,24,25,27,28);
    UKCFUFHREWUXJJ-UHFFFAOYSA-N    		 O=C(c3ccc(N(Cc1nc2c(nc1)nc(nc2N)N)C)cc3)
    N4CCC(C(=O)OC)CC4; CN(Cc1cnc2c(n1)c(nc(n
    2)N)N)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC;
    COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(C)Cc3c
    nc4nc(N)nc(N)c4n3    		 METHYL 1-(4-{[(2,4-DIAMINOPTERIDIN-6-YL)METHYL](METHYL)AMINO}BENZOYL)PIPERIDINE-4-CARBOXYLATE;
    903R
    19802
    FE2
    DB14510    		 3797 Fe InChI=1S/Fe/q+2;
    CWYNVVGOOAEACU-UHFFFAOYSA-N    		 [Fe+2]; [Fe++] FE (II) ION
    19803
    FE3    		 0 C9 H10 Cl N O2 InChI=1S/C9H10ClNO2/c10-8
    -5-7(9(12)13)2-1-6(8)3-4-
    11/h1-2,5H,3-4,11H2,(H,12
    ,13);
    YJVHGANWEFKXDQ-UHFFFAOYSA-N    		 NCCc1ccc(cc1Cl)C(O)=O; c1cc(c(cc1C(=O)O)
    Cl)CCN; Clc1cc(ccc1CCN)C(=O)O    		 4-(2-aminoethyl)-3-chlorobenzoic acid
    19804
    FE5
    CHEMBL3545097
    DB11836
    ZINC000073069271    		 1 C15 H15 N7 O InChI=1S/C15H15N7O/c1-7(2
    )22-14-11(13(16)18-6-19-1
    4)12(21-22)8-3-4-10-9(5-8
    )20-15(17)23-10/h3-7H,1-2
    H3,(H2,17,20)(H2,16,18,19
    );
    GYLDXIAOMVERTK-UHFFFAOYSA-N    		 CC(C)n1c2c(c(n1)c3ccc4c(c3)nc(o4)N)c(ncn
    2)N; CC(C)n1nc(c2ccc3oc(N)nc3c2)c4c(N)nc
    nc14    		 5-(4-azanyl-1-propan-2-yl-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine
    19805
    FE6
    CHEMBL5266569    		 1 C12 H8 Br Cl F N5 InChI=1S/C12H8BrClFN5/c13
    -7-2-1-6(9(15)3-7)5-20-11
    -8(4-17-20)10(14)18-12(16
    )19-11/h1-4H,5H2,(H2,16,1
    8,19);
    UKBISIPKUKNJKU-UHFFFAOYSA-N    		 Nc1nc(Cl)c2cnn(Cc3ccc(Br)cc3F)c2n1; c1cc
    (c(cc1Br)F)Cn2c3c(cn2)c(nc(n3)N)Cl    		 1-[(4-bromanyl-2-fluoranyl-phenyl)methyl]-4-chloranyl-pyrazolo[3,4-d]pyrimidin-6-amine
    19806
    FE7
    CHEMBL514409
    ZINC000003944221    		 5 C29 H32 N4 O3 S InChI=1S/C29H32N4O3S/c1-2
    -37(35,36)32-24-15-16-26-
    25(19-24)27(29(34)31-26)2
    8(22-9-5-3-6-10-22)30-23-
    13-11-21(12-14-23)20-33-1
    7-7-4-8-18-33/h3,5-6,9-16
    ,19,30,32H,2,4,7-8,17-18,
    20H2,1H3,(H,31,34)/b28-27
    -;
    GLDSKRNGVVYJAB-DQSJHHFOSA-N    		 CCS(=O)(=O)Nc1ccc2c(c1)C(=C(c3ccccc3)Nc4
    ccc(cc4)CN5CCCCC5)C(=O)N2; c\15c(NC(=O)C
    /1=C(\c2ccccc2)Nc3ccc(cc3)CN4CCCCC4)ccc(
    c5)NS(CC)(=O)=O; CC[S](=O)(=O)Nc1ccc2NC(
    =O)C(=C(Nc3ccc(CN4CCCCC4)cc3)c5ccccc5)c2
    c1; CC[S](=O)(=O)Nc1ccc2NC(=O)C(=C(Nc3cc
    c(CN4CCCCC4)cc3)/c5ccccc5)/c2c1; CCS(=O)
    (=O)Nc1ccc2c(c1)/C(=C(\c3ccccc3)/Nc4ccc(
    cc4)CN5CCCCC5)/C(=O)N2    		 N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide
    19807
    FE8    		 0 C33 H46 N8 O5 S InChI=1S/C33H46N8O5S/c34-
    31(45)28-21-47-20-25-10-4
    -2-8-23(25)17-40(16-22-7-
    1-3-9-24(22)19-42)18-30(4
    4)41-14-6-11-26(41)15-29(
    43)38-27(32(46)39-28)12-5
    -13-37-33(35)36/h1-4,7-10
    ,26-28,42H,5-6,11-21H2,(H
    2,34,45)(H,38,43)(H,39,46
    )(H4,35,36,37)/t26-,27+,2
    8+/m0/s1;
    IXLKCOMKHVAIOV-UPRLRBBYSA-N    		 [H]/N=C(/N)\NCCC[C@@H]1C(=O)N[C@H](CSCc2
    ccccc2CN(CC(=O)N3CCC[C@H]3CC(=O)N1)Cc4cc
    ccc4CO)C(=O)N; NC(=N)NCCC[C@H]1NC(=O)C[C
    @@H]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4ccccc4C
    SC[C@@H](NC1=O)C(N)=O; c1ccc2c(c1)CN(CC(
    =O)N3CCCC3CC(=O)NC(C(=O)NC(CSC2)C(=O)N)C
    CCNC(=N)N)Cc4ccccc4CO; NC(=N)NCCC[CH]1NC
    (=O)C[CH]2CCCN2C(=O)CN(Cc3ccccc3CO)Cc4cc
    ccc4CSC[CH](NC1=O)C(N)=O    		 (10~{S},14~{R},17~{S})-14-(3-carbamimidamidopropyl)-3-[[2-(hydroxymethyl)phenyl]methyl]-5,12,15-tris(oxidanylidene)-19-thia-3,6,13,16-tetrazatricyclo[19.4.0.0^{6,10}]pentacosa-1(21),22,24-triene-17-carboxamide
    19808
    FE9    		 15 C21 H23 Fe N6 O13 P S InChI=1S/C19H22N6O10P.2CO
    .Fe.H2O.H2S/c1-7-9(3-4-26
    )22-16(29)8(2)14(7)35-36(
    31,32)33-5-10-12(27)13(28
    )18(34-10)25-6-21-11-15(2
    5)23-19(20)24-17(11)30;2*
    1-2;;;/h6,10,12-13,18,27-
    28H,3,5H2,1-2H3,(H5,20,22
    ,23,24,29,30,31,32);;;;2*
    1H2/q;2*+1;+5;;/p-3/t10-,
    12-,13-,18-;;;;;/m1...../
    s1;
    AEHOAZNVUAGELD-VPXBKTNXSA-K    		 CC1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)
    OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4N
    =C(NC5=O)N)O)O)C)(C#[O+])(C#[O+])(O)S; C
    C1=C(O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[
    C@@H]2O)n3cnc4C(=O)NC(=Nc34)N)C(=C5CC(=O
    )[Fe++](O)(S)(C#[O+])(C#[O+])N5C1=O)C; C
    C1=C2CC(=O)[Fe+2](N2C(=O)C(=C1OP(=O)(O)O
    CC3C(C(C(O3)n4cnc5c4N=C(NC5=O)N)O)O)C)(C
    #[O+])(C#[O+])(O)S; CC1=C(O[P](O)(=O)OC[
    CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=N
    c34)N)C(=C5CC(=O)[Fe++](O)(S)(C#[O+])(C#
    [O+])N5C1=O)C    		 iron-guanylyl pyridinol cofactor
    19809
    FEA    		 5 Fe2 N3 O InChI=1S/2Fe.N3.O/c;;1-3-
    2;/q;+1;-1;;
    GTUZFHRZTDZJHZ-UHFFFAOYSA-N    		 [Fe]O[Fe]N=[N+]=[N-]; [N-]=[N+]=N[Fe]O[F
    e]    		 MONOAZIDO-MU-OXO-DIIRON
    19810
    FEB
    ZINC000058638640    		 28 C27 H51 N5 O7 InChI=1S/C27H51N5O7/c1-4-
    5-6-7-8-9-10-11-20(34)15-
    25(37)31-22(16-24(29)36)2
    7(39)32-21(12-13-23(28)35
    )26(38)30-19(17-33)14-18(
    2)3/h18-22,33-34H,4-17H2,
    1-3H3,(H2,28,35)(H2,29,36
    )(H,30,38)(H,31,37)(H,32,
    39)/t19-,20+,21-,22-/m0/s
    1;
    QHOKNKNDLHIBEV-LRSLUSHPSA-N    		 CCCCCCCCC[C@@H](O)CC(=O)N[C@@H](CC(N)=O)
    C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](CO)CC(
    C)C; O=C(NC(CC(C)C)CO)C(NC(=O)C(NC(=O)CC
    (O)CCCCCCCCC)CC(=O)N)CCC(=O)N; CCCCCCCCC
    [CH](O)CC(=O)N[CH](CC(N)=O)C(=O)N[CH](CC
    C(N)=O)C(=O)N[CH](CO)CC(C)C; CCCCCCCCCC(
    CC(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)N)C(=O)N
    C(CC(C)C)CO)O; CCCCCCCCC[C@H](CC(=O)N[C@
    @H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N
    [C@@H](CC(C)C)CO)O    		 N~2~-[(3R)-3-hydroxydodecanoyl]-L-asparaginyl-N~1~-[(1S)-1-(hydroxymethyl)-3-methylbutyl]-L-glutamamide;
    Fellutamide B, bound form
    19811
    FEC    		 80 C36 H36 Fe N4 O8 InChI=1S/C36H38N4O8.Fe/c1
    -17-21(5-9-33(41)42)29-14
    -27-19(3)22(6-10-34(43)44
    )30(39-27)15-28-20(4)24(8
    -12-36(47)48)32(40-28)16-
    31-23(7-11-35(45)46)18(2)
    26(38-31)13-25(17)37-29;/
    h13-16H,5-12H2,1-4H3,(H6,
    37,38,39,40,41,42,43,44,4
    5,46,47,48);/q;+4/p-2/b25
    -13-,26-13-,27-14-,28-15-
    ,29-14-,30-15-,31-16-,32-
    16-;;
    FEDZMOFKVKOYTI-RGGAHWMASA-L    		 Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CC
    C(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)CCC(
    =O)O)C)C(=C3C)CCC(=O)O; Cc1c(CCC(O)=O)c2
    C=C3C(=C(C)C4=[N+]3[Fe]56N7C(=CC8=[N+]5C
    (=Cc1n26)C(=C8CCC(O)=O)C)C(=C(CCC(O)=O)C
    7=C4)C)CCC(O)=O; Cc1c2cc3[n+]4c(cc5c(c(c
    6n5[Fe@]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(
    =C8CCC(=O)O)C)CCC(=O)O)C)C(=C3C)CCC(=O)O
    ; O=C(O)CCC1=C(C7=[N+]3C1=Cc5c(c(c6C=C8[
    N+]4=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O
    )O)C)C(=C8C)CCC(=O)O)C)CCC(=O)O)C; Cc1c(
    CCC(O)=O)c2C=C3C(=C(C)C4=[N+]3[Fe@]56N7C
    (=CC8=[N+]5C(=Cc1n26)C(=C8CCC(O)=O)C)C(=
    C(CCC(O)=O)C7=C4)C)CCC(O)=O    		 1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX;
    FE-COPROPORPHYRIN III
    19812
    FED    		 1 C27 H35 N9 O16 P2 InChI=1S/C27H35N9O16P2/c1
    -10-3-12-13(4-11(10)2)35(
    24-27(44,34-12)25(42)33-2
    6(43)32-24)5-14(37)18(39)
    15(38)6-49-53(45,46)52-54
    (47,48)50-7-16-19(40)20(4
    1)23(51-16)36-9-31-17-21(
    28)29-8-30-22(17)36/h3-4,
    8-9,14-16,18-20,23,34,37-
    41,44H,5-7H2,1-2H3,(H,45,
    46)(H,47,48)(H2,28,29,30)
    (H,33,42,43)/t14-,15+,16+
    ,18-,19+,20+,23+,27+/m0/s
    1;
    WTOYVZYXGAOYIM-QUWWARRSSA-N    		 Cc1cc2N[C]3(O)C(=O)NC(=O)N=C3N(C[CH](O)[
    CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[C
    H]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)
    c2cc1C; Cc1cc2c(cc1C)N(C3=NC(=O)NC(=O)C3
    (N2)O)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(
    C(O4)n5cnc6c5ncnc6N)O)O)O)O)O; O=C2NC(=O
    )N=C3N(c1cc(c(cc1NC23O)C)C)CC(O)C(O)C(O)
    COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45
    )N)C(O)C6O; Cc1cc2N[C@]3(O)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
    19813
    FEE
    CHEMBL231993
    ZINC000049942744    		 3 C39 H77 N O9 InChI=1S/C39H77NO9/c1-3-5
    -7-8-9-10-11-12-13-14-15-
    16-17-18-19-20-21-22-23-2
    4-26-28-34(43)40-31(35(44
    )32(42)27-25-6-4-2)30-48-
    39-38(47)37(46)36(45)33(2
    9-41)49-39/h31-33,35-39,4
    1-42,44-47H,3-30H2,1-2H3,
    (H,40,43)/t31-,32+,33+,35
    -,36-,37-,38+,39-/m0/s1;
    MPKIDHIOYNMFES-CLTBVUQJSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C
    @@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)
    O)[C@@H]([C@@H](CCCCC)O)O; CCCCCCCCCCCCC
    CCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO
    )[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O
    )CCCCC; CCCCCCCCCCCCCCCCCCCCCCCC(=O)NC(C
    OC1C(C(C(C(O1)CO)O)O)O)C(C(CCCCC)O)O; CC
    CCCCCCCCCCCCCCCCCCCCCC(=O)N[CH](CO[CH]1O
    [CH](CO)[CH](O)[CH](O)[CH]1O)[CH](O)[CH]
    (O)CCCCC; O=C(NC(COC1OC(C(O)C(O)C1O)CO)C
    (O)C(O)CCCCC)CCCCCCCCCCCCCCCCCCCCCCC    		 N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyoctyl}tetracosanamide
    19814
    FEF
    DB07766
    ZINC000044681972    		 6 C20 H19 N3 O4 InChI=1S/C20H19N3O4/c24-1
    1-12(25)9-10-27-23-18-14-
    6-2-4-8-16(14)21-19(18)17
    -13-5-1-3-7-15(13)22-20(1
    7)26/h1-8,12,21,24-25H,9-
    11H2,(H,22,26)/b19-17-,23
    -18+/t12-/m1/s1;
    RKUMZEVCWKZXFV-YOCZKUTFSA-N    		 OC[C@H](O)CCO/N=C1/C(Nc2ccccc12)=C3/C(=O
    )Nc4ccccc34; O=C2C(\c1ccccc1N2)=C4\C(=N\
    OCCC(O)CO)\c3ccccc3N4; c1ccc2c(c1)/C(=C/
    3\C(=N\OCC[C@H](CO)O)\c4ccccc4N3)/C(=O)N
    2; c1ccc2c(c1)C(=C3C(=NOCCC(CO)O)c4ccccc
    4N3)C(=O)N2; OC[CH](O)CCON=C1C(Nc2ccccc1
    2)=C3C(=O)Nc4ccccc34    		 (2Z,3E)-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-{O-[(3R)-3,4-DIHYDROXYBUTYL]OXIME}
    19815
    FEG
    ZINC000058650286    		 17 C19 H23 N6 O11 P InChI=1S/C19H23N6O11P/c1-
    6-8(3-10(26)27)22-16(30)7
    (2)14(6)36-37(32,33)34-4-
    9-12(28)13(29)18(35-9)25-
    5-21-11-15(25)23-19(20)24
    -17(11)31/h5,9,12-13,18,2
    8-29H,3-4H2,1-2H3,(H,22,3
    0)(H,26,27)(H,32,33)(H3,2
    0,23,24,31)/t9-,12-,13-,1
    8-/m1/s1;
    GTHOTKPHMGEHFD-ACDAHVMNSA-N    		 Cc1c(nc(c(c1O[P@@](=O)(O)OCC2[C@H]([C@H]
    (C(O2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)
    O; O=C(O)Cc4nc(O)c(c(OP(=O)(O)OCC3OC(n2c
    nc1c2N=C(N)NC1=O)C(O)C3O)c4C)C; Cc1c(O)n
    c(CC(O)=O)c(C)c1O[P](O)(=O)OC[CH]2O[CH](
    [CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N; Cc1
    c(O)nc(CC(O)=O)c(C)c1O[P@](O)(=O)OC[C@H]
    2O[C@H]([C@H](O)[C@@H]2O)n3cnc4C(=O)NC(=
    Nc34)N; Cc1c(nc(c(c1OP(=O)(O)OCC2C(C(C(O
    2)n3cnc4c3N=C(NC4=O)N)O)O)C)O)CC(=O)O    		 5'-O-[(S)-{[2-(carboxymethyl)-6-hydroxy-3,5-dimethylpyridin-4-yl]oxy}(hydroxy)phosphoryl]guanosine
    19816
    FEH
    ZINC000000391853    		 20 C8 H10 O2 InChI=1S/C8H10O2/c9-6-8(1
    0)7-4-2-1-3-5-7/h1-5,8-10
    H,6H2/t8-/m0/s1;
    PWMWNFMRSKOCEY-QMMMGPOBSA-N    		 c1ccc(cc1)C(CO)O; OC(c1ccccc1)CO; OC[C@H
    ](O)c1ccccc1; c1ccc(cc1)[C@H](CO)O; OC[C
    H](O)c1ccccc1    		 (1R)-1-phenylethane-1,2-diol
    19817
    FEI    		 1 C37 H46 N6 O10 S2 InChI=1S/C37H46N6O10S2/c1
    -7-24-23(6)36(46)43-31(24
    )18-29-22(5)27(10-12-35(4
    5)39-14-16-55(51,52)53)33
    (41-29)19-32-26(9-11-34(4
    4)38-13-15-54(48,49)50)21
    (4)28(40-32)17-30-20(3)25
    (8-2)37(47)42-30/h7-8,17-
    18,40-41H,1-2,9-16,19H2,3
    -6H3,(H,38,44)(H,39,45)(H
    ,42,47)(H,43,46)(H,48,49,
    50)(H,51,52,53)/b30-17+,3
    1-18-;
    IVYBPZIDQLNIHQ-NAJGKWLASA-N    		 CC1=C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C
    4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)NCC[S](O)
    (=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C; CC1
    =C(C=C)/C(NC1=O)=C/c2[nH]c(Cc3[nH]c(\C=C
    /4NC(=O)C(=C/4C)C=C)c(C)c3CCC(=O)NCC[S](
    O)(=O)=O)c(CCC(=O)NCC[S](O)(=O)=O)c2C; C
    c1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)Cc3c(
    c(c([nH]3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(=
    O)NCCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O; Cc
    1c(c([nH]c1/C=C/2\C(=C(C(=O)N2)C=C)C)Cc3
    c(c(c([nH]3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC
    (=O)NCCS(=O)(=O)O)CCC(=O)NCCS(=O)(=O)O    		 2-[3-[5-[(E)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-3-[3-oxidanylidene-3-(2-sulfoethylamino)propyl]-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoylamino]ethanesulfonic acid;
    bilirubin ditaurate
    19818
    FEJ    		 4 C14 H21 N2 O8 P InChI=1S/C14H21N2O8P/c1-7
    (2)12(17)11(14(19)20)16-5
    -10-9(6-24-25(21,22)23)4-
    15-8(3)13(10)18/h4-5,7,11
    -12,17-18H,6H2,1-3H3,(H,1
    9,20)(H2,21,22,23)/b16-5+
    /t11-,12-/m0/s1;
    VDGFQULJGQPRGZ-BGTSGQOBSA-N    		 CC(C)[CH](O)[CH](N=Cc1c(O)c(C)ncc1CO[P](
    O)(O)=O)C(O)=O; OP(O)(=O)OCc1cnc(c(c1[C@
    H]=NC(C(C(C)C)O)C(O)=O)O)C; CC(C)[C@H](O
    )[C@H](N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O)C(
    O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(C(C(
    C)C)O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O
    )/C=N/[C@@H]([C@H](C(C)C)O)C(=O)O)O    		 (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name);
    (2S,3S)-isopropylserine
    19819
    FEK    		 1 C7 H11 F O4 InChI=1S/C7H11FO4/c8-5-4(
    10)1-3(2-9)6(11)7(5)12/h1
    ,4-7,9-12H,2H2/t4-,5+,6+,
    7-/m1/s1;
    GCEFMEUYUSFIFI-JRTVQGFMSA-N    		 C1=C([C@@H]([C@@H]([C@H](C1O)F)O)O)CO; C
    1=C(C(C(C(C1O)F)O)O)CO; OCC1=C[CH](O)[CH
    ](F)[CH](O)[CH]1O; OCC1=C[C@@H](O)[C@H](
    F)[C@@H](O)[C@H]1O    		 (1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol
    19820
    FEL    		 6 Fe H6 O3 InChI=1S/Fe.3H2O/h;3*1H2/
    q+3;;;;
    MSNWSDPPULHLDL-UHFFFAOYSA-N    		 O.O.O.[Fe+3]; [OH2][Fe+3]([OH2])[OH2] HYDRATED FE
    19821
    FEM    		 2 C16 H17 Fe N O2 InChI=1S/C11H12NO2.C5H5.F
    e/c13-10-5-6-11(14)12(10)
    8-7-9-3-1-2-4-9;1-2-4-5-3
    -1;/h1-4H,5-8H2;1-5H;;
    OWBVXAMOKWDXAV-UHFFFAOYSA-N    		 C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567891([C
    H]3=[CH]5C64)[CH]2=[CH]7C8[CH]9=[CH]12;
    O=C1CCC(=O)N1CCC2=C[C@@H]([Fe]C3C=CC=C3)
    C=C2; C1CC(=O)N(C1=O)CCC23=[CH]4[Fe]2567
    891([C@H]4[CH]5=[CH]63)[CH]2=[CH]7C8[CH]
    9=[CH]12; O=C1CCC(=O)N1CCC2=C[CH]([Fe]C3
    C=CC=C3)C=C2    		 N-(2-FERROCENYLETHYL)MALEIMIDE
    19822
    FEN
    CHEMBL7301
    DB05076
    ZINC000003871023    		 1 C26 H33 N O2 InChI=1S/C26H33NO2/c1-19(
    11-16-24-21(3)10-7-17-26(
    24,4)5)8-6-9-20(2)18-25(2
    9)27-22-12-14-23(28)15-13
    -22/h6,8-9,11-16,18,28H,7
    ,10,17H2,1-5H3,(H,27,29)/
    b9-6+,16-11+,19-8+,20-18+;
    AKJHMTWEGVYYSE-FXILSDISSA-N    		 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)Nc2
    ccc(cc2)O)C)C; CC1=C(\C=C\C(C)=C\C=C\C(C
    )=C\C(=O)Nc2ccc(O)cc2)C(C)(C)CCC1; CC1=C
    (C=CC(C)=CC=CC(C)=CC(=O)Nc2ccc(O)cc2)C(C
    )(C)CCC1; O=C(Nc1ccc(O)cc1)\C=C(\C=C\C=C
    (\C=C\C2=C(CCCC2(C)C)C)C)C; CC1=C(C(CCC1
    )(C)C)\C=C\C(=C\C=C\C(=C\C(=O)Nc2ccc(cc2
    )O)\C)\C    		 N-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDE
    19823
    FEO    		 161 Fe2 O InChI=1S/2Fe.O;
    NPMYUMBHPJGBFA-UHFFFAOYSA-N    		 [Fe]O[Fe]; O([Fe])[Fe] MU-OXO-DIIRON
    19824
    FEP
    CHEMBL1161222
    DB04204
    ZINC000002043451    		 1 C18 H20 F4 O6 P2 InChI=1S/C18H20F4O6P2/c19
    -17(20,29(23,24)25)15-9-5
    -13(6-10-15)3-1-2-4-14-7-
    11-16(12-8-14)18(21,22)30
    (26,27)28/h5-12H,1-4H2,(H
    2,23,24,25)(H2,26,27,28);
    SRHSAABKYJDBDV-UHFFFAOYSA-N    		 FC(F)(c1ccc(cc1)CCCCc2ccc(cc2)C(F)(F)P(=
    O)(O)O)P(=O)(O)O; O[P](O)(=O)C(F)(F)c1cc
    c(CCCCc2ccc(cc2)C(F)(F)[P](O)(O)=O)cc1;
    c1cc(ccc1CCCCc2ccc(cc2)C(F)(F)P(=O)(O)O)
    C(F)(F)P(=O)(O)O    		 [(4-{4-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-BUTYL}-PHENYL)-DIFLUORO-METHYL]-PHOSPHONIC ACID
    19825
    FEQ    		 1 C13 H13 F N2 O8 InChI=1S/C13H13FN2O8/c14-
    11-10(3-6(5-17)12(18)13(1
    1)19)24-9-2-1-7(15(20)21)
    4-8(9)16(22)23/h1-4,10-13
    ,17-19H,5H2/t10-,11-,12-,
    13+/m0/s1;
    WVAYSDIDYBKDLD-ZDEQEGDKSA-N    		 c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])OC2C
    =C(C(C(C2F)O)O)CO; OCC1=C[C@H](Oc2ccc(cc
    2[N+]([O-])=O)[N+]([O-])=O)[C@H](F)[C@@H
    ](O)[C@H]1O; OCC1=C[CH](Oc2ccc(cc2[N+]([
    O-])=O)[N+]([O-])=O)[CH](F)[CH](O)[CH]1O
    ; c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])O[
    C@H]2C=C([C@@H]([C@@H]([C@H]2F)O)O)CO    		 (1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol
    19826
    FER
    CHEMBL32749
    DB07767
    ZINC000000058258    		 47 C10 H10 O4 InChI=1S/C10H10O4/c1-14-9
    -6-7(2-4-8(9)11)3-5-10(12
    )13/h2-6,11H,1H3,(H,12,13
    )/b5-3+;
    KSEBMYQBYZTDHS-HWKANZROSA-N    		 COc1cc(ccc1O)\C=C\C(=O)O; COc1cc(ccc1O)C
    =CC(=O)O; COc1cc(\C=C\C(O)=O)ccc1O; O=C(
    O)\C=C\c1cc(OC)c(O)cc1; COc1cc(C=CC(O)=O
    )ccc1O    		 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID;
    FERULIC ACID
    19827
    FES    		 3066 Fe2 S2 InChI=1S/2Fe.2S;
    NIXDOXVAJZFRNF-UHFFFAOYSA-N    		 [Fe]1S[Fe]S1; S1[Fe]S[Fe]1 FE2/S2 (INORGANIC) CLUSTER
    19828
    FEU    		 1 C14 H11 Cl F3 N5 O InChI=1S/C14H11ClF3N5O/c1
    -24-10-4-8(14(16,17)18)3-
    2-7(10)6-23-12-9(5-20-23)
    11(15)21-13(19)22-12/h2-5
    H,6H2,1H3,(H2,19,21,22);
    CRNFGOLKBZYMGM-UHFFFAOYSA-N    		 COc1cc(ccc1Cn2ncc3c(Cl)nc(N)nc23)C(F)(F)
    F; COc1cc(ccc1Cn2c3c(cn2)c(nc(n3)N)Cl)C(
    F)(F)F    		 4-chloranyl-1-[[2-methoxy-4-(trifluoromethyl)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
    19829
    FEV    		 2 C13 H17 N2 O7 P InChI=1S/C13H17N2O7P/c1-3
    -4-11(13(17)18)15-6-10-9(
    7-22-23(19,20)21)5-14-8(2
    )12(10)16/h4-6,16H,3,7H2,
    1-2H3,(H,17,18)(H2,19,20,
    21)/b11-4+,15-6+;
    GKBVRDDWDGNBFQ-VVUJNEFVSA-N    		 OP(O)(=O)OCc1cnc(c(c1[C@H]=N\C(=C\CC)C(O
    )=O)O)C; CCC=C(C(=O)O)N=Cc1c(cnc(c1O)C)C
    OP(=O)(O)O; CCC=C(N=Cc1c(O)c(C)ncc1CO[P]
    (O)(O)=O)C(O)=O; CC/C=C(/N=Cc1c(O)c(C)nc
    c1CO[P](O)(O)=O)C(O)=O; CC/C=C(\C(=O)O)/
    N=C/c1c(cnc(c1O)C)COP(=O)(O)O    		 (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid
    19830
    FEW
    CHEMBL4168305    		 2 C31 H31 F3 N6 O InChI=1S/C31H31F3N6O/c1-2
    1(2)28-7-5-24(16-23(28)4-
    6-27-18-36-29-19-35-8-9-4
    0(27)29)30(41)37-26-15-22
    (14-25(17-26)31(32,33)34)
    20-39-12-10-38(3)11-13-39
    /h5,7-9,14-19,21H,10-13,2
    0H2,1-3H3,(H,37,41);
    IUGBGEUCXVKGQK-UHFFFAOYSA-N    		 CC(C)c1ccc(cc1C#Cc2cnc3n2ccnc3)C(=O)Nc4c
    c(cc(c4)C(F)(F)F)CN5CCN(CC5)C; CC(C)c1cc
    c(cc1C#Cc2cnc3cnccn23)C(=O)Nc4cc(CN5CCN(
    C)CC5)cc(c4)C(F)(F)F    		 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-~{N}-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-propan-2-yl-benzamide
    19831
    FEX
    ZINC000038377607    		 1 C32 H38 N2 O3 InChI=1S/C32H38N2O3/c1-33
    (2)29-19-17-27(18-20-29)2
    6-15-12-25(13-16-26)23-34
    (32(36)28-9-5-4-6-10-28)3
    0-11-7-8-24(22-30)14-21-3
    1(35)37-3/h7-8,11-13,15-2
    0,22,28H,4-6,9-10,14,21,2
    3H2,1-3H3;
    GXGGBYHHVMOCJL-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)c2ccc(cc2)CN(c3cccc(c3)CC
    C(=O)OC)C(=O)C4CCCCC4; O=C(N(c1cccc(c1)C
    CC(=O)OC)Cc3ccc(c2ccc(N(C)C)cc2)cc3)C4CC
    CCC4; COC(=O)CCc1cccc(c1)N(Cc2ccc(cc2)c3
    ccc(cc3)N(C)C)C(=O)C4CCCCC4    		 METHYL 3-{3-[(CYCLOHEXYLCARBONYL){[4'-(DIMETHYLAMINO)BIPHENYL-4-YL]METHYL}AMINO]PHENYL}ACRYLATE;
    FEXARAMINE
    19832
    FEY    		 3 C30 H44 N4 O9 S InChI=1S/C30H44N4O9S/c1-1
    9(2)14-23(27(37)32-24(28(
    38)44(40,41)42)16-21-8-11
    -31-26(21)36)33-29(39)43-
    22-17-30(18-22)9-12-34(13
    -10-30)25(35)15-20-6-4-3-
    5-7-20/h3-7,19,21-24,28,3
    8H,8-18H2,1-2H3,(H,31,36)
    (H,32,37)(H,33,39)(H,40,4
    1,42)/t21-,23-,24-,28+/m0
    /s1;
    YKVWDIALSLITCN-YZIKFRCASA-N    		 CC(C)C[C@H](NC(=O)OC1CC2(CCN(CC2)C(=O)Cc
    3ccccc3)C1)C(=O)N[C@@H](C[C@@H]4CCNC4=O)
    [C@H](O)[S](O)(=O)=O; O=C1NCCC1CC(NC(=O)
    C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2cc
    ccc2)C1)C(O)S(=O)(=O)O; CC(C)CC(C(=O)NC(
    CC1CCNC1=O)C(O)S(=O)(=O)O)NC(=O)OC2CC3(C
    2)CCN(CC3)C(=O)Cc4ccccc4; CC(C)C[CH](NC(
    =O)OC1CC2(CCN(CC2)C(=O)Cc3ccccc3)C1)C(=O
    )N[CH](C[CH]4CCNC4=O)[CH](O)[S](O)(=O)=O
    ; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC
    1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2CC3(C2)
    CCN(CC3)C(=O)Cc4ccccc4    		 (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    19833
    FEZ    		 3 C22 H30 O4 InChI=1S/C22H30O4/c1-15(2
    )19-11-13-22(4,25)12-5-6-
    16(3)14-20(19)26-21(24)17
    -7-9-18(23)10-8-17/h6-11,
    13,15,19-20,23,25H,5,12,1
    4H2,1-4H3/b13-11-,16-6-/t
    19-,20+,22+/m1/s1;
    AVRRAMZPNSQDIW-TUNDKXTFSA-N    		 CC1=CCCC(C=CC(C(C1)OC(=O)c2ccc(cc2)O)C(C
    )C)(C)O; CC(C)[CH]1C=C[C](C)(O)CCC=C(C)C
    [CH]1OC(=O)c2ccc(O)cc2; CC(C)[C@H]1\C=C/
    [C@@](C)(O)CC\C=C(C)/C[C@@H]1OC(=O)c2ccc
    (O)cc2; C1CC=C(C)CC(C(C=CC1(C)O)C(C)C)OC
    (=O)c2ccc(O)cc2; C/C/1=C/CC[C@](/C=C\[C@
    @H]([C@H](C1)OC(=O)c2ccc(cc2)O)C(C)C)(C)
    O    		 (1S,2S,3Z,5S,8Z)-5-hydroxy-5,9-dimethyl-2-(propan-2-yl)cyclodeca-3,8-dien-1-yl 4-hydroxybenzoate;
    FEROLINE
    19834
    FF0
    ZINC000098208882    		 0 C19 H26 N2 O InChI=1S/C19H26N2O/c20-18
    (14-17-10-5-2-6-11-17)19(
    22)15-21-13-7-12-16-8-3-1
    -4-9-16/h1-6,8-11,18-19,2
    1-22H,7,12-15,20H2/t18-,1
    9+/m0/s1;
    NRTSLRUGZPIIHM-RBUKOAKNSA-N    		 OC(C(N)Cc1ccccc1)CNCCCc2ccccc2; c1ccc(cc
    1)CCCNC[C@H]([C@H](Cc2ccccc2)N)O; N[C@@H
    ](Cc1ccccc1)[C@H](O)CNCCCc2ccccc2; N[CH]
    (Cc1ccccc1)[CH](O)CNCCCc2ccccc2; c1ccc(c
    c1)CCCNCC(C(Cc2ccccc2)N)O    		 (2R,3S)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol
    19835
    FF1
    ZINC000584905581    		 1 C30 H29 F N6 O3 InChI=1S/C30H29FN6O3/c1-1
    6-5-4-6-17(2)22(16)11-12-
    32-28(38)23-14-19(7-9-24(
    23)31)27-26(18(3)34-30(40
    )36-27)29(39)35-21-8-10-2
    5-20(13-21)15-33-37-25/h4
    -10,13-15,27H,11-12H2,1-3
    H3,(H,32,38)(H,33,37)(H,3
    5,39)(H2,34,36,40)/t27-/m
    0/s1;
    QTCMCOOGSCOKGD-MHZLTWQESA-N    		 CC1=C([C@@H](NC(=O)N1)c2ccc(F)c(c2)C(=O)
    NCCc3c(C)cccc3C)C(=O)Nc4ccc5[nH]ncc5c4;
    Cc1cccc(c1CCNC(=O)c2cc(ccc2F)C3C(=C(NC(=
    O)N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C; Cc1cc
    cc(c1CCNC(=O)c2cc(ccc2F)[C@H]3C(=C(NC(=O
    )N3)C)C(=O)Nc4ccc5c(c4)cn[nH]5)C; CC1=C(
    [CH](NC(=O)N1)c2ccc(F)c(c2)C(=O)NCCc3c(C
    )cccc3C)C(=O)Nc4ccc5[nH]ncc5c4    		 (4~{S})-4-[3-[2-(2,6-dimethylphenyl)ethylcarbamoyl]-4-fluoranyl-phenyl]-~{N}-(1~{H}-indazol-5-yl)-6-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-pyrimidine-5-carboxamide
    19836
    FF2
    CHEMBL2403448
    ZINC000096924290    		 8 C9 H6 Cl N O2 S InChI=1S/C9H6ClNO2S/c10-6
    -2-1-3-7-5(6)4-8(14-7)9(1
    2)11-13/h1-4,13H,(H,11,12
    );
    IHGVZTXLHUWVIA-UHFFFAOYSA-N    		 c1cc2c(cc(s2)C(=O)NO)c(c1)Cl; ONC(=O)c1s
    c2cccc(Cl)c2c1    		 4-chloranyl-~{N}-oxidanyl-1-benzothiophene-2-carboxamide
    19837
    FF3
    CHEMBL258256    		 1 C3 H4 F2 N4 O2 S2 InChI=1S/C3H4F2N4O2S2/c4-
    3(5,13(7,10)11)1-8-9-2(6)
    12-1/h(H2,6,9)(H2,7,10,11
    );
    XGFIHSGMBUMCQS-UHFFFAOYSA-N    		 O=S(=O)(N)C(F)(F)c1nnc(s1)N; Nc1sc(nn1)C
    (F)(F)[S](N)(=O)=O; c1(nnc(s1)N)C(F)(F)S
    (=O)(=O)N    		 1-(5-AMINO-1,3,4-THIADIAZOL-2-YL)-1,1-DIFLUOROMETHANESULFONAMIDE
    19838
    FF4    		 1 C10 H17 F N3 O12 P3 InChI=1S/C10H17FN3O12P3/c
    11-9(27(17,18)19)28(20,21
    )26-29(22,23)24-4-6-5(15)
    3-8(25-6)14-2-1-7(12)13-1
    0(14)16/h1-2,5-6,8-9,15H,
    3-4H2,(H,20,21)(H,22,23)(
    H2,12,13,16)(H2,17,18,19)
    /t5-,6+,8+,9-/m0/s1;
    CDDSHZIEMFLZDN-LWIVVEGESA-N    		 NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](C
    O[P](O)(=O)O[P](O)(=O)[C@@H](F)[P](O)(O)
    =O)O2; C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)C
    OP(=O)(O)OP(O)(C(F)P(O)(O)=O)=O; NC1=NC(
    =O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)
    O[P](O)(=O)[CH](F)[P](O)(O)=O)O2; C1[C@@
    H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(
    O)OP(=O)([C@@H](F)P(=O)(O)O)O)O; C1C(C(O
    C1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)P
    (=O)(O)O)O)O    		 2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
    19839
    FF5    		 1 C19 H24 N4 O5 S InChI=1S/C19H24N4O5S/c1-1
    4(24)21-12-2-3-13-28-17-8
    -4-15(5-9-17)22-19(25)23-
    16-6-10-18(11-7-16)29(20,
    26)27/h4-11H,2-3,12-13H2,
    1H3,(H,21,24)(H2,20,26,27
    )(H2,22,23,25);
    CDBPPECJGAINPA-UHFFFAOYSA-N    		 CC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S](N
    )(=O)=O)cc1; CC(=O)NCCCCOc1ccc(cc1)NC(=O
    )Nc2ccc(cc2)S(=O)(=O)N    		 ~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]ethanamide
    19840
    FF7    		 1 C10 H17 Cl N3 O12 P3 InChI=1S/C10H17ClN3O12P3/
    c11-9(27(17,18)19)28(20,2
    1)26-29(22,23)24-4-6-5(15
    )3-8(25-6)14-2-1-7(12)13-
    10(14)16/h1-2,5-6,8-9,15H
    ,3-4H2,(H,20,21)(H,22,23)
    (H2,12,13,16)(H2,17,18,19
    )/t5-,6+,8+,9+/m0/s1;
    DDLGFLMLTFUPNR-HIORRCEOSA-N    		 NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P]
    (O)(=O)O[P](O)(=O)[CH](Cl)[P](O)(O)=O)O2
    ; C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)
    COP(=O)(O)OP(=O)([C@@H](P(=O)(O)O)Cl)O)O
    ; C=1(N)C=CN(C(N=1)=O)C2OC(C(C2)O)COP(=O
    )(O)OP(O)(C(P(O)(O)=O)Cl)=O; C1C(C(OC1N2
    C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(C(P(=O)(O
    )O)Cl)O)O; NC1=NC(=O)N(C=C1)[C@H]2C[C@H]
    (O)[C@@H](CO[P](O)(=O)O[P](O)(=O)[C@H](C
    l)[P](O)(O)=O)O2    		 5'-O-[(R)-{[(R)-[(R)-chloro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-2'-deoxycytidine
    19841
    FF8
    CHEMBL3774784
    ZINC000143640251    		 1 C22 H26 F N O4 InChI=1S/C22H26FNO4/c1-3-
    4-5-6-12-24-22(27)28-18-9
    -7-8-17(13-18)19-11-10-16
    (14-20(19)23)15(2)21(25)2
    6/h7-11,13-15H,3-6,12H2,1
    -2H3,(H,24,27)(H,25,26)/t
    15-/m0/s1;
    USQOVYLRWBOSQC-HNNXBMFYSA-N    		 CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc2F)[CH](C
    )C(O)=O; CCCCCCNC(=O)Oc1cccc(c1)c2ccc(cc
    2F)[C@H](C)C(O)=O; CCCCCCNC(=O)Oc1cccc(c
    1)c2ccc(cc2F)[C@H](C)C(=O)O; CCCCCCNC(=O
    )Oc1cccc(c1)c2ccc(cc2F)C(C)C(=O)O; c1(c(
    ccc(c1)C(C(O)=O)C)c2cc(ccc2)OC(=O)NCCCCC
    C)F    		 (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid
    19842
    FF9    		 0 C10 H18 N2 O4 InChI=1S/C10H18N2O4/c1-2-
    8(10(15)16)12-6-4-3-5-7(1
    1)9(13)14/h7H,2-6,11H2,1H
    3,(H,13,14)(H,15,16)/b12-
    8+/t7-/m0/s1;
    CWKRAMLJAYWANT-ZMMCGQQISA-N    		 CCC(=NCCCCC(C(=O)O)N)C(=O)O; CC/C(=N\CCC
    C[C@@H](C(=O)O)N)/C(=O)O; CCC(=NCCCC[CH]
    (N)C(O)=O)C(O)=O; CCC(=NCCCC[C@H](N)C(O)
    =O)C(O)=O    		 (2S)-2-azanyl-6-[(E)-(1-oxidanyl-1-oxidanylidene-butan-2-ylidene)amino]hexanoic acid
    19843
    FFA
    CHEMBL196228
    DB07768
    ZINC000004538008    		 6 C19 H28 O2 InChI=1S/C19H28O2/c1-18-9
    -7-13(20)11-12(18)3-4-14-
    15-5-6-17(21)19(15,2)10-8
    -16(14)18/h11,14-17,21H,3
    -10H2,1-2H3/t14-,15-,16-,
    17+,18-,19-/m0/s1;
    MUMGGOZAMZWBJJ-KZYORJDKSA-N    		 CC12CCC3C(C1CCC2O)CCC4=CC(=O)CCC34C; C[C
    ]12CC[CH]3[CH](CCC4=CC(=O)CC[C]34C)[CH]1
    CC[CH]2O; O=C4C=C3C(C2CCC1(C(CCC1O)C2CC3
    )C)(C)CC4; C[C@]12CC[C@H]3[C@H]([C@@H]1C
    C[C@H]2O)CCC4=CC(=O)CC[C@]34C; C[C@]12CC
    [C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]
    1CC[C@H]2O    		 (10ALPHA,13ALPHA,14BETA,17ALPHA)-17-HYDROXYANDROST-4-EN-3-ONE;
    EPI-TESTOSTERONE
    19844
    FFB
    DB02610    		 3 C14 H9 F5 N2 O3 S InChI=1S/C14H9F5N2O3S/c15
    -9-8(10(16)12(18)13(19)11
    (9)17)5-21-14(22)6-1-3-7(
    4-2-6)25(20,23)24/h1-4H,5
    H2,(H,21,22)(H2,20,23,24);
    LRKSHOLYETXPGY-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)NCc2c(c(c(c(c2F)F)F)F)F)S(
    =O)(=O)N; N[S](=O)(=O)c1ccc(cc1)C(=O)NCc
    2c(F)c(F)c(F)c(F)c2F; c1cc(ccc1C(=O)NCc2
    c(c(c(c(c2F)F)F)F)F)S(N)(=O)=O    		 N-(2,3,4,5,6-PENTAFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
    19845
    FFC    		 0 C12 H21 F O10 InChI=1S/C12H21FO10/c13-5
    -7(17)10(4(2-15)21-11(5)2
    0)23-12-9(19)8(18)6(16)3(
    1-14)22-12/h3-12,14-20H,1
    -2H2/t3-,4-,5-,6-,7-,8+,9
    -,10-,11+,12+/m1/s1;
    CHZBROHNUFSPPZ-FINXQLPQSA-N    		 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)F)O)C
    O)O)O)O)O; OC[CH]1O[CH](O[CH]2[CH](O)[CH
    ](F)[CH](O)O[CH]2CO)[CH](O)[CH](O)[CH]1O
    ; OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](
    F)[C@@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[
    C@@H]1O; FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C
    (OC2O)CO; C(C1C(C(C(C(O1)OC2C(OC(C(C2O)F
    )O)CO)O)O)O)O    		 2-DEOXY-2-FLUORO-B-D-CELLOBIOSIDE
    19846
    FFD
    ZINC000058633183    		 0 C11 H14 F O6 P InChI=1S/C11H14FO6P/c12-8
    -3-1-2-7(4-8)10-5-9(13)11
    (18-10)6-17-19(14,15)16/h
    1-4,9-11,13H,5-6H2,(H2,14
    ,15,16)/t9-,10+,11+/m0/s1;
    IUYVDQFSAYHTRM-HBNTYKKESA-N    		 c1cc(cc(c1)F)[C@H]2C[C@@H]([C@H](O2)COP(
    =O)(O)O)O; c1cc(cc(c1)F)C2CC(C(O2)COP(=O
    )(O)O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)
    (O)=O)c2cccc(F)c2; O=P(OCC2OC(c1cccc(F)c
    1)CC2O)(O)O; O[CH]1C[CH](O[CH]1CO[P](O)(
    O)=O)c2cccc(F)c2    		 (1R)-1,4-anhydro-2-deoxy-1-(3-fluorophenyl)-5-O-phosphono-D-erythro-pentitol
    19847
    FFE    		 0 Fe3 H11 O13 InChI=1S/3Fe.11H2O.2O/h;;
    ;11*1H2;;/q+2;+4;+5;;;;;;
    ;;;;;;;/p-11;
    WDCOXZGBZIBJBW-UHFFFAOYSA-C    		 O[Fe](O)(O[Fe](O)(O)(O)O)O[Fe](O)(O)(O)(
    O)O; O[Fe@](O)(O[Fe](O)(O)(O)O)O[Fe](O)(
    O)(O)(O)O    		 [bis(oxidanyl)-[tetrakis(oxidanyl)ferriooxy]ferrio]oxy-pentakis(oxidanyl)iron
    19848
    FFF
    DB02808
    ZINC000002047050    		 1 C15 H25 F3 O7 P2 InChI=1S/C15H25F3O7P2/c1-
    12(2)6-4-7-13(3)8-5-9-14(
    15(16,17)18)10-11-24-27(2
    2,23)25-26(19,20)21/h6,8,
    10H,4-5,7,9,11H2,1-3H3,(H
    ,22,23)(H2,19,20,21)/b13-
    8+,14-10-;
    PXLMLAFPAPGGKK-GVCYOOEQSA-N    		 CC(C)=CCCC(C)=CCCC(=CCO[P](O)(=O)O[P](O)
    (O)=O)C(F)(F)F; CC(C)=CCC/C(C)=C/CC/C(=C
    /CO[P@@](O)(=O)O[P](O)(O)=O)C(F)(F)F; CC
    (=CCC/C(=C/CC/C(=C/CO[P@](=O)(O)OP(=O)(O
    )O)/C(F)(F)F)/C)C; CC(=CCCC(=CCCC(=CCOP(
    =O)(O)OP(=O)(O)O)C(F)(F)F)C)C; FC(F)(F)/
    C(=C\COP(=O)(OP(=O)(O)O)O)CC\C=C(/C)CC\C
    =C(/C)C    		 TRIFLUOROFURNESYL DIPHOSPHATE
    19849
    FFG
    CHEMBL577677
    ZINC000049709720    		 1 C32 H28 F3 N7 O3 InChI=1S/C32H28F3N7O3/c33
    -32(34,35)28-26-13-15-41(
    30(44)27(26)42(39-28)23-6
    -3-5-20(16-23)29-36-31(45
    )38-37-29)22-10-8-19(9-11
    -22)25-7-2-1-4-21(25)17-4
    0-14-12-24(43)18-40/h1-11
    ,16,24,43H,12-15,17-18H2,
    (H2,36,37,38,45)/t24-/m1/
    s1;
    YBWAYLVOTDFQQI-XMMPIXPASA-N    		 c1ccc(c(c1)C[N@@]2CC[C@H](C2)O)c3ccc(cc3
    )N4CCc5c(n(nc5C(F)(F)F)c6cccc(c6)C7=NNC(
    =O)N7)C4=O; O[C@@H]1CCN(C1)Cc2ccccc2c3cc
    c(cc3)N4CCc5c(nn(c6cccc(c6)C7=NNC(=O)N7)
    c5C4=O)C(F)(F)F; O[CH]1CCN(C1)Cc2ccccc2c
    3ccc(cc3)N4CCc5c(nn(c6cccc(c6)C7=NNC(=O)
    N7)c5C4=O)C(F)(F)F; c1ccc(c(c1)CN2CCC(C2
    )O)c3ccc(cc3)N4CCc5c(n(nc5C(F)(F)F)c6ccc
    c(c6)C7=NNC(=O)N7)C4=O; O=C1NC(=NN1)c2cc
    (ccc2)n7nc(c6c7C(=O)N(c5ccc(c3ccccc3CN4C
    CC(O)C4)cc5)CC6)C(F)(F)F    		 (R)-6-(2'-((3-hydroxypyrrolidin-1-yl)methyl)biphenyl-4-yl)-1-(3-(5-oxo-4,5-dihydro-1h-1,2,4-triazol-3-yl)phenyl)-3-(trifluoromethyl)-5,6-dihydro-1h-pyrazolo[3,4-c]pyridin-7(4h)-one;
    6-(2'-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}biphenyl-4-yl)-1-[3-(5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl)phenyl]-3-(trifluoromethyl)-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-c]pyridin-7-one
    19850
    FFH    		 2 C29 H45 N5 O10 S InChI=1S/C29H45N5O10S/c30
    -23-43-22-21-42-20-19-41-
    18-17-40-16-15-39-14-11-2
    8(35)32-12-1-2-13-44-26-7
    -3-24(4-8-26)33-29(36)34-
    25-5-9-27(10-6-25)45(31,3
    7)38/h3-10H,1-2,11-23,30H
    2,(H,32,35)(H2,31,37,38)(
    H2,33,34,36);
    UDWQBPJNUHSQMR-UHFFFAOYSA-N    		 c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)OCC
    CCNC(=O)CCOCCOCCOCCOCCOCN; NCOCCOCCOCCOC
    COCCC(=O)NCCCCOc1ccc(NC(=O)Nc2ccc(cc2)[S
    ](N)(=O)=O)cc1    		 3-[2-[2-[2-[2-(aminomethyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-~{N}-[4-[4-[(4-sulfamoylphenyl)carbamoylamino]phenoxy]butyl]propanamide
    19851
    FFI    		 4 C43 H78 N7 O17 P3 S InChI=1S/C43H78N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-18-19-20-21-
    22-23-34(52)71-27-26-45-3
    3(51)24-25-46-41(55)38(54
    )43(2,3)29-64-70(61,62)67
    -69(59,60)63-28-32-37(66-
    68(56,57)58)36(53)42(65-3
    2)50-31-49-35-39(44)47-30
    -48-40(35)50/h30-32,36-38
    ,42,53-54H,4-29H2,1-3H3,(
    H,45,51)(H,46,55)(H,59,60
    )(H,61,62)(H2,44,47,48)(H
    2,56,57,58)/t32-,36-,37-,
    38+,42-/m1/s1;
    NDDZLVOCGALPLR-GNSUAQHMSA-N    		 CCCCCCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(
    =O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C
    (O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCC
    CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C
    @H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[C
    @H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)n
    2cnc3c(N)ncnc23; CCCCCCCCCCCCCCCCCCCCCC(
    =O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O
    )(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H]
    (O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCC
    CCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[C
    H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH
    ]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c
    (N)ncnc23    		 S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] docosanethioate;
    Behenoyl-CoA;
    Docosanoyl-CoA
    19852
    FFJ    		 1 C10 H16 F2 N3 O12 P3 InChI=1S/C10H16F2N3O12P3/
    c11-10(12,28(18,19)20)29(
    21,22)27-30(23,24)25-4-6-
    5(16)3-8(26-6)15-2-1-7(13
    )14-9(15)17/h1-2,5-6,8,16
    H,3-4H2,(H,21,22)(H,23,24
    )(H2,13,14,17)(H2,18,19,2
    0)/t5-,6+,8+/m0/s1;
    FBLKJJQPZBDPCI-SHYZEUOFSA-N    		 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O
    )(C(F)(F)P(=O)(O)O)O)O; C=1(N)C=CN(C(N=1
    )=O)C2OC(C(C2)O)COP(=O)(O)OP(O)(C(F)(P(=
    O)(O)O)F)=O; C1[C@@H]([C@H](O[C@H]1N2C=C
    C(=NC2=O)N)COP(=O)(O)OP(=O)(C(F)(F)P(=O)
    (O)O)O)O; NC1=NC(=O)N(C=C1)[C@H]2C[C@H](
    O)[C@@H](CO[P](O)(=O)O[P](O)(=O)C(F)(F)[
    P](O)(O)=O)O2; NC1=NC(=O)N(C=C1)[CH]2C[C
    H](O)[CH](CO[P](O)(=O)O[P](O)(=O)C(F)(F)
    [P](O)(O)=O)O2    		 2'-deoxy-5'-O-[(R)-{[(R)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
    19853
    FFK    		 1 C28 H49 N O12 P2 InChI=1S/C28H49NO12P2/c1-
    19(2)10-7-11-20(3)12-8-13
    -21(4)14-9-15-22(5)16-17-
    38-42(34,35)41-43(36,37)4
    0-28-25(29-23(6)31)27(33)
    26(32)24(18-30)39-28/h10,
    12,14,16,24-28,30,32-33H,
    7-9,11,13,15,17-18H2,1-6H
    3,(H,29,31)(H,34,35)(H,36
    ,37)/b20-12-,21-14-,22-16
    -/t24-,25-,26-,27-,28-/m1
    /s1;
    MCKZOQNLWLVDRX-ADLZVGHSSA-N    		 CC(C)=CCCC(\C)=C/CC\C(C)=C/CCC(\C)=C/CO[
    P](O)(=O)O[P](O)(=O)O[C@H]1O[C@H](CO)[C@
    @H](O)[C@H](O)[C@H]1NC(C)=O; CC(=CCC/C(=
    C\CC/C(=C\CC/C(=C\COP(=O)(O)OP(=O)(O)O[C
    @@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O
    )NC(=O)C)/C)/C)/C)C; CC(C)=CCCC(C)=CCCC(
    C)=CCCC(C)=CCO[P](O)(=O)O[P](O)(=O)O[CH]
    1O[CH](CO)[CH](O)[CH](O)[CH]1NC(C)=O; CC
    (=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)
    OC1C(C(C(C(O1)CO)O)O)NC(=O)C)C)C)C)C
    19854
    FFL    		 0 C6 H11 F2 N O2 InChI=1S/C6H11F2NO2/c7-2-
    4(3-8)1-5(9)6(10)11/h4-5H
    ,1-3,9H2,(H,10,11)/t5-/m0
    /s1;
    UFUPPGKUXMRROI-YFKPBYRVSA-N    		 C([C@@H](C(=O)O)N)C(CF)CF; N[C@@H](CC(CF
    )CF)C(O)=O; N[CH](CC(CF)CF)C(O)=O; C(C(C
    F)CF)C(C(=O)O)N    		 5,5'-difluoroleucines;
    (2S)-2-azanyl-5-fluoranyl-4-(fluoranylmethyl)pentanoic acid
    19855
    FFM
    ZINC000058633186    		 0 C6 H14 N O6 P S InChI=1S/C6H14NO6PS/c1-3(
    6(10)14(11,12)13)15-2-4(7
    )5(8)9/h3-4,6,10H,2,7H2,1
    H3,(H,8,9)(H2,11,12,13)/t
    3-,4+,6-/m1/s1;
    VNLJGMRDCGQBGN-ALEPSDHESA-N    		 C[C@H]([C@H](O)P(=O)(O)O)SC[C@@H](C(=O)O
    )N; C[CH](SC[CH](N)C(O)=O)[CH](O)[P](O)(
    O)=O; CC(C(O)P(=O)(O)O)SCC(C(=O)O)N; C[C
    @@H](SC[C@H](N)C(O)=O)[C@H](O)[P](O)(O)=
    O    		 S-[(1R,2R)-2-hydroxy-1-methyl-2-phosphonoethyl]-L-cysteine
    19856
    FFN
    ZINC000020345596    		 6 C13 H9 F N2 O S InChI=1S/C13H9FN2OS/c1-7-
    15-12(17)11-10(6-18-13(11
    )16-7)8-2-4-9(14)5-3-8/h2
    -6H,1H3,(H,15,16,17);
    PEYKEBUFADUZJK-UHFFFAOYSA-N    		 CC1=Nc2scc(c3ccc(F)cc3)c2C(=O)N1; CC1=Nc
    2c(c(cs2)c3ccc(cc3)F)C(=O)N1    		 5-(4-fluorophenyl)-2-methyl-3~{H}-thieno[2,3-d]pyrimidin-4-one
    19857
    FFO
    CHEMBL1908841
    DB11596
    ZINC000009212427    		 86 C20 H23 N7 O7 InChI=1S/C20H23N7O7/c21-2
    0-25-16-15(18(32)26-20)27
    (9-28)12(8-23-16)7-22-11-
    3-1-10(2-4-11)17(31)24-13
    (19(33)34)5-6-14(29)30/h1
    -4,9,12-13,22H,5-8H2,(H,2
    4,31)(H,29,30)(H,33,34)(H
    4,21,23,25,26,32)/t12-,13
    -/m0/s1;
    VVIAGPKUTFNRDU-STQMWFEESA-N    		 NC1=NC2=C(N(C=O)[CH](CNc3ccc(cc3)C(=O)N[
    CH](CCC(O)=O)C(O)=O)CN2)C(=O)N1; c1cc(cc
    c1C(=O)NC(CCC(=O)O)C(=O)O)NCC2CNC3=C(N2C
    =O)C(=O)NC(=N3)N; O=C(O)C(NC(=O)c1ccc(cc
    1)NCC2N(C=O)C=3C(=O)NC(=NC=3NC2)N)CCC(=O
    )O; NC1=NC2=C(N(C=O)[C@@H](CNc3ccc(cc3)C
    (=O)N[C@@H](CCC(O)=O)C(O)=O)CN2)C(=O)N1    		 N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid;
    [6S]-5-FORMYL-TETRAHYDROFOLATE;
    6S-FOLINIC ACID
    19858
    FFP
    CHEMBL1232721
    ZINC000000388530    		 3 C6 H4 F2 O InChI=1S/C6H4F2O/c7-4-2-1
    -3-5(8)6(4)9/h1-3,9H;
    CKKOVFGIBXCEIJ-UHFFFAOYSA-N    		 Fc1cccc(F)c1O; c1cc(c(c(c1)F)O)F; Oc1c(F
    )cccc1F    		 2,6-DIFLUOROPHENOL
    19859
    FFQ    		 18 C3 H9 O4 P InChI=1S/C3H9O4P/c1-2-3(4
    )8(5,6)7/h3-4H,2H2,1H3,(H
    2,5,6,7)/t3-/m1/s1;
    MVIJUJBSAAUHEM-GSVOUGTGSA-N    		 CCC(O)P(=O)(O)O; O=P(O)(O)C(O)CC; CC[C@H
    ](O)P(=O)(O)O; CC[CH](O)[P](O)(O)=O; CC[
    C@H](O)[P](O)(O)=O    		 [(1R)-1-hydroxypropyl]phosphonic acid;
    Fosfomycin, bound form
    19860
    FFR    		 1 C30 H27 F N6 O4 InChI=1S/C30H27FN6O4/c31-
    23-14-19(15-32)4-5-21(23)
    18-41-28-3-1-2-24(34-28)2
    0-8-11-36(12-9-20)17-27-3
    3-25-6-7-26(30(38)39)35-2
    9(25)37(27)16-22-10-13-40
    -22/h1-8,14,22H,9-13,16-1
    8H2,(H,38,39)/t22-/m0/s1;
    QJTZURDDCIYTGM-QFIPXVFZSA-N    		 c1cc(nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)C
    c4nc5ccc(nc5n4C[C@@H]6CCO6)C(=O)O; c1cc(
    nc(c1)OCc2ccc(cc2F)C#N)C3=CCN(CC3)Cc4nc5
    ccc(nc5n4CC6CCO6)C(=O)O; OC(=O)c1ccc2nc(
    CN3CCC(=CC3)c4cccc(OCc5ccc(cc5F)C#N)n4)n
    (C[C@@H]6CCO6)c2n1; OC(=O)c1ccc2nc(CN3CC
    C(=CC3)c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[CH
    ]6CCO6)c2n1    		 2-[[4-[6-[(4-cyano-2-fluoranyl-phenyl)methoxy]pyridin-2-yl]-3,6-dihydro-2~{H}-pyridin-1-yl]methyl]-3-[[(2~{S})-oxetan-2-yl]methyl]imidazo[4,5-b]pyridine-5-carboxylic acid
    19861
    FFS
    CHEMBL1198227
    ZINC000001105529    		 1 C19 H15 Cl N4 O InChI=1S/C19H15ClN4O/c20-
    13-5-3-6-14(11-13)22-19-2
    3-17-9-2-1-8-16(17)18(24-
    19)21-12-15-7-4-10-25-15/
    h1-11H,12H2,(H2,21,22,23,
    24);
    KLRNKMZSARWWTH-UHFFFAOYSA-N    		 Clc1cccc(Nc2nc(NCc3occc3)c4ccccc4n2)c1;
    n2c(NCc1ccco1)c4ccccc4nc2Nc3cccc(c3)Cl;
    c1ccc2c(c1)c(nc(n2)Nc3cccc(c3)Cl)NCc4ccc
    o4    		 N~2~-(3-chlorophenyl)-N~4~-[(furan-2-yl)methyl]quinazoline-2,4-diamine
    19862
    FFT    		 2 C15 H27 O4 P InChI=1S/C15H27O4P/c1-13(
    2)7-5-8-14(3)9-6-10-15(4)
    11-12-19-20(16,17)18/h7,9
    ,11H,5-6,8,10,12H2,1-4H3,
    (H2,16,17,18)/b14-9-,15-1
    1-;
    ALEWCKXBHSDCCT-FBXUGWQNSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O; CC
    (=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C; CC(=CC
    C/C(=C\CC/C(=C\COP(=O)(O)O)/C)/C)C; O=P(
    OC\C=C(/CC/C=C(/C)CC\C=C(/C)C)C)(O)O; CC
    (C)=CCCC(\C)=C/CCC(\C)=C/CO[P](O)(O)=O    		 (2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate;
    farnesyl monophosphate
    19863
    FFU
    CHEMBL3086112
    ZINC000103285435    		 1 C17 H20 F2 N2 O InChI=1S/C17H20F2N2O/c1-1
    7(2)5-3-11(4-6-17)20-16(2
    2)15-9-12-13(19)7-10(18)8
    -14(12)21-15/h7-9,11,21H,
    3-6H2,1-2H3,(H,20,22);
    UATYSFRIVIHVKL-UHFFFAOYSA-N    		 CC1(CCC(CC1)NC(=O)c2cc3c([nH]2)cc(cc3F)F
    )C; CC1(C)CCC(CC1)NC(=O)c2[nH]c3cc(F)cc(
    F)c3c2    		 N-(4,4-dimethylcyclohexyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxamide
    19864
    FFV
    CHEMBL4245081    		 1 C19 H18 Cl F N4 InChI=1S/C19H18ClFN4/c1-1
    1(12-6-7-12)22-18-14-4-2-
    3-5-17(14)24-19(25-18)23-
    13-8-9-16(21)15(20)10-13/
    h2-5,8-12H,6-7H2,1H3,(H2,
    22,23,24,25)/t11-/m1/s1;
    LSMKBOZJAWCJNL-LLVKDONJSA-N    		 C[C@H](C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc(c(c
    4)Cl)F; CC(C1CC1)Nc2c3ccccc3nc(n2)Nc4ccc
    (c(c4)Cl)F; C[CH](Nc1nc(Nc2ccc(F)c(Cl)c2
    )nc3ccccc13)C4CC4; C[C@@H](Nc1nc(Nc2ccc(
    F)c(Cl)c2)nc3ccccc13)C4CC4; n1c(c3c(nc1N
    c2ccc(c(c2)Cl)F)cccc3)NC(C)C4CC4    		 N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]quinazoline-2,4-diamine
    19865
    FFW
    CHEMBL4434843    		 2 C20 H16 Cl N3 O4 InChI=1S/C20H16ClN3O4/c1-
    11-15(10-17-19(25)23-28-2
    2-17)16-9-14(27-2)7-8-18(
    16)24(11)20(26)12-3-5-13(
    21)6-4-12/h3-9H,10H2,1-2H
    3,(H,23,25);
    VJZLOJXUWVYZRW-UHFFFAOYSA-N    		 COc1ccc2n(c(C)c(CC3=NONC3=O)c2c1)C(=O)c4
    ccc(Cl)cc4; Cc1c(c2cc(ccc2n1C(=O)c3ccc(c
    c3)Cl)OC)CC4=NONC4=O    		 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one
    19866
    FFX    		 1 C5 H8 F2 O4 InChI=1S/C5H8F2O4/c6-4-2(
    9)1(8)3(10)5(7)11-4/h1-5,
    8-10H/t1-,2-,3+,4-,5+;
    QCYATGUEQPTSRF-IYJRPRHRSA-N    		 C1(C(C(OC(C1O)F)F)O)O; O[CH]1[CH](O)[CH]
    (F)O[CH](F)[CH]1O; C1([C@H]([C@@H](O[C@@
    H]([C@H]1O)F)F)O)O; O[C@@H]1[C@@H](O)[C@
    H](F)O[C@H](F)[C@H]1O; FC1OC(F)C(O)C(O)C
    1O    		 (2R,3S,5R,6S)-2,6-DIFLUOROOXANE-3,4,5-TRIOL
    19867
    FFY
    CHEMBL4243567    		 1 C24 H25 Cl F N5 InChI=1S/C24H25ClFN5/c1-1
    4(15-5-6-15)28-23-19-4-2-
    3-18(16-9-11-27-12-10-16)
    22(19)30-24(31-23)29-17-7
    -8-21(26)20(25)13-17/h2-4
    ,7-9,13-15,27H,5-6,10-12H
    2,1H3,(H2,28,29,30,31)/t1
    4-/m1/s1;
    YQFXBUIYNRLMAO-CQSZACIVSA-N    		 n1c(c3c(nc1Nc2ccc(c(c2)Cl)F)c(ccc3)C4=CC
    NCC4)NC(C5CC5)C; CC(C1CC1)Nc2c3cccc(c3nc
    (n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5; C[C@@H](
    Nc1nc(Nc2ccc(F)c(Cl)c2)nc3c(cccc13)C4=CC
    NCC4)C5CC5; C[C@H](C1CC1)Nc2c3cccc(c3nc(
    n2)Nc4ccc(c(c4)Cl)F)C5=CCNCC5; C[CH](Nc1
    nc(Nc2ccc(F)c(Cl)c2)nc3c(cccc13)C4=CCNCC
    4)C5CC5    		 N~2~-(3-chloro-4-fluorophenyl)-N~4~-[(1R)-1-cyclopropylethyl]-8-(1,2,3,6-tetrahydropyridin-4-yl)quinazoline-2,4-diamine
    19868
    FFZ
    CHEMBL4436770    		 5 C28 H29 N3 O3 InChI=1S/C28H29N3O3/c1-19
    (2)31-28(33)24-12-8-7-11-
    23(24)27(30-31)22-13-15-2
    5(34-3)21(17-22)14-16-26(
    32)29-18-20-9-5-4-6-10-20
    /h4-10,13,15,17,19,23-24H
    ,11-12,18H2,1-3H3,(H,29,3
    2)/t23-,24+/m0/s1;
    CNKULZYKNGMIIR-BJKOFHAPSA-N    		 COc1ccc(cc1C#CC(=O)NCc2ccccc2)C3=NN(C(C)
    C)C(=O)[C@@H]4CC=CC[C@H]34; CC(C)N1C(=O)
    [C@@H]2CC=CC[C@@H]2C(=N1)c3ccc(c(c3)C#CC
    (=O)NCc4ccccc4)OC; CC(C)N1C(=O)C2CC=CCC2
    C(=N1)c3ccc(c(c3)C#CC(=O)NCc4ccccc4)OC;
    COc3ccc(C=1C2C(C(N(C(C)C)N=1)=O)CC=CC2)c
    c3C#CC(=O)NCc4ccccc4; COc1ccc(cc1C#CC(=O
    )NCc2ccccc2)C3=NN(C(C)C)C(=O)[CH]4CC=CC[
    CH]34    		 3-[5-[(4aR,8aS)-4-OXIDANYLIDENE-3-PROPAN-2-YL-4a,5,8,8a-TETRAHYDROPHTHALAZIN-1-YL]-2-METHOXY-PHENYL]-N-(PHENYLMETHYL)PROP-2-YNAMIDE
    19869
    FG0
    CHEMBL2098175
    ZINC000084687678    		 1 C20 H23 N O3 S InChI=1S/C20H23NO3S/c1-2-
    17-18(23-11-10-22-17)13-1
    5(1)14-21-7-5-20(6-8-21)1
    6-4-12-25-19(16)3-9-24-20
    /h1-2,4,12-13H,3,5-11,14H
    2;
    NCRPMBWORFWNGT-UHFFFAOYSA-N    		 c1cc2c(cc1CN3CCC4(CC3)c5ccsc5CCO4)OCCO2;
    C1COc2cc(CN3CCC4(CC3)OCCc5sccc45)ccc2O1    		 1'-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]
    19870
    FG1
    DB02784
    ZINC000012502600    		 1 C18 H23 Br N4 O7 InChI=1S/C18H23BrN4O7/c19
    -9-15(26)20-8-6-14(25)23-
    13(10-24)16(27)21-7-5-11-
    1-3-12(4-2-11)22-17(28)18
    (29)30/h1-4,13,24H,5-10H2
    ,(H,20,26)(H,21,27)(H,22,
    28)(H,23,25)(H,29,30)/t13
    -/m0/s1;
    IYAWTDCWUJJPHZ-ZDUSSCGKSA-N    		 c1cc(ccc1CCNC(=O)C(CO)NC(=O)CCNC(=O)CBr)
    NC(=O)C(=O)O; O=C(Nc1ccc(cc1)CCNC(=O)C(N
    C(=O)CCNC(=O)CBr)CO)C(=O)O; OC[C@H](NC(=
    O)CCNC(=O)CBr)C(=O)NCCc1ccc(NC(=O)C(O)=O
    )cc1; c1cc(ccc1CCNC(=O)[C@H](CO)NC(=O)CC
    NC(=O)CBr)NC(=O)C(=O)O; OC[CH](NC(=O)CCN
    C(=O)CBr)C(=O)NCCc1ccc(NC(=O)C(O)=O)cc1    		 N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-ETHYL)-PHENYL]-OXALAMIC ACID
    19871
    FG2
    CHEMBL1232723
    ZINC000058631901    		 3 C16 H15 N3 O4 S InChI=1S/C16H15N3O4S/c1-1
    0-3-6-15(17-9-10)24(21,22
    )19-16(20)14-8-11-7-12(23
    -2)4-5-13(11)18-14/h3-9,1
    8H,1-2H3,(H,19,20);
    ZKUFSBNJBIOKLO-UHFFFAOYSA-N    		 Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3[n
    H]2)OC; O=S(=O)(c1ncc(cc1)C)NC(=O)c3cc2c
    c(OC)ccc2n3; COc1ccc2[nH]c(cc2c1)C(=O)N[
    S](=O)(=O)c3ccc(C)cn3    		 5-methoxy-N-[(5-methylpyridin-2-yl)sulfonyl]-1H-indole-2-carboxamide
    19872
    FG3
    CHEMBL1232724
    ZINC000058638494    		 3 C18 H17 N3 O6 S InChI=1S/C18H17N3O6S/c1-1
    1-3-6-16(19-9-11)28(25,26
    )20-18(24)15-8-12-7-13(27
    -2)4-5-14(12)21(15)10-17(
    22)23/h3-9H,10H2,1-2H3,(H
    ,20,24)(H,22,23);
    MOZJRLFDFCKFFT-UHFFFAOYSA-N    		 Cc1ccc(nc1)S(=O)(=O)NC(=O)c2cc3cc(ccc3n2
    CC(=O)O)OC; COc1ccc2n(CC(O)=O)c(cc2c1)C(
    =O)N[S](=O)(=O)c3ccc(C)cn3; O=S(=O)(c1nc
    c(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O    		 (5-methoxy-2-{[(5-methylpyridin-2-yl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid
    19873
    FG4
    ZINC000058633681    		 2 C21 H17 N O6 InChI=1S/C21H17NO6/c1-26-
    15-6-7-17-14(9-15)10-18(2
    2(17)11-20(23)24)21(25)27
    -12-16-8-13-4-2-3-5-19(13
    )28-16/h2-10H,11-12H2,1H3
    ,(H,23,24);
    CKGFVKXFHXZPEW-UHFFFAOYSA-N    		 COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)OCc3cc4cc
    ccc4o3; COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)O
    Cc3oc4ccccc4c3; O=C(O)Cn1c4ccc(OC)cc4cc1
    C(=O)OCc3oc2ccccc2c3    		 {2-[(1-benzofuran-2-ylmethoxy)carbonyl]-5-methoxy-1H-indol-1-yl}acetic acid
    19874
    FG5
    ZINC000058633685    		 1 C20 H18 N2 O6 S InChI=1S/C20H18N2O6S/c1-2
    7-16-6-7-17-14(9-16)8-15(
    22(17)12-19(23)24)11-21-2
    9(25,26)20-10-13-4-2-3-5-
    18(13)28-20/h2-10,21H,11-
    12H2,1H3,(H,23,24);
    WZHKFPDZEVEAJG-UHFFFAOYSA-N    		 COc1ccc2n(CC(O)=O)c(CN[S](=O)(=O)c3oc4cc
    ccc4c3)cc2c1; COc1ccc2c(c1)cc(n2CC(=O)O)
    CNS(=O)(=O)c3cc4ccccc4o3; O=C(O)Cn1c4ccc
    (OC)cc4cc1CNS(=O)(=O)c3oc2ccccc2c3    		 (2-{[(1-benzofuran-2-ylsulfonyl)amino]methyl}-5-methoxy-1H-indol-1-yl)acetic acid
    19875
    FG6
    CHEMBL1232727
    ZINC000058633687    		 3 C20 H16 N2 O7 S InChI=1S/C20H16N2O7S/c1-2
    8-14-6-7-15-13(8-14)9-16(
    22(15)11-18(23)24)20(25)2
    1-30(26,27)19-10-12-4-2-3
    -5-17(12)29-19/h2-10H,11H
    2,1H3,(H,21,25)(H,23,24);
    XOSVMFKSAWOSMH-UHFFFAOYSA-N    		 COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O
    )c3cc4ccccc4o3; O=C(O)Cn1c4ccc(OC)cc4cc1
    C(=O)NS(=O)(=O)c3oc2ccccc2c3; COc1ccc2n(
    CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3oc4cc
    ccc4c3    		 {2-[(1-benzofuran-2-ylsulfonyl)carbamoyl]-5-methoxy-1H-indol-1-yl}acetic acid
    19876
    FG7
    CHEMBL1702228
    DB11552
    ZINC000000402652    		 4 C9 H11 N O2 InChI=1S/C9H11NO2/c1-2-12
    -9(11)7-4-3-5-8(10)6-7/h3
    -6H,2,10H2,1H3;
    ZMCBYSBVJIMENC-UHFFFAOYSA-N    		 CCOC(=O)c1cccc(c1)N; CCOC(=O)c1cccc(N)c1
    ; O=C(OCC)c1cc(N)ccc1    		 ethyl 3-aminobenzoate
    19877
    FG8
    CHEMBL4872913    		 4 C15 H12 Cl N O2 S InChI=1S/C15H12ClNO2S/c16
    -12-6-8-13(9-7-12)20-14-4
    -2-1-3-11(14)5-10-15(18)1
    7-19/h1-10,19H,(H,17,18)/
    b10-5+;
    LOPNSVKBMZZEHH-BJMVGYQFSA-N    		 c1ccc(c(c1)C=CC(=O)NO)Sc2ccc(cc2)Cl; c1c
    cc(c(c1)/C=C/C(=O)NO)Sc2ccc(cc2)Cl; ONC(
    =O)\C=C\c1ccccc1Sc2ccc(Cl)cc2; ONC(=O)C=
    Cc1ccccc1Sc2ccc(Cl)cc2    		 (~{E})-3-[2-(4-chlorophenyl)sulfanylphenyl]-~{N}-oxidanyl-prop-2-enamide
    19878
    FG9
    CHEMBL4748345    		 1 C18 H22 N6 O InChI=1S/C18H22N6O/c19-16
    -15-2-4-20-11-13(15)10-14
    -12-22-18(23-17(14)16)21-
    3-1-5-24-6-8-25-9-7-24/h2
    ,4,10-12H,1,3,5-9,19H2,(H
    ,21,22,23);
    LRBZZLHCFITOFC-UHFFFAOYSA-N    		 c1cncc2c1c(c3c(c2)cnc(n3)NCCCN4CCOCC4)N;
    Nc1c2ccncc2cc3cnc(NCCCN4CCOCC4)nc13    		 ~{N}2-(3-morpholin-4-ylpropyl)pyrido[3,4-g]quinazoline-2,10-diamine
    19879
    FGA
    CHEMBL76232
    DB02517
    ZINC000000895124    		 2 C5 H9 N O4 InChI=1S/C5H9NO4/c6-3(5(9
    )10)1-2-4(7)8/h3H,1-2,6H2
    ,(H,7,8)(H,9,10)/t3-/m1/s
    1;
    WHUUTDBJXJRKMK-GSVOUGTGSA-N    		 C(CC(=O)O)[C@H](C(=O)O)N; O=C(O)C(N)CCC(
    =O)O; C(CC(=O)O)C(C(=O)O)N; N[C@H](CCC(O
    )=O)C(O)=O; N[CH](CCC(O)=O)C(O)=O    		 GAMMA-D-GLUTAMIC ACID;
    D-GLUTAMIC ACID
    19880
    FGD
    ZINC000028258717    		 14 C21 H21 N5 O6 InChI=1S/C21H21N5O6/c22-2
    1-25-15-6-1-11(9-14(15)19
    (30)26-21)10-23-13-4-2-12
    (3-5-13)18(29)24-16(20(31
    )32)7-8-17(27)28/h1-6,9,1
    6,23H,7-8,10H2,(H,24,29)(
    H,27,28)(H,31,32)(H3,22,2
    5,26,30)/t16-/m1/s1;
    UQFCLENKCDVITL-MRXNPFEDSA-N    		 c1c(ccc(c1)NCc2cc3c(cc2)NC(N)=NC3=O)C(NC
    (C(=O)O)CCC(=O)O)=O; c1cc(ccc1C(=O)N[C@H
    ](CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)N=C(
    N3)N; NC1=NC(=O)c2cc(CNc3ccc(cc3)C(=O)N[
    C@H](CCC(O)=O)C(O)=O)ccc2N1; c1cc(ccc1C(
    =O)NC(CCC(=O)O)C(=O)O)NCc2ccc3c(c2)C(=O)
    N=C(N3)N; NC1=NC(=O)c2cc(CNc3ccc(cc3)C(=
    O)N[CH](CCC(O)=O)C(O)=O)ccc2N1    		 N-(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl]amino}benzene-1-carbonyl)-D-glutamic acid
    19881
    FGE    		 1 C14 H12 N4 O4 S2 InChI=1S/C14H12N4O4S2/c1-
    6-12(23-14(17-6)18-7(2)19
    )8-3-9-5-16-13(20)11(9)10
    (4-8)24(15,21)22/h3-5H,1-
    2H3,(H2,15,21,22)(H,17,18
    ,19);
    LTKQWKJDTSYBED-UHFFFAOYSA-N    		 Cc1c(sc(n1)NC(=O)C)c2cc3c(c(c2)S(=O)(=O)
    N)C(=O)N=C3; CC(=O)Nc1sc(c(C)n1)c2cc3C=N
    C(=O)c3c(c2)[S](N)(=O)=O    		 ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide
    19882
    FGF
    CHEMBL3908979
    DB16845
    ZINC000644165879    		 3 C25 H30 N8 O4 InChI=1S/C25H30N8O4/c1-31
    -7-8-32(23(35)15-31)14-18
    -10-17-4-3-6-33(24(17)29-
    21(18)16-34)25(36)30-22-1
    1-20(27-5-9-37-2)19(12-26
    )13-28-22/h10-11,13,16H,3
    -9,14-15H2,1-2H3,(H2,27,2
    8,30,36);
    BHKDKKZMPODMIQ-UHFFFAOYSA-N    		 COCCNc1cc(NC(=O)N2CCCc3cc(CN4CCN(C)CC4=O
    )c(C=O)nc23)ncc1C#N; CN1CCN(C(=O)C1)Cc2c
    c3c(nc2C=O)N(CCC3)C(=O)Nc4cc(c(cn4)C#N)N
    CCOC    		 N-[5-cyano-4-(2-methoxyethylamino)pyridin-2-yl]-7-methanoyl-6-[(4-methyl-2-oxidanylidene-piperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;
    Roblitinib;
    FGF-401
    19883
    FGG
    ZINC000058632132    		 3 C20 H35 F O7 P2 InChI=1S/C20H35FO7P2/c1-1
    6(2)9-6-10-17(3)11-7-12-1
    8(4)13-8-14-19(5)20(21)15
    -27-30(25,26)28-29(22,23)
    24/h9,11,13H,6-8,10,12,14
    -15H2,1-5H3,(H,25,26)(H2,
    22,23,24)/b17-11+,18-13+,
    20-19-;
    NZHGLLPGXYKTDW-HAQLZSGTSA-N    		 CC(=CCC/C(=C/CC/C(=C/CC/C(=C(/CO[P@@](=O
    )(O)OP(=O)(O)O)\F)/C)/C)/C)C; CC(C)=CCC/
    C(C)=C/CC/C(C)=C/CC\C(C)=C(F)\CO[P](O)(=
    O)O[P](O)(O)=O; O=P(O)(O)OP(=O)(OCC(\F)=
    C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)O;
    CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=C(F)CO[P](
    O)(=O)O[P](O)(O)=O; CC(=CCCC(=CCCC(=CCCC
    (=C(COP(=O)(O)OP(=O)(O)O)F)C)C)C)C    		 (2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate;
    2-fluoro-geranylgeranyl diphosphate
    19884
    FGH
    CHEMBL3235350
    ZINC000098208883    		 1 C27 H35 N3 O2 InChI=1S/C27H35N3O2/c1-16
    (2)10-18-12-19(11-17-6-8-
    28-26(32)24(17)18)30-21-1
    3-27(3,4)14-23(31)25(21)2
    0-7-9-29(5)15-22(20)30/h1
    1-12,16H,6-10,13-15H2,1-5
    H3,(H,28,32);
    JEHITPSPEWPKHP-UHFFFAOYSA-N    		 O=C5NCCc4cc(n1c3c(c2c1CN(CC2)C)C(=O)CC(C
    3)(C)C)cc(c45)CC(C)C; CC(C)Cc1cc(cc2CCNC
    (=O)c12)n3c4CN(C)CCc4c5C(=O)CC(C)(C)Cc35
    ; CC(C)Cc1cc(cc2c1C(=O)NCC2)n3c4c(c5c3CN
    (CC5)C)C(=O)CC(C4)(C)C    		 2,7,7-trimethyl-9-[8-(2-methylpropyl)-1-oxo-1,2,3,4-tetrahydroisoquinolin-6-yl]-1,2,3,4,6,7,8,9-octahydro-5H-beta-carbolin-5-one
    19885
    FGJ
    ZINC000005820130    		 7 C15 H28 O5 InChI=1S/C15H28O5/c1-3-5-
    7-9-14(17)19-12-13(11-16)
    20-15(18)10-8-6-4-2/h13,1
    6H,3-12H2,1-2H3/t13-/m1/s
    1;
    DRUFTGMQJWWIOL-CYBMUJFWSA-N    		 C(CCCC)C(OCC(CO)OC(=O)CCCCC)=O; CCCCCC(=
    O)OC[CH](CO)OC(=O)CCCCC; CCCCCC(=O)OCC(C
    O)OC(=O)CCCCC; CCCCCC(=O)OC[C@@H](CO)OC(
    =O)CCCCC    		 (2R)-3-hydroxypropane-1,2-diyl dihexanoate
    19886
    FGL
    CHEMBL1232731
    DB02289
    ZINC000000895421    		 0 C3 H5 N O4 InChI=1S/C3H5NO4/c4-1(2(5
    )6)3(7)8/h1H,4H2,(H,5,6)(
    H,7,8);
    JINBYESILADKFW-UHFFFAOYSA-N    		 C(C(=O)O)(C(=O)O)N; NC(C(O)=O)C(O)=O; O=
    C(O)C(N)C(=O)O    		 2-AMINOPROPANEDIOIC ACID
    19887
    FGM
    ZINC000098208884    		 1 C19 H38 O3 InChI=1S/C19H38O3/c1-3-5-
    7-9-10-11-12-14-16-18(20)
    17(19(21)22)15-13-8-6-4-2
    /h17-18,20H,3-16H2,1-2H3,
    (H,21,22)/t17-,18-/m1/s1;
    OYDUHHOWTJLUGL-QZTJIDSGSA-N    		 CCCCCCCCCC[C@@H](O)[C@@H](CCCCCC)C(O)=O;
    CCCCCCCCCCC(C(CCCCCC)C(=O)O)O; CCCCCCCC
    CC[C@H]([C@@H](CCCCCC)C(=O)O)O; CCCCCCCC
    CC[CH](O)[CH](CCCCCC)C(O)=O; O=C(O)C(CCC
    CCC)C(O)CCCCCCCCCC    		 (2R,3R)-2-hexyl-3-hydroxytridecanoic acid
    19888
    FGN    		 4 C16 H13 Cl2 N O3 InChI=1S/C16H13Cl2NO3/c17
    -13-5-3-6-14(18)12(13)10-
    22-15-7-2-1-4-11(15)8-9-1
    6(20)19-21/h1-9,21H,10H2,
    (H,19,20)/b9-8+;
    YTQRIEFQVODUBZ-CMDGGOBGSA-N    		 c1ccc(c(c1)C=CC(=O)NO)OCc2c(cccc2Cl)Cl;
    ONC(=O)\C=C\c1ccccc1OCc2c(Cl)cccc2Cl; ON
    C(=O)C=Cc1ccccc1OCc2c(Cl)cccc2Cl; c1ccc(
    c(c1)/C=C/C(=O)NO)OCc2c(cccc2Cl)Cl    		 (~{E})-3-[2-[[2,6-bis(chloranyl)phenyl]methoxy]phenyl]-~{N}-oxidanyl-prop-2-enamide
    19889
    FGO    		 34 C22 H28 N7 O13 P InChI=1S/C22H28N7O13P/c23
    -20-26-16-13(17(33)27-20)
    24-7-29(16)18-9-4-22(35,3
    6)3-8(9)11(41-18)6-39-43(
    37,38)42-15-10(5-30)40-19
    (14(15)32)28-2-1-12(31)25
    -21(28)34/h1-2,7-11,14-15
    ,18-19,30,32,35-36H,3-6H2
    ,(H,37,38)(H,25,31,34)(H3
    ,23,26,27,33)/t8-,9+,10+,
    11+,14+,15+,18+,19+/m0/s1;
    UMWHQRFZYGKEGD-MIHJLMQYSA-N    		 c1nc2c(n1C3C4CC(CC4C(O3)COP(=O)(O)OC5C(O
    C(C5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)
    N; c1nc2c(n1[C@H]3[C@@H]4CC(C[C@@H]4[C@H
    ](O3)COP(=O)(O)O[C@@H]5[C@H](O[C@H]([C@@
    H]5O)N6C=CC(=O)NC6=O)CO)(O)O)N=C(NC2=O)N
    ; NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](
    O)(=O)O[CH]4[CH](O)[CH](O[CH]4CO)N5C=CC(
    =O)NC5=O)[CH]6CC(O)(O)C[CH]36; NC1=Nc2n(
    cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[
    C@H]4[C@@H](O)[C@@H](O[C@@H]4CO)N5C=CC(=
    O)NC5=O)[C@H]6CC(O)(O)C[C@@H]36    		 [(1S,3R,3aR,6aS)-3-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-5,5-bis(oxidanyl)-1,3,3a,4,6,6a-hexahydrocyclopenta[c]furan-1-yl]methyl [(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-2-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] hydrogen phosphate
    19890
    FGP
    DB03821
    ZINC000012503936    		 0 C3 H8 N O7 P InChI=1S/C3H8NO7P/c4-1(2(
    5)6)3(7)11-12(8,9)10/h1,3
    ,7H,4H2,(H,5,6)(H2,8,9,10
    )/t1-,3+/m1/s1;
    JVLKWZAWYDOHCD-GPKNORDASA-N    		 O=P(OC(O)C(N)C(=O)O)(O)O; C(C(O)OP(=O)(O
    )O)(C(=O)O)N; N[C@@H]([C@@H](O)O[P](O)(O
    )=O)C(O)=O; [C@H]([C@@H](O)OP(=O)(O)O)(C
    (=O)O)N; N[CH]([CH](O)O[P](O)(O)=O)C(O)=
    O    		 2-AMINO-3-HYDROXY-3-PHOSPHONOOXY-PROPIONIC ACID
    19891
    FGQ
    CHEMBL4177089    		 1 C16 H12 F N O3 S InChI=1S/C16H12FNO3S/c1-1
    0-4-6-11(7-5-10)22(20,21)
    14-9-13(17)16(19)15-12(14
    )3-2-8-18-15/h2-9,19H,1H3;
    VRULDRRQTAPONR-UHFFFAOYSA-N    		 Cc1ccc(cc1)[S](=O)(=O)c2cc(F)c(O)c3ncccc
    23; Cc1ccc(cc1)S(=O)(=O)c2cc(c(c3c2cccn3
    )O)F    		 7-fluoranyl-5-(4-methylphenyl)sulfonyl-quinolin-8-ol
    19892
    FGR    		 2 C8 H15 N2 O9 P InChI=1S/C8H15N2O9P/c11-3
    -9-1-5(12)10-8-7(14)6(13)
    4(19-8)2-18-20(15,16)17/h
    3-4,6-8,13-14H,1-2H2,(H,9
    ,11)(H,10,12)(H2,15,16,17
    )/t4-,6-,7-,8-/m1/s1;
    VDXLUNDMVKSKHO-XVFCMESISA-N    		 C([C@@H]1[C@H]([C@H]([C@@H](O1)NC(=O)CNC
    =O)O)O)OP(=O)(O)O; O=C(NC1OC(C(O)C1O)COP
    (=O)(O)O)CNC=O; O[CH]1[CH](O)[CH](NC(=O)
    CNC=O)O[CH]1CO[P](O)(O)=O; C(C1C(C(C(O1)
    NC(=O)CNC=O)O)O)OP(=O)(O)O; O[C@H]1[C@@H
    ](O)[C@H](NC(=O)CNC=O)O[C@@H]1CO[P](O)(O
    )=O    		 N-(N-FORMYLGLYCYL)-5-O-PHOSPHONO-BETA-D-RIBOFURANOSYLAMINE
    19893
    FGS
    ZINC000058638641    		 2 C8 H18 N O9 P InChI=1S/C8H18NO9P/c1-4(1
    1)9-5(2-10)7(13)8(14)6(12
    )3-18-19(15,16)17/h5-8,10
    ,12-14H,2-3H2,1H3,(H,9,11
    )(H2,15,16,17)/t5-,6-,7+,
    8+/m0/s1;
    WHHOIWRDVIBHSP-RULNZFCNSA-N    		 CC(=O)N[CH](CO)[CH](O)[CH](O)[CH](O)CO[P
    ](O)(O)=O; CC(=O)N[C@@H](CO)[C@@H](O)[C@
    H](O)[C@@H](O)CO[P](O)(O)=O; CC(=O)NC(CO
    )C(C(C(COP(=O)(O)O)O)O)O; CC(=O)N[C@@H](
    CO)[C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O;
    O=P(O)(O)OCC(O)C(O)C(O)C(NC(=O)C)CO    		 5-(ACETYLAMINO)-5-DEOXY-1-O-PHOSPHONO-L-IDITOL
    19894
    FGT
    CHEMBL63857
    DB04824
    ZINC000003831317    		 3 C20 H14 O4 InChI=1S/C20H14O4/c21-15-
    9-5-13(6-10-15)20(14-7-11
    -16(22)12-8-14)18-4-2-1-3
    -17(18)19(23)24-20/h1-12,
    21-22H;
    KJFMBFZCATUALV-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)OC2(c3ccc(cc3)O)c4ccc(cc
    4)O; Oc1ccc(cc1)C2(OC(=O)c3ccccc23)c4ccc
    (O)cc4    		 3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one;
    phenolphthalein
    19895
    FGU    		 1 C10 H20 N2 O2 S InChI=1S/C10H20N2O2S/c1-7
    (2)6-9(11)10(14)15-5-4-12
    -8(3)13/h7,9H,4-6,11H2,1-
    3H3,(H,12,13)/t9-/m0/s1;
    FGUKBCKKFXHYHQ-VIFPVBQESA-N    		 CC(C)C[CH](N)C(=O)SCCNC(C)=O; CC(C)C[C@@
    H](C(=O)SCCNC(=O)C)N; CC(C)C[C@H](N)C(=O
    )SCCNC(C)=O; CC(C)CC(C(=O)SCCNC(=O)C)N    		 S-(2-acetamidoethyl) (2S)-2-azanyl-4-methyl-pentanethioate
    19896
    FGV
    CHEMBL3349692
    ZINC000100590871    		 1 C6 H15 O15 P3 InChI=1S/C6H15O15P3/c7-1-
    4(19-22(10,11)12)2(8)6(21
    -24(16,17)18)3(9)5(1)20-2
    3(13,14)15/h1-9H,(H2,10,1
    1,12)(H2,13,14,15)(H2,16,
    17,18)/t1-,2-,3-,4-,5+,6-;
    RURWIJNHQMXJDV-GBKPYZKPSA-N    		 O[C@@H]1[C@H](O[P](O)(O)=O)[C@@H](O)[C@H
    ](O[P](O)(O)=O)[C@@H](O)[C@@H]1O[P](O)(O
    )=O; O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH]
    (O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O;
    C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)O)O
    P(=O)(O)O)O; C1(C(O)C(OP(O)(O)=O)C(O)C(C
    1O)OP(=O)(O)O)OP(O)(O)=O    		 (1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)];
    D-myo-inositol-1,3,5-trisphosphate
    19897
    FGW    		 0 C60 H76 N21 O10 InChI=1S/C60H75N21O10/c1-
    35(2)81-21-19-62-51(81)59
    (90)69-40-26-46(78(9)32-4
    0)57(88)67-38-24-44(76(7)
    30-38)55(86)65-36-22-42(7
    4(5)28-36)53(84)63-16-12-
    14-50(83)71-48-34-80(11)5
    2(72-48)60(91)70-41-27-47
    (79(10)33-41)58(89)68-39-
    25-45(77(8)31-39)56(87)66
    -37-23-43(75(6)29-37)54(8
    5)64-18-15-49(82)61-17-13
    -20-73(3)4/h19,21-35H,12-
    18,20H2,1-11H3,(H,61,82)(
    H,63,84)(H,64,85)(H,65,86
    )(H,66,87)(H,67,88)(H,68,
    89)(H,69,90)(H,70,91)(H,7
    1,83)/p+1;
    GJZDNWOYNBZDEA-UHFFFAOYSA-O    		 CC(C)n1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cc
    (n(c3)C)C(=O)Nc4cc(n(c4)C)C(=O)NCCCC(=O)
    Nc5cn(c(n5)C(=O)Nc6cc(n(c6)C)C(=O)Nc7cc(
    n(c7)C)C(=O)Nc8cc(n(c8)C)C(=O)NCCC(=O)NC
    CC[NH+](C)C)C; CC(C)n1ccnc1C(=O)Nc2cn(C)
    c(c2)C(=O)Nc3cn(C)c(c3)C(=O)Nc4cn(C)c(c4
    )C(=O)NCCCC(=O)Nc5cn(C)c(n5)C(=O)Nc6cn(C
    )c(c6)C(=O)Nc7cn(C)c(c7)C(=O)Nc8cn(C)c(c
    8)C(=O)NCCC(=O)NCCC[NH+](C)C    		 dimethyl-[3-[3-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[4-[[1-methyl-4-[[1-methyl-4-[[1-methyl-4-[(1-propan-2-ylimidazol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]butanoylamino]imidazol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]pyrrol-2-yl]carbonylamino]propanoylamino]propyl]azanium
    19898
    FGX    		 1 C28 H31 B N5 O9 P S InChI=1S/C28H31BN5O9PS/c1
    -15(35)12-45-19-6-4-17(5-
    7-19)23(36)18-3-2-16-8-9-
    29(20(16)10-18)42-24-21(1
    1-40-44(37,38)39)41-28(25
    (24)43-29)34-14-33-22-26(
    30)31-13-32-27(22)34/h2-7
    ,10,13-14,21,23-25,28,36-
    39H,8-9,11-12H2,1H3,(H2,3
    0,31,32)/t21-,23+,24-,25+
    ,28+,29+/m0/s1;
    YYNKFKBRIAWSCO-QTPLPVLTSA-N    		 CC(=O)CSc1ccc(cc1)[CH](O)c2ccc3CC[B-]4(O
    [CH]5[CH](CO[P+](O)(O)O)O[CH]([CH]5O4)n6
    cnc7c(N)ncnc67)c3c2; CC(=O)CSc1ccc(cc1)[
    C@@H](O)c2ccc3CC[B-]4(O[C@H]5[C@H](CO[P+
    ](O)(O)O)O[C@H]([C@@H]5O4)n6cnc7c(N)ncnc
    67)c3c2; [B-]12(CCc3c1cc(cc3)C(c4ccc(cc4
    )SCC(=O)C)O)OC5C(OC(C5O2)n6cnc7c6ncnc7N)
    CO[P+](O)(O)O; [B-]12(CCc3c1cc(cc3)[C@@H
    ](c4ccc(cc4)SCC(=O)C)O)O[C@H]5[C@@H](O[C
    @H]([C@@H]5O2)n6cnc7c6ncnc7N)CO[P+](O)(O
    )O    		 [(1~{R},5~{R},6~{S},8~{R})-8-(6-aminopurin-9-yl)-4'-[(~{R})-oxidanyl-[4-(2-oxidanylidenepropylsulfanyl)phenyl]methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,7'-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-triene]-6-yl]methoxy-tris(oxidanyl)phosphanium
    19899
    FGY
    CHEMBL4167623    		 6 C27 H35 N5 O6 InChI=1S/C27H35N5O6/c1-17
    (23(34)28-15-18-8-6-5-7-9
    -18)30-26(37)21(14-22(33)
    29-16-27(2,3)4)31-24(35)1
    9-10-12-20(13-11-19)25(36
    )32-38/h5-13,17,21,38H,14
    -16H2,1-4H3,(H,28,34)(H,2
    9,33)(H,30,37)(H,31,35)(H
    ,32,36)/t17-,21-/m0/s1;
    CMINWSPSBRREEO-UWJYYQICSA-N    		 C[C@@H](C(=O)NCc1ccccc1)NC(=O)[C@H](CC(=
    O)NCC(C)(C)C)NC(=O)c2ccc(cc2)C(=O)NO; C[
    CH](NC(=O)[CH](CC(=O)NCC(C)(C)C)NC(=O)c1
    ccc(cc1)C(=O)NO)C(=O)NCc2ccccc2; C(C(NC(
    C(CC(=O)NCC(C)(C)C)NC(c1ccc(C(=O)NO)cc1)
    =O)=O)C)(NCc2ccccc2)=O; CC(C(=O)NCc1cccc
    c1)NC(=O)C(CC(=O)NCC(C)(C)C)NC(=O)c2ccc(
    cc2)C(=O)NO; C[C@H](NC(=O)[C@H](CC(=O)NC
    C(C)(C)C)NC(=O)c1ccc(cc1)C(=O)NO)C(=O)NC
    c2ccccc2    		 N-(2,2-dimethylpropyl)-N~2~-[4-(hydroxycarbamoyl)benzene-1-carbonyl]-L-asparaginyl-N-benzyl-L-alaninamide
    19900
    FGZ
    ZINC000000156492    		 1 C7 H4 Cl2 O3 InChI=1S/C7H4Cl2O3/c8-4-1
    -3(7(11)12)2-5(9)6(4)10/h
    1-2,10H,(H,11,12);
    AULKDLUOQCUNOK-UHFFFAOYSA-N    		 O=C(c1cc(Cl)c(O)c(Cl)c1)O; c1c(cc(c(c1Cl
    )O)Cl)C(=O)O; OC(=O)c1cc(Cl)c(O)c(Cl)c1    		 3,5-dichloro-4-hydroxybenzoic acid
    19901
    FH0
    CHEMBL4776838    		 2 C26 H28 N8 O InChI=1S/C26H28N8O/c1-32-
    11-13-33(14-12-32)21-6-4-
    20(5-7-21)29-26-28-10-8-2
    2(30-26)24-23-18-35-16-15
    -34(23)31-25(24)19-3-2-9-
    27-17-19/h2-10,17H,11-16,
    18H2,1H3,(H,28,29,30);
    OCSGNUMYNBZDDW-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc(Nc3nccc(n3)c4c5COCCn5nc
    4c6cccnc6)cc2; CN1CCN(CC1)c2ccc(cc2)Nc3n
    ccc(n3)c4c5n(nc4c6cccnc6)CCOC5    		 ~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-pyridin-3-yl-6,7-dihydro-4~{H}-pyrazolo[5,1-c][1,4]oxazin-3-yl)pyrimidin-2-amine
    19902
    FH1
    CHEMBL4215267    		 1 C37 H50 N6 O9 S InChI=1S/C37H50N6O9S/c1-8
    -22-19-37(22,33(46)42-53(
    48,49)36(6)15-16-36)41-30
    (44)28-18-25(51-31-21(2)3
    8-26-14-13-24(50-7)17-27(
    26)39-31)20-43(28)32(45)2
    9(35(3,4)5)40-34(47)52-23
    -11-9-10-12-23/h8,13-14,1
    7,22-23,25,28-29H,1,9-12,
    15-16,18-20H2,2-7H3,(H,40
    ,47)(H,41,44)(H,42,46)/t2
    2-,25-,28+,29-,37-/m1/s1;
    XMUMASNXHDVGQJ-LCWNRMNXSA-N    		 Cc1c(nc2cc(ccc2n1)OC)O[C@@H]3C[C@H](N(C3
    )C(=O)[C@H](C(C)(C)C)NC(=O)OC4CCCC4)C(=O
    )N[C@@]5(C[C@H]5C=C)C(=O)NS(=O)(=O)C6(CC
    6)C; COc1ccc2nc(C)c(O[CH]3C[CH](N(C3)C(=
    O)[CH](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]
    5(C[CH]5C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc
    2c1; Cc1c(nc2cc(ccc2n1)OC)OC3CC(N(C3)C(=
    O)C(C(C)(C)C)NC(=O)OC4CCCC4)C(=O)NC5(CC5
    C=C)C(=O)NS(=O)(=O)C6(CC6)C; COc1ccc2nc(
    C)c(O[C@@H]3C[C@H](N(C3)C(=O)[C@@H](NC(=
    O)OC4CCCC4)C(C)(C)C)C(=O)N[C@@]5(C[C@H]5
    C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc2c1; C3(
    CC(Oc2c(nc1ccc(cc1n2)OC)C)CN3C(=O)C(C(C)
    (C)C)NC(OC4CCCC4)=O)C(NC5(C(/C=C)C5)C(=O
    )NS(C6(CC6)C)(=O)=O)=O    		 N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-L-prolinamide
    19903
    FH2    		 1 C7 H11 F O4 InChI=1S/C7H11FO4/c8-5-4(
    10)1-3(2-9)6(11)7(5)12/h1
    ,4-7,9-12H,2H2/t4-,5-,6-,
    7+/m0/s1;
    GCEFMEUYUSFIFI-ZTYPAOSTSA-N    		 C1=C([C@@H]([C@@H]([C@H]([C@H]1O)F)O)O)C
    O; OCC1=C[C@H](O)[C@H](F)[C@@H](O)[C@H]1
    O; C1=C(C(C(C(C1O)F)O)O)CO; OCC1=C[CH](O
    )[CH](F)[CH](O)[CH]1O    		 (1~{S},2~{S},3~{S},4~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol
    19904
    FH3
    CHEMBL3087778
    ZINC000095921385    		 1 C18 H22 Cl N7 O InChI=1S/C18H22ClN7O/c1-1
    0-13(9-25(3)24-10)17-22-1
    5-16(14(19)7-21-18(15)23-
    17)26-5-4-12(8-26)6-20-11
    (2)27/h7,9,12H,4-6,8H2,1-
    3H3,(H,20,27)(H,21,22,23)
    /t12-/m0/s1;
    KLKOJHYRAITDCX-LBPRGKRZSA-N    		 Cn1cc(c(C)n1)c2[nH]c3ncc(Cl)c(N4CC[C@@H]
    (CNC(C)=O)C4)c3n2; Cc1c(cn(n1)C)c2[nH]c3
    c(n2)c(c(cn3)Cl)N4CCC(C4)CNC(=O)C; Cc1c(
    cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4CC[C@H
    ](C4)CNC(=O)C; Cn1cc(c(C)n1)c2[nH]c3ncc(
    Cl)c(N4CC[CH](CNC(C)=O)C4)c3n2; O=C(NCC4
    CCN(c1c2nc(nc2ncc1Cl)c3cn(nc3C)C)C4)C    		 (S)-N-((1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)methyl)acetamide
    19905
    FH4
    CHEMBL4205968    		 1 C39 H54 N6 O9 S InChI=1S/C39H54N6O9S/c1-9
    -23-20-39(23,35(48)44-55(
    50,51)38(7)16-17-38)43-32
    (46)29-19-26(53-33-30(22(
    2)3)40-27-15-14-25(52-8)1
    8-28(27)41-33)21-45(29)34
    (47)31(37(4,5)6)42-36(49)
    54-24-12-10-11-13-24/h9,1
    4-15,18,22-24,26,29,31H,1
    ,10-13,16-17,19-21H2,2-8H
    3,(H,42,49)(H,43,46)(H,44
    ,48)/t23-,26-,29+,31-,39-
    /m1/s1;
    SXDJYVUXIXGZPI-GQBWDAOWSA-N    		 COc1ccc2nc(C(C)C)c(O[CH]3C[CH](N(C3)C(=O
    )[CH](NC(=O)OC4CCCC4)C(C)(C)C)C(=O)N[C]5
    (C[CH]5C=C)C(=O)N[S](=O)(=O)C6(C)CC6)nc2
    c1; COc1ccc2nc(C(C)C)c(O[C@@H]3C[C@H](N(
    C3)C(=O)[C@@H](NC(=O)OC4CCCC4)C(C)(C)C)C
    (=O)N[C@@]5(C[C@H]5C=C)C(=O)N[S](=O)(=O)
    C6(C)CC6)nc2c1; CC(C)c1c(nc2cc(ccc2n1)OC
    )O[C@@H]3C[C@H](N(C3)C(=O)[C@H](C(C)(C)C
    )NC(=O)OC4CCCC4)C(=O)N[C@@]5(C[C@H]5C=C)
    C(=O)NS(=O)(=O)C6(CC6)C; C5(C(NC1(C(/C=C
    )C1)C(=O)NS(C2(CC2)C)(=O)=O)=O)CC(Oc4c(n
    c3ccc(cc3n4)OC)C(C)C)CN5C(=O)C(C(C)(C)C)
    NC(OC6CCCC6)=O; CC(C)c1c(nc2cc(ccc2n1)OC
    )OC3CC(N(C3)C(=O)C(C(C)(C)C)NC(=O)OC4CCC
    C4)C(=O)NC5(CC5C=C)C(=O)NS(=O)(=O)C6(CC6
    )C    		 N-[(cyclopentyloxy)carbonyl]-3-methyl-L-valyl-(4R)-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-4-{[7-methoxy-3-(propan-2-yl)quinoxalin-2-yl]oxy}-L-prolinamide
    19906
    FH5
    CHEMBL3087776
    ZINC000095921384    		 1 C17 H20 Cl N7 O InChI=1S/C17H20ClN7O/c1-9
    -12(8-24(3)23-9)16-21-14-
    15(13(18)6-19-17(14)22-16
    )25-5-4-11(7-25)20-10(2)2
    6/h6,8,11H,4-5,7H2,1-3H3,
    (H,20,26)(H,19,21,22)/t11
    -/m0/s1;
    XDTMWNUVKUHOQV-NSHDSACASA-N    		 Cn1cc(c(C)n1)c2[nH]c3ncc(Cl)c(N4CC[CH](C
    4)NC(C)=O)c3n2; Cn1cc(c(C)n1)c2[nH]c3ncc
    (Cl)c(N4CC[C@@H](C4)NC(C)=O)c3n2; O=C(NC
    4CCN(c1c2nc(nc2ncc1Cl)c3cn(nc3C)C)C4)C;
    Cc1c(cn(n1)C)c2[nH]c3c(n2)c(c(cn3)Cl)N4C
    CC(C4)NC(=O)C; Cc1c(cn(n1)C)c2[nH]c3c(n2
    )c(c(cn3)Cl)N4CC[C@@H](C4)NC(=O)C    		 (S)-N-(1-(6-chloro-2-(1,3-dimethyl-1H-pyrazol-4-yl)-3H-imidazo[4,5-b]pyridin-7-yl)pyrrolidin-3-yl)acetamide
    19907
    FH6    		 1 C8 H14 N2 O2 S InChI=1S/C8H14N2O2S/c1-5-
    7(2-8(12)10-5)13-4-6(9)3-
    11/h3,5-7H,2,4,9H2,1H3,(H
    ,10,12)/t5-,6+,7+/m0/s1;
    DSBMZROJCWDNEG-RRKCRQDMSA-N    		 C[C@H]1[C@@H](CC(=O)N1)SC[C@@H](C=O)N; C
    [C@@H]1NC(=O)C[C@H]1SC[C@H](N)C=O; CC1C(
    CC(=O)N1)SCC(C=O)N; C[CH]1NC(=O)C[CH]1SC
    [CH](N)C=O    		 (2~{R})-2-azanyl-3-[(2~{S},3~{R})-2-methyl-5-oxidanylidene-pyrrolidin-3-yl]sulfanyl-propanal
    19908
    FH7
    ZINC000058631470    		 0 C6 H12 N2 O4 InChI=1S/C6H12N2O4/c7-5(6
    (10)11)2-1-3-8(12)4-9/h4-
    5,12H,1-3,7H2,(H,10,11)/t
    5-/m1/s1;
    KORLZEIJSHHTDW-RXMQYKEDSA-N    		 O=C(O)C(N)CCCN(O)C=O; C(C[C@H](C(=O)O)N)
    CN(C=O)O; N[CH](CCCN(O)C=O)C(O)=O; C(CC(
    C(=O)O)N)CN(C=O)O; N[C@H](CCCN(O)C=O)C(O
    )=O    		 N^5^-formyl-N^5^-hydroxy-D-ornithine
    19909
    FH8
    ZINC000022054130    		 0 C25 H23 N2 O5 InChI=1S/C25H22N2O5/c1-26
    (2)15-6-9-18-21(12-15)32-
    22-13-16(27(3)4)7-10-19(2
    2)23(18)17-8-5-14(24(28)2
    9)11-20(17)25(30)31/h5-13
    H,1-4H3,(H-,28,29,30,31)/
    p+1;
    YMZMTOFQCVHHFB-UHFFFAOYSA-O    		 CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C(O
    )=O)C(O)=O)=[N+](C)C)c1; CN(C)c1ccc2c(c1
    )OC3=CC(=[N+](C)C)C=CC3=C2c4ccc(cc4C(=O)
    O)C(=O)O    		 5-carboxy methylrhodamine
    19910
    FH9
    CHEMBL3577332
    ZINC000230520268    		 1 C21 H40 N4 O4 InChI=1S/C21H40N4O4/c1-15
    (2)11-13-23-19(26)18(14-1
    6-8-4-3-5-9-16)25-21(29)2
    4-17(20(27)28)10-6-7-12-2
    2/h15-18H,3-14,22H2,1-2H3
    ,(H,23,26)(H,27,28)(H2,24
    ,25,29)/t17-,18+/m0/s1;
    PNONBGCPQRQQBB-ZWKOTPCHSA-N    		 CC(C)CCNC(=O)[CH](CC1CCCCC1)NC(=O)N[CH](
    CCCCN)C(O)=O; CC(C)CCNC(=O)[C@@H](CC1CCC
    CC1)NC(=O)N[C@@H](CCCCN)C(=O)O; CC(C)CCN
    C(=O)C(CC1CCCCC1)NC(=O)NC(CCCCN)C(=O)O;
    CC(C)CCNC(=O)[C@@H](CC1CCCCC1)NC(=O)N[C@
    @H](CCCCN)C(O)=O    		 (2S)-6-azanyl-2-[[(2R)-3-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]carbamoylamino]hexanoic acid
    19911
    FHA
    ZINC000034624499    		 1 C11 H17 F N5 O11 P3 InChI=1S/C11H17FN5O11P3/c
    12-11(30(21,22)28-31(23,2
    4)25)29(19,20)26-2-6-5(18
    )1-7(27-6)17-4-16-8-9(13)
    14-3-15-10(8)17/h3-7,11,1
    8H,1-2H2,(H,19,20)(H,21,2
    2)(H2,13,14,15)(H2,23,24,
    25)/t5-,6+,7+,11-/m0/s1;
    HAJKJTDYTZCDDL-LLVCWYDASA-N    		 O=P(O)(O)OP(=O)(O)C(F)P(=O)(O)OCC3OC(n2c
    nc1c(ncnc12)N)CC3O; Nc1ncnc2n(cnc12)[CH]
    3C[CH](O)[CH](CO[P](O)(=O)[CH](F)[P](O)(
    =O)O[P](O)(O)=O)O3; Nc1ncnc2n(cnc12)[C@H
    ]3C[C@H](O)[C@@H](CO[P](O)(=O)[C@H](F)[P
    ](O)(=O)O[P](O)(O)=O)O3; c1nc(c2c(n1)n(c
    n2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)([C@
    H](F)[P@](=O)(O)OP(=O)(O)O)O)O)N; c1nc(c
    2c(n1)n(cn2)C3CC(C(O3)COP(=O)(C(F)P(=O)(
    O)OP(=O)(O)O)O)O)N    		 2'-deoxy-5'-O-[(S)-{(S)-fluoro[(S)-hydroxy(phosphonooxy)phosphoryl]methyl}(hydroxy)phosphoryl]adenosine
    19912
    FHB
    ZINC000000404062    		 17 C7 H5 F O3 InChI=1S/C7H5FO3/c8-5-3-4
    (7(10)11)1-2-6(5)9/h1-3,9
    H,(H,10,11);
    IUSDEKNMCOUBEE-UHFFFAOYSA-N    		 OC(=O)c1ccc(O)c(F)c1; Fc1cc(C(=O)O)ccc1O
    ; c1cc(c(cc1C(=O)O)F)O    		 3-FLUORO-4-HYDROXYBENZOIC ACID
    19913
    FHC
    DB02384    		 11 C9 H6 F O3 InChI=1S/C9H7FO3/c10-8(9(
    12)13)5-6-1-3-7(11)4-2-6/
    h1-5,11H,(H,12,13)/p-1/b8
    -5+;
    SBIZDOWXYPNTOJ-VMPITWQZSA-M    		 c1cc(ccc1\C=C(/C(=O)[O-])\F)O; [O-]C(=O)
    C(/F)=C\c1ccc(O)cc1; Oc1ccc(cc1)\C=C(F)/
    C([O-])=O; Oc1ccc(cc1)C=C(F)C([O-])=O; c
    1cc(ccc1C=C(C(=O)[O-])F)O    		 2-FLUORO-3-(4-HYDROXYPHENYL)-2E-PROPENEOATE;
    (E)-2-FLUORO-P-HYDROXYCINNAMATE
    19914
    FHD    		 1 C36 H49 Cl N6 O9 S InChI=1S/C36H49ClN6O9S/c1
    -8-10-11-16-51-33(47)40-2
    7(34(3,4)5)31(45)43-20-23
    (52-30-28(37)38-24-13-12-
    22(50-7)17-25(24)39-30)18
    -26(43)29(44)41-36(19-21(
    36)9-2)32(46)42-53(48,49)
    35(6)14-15-35/h9,12-13,17
    ,21,23,26-27H,2,8,10-11,1
    4-16,18-20H2,1,3-7H3,(H,4
    0,47)(H,41,44)(H,42,46)/t
    21-,23-,26+,27-,36-/m1/s1;
    GCSLYGDUYMRXAE-BTMIYQIWSA-N    		 C1(CC(CN1C(C(C(C)(C)C)NC(=O)OCCCCC)=O)Oc
    3c(nc2ccc(cc2n3)OC)Cl)C(NC4(C(/C=C)C4)C(
    NS(C5(CC5)C)(=O)=O)=O)=O; CCCCCOC(=O)NC(
    C(=O)N1CC(CC1C(=O)NC2(CC2C=C)C(=O)NS(=O)
    (=O)C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C
    )(C)C; CCCCCOC(=O)N[CH](C(=O)N1C[CH](C[C
    H]1C(=O)N[C]2(C[CH]2C=C)C(=O)N[S](=O)(=O
    )C3(C)CC3)Oc4nc5cc(OC)ccc5nc4Cl)C(C)(C)C
    ; CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C@H
    ]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)NS(=O)(=O
    )C3(CC3)C)Oc4c(nc5ccc(cc5n4)OC)Cl)C(C)(C
    )C; CCCCCOC(=O)N[C@H](C(=O)N1C[C@@H](C[C
    @H]1C(=O)N[C@@]2(C[C@H]2C=C)C(=O)N[S](=O
    )(=O)C3(C)CC3)Oc4nc5cc(OC)ccc5nc4Cl)C(C)
    (C)C    		 3-methyl-N-[(pentyloxy)carbonyl]-L-valyl-(4R)-4-[(3-chloro-7-methoxyquinoxalin-2-yl)oxy]-N-[(1R,2S)-2-ethenyl-1-{[(1-methylcyclopropyl)sulfonyl]carbamoyl}cyclopropyl]-L-prolinamide
    19915
    FHE    		 0 C22 H20 N4 O7 InChI=1S/C22H20N4O7/c1-13
    (27)20(23)21-24-17(22(30)
    25(21)11-19(28)29)10-14-6
    -8-16(9-7-14)33-12-15-4-2
    -3-5-18(15)26(31)32/h2-10
    ,20H,11-12,23H2,1H3,(H,28
    ,29)/b17-10-/t20-/m0/s1;
    KREAIPAPYKOQTE-PSXSOWLISA-N    		 CC(=O)C(C1=NC(=Cc2ccc(cc2)OCc3ccccc3[N+]
    (=O)[O-])C(=O)N1CC(=O)O)N; CC(=O)[CH](N)
    C1=NC(=Cc2ccc(OCc3ccccc3[N+]([O-])=O)cc2
    )C(=O)N1CC(O)=O; CC(=O)[C@H](N)C1=NC(=C/
    c2ccc(OCc3ccccc3[N+]([O-])=O)cc2)\C(=O)N
    1CC(O)=O; CC(=O)[C@@H](C1=N/C(=C\c2ccc(c
    c2)OCc3ccccc3[N+](=O)[O-])/C(=O)N1CC(=O)
    O)N    		 2-[(4~{Z})-2-[(1~{R})-1-azanyl-2-oxidanylidene-propyl]-4-[[4-[(2-nitrophenyl)methoxy]phenyl]methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
    19916
    FHF
    CHEMBL1643878
    ZINC000043154485    		 1 C19 H28 F N3 O4 InChI=1S/C19H28FN3O4/c1-4
    -5-8-14(11-23(27)12-24)18
    (25)17(13(2)3)22-19(26)21
    -16-10-7-6-9-15(16)20/h6-
    7,9-10,12-14,17,27H,4-5,8
    ,11H2,1-3H3,(H2,21,22,26)
    /t14-,17+/m1/s1;
    OWFALUNDSZEADU-PBHICJAKSA-N    		 CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccc
    cc1F; O=C(Nc1ccccc1F)NC(C(=O)C(CCCC)CN(O
    )C=O)C(C)C; CCCC[C@H](CN(O)C=O)C(=O)[C@@
    H](NC(=O)Nc1ccccc1F)C(C)C; CCCC[C@H](CN(
    C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccccc1F;
    CCCC[CH](CN(O)C=O)C(=O)[CH](NC(=O)Nc1cc
    ccc1F)C(C)C    		 N-((2R,4S)-2-butyl-4-(3-(2-fluorophenyl)ureido)-5-methyl-3-oxohexyl)-N-hydroxyformamide
    19917
    FHG
    ZINC000098208885    		 1 C11 H17 F N5 O12 P3 InChI=1S/C11H17FN5O12P3/c
    12-10(30(20,21)22)31(23,2
    4)29-32(25,26)27-2-5-4(18
    )1-6(28-5)17-3-14-7-8(17)
    15-11(13)16-9(7)19/h3-6,1
    0,18H,1-2H2,(H,23,24)(H,2
    5,26)(H2,20,21,22)(H3,13,
    15,16,19)/t4-,5+,6+,10-/m
    0/s1;
    PVDLZOAYDIZEDJ-KQQCLRPBSA-N    		 O=P(O)(O)C(F)P(=O)(O)OP(=O)(O)OCC3OC(n2c
    nc1c2N=C(N)NC1=O)CC3O; c1nc2c(n1[C@H]3C[
    C@@H]([C@H](O3)COP(=O)(O)OP(=O)([C@@H](F
    )P(=O)(O)O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc
    2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(=O)O
    [P](O)(=O)[CH](F)[P](O)(O)=O)O3; c1nc2c(
    n1C3CC(C(O3)COP(=O)(O)OP(=O)(C(F)P(=O)(O
    )O)O)O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1
    )[C@H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](
    O)(=O)[C@@H](F)[P](O)(O)=O)O3    		 2'-deoxy-5'-O-[(R)-{[(R)-[(S)-fluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine
    19918
    FHH    		 2 C14 H18 N2 O4 InChI=1S/C14H18N2O4/c1-20
    -12(17)6-3-7-15-13(18)10-
    8-9-4-2-5-11(9)16-14(10)1
    9/h8H,2-7H2,1H3,(H,15,18)
    (H,16,19);
    LFOKUSURFOQCKJ-UHFFFAOYSA-N    		 COC(=O)CCCNC(=O)C1=CC2=C(CCC2)NC1=O methyl 4-[(2-oxidanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridin-3-yl)carbonylamino]butanoate
    19919
    FHI
    CHEMBL1232738
    ZINC000006453326    		 1 C13 H7 F2 I O3 InChI=1S/C13H7F2IO3/c14-7
    -1-2-8(10(15)5-7)6-3-9(13
    (18)19)12(17)11(16)4-6/h1
    -5,17H,(H,18,19);
    SSYOLLIRAAWGDJ-UHFFFAOYSA-N    		 c1cc(c(cc1F)F)c2cc(c(c(c2)I)O)C(=O)O; Ic
    2cc(c1ccc(F)cc1F)cc(C(=O)O)c2O; OC(=O)c1
    cc(cc(I)c1O)c2ccc(F)cc2F    		 2',4'-DIFLUORO-4-HYDROXY-5-IODO-1,1'-BIPHENYL-3-CARBOXYLIC ACID;
    IODODIFLUNISAL
    19920
    FHJ    		 1 C25 H27 N O5 InChI=1S/C25H27NO5/c1-16-
    9-11-17(12-10-16)15-20(26
    -18-7-5-4-6-8-18)25-14-13
    -19(31-25)21(23(27)29-2)2
    2(25)24(28)30-3/h4-14,19-
    22,26H,15H2,1-3H3/t19-,20
    +,21+,22-,25-/m1/s1;
    AOCBOTNEIQNHIY-OAKYZLIPSA-N    		 Cc1ccc(cc1)CC(C23C=CC(O2)C(C3C(=O)OC)C(=
    O)OC)Nc4ccccc4; Cc1ccc(cc1)C[C@@H]([C@@]
    23C=C[C@@H](O2)[C@@H]([C@@H]3C(=O)OC)C(=
    O)OC)Nc4ccccc4; COC(=O)[CH]1[CH]2O[C](C=
    C2)([CH](Cc3ccc(C)cc3)Nc4ccccc4)[CH]1C(=
    O)OC; COC(=O)[C@H]1[C@@H]2O[C@](C=C2)([C
    @H](Cc3ccc(C)cc3)Nc4ccccc4)[C@H]1C(=O)OC
    ; c1cc(ccc1)NC(C32C(C(=O)OC)C(C(O2)C=C3)
    C(=O)OC)Cc4ccc(cc4)C    		 dimethyl (1S,2S,3R,4R)-1-[(1S)-2-(4-methylphenyl)-1-(phenylamino)ethyl]-7-oxabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
    19921
    FHK    		 6 C21 H14 N2 O6 S InChI=1S/C21H14N2O6S/c24-
    19-17-3-1-2-4-18(17)20(25
    )23(19)15-9-11-16(12-10-1
    5)30(28,29)22-14-7-5-13(6
    -8-14)21(26)27/h1-12,22H,
    (H,26,27);
    KCHARURJHJMOQX-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)N(C2=O)c3ccc(cc3)S(=O)(=
    O)Nc4ccc(cc4)C(=O)O; OC(=O)c1ccc(N[S](=O
    )(=O)c2ccc(cc2)N3C(=O)c4ccccc4C3=O)cc1    		 4-[[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]sulfonylamino]benzoic acid
    19922
    FHL
    ZINC000058633190    		 0 C11 H20 N2 O5 InChI=1S/C11H20N2O5/c12-9
    (11(17)18)3-1-2-6-13-8(7-
    14)4-5-10(15)16/h9,14H,1-
    7,12H2,(H,15,16)(H,17,18)
    /b13-8+/t9-/m0/s1;
    PTXADOKTUKJDDE-ITTMYVLYSA-N    		 N[C@@H](CCCCN=C(CO)CCC(O)=O)C(O)=O; C(CC
    /N=C(\CCC(=O)O)/CO)C[C@@H](C(=O)O)N; N[C
    H](CCCCN=C(CO)CCC(O)=O)C(O)=O; C(CCN=C(C
    CC(=O)O)CO)CC(C(=O)O)N; O=C(O)C(N)CCCC/N
    =C(/CO)CCC(=O)O    		 (E)-N~6~-[3-CARBOXY-1-(HYDROXYMETHYL)PROPYLIDENE]-L-LYSINE;
    2-AMINO-6-(3-CARBOXY-1-HYDROXYMETHYL-PROPYLIDENEAMINO)-HEXANOIC ACID
    19923
    FHM
    CHEMBL124718
    DB07769
    ZINC000003991694    		 3 C17 H14 F4 N2 O5 InChI=1S/C17H14F4N2O5/c1-
    16(25,9-28-12-5-2-10(18)3
    -6-12)15(24)22-11-4-7-14(
    23(26)27)13(8-11)17(19,20
    )21/h2-8,25H,9H2,1H3,(H,2
    2,24)/t16-/m0/s1;
    KJMFOTCDISOHDX-INIZCTEOSA-N    		 CC(COc1ccc(cc1)F)(C(=O)Nc2ccc(c(c2)C(F)(
    F)F)[N+](=O)[O-])O; C[C](O)(COc1ccc(F)cc
    1)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O
    ; C[C@](O)(COc1ccc(F)cc1)C(=O)Nc2ccc(c(c
    2)C(F)(F)F)[N+]([O-])=O; C[C@](COc1ccc(c
    c1)F)(C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+](=O)
    [O-])O; FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC
    (=O)C(O)(COc2ccc(F)cc2)C    		 S-3-(4-FLUOROPHENOXY)-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
    19924
    FHN    		 2 C7 H16 N O5 InChI=1S/C7H15NO5/c9-1-3-
    5(11)7(13)6(12)4(2-10)8-3
    /h3-13H,1-2H2/p+1/t3-,4-,
    5+,6+/m0/s1;
    CLVUFWXGNIFGNC-UNTFVMJOSA-O    		 OC[CH]1[NH2+][CH](CO)[CH](O)[CH](O)[CH]1
    O; C([C@H]1[C@H](C([C@@H]([C@@H]([NH2+]1
    )CO)O)O)O)O; C(C1C(C(C(C([NH2+]1)CO)O)O)
    O)O; OC[C@@H]1[NH2+][C@@H](CO)[C@@H](O)[
    C@H](O)[C@@H]1O; OC1C(CO)[NH2+]C(C(O)C1O
    )CO    		 (2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM
    19925
    FHO
    ZINC000058633193    		 0 C6 H12 N2 O4 InChI=1S/C6H12N2O4/c7-5(6
    (10)11)2-1-3-8(12)4-9/h4-
    5,12H,1-3,7H2,(H,10,11)/t
    5-/m0/s1;
    KORLZEIJSHHTDW-YFKPBYRVSA-N    		 O=C(O)C(N)CCCN(O)C=O; N[CH](CCCN(O)C=O)C
    (O)=O; C(C[C@@H](C(=O)O)N)CN(C=O)O; N[C@
    @H](CCCN(O)C=O)C(O)=O; C(CC(C(=O)O)N)CN(
    C=O)O    		 N^5^-FORMYL-N^5^-HYDROXY-L-ORNITHINE
    19926
    FHP
    ZINC000001535663    		 4 C15 H27 O4 P InChI=1S/C15H27O4P/c1-12(
    2)7-5-8-13(3)9-6-10-14(4)
    11-15(16)20(17,18)19/h7,9
    ,11,15-16H,5-6,8,10H2,1-4
    H3,(H2,17,18,19)/b13-9+,1
    4-11+/t15-/m1/s1;
    MONZTFSZTWQCKH-UBHHKXJDSA-N    		 CC(=CCC/C(=C/CC/C(=C/[C@H](O)P(=O)(O)O)/
    C)/C)C; CC(C)=CCC/C(C)=C/CC/C(C)=C/[C@H]
    (O)[P](O)(O)=O; CC(=CCCC(=CCCC(=CC(O)P(=
    O)(O)O)C)C)C; CC(C)=CCCC(C)=CCCC(C)=C[CH
    ](O)[P](O)(O)=O; O=P(O)(O)C(O)/C=C(/CC\C
    =C(/C)CC\C=C(/C)C)C    		 1-HYDROXY-3,7,11-TRIMETHYLDODECA-2,6,10-TRIENE PHOSPHONIC ACID;
    FARNESYL HYDROXYPHOSPHONATE
    19927
    FHQ
    ZINC000006557364    		 2 C10 H9 Br N6 O InChI=1S/C10H9BrN6O/c11-8
    -3-1-7(2-4-8)6-12-15-10(1
    8)5-9-13-16-17-14-9/h1-4,
    6H,5H2,(H,15,18)(H,13,14,
    16,17)/b12-6+;
    JWJFYTRXLSOUEZ-WUXMJOGZSA-N    		 Brc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2; c1cc(c
    cc1C=NNC(=O)Cc2n[nH]nn2)Br; Brc1ccc(cc1)
    /C=N/NC(=O)Cc2n[nH]nn2; c1cc(ccc1/C=N/NC
    (=O)Cc2n[nH]nn2)Br    		 ~{N}-[(~{E})-(4-bromophenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
    19928
    FHR
    CHEMBL4796938    		 4 C25 H32 N4 O4 InChI=1S/C25H32N4O4/c30-1
    5-19(13-18-10-11-26-23(18
    )31)27-24(32)21(12-16-6-2
    -1-3-7-16)29-25(33)22-14-
    17-8-4-5-9-20(17)28-22/h4
    -5,8-9,14-16,18-19,21,28H
    ,1-3,6-7,10-13H2,(H,26,31
    )(H,27,32)(H,29,33)/t18-,
    19-,21-/m0/s1;
    HPKJGHVHQWJOOT-ZJOUEHCJSA-N    		 c1ccc2c(c1)cc([nH]2)C(=O)N[C@@H](CC3CCCC
    C3)C(=O)N[C@@H](C[C@@H]4CCNC4=O)C=O; O=C
    [CH](C[CH]1CCNC1=O)NC(=O)[CH](CC2CCCCC2)
    NC(=O)c3[nH]c4ccccc4c3; c1ccc2c(c1)cc([n
    H]2)C(=O)NC(CC3CCCCC3)C(=O)NC(CC4CCNC4=O
    )C=O; O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@
    H](CC2CCCCC2)NC(=O)c3[nH]c4ccccc4c3    		 ~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
    19929
    FHS    		 3 C30 H44 N4 O9 S InChI=1S/C30H44N4O9S/c1-1
    9(2)14-23(27(37)32-24(28(
    38)44(40,41)42)16-21-8-11
    -31-26(21)36)33-29(39)43-
    22-17-30(18-22)9-12-34(13
    -10-30)25(35)15-20-6-4-3-
    5-7-20/h3-7,19,21-24,28,3
    8H,8-18H2,1-2H3,(H,31,36)
    (H,32,37)(H,33,39)(H,40,4
    1,42)/t21-,23-,24-,28-/m0
    /s1;
    YKVWDIALSLITCN-GLIKCIFVSA-N    		 CC(C)C[C@H](NC(=O)OC1CC2(CCN(CC2)C(=O)Cc
    3ccccc3)C1)C(=O)N[C@@H](C[C@@H]4CCNC4=O)
    [C@@H](O)[S](O)(=O)=O; O=C1NCCC1CC(NC(=O
    )C(CC(C)C)NC(=O)OC1CC2(CCN(CC2)C(=O)Cc2c
    cccc2)C1)C(O)S(=O)(=O)O; CC(C)C[C@@H](C(
    =O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4ccccc4
    ; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=
    O)O)NC(=O)OC2CC3(C2)CCN(CC3)C(=O)Cc4cccc
    c4; CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)C(=O
    )Cc3ccccc3)C1)C(=O)N[CH](C[CH]4CCNC4=O)[
    CH](O)[S](O)(=O)=O    		 (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid
    19930
    FHT    		 1 C10 H11 Br N7 O2 InChI=1S/C10H10BrN7O2/c11
    -6-3-1-5(2-4-6)9(19)13-7(
    10(20)14-12)8-15-17-18-16
    -8/h1-4,7H,12H2,(H,13,19)
    (H,14,20)(H,15,16,17,18)/
    p+1/t7-/m1/s1;
    UZGSPOKOIKICEW-SSDOTTSWSA-O    		 c1cc(ccc1C(=O)N[C@H](c2n[nH]nn2)C(=O)N[N
    H3+])Br; c1cc(ccc1C(=O)NC(c2n[nH]nn2)C(=
    O)N[NH3+])Br; [NH3+]NC(=O)[CH](NC(=O)c1c
    cc(Br)cc1)c2n[nH]nn2; [NH3+]NC(=O)[C@H](
    NC(=O)c1ccc(Br)cc1)c2n[nH]nn2    		 [[(2~{R})-2-[(4-bromophenyl)carbonylamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
    19931
    FHU
    ZINC000058633485    		 0 C9 H14 F N2 O10 P InChI=1S/C9H14FN2O10P/c10
    -9(6(15)11-8(17)12-7(9)16
    )5-4(14)3(13)2(22-5)1-21-
    23(18,19)20/h2-6,13-15H,1
    H2,(H2,18,19,20)(H2,11,12
    ,16,17)/t2-,3-,4-,5-,6-,9
    +/m1/s1;
    MDODZQNHCLANBT-ZTZBTGHISA-N    		 O[C@H]1NC(=O)NC(=O)[C@]1(F)[C@@H]2O[C@H]
    (CO[P](O)(O)=O)[C@@H](O)[C@H]2O; O=P(OCC
    1OC(C(O)C1O)C2(F)C(=O)NC(=O)NC2O)(O)O; O
    [CH]1NC(=O)NC(=O)[C]1(F)[CH]2O[CH](CO[P]
    (O)(O)=O)[CH](O)[CH]2O; C([C@@H]1[C@H]([
    C@H]([C@@H](O1)[C@@]2([C@H](NC(=O)NC2=O)
    O)F)O)O)OP(=O)(O)O; C(C1C(C(C(O1)C2(C(NC
    (=O)NC2=O)O)F)O)O)OP(=O)(O)O    		 (5S,6R)-5-FLUORO-6-HYDROXY-PSEUDOURIDINE-5'-MONOPHOSPHATE
    19932
    FHV
    CHEMBL1445271
    ZINC000004840665    		 1 C12 H16 N2 O InChI=1S/C12H16N2O/c1-10-
    5-4-6-11(9-10)13-12(15)14
    -7-2-3-8-14/h4-6,9H,2-3,7
    -8H2,1H3,(H,13,15);
    GBAXIZXGDZHLTH-UHFFFAOYSA-N    		 O=C(Nc1cc(ccc1)C)N2CCCC2; Cc1cccc(c1)NC(
    =O)N2CCCC2; Cc1cccc(NC(=O)N2CCCC2)c1    		 N-(3-METHYLPHENYL)PYRROLIDINE-1-CARBOXAMIDE
    19933
    FHW    		 1 C10 H12 N6 O InChI=1S/C10H12N6O/c11-12
    -10(17)8(9-13-15-16-14-9)
    6-7-4-2-1-3-5-7/h1-5,8H,6
    ,11H2,(H,12,17)(H,13,14,1
    5,16)/t8-/m1/s1;
    SGFUQCKYWZCXFN-MRVPVSSYSA-N    		 NNC(=O)[C@H](Cc1ccccc1)c2n[nH]nn2; c1ccc
    (cc1)CC(c2n[nH]nn2)C(=O)NN; NNC(=O)[CH](
    Cc1ccccc1)c2n[nH]nn2; c1ccc(cc1)C[C@H](c
    2n[nH]nn2)C(=O)NN    		 (2~{R})-3-phenyl-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide
    19934
    FHX
    CHEMBL4297507
    DB16133
    ZINC000117625213    		 1 C16 H18 N6 O InChI=1S/C16H18N6O/c1-11-
    8-22(13(23)2-5-17)16(11)4
    -7-21(9-16)15-12-3-6-18-1
    4(12)19-10-20-15/h3,6,10-
    11H,2,4,7-9H2,1H3,(H,18,1
    9,20)/t11-,16-/m0/s1;
    LOWWYYZBZNSPDT-ZBEGNZNMSA-N    		 C[C@H]1CN(C(=O)CC#N)[C@]12CCN(C2)c3ncnc4
    [nH]ccc34; CC1CN(C12CCN(C2)c3c4cc[nH]c4n
    cn3)C(=O)CC#N; C[CH]1CN(C(=O)CC#N)[C]12C
    CN(C2)c3ncnc4[nH]ccc34; C[C@H]1CN([C@]12
    CCN(C2)c3c4cc[nH]c4ncn3)C(=O)CC#N    		 3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxidanylidene-propanenitrile
    19935
    FHY    		 2 C20 H32 N2 O13 InChI=1S/C20H32N2O13/c1-7
    (24)21-11-14(27)13(26)9(5
    -23)32-18(11)34-16-12(22-
    8(2)25)17(30-4)33-10-6-31
    -20(3,19(28)29)35-15(10)1
    6/h9-18,23,26-27H,5-6H2,1
    -4H3,(H,21,24)(H,22,25)(H
    ,28,29)/t9-,10-,11-,12+,1
    3-,14-,15-,16-,17-,18+,20
    +/m1/s1;
    HMXWDMHKOICGNH-MYXXRMNRSA-N    		 CO[CH]1O[CH]2CO[C](C)(O[CH]2[CH](O[CH]3O
    [CH](CO)[CH](O)[CH](O)[CH]3NC(C)=O)[CH]1
    NC(C)=O)C(O)=O; CC(=O)NC2C(OC)OC1COC(OC1
    C2OC3OC(CO)C(C(C3NC(C)=O)O)O)(C)C(O)=O;
    CC(=O)NC1C(C(C(OC1OC2C(C(OC3C2OC(OC3)(C)
    C(=O)O)OC)NC(=O)C)CO)O)O; CC(=O)N[C@@H]1
    [C@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@@H]
    ([C@@H](O[C@H]3[C@H]2O[C@@](OC3)(C)C(=O)
    O)OC)NC(=O)C)CO)O)O; CO[C@@H]1O[C@@H]2CO
    [C@@](C)(O[C@H]2[C@H](O[C@@H]3O[C@H](CO)
    [C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@@H]1NC
    (C)=O)C(O)=O    		 (2S,4aR,6R,7S,8R,8aS)-7-(acetylamino)-6-({2-(acetylamino)-3-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-4,6-O-[(1S)-1-carboxylic acidethylidene]-2-deoxy-beta-D-mannopyranosyl}oxy)-8-{[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]oxy}-2-methylhexahydro-2H-pyrano[3,2-d][1,3]dioxine-2-carboxylic acid
    19936
    FHZ    		 1 C11 H14 N6 O2 InChI=1S/C11H14N6O2/c1-19
    -8-4-2-7(3-5-8)6-9(11(18)
    13-12)10-14-16-17-15-10/h
    2-5,9H,6,12H2,1H3,(H,13,1
    8)(H,14,15,16,17)/t9-/m1/
    s1;
    OKIHHJXQEJHBAW-SECBINFHSA-N    		 COc1ccc(C[C@@H](C(=O)NN)c2n[nH]nn2)cc1;
    COc1ccc(cc1)CC(c2n[nH]nn2)C(=O)NN; COc1c
    cc(C[CH](C(=O)NN)c2n[nH]nn2)cc1; COc1ccc
    (cc1)C[C@H](c2n[nH]nn2)C(=O)NN    		 (2~{R})-3-(4-methoxyphenyl)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)propanehydrazide
    19937
    FI0
    ZINC000098208886    		 0 C15 H26 N2 O InChI=1S/C15H26N2O/c1-3-1
    2(2)10-17-11-15(18)14(16)
    9-13-7-5-4-6-8-13/h4-8,12
    ,14-15,17-18H,3,9-11,16H2
    ,1-2H3/t12-,14-,15+/m0/s1;
    BCCHGVZYNCKDJB-AEGPPILISA-N    		 OC(C(N)Cc1ccccc1)CNCC(C)CC; CC[C@H](C)CN
    C[C@H]([C@H](Cc1ccccc1)N)O; CC[C@H](C)CN
    C[C@@H](O)[C@@H](N)Cc1ccccc1; CCC(C)CNCC
    (C(Cc1ccccc1)N)O; CC[CH](C)CNC[CH](O)[CH
    ](N)Cc1ccccc1    		 (2R,3S)-3-amino-1-{[(2S)-2-methylbutyl]amino}-4-phenylbutan-2-ol
    19938
    FI1
    CHEMBL1923468
    ZINC000073196564    		 1 C28 H29 Cl N4 O5 S InChI=1S/C28H29ClN4O5S/c2
    9-22-8-6-20-13-23(9-7-19(
    20)12-22)39(37,38)30-24-3
    -2-10-31(28(24)36)17-27(3
    5)32-14-18-11-21(16-32)25
    -4-1-5-26(34)33(25)15-18/
    h1,4-9,12-13,18,21,24,30H
    ,2-3,10-11,14-17H2/t18-,2
    1+,24-/m0/s1;
    FLGSVBQCPOVGER-VNZMSGEBSA-N    		 c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)NC3CCCN(C3=
    O)CC(=O)N4CC5CC(C4)C6=CC=CC(=O)N6C5; Clc
    1ccc2cc(ccc2c1)[S](=O)(=O)N[CH]3CCCN(CC(
    =O)N4C[CH]5C[CH](C4)C6=CC=CC(=O)N6C5)C3=
    O; Clc2ccc1cc(ccc1c2)S(=O)(=O)NC3C(=O)N(
    CCC3)CC(=O)N6CC5CN4C(=O)C=CC=C4C(C5)C6;
    c1cc(cc2c1cc(cc2)Cl)S(=O)(=O)N[C@H]3CCCN
    (C3=O)CC(=O)N4C[C@@H]5C[C@H](C4)C6=CC=CC
    (=O)N6C5; Clc1ccc2cc(ccc2c1)[S](=O)(=O)N
    [C@H]3CCCN(CC(=O)N4C[C@@H]5C[C@H](C4)C6=
    CC=CC(=O)N6C5)C3=O    		 6-chloro-N-((3S)-2-oxo-1-(2-oxo-2-((5S)-8-oxo-5,6-dihydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(2H,4H,8H)-yl)ethyl)piperidin-3-yl)naphthalene-2-sulfonamide
    19939
    FI3
    ZINC000263620615    		 2 C34 H38 Cl2 N8 O4 InChI=1S/C34H38Cl2N8O4/c1
    -5-30(45)40-24-8-6-22(7-9
    -24)20-44(34(46)41-33-31(
    35)26(47-3)18-27(48-4)32(
    33)36)29-19-28(37-21-38-2
    9)39-23-10-12-25(13-11-23
    )43-16-14-42(2)15-17-43/h
    6-13,18-19,21H,5,14-17,20
    H2,1-4H3,(H,40,45)(H,41,4
    6)(H,37,38,39);
    JQGSJUDIVJFQRL-UHFFFAOYSA-N    		 Clc1c(OC)cc(OC)c(Cl)c1NC(=O)N(c2ncnc(c2)
    Nc3ccc(cc3)N4CCN(C)CC4)Cc5ccc(NC(=O)CC)c
    c5; CCC(=O)Nc1ccc(cc1)CN(c2cc(ncn2)Nc3cc
    c(cc3)N4CCN(CC4)C)C(=O)Nc5c(c(cc(c5Cl)OC
    )OC)Cl; CCC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c(
    OC)cc(OC)c2Cl)c3cc(Nc4ccc(cc4)N5CCN(C)CC
    5)ncn3)cc1    		 N-[4-({[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl](6-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino}methyl)phenyl]propanamide
    19940
    FI4
    ZINC000058631472    		 1 C20 H16 Cl F2 N5 O2 InChI=1S/C20H16ClF2N5O2/c
    1-10(29)9-24-18-16-17(12-
    4-2-3-5-13(12)21)27-28-19
    (16)26-20(25-18)30-15-7-6
    -11(22)8-14(15)23/h2-8,10
    ,29H,9H2,1H3,(H2,24,25,26
    ,27,28)/t10-/m0/s1;
    ULOWCFSJXCABBL-JTQLQIEISA-N    		 C[C@H](O)CNc1nc(Oc2ccc(F)cc2F)nc3[nH]nc(
    c4ccccc4Cl)c13; C[CH](O)CNc1nc(Oc2ccc(F)
    cc2F)nc3[nH]nc(c4ccccc4Cl)c13; Fc4ccc(Oc
    1nc2c(c(n1)NCC(O)C)c(nn2)c3ccccc3Cl)c(F)
    c4; CC(CNc1c2c(n[nH]c2nc(n1)Oc3ccc(cc3F)
    F)c4ccccc4Cl)O; C[C@@H](CNc1c2c(n[nH]c2n
    c(n1)Oc3ccc(cc3F)F)c4ccccc4Cl)O    		 (2S)-1-{[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}propan-2-ol
    19941
    FI5
    CHEMBL4575911
    ZINC000051865451    		 1 C11 H15 N3 O2 InChI=1S/C11H15N3O2/c12-1
    1(15)10-7-9(3-6-14-10)16-
    8-1-4-13-5-2-8/h3,6-8,13H
    ,1-2,4-5H2,(H2,12,15);
    NMMFHPWVBDVMFL-UHFFFAOYSA-N    		 NC(=O)c1cc(OC2CCNCC2)ccn1; c1cnc(cc1OC2C
    CNCC2)C(=O)N    		 4-piperidin-4-yloxypyridine-2-carboxamide
    19942
    FI6
    CHEMBL397983
    ZINC000003842037    		 1 C32 H28 F3 N5 O4 InChI=1S/C32H28F3N5O4/c1-
    3-43-25-14-10-24(11-15-25
    )40-30(38-29-27(31(40)42)
    7-5-17-37-29)21(2)39(20-2
    3-6-4-16-36-19-23)28(41)1
    8-22-8-12-26(13-9-22)44-3
    2(33,34)35/h4-17,19,21H,3
    ,18,20H2,1-2H3/t21-/m1/s1;
    WQTKNBPCJKRYPA-OAQYLSRUSA-N    		 CCOc1ccc(cc1)N2C(=O)c3cccnc3N=C2[CH](C)N
    (Cc4cccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5; CC
    Oc1ccc(cc1)N2C(=O)c3cccnc3N=C2C(C)N(Cc4c
    ccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F; CCOc1cc
    c(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4c
    ccnc4)C(=O)Cc5ccc(OC(F)(F)F)cc5; CCOc1cc
    c(cc1)N2C(=O)c3cccnc3N=C2[C@@H](C)N(Cc4c
    ccnc4)C(=O)Cc5ccc(cc5)OC(F)(F)F    		 N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxidanylidene-pyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethyloxy)phenyl]ethanamide;
    (+/-)-AMG 487
    19943
    FI7
    CHEMBL1086657
    ZINC000034853422    		 7 C19 H22 N4 O5 InChI=1S/C19H22N4O5/c1-19
    (2,18(27)21-13-6-4-3-5-12
    (13)17(25)26)9-15-22-16(2
    3-28-15)14-8-7-11(24)10-2
    0-14/h7-8,10,24H,3-6,9H2,
    1-2H3,(H,21,27)(H,25,26);
    CJHXBFSJXDUJHP-UHFFFAOYSA-N    		 CC(C)(Cc1onc(n1)c2ccc(O)cn2)C(=O)NC3=C(C
    CCC3)C(O)=O; CC(C)(Cc1nc(no1)c2ccc(cn2)O
    )C(=O)NC3=C(CCCC3)C(=O)O    		 2-[[2,2-dimethyl-3-[3-(5-oxidanylpyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoyl]amino]cyclohexene-1-carboxylic acid
    19944
    FI8
    CHEMBL1255800
    DB08874    		 10 C52 H74 Cl2 O18 InChI=1S/C52H74Cl2O18/c1-
    13-30-22-26(6)33(56)18-16
    -15-17-31(23-66-51-45(65-
    12)42(61)44(29(9)67-51)69
    -49(64)35-32(14-2)36(53)3
    9(58)37(54)38(35)57)48(63
    )68-34(28(8)55)20-19-25(5
    )21-27(7)43(30)70-50-41(6
    0)40(59)46(52(10,11)72-50
    )71-47(62)24(3)4/h15-17,1
    9,21-22,24,28-30,33-34,40
    -46,50-51,55-61H,13-14,18
    ,20,23H2,1-12H3/b16-15+,2
    5-19+,26-22+,27-21+,31-17
    +/t28-,29-,30+,33+,34+,40
    -,41+,42+,43+,44-,45+,46+
    ,50-,51-/m1/s1;
    ZVGNESXIJDCBKN-UUEYKCAUSA-N    		 CCc1c(c(c(c(c1Cl)O)Cl)O)C(=O)O[C@@H]2[C@
    H](O[C@H]([C@H]([C@H]2O)OC)OC/C/3=C\C=C\
    C[C@@H](/C(=C/[C@@H]([C@H](/C(=C/C(=C/C[
    C@H](OC3=O)[C@@H](C)O)/C)/C)O[C@H]4[C@H]
    ([C@H]([C@@H](C(O4)(C)C)OC(=O)C(C)C)O)O)
    CC)/C)O)C; CC[C@H]1\C=C(/C)[C@@H](O)C\C=
    C\C=C(/CO[C@@H]2O[C@H](C)[C@@H](OC(=O)c3
    c(O)c(Cl)c(O)c(Cl)c3CC)[C@H](O)[C@@H]2OC
    )C(=O)O[C@@H](C/C=C(C)/C=C(C)/[C@@H]1O[C
    @@H]4OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)
    [C@@H]4O)[C@@H](C)O; CCc1c(c(c(c(c1Cl)O)
    Cl)O)C(=O)OC2C(OC(C(C2O)OC)OCC3=CC=CCC(C
    (=CC(C(C(=CC(=CCC(OC3=O)C(C)O)C)C)OC4C(C
    (C(C(O4)(C)C)OC(=O)C(C)C)O)O)CC)C)O)C; C
    C[CH]1C=C(C)[CH](O)CC=CC=C(CO[CH]2O[CH](
    C)[CH](OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)[C
    H](O)[CH]2OC)C(=O)O[CH](CC=C(C)C=C(C)[CH
    ]1O[CH]4OC(C)(C)[CH](OC(=O)C(C)C)[CH](O)
    [CH]4O)[CH](C)O    		 Fidaxomicin
    19945
    FI9
    CHEMBL5203226
    ZINC000036753452    		 1 C11 H15 N3 O2 InChI=1S/C11H15N3O2/c12-9
    -3-5-14(6-4-9)11(16)8-1-2
    -10(15)13-7-8/h1-2,7,9H,3
    -6,12H2,(H,13,15);
    PBJCAAQZCVURJN-UHFFFAOYSA-N    		 NC1CCN(CC1)C(=O)C2=CNC(=O)C=C2; C1CN(CCC
    1N)C(=O)C2=CNC(=O)C=C2    		 5-(4-azanylpiperidin-1-yl)carbonyl-1~{H}-pyridin-2-one
    19946
    FIB    		 0 C6 F5 I InChI=1/C6F5I/c7-1-2(8)4(
    10)6(12)5(11)3(1)9;
    OPYHNLNYCRZOGY-UHFFFAOYAM    		 Fc1c(F)c(F)c(F)c(I)c1F; c1(c(c(c(c(c1F)F
    )I)F)F)F; Fc1c(F)c(F)c(I)c(F)c1F    		 1,2,3,4,5-pentafluoro-6-iodobenzene
    19947
    FIC
    CHEMBL23507
    ZINC000000083028    		 7 C9 H6 F N O2 InChI=1S/C9H6FNO2/c10-6-1
    -2-7-5(3-6)4-8(11-7)9(12)
    13/h1-4,11H,(H,12,13);
    WTXBRZCVLDTWLP-UHFFFAOYSA-N    		 c1cc2c(cc1F)cc([nH]2)C(=O)O; OC(=O)c1[nH
    ]c2ccc(F)cc2c1; Fc1cc2c(cc1)nc(c2)C(=O)O    		 5-fluoroindole-2-carboxylic acid
    19948
    FID
    CHEMBL84446
    DB02021
    ZINC000003789766    		 12 C12 H10 F N3 O4 InChI=1S/C12H10FN3O4/c13-
    5-1-2-7-6(3-5)12(4-8(20-7
    )9(14)17)10(18)15-11(19)1
    6-12/h1-3,8H,4H2,(H2,14,1
    7)(H2,15,16,18,19)/t8-,12
    -/m0/s1;
    WAAPEIZFCHNLKK-UFBFGSQYSA-N    		 Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3;
    c1cc2c(cc1F)[C@@]3(C[C@H](O2)C(=O)N)C(=
    O)NC(=O)N3; c1cc2c(cc1F)C3(CC(O2)C(=O)N)
    C(=O)NC(=O)N3; NC(=O)[CH]1C[C]2(NC(=O)NC
    2=O)c3cc(F)ccc3O1; NC(=O)[C@@H]1C[C@]2(N
    C(=O)NC2=O)c3cc(F)ccc3O1    		 (2S,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE;
    FIDARESTAT
    19949
    FIE    		 2 C24 H22 Cl F N4 O3 S InChI=1S/C24H22ClFN4O3S/c
    25-21-13-19(28-34(26,32)3
    0-14-18-7-4-10-27-22(18)1
    5-30)8-9-20(21)24(31)29-1
    1-12-33-23(16-29)17-5-2-1
    -3-6-17/h1-10,13,23H,11-1
    2,14-16H2/t23-,34-/m1/s1;
    PGHSSRGHLFIKLE-GRMGDBHTSA-N    		 c1ccc(cc1)[C@H]2CN(CCO2)C(=O)c3ccc(cc3Cl
    )N=[S@@](=O)(N4Cc5cccnc5C4)F; F[S](=O)(=
    Nc1ccc(c(Cl)c1)C(=O)N2CCO[CH](C2)c3ccccc
    3)N4Cc5cccnc5C4; F[S@@](=O)(=Nc1ccc(c(Cl
    )c1)C(=O)N2CCO[C@H](C2)c3ccccc3)N4Cc5ccc
    nc5C4; O=C(N1CC(OCC1)c1ccccc1)c1ccc(N=S(
    F)(=O)N2Cc3cccnc3C2)cc1Cl; c1ccc(cc1)C2C
    N(CCO2)C(=O)c3ccc(cc3Cl)N=S(=O)(N4Cc5ccc
    nc5C4)F    		 (S~6~S)-N-{3-chloro-4-[(2S)-2-phenylmorpholine-4-carbonyl]phenyl}-5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-sulfonimidoyl fluoride
    19950
    FIF
    ZINC000095921357    		 2 C6 H9 F O5 InChI=1S/C6H9FO5/c7-2-1-1
    2-5(6(10)11)4(9)3(2)8/h2-
    5,8-9H,1H2,(H,10,11)/t2-,
    3+,4-,5+/m0/s1;
    KRAJNEOUENOZDR-SKNVOMKLSA-N    		 O[CH]1[CH](F)CO[CH]([CH]1O)C(O)=O; FC1C(
    O)C(O)C(OC1)C(=O)O; O[C@@H]1[C@@H](F)CO[
    C@H]([C@H]1O)C(O)=O; C1C(C(C(C(O1)C(=O)O
    )O)O)F; C1[C@@H]([C@H]([C@@H]([C@@H](O1)
    C(=O)O)O)O)F    		 2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid;
    2-deoxy-2-fluoro-alpha-L-idopyranuronosyl fluoride, bound form
    19951
    FIG
    CHEMBL5081435    		 1 C13 H10 N2 O4 S InChI=1S/C13H10N2O4S/c16-
    10(8-4-2-1-3-5-8)7-20-13-
    14-6-9(12(18)19)11(17)15-
    13/h1-6H,7H2,(H,18,19)(H,
    14,15,17);
    NAHGGWKCMVAKPT-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)CSC2=NC=C(C(=O)N2)C(=O)O;
    C(SC1=NC=C(C(O)=O)C(N1)=O)C(=O)c2ccccc2
    ; OC(=O)C1=CN=C(NC1=O)SCC(=O)c2ccccc2    		 6-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-1,6-dihydropyrimidine-5-carboxylic acid
    19952
    FIH
    DB07770
    ZINC000016051917    		 2 C18 H14 F N O4 S2 InChI=1S/C18H14FNO4S2/c1-
    11-2-8-14(9-3-11)26(23,24
    )20-15-10-16(25-17(15)18(
    21)22)12-4-6-13(19)7-5-12
    /h2-10,20H,1H3,(H,21,22);
    DJPFUQBNQLKCAB-UHFFFAOYSA-N    		 Cc1ccc(cc1)[S](=O)(=O)Nc2cc(sc2C(O)=O)c3
    ccc(F)cc3; Cc1ccc(cc1)S(=O)(=O)Nc2cc(sc2
    C(=O)O)c3ccc(cc3)F; O=C(O)c2sc(cc2NS(=O)
    (=O)c1ccc(cc1)C)c3ccc(F)cc3    		 5-(4-FLUOROPHENYL)-3-{[(4-METHYLPHENYL)SULFONYL]AMINO}THIOPHENE-2-CARBOXYLIC ACID;
    5-(4-FLUOROPHENYL)-3-(TOSYLAMINO)THIOPHENE-2-CARBOXYLIC ACI
    19953
    FII
    DB07771
    ZINC000002046984    		 15 C17 H30 N O5 P InChI=1S/C17H30NO5P/c1-14
    (2)7-5-8-15(3)9-6-10-16(4
    )11-12-23-18-17(19)13-24(
    20,21)22/h7,9,11H,5-6,8,1
    0,12-13H2,1-4H3,(H,18,19)
    (H2,20,21,22)/b15-9+,16-1
    1+;
    JAOBYUCYSAOLHS-XGGJEREUSA-N    		 O=C(NOC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C)CP(
    =O)(O)O; CC(=CCCC(=CCCC(=CCONC(=O)CP(=O)
    (O)O)C)C)C; CC(=CCC/C(=C/CC/C(=C/CONC(=O
    )CP(=O)(O)O)/C)/C)C; CC(C)=CCC\C(C)=C\CC
    \C(C)=C\CONC(=O)C[P](O)(O)=O; CC(C)=CCCC
    (C)=CCCC(C)=CCONC(=O)C[P](O)(O)=O    		 [(3,7,11-TRIMETHYL-DODECA-2,6,10-TRIENYLOXYCARBAMOYL)-METHYL]-PHOSPHONIC ACID;
    FPP ANALOG
    19954
    FIJ
    ZINC000001440847    		 1 C18 H18 Cl2 O4 InChI=1S/C18H18Cl2O4/c1-1
    7(2)8-18(3,9-4-11(19)14(2
    2)6-13(9)21)24-16-7-15(23
    )12(20)5-10(16)17/h4-7,21
    -23H,8H2,1-3H3/t18-/m0/s1;
    VSHLILKLIDPGCI-SFHVURJKSA-N    		 CC1(CC(Oc2c1cc(c(c2)O)Cl)(C)c3cc(c(cc3O)
    O)Cl)C; CC1(C)C[C@](C)(Oc2cc(O)c(Cl)cc12
    )c3cc(Cl)c(O)cc3O; C[C@]1(CC(c2cc(c(cc2O
    1)O)Cl)(C)C)c3cc(c(cc3O)O)Cl; CC1(C)C[C]
    (C)(Oc2cc(O)c(Cl)cc12)c3cc(Cl)c(O)cc3O    		 4-chloranyl-6-[(2~{S})-6-chloranyl-2,4,4-trimethyl-7-oxidanyl-3~{H}-chromen-2-yl]benzene-1,3-diol
    19955
    FIK    		 2 C24 H40 N4 O9 S InChI=1S/C24H40N4O9S/c1-1
    3(2)7-17(20(30)26-18(22(3
    2)38(34,35)36)8-15-5-6-25
    -19(15)29)27-23(33)37-16-
    9-24(10-16)11-28(12-24)21
    (31)14(3)4/h13-18,22,32H,
    5-12H2,1-4H3,(H,25,29)(H,
    26,30)(H,27,33)(H,34,35,3
    6)/t15-,17-,18-,22-/m0/s1;
    HTJCLKWRDFEDBR-JVGYHMDPSA-N    		 O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(
    =O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1; CC(C
    )C[C@H](NC(=O)OC1CC2(C1)CN(C2)C(=O)C(C)C
    )C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H](O)[
    S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)
    C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=
    O)C(C)C; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@
    H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OC2
    CC3(C2)CN(C3)C(=O)C(C)C; CC(C)C[CH](NC(=
    O)OC1CC2(C1)CN(C2)C(=O)C(C)C)C(=O)N[CH](
    C[CH]3CCNC3=O)[CH](O)[S](O)(=O)=O    		 (1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    19956
    FIL
    CHEMBL590754
    DB02660
    ZINC000000000308    		 2 C15 H20 N2 O4 InChI=1S/C15H20N2O4/c1-10
    (17-21-15(16)18)11-7-8-13
    (19-2)14(9-11)20-12-5-3-4
    -6-12/h7-9,12H,3-6H2,1-2H
    3,(H2,16,18)/b17-10+;
    STTRYQAGHGJXJJ-LICLKQGHSA-N    		 CC(=NOC(=O)N)c1ccc(c(c1)OC2CCCC2)OC; COc
    1ccc(cc1OC2CCCC2)C(C)=NOC(N)=O; C/C(=N\O
    C(=O)N)/c1ccc(c(c1)OC2CCCC2)OC; COc1ccc(
    cc1OC2CCCC2)C(/C)=N/OC(N)=O    		 (1E)-1-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]ETHANONE O-(AMINOCARBONYL)OXIME;
    FILAMINAST
    19957
    FIN
    CHEMBL202932
    DB07772
    ZINC000013680267    		 1 C17 H22 N O6 P S InChI=1S/C17H22NO6PS/c1-1
    2(2)17(25(19,20)21)18-26(
    22,23)16-10-6-14(7-11-16)
    13-4-8-15(24-3)9-5-13/h4-
    12,17-18H,1-3H3,(H2,19,20
    ,21)/t17-/m1/s1;
    BZVYQWLRCHLAGK-QGZVFWFLSA-N    		 CC(C)C(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)
    P(=O)(O)O; CC(C)[C@H](NS(=O)(=O)c1ccc(cc
    1)c2ccc(cc2)OC)P(=O)(O)O; O=P(O)(O)C(NS(
    =O)(=O)c2ccc(c1ccc(OC)cc1)cc2)C(C)C; COc
    1ccc(cc1)c2ccc(cc2)[S](=O)(=O)N[CH](C(C)
    C)[P](O)(O)=O; COc1ccc(cc1)c2ccc(cc2)[S]
    (=O)(=O)N[C@@H](C(C)C)[P](O)(O)=O    		 (1R)-1-{[(4'-METHOXY-1,1'-BIPHENYL-4-YL)SULFONYL]AMINO}-2-METHYLPROPYLPHOSPHONIC ACID
    19958
    FIO
    ZINC000098208887    		 0 C7 H14 F N3 O2 InChI=1S/C7H14FN3O2/c8-4-
    6(10)11-3-1-2-5(9)7(12)13
    /h5H,1-4,9H2,(H2,10,11)(H
    ,12,13)/t5-/m0/s1;
    VHLCDEVOVRFHAP-YFKPBYRVSA-N    		 N[C@@H](CCCNC(=N)CF)C(O)=O; C(CC(C(=O)O)
    N)CNC(=N)CF; N[CH](CCCNC(=N)CF)C(O)=O; O
    =C(O)C(N)CCCNC(=[N@H])CF; [H]/N=C(\CF)/N
    CCC[C@@H](C(=O)O)N    		 N~5~-[(1E)-2-fluoroethanimidoyl]-L-ornithine
    19959
    FIP
    CHEMBL1160523
    DB07773
    ZINC000003606158    		 3 C11 H13 F N O4 P InChI=1S/C11H13FNO4P/c12-
    9-3-4-11-10(6-9)8(7-13-11
    )2-1-5-17-18(14,15)16/h3-
    4,6-7,13H,1-2,5H2,(H2,14,
    15,16);
    YVYGGBFCYXRNKM-UHFFFAOYSA-N    		 c1cc2c(cc1F)c(c[nH]2)CCCOP(=O)(O)O; O[P]
    (O)(=O)OCCCc1c[nH]c2ccc(F)cc12; Fc1cc2c(
    cc1)ncc2CCCOP(=O)(O)O    		 5-FLUOROINDOLE PROPANOL PHOSPHATE
    19960
    FIQ
    CHEMBL5201513
    ZINC000166594261    		 2 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c1-10-
    7(11)4-6(5-2-3-5)9-8(10)1
    2/h4-5H,2-3H2,1H3,(H,9,12
    );
    SJCKLNPJUZKFGN-UHFFFAOYSA-N    		 CN1C(=O)C=C(NC1=O)C2CC2; CN1C(=O)NC(=CC1
    =O)C2CC2    		 6-cyclopropyl-3-methyl-1H-pyrimidine-2,4-dione
    19961
    FIR
    CHEMBL84060
    ZINC000000005704    		 1 C12 H10 F N3 O4 InChI=1S/C12H10FN3O4/c13-
    5-1-2-7-6(3-5)12(4-8(20-7
    )9(14)17)10(18)15-11(19)1
    6-12/h1-3,8H,4H2,(H2,14,1
    7)(H2,15,16,18,19)/t8-,12
    +/m1/s1;
    WAAPEIZFCHNLKK-PELKAZGASA-N    		 Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3;
    c1cc2c(cc1F)[C@@]3(C[C@@H](O2)C(=O)N)C(
    =O)NC(=O)N3; NC(=O)[C@H]1C[C@]2(NC(=O)NC
    2=O)c3cc(F)ccc3O1; c1cc2c(cc1F)C3(CC(O2)
    C(=O)N)C(=O)NC(=O)N3; NC(=O)[CH]1C[C]2(N
    C(=O)NC2=O)c3cc(F)ccc3O1    		 (2R,4S)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE;
    FIDARESTAT(STEREOISOMER)
    19962
    FIS
    CHEMBL189464
    DB02101
    ZINC000000002486    		 0 C12 H10 F N3 O4 InChI=1S/C12H10FN3O4/c13-
    5-1-2-7-6(3-5)12(4-8(20-7
    )9(14)17)10(18)15-11(19)1
    6-12/h1-3,8H,4H2,(H2,14,1
    7)(H2,15,16,18,19)/t8-,12
    +/m0/s1;
    WAAPEIZFCHNLKK-QPUJVOFHSA-N    		 Fc3ccc2OC(C(=O)N)CC1(C(=O)NC(=O)N1)c2c3;
    c1cc2c(cc1F)[C@]3(C[C@H](O2)C(=O)N)C(=O
    )NC(=O)N3; NC(=O)[C@@H]1C[C@@]2(NC(=O)NC
    2=O)c3cc(F)ccc3O1; c1cc2c(cc1F)C3(CC(O2)
    C(=O)N)C(=O)NC(=O)N3; NC(=O)[CH]1C[C]2(N
    C(=O)NC2=O)c3cc(F)ccc3O1    		 (2S,4R)-2-AMINOFORMYL-6-FLUORO-SPIRO[CHROMAN-4,4'-IMIDAZOLIDINE]-2',5'-DIONE;
    FIDARESTAT(STEREOISOMER)
    19963
    FIT
    CHEMBL710
    DB01216
    ZINC000003782599    		 1 C23 H36 N2 O2 InChI=1S/C23H36N2O2/c1-21
    (2,3)25-20(27)17-8-7-15-1
    4-6-9-18-23(5,13-11-19(26
    )24-18)16(14)10-12-22(15,
    17)4/h11,13-18H,6-10,12H2
    ,1-5H3,(H,24,26)(H,25,27)
    /t14-,15-,16-,17+,18+,22-
    ,23+/m0/s1;
    DBEPLOCGEIEOCV-WSBQPABSSA-N    		 CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC
    (=O)C=C[C]4(C)[CH]3CC[C]12C; O=C(NC(C)(C
    )C)C2C1(CCC3C(C1CC2)CCC4NC(=O)C=CC34C)C;
    CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C
    =CC(=O)N4)C; C[C@]12CC[C@H]3[C@H]([C@@H]
    1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3
    (C=CC(=O)N4)C; CC(C)(C)NC(=O)[C@H]1CC[C@
    H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]
    3CC[C@]12C    		 (4aR,4bS,6aS,7S,9aS,9bS,11aR)-N-tert-butyl-4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide;
    FINASTERIDE
    19964
    FIV
    CHEMBL114648
    ZINC000000391805    		 7 C11 H8 O2 InChI=1S/C11H8O2/c12-11(1
    3)10-6-5-8-3-1-2-4-9(8)7-
    10/h1-7H,(H,12,13);
    UOBYKYZJUGYBDK-UHFFFAOYSA-N    		 O=C(O)c2ccc1c(cccc1)c2; c1ccc2cc(ccc2c1)
    C(=O)O; OC(=O)c1ccc2ccccc2c1    		 naphthalene-2-carboxylic acid;
    2-naphthoic acid
    19965
    FIW    		 2 C24 H40 N4 O9 S InChI=1S/C24H40N4O9S/c1-1
    3(2)7-17(20(30)26-18(22(3
    2)38(34,35)36)8-15-5-6-25
    -19(15)29)27-23(33)37-16-
    9-24(10-16)11-28(12-24)21
    (31)14(3)4/h13-18,22,32H,
    5-12H2,1-4H3,(H,25,29)(H,
    26,30)(H,27,33)(H,34,35,3
    6)/t15-,17-,18-,22+/m0/s1;
    HTJCLKWRDFEDBR-ABXWHYIOSA-N    		 O=C(C(C)C)N1CC2(CC(C2)OC(=O)NC(CC(C)C)C(
    =O)NC(CC2CCNC2=O)C(O)S(=O)(=O)O)C1; CC(C
    )CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O)NC
    (=O)OC2CC3(C2)CN(C3)C(=O)C(C)C; CC(C)C[C
    @@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](
    O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CN(C3)C(=O)
    C(C)C; CC(C)C[CH](NC(=O)OC1CC2(C1)CN(C2)
    C(=O)C(C)C)C(=O)N[CH](C[CH]3CCNC3=O)[CH]
    (O)[S](O)(=O)=O; CC(C)C[C@H](NC(=O)OC1CC
    2(C1)CN(C2)C(=O)C(C)C)C(=O)N[C@@H](C[C@@
    H]3CCNC3=O)[C@H](O)[S](O)(=O)=O    		 (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    19966
    FIX
    ZINC000103541511    		 3 C6 H8 O7 InChI=1S/C6H8O7/c7-1-2(8)
    3(9)4(10)5(11)6(12)13/h1,
    3-5,9-11H,(H,12,13)/t3-,4
    +,5+/m1/s1;
    VLFFNIKCNGLGIG-WISUUJSJSA-N    		 C(=O)C(=O)C(C(C(C(=O)O)O)O)O; O[C@H]([C@
    H](O)C(O)=O)[C@H](O)C(=O)C=O; O=C(O)C(O)
    C(O)C(O)C(=O)C=O; C(=O)C(=O)[C@H]([C@@H]
    ([C@@H](C(=O)O)O)O)O; O[CH]([CH](O)C(O)=
    O)[CH](O)C(=O)C=O    		 D-fructuronic acid;
    D-Fructuronate
    19967
    FIY
    CHEMBL5195335
    ZINC000049078853    		 1 C13 H17 N5 O S InChI=1S/C13H17N5OS/c1-4-
    8-10(7(3)19)6(2)16-11(8)9
    -5-20-13(17-9)18-12(14)15
    /h5,16H,4H2,1-3H3,(H4,14,
    15,17,18);
    RMIIUQZUCWLAPV-UHFFFAOYSA-N    		 CCc1c(c([nH]c1c2csc(n2)N=C(N)N)C)C(=O)C;
    CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2    		 2-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]guanidine
    19968
    FIZ    		 2 C22 H25 Cl2 N5 O2 InChI=1S/C22H25Cl2N5O2/c1
    -13-19(25)22(12-31-13)7-1
    0-28(11-8-22)21-26-29-9-6
    -15(18(29)20(30)27(21)2)1
    4-4-3-5-16(23)17(14)24/h3
    -6,9,13,19H,7-8,10-12,25H
    2,1-2H3/t13-,19-/m0/s1;
    CRDRKYXRTQUBHK-DJJJIMSYSA-N    		 C[C@H]1[C@@H](C2(CCN(CC2)C3=Nn4ccc(c4C(=
    O)N3C)c5cccc(c5Cl)Cl)CO1)N; C[C@@H]1OCC2
    (CCN(CC2)C3=Nn4ccc(c5cccc(Cl)c5Cl)c4C(=O
    )N3C)[C@H]1N; CC1C(C2(CCN(CC2)C3=Nn4ccc(
    c4C(=O)N3C)c5cccc(c5Cl)Cl)CO1)N; C[CH]1O
    CC2(CCN(CC2)C3=Nn4ccc(c5cccc(Cl)c5Cl)c4C
    (=O)N3C)[CH]1N    		 2-[(3S,4R)-4-azanyl-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-5-[2,3-bis(chloranyl)phenyl]-3-methyl-pyrrolo[2,1-f][1,2,4]triazin-4-one
    19969
    FJ0
    CHEMBL4783351
    DB18060    		 4 C24 H25 N7 O5 InChI=1S/C24H25N7O5/c1-14
    -10-15(2-4-25-14)23-27-18
    (13-35-23)22(33)26-17-11-
    19-20(28-21(17)31-5-3-16(
    32)12-31)29-24(36-19)30-6
    -8-34-9-7-30/h2,4,10-11,1
    3,16,32H,3,5-9,12H2,1H3,(
    H,26,33)/t16-/m1/s1;
    SJHNWSAWWOAWJH-MRXNPFEDSA-N    		 Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc(nc4nc3
    N5CC[CH](O)C5)N6CCOCC6; Cc1cc(ccn1)c2nc(
    co2)C(=O)Nc3cc4c(nc3N5CCC(C5)O)nc(o4)N6C
    COCC6; Cc1cc(ccn1)c2occ(n2)C(=O)Nc3cc4oc
    (nc4nc3N5CC[C@@H](O)C5)N6CCOCC6; Cc1cc(c
    cn1)c2nc(co2)C(=O)Nc3cc4c(nc3N5CC[C@H](C
    5)O)nc(o4)N6CCOCC6    		 2-(2-methylpyridin-4-yl)-N-[2-morpholin-4-yl-5-[(3R)-3-oxidanylpyrrolidin-1-yl]-[1,3]oxazolo[4,5-b]pyridin-6-yl]-1,3-oxazole-4-carboxamide
    19970
    FJ1
    ZINC000052507720    		 1 C10 H11 F3 N2 O InChI=1S/C10H11F3N2O/c1-9
    (2)3-5-7(6(16)4-9)8(15-14
    -5)10(11,12)13/h3-4H2,1-2
    H3,(H,14,15);
    OFQAFLDKWBQAJI-UHFFFAOYSA-N    		 CC1(Cc2c(c(n[nH]2)C(F)(F)F)C(=O)C1)C; CC
    1(C)CC(=O)c2c(C1)[nH]nc2C(F)(F)F; FC(F)(
    F)c2nnc1c2C(=O)CC(C1)(C)C    		 6,6-dimethyl-3-(trifluoromethyl)-1,5,6,7-tetrahydro-4H-indazol-4-one
    19971
    FJ2
    CHEMBL3342581
    ZINC000098208888    		 1 C18 H15 Cl N2 O5 InChI=1S/C18H15ClN2O5/c1-
    9(22)20-18-16(10-3-5-11(2
    5-2)6-4-10)17(21-26-18)12
    -7-13(19)15(24)8-14(12)23
    /h3-8,23-24H,1-2H3,(H,20,
    22);
    ZPXWZHXHEMSPJU-UHFFFAOYSA-N    		 CC(=O)Nc1c(c(no1)c2cc(c(cc2O)O)Cl)c3ccc(
    cc3)OC; COc1ccc(cc1)c2c(NC(C)=O)onc2c3cc
    (Cl)c(O)cc3O; Clc3c(O)cc(O)c(c1noc(c1c2c
    cc(OC)cc2)NC(=O)C)c3    		 N-[3-(5-chloro-2,4-dihydroxyphenyl)-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
    19972
    FJ3
    ZINC000103541527    		 1 C12 H14 N2 O3 InChI=1S/C12H14N2O3/c1-6(
    2)7-3-8(11(16)5-10(7)15)9
    -4-12(13)17-14-9/h3-6,15-
    16H,13H2,1-2H3;
    OMMLTOZTUCUOCZ-UHFFFAOYSA-N    		 CC(C)c1cc(c(cc1O)O)c2cc(on2)N; CC(C)c1cc
    (c(O)cc1O)c2cc(N)on2; n1oc(cc1c2c(O)cc(O
    )c(c2)C(C)C)N    		 4-(5-amino-1,2-oxazol-3-yl)-6-(propan-2-yl)benzene-1,3-diol
    19973
    FJ4
    ZINC000034442025    		 1 C15 H13 Cl O4 InChI=1S/C15H13ClO4/c1-20
    -10-4-2-9(3-5-10)6-13(17)
    11-7-12(16)15(19)8-14(11)
    18/h2-5,7-8,18-19H,6H2,1H
    3;
    JBCBFFFUINBPCU-UHFFFAOYSA-N    		 COc1ccc(CC(=O)c2cc(Cl)c(O)cc2O)cc1; COc1
    ccc(cc1)CC(=O)c2cc(c(cc2O)O)Cl; Clc1cc(c
    (O)cc1O)C(=O)Cc2ccc(OC)cc2    		 1-(5-chloro-2,4-dihydroxyphenyl)-2-(4-methoxyphenyl)ethanone
    19974
    FJ5
    CHEMBL3342720
    ZINC000098208890    		 1 C27 H31 N3 O5 InChI=1S/C27H31N3O5/c1-16
    (2)20-13-21(23(32)14-22(2
    0)31)25-24(27(35-29-25)28
    -26(33)19-7-8-19)18-5-3-1
    7(4-6-18)15-30-9-11-34-12
    -10-30/h3-6,13-14,16,19,3
    1-32H,7-12,15H2,1-2H3,(H,
    28,33);
    HCEPAGMKRSAQJJ-UHFFFAOYSA-N    		 CC(C)c1cc(c(cc1O)O)c2c(c(on2)NC(=O)C3CC3
    )c4ccc(cc4)CN5CCOCC5; CC(C)c1cc(c(O)cc1O
    )c2noc(NC(=O)C3CC3)c2c4ccc(CN5CCOCC5)cc4
    ; O=C(Nc2onc(c1c(O)cc(O)c(c1)C(C)C)c2c3c
    cc(cc3)CN4CCOCC4)C5CC5    		 N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazol-5-yl}cyclopropanecarboxamide
    19975
    FJ6
    CHEMBL3342597
    ZINC000098208891    		 1 C23 H24 N2 O5 InChI=1S/C23H24N2O5/c1-12
    (2)16-10-17(19(27)11-18(1
    6)26)21-20(13-6-8-15(29-3
    )9-7-13)23(30-25-21)24-22
    (28)14-4-5-14/h6-12,14,26
    -27H,4-5H2,1-3H3,(H,24,28
    );
    AVNWJTBEPNSVIJ-UHFFFAOYSA-N    		 O=C(Nc2onc(c1c(O)cc(O)c(c1)C(C)C)c2c3ccc
    (OC)cc3)C4CC4; CC(C)c1cc(c(cc1O)O)c2c(c(
    on2)NC(=O)C3CC3)c4ccc(cc4)OC; COc1ccc(cc
    1)c2c(NC(=O)C3CC3)onc2c4cc(C(C)C)c(O)cc4
    O    		 N-{3-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
    19976
    FJ7
    ZINC000057316926    		 1 C30 H31 F N4 O3 InChI=1S/C30H31FN4O3/c1-3
    8-27-11-10-19(16-20(27)18
    -34-12-14-35(15-13-34)26-
    9-5-3-7-23(26)31)28-29-22
    (17-25(33-28)30(36)37)21-
    6-2-4-8-24(21)32-29/h2-11
    ,16,25,28,32-33H,12-15,17
    -18H2,1H3,(H,36,37)/t25-,
    28+/m1/s1;
    FUHCEERDBRGPQZ-NAKRPHOHSA-N    		 COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)C4c5c(c6
    ccccc6[nH]5)CC(N4)C(=O)O; COc1ccc(cc1CN2
    CCN(CC2)c3ccccc3F)[C@H]4c5c(c6ccccc6[nH]
    5)C[C@@H](N4)C(=O)O; COc1ccc(cc1CN2CCN(C
    C2)c3ccccc3F)[C@@H]4N[C@H](Cc5c4[nH]c6cc
    ccc56)C(O)=O; c1cccc(c1N2CCN(CC2)Cc3c(OC
    )ccc(c3)C6c5c(c4ccccc4n5)CC(N6)C(=O)O)F;
    COc1ccc(cc1CN2CCN(CC2)c3ccccc3F)[CH]4N[
    CH](Cc5c4[nH]c6ccccc56)C(O)=O    		 (1S,3R)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid
    19977
    FJ8    		 2 C11 H12 N6 O InChI=1S/C11H12N6O/c1-8-2
    -4-9(5-3-8)7-12-15-11(18)
    6-10-13-16-17-14-10/h2-5,
    7H,6H2,1H3,(H,15,18)(H,13
    ,14,16,17)/b12-7+;
    CVRGHXWTBXFGAR-KPKJPENVSA-N    		 Cc1ccc(cc1)C=NNC(=O)Cc2n[nH]nn2; Cc1ccc(
    cc1)/C=N/NC(=O)Cc2n[nH]nn2    		 ~{N}-[(~{E})-(4-methylphenyl)methylideneamino]-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanamide
    19978
    FJ9
    CHEMBL4789126    		 4 C22 H19 N5 O3 InChI=1S/C22H19N5O3/c28-2
    1(19-3-1-2-17(25-19)15-6-
    8-23-9-7-15)24-16-4-5-18-
    20(14-16)30-22(26-18)27-1
    0-12-29-13-11-27/h1-9,14H
    ,10-13H2,(H,24,28);
    PAUKYBZPOFBYCW-UHFFFAOYSA-N    		 c1cc(nc(c1)C(=O)Nc2ccc3c(c2)oc(n3)N4CCOC
    C4)c5ccncc5; O=C(Nc1ccc2nc(oc2c1)N3CCOCC
    3)c4cccc(n4)c5ccncc5    		 N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
    19979
    FJA    		 2 C21 H34 O4 InChI=1S/C21H34O4/c1-11(2
    )15-8-17(22)21(4)9-16-13(
    10-25-5)6-7-14(16)12(3)19
    (23)20(24)18(15)21/h9,11-
    14,17,19-20,22-24H,6-8,10
    H2,1-5H3/b16-9-/t12-,13-,
    14+,17+,19-,20-,21+/m1/s1;
    YZZBBYUVOSVRJT-KFPAJSSTSA-N    		 COC[CH]1CC[CH]2[CH](C)[CH](O)[CH](O)C3=C
    (C[CH](O)[C]3(C)C=C12)C(C)C; O(C)CC3C2=C
    C1(C(=C(C(C)C)CC1O)C(O)C(O)C(C2CC3)C)C;
    CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)O)C(C)C)O)
    C)COC; CC1C\2CCC(/C2=C/C3(C(CC(=C3C(C1O)
    O)C(C)C)O)C)COC; COC[C@H]1CC[C@H]\2[C@@H
    ](C)[C@@H](O)[C@H](O)C3=C(C[C@H](O)[C@]3
    (C)\C=C1\2)C(C)C    		 Fusicoccin J aglycone;
    (1S,4R,5R,6R,6aS,9S,9aE,10aR)-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclop enta[a,d][8]annulene-1,4,5-triol
    19980
    FJB    		 1 C14 H20 N7 O2 InChI=1S/C14H19N7O2/c15-1
    7-14(23)12(13-18-20-21-19
    -13)16-11(22)9-5-4-8-10-6
    -2-1-3-7-10/h1-3,6-7,12H,
    4-5,8-9,15H2,(H,16,22)(H,
    17,23)(H,18,19,20,21)/p+1
    /t12-/m1/s1;
    YIHNPEJJALKKOD-GFCCVEGCSA-O    		 c1ccc(cc1)CCCCC(=O)NC(c2n[nH]nn2)C(=O)N[
    NH3+]; c1ccc(cc1)CCCCC(=O)N[C@H](c2n[nH]
    nn2)C(=O)N[NH3+]; [NH3+]NC(=O)[CH](NC(=O
    )CCCCc1ccccc1)c2n[nH]nn2; [NH3+]NC(=O)[C
    @H](NC(=O)CCCCc1ccccc1)c2n[nH]nn2    		 [[(2~{R})-2-(5-phenylpentanoylamino)-2-(2~{H}-1,2,3,4-tetrazol-5-yl)ethanoyl]amino]azanium
    19981
    FJC
    CHEMBL4764751    		 1 C25 H25 F N4 O4 InChI=1S/C25H25FN4O4/c26-
    18-6-3-4-15(10-18)11-21(2
    4(33)28-19(14-31)12-17-8-
    9-27-23(17)32)30-25(34)22
    -13-16-5-1-2-7-20(16)29-2
    2/h1-7,10,13-14,17,19,21,
    29H,8-9,11-12H2,(H,27,32)
    (H,28,33)(H,30,34)/t17-,1
    9-,21-/m0/s1;
    HCRBVFBQANEDDM-CUWPLCDZSA-N    		 Fc1cccc(C[CH](NC(=O)c2[nH]c3ccccc3c2)C(=
    O)N[CH](C[CH]4CCNC4=O)C=O)c1; c1ccc2c(c1
    )cc([nH]2)C(=O)NC(Cc3cccc(c3)F)C(=O)NC(C
    C4CCNC4=O)C=O; c1ccc2c(c1)cc([nH]2)C(=O)
    N[C@@H](Cc3cccc(c3)F)C(=O)N[C@@H](C[C@@H
    ]4CCNC4=O)C=O; Fc1cccc(C[C@H](NC(=O)c2[n
    H]c3ccccc3c2)C(=O)N[C@@H](C[C@@H]4CCNC4=
    O)C=O)c1    		 ~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide
    19982
    FJD
    CHEMBL4283525
    ZINC000095920597    		 1 C22 H28 Cl N4 O3 S InChI=1S/C22H28ClN4O3S/c1
    -27(2,3)11-5-10-26-21(28)
    17-13-6-4-9-25(13)19(18(1
    7)22(26)29)20-24-12-14(30
    -20)15-7-8-16(23)31-15/h7
    -8,12-13,17-19H,4-6,9-11H
    2,1-3H3/q+1/t13-,17-,18-,
    19+/m0/s1;
    AYOZEWNCAPQIAE-ZQEOTTOMSA-N    		 C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H]3CCCN3[
    C@H]([C@H]2C1=O)c4oc(cn4)c5sc(Cl)cc5; C[
    N+](C)(C)CCCN1C(=O)[CH]2[CH]3CCCN3[CH]([
    CH]2C1=O)c4oc(cn4)c5sc(Cl)cc5; C[N+](C)(
    C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)c4ncc(o4)c
    5ccc(s5)Cl; C[N+](C)(C)CCCN1C(=O)[C@H]2[
    C@@H]3CCC[N@@]3[C@H]([C@H]2C1=O)c4ncc(o4
    )c5ccc(s5)Cl    		 3-[(3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-2-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM
    19983
    FJE    		 1 C14 H8 Cl F2 N3 O InChI=1S/C14H8ClF2N3O/c15
    -6-3-7-8(5-20-14(7)19-4-6
    )13(21)11-9(16)1-2-10(18)
    12(11)17/h1-5H,18H2,(H,19
    ,20);
    MVKWDNQCWQPTST-UHFFFAOYSA-N    		 c1cc(c(c(c1N)F)C(=O)c2c[nH]c3c2cc(cn3)Cl
    )F; Nc1ccc(F)c(c1F)C(=O)c2c[nH]c3ncc(Cl)
    cc23    		 [3-azanyl-2,6-bis(fluoranyl)phenyl]-(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)methanone
    19984
    FJF
    CHEMBL3144027
    ZINC000004095788    		 11 C9 H12 N2 O6 InChI=1S/C9H12N2O6/c12-2-
    4-5(13)6(14)7(17-4)3-1-10
    -9(16)11-8(3)15/h1,4-7,12
    -14H,2H2,(H2,10,11,15,16)
    /t4-,5-,6-,7+/m1/s1;
    PTJWIQPHWPFNBW-GBNDHIKLSA-N    		 OC[CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2
    =O; C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)CO)O)O
    ; C1=C(C(=O)NC(=O)N1)[C@H]2[C@@H]([C@@H]
    ([C@H](O2)CO)O)O; OC[C@H]1O[C@H]([C@H](O
    )[C@@H]1O)C2=CNC(=O)NC2=O    		 5-[(2~{S},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-1~{H}-pyrimidine-2,4-dione
    19985
    FJG    		 1 C30 H36 F3 N3 O4 S InChI=1S/C30H36F3N3O4S/c1
    -16(30(31,32)33)34-25(37)
    19-11-18(12-21(13-19)29(2
    )8-9-29)24-23(10-17-6-4-3
    -5-7-17)36-27(41-24)26(38
    )35-22-14-20(15-22)28(39)
    40/h11-13,16-17,20,22H,3-
    10,14-15H2,1-2H3,(H,34,37
    )(H,35,38)(H,39,40)/t16-,
    20-,22-/m1/s1;
    PSFPATVFAWGHAJ-BSLALVQMSA-N    		 C[C@@H](NC(=O)c1cc(cc(c1)C2(C)CC2)c3sc(n
    c3CC4CCCCC4)C(=O)N[C@H]5C[C@@H](C5)C(O)=
    O)C(F)(F)F; CC(C(F)(F)F)NC(=O)c1cc(cc(c1
    )C2(CC2)C)c3c(nc(s3)C(=O)NC4CC(C4)C(=O)O
    )CC5CCCCC5; C[CH](NC(=O)c1cc(cc(c1)C2(C)
    CC2)c3sc(nc3CC4CCCCC4)C(=O)N[CH]5C[CH](C
    5)C(O)=O)C(F)(F)F; C[C@H](C(F)(F)F)NC(=O
    )c1cc(cc(c1)C2(CC2)C)c3c(nc(s3)C(=O)NC4C
    C(C4)C(=O)O)CC5CCCCC5; c2(C1(C)CC1)cc(cc
    (C(NC(C)C(F)(F)F)=O)c2)c4c(nc(C(NC3CC(C3
    )C(O)=O)=O)s4)CC5CCCCC5    		 trans-3-({4-(cyclohexylmethyl)-5-[3-(1-methylcyclopropyl)-5-{[(2R)-1,1,1-trifluoropropan-2-yl]carbamoyl}phenyl]-1,3-thiazole-2-carbonyl}amino)cyclobutane-1-carboxylic acid
    19986
    FJH
    CHEMBL4070633    		 1 C27 H23 N3 O4 InChI=1S/C27H23N3O4/c1-16
    -3-8-21(29-26(31)20-7-10-
    24-25(14-20)34-12-11-33-2
    4)15-23(16)30-27(32)19-6-
    9-22-18(13-19)5-4-17(2)28
    -22/h3-10,13-15H,11-12H2,
    1-2H3,(H,29,31)(H,30,32);
    RZQWMJAOUJLEAM-UHFFFAOYSA-N    		 Cc1ccc(cc1NC(=O)c2ccc3c(c2)ccc(n3)C)NC(=
    O)c4ccc5c(c4)OCCO5; Cc1ccc2cc(ccc2n1)C(=
    O)Nc3cc(NC(=O)c4ccc5OCCOc5c4)ccc3C    		 ~{N}-[5-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)-2-methyl-phenyl]-2-methyl-quinoline-6-carboxamide
    19987
    FJI
    CHEMBL4095093    		 1 C34 H31 F N4 O5 InChI=1S/C34H31FN4O5/c35-
    29-11-9-25(19-30(29)38-34
    (42)22-4-2-1-3-5-22)37-26
    -8-10-27-31(20-26)44-21-2
    4-7-6-23(18-28(24)32(27)4
    0)33(41)36-12-13-39-14-16
    -43-17-15-39/h1-11,18-20,
    37H,12-17,21H2,(H,36,41)(
    H,38,42);
    KZWLZLUTYGMNBM-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)Nc2cc(ccc2F)Nc3ccc4c(c3)O
    Cc5ccc(cc5C4=O)C(=O)NCCN6CCOCC6; Fc1ccc(
    Nc2ccc3C(=O)c4cc(ccc4COc3c2)C(=O)NCCN5CC
    OCC5)cc1NC(=O)c6ccccc6    		 3-[(3-benzamido-4-fluoranyl-phenyl)amino]-~{N}-(2-morpholin-4-ylethyl)-11-oxidanylidene-6~{H}-benzo[c][1]benzoxepine-9-carboxamide
    19988
    FJJ    		 2 C32 H52 N2 O10 InChI=1S/C32H52N2O10/c1-2
    -3-4-5-9-17-27(38)34-23(2
    1-43-32-31(42)30(41)29(40
    )25(20-35)44-32)28(39)24(
    36)16-12-18-26(37)33-19-1
    1-10-15-22-13-7-6-8-14-22
    /h6-8,13-14,19,23-25,28-3
    2,35-36,39-42H,2-5,9-12,1
    5-18,20-21H2,1H3,(H,34,38
    )/b33-19+/t23-,24+,25+,28
    -,29-,30-,31+,32-/m0/s1;
    KBQLDQWXUVXGEJ-XHVGTUSXSA-N    		 CCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C
    @H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CC
    CC(=O)N=CCCCc2ccccc2; C(COC1OC(CO)C(O)C(
    C1O)O)(C(O)C(CCCC(=O)N=[C@H]CCCc2ccccc2)
    O)NC(CCCCCCC)=O; CCCCCCCC(=O)N[C@@H](CO[
    C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O
    )O)[C@@H]([C@@H](CCCC(=O)/N=C/CCCc2ccccc
    2)O)O; CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)
    O)O)O)C(C(CCCC(=O)N=CCCCc2ccccc2)O)O; CC
    CCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O)[
    CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)N=CCC
    Cc2ccccc2    		 (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-[(1E)-4-phenylbutylidene]-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)
    19989
    FJK    		 2 C37 H41 N9 O3 InChI=1S/C37H41N9O3/c47-3
    6-28-10-7-13-31(34(28)32-
    14-5-6-18-46(32)36)41-37(
    48)42-33-20-24(15-16-38-3
    3)22-49-23-25-21-45(44-43
    -25)19-17-39-35-26-8-1-3-
    11-29(26)40-30-12-4-2-9-2
    7(30)35/h1,3,7-8,10-11,13
    ,15-16,20-21,27,30,32,39H
    ,2,4-6,9,12,14,17-19,22-2
    3H2,(H2,38,41,42,48)/t27?
    ,30?,32-/m1/s1;
    UJAHYENXDKLQNE-TXKQGMEVSA-N    		 c1cc2c(c(c1)NC(=O)Nc3cc(ccn3)COCc4cn(nn4
    )CCNC5=C6C=CC=CC6=NC7C5CCCC7)[C@H]8CCCCN
    8C2=O; O=C(Nc1cc(COCc2cn(CCNC3=C4C=CC=CC
    4=N[CH]5CCCC[CH]35)nn2)ccn1)Nc6cccc7C(=O
    )N8CCCC[CH]8c67; c1cc2c(c(c1)NC(=O)Nc3cc
    (ccn3)COCc4cn(nn4)CCNC5=C6C=CC=CC6=NC7C5
    CCCC7)C8CCCCN8C2=O; O=C(Nc1cc(COCc2cn(CC
    NC3=C4C=CC=CC4=N[C@@H]5CCCC[C@H]35)nn2)c
    cn1)Nc6cccc7C(=O)N8CCCC[C@@H]8c67    		 1-[4-[[1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methoxymethyl]pyridin-2-yl]-3-[(10~{b}~{R})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]urea
    19990
    FJL
    ZINC000067915227    		 1 C36 H54 O10 InChI=1S/C36H54O10/c1-31(
    2)21-8-11-36(7)27(34(21,5
    )10-9-22(31)45-29-25(40)2
    3(38)24(39)26(46-29)28(41
    )42)20(37)16-18-19-17-33(
    4,30(43)44)13-12-32(19,3)
    14-15-35(18,36)6/h16,19,2
    1-27,29,38-40H,8-15,17H2,
    1-7H3,(H,41,42)(H,43,44)/
    t19-,21-,22-,23-,24-,25+,
    26-,27+,29+,32+,33-,34-,3
    5+,36+/m0/s1;
    HLDYLAJAWSKPFZ-QDPIGISRSA-N    		 C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@
    ]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)
    C)C)(C)C)O[C@H]6[C@@H]([C@H]([C@@H]([C@H
    ](O6)C(=O)O)O)O)O)C)(C)C(=O)O; CC1(C)[C@
    H](CC[C@@]2(C)[C@H]1CC[C@]3(C)[C@@H]2C(=
    O)C=C4[C@@H]5C[C@](C)(CC[C@]5(C)CC[C@@]3
    4C)C(O)=O)O[C@@H]6O[C@@H]([C@@H](O)[C@H]
    (O)[C@H]6O)C(O)=O; CC1(C2CCC3(C(C2(CCC1O
    C4C(C(C(C(O4)C(=O)O)O)O)O)C)C(=O)C=C5C3(
    CCC6(C5CC(CC6)(C)C(=O)O)C)C)C)C; CC1(C)[
    CH](CC[C]2(C)[CH]1CC[C]3(C)[CH]2C(=O)C=C
    4[CH]5C[C](C)(CC[C]5(C)CC[C]34C)C(O)=O)O
    [CH]6O[CH]([CH](O)[CH](O)[CH]6O)C(O)=O    		 (2~{S},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},4~{a}~{R},6~{a}~{R},6~{b}~{S},8~{a}~{S},11~{S},12~{a}~{R},14~{a}~{R},14~{b}~{S})-11-carboxy-4,4,6~{a},6~{b},8~{a},11,14~{b}-heptamethyl-14-oxidanylidene-2,3,4~{a},5,6,7,8,9,10,12,12~{a},14~{a}-dodecahydro-1~{H}-picen-3-yl]oxy]-3,4,5-tris(oxidanyl)oxane-2-carboxylic acid
    19991
    FJM    		 2 C36 H62 N2 O10 InChI=1S/C36H62N2O10/c1-2
    -3-4-7-14-21-31(42)38-27(
    25-47-36-35(46)34(45)33(4
    4)29(24-39)48-36)32(43)28
    (40)20-16-22-30(41)37-23-
    15-9-6-5-8-11-17-26-18-12
    -10-13-19-26/h10,12-13,18
    -19,27-29,32-36,39-40,43-
    46H,2-9,11,14-17,20-25H2,
    1H3,(H,37,41)(H,38,42)/t2
    7-,28+,29+,32-,33-,34-,35
    +,36-/m0/s1;
    YXTGPCVEWLUAKA-JGTBCGKBSA-N    		 CCCCCCCC(=O)N[CH](CO[CH]1O[CH](CO)[CH](O
    )[CH](O)[CH]1O)[CH](O)[CH](O)CCCC(=O)NCC
    CCCCCCc2ccccc2; CCCCCCCC(=O)N[C@@H](CO[C
    @H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C
    @H](O)[C@H](O)CCCC(=O)NCCCCCCCCc2ccccc2;
    CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)
    C(C(CCCC(=O)NCCCCCCCCc2ccccc2)O)O; CCCCC
    CCC(=O)N[C@@H](CO[C@@H]1[C@@H]([C@H]([C@
    H]([C@H](O1)CO)O)O)O)[C@@H]([C@@H](CCCC(
    =O)NCCCCCCCCc2ccccc2)O)O; C1(O)C(OC(C(C1
    O)O)OCC(C(C(CCCC(=O)NCCCCCCCCc2ccccc2)O)
    O)NC(=O)CCCCCCC)CO    		 (5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(8-phenyloctyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octanamide (non-preferred name)
    19992
    FJN    		 2 C38 H45 N10 O2 InChI=1S/C38H44N10O2/c1-4
    6(23-26-24-47(45-44-26)20
    -18-40-36-27-9-2-4-12-30(
    27)41-31-13-5-3-10-28(31)
    36)22-25-16-17-39-34(21-2
    5)43-38(50)42-32-14-8-11-
    29-35(32)33-15-6-7-19-48(
    33)37(29)49/h2,4,8-9,11-1
    2,14,16-17,21,24,28,31,33
    ,40H,3,5-7,10,13,15,18-20
    ,22-23H2,1H3,(H2,39,42,43
    ,50)/p+1/t28?,31?,33-/m0/
    s1;
    FYSUEOXLAVKQLL-YVNFUZJASA-O    		 C[NH+](Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCC
    [C@H]4c23)c1)Cc5cn(CCNC6=C7C=CC=CC7=N[C@
    @H]8CCCC[C@H]68)nn5; C[NH+](Cc1ccnc(c1)N
    C(=O)Nc2cccc3c2[C@@H]4CCCCN4C3=O)Cc5cn(n
    n5)CCNC6=C7C=CC=CC7=NC8C6CCCC8; C[NH+](C
    c1ccnc(c1)NC(=O)Nc2cccc3c2C4CCCCN4C3=O)C
    c5cn(nn5)CCNC6=C7C=CC=CC7=NC8C6CCCC8; C[
    NH+](Cc1ccnc(NC(=O)Nc2cccc3C(=O)N4CCCC[C
    H]4c23)c1)Cc5cn(CCNC6=C7C=CC=CC7=N[CH]8C
    CCC[CH]68)nn5    		 [1-[2-(1,2,3,4,4~{a},9~{a}-hexahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]methyl-[[2-[[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]carbamoylamino]pyridin-4-yl]methyl]-methyl-azanium
    19993
    FJO    		 3 C3 H8 O4 InChI=1S/C3H8O4/c4-2-1-3(
    5,6)7/h4-7H,1-2H2;
    VQAQNRIKRHUZBR-UHFFFAOYSA-N    		 C(CO)C(O)(O)O; OCCC(O)(O)O propane-1,1,1,3-tetrol
    19994
    FJP    		 2 C15 H27 O4 P InChI=1S/C15H27O4P/c1-13(
    2)7-5-8-14(3)9-6-10-15(4)
    11-12-19-20(16,17)18/h7,9
    ,11H,5-6,8,10,12H2,1-4H3,
    (H2,16,17,18)/b14-9-,15-1
    1+;
    ALEWCKXBHSDCCT-GNESMGCMSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(O)=O; CC
    (C)=CCCC(\C)=C/CCC(/C)=C/CO[P](O)(O)=O;
    O=P(OC/C=C(/CC/C=C(/C)CC\C=C(/C)C)C)(O)O
    ; CC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C; CC
    (=CCC/C(=C\CC/C(=C/COP(=O)(O)O)/C)/C)C    		 (2E,6Z)-3,7,11-trimethyldodeca-2,6,10-trien-1-yl dihydrogen phosphate
    19995
    FJQ
    ZINC000000897385    		 2 C16 H13 Cl3 N2 O S InChI=1S/C16H13Cl3N2OS/c1
    7-12-1-2-13(14(18)7-12)15
    (8-21-5-4-20-10-21)22-9-1
    1-3-6-23-16(11)19/h1-7,10
    ,15H,8-9H2/t15-/m0/s1;
    QXHHHPZILQDDPS-HNNXBMFYSA-N    		 c1cc(c(cc1Cl)Cl)C(Cn2ccnc2)OCc3ccsc3Cl;
    c1cc(c(cc1Cl)Cl)[C@H](Cn2ccnc2)OCc3ccsc3
    Cl; Clc1ccc([CH](Cn2ccnc2)OCc3ccsc3Cl)c(
    Cl)c1; Clc1ccc([C@H](Cn2ccnc2)OCc3ccsc3C
    l)c(Cl)c1    		 Tioconazole
    19996
    FJR    		 2 C17 H14 N2 O3 InChI=1S/C17H14N2O3/c1-10
    -5-7-12(8-6-10)19-17(21)1
    3-9-11-3-2-4-14(20)15(11)
    22-16(13)18/h2-9,18,20H,1
    H3,(H,19,21)/b18-16-;
    SKZQOFVKMNLPBF-VLGSPTGOSA-N    		 Cc1ccc(cc1)NC(=O)C2=Cc3cccc(c3OC2=N)O; [
    H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3ccc(c
    c3)C; Cc1ccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)
    cc1    		 2-azanylidene-N-(4-methylphenyl)-8-oxidanyl-chromene-3-carboxamide;
    8-hydroxy-2-imino-N-(p-tolyl)-2H-chromene-3-carboxamide
    19997
    FJS
    ZINC000584905578    		 1 C29 H23 N3 O5 InChI=1S/C29H23N3O5/c1-36
    -19-10-8-16(9-11-19)26-27
    (32-37-29(26)31-28(35)17-
    6-7-17)22-12-21(24(33)13-
    25(22)34)23-15-30-14-18-4
    -2-3-5-20(18)23/h2-5,8-15
    ,17,33-34H,6-7H2,1H3,(H,3
    1,35);
    MNRGCENZNLYERC-UHFFFAOYSA-N    		 c1cc(ccc1OC)c2c(onc2c5cc(c3c4c(cnc3)cccc
    4)c(cc5O)O)NC(C6CC6)=O; COc1ccc(cc1)c2c(
    noc2NC(=O)C3CC3)c4cc(c(cc4O)O)c5cncc6c5c
    ccc6; COc1ccc(cc1)c2c(NC(=O)C3CC3)onc2c4
    cc(c(O)cc4O)c5cncc6ccccc56    		 N-{3-[2,4-dihydroxy-5-(isoquinolin-4-yl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl}cyclopropanecarboxamide
    19998
    FJT
    ZINC000013364070    		 28 C18 H13 Cl F N3 O4 InChI=1S/C18H13ClFN3O4/c1
    9-13-7-12(20)3-2-11(13)6-
    16-22-23-18(27-16)17(24)2
    1-8-10-1-4-14-15(5-10)26-
    9-25-14/h1-5,7H,6,8-9H2,(
    H,21,24);
    DDGOMXRMDQDHAN-UHFFFAOYSA-N    		 Fc1ccc(Cc2oc(nn2)C(=O)NCc3ccc4OCOc4c3)c(
    Cl)c1; c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc(
    cc4Cl)F)OCO2    		 ~{N}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
    19999
    FJU    		 2 C18 H16 N2 O3 InChI=1S/C18H16N2O3/c1-2-
    11-5-3-7-13(9-11)20-18(22
    )14-10-12-6-4-8-15(21)16(
    12)23-17(14)19/h3-10,19,2
    1H,2H2,1H3,(H,20,22)/b19-
    17-;
    KJSIIAIZHJYKDK-ZPHPHTNESA-N    		 CCc1cccc(c1)NC(=O)C2=Cc3cccc(c3OC2=N)O;
    CCc1cccc(NC(=O)C2=Cc3cccc(O)c3OC2=N)c1;
    [H]/N=C\1/C(=Cc2cccc(c2O1)O)C(=O)Nc3cccc
    (c3)CC    		 2-azanylidene-N-(3-ethylphenyl)-8-oxidanyl-chromene-3-carboxamide;
    N-(3-ethylphenyl)-8-hydroxy-2-imino-2H-chromene-3-carboxamide
    20000
    FJV
    CHEMBL3980115
    ZINC000000779464    		 2 C20 H25 N7 O S InChI=1S/C20H25N7OS/c1-2-
    4-14-13(3-1)15-16-17(19(2
    4-25-23-16)26-7-5-21-6-8-
    26)29-20(15)22-18(14)27-9
    -11-28-12-10-27/h21H,1-12
    H2;
    ZPVQONCMKZBGTB-UHFFFAOYSA-N    		 C1COCCN1c3c2CCCCc2c4c(n3)sc5c4nnnc5N6CCN
    CC6; C1CCc2c(c3c4c(c(nnn4)N5CCNCC5)sc3nc
    2N6CCOCC6)C1; C1CCc2c(C1)c(nc3sc4c(nnnc4
    c23)N5CCNCC5)N6CCOCC6    		 4-(8-(piperazin-1-yl)-1,2,3,4-tetrahydro-[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinolin-5-yl)morpholine;
    5-(morpholin-4-yl)-8-(piperazin-1-yl)-1,2,3,4-tetrahydro[1,2,3]triazino[4',5':4,5]thieno[2,3-c]isoquinoline
    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)(download the PDF file).
  • 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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