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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    14801 BEB
    CHEMBL367384
    ZINC000004424152    		 2 C38 H40 N2 O8 InChI=1S/C38H40N2O8/c41-2
    9-19-25-15-7-9-17-27(25)3
    1(29)39-37(45)35(47-21-23
    -11-3-1-4-12-23)33(43)34(
    44)36(48-22-24-13-5-2-6-1
    4-24)38(46)40-32-28-18-10
    -8-16-26(28)20-30(32)42/h
    1-18,29-36,41-44H,19-22H2
    ,(H,39,45)(H,40,46)/t29-,
    30-,31+,32+,33-,34-,35-,3
    6-/m1/s1;
    UOHMQWQGAJAUGT-JQFCFGFHSA-N    		 c1ccc(cc1)COC(C(C(C(C(=O)NC2c3ccccc3CC2O
    )OCc4ccccc4)O)O)C(=O)NC5c6ccccc6CC5O; O[
    CH]1Cc2ccccc2[CH]1NC(=O)[CH](OCc3ccccc3)
    [CH](O)[CH](O)[CH](OCc4ccccc4)C(=O)N[CH]
    5[CH](O)Cc6ccccc56; O=C(NC2c1ccccc1CC2O)
    C(OCc3ccccc3)C(O)C(O)C(OCc4ccccc4)C(=O)N
    C6c5ccccc5CC6O; O[C@@H]1Cc2ccccc2[C@@H]1
    NC(=O)[C@H](OCc3ccccc3)[C@H](O)[C@@H](O)
    [C@@H](OCc4ccccc4)C(=O)N[C@@H]5[C@H](O)C
    c6ccccc56; c1ccc(cc1)CO[C@H]([C@@H]([C@H
    ]([C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)OCc
    4ccccc4)O)O)C(=O)N[C@H]5c6ccccc6C[C@H]5O    		 N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL];
    INHIBITOR BEA369
    14802 BEC
    CHEMBL573887
    DB04255
    ZINC000024495650    		 2 C35 H43 N3 O8 InChI=1S/C35H43N3O8/c1-21
    (2)27(33(42)36-3)37-34(43
    )31(45-19-22-12-6-4-7-13-
    22)29(40)30(41)32(46-20-2
    3-14-8-5-9-15-23)35(44)38
    -28-25-17-11-10-16-24(25)
    18-26(28)39/h4-17,21,26-3
    2,39-41H,18-20H2,1-3H3,(H
    ,36,42)(H,37,43)(H,38,44)
    /t26-,27+,28+,29-,30-,31-
    ,32-/m1/s1;
    VZNNJZGVQVNHCM-CDNLURBZSA-N    		 CNC(=O)[CH](NC(=O)[CH](OCc1ccccc1)[CH](O
    )[CH](O)[CH](OCc2ccccc2)C(=O)N[CH]3[CH](
    O)Cc4ccccc34)C(C)C; CC(C)[C@@H](C(=O)NC)
    NC(=O)[C@@H]([C@@H]([C@H]([C@H](C(=O)N[C
    @H]1c2ccccc2C[C@H]1O)OCc3ccccc3)O)O)OCc4
    ccccc4; O=C(NC)C(NC(=O)C(OCc1ccccc1)C(O)
    C(O)C(OCc2ccccc2)C(=O)NC4c3ccccc3CC4O)C(
    C)C; CC(C)C(C(=O)NC)NC(=O)C(C(C(C(C(=O)N
    C1c2ccccc2CC1O)OCc3ccccc3)O)O)OCc4ccccc4
    ; CNC(=O)[C@@H](NC(=O)[C@H](OCc1ccccc1)[
    C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)C(=O)N
    [C@@H]3[C@H](O)Cc4ccccc34)C(C)C    		 [5-(2-HYDROXY-INDAN-1-YLCARBAMOYL)-3,4-DIHYDROXY-2,5-[DIBENZYL-OXY]-PENTANOYL]-VALINYL-AMIDO-METHANE;
    INHIBITOR BEA388
    14803 BED
    DB02629
    ZINC000024495662    		 2 C38 H38 F2 N2 O8 InChI=1S/C38H38F2N2O8/c39
    -27-15-7-3-11-23(27)19-49
    -35(37(47)41-31-25-13-5-1
    -9-21(25)17-29(31)43)33(4
    5)34(46)36(50-20-24-12-4-
    8-16-28(24)40)38(48)42-32
    -26-14-6-2-10-22(26)18-30
    (32)44/h1-16,29-36,43-46H
    ,17-20H2,(H,41,47)(H,42,4
    8)/t29-,30-,31+,32+,33-,3
    4-,35-,36-/m1/s1;
    LYHLPPXMBKMSSZ-JQFCFGFHSA-N    		 c1ccc2c(c1)CC(C2NC(=O)C(C(C(C(C(=O)NC3c4
    ccccc4CC3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O
    ; Fc1ccccc1COC(C(=O)NC3c2ccccc2CC3O)C(O)
    C(O)C(OCc4ccccc4F)C(=O)NC6c5ccccc5CC6O;
    c1ccc2c(c1)C[C@H]([C@H]2NC(=O)[C@@H]([C@
    @H]([C@H]([C@H](C(=O)N[C@H]3c4ccccc4C[C@
    H]3O)OCc5ccccc5F)O)O)OCc6ccccc6F)O; O[C@
    @H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](OCc3cccc
    c3F)[C@H](O)[C@@H](O)[C@@H](OCc4ccccc4F)
    C(=O)N[C@@H]5[C@H](O)Cc6ccccc56; O[CH]1C
    c2ccccc2[CH]1NC(=O)[CH](OCc3ccccc3F)[CH]
    (O)[CH](O)[CH](OCc4ccccc4F)C(=O)N[CH]5[C
    H](O)Cc6ccccc56    		 N,N-[2,5-O-DI-2-FLUORO-BENZYL-GLUCARYL]-DI-[1-AMINO-INDAN-2-OL];
    INHIBITOR BEA403
    14804 BEE
    CHEMBL127214
    DB04547
    ZINC000095548316    		 2 C40 H50 N4 O8 S2 InChI=1S/C40H50N4O8S2/c1-
    23(2)31(37(47)41-5)43-39(
    49)35(51-19-25-7-11-27(12
    -8-25)29-15-17-53-21-29)3
    3(45)34(46)36(40(50)44-32
    (24(3)4)38(48)42-6)52-20-
    26-9-13-28(14-10-26)30-16
    -18-54-22-30/h7-18,21-24,
    31-36,45-46H,19-20H2,1-6H
    3,(H,41,47)(H,42,48)(H,43
    ,49)(H,44,50)/t31-,32-,33
    +,34+,35+,36+/m0/s1;
    AJZAPEZJWWQJHC-UWNKZCSISA-N    		 CNC(=O)[CH](NC(=O)[CH](OCc1ccc(cc1)c2csc
    c2)[CH](O)[CH](O)[CH](OCc3ccc(cc3)c4cscc
    4)C(=O)N[CH](C(C)C)C(=O)NC)C(C)C; CC(C)C
    (C(=O)NC)NC(=O)C(C(C(C(C(=O)NC(C(C)C)C(=
    O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc(cc3
    )c4ccsc4; CC(C)[C@@H](C(=O)NC)NC(=O)[C@@
    H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C(C)C
    )C(=O)NC)OCc1ccc(cc1)c2ccsc2)O)O)OCc3ccc
    (cc3)c4ccsc4; CNC(=O)[C@@H](NC(=O)[C@H](
    OCc1ccc(cc1)c2cscc2)[C@H](O)[C@@H](O)[C@
    @H](OCc3ccc(cc3)c4cscc4)C(=O)N[C@@H](C(C
    )C)C(=O)NC)C(C)C; O=C(NC)C(NC(=O)C(OCc2c
    cc(c1ccsc1)cc2)C(O)C(O)C(OCc4ccc(c3ccsc3
    )cc4)C(=O)NC(C(=O)NC)C(C)C)C(C)C    		 N,N-[2,5-O-[DI-4-THIOPHEN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE];
    INHIBITOR BEA409
    14805 BEF 924 Be F3 InChI=1S/Be.3FH/h;3*1H/q+
    2;;;/p-3;
    OGIAHMCCNXDTIE-UHFFFAOYSA-K    		 [Be-](F)(F)F; F[Be-](F)F BERYLLIUM TRIFLUORIDE ION
    14806 BEG
    DB04190
    ZINC000024465909    		 2 C38 H40 N2 O7 InChI=1S/C38H40N2O7/c41-3
    0-19-26-15-7-9-17-28(26)3
    4(30)39-37(44)33(46-22-24
    -11-3-1-4-12-24)21-32(43)
    36(47-23-25-13-5-2-6-14-2
    5)38(45)40-35-29-18-10-8-
    16-27(29)20-31(35)42/h1-1
    8,30-36,41-43H,19-23H2,(H
    ,39,44)(H,40,45)/t30-,31-
    ,32-,33-,34+,35+,36-/m1/s
    1;
    AHAVBKNGKPWROK-UMFPTGFGSA-N    		 O[C@H](C[C@@H](OCc1ccccc1)C(=O)N[C@@H]2[
    C@H](O)Cc3ccccc23)[C@@H](OCc4ccccc4)C(=O
    )N[C@@H]5[C@H](O)Cc6ccccc56; c1ccc(cc1)C
    O[C@H](C[C@H]([C@H](C(=O)N[C@H]2c3ccccc3
    C[C@H]2O)OCc4ccccc4)O)C(=O)N[C@H]5c6cccc
    c6C[C@H]5O; c1ccc(cc1)COC(CC(C(C(=O)NC2c
    3ccccc3CC2O)OCc4ccccc4)O)C(=O)NC5c6ccccc
    6CC5O; O[CH](C[CH](OCc1ccccc1)C(=O)N[CH]
    2[CH](O)Cc3ccccc23)[CH](OCc4ccccc4)C(=O)
    N[CH]5[CH](O)Cc6ccccc56; O=C(NC2c1ccccc1
    CC2O)C(OCc3ccccc3)CC(O)C(OCc4ccccc4)C(=O
    )NC6c5ccccc5CC6O    		 2,5-DIBENZYLOXY-3-HYDROXY-HEXANEDIOIC ACID BIS-[(2-HYDROXY-INDAN-1-YL)-AMIDE];
    INHIBITOR BEA425
    14807 BEH
    ZINC000024465897    		 2 C36 H38 N2 O7 InChI=1S/C36H38N2O7/c39-2
    9-20-27-18-10-11-19-28(27
    )30(29)38-36(43)34(45-23-
    26-16-8-3-9-17-26)32(41)3
    1(40)33(44-22-25-14-6-2-7
    -15-25)35(42)37-21-24-12-
    4-1-5-13-24/h1-19,29-34,3
    9-41H,20-23H2,(H,37,42)(H
    ,38,43)/t29-,30+,31-,32-,
    33-,34-/m1/s1;
    KMCYORONTQQGJB-VQEIZDKSSA-N    		 O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@H](OCc3
    ccccc3)[C@H](O)[C@@H](O)[C@@H](OCc4ccccc
    4)C(=O)NCc5ccccc5; O=C(NCc1ccccc1)C(OCc2
    ccccc2)C(O)C(O)C(OCc3ccccc3)C(=O)NC5c4cc
    ccc4CC5O; O[CH]1Cc2ccccc2[CH]1NC(=O)[CH]
    (OCc3ccccc3)[CH](O)[CH](O)[CH](OCc4ccccc
    4)C(=O)NCc5ccccc5; c1ccc(cc1)CNC(=O)[C@@
    H]([C@@H]([C@H]([C@H](C(=O)N[C@H]2c3cccc
    c3C[C@H]2O)OCc4ccccc4)O)O)OCc5ccccc5; c1
    ccc(cc1)CNC(=O)C(C(C(C(C(=O)NC2c3ccccc3C
    C2O)OCc4ccccc4)O)O)OCc5ccccc5    		 2,5-DIBENZYLOXY-3,4-DIHYDROXY-HEXANEDIOIC ACID BENZYLAMIDE (2-HYDROXY-INDAN-1-YL)-AMIDE;
    INHIBITOR BEA435
    14808 BEI
    DB03908
    ZINC000024495494    		 2 C34 H50 N4 O8 InChI=1S/C34H50N4O8/c1-7-
    21(3)25(31(41)35-5)37-33(
    43)29(45-19-23-15-11-9-12
    -16-23)27(39)28(40)30(46-
    20-24-17-13-10-14-18-24)3
    4(44)38-26(22(4)8-2)32(42
    )36-6/h9-18,21-22,25-30,3
    9-40H,7-8,19-20H2,1-6H3,(
    H,35,41)(H,36,42)(H,37,43
    )(H,38,44)/t21-,22-,25-,2
    6-,27+,28+,29+,30+/m0/s1;
    GLKONBHDVMFJNJ-XAOMMOPXSA-N    		 CC[C@H](C)[C@@H](C(=O)NC)NC(=O)[C@@H]([C
    @@H]([C@H]([C@H](C(=O)N[C@@H]([C@@H](C)C
    C)C(=O)NC)OCc1ccccc1)O)O)OCc2ccccc2; O=C
    (NC)C(NC(=O)C(OCc1ccccc1)C(O)C(O)C(OCc2c
    cccc2)C(=O)NC(C(=O)NC)C(C)CC)C(C)CC; CC[
    CH](C)[CH](NC(=O)[CH](OCc1ccccc1)[CH](O)
    [CH](O)[CH](OCc2ccccc2)C(=O)N[CH]([CH](C
    )CC)C(=O)NC)C(=O)NC; CCC(C)C(C(=O)NC)NC(
    =O)C(C(C(C(C(=O)NC(C(C)CC)C(=O)NC)OCc1cc
    ccc1)O)O)OCc2ccccc2; CC[C@H](C)[C@H](NC(
    =O)[C@H](OCc1ccccc1)[C@H](O)[C@@H](O)[C@
    @H](OCc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)
    C(=O)NC)C(=O)NC    		 N,N-[2,5-O-[DIBENZYL]-GLUCARYL]-DI-[ISOLEUCYL-AMIDO-METHANE];
    INHIBITOR BEA322
    14809 BEJ
    CHEMBL123850
    DB02683
    ZINC000095547578    		 2 C42 H52 N6 O8 InChI=1S/C42H52N6O8/c1-25
    (2)33(39(51)43-5)47-41(53
    )37(55-23-27-11-15-29(16-
    12-27)31-9-7-19-45-21-31)
    35(49)36(50)38(42(54)48-3
    4(26(3)4)40(52)44-6)56-24
    -28-13-17-30(18-14-28)32-
    10-8-20-46-22-32/h7-22,25
    -26,33-38,49-50H,23-24H2,
    1-6H3,(H,43,51)(H,44,52)(
    H,47,53)(H,48,54)/t33-,34
    -,35+,36+,37+,38+/m0/s1;
    FOBRXMROTNVGST-CXPJILFNSA-N    		 CNC(=O)[CH](NC(=O)[CH](OCc1ccc(cc1)c2ccc
    nc2)[CH](O)[CH](O)[CH](OCc3ccc(cc3)c4ccc
    nc4)C(=O)N[CH](C(C)C)C(=O)NC)C(C)C; CC(C
    )C(C(=O)NC)NC(=O)C(C(C(C(C(=O)NC(C(C)C)C
    (=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OCc3ccc(
    cc3)c4cccnc4; CC(C)[C@@H](C(=O)NC)NC(=O)
    [C@@H]([C@@H]([C@H]([C@H](C(=O)N[C@@H](C
    (C)C)C(=O)NC)OCc1ccc(cc1)c2cccnc2)O)O)OC
    c3ccc(cc3)c4cccnc4; CNC(=O)[C@@H](NC(=O)
    [C@H](OCc1ccc(cc1)c2cccnc2)[C@H](O)[C@@H
    ](O)[C@@H](OCc3ccc(cc3)c4cccnc4)C(=O)N[C
    @@H](C(C)C)C(=O)NC)C(C)C; O=C(NC)C(NC(=O
    )C(OCc2ccc(c1cccnc1)cc2)C(O)C(O)C(OCc4cc
    c(c3cccnc3)cc4)C(=O)NC(C(=O)NC)C(C)C)C(C
    )C    		 N,N-[2,5-O-[DI-4-PYRIDIN-3-YL-BENZYL]-GLUCARYL]-DI-[VALYL-AMIDO-METHANE];
    INHIBITOR BEA428
    14810 BEK
    DB01827
    ZINC000012501151    		 1 C8 H5 F4 N O2 InChI=1S/C8H5F4NO2/c1-15-
    7-5(11)3(9)2(8(13)14)4(10
    )6(7)12/h1H3,(H2,13,14);
    JTXPTSGPUNTKSM-UHFFFAOYSA-N    		 COc1c(c(c(c(c1F)F)C(=O)N)F)F; Fc1c(F)c(c
    (F)c(F)c1OC)C(=O)N; COc1c(F)c(F)c(C(N)=O
    )c(F)c1F    		 2,3,5,6-TETRAFLUORO-4-METHOXY-BENZAMIDE
    14811 BEL
    DB04138
    ZINC000053684326    		 2 C14 H14 Br2 N4 O7 InChI=1S/C14H14Br2N4O7/c1
    5-1-3-18(4-2-16)12-5-10(1
    4(23)17-7-9(22)8-21)11(19
    (24)25)6-13(12)20(26)27/h
    5-6,8H,1-4,7H2,(H,17,23);
    LECLJMCDJUEAKI-UHFFFAOYSA-N    		 c1c(c(cc(c1N(CCBr)CCBr)[N+](=O)[O-])[N+]
    (=O)[O-])C(=O)NCC(=O)C=O; [O-][N+](=O)c1
    cc(c(cc1N(CCBr)CCBr)C(=O)NCC(=O)C=O)[N+]
    ([O-])=O; O=CC(=O)CNC(=O)c1cc(N(CCBr)CCB
    r)c(cc1[N+]([O-])=O)[N+]([O-])=O    		 2,4-DINITRO,5-[BIS(2-BROMOETHYL)AMINO]-N-(2',3'-DIOXOPROPYL)BENZAMIDE
    14812 BEM
    ZINC000004095780    		 173 C6 H10 O7 InChI=1S/C6H10O7/c7-1-2(8
    )4(5(10)11)13-6(12)3(1)9/
    h1-4,6-9,12H,(H,10,11)/t1
    -,2-,3-,4-,6+/m0/s1;
    AEMOLEFTQBMNLQ-SYJWYVCOSA-N    		 [C@@H]1([C@@H]([C@H](O[C@H]([C@H]1O)O)C(
    =O)O)O)O; C1(C(C(OC(C1O)O)C(=O)O)O)O; O[
    CH]1O[CH]([CH](O)[CH](O)[CH]1O)C(O)=O; O
    =C(O)C1OC(O)C(O)C(O)C1O; O[C@@H]1O[C@@H]
    ([C@@H](O)[C@H](O)[C@@H]1O)C(O)=O    		 beta-D-mannopyranuronic acid;
    beta-D-mannuronic acid;
    D-mannuronic acid;
    mannuronic acid;
    (2S,3S,4S,5S,6R)-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
    14813 BEN
    CHEMBL20936
    ZINC000000036634    		 64 C7 H8 N2 InChI=1S/C7H8N2/c8-7(9)6-
    4-2-1-3-5-6/h1-5H,(H3,8,9
    );
    PXXJHWLDUBFPOL-UHFFFAOYSA-N    		 [H]/N=C(\c1ccccc1)/N; NC(=N)c1ccccc1; [N
    @H]=C(N)c1ccccc1; [H]N=C(c1ccccc1)N    		 BENZAMIDINE
    14814 BEO
    CHEMBL1213528
    DB02074
    ZINC000000901132    		 7 C4 H6 O2 InChI=1S/C4H6O2/c1-2-3-4(
    5)6/h2-3H,1H3,(H,5,6)/b3-
    2+;
    LDHQCZJRKDOVOX-NSCUHMNNSA-N    		 O=C(O)/C=C/C; CC=CC(O)=O; C/C=C/C(O)=O;
    CC=CC(=O)O    		 BUTENOIC ACID
    14815 BEP
    CHEMBL251075
    ZINC000003830283    		 5 C24 H34 N2 O InChI=1S/C24H34N2O/c1-21(
    2)19-27-20-24(25-15-9-10-
    16-25)18-26(23-13-7-4-8-1
    4-23)17-22-11-5-3-6-12-22
    /h3-8,11-14,21,24H,9-10,1
    5-20H2,1-2H3/t24-/m0/s1;
    UIEATEWHFDRYRU-DEOSSOPVSA-N    		 CC(C)COC[C@H](CN(Cc1ccccc1)c2ccccc2)N3CC
    CC3; CC(C)COCC(CN(Cc1ccccc1)c2ccccc2)N3C
    CCC3; CC(C)COC[C@H](C[N@@](Cc1ccccc1)c2c
    cccc2)N3CCCC3; O(CC(C)C)CC(N1CCCC1)CN(c2
    ccccc2)Cc3ccccc3; CC(C)COC[CH](CN(Cc1ccc
    cc1)c2ccccc2)N3CCCC3    		 1-ISOBUTOXY-2-PYRROLIDINO-3[N-BENZYLANILINO] PROPANE;
    BEPRIDIL
    14816 BEQ
    CHEMBL1231297    		 1 C19 H38 N2 O3 InChI=1S/C19H38N2O3/c1-4-
    5-6-7-8-9-10-11-12-14-18(
    22)20-15-13-16-21(2,3)17-
    19(23)24/h4-17H2,1-3H3,(H
    -,20,22,23,24);
    MRUAUOIMASANKQ-UHFFFAOYSA-N    		 CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC([O-])=O
    ; [O-]C(=O)C[N+](CCCNC(=O)CCCCCCCCCCC)(C
    )C; CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)
    [O-]    		 N-(CARBOXYMETHYL)-N,N-DIMETHYL-3-[(1-OXODODECYL)AMINO]-1-PROPANAMINIUM INNER SALT;
    N-[3-(DODECANOYLAMINO)PROPYL]-N,N-DIMETHYLGLYCINATE;
    COCOAMIDOPROPYLBETAINE
    14817 BER
    CHEMBL295124
    DB04115
    ZINC000003779067    		 25 C20 H18 N O4 InChI=1S/C20H18NO4/c1-22-
    17-4-3-12-7-16-14-9-19-18
    (24-11-25-19)8-13(14)5-6-
    21(16)10-15(12)20(17)23-2
    /h3-4,7-10H,5-6,11H2,1-2H
    3/q+1;
    YBHILYKTIRIUTE-UHFFFAOYSA-N    		 COc1ccc2cc-3[n+](cc2c1OC)CCc4c3cc5c(c4)O
    CO5; O1c2c(OC1)cc5c(c2)c4cc3ccc(OC)c(OC)
    c3c[n+]4CC5; COc1ccc2cc3c4cc5OCOc5cc4CC[
    n+]3cc2c1OC    		 BERBERINE
    14818 BES
    CHEMBL29292
    DB03424
    ZINC000001542895    		 77 C16 H24 N2 O4 InChI=1S/C16H24N2O4/c1-10
    (2)8-13(16(21)22)18-15(20
    )14(19)12(17)9-11-6-4-3-5
    -7-11/h3-7,10,12-14,19H,8
    -9,17H2,1-2H3,(H,18,20)(H
    ,21,22)/t12-,13+,14+/m1/s
    1;
    VGGGPCQERPFHOB-RDBSUJKOSA-N    		 CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C
    c1ccccc1)N)O; CC(C)C[C@H](NC(=O)[C@@H](O
    )[C@H](N)Cc1ccccc1)C(O)=O; O=C(O)C(NC(=O
    )C(O)C(N)Cc1ccccc1)CC(C)C; CC(C)CC(C(=O)
    O)NC(=O)C(C(Cc1ccccc1)N)O; CC(C)C[CH](NC
    (=O)[CH](O)[CH](N)Cc1ccccc1)C(O)=O    		 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID;
    BESTATIN
    14819 BET
    CHEMBL95889
    DB04455
    ZINC000001532728    		 0 C5 H12 N O2 InChI=1S/C5H11NO2/c1-6(2,
    3)4-5(7)8/h4H2,1-3H3/p+1;
    KWIUHFFTVRNATP-UHFFFAOYSA-O    		 C[N+](C)(C)CC(=O)O; C[N+](C)(C)CC(O)=O;
    O=C(O)C[N+](C)(C)C    		 TRIMETHYL GLYCINE
    14820 BEU
    ZINC000016052248    		 2 C9 H16 N2 O4 InChI=1S/C9H16N2O4/c1-4(1
    3)11-7-6(10)2-5(3-12)8(14
    )9(7)15/h2,6-9,12,14-15H,
    3,10H2,1H3,(H,11,13)/t6-,
    7+,8-,9-/m1/s1;
    WWUMIYBLWZAJTD-BZNPZCIMSA-N    		 CC(=O)N[C@H]1[C@H](N)C=C(CO)[C@@H](O)[C@
    @H]1O; O=C(NC1C(C=C(C(O)C1O)CO)N)C; CC(=
    O)N[C@H]1[C@@H](C=C([C@H]([C@@H]1O)O)CO)
    N; CC(=O)N[CH]1[CH](N)C=C(CO)[CH](O)[CH]
    1O; CC(=O)NC1C(C=C(C(C1O)O)CO)N    		 N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE;
    2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE
    14821 BEV
    ZINC000039121671    		 1 C3 H7 N3 O2 S2 InChI=1S/C3H7N3O2S2/c4-10
    (7,8)6-3-5-1-2-9-3/h1-2H2
    ,(H,5,6)(H2,4,7,8);
    CFSSYZATGDLVQN-UHFFFAOYSA-N    		 C1CS/C(=N\S(=O)(=O)N)/N1; C1CSC(=NS(=O)(
    =O)N)N1; N[S](=O)(=O)N=C1NCCS1; O=S(=O)(
    /N=C1\SCCN1)N    		 N-[(2Z)-1,3-thiazolidin-2-ylidene]sulfamide
    14822 BEW
    ZINC000103533967    		 3 C5 H6 N O S InChI=1S/C5H5NOS/c7-6-4-2
    -1-3-5(6)8/h1-4,7H/p+1;
    YBBJKCMMCRQZMA-UHFFFAOYSA-O    		 c1cc[n+](c(c1)S)O; O[n+]1ccccc1S 1-hydroxy-2-sulfanylpyridinium
    14823 BEX
    ZINC000066166091    		 1 C15 H19 N3 O5 S InChI=1S/C15H19N3O5S/c1-2
    1-13-9-8-11(10-14(13)22-2
    )17-15(18-24(16,19)20)23-
    12-6-4-3-5-7-12/h3-10,15,
    17-18H,1-2H3,(H2,16,19,20
    )/t15-/m1/s1;
    YJTSCHAMOBJRMX-OAHLLOKOSA-N    		 COc1ccc(N[CH](N[S](N)(=O)=O)Oc2ccccc2)cc
    1OC; COc1ccc(cc1OC)NC(NS(=O)(=O)N)Oc2ccc
    cc2; O=S(=O)(N)NC(Oc1ccccc1)Nc2cc(OC)c(O
    C)cc2; COc1ccc(cc1OC)N[C@H](NS(=O)(=O)N)
    Oc2ccccc2; COc1ccc(N[C@H](N[S](N)(=O)=O)
    Oc2ccccc2)cc1OC    		 N-[(R)-[(3,4-dimethoxyphenyl)amino](phenoxy)methyl]sulfamide
    14824 BEY
    CHEMBL393949
    DB07448
    ZINC000013522020    		 13 C19 H24 N O4 P InChI=1S/C19H24NO4P/c20-1
    8(12-11-15-7-3-1-4-8-15)2
    5(23,24)14-17(19(21)22)13
    -16-9-5-2-6-10-16/h1-10,1
    7-18H,11-14,20H2,(H,21,22
    )(H,23,24)/t17-,18+/m1/s1;
    QELOIXSGJMIHBZ-MSOLQXFVSA-N    		 N[C@H](CCc1ccccc1)[P@@](O)(=O)C[C@@H](Cc
    2ccccc2)C(O)=O; c1ccc(cc1)CC[C@@H](N)[P@
    @](=O)(C[C@@H](Cc2ccccc2)C(=O)O)O; N[CH]
    (CCc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc2)C(
    O)=O; O=C(O)C(Cc1ccccc1)CP(=O)(O)C(N)CCc
    2ccccc2; c1ccc(cc1)CCC(N)P(=O)(CC(Cc2ccc
    cc2)C(=O)O)O    		 (2S)-3-[(R)-[(1S)-1-amino-3-phenylpropyl](hydroxy)phosphoryl]-2-benzylpropanoic acid
    14825 BEZ
    CHEMBL541
    DB03793
    ZINC000000001011    		 22 C7 H6 O2 InChI=1S/C7H6O2/c8-7(9)6-
    4-2-1-3-5-6/h1-5H,(H,8,9);
    WPYMKLBDIGXBTP-UHFFFAOYSA-N    		 O=C(O)c1ccccc1; c1ccc(cc1)C(=O)O; OC(=O)
    c1ccccc1    		 BENZOIC ACID
    14826 BF0
    ZINC000095921301    		 1 C25 H32 N2 O6 InChI=1S/C25H32N2O6/c1-32
    -20(30)7-6-19(29)26-16-8-
    9-25(31)18-12-15-4-5-17(2
    8)22-21(15)24(25,23(16)33
    -22)10-11-27(18)13-14-2-3
    -14/h4-5,14,16,18,23,28,3
    1H,2-3,6-13H2,1H3,(H,26,2
    9)/t16-,18-,23+,24+,25-/m
    1/s1;
    PGIBGSVRAVGQMY-OIUZVZFJSA-N    		 COC(=O)CCC(=O)NC1CCC2(C3Cc4ccc(c5c4C2(C1
    O5)CCN3CC6CC6)O)O; COC(=O)CCC(=O)N[CH]1C
    C[C]2(O)[CH]3Cc4ccc(O)c5O[CH]1[C]2(CCN3C
    C6CC6)c45; O=C(OC)CCC(=O)NC1CCC5(O)C4N(C
    CC52c3c(ccc(O)c3OC12)C4)CC6CC6; COC(=O)C
    CC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)
    c5O[C@@H]1[C@]2(CCN3CC6CC6)c45; COC(=O)C
    CC(=O)N[C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[
    C@]2([C@H]1O5)CCN3CC6CC6)O)O    		 methyl 4-{[(5beta,6alpha)-17-(cyclopropylmethyl)-3,14-dihydroxy-4,5-epoxymorphinan-6-yl]amino}-4-oxobutanoate;
    beta-funaltrexamine, bound form
    14827 BF2 7 Be F2 InChI=1S/Be.2FH/h;2*1H/q+
    2;;/p-2;
    JZKFIPKXQBZXMW-UHFFFAOYSA-L    		 [Be](F)F; F[Be]F BERYLLIUM DIFLUORIDE
    14828 BF3
    CHEMBL556473
    ZINC000043023318    		 1 C15 H9 Cl F N O4 InChI=1S/C15H9ClFNO4/c16-
    9-3-1-2-7(12(9)17)6-18-14
    (21)8-4-5-10(19)13(20)11(
    8)15(18)22/h1-5,19-20H,6H
    2;
    WMFOJSRDGWZYSC-UHFFFAOYSA-N    		 Oc1ccc2C(=O)N(Cc3cccc(Cl)c3F)C(=O)c2c1O;
    c1cc(c(c(c1)Cl)F)CN2C(=O)c3ccc(c(c3C2=O
    )O)O; Clc1cccc(c1F)CN3C(=O)c2ccc(O)c(O)c
    2C3=O    		 2-(3-chloro-2-fluorobenzyl)-4,5-dihydroxy-1H-isoindole-1,3(2H)-dione
    14829 BF4 1 Be F4 InChI=1S/Be.4FH/h;4*1H/q+
    2;;;;/p-4;
    UUMYFIKVCFICLB-UHFFFAOYSA-J    		 F[Be--](F)(F)F; F[Be-2](F)(F)F; [Be-2](F
    )(F)(F)F    		 BERYLLIUM TETRAFLUORIDE ION
    14830 BF5 2 C17 H19 F N4 O4 InChI=1S/C17H21FN4O4/c1-9
    -8-26-16-13-10(15(23)11(1
    7(24)25)7-22(9)13)6-12(18
    )14(16)20-2-4-21(19)5-3-2
    0/h7,9,23H,2-6,8,19H2,1H3
    ,(H,24,25)/p-1/t9-/m0/s1;
    XSSSNYCVNIDBIB-VIFPVBQESA-M    		 CC1COC2=C3N1C=C(C(=C3CC(=C2N4CCN(CC4)N)F
    )O)C(=O)[O-]; [O-]C(=O)C=1C(O)=C4C=2N(C=
    1)C(COC=2C(N3CCN(N)CC3)=C(F)C4)C; C[C@H]
    1COC2=C3N1C=C(C([O-])=O)C(=C3CC(=C2N4CCN
    (N)CC4)F)O; C[C@H]1COC2=C3N1C=C(C(=C3CC(
    =C2N4CCN(CC4)N)F)O)C(=O)[O-]; C[CH]1COC2
    =C3N1C=C(C([O-])=O)C(=C3CC(=C2N4CCN(N)CC
    4)F)O    		 (3S)-10-(4-AMINOPIPERAZIN-1-YL)-9-FLUORO-7-HYDROXY-3-METHYL-2,3-DIHYDRO-8H-[1,4]OXAZINO[2,3,4-IJ]QUINOLINE-6-CARBOXYLATE
    14831 BF6 0 C20 H17 N3 O4 InChI=1S/C20H17N3O4/c21-1
    1-17-22-16(20(27)23(17)12
    -18(24)25)10-13-6-8-15(9-
    7-13)19(26)14-4-2-1-3-5-1
    4/h1-10H,11-12,21H2,(H,24
    ,25)/b16-10-;
    HXSAGPWZHSXBJP-YBEGLDIGSA-N    		 c1ccc(cc1)C(=O)c2ccc(cc2)C=C3C(=O)N(C(=N
    3)CN)CC(=O)O; NCC1=NC(=C/c2ccc(cc2)C(=O)
    c3ccccc3)\C(=O)N1CC(O)=O; C(=C1\N=C(CN)N
    (CC(O)=O)C1=O)\c3ccc(C(c2ccccc2)=O)cc3;
    c1ccc(cc1)C(=O)c2ccc(cc2)/C=C\3/C(=O)N(C
    (=N3)CN)CC(=O)O; NCC1=NC(=Cc2ccc(cc2)C(=
    O)c3ccccc3)C(=O)N1CC(O)=O    		 [(4Z)-2-(aminomethyl)-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    14832 BF7
    ZINC000000032334    		 0 C9 H10 Br N O2 InChI=1S/C9H10BrNO2/c10-7
    -3-1-6(2-4-7)5-8(11)9(12)
    13/h1-4,8H,5,11H2,(H,12,1
    3)/t8-/m1/s1;
    PEMUHKUIQHFMTH-MRVPVSSYSA-N    		 NC(Cc1ccc(cc1)Br)C(=O)O; c1cc(ccc1C[C@H]
    (C(=O)O)N)Br; N[CH](Cc1ccc(Br)cc1)C(O)=O
    ; N[C@H](Cc1ccc(Br)cc1)C(O)=O; c1cc(ccc1
    CC(C(=O)O)N)Br    		 4-bromo-D-phenylalanine
    14833 BF8 3 Fe4 Ni O S4 InChI=1S/4Fe.Ni.O.4S;
    DGNZLMZPCMYVGP-UHFFFAOYSA-N    		 O1[Fe]S[Fe]S[Fe]S[Fe]S[Ni]1; O1[Fe][S]2[
    Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni]51    		 FE(4)-NI(1)-S(5) CLUSTER with Oxygen
    14834 BF9 0 C22 H21 N3 O5 InChI=1S/C22H21N3O5/c1-13
    (26)19(23)21-24-17(22(30)
    25(21)12-18(27)28)11-14-7
    -9-16(10-8-14)20(29)15-5-
    3-2-4-6-15/h2-11,13,19,26
    H,12,23H2,1H3,(H,27,28)/b
    17-11-/t13-,19-/m0/s1;
    QQKMSEAMLFRSCX-GBQBQLPHSA-N    		 C[C@H](O)[C@H](N)C1=NC(=C/c2ccc(cc2)C(=O
    )c3ccccc3)\C(=O)N1CC(O)=O; C[CH](O)[CH](
    N)C1=NC(=Cc2ccc(cc2)C(=O)c3ccccc3)C(=O)N
    1CC(O)=O; CC(C(C1=NC(=Cc2ccc(cc2)C(=O)c3
    ccccc3)C(=O)N1CC(=O)O)N)O; C[C@@H]([C@@H
    ](C1=N/C(=C\c2ccc(cc2)C(=O)c3ccccc3)/C(=
    O)N1CC(=O)O)N)O; c1ccccc1C(c3ccc(\C=C2\C
    (N(C(C(C(O)C)N)=N2)CC(=O)O)=O)cc3)=O    		 [(4Z)-2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-{[4-(benzenecarbonyl)phenyl]methylidene}-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid;
    PEPTIDE DERIVED CHROMOPHORE
    14835 BFA
    ZINC000003871308    		 0 C17 H17 Br N4 O InChI=1S/C17H17BrN4O/c1-2
    2(2)10-9-19-17(23)11-5-3-
    7-13-15(11)21-16-12(18)6-
    4-8-14(16)20-13/h3-8H,9-1
    0H2,1-2H3,(H,19,23);
    QCANCQNKYBFYAC-UHFFFAOYSA-N    		 CN(C)CCNC(=O)c1cccc2c1nc3c(n2)cccc3Br; O
    =C(NCCN(C)C)c2c1nc3c(nc1ccc2)cccc3Br; CN
    (C)CCNC(=O)c1cccc2nc3cccc(Br)c3nc12    		 9-BROMO-PHENAZINE-1-CARBOXYLIC ACID (2-DIMETHYLAMINO-ETHYL)-AMIDE
    14836 BFB
    DB07449
    ZINC000016051936    		 6 C14 H20 N4 O2 InChI=1S/C14H20N4O2/c1-10
    (15)17-9-5-8-12(13(16)19)
    18-14(20)11-6-3-2-4-7-11/
    h2-4,6-7,12H,5,8-9H2,1H3,
    (H2,15,17)(H2,16,19)(H,18
    ,20)/t12-/m0/s1;
    LWFFSSMDFWZNNW-LBPRGKRZSA-N    		 CC(=N)NCCC[CH](NC(=O)c1ccccc1)C(N)=O; O=
    C(NC(C(=O)N)CCCNC(=[N@H])C)c1ccccc1; [H]
    N=C(C)NCCCC(C(=O)N)NC(=O)c1ccccc1; [H]/N
    =C(/C)\NCCC[C@@H](C(=O)N)NC(=O)c1ccccc1;
    CC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(N)=O    		 N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE;
    (S)-N-ALPHA-BENZOYL-N5-(2-FLUORO-1-IMINOETHYL)-L-ORNITHINE AMIDE
    14837 BFC
    ZINC000058631448    		 0 C14 H28 O2 InChI=1S/C14H28O2/c1-2-3-
    4-5-6-7-8-9-10-11-14(16)1
    2-13-15/h13-14,16H,2-12H2
    ,1H3/t14-/m1/s1;
    PCOHAOZBEIUVSX-CQSZACIVSA-N    		 CCCCCCCCCCCC(CC=O)O; CCCCCCCCCCC[C@H](CC
    =O)O; O=CCC(O)CCCCCCCCCCC; CCCCCCCCCCC[C
    H](O)CC=O; CCCCCCCCCCC[C@@H](O)CC=O    		 (R)-3-HYDROXYTETRADECANAL
    14838 BFD
    DB04156    		 0 C4 H6 Be F3 N O4 InChI=1S/C4H7NO4.Be.3FH/c
    5-2(4(8)9)1-3(6)7;;;;/h2H
    ,1,5H2,(H,6,7)(H,8,9);;3*
    1H/q;+2;;;/p-4/t2-;;;;/m0
    ..../s1;
    AHUXVQYBCVIJSZ-AIDJSRAFSA-J    		 N[CH](CC(=O)O[Be--](F)(F)F)C(O)=O; [Be-2
    ](OC(=O)CC(C(=O)O)N)(F)(F)F; [Be-2](OC(=
    O)C[C@@H](C(=O)O)N)(F)(F)F; N[C@@H](CC(=
    O)O[Be--](F)(F)F)C(O)=O; O=C(O[Be-2](F)(
    F)F)CC(N)C(=O)O    		 ASPARTATE BERYLLIUM TRIFLUORIDE
    14839 BFE 1 C9 H11 N O S InChI=1S/C9H11NOS/c11-9(1
    0-6-7-12)8-4-2-1-3-5-8/h1
    -5,12H,6-7H2,(H,10,11);
    VQLAUZQBHULEDZ-UHFFFAOYSA-N    		 SCCNC(=O)c1ccccc1; c1ccc(cc1)C(=O)NCCS;
    O=C(NCCS)c1ccccc1    		 N-(2-sulfanylethyl)benzamide
    14840 BFF
    CHEMBL253969
    DB12962
    ZINC000003834191    		 1 C20 H24 Br F2 N5 O3 S InChI=1S/C20H24BrF2N5O3S/
    c21-12-9-14(22)13(15(23)1
    0-12)11-31-18-16(17(24)29
    )19(32-27-18)26-20(30)25-
    5-1-2-6-28-7-3-4-8-28/h9-
    10H,1-8,11H2,(H2,24,29)(H
    2,25,26,30);
    HXHAJRMTJXHJJZ-UHFFFAOYSA-N    		 c1c(cc(c(c1F)COc2c(c(sn2)NC(=O)NCCCCN3CC
    CC3)C(=O)N)F)Br; NC(=O)c1c(NC(=O)NCCCCN2
    CCCC2)snc1OCc3c(F)cc(Br)cc3F    		 3-[(4-bromo-2,6-difluorobenzyl)oxy]-5-{[(4-pyrrolidin-1-ylbutyl)carbamoyl]amino}isothiazole-4-carboxamide;
    3-(4-bromo-2,6-difluorobenzyloxy)-5-(3-(4-(pyrrolidin-1-yl)butyl)ureido)isothiazole-4-carboxamide
    14841 BFG
    ZINC000066166094    		 1 C17 H19 N O S InChI=1S/C17H19NOS/c19-17
    (18-11-12-20)13-16(14-7-3
    -1-4-8-14)15-9-5-2-6-10-1
    5/h1-10,16,20H,11-13H2,(H
    ,18,19);
    OBWWQAVWKRLIJP-UHFFFAOYSA-N    		 SCCNC(=O)CC(c1ccccc1)c2ccccc2; c1ccc(cc1
    )C(CC(=O)NCCS)c2ccccc2; O=C(NCCS)CC(c1cc
    ccc1)c2ccccc2    		 3,3-diphenyl-N-(2-sulfanylethyl)propanamide
    14842 BFH
    CHEMBL1231307
    ZINC000058631253    		 2 C15 H11 N O4 InChI=1S/C15H11NO4/c17-13
    (18)8-16-12(15(19)20)7-10
    -6-5-9-3-1-2-4-11(9)14(10
    )16/h1-7H,8H2,(H,17,18)(H
    ,19,20);
    AKGLRHRNGGDMDM-UHFFFAOYSA-N    		 c1ccc2c(c1)ccc3c2n(c(c3)C(=O)O)CC(=O)O;
    O=C(O)c3cc2c(c1ccccc1cc2)n3CC(=O)O; OC(=
    O)Cn1c(cc2ccc3ccccc3c12)C(O)=O    		 1-(carboxymethyl)-1H-benzo[g]indole-2-carboxylic acid
    14843 BFI
    CHEMBL292963
    DB07450
    ZINC000000597385    		 1 C19 H11 Br F2 N2 O4 InChI=1S/C19H11BrF2N2O4/c
    20-10-2-1-9(14(22)5-10)8-
    24-16(26)12-4-3-11(21)6-1
    3(12)19(18(24)28)7-15(25)
    23-17(19)27/h1-6H,7-8H2,(
    H,23,25,27)/t19-/m1/s1;
    BMHZAHGTGIZZCT-LJQANCHMSA-N    		 c1cc2c(cc1F)[C@@]3(CC(=O)NC3=O)C(=O)N(C2
    =O)Cc4ccc(cc4F)Br; Fc1ccc2C(=O)N(Cc3ccc(
    Br)cc3F)C(=O)[C]4(CC(=O)NC4=O)c2c1; Brc1
    ccc(c(F)c1)CN4C(=O)c2ccc(F)cc2C3(C(=O)NC
    (=O)C3)C4=O; Fc1ccc2C(=O)N(Cc3ccc(Br)cc3
    F)C(=O)[C@]4(CC(=O)NC4=O)c2c1; c1cc2c(cc
    1F)C3(CC(=O)NC3=O)C(=O)N(C2=O)Cc4ccc(cc4
    F)Br    		 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE;
    MINALRESTAT
    14844 BFK
    CHEMBL4171692    		 2 C24 H30 N6 O3 S InChI=1S/C24H30N6O3S/c1-1
    7-15-25-24(28-23(17)26-19
    -6-4-5-18(11-19)16-31)27-
    20-12-21(14-22(13-20)34(3
    ,32)33)30-9-7-29(2)8-10-3
    0/h4-6,11-15,31H,7-10,16H
    2,1-3H3,(H2,25,26,27,28);
    WKJVLTJTBZVAKC-UHFFFAOYSA-N    		 CN1CCN(CC1)c2cc(Nc3ncc(C)c(Nc4cccc(CO)c4
    )n3)cc(c2)[S](C)(=O)=O; Cc1cnc(nc1Nc2ccc
    c(c2)CO)Nc3cc(cc(c3)S(=O)(=O)C)N4CCN(CC4
    )C    		 [3-[[5-methyl-2-[[3-(4-methylpiperazin-1-yl)-5-methylsulfonyl-phenyl]amino]pyrimidin-4-yl]amino]phenyl]methanol
    14845 BFL
    DB02047
    ZINC000000000361    		 2 C15 H14 O2 InChI=1S/C15H14O2/c1-11(1
    5(16)17)12-7-9-14(10-8-12
    )13-5-3-2-4-6-13/h2-11H,1
    H3,(H,16,17)/t11-/m0/s1;
    JALUUBQFLPUJMY-NSHDSACASA-N    		 C[C@H](C(O)=O)c1ccc(cc1)c2ccccc2; C[C@@H
    ](c1ccc(cc1)c2ccccc2)C(=O)O; C[CH](C(O)=
    O)c1ccc(cc1)c2ccccc2; O=C(O)C(c2ccc(c1cc
    ccc1)cc2)C; CC(c1ccc(cc1)c2ccccc2)C(=O)O    		 2-(1,1'-BIPHENYL-4-YL)PROPANOIC ACID
    14846 BFM
    ZINC000004240965    		 2 C4 H2 F6 O3 InChI=1S/C4H2F6O3/c5-3(6,
    7)2(13,1(11)12)4(8,9)10/h
    13H,(H,11,12);
    CMQUGOHGJUTDGZ-UHFFFAOYSA-N    		 FC(F)(F)C(O)(C(=O)O)C(F)(F)F; C(=O)(C(C(
    F)(F)F)(C(F)(F)F)O)O; OC(=O)C(O)(C(F)(F)
    F)C(F)(F)F    		 3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid
    14847 BFN
    ZINC000098208697    		 1 C18 H23 F N2 O9 InChI=1S/C18H23FN2O9/c1-8
    (22)21-11-13(25)15(19)18(
    29,17(27)28)30-14(11)12(2
    4)10(23)7-20-16(26)9-5-3-
    2-4-6-9/h2-6,10-15,23-25,
    29H,7H2,1H3,(H,20,26)(H,2
    1,22)(H,27,28)/t10-,11-,1
    2-,13-,14-,15-,18+/m1/s1;
    MROQLLHLBMWCPR-LQUZZVICSA-N    		 CC(=O)N[C@@H]1[C@@H](O)[C@@H](F)[C@](O)(
    O[C@H]1[C@H](O)[C@H](O)CNC(=O)c2ccccc2)C
    (O)=O; CC(=O)N[C@@H]1[C@H]([C@H]([C@](O[
    C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc2)O)O)(
    C(=O)O)O)F)O; CC(=O)NC1C(C(C(OC1C(C(CNC(
    =O)c2ccccc2)O)O)(C(=O)O)O)F)O; CC(=O)N[C
    H]1[CH](O)[CH](F)[C](O)(O[CH]1[CH](O)[CH
    ](O)CNC(=O)c2ccccc2)C(O)=O; O=C(c1ccccc1
    )NCC(O)C(O)C2OC(O)(C(=O)O)C(F)C(O)C2NC(=
    O)C    		 5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid;
    5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid;
    5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulosonic acid;
    5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-L-manno-non-2-ulosonic acid;
    5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-manno-non-2-ulosonic acid
    14848 BFO
    ZINC000098208698    		 2 C35 H43 N3 O8 InChI=1S/C35H43N3O8/c1-4-
    23(2)29(20-39)31(40)33(42
    )36-18-10-15-30(34(43)45-
    21-25-11-6-5-7-12-25)38-3
    2(41)24(3)37-35(44)46-22-
    26-16-17-27-13-8-9-14-28(
    27)19-26/h5-9,11-14,16-17
    ,19-20,23-24,29-31,40H,4,
    10,15,18,21-22H2,1-3H3,(H
    ,36,42)(H,37,44)(H,38,41)
    /t23-,24-,29-,30-,31+/m0/
    s1;
    TYMGDBRPOJUXRJ-WRYWSPJMSA-N    		 CC[C@H](C)[C@H](C=O)[C@H](C(=O)NCCC[C@@H
    ](C(=O)OCc1ccccc1)NC(=O)[C@H](C)NC(=O)OC
    c2ccc3ccccc3c2)O; CCC(C)C(C=O)C(C(=O)NCC
    CC(C(=O)OCc1ccccc1)NC(=O)C(C)NC(=O)OCc2c
    cc3ccccc3c2)O; CC[CH](C)[CH](C=O)[CH](O)
    C(=O)NCCC[CH](NC(=O)[CH](C)NC(=O)OCc1ccc
    2ccccc2c1)C(=O)OCc3ccccc3; O=CC(C(C)CC)C
    (O)C(=O)NCCCC(C(=O)OCc1ccccc1)NC(=O)C(NC
    (=O)OCc3cc2ccccc2cc3)C; CC[C@H](C)[C@H](
    C=O)[C@@H](O)C(=O)NCCC[C@H](NC(=O)[C@H](
    C)NC(=O)OCc1ccc2ccccc2c1)C(=O)OCc3ccccc3    		 benzyl N-[(naphthalen-2-ylmethoxy)carbonyl]-L-alanyl-N~5~-[(2R,3S,4S)-3-formyl-2-hydroxy-4-methylhexanoyl]-L-ornithinate
    14849 BFP 0 C6 H14 O12 P2 InChI=1/C6H14O12P2/c7-4-3
    (1-16-19(10,11)12)18-6(9,
    5(4)8)2-17-20(13,14)15/h3
    -5,7-9H,1-2H2,(H2,10,11,1
    2)(H2,13,14,15)/t3-,4-,5+
    ,6-/m1/s1/f/h10-11,13-14H;
    RNBGYGVWRKECFJ-NMAWDRIHDB    		 O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=O)O[
    C@@H]1CO[P](O)(O)=O; O[CH]1[CH](O)[C](O)
    (CO[P](O)(O)=O)O[CH]1CO[P](O)(O)=O; O=P(
    O)(O)OCC1OC(O)(COP(=O)(O)O)C(O)C1O; C(C1
    C(C(C(O1)(COP(=O)(O)O)O)O)O)OP(=O)(O)O;
    C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O
    )O)O)O)O)OP(=O)(O)O    		 BETA FRUCTOSE 1,6-DIPHOSPHATE
    14850 BFQ
    CHEMBL997
    DB00710
    ZINC000001533877    		 11 C9 H23 N O7 P2 InChI=1S/C9H23NO7P2/c1-3-
    4-5-7-10(2)8-6-9(11,18(12
    ,13)14)19(15,16)17/h11H,3
    -8H2,1-2H3,(H2,12,13,14)(
    H2,15,16,17);
    MPBVHIBUJCELCL-UHFFFAOYSA-N    		 CCCCCN(C)CCC(O)(P(=O)(O)O)P(=O)(O)O; CCC
    CC[N@](C)CCC(O)(P(=O)(O)O)P(=O)(O)O; CCC
    CCN(C)CCC(O)([P](O)(O)=O)[P](O)(O)=O; O=
    P(O)(O)C(O)(CCN(CCCCC)C)P(=O)(O)O    		 IBANDRONATE;
    [1-HYDROXY-3-(METHYL-PENTYL-AMINO)-1-PHOSPHONO-PROPYL]-PHOSPHONIC ACID
    14851 BFR
    CHEMBL39736
    DB04830
    ZINC000004097425    		 1 C6 H15 N5 InChI=1S/C6H15N5/c1-2-3-4
    -10-6(9)11-5(7)8/h2-4H2,1
    H3,(H6,7,8,9,10,11);
    XSEUMFJMFFMCIU-UHFFFAOYSA-N    		 CCCCNC(=N)N=C(N)N; C(C)CCN\C(=N)\N=C(/N)
    N; [H]/N=C(\NCCCC)/N=C(N)N    		 N-butyl-N'-(diaminomethylidene)guanidine;
    Buformin
    14852 BFS
    CHEMBL38912
    DB02880    		 4 C15 H13 Br F N O2 InChI=1S/C15H13BrFNO2/c1-
    9(10-2-4-11(16)5-3-10)18-
    15(20)13-8-12(17)6-7-14(1
    3)19/h2-9,19H,1H3,(H,18,2
    0)/t9-/m1/s1;
    KFTNEILVDDUXGR-SECBINFHSA-N    		 Brc1ccc(cc1)C(NC(=O)c2cc(F)ccc2O)C; C[CH
    ](NC(=O)c1cc(F)ccc1O)c2ccc(Br)cc2; C[C@H
    ](c1ccc(cc1)Br)NC(=O)c2cc(ccc2O)F; CC(c1
    ccc(cc1)Br)NC(=O)c2cc(ccc2O)F; C[C@@H](N
    C(=O)c1cc(F)ccc1O)c2ccc(Br)cc2    		 N-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDE
    14853 BFT
    ZINC000038792239    		 0 C19 H25 N4 O6 P S InChI=1S/C19H25N4O6PS/c1-
    13(23(12-24)11-16-10-21-1
    4(2)22-18(16)20)17(8-9-29
    -30(26,27)28)31-19(25)15-
    6-4-3-5-7-15/h3-7,10,12-1
    3,17H,8-9,11H2,1-2H3,(H2,
    20,21,22)(H2,26,27,28)/t1
    3-,17+/m0/s1;
    ZVFWYYRSRJTRQB-SUMWQHHRSA-N    		 Cc1ncc(c(n1)N)CN(C=O)C(C)C(CCOP(=O)(O)O)
    SC(=O)c2ccccc2; O=P(O)(O)OCCC(SC(=O)c1cc
    ccc1)C(N(C=O)Cc2cnc(nc2N)C)C; C[CH]([CH]
    (CCO[P](O)(O)=O)SC(=O)c1ccccc1)N(Cc2cnc(
    C)nc2N)C=O; C[C@@H]([C@@H](CCO[P](O)(O)=
    O)SC(=O)c1ccccc1)N(Cc2cnc(C)nc2N)C=O    		 S-BENZOYLTHIAMINE O-MONOPHOSPHATE;
    BENFOTIAMINE
    14854 BFU
    DB07451
    ZINC000003870489    		 1 C18 H17 Br F N3 O3 InChI=1S/C18H17BrFN3O3/c1
    -2-14(24)10-4-5-12(20)16(
    17(10)25)11-7-13(11)22-18
    (26)23-15-6-3-9(19)8-21-1
    5/h3-6,8,11,13,25H,2,7H2,
    1H3,(H2,21,22,23,26)/t11-
    ,13+/m1/s1;
    VRAJWAGCJIXJHQ-YPMHNXCESA-N    		 CCC(=O)c1ccc(c(c1O)C2CC2NC(=O)Nc3ccc(cn3
    )Br)F; CCC(=O)c1ccc(F)c([C@@H]2C[C@@H]2N
    C(=O)Nc3ccc(Br)cn3)c1O; CCC(=O)c1ccc(c(c
    1O)[C@@H]2C[C@@H]2NC(=O)Nc3ccc(cn3)Br)F;
    CCC(=O)c1ccc(F)c([CH]2C[CH]2NC(=O)Nc3cc
    c(Br)cn3)c1O; O=C(Nc1ncc(Br)cc1)NC3CC3c2
    c(F)ccc(C(=O)CC)c2O    		 1-(5-BROMO-PYRIDIN-2-YL)-3-[2-(6-FLUORO-2-HYDROXY-3-PROPIONYL-PHENYL)-CYCLOPROPYL]-UREA;
    MSC204
    14855 BFV 2 C36 H40 Cl N5 O3 S InChI=1S/C36H40ClN5O3S/c1
    -46(43,44)41-18-15-35-33(
    27-41)36(39-42(35)17-6-16
    -40-19-21-45-22-20-40)32-
    13-14-34(37)31(24-32)12-1
    1-28-9-5-10-30(23-28)26-3
    8-25-29-7-3-2-4-8-29/h2-5
    ,7-10,13-14,23-24,38H,6,1
    5-22,25-27H2,1H3;
    LIGRCXVOYJUELL-UHFFFAOYSA-N    		 C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)
    c4ccc(Cl)c(c4)C#Cc5cccc(CNCc6ccccc6)c5;
    C1COCCN1CCCn5c6c(c(c4ccc(Cl)c(C#Cc2cccc(
    c2)CNCc3ccccc3)c4)n5)CN(CC6)S(C)(=O)=O;
    CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc
    (c(c4)C#Cc5cccc(c5)CNCc6ccccc6)Cl)C1    		 N-benzyl-1-{3-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
    14856 BFW
    CHEMBL1699292
    ZINC000000540936    		 1 C9 H9 N3 O2 InChI=1S/C9H9N3O2/c13-9-1
    0-4-3-8(12-9)11-6-7-2-1-5
    -14-7/h1-5H,6H2,(H2,10,11
    ,12,13);
    PPZNKEWLJJEHRV-UHFFFAOYSA-N    		 c1cc(oc1)CNC2=CC=NC(=O)N2; O=C1NC(=CC=N1
    )NCc2occc2    		 4-N-Furfurylcytosine
    14857 BFX
    CHEMBL1088430
    ZINC000003933563    		 2 C31 H31 Br Cl F N2 O2 InChI=1S/C31H31BrClFN2O2/
    c32-28-14-11-24(34)18-30(
    28)38-17-3-4-21-7-9-22(10
    -8-21)26-15-16-35-19-27(2
    6)31(37)36(25-12-13-25)20
    -23-5-1-2-6-29(23)33/h1-2
    ,5-11,14,18,25,35H,3-4,12
    -13,15-17,19-20H2;
    GNQKDXQPKKYVIX-UHFFFAOYSA-N    		 c1ccc(c(c1)CN(C2CC2)C(=O)C3=C(CCNC3)c4cc
    c(cc4)CCCOc5cc(ccc5Br)F)Cl; Fc1ccc(Br)c(
    OCCCc2ccc(cc2)C3=C(CNCC3)C(=O)N(Cc4ccccc
    4Cl)C5CC5)c1; Clc1ccccc1CN(C(=O)C4=C(c2c
    cc(cc2)CCCOc3cc(F)ccc3Br)CCNC4)C5CC5    		 4-{4-[3-(2-bromo-5-fluorophenoxy)propyl]phenyl}-N-(2-chlorobenzyl)-N-cyclopropyl-1,2,5,6-tetrahydropyridine-3-carboxamide
    14858 BFZ
    ZINC000095921235    		 20 C21 H23 Br F N3 O InChI=1S/C21H23BrFN3O/c1-
    3-25(4-2)11-12-26-19-10-9
    -15(22)13-17(19)21(24-14-
    20(26)27)16-7-5-6-8-18(16
    )23/h5-10,13H,3-4,11-12,1
    4H2,1-2H3;
    FRXOAXNCRZNTCO-UHFFFAOYSA-N    		 CCN(CC)CCN1c2ccc(cc2C(=NCC1=O)c3ccccc3F)
    Br; CCN(CC)CCN1C(=O)CN=C(c2ccccc2F)c3cc(
    Br)ccc13; Fc3ccccc3C2=NCC(=O)N(c1c2cc(Br
    )cc1)CCN(CC)CC    		 7-BROMO-1-[2-(DIETHYLAMINO)ETHYL]-5-(2-FLUOROPHENYL)-1,3-DIHYDRO-2H-1,4-BENZODIAZEPIN-2-ONE;
    BROMOFLURAZEPAM
    14859 BG0
    CHEMBL2103852
    DB12925
    ZINC000038153934    		 4 C18 H17 Br N4 O3 InChI=1S/C18H17BrN4O3/c1-
    24-13-6-8(5-11(19)17(13)2
    5-2)14-9-3-4-12(21)15(22)
    16(9)26-18(23)10(14)7-20/
    h3-6,14H,21-23H2,1-2H3/t1
    4-/m1/s1;
    JXONINOYTKKXQQ-CQSZACIVSA-N    		 COc3cc(C1C(=C(N)Oc2c(N)c(N)ccc12)C#N)cc(
    c3OC)Br; COc1cc(cc(c1OC)Br)C2c3ccc(c(c3O
    C(=C2C#N)N)N)N; COc1cc(cc(Br)c1OC)[CH]2c
    3ccc(N)c(N)c3OC(=C2C#N)N; COc1cc(cc(Br)c
    1OC)[C@@H]2c3ccc(N)c(N)c3OC(=C2C#N)N; CO
    c1cc(cc(c1OC)Br)[C@@H]2c3ccc(c(c3OC(=C2C
    #N)N)N)N    		 (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-1-benzopyran-3-carbonitrile
    14860 BG1
    ZINC000058631258    		 0 C10 H21 N3 O6 S InChI=1S/C10H21N3O6S/c1-4
    -5-8(13(3)20(17,18)12-2)1
    0(16)19-6-7(11)9(14)15/h7
    -8,12H,4-6,11H2,1-3H3,(H,
    14,15)/t7-,8-/m0/s1;
    ORANEODMBGJMSF-YUMQZZPRSA-N    		 CCC[C@H](N(C)[S](=O)(=O)NC)C(=O)OC[C@H](
    N)C(O)=O; CCC[C@@H](C(=O)OC[C@@H](C(=O)O
    )N)[N@](C)S(=O)(=O)NC; CCC[CH](N(C)[S](=
    O)(=O)NC)C(=O)OC[CH](N)C(O)=O; O=S(=O)(N
    C)N(C(C(=O)OCC(C(=O)O)N)CCC)C; CCCC(C(=O
    )OCC(C(=O)O)N)N(C)S(=O)(=O)NC    		 O-[(2S)-2-{methyl[(methylamino)sulfonyl]amino}pentanoyl]-L-serine
    14861 BG2
    CHEMBL3246762
    ZINC000003881603    		 1 C10 H12 Br N5 O5 InChI=1S/C10H12BrN5O5/c11
    -9-13-3-6(14-10(12)15-7(3
    )20)16(9)8-5(19)4(18)2(1-
    17)21-8/h2,4-5,8,17-19H,1
    H2,(H3,12,14,15,20)/t2-,4
    -,5-,8-/m1/s1;
    ASUCSHXLTWZYBA-UMMCILCDSA-N    		 NC1=Nc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(B
    r)nc2C(=O)N1; C([C@@H]1[C@H]([C@H]([C@@H
    ](O1)n2c3c(nc2Br)C(=O)NC(=N3)N)O)O)O; NC
    1=Nc2n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
    )c(Br)nc2C(=O)N1; C(C1C(C(C(O1)n2c3c(nc2
    Br)C(=O)NC(=N3)N)O)O)O; O=C1c2nc(Br)n(c2
    N=C(N)N1)C3OC(C(O)C3O)CO    		 8-bromoguanosine
    14862 BG3
    DB02248
    ZINC000033821219    		 7 C6 H11 N O5 S InChI=1S/C6H11NO5S/c1-3-2
    -4(13(10,11)12)7-5(3)6(8)
    9/h3-5,7H,2H2,1H3,(H,8,9)
    (H,10,11,12)/t3-,4+,5-/m1
    /s1;
    PZCKFQRRNSACOM-MROZADKFSA-N    		 C[C@@H]1C[C@@H](N[C@H]1C(=O)O)S(=O)(=O)O
    ; C[CH]1C[CH](N[CH]1C(O)=O)[S](O)(=O)=O;
    O=S(=O)(O)C1NC(C(=O)O)C(C)C1; CC1CC(NC1
    C(=O)O)S(=O)(=O)O; C[C@@H]1C[C@@H](N[C@H
    ]1C(O)=O)[S](O)(=O)=O    		 3-METHYL-5-SULFO-PYRROLIDINE-2-CARBOXYLIC ACID
    14863 BG4
    DB01855
    ZINC000058626720    		 1 C7 H14 N2 O3 InChI=1S/C7H14N2O3/c1-4-3
    -5(9(2)12)8-6(4)7(10)11/h
    4-6,8,12H,3H2,1-2H3,(H,10
    ,11)/t4-,5-,6-/m1/s1;
    PGYJBAGGGAUHGV-HSUXUTPPSA-N    		 CC1CC(NC1C(=O)O)N(C)O; C[C@@H]1C[C@H](N[
    C@H]1C(=O)O)[N@](C)O; O=C(O)C1NC(N(O)C)C
    C1C; C[CH]1C[CH](N[CH]1C(O)=O)N(C)O; C[C
    @@H]1C[C@H](N[C@H]1C(O)=O)N(C)O    		 5-(HYDROXY-METHYL-AMINO)-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID
    14864 BG5
    DB02298
    ZINC000058626722    		 1 C6 H12 N2 O3 InChI=1S/C6H12N2O3/c1-3-2
    -4(8-11)7-5(3)6(9)10/h3-5
    ,7-8,11H,2H2,1H3,(H,9,10)
    /t3-,4-,5-/m1/s1;
    PEFGUPQPFCDBPY-UOWFLXDJSA-N    		 C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO; CC1CC(N
    C1C(=O)O)NO; C[C@@H]1C[C@@H](NO)N[C@H]1C
    (O)=O; C[CH]1C[CH](NO)N[CH]1C(O)=O; O=C(
    O)C1NC(NO)CC1C    		 5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID
    14865 BG6
    CHEMBL257975
    DB04122
    ZINC000003875374    		 88 C6 H13 O9 P InChI=1S/C6H13O9P/c7-3-2(
    1-14-16(11,12)13)15-6(10)
    5(9)4(3)8/h2-10H,1H2,(H2,
    11,12,13)/t2-,3-,4+,5-,6-
    /m1/s1;
    NBSCHQHZLSJFNQ-VFUOTHLCSA-N    		 O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)
    [CH]1O; C([C@@H]1[C@H]([C@@H]([C@H]([C@@
    H](O1)O)O)O)O)OP(=O)(O)O; O[C@@H]1O[C@H]
    (CO[P](O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O;
    C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O; O=P(
    O)(O)OCC1OC(O)C(O)C(O)C1O    		 6-O-phosphono-beta-D-glucopyranose;
    BETA-D-GLUCOSE-6-PHOSPHATE;
    6-O-phosphono-beta-D-glucose;
    6-O-phosphono-D-glucose;
    6-O-phosphono-glucose
    14866 BG7 2 C31 H43 F3 N6 O2 InChI=1S/C31H43F3N6O2/c1-
    21(2)16-28(41)36-19-24-18
    -23(6-7-26(24)31(32,33)34
    )30-25-20-39(29(42)17-22-
    8-11-35-12-9-22)15-10-27(
    25)40(37-30)14-5-13-38(3)
    4/h6-7,16,18,22,35H,5,8-1
    5,17,19-20H2,1-4H3,(H,36,
    41);
    YYKUWQZWTBVESL-UHFFFAOYSA-N    		 CC(=CC(=O)NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2
    )CCCN(C)C)CCN(C3)C(=O)CC4CCNCC4)C; CN(C)
    CCCn1nc(c2ccc(c(CNC(=O)C=C(C)C)c2)C(F)(F
    )F)c3CN(CCc13)C(=O)CC4CCNCC4; C1(CCNCC1)
    CC(N2CCc3c(C2)c(nn3CCCN(C)C)c4cc(c(cc4)C
    (F)(F)F)CNC(=O)\C=C(\C)C)=O    		 N-{[5-{1-[3-(dimethylamino)propyl]-5-[(piperidin-4-yl)acetyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}-2-(trifluoromethyl)phenyl]methyl}-3-methylbut-2-enamide
    14867 BG8
    ZINC000038816654    		 2 C13 H17 N O6 InChI=1S/C13H17NO6/c15-6-
    8-10(16)11(17)9(13(19)20-
    8)14-12(18)7-4-2-1-3-5-7/
    h1-5,8-11,13,15-17,19H,6H
    2,(H,14,18)/t8-,9-,10-,11
    -,13-/m1/s1;
    VSGKVJPCJOJUBP-VDWIVTDKSA-N    		 C2(C(NC(c1ccccc1)=O)C(OC(C2O)CO)O)O; c1c
    cc(cc1)C(=O)N[C@@H]2[C@H]([C@@H]([C@H](O
    [C@H]2O)CO)O)O; OC[CH]1O[CH](O)[CH](NC(=
    O)c2ccccc2)[CH](O)[CH]1O; OC[C@H]1O[C@@H
    ](O)[C@H](NC(=O)c2ccccc2)[C@@H](O)[C@@H]
    1O; c1ccc(cc1)C(=O)NC2C(C(C(OC2O)CO)O)O    		 2-(benzoylamino)-2-deoxy-beta-D-glucopyranose;
    N-benzoyl-beta-D-glucosamine;
    2-(benzoylamino)-2-deoxy-beta-D-glucose;
    2-(benzoylamino)-2-deoxy-D-glucose;
    2-(benzoylamino)-2-deoxy-glucose
    14868 BG9 0 C12 H10 O4 InChI=1S/C12H10O4/c13-11(
    14)7-5-9-3-1-2-4-10(9)6-8
    -12(15)16/h1-8H,(H,13,14)
    (H,15,16)/b7-5+,8-6+;
    ZFCNOKDRWHSHNR-KQQUZDAGSA-N    		 c1cc(c(cc1)/C=C/C(=O)O)/C=C/C(=O)O; OC(=
    O)/C=C/c1ccccc1/C=C/C(O)=O; OC(=O)C=Cc1c
    cccc1C=CC(O)=O; c1ccc(c(c1)C=CC(=O)O)C=C
    C(=O)O; c1ccc(c(c1)[C@H]=[C@H]C(O)=O)C=[
    C@H]C(O)=O    		 (2E,2'E)-3,3'-(1,2-phenylene)di(prop-2-enoic acid)
    14869 BGC
    CHEMBL1614854
    DB02379
    ZINC000003833800    		 3964 C6 H12 O6 InChI=1S/C6H12O6/c7-1-2-3
    (8)4(9)5(10)6(11)12-2/h2-
    11H,1H2/t2-,3-,4+,5-,6-/m
    1/s1;
    WQZGKKKJIJFFOK-VFUOTHLCSA-N    		 C(C1C(C(C(C(O1)O)O)O)O)O; OC[C@H]1O[C@@H
    ](O)[C@H](O)[C@@H](O)[C@@H]1O; OC[CH]1O[
    CH](O)[CH](O)[CH](O)[CH]1O; C([C@@H]1[C@
    H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O; OC1
    C(O)C(OC(O)C1O)CO    		 beta-D-glucopyranose;
    beta-D-glucose;
    D-glucose;
    glucose
    14870 BGD
    DB03483
    ZINC000098208699    		 4 C32 H34 F4 N4 O12 P2 InChI=1S/C32H34F4N4O12P2/
    c33-31(34,53(47,48)49)21-
    10-6-18(7-11-21)16-24(27(
    37)43)39-30(46)25(17-19-8
    -12-22(13-9-19)32(35,36)5
    4(50,51)52)40-29(45)23(14
    -15-26(41)42)38-28(44)20-
    4-2-1-3-5-20/h1-13,23-25H
    ,14-17H2,(H2,37,43)(H,38,
    44)(H,39,46)(H,40,45)(H,4
    1,42)(H2,47,48,49)(H2,50,
    51,52)/t23-,24-,25-/m0/s1;
    UJIWNECQGQOIKP-SDHOMARFSA-N    		 c1ccc(cc1)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C
    @@H](Cc2ccc(cc2)C(F)(F)P(=O)(O)O)C(=O)N[
    C@@H](Cc3ccc(cc3)C(F)(F)P(=O)(O)O)C(=O)N
    ; FC(F)(c1ccc(cc1)CC(C(=O)N)NC(=O)C(NC(=
    O)C(NC(=O)c2ccccc2)CCC(=O)O)Cc3ccc(cc3)C
    (F)(F)P(=O)(O)O)P(=O)(O)O; NC(=O)[C@H](C
    c1ccc(cc1)C(F)(F)[P](O)(O)=O)NC(=O)[C@H]
    (Cc2ccc(cc2)C(F)(F)[P](O)(O)=O)NC(=O)[C@
    H](CCC(O)=O)NC(=O)c3ccccc3; c1ccc(cc1)C(
    =O)NC(CCC(=O)O)C(=O)NC(Cc2ccc(cc2)C(F)(F
    )P(=O)(O)O)C(=O)NC(Cc3ccc(cc3)C(F)(F)P(=
    O)(O)O)C(=O)N; NC(=O)[CH](Cc1ccc(cc1)C(F
    )(F)[P](O)(O)=O)NC(=O)[CH](Cc2ccc(cc2)C(
    F)(F)[P](O)(O)=O)NC(=O)[CH](CCC(O)=O)NC(
    =O)c3ccccc3    		 N-BENZOYL-L-GLUTAMYL-[4-PHOSPHONO(DIFLUOROMETHYL)]-L-PHENYLALANINE-[4-PHOSPHONO(DIFLUORO-METHYL)]-L-PHENYLALANINEAMIDE;
    4-BENZOYLAMINO-4-{1-{1-CARBAMOYL-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-2-[4-(DIFLUORO-PHOSPHONO-METHYL)-PHENYL]-ETHYLCARBAMOYL}-BUTYRIC ACID
    14871 BGE 4 C19 H21 N5 O InChI=1S/C19H21N5O/c1-14-
    19(22-13-21-14)15-6-7-20-
    18(12-15)23-16-2-4-17(5-3
    -16)24-8-10-25-11-9-24/h2
    -7,12-13H,8-11H2,1H3,(H,2
    0,23)(H,21,22);
    KJQAULYFYNEAHK-UHFFFAOYSA-N    		 Cc1c([nH]cn1)c2ccnc(c2)Nc3ccc(cc3)N4CCOC
    C4; Cc1nc[nH]c1c2ccnc(Nc3ccc(cc3)N4CCOCC
    4)c2    		 4-(4-methyl-1~{H}-imidazol-5-yl)-~{N}-(4-morpholin-4-ylphenyl)pyridin-2-amine
    14872 BGF
    CHEMBL31628    		 0 C18 H18 N4 O InChI=1S/C18H16N4O/c19-17
    (20)13-5-1-11(2-6-13)15-9
    -10-16(23-15)12-3-7-14(8-
    4-12)18(21)22/h1-10H,(H3,
    19,20)(H3,21,22)/p+2;
    ZJHZBDRZEZEDGB-UHFFFAOYSA-P    		 c1cc(ccc1c2ccc(o2)c3ccc(cc3)C(=[NH2+])N)
    C(=[NH2+])N; NC(=[NH2+])c1ccc(cc1)c2oc(c
    c2)c3ccc(cc3)C(N)=[NH2+]; o1c(ccc1c2ccc(
    \C(=[NH2+])N)cc2)c3ccc(C(=[NH2+])\N)cc3    		 2,5-BIS(4-GUANYLPHENYL)FURAN
    14873 BGG 0 C8 H8 O3 InChI=1S/C8H8O3/c9-8(10)1
    1-6-7-4-2-1-3-5-7/h1-5H,6
    H2,(H,9,10);
    NJAPCAIWQRPQPY-UHFFFAOYSA-N    		 c1ccc(cc1)COC(=O)O; O=C(OCc1ccccc1)O; OC
    (=O)OCc1ccccc1    		 CARBONIC ACID MONOBENZYL ESTER
    14874 BGH 0 C13 H20 N5 O9 P InChI=1S/C13H20N5O9P/c1-5
    (19)17-4-18(10-7(17)11(21
    )16-13(14)15-10)12-9(25-2
    )8(20)6(27-12)3-26-28(22,
    23)24/h6,8-9,12,20H,3-4H2
    ,1-2H3,(H2,22,23,24)(H3,1
    4,15,16,21)/t6-,8-,9-,12-
    /m1/s1;
    RRIGHVHFMJOEOI-WOUKDFQISA-N    		 CO[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N
    2CN(C(C)=O)C3=C2N=C(N)NC3=O; CC(=O)N1CN(
    C2=C1C(=O)NC(=N2)N)[C@H]3[C@@H]([C@@H]([
    C@H](O3)COP(=O)(O)O)O)OC; CC(=O)N1CN(C2=
    C1C(=O)NC(=N2)N)C3C(C(C(O3)COP(=O)(O)O)O
    )OC; CO[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)
    =O)O[C@H]1N2CN(C(C)=O)C3=C2N=C(N)NC3=O    		 [(2~{R},3~{R},4~{R},5~{R})-5-(2-azanyl-7-ethanoyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate
    14875 BGI
    CHEMBL35306
    DB12939
    ZINC000029246385    		 8 C20 H25 N5 O10 InChI=1S/C20H25N5O10/c1-7
    (13(28)9-3-2-8(26)6-22-9)
    11(21)17(31)24-12(19(32)3
    3)16-14(29)15(30)18(35-16
    )25-5-4-10(27)23-20(25)34
    /h2-7,11-16,18,26,28-30H,
    21H2,1H3,(H,24,31)(H,32,3
    3)(H,23,27,34)/t7-,11-,12
    -,13-,14-,15+,16+,18+/m0/
    s1;
    WWJFFVUVFNBJTN-VHDFTHOZSA-N    		 C[CH]([CH](N)C(=O)N[CH]([CH]1O[CH]([CH](
    O)[CH]1O)N2C=CC(=O)NC2=O)C(O)=O)[CH](O)c
    3ccc(O)cn3; C[C@@H]([C@H](N)C(=O)N[C@@H]
    ([C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O
    )NC2=O)C(O)=O)[C@H](O)c3ccc(O)cn3; Oc1cc
    c(nc1)C(O)C(C)C(N)C(=O)NC(C1OC(N2C=CC(=O
    )NC2=O)C(O)C1O)C(=O)O; CC(C(c1ccc(cn1)O)
    O)C(C(=O)NC(C2C(C(C(O2)N3C=CC(=O)NC3=O)O
    )O)C(=O)O)N; C[C@H]([C@@H](c1ccc(cn1)O)O
    )[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H](
    [C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(=O)O)N    		 (2S)-{[(2S,3S,4S)-2-amino-4-hydroxy-4-(5-hydroxypyridin-2-yl)-3-methylbutanoyl]amino}[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid (non-preferred name);
    Nikkomycin Z
    14876 BGJ 2 C39 H44 Cl2 N6 O2 S InChI=1S/C39H44Cl2N6O2S/c
    1-50(48,49)46-20-17-38-36
    (28-46)39(43-47(38)19-2-1
    8-44-21-23-45(24-22-44)35
    -14-15-35)33-11-16-37(41)
    32(25-33)10-7-29-3-5-30(6
    -4-29)26-42-27-31-8-12-34
    (40)13-9-31/h3-6,8-9,11-1
    3,16,25,35,42H,2,14-15,17
    -24,26-28H2,1H3;
    HQHJSIFCCGLWGY-UHFFFAOYSA-N    		 CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCN(CC3)C4CC
    4)c5ccc(c(c5)C#Cc6ccc(cc6)CNCc7ccc(cc7)C
    l)Cl)C1; C7C(N1CCN(CC1)CCCn5c6c(c(c2cc(c
    (cc2)Cl)C#Cc4ccc(CNCc3ccc(cc3)Cl)cc4)n5)
    CN(CC6)S(C)(=O)=O)C7; C[S](=O)(=O)N1CCc2
    n(CCCN3CCN(CC3)C4CC4)nc(c5ccc(Cl)c(c5)C#
    Cc6ccc(CNCc7ccc(Cl)cc7)cc6)c2C1    		 1-{4-[(2-chloro-5-{1-[3-(4-cyclopropylpiperazin-1-yl)propyl]-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}-N-[(4-chlorophenyl)methyl]methanamine
    14877 BGK 1 C13 H8 N2 O2 S InChI=1S/C13H8N2O2S/c16-8
    -9-3-5-10(6-4-9)17-13-15-
    12-11(18-13)2-1-7-14-12/h
    1-8H;
    MIXDMADWNWRCQX-UHFFFAOYSA-N    		 c1cc2c(nc1)nc(s2)Oc3ccc(cc3)C=O; O=Cc1cc
    c(Oc2sc3cccnc3n2)cc1    		 4-([1,3]thiazolo[4,5-b]pyridin-2-yloxy)benzaldehyde
    14878 BGL
    DB03152
    ZINC000015651153    		 0 C14 H28 O6 InChI=1S/C14H28O6/c1-2-3-
    4-5-6-7-8-19-13-12(17)11(
    16)10(9-15)20-14(13)18/h1
    0-18H,2-9H2,1H3/t10-,11-,
    12+,13-,14-/m1/s1;
    BVHPDIWLWHHJPD-RKQHYHRCSA-N    		 CCCCCCCCO[C@@H]1[C@H]([C@@H]([C@H](O[C@H
    ]1O)CO)O)O; CCCCCCCCO[CH]1[CH](O)O[CH](C
    O)[CH](O)[CH]1O; CCCCCCCCO[C@H]1[C@H](O)
    O[C@H](CO)[C@@H](O)[C@@H]1O; O(CCCCCCCC)
    C1C(O)C(O)C(OC1O)CO; CCCCCCCCOC1C(C(C(OC
    1O)CO)O)O    		 2-O-octyl-beta-D-glucopyranose;
    2-O-octyl-beta-D-glucose;
    2-O-octyl-D-glucose;
    2-O-octyl-glucose
    14879 BGM 0 C10 H13 Br N5 O7 P InChI=1S/C10H13BrN5O7P/c1
    1-9-13-6-7(14-10(12)15-8(
    6)18)16(9)5-1-3(17)4(23-5
    )2-22-24(19,20)21/h3-5,17
    H,1-2H2,(H2,19,20,21)(H3,
    12,14,15,18)/t3-,4+,5+/m0
    /s1;
    KUFMHNJQBUZBPA-VPENINKCSA-N    		 C1[C@@H]([C@H](O[C@H]1n2c3c(nc2Br)C(=O)N
    C(=N3)N)COP(=O)(O)O)O; NC1=Nc2n([CH]3C[C
    H](O)[CH](CO[P](O)(O)=O)O3)c(Br)nc2C(=O)
    N1; NC1=Nc2n([C@H]3C[C@H](O)[C@@H](CO[P]
    (O)(O)=O)O3)c(Br)nc2C(=O)N1; C1C(C(OC1n2
    c3c(nc2Br)C(=O)NC(=N3)N)COP(=O)(O)O)O; O
    =P(O)(O)OCC1OC(CC1O)n1c(Br)nc2c1N=C(N)NC
    2=O    		 8-BROMO-2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE
    14880 BGN
    CHEMBL1231320
    ZINC000005972854    		 2 C10 H19 N O6 InChI=1S/C10H19NO6/c1-2-3
    -6(13)11-7-9(15)8(14)5(4-
    12)17-10(7)16/h5,7-10,12,
    14-16H,2-4H2,1H3,(H,11,13
    )/t5-,7-,8-,9-,10-/m1/s1;
    RPJMPMDUKSRLLF-QXOHVQIXSA-N    		 CCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H
    ]1O)CO)O)O; CCCC(=O)NC1C(C(C(OC1O)CO)O)O
    ; CCCC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[
    CH]1O; O=C(NC1C(O)C(O)C(OC1O)CO)CCC; CCC
    C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[
    C@@H]1O    		 2-(butanoylamino)-2-deoxy-beta-D-glucopyranose;
    N-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDE;
    N-BUTANOYL-GLUCOSAMINE;
    N-butanoyl-beta-D-glucosamine;
    2-(butanoylamino)-2-deoxy-beta-D-glucose;
    2-(butanoylamino)-2-deoxy-D-glucose;
    2-(butanoylamino)-2-deoxy-glucose
    14881 BGO
    CHEMBL398769
    ZINC000044137940    		 2 C18 H22 N6 O12 P2 InChI=1S/C18H22N6O12P2/c1
    -20-9-5-3-2-4-8(9)17(27)3
    5-13-10(6-33-38(31,32)36-
    37(28,29)30)34-16(12(13)2
    5)24-7-21-11-14(24)22-18(
    19)23-15(11)26/h2-5,7,10,
    12-13,16,20,25H,6H2,1H3,(
    H,31,32)(H2,28,29,30)(H3,
    19,22,23,26)/t10-,12-,13-
    ,16-/m1/s1;
    DAJQUPOUYBWRQQ-XNIJJKJLSA-N    		 CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3N=C(N
    C4=O)N)COP(=O)(O)OP(=O)(O)O; CNc1ccccc1C
    (=O)O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P]
    (O)(=O)O[P](O)(O)=O)n3cnc4C(=O)NC(=Nc34)
    N; CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH
    ]2CO[P](O)(=O)O[P](O)(O)=O)n3cnc4C(=O)NC
    (=Nc34)N; CNc1ccccc1C(=O)O[C@@H]2[C@H](O
    [C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@
    ](=O)(O)OP(=O)(O)O; O=P(O)(O)OP(=O)(O)OC
    C4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3c
    cccc3NC    		 3'-O-(N-methylanthraniloyl)guanosine-5'-diphosphate
    14882 BGP
    DB02312
    ZINC000004095545    		 10 C6 H13 O9 P InChI=1S/C6H13O9P/c7-3-2(
    1-14-16(11,12)13)15-6(10)
    5(9)4(3)8/h2-10H,1H2,(H2,
    11,12,13)/t2-,3+,4+,5-,6-
    /m1/s1;
    NBSCHQHZLSJFNQ-FPRJBGLDSA-N    		 O[CH]1O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)
    [CH]1O; O[C@@H]1O[C@H](CO[P](O)(O)=O)[C@
    H](O)[C@H](O)[C@H]1O; C([C@@H]1[C@@H]([C
    @@H]([C@H]([C@@H](O1)O)O)O)O)OP(=O)(O)O;
    C(C1C(C(C(C(O1)O)O)O)O)OP(=O)(O)O; O=P(
    O)(O)OCC1OC(O)C(O)C(O)C1O    		 6-O-phosphono-beta-D-galactopyranose;
    BETA-GALACTOSE-6-PHOSPHATE;
    6-O-phosphono-beta-D-galactose;
    6-O-phosphono-D-galactose;
    6-O-phosphono-galactose
    14883 BGQ
    ZINC000001690069    		 4 C4 H9 O3 InChI=1S/C4H10O3/c5-2-1-4
    (7)3-6/h4-7H,1-3H2/t4-/m1
    /s1;
    ARXKVVRQIIOZGF-SCSAIBSYSA-N    		 [O]C[CH](O)CCO; OCC(O)CCO; [O]C[C@H](O)C
    CO; C(CO)C(C[O])O; C(CO)[C@H](C[O])O    		 2-HYDROXY BUTANE-1,4-DIOL
    14884 BGR
    ZINC000263620836    		 0 C10 H16 B N5 O6 P InChI=1S/C10H16BN5O6P/c11
    -23(19,20)21-2-5-4(17)1-6
    (22-5)16-3-13-7-8(16)14-1
    0(12)15-9(7)18/h3-6,17H,1
    -2H2,11H3,(H,19,20)(H3,12
    ,14,15,18)/q-1/t4-,5+,6+/
    m0/s1;
    OGYNVDIIXYYPGI-KVQBGUIXSA-N    		 [BH3-][P](O)(=O)OC[C@H]1O[C@H](C[C@@H]1O
    )n2cnc3C(=O)NC(=Nc23)N; [BH3-][P](O)(=O)
    OC[CH]1O[CH](C[CH]1O)n2cnc3C(=O)NC(=Nc23
    )N; [BH3-]P(=O)(O)OCC1C(CC(O1)n2cnc3c2N=
    C(NC3=O)N)O; [BH3-]P(=O)(O)OC[C@@H]1[C@H
    ](C[C@@H](O1)n2cnc3c2N=C(NC3=O)N)O    		 [[(2R,3S,5R)-5-(2-azanyl-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]boranuide
    14885 BGS
    ZINC000016051802    		 4 C8 H16 O7 S InChI=1S/C8H16O7S/c1-2-16
    (13,14)8-7(12)6(11)5(10)4
    (3-9)15-8/h4-12H,2-3H2,1H
    3/t4-,5-,6+,7-,8+/m1/s1;
    OFMOVPVQFRZDRQ-CBQIKETKSA-N    		 CC[S](=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[
    C@H](O)[C@H]1O; CCS(=O)(=O)C1C(C(C(C(O1)
    CO)O)O)O; CC[S](=O)(=O)[CH]1O[CH](CO)[CH
    ](O)[CH](O)[CH]1O; O=S(=O)(C1OC(C(O)C(O)
    C1O)CO)CC; CCS(=O)(=O)[C@H]1[C@@H]([C@H]
    ([C@@H]([C@H](O1)CO)O)O)O    		 (1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol;
    BETA-D-GLUCOPYRANOSYLSULFONYLETHANE
    14886 BGT
    DB04636
    ZINC000053683597    		 2 C9 H18 N2 O3 InChI=1S/C9H18N2O3/c1-9(2
    ,3)14-8(13)6(10)4-5-7(11)
    12/h6H,4-5,10H2,1-3H3,(H2
    ,11,12)/t6-/m0/s1;
    VVOPSEUXHSUTJS-LURJTMIESA-N    		 CC(C)(C)OC(=O)[C@@H](N)CCC(N)=O; CC(C)(C
    )OC(=O)[CH](N)CCC(N)=O; CC(C)(C)OC(=O)C(
    CCC(=O)N)N; CC(C)(C)OC(=O)[C@H](CCC(=O)N
    )N; O=C(OC(C)(C)C)C(N)CCC(=O)N    		 TERT-BUTYL D-ALPHA-GLUTAMINATE;
    GLUTAMINE T-BUTYL ESTER
    14887 BGU
    DB07452    		 1 C9 H8 N6 O InChI=1S/C9H8N6O/c10-8-13
    -5-1-3-4(2-6(5)14-8)12-9(
    11)15-7(3)16/h1-2H,(H3,10
    ,13,14)(H3,11,12,15,16);
    WFECBOHPSURSGU-UHFFFAOYSA-N    		 c1c2c(cc3c1[nH]c(n3)N)N=C(NC2=O)N; NC1=N
    c2cc3nc(N)[nH]c3cc2C(=O)N1; O=C1c3c(N=C(
    N1)N)cc2nc(N)nc2c3    		 2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
    2-Amino-lin-Benzogunaine
    14888 BGV
    CHEMBL486997    		 2 C17 H20 O5 InChI=1S/C17H20O5/c1-8-7-
    12-14(9(2)16(20)22-12)15(
    21-10(3)18)17(4)11(8)5-6-
    13(17)19/h5-6,8,11-12,14-
    15H,2,7H2,1,3-4H3/t8-,11+
    ,12+,14-,15+,17+/m1/s1;
    DCNRYQODUSSOKC-MMLVVLEOSA-N    		 C[C@@H]1C[C@H]2[C@H]([C@@H]([C@]3([C@H]1
    C=CC3=O)C)OC(=O)C)C(=C)C(=O)O2; C[CH]1C[
    CH]2OC(=O)C(=C)[CH]2[CH](OC(C)=O)[C]3(C)
    [CH]1C=CC3=O; O=C1C=CC2C(CC3OC(=O)\C(=C)
    C3C(OC(=O)C)C12C)C; CC1CC2C(C(C3(C1C=CC3
    =O)C)OC(=O)C)C(=C)C(=O)O2; C[C@@H]1C[C@@
    H]2OC(=O)C(=C)[C@H]2[C@H](OC(C)=O)[C@@]3
    (C)[C@H]1C=CC3=O    		 (3aR,4S,4aR,7aR,8R,9aS)-4a,8-dimethyl-3-methylidene-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl acetate;
    bigelovin
    14889 BGW
    CHEMBL481280    		 1 C20 H20 N2 O3 S InChI=1S/C20H20N2O3S/c23-
    19(24)15-9-11-22(12-10-15
    )13-14-5-7-16(8-6-14)25-2
    0-21-17-3-1-2-4-18(17)26-
    20/h1-8,15H,9-13H2,(H,23,
    24);
    BUZBVOKDNAZIIM-UHFFFAOYSA-N    		 OC(=O)C1CCN(CC1)Cc2ccc(Oc3sc4ccccc4n3)cc
    2; c1ccc2c(c1)nc(s2)Oc3ccc(cc3)CN4CCC(CC
    4)C(=O)O    		 1-[[4-(1,3-benzothiazol-2-yloxy)phenyl]methyl]piperidine-4-carboxylic acid
    14890 BGX
    DB03930
    ZINC000012504035    		 0 C6 H9 N O2 InChI=1S/C6H9NO2/c1-4-2-3
    -7-5(4)6(8)9/h2-5,7H,1H3,
    (H,8,9)/t4-,5-/m1/s1;
    ZVJPMCWYCLEWPG-RFZPGFLSSA-N    		 C[C@@H]1C=CN[C@H]1C(O)=O; C[CH]1C=CN[CH]
    1C(O)=O; O=C(O)C1NC=CC1C; C[C@@H]1C=CN[C
    @H]1C(=O)O; CC1C=CNC1C(=O)O    		 4-METHYL-PYRROLINE-5-CARBOXYLIC ACID
    14891 BGY 2 C31 H43 Cl I N5 O4 InChI=1S/C31H43ClIN5O4/c1
    -31(2,3)42-30(40)36-12-7-
    22(8-13-36)19-28(39)37-14
    -9-27-24(21-37)29(23-5-6-
    25(32)26(33)20-23)34-38(2
    7)11-4-10-35-15-17-41-18-
    16-35/h5-6,20,22H,4,7-19,
    21H2,1-3H3;
    ZBMNZIVATWUSMD-UHFFFAOYSA-N    		 C(CCn2c3c(c(c1cc(c(cc1)Cl)I)n2)CN(CC3)C(
    =O)CC4CCN(CC4)C(=O)OC(C)(C)C)N5CCOCC5; C
    C(C)(C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3c(c(n
    n3CCCN4CCOCC4)c5ccc(c(c5)I)Cl)C2; CC(C)(
    C)OC(=O)N1CCC(CC1)CC(=O)N2CCc3n(CCCN4CCO
    CC4)nc(c5ccc(Cl)c(I)c5)c3C2    		 tert-butyl 4-(2-{3-(4-chloro-3-iodophenyl)-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
    14892 BGZ
    ZINC000042880666    		 1 C30 H48 O8 InChI=1S/C30H48O8/c1-8-24
    (33)21(5)29-25(37-29)16-1
    8(2)10-9-11-19(3)28-20(4)
    12-13-26(36-22(6)31)30(7,
    35)15-14-23(32)17-27(34)3
    8-28/h9-13,18,20-21,23-26
    ,28-29,32-33,35H,8,14-17H
    2,1-7H3/b10-9+,13-12+,19-
    11+/t18-,20+,21-,23-,24+,
    25-,26+,28-,29-,30-/m1/s1;
    SDOUORKJIJYJNW-QHOUZYGJSA-N    		 CC[C@H](O)[C@@H](C)[C@H]1O[C@@H]1C[C@H](
    C)\C=C\C=C(/C)[C@H]2OC(=O)C[C@H](O)CC[C@
    @](C)(O)[C@@H](OC(C)=O)\C=C\[C@@H]2C; CC
    C(C(C)C1C(O1)CC(C)C=CC=C(C)C2C(C=CC(C(CC
    C(CC(=O)O2)O)(C)O)OC(=O)C)C)O; CC[C@@H](
    [C@@H](C)[C@@H]1[C@H](O1)C[C@H](C)/C=C/C
    =C(\C)/[C@@H]2[C@H](/C=C/[C@@H]([C@](CC[
    C@H](CC(=O)O2)O)(C)O)OC(=O)C)C)O; CC[CH]
    (O)[CH](C)[CH]1O[CH]1C[CH](C)C=CC=C(C)[C
    H]2OC(=O)C[CH](O)CC[C](C)(O)[CH](OC(C)=O
    )C=C[CH]2C
    14893 BH0
    CHEMBL362811
    DB03141
    ZINC000014880632    		 2 C32 H30 N4 O6 S InChI=1S/C32H30N4O6S/c33-
    19-26-7-4-8-29(17-26)43(4
    1,42)36-22-31(39)30(18-23
    -5-2-1-3-6-23)34(20-24-9-
    13-27(37)14-10-24)32(40)3
    5(36)21-25-11-15-28(38)16
    -12-25/h1-17,30-31,37-39H
    ,18,20-22H2/t30-,31-/m1/s
    1;
    UYUWNNRWESUYOB-FIRIVFDPSA-N    		 c1ccc(cc1)C[C@@H]2[C@@H](CN(N(C(=O)N2Cc3
    ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cccc(c
    5)C#N)O; O[CH]1CN(N(Cc2ccc(O)cc2)C(=O)N(
    Cc3ccc(O)cc3)[CH]1Cc4ccccc4)[S](=O)(=O)c
    5cccc(c5)C#N; c1ccc(cc1)CC2C(CN(N(C(=O)N
    2Cc3ccc(cc3)O)Cc4ccc(cc4)O)S(=O)(=O)c5cc
    cc(c5)C#N)O; O=S(=O)(c1cccc(C#N)c1)N2N(C
    (=O)N(C(C(O)C2)Cc3ccccc3)Cc4ccc(O)cc4)Cc
    5ccc(O)cc5; O[C@@H]1CN(N(Cc2ccc(O)cc2)C(
    =O)N(Cc3ccc(O)cc3)[C@@H]1Cc4ccccc4)[S](=
    O)(=O)c5cccc(c5)C#N    		 3-({5-BENZYL-6-HYDROXY-2,4-BIS-(4-HYDROXY-BENZYL)-3-OXO-[1,2,4]-TRIAZEPANE-1-SULFONYL)-BENZONITRILE
    14894 BH1 0 C55 H78 N4 O6 InChI=1S/C55H78N4O6/c1-13
    -39-34(7)41-29-46-48(38(1
    1)60)36(9)43(57-46)27-42-
    35(8)40(52(58-42)50-51(55
    (63)64-12)54(62)49-37(10)
    44(59-53(49)50)28-45(39)5
    6-41)23-24-47(61)65-26-25
    -33(6)22-16-21-32(5)20-15
    -19-31(4)18-14-17-30(2)3/
    h25,27-32,34-35,39-40,51,
    56-59H,13-24,26H2,1-12H3/
    b33-25+,41-29-,42-27-,45-
    28-,52-50-/t31-,32-,34-,3
    5+,39-,40+,51-/m1/s1;
    DHJJQDBRYIGLJP-URFYWZFGSA-N    		 CC[CH]1[CH](C)C2=Cc3[nH]c(C=C4NC(=C5[CH]
    (C(=O)OC)C(=O)c6c(C)c([nH]c56)C=C1N2)[CH
    ](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCC
    C(C)C)[CH]4C)c(C)c3C(C)=O; O=C(OC)C3C(=O
    )c2c(c1C=C6NC(=Cc5nc(C=C4NC(=C3c2n1)C(C4
    C)CCC(=O)OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)
    C)c(c5C(=O)C)C)C(C)C6CC)C; CCC1C(C2=Cc3c
    (c(c([nH]3)C=C4C(C(C(=C5c6c(c(c([nH]6)C=
    C1N2)C)C(=O)C5C(=O)OC)N4)CCC(=O)OCC=C(C)
    CCCC(C)CCCC(C)CCCC(C)C)C)C)C(=O)C)C; CC[
    C@@H]\1[C@H](/C/2=C/c3c(c(c([nH]3)/C=C\4
    /[C@H]([C@@H](/C(=C\5/c6c(c(c([nH]6)/C=C
    1\N2)C)C(=O)[C@@H]5C(=O)OC)/N4)CCC(=O)OC
    /C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)
    C)C)C(=O)C)C; CC[C@@H]/1[C@@H](C)\C2=C\c
    3[nH]c(\C=C\4NC(=C5/[C@@H](C(=O)OC)C(=O)
    c6c(C)c([nH]c56)\C=C/1N2)/[C@@H](CCC(=O)
    OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
    )[C@@H]\4C)c(C)c3C(C)=O    		 BACTERIOPHEOPHYTIN
    14895 BH2
    CHEMBL3317781
    DB03640
    ZINC000000901877    		 4 C4 H7 N O5 InChI=1S/C4H7NO5/c5-1(3(7
    )8)2(6)4(9)10/h1-2,6H,5H2
    ,(H,7,8)(H,9,10)/t1-,2+/m
    0/s1;
    YYLQUHNPNCGKJQ-NHYDCYSISA-N    		 O=C(O)C(O)C(C(=O)O)N; [C@H]([C@H](C(=O)O
    )O)(C(=O)O)N; C(C(C(=O)O)O)(C(=O)O)N; N[
    C@@H]([C@@H](O)C(O)=O)C(O)=O; N[CH]([CH]
    (O)C(O)=O)C(O)=O    		 (3R)-3-hydroxy-L-aspartic acid
    14896 BH3
    CHEMBL2338383    		 5 C20 H40 N2 O6 P2 InChI=1S/C20H40N2O6P2/c1-
    2-3-4-5-6-7-8-9-10-11-12-
    13-14-15-21-16-17-22(19-2
    1)18-20(29(23,24)25)30(26
    ,27)28/h16-17,19-20H,2-15
    ,18H2,1H3,(H3-,23,24,25,2
    6,27,28);
    VYLDLVZXAPQHHS-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCC[n+]1ccn(c1)CC(P(=O)(O)O)
    P(=O)(O)[O-]; CCCCCCCCCCCCCCC[n+]1ccn(c1
    )C[C@@H](P(=O)(O)O)P(=O)(O)[O-]; CCCCCCC
    CCCCCCCC[n+]1ccn(C[C@@H]([P](O)(O)=O)[P]
    (O)([O-])=O)c1; CCCCCCCCCCCCCCC[n+]1ccn(
    C[CH]([P](O)(O)=O)[P](O)([O-])=O)c1; [O-
    ]P(=O)(O)C(P(=O)(O)O)Cn1cc[n+](c1)CCCCCC
    CCCCCCCCC    		 hydrogen [(1R)-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
    14897 BH4 0 C9 H15 N5 O3 InChI=1/C9H15N5O3/c1-3(15
    )6(16)4-2-11-7-5(12-4)8(1
    7)14-9(10)13-7/h3-4,6,12,
    15-16H,2H2,1H3,(H4,10,11,
    13,14,17)/t3-,4+,6-/m0/s1
    /f/h11,14H,10H2;
    FNKQXYHWGSIFBK-OAVKMHILDB    		 O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C; CC(C(
    C1CNC2=C(N1)C(=O)NC(=N2)N)O)O; C[C@@H]([
    C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O;
    C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)N
    C(=N2)N; C[CH](O)[CH](O)[CH]1CNC2=C(N1)C
    (=O)NC(=N2)N    		 (6R,1'R,2'S)-5,6,7,8 TETRAHYDROBIOPTERIN
    14898 BH5
    CHEMBL2338367    		 6 C20 H40 N2 O7 P2 InChI=1S/C20H40N2O7P2/c1-
    2-3-4-5-6-7-8-9-10-11-12-
    13-14-15-21-16-17-22(19-2
    1)18-20(23,30(24,25)26)31
    (27,28)29/h16-17,19,23H,2
    -15,18H2,1H3,(H3-,24,25,2
    6,27,28,29);
    BWBSGQBVVSKFMY-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCC[n+]1ccn(c1)C[C@](O)(P(=O
    )(O)O)P(=O)(O)[O-]; CCCCCCCCCCCCCCC[n+]1
    ccn(C[C](O)([P](O)(O)=O)[P](O)([O-])=O)c
    1; [O-]P(=O)(O)C(O)(P(=O)(O)O)Cn1cc[n+](
    c1)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCC[n+]1
    ccn(c1)CC(O)(P(=O)(O)O)P(=O)(O)[O-]; CCC
    CCCCCCCCCCCC[n+]1ccn(C[C@](O)([P](O)(O)=
    O)[P](O)([O-])=O)c1    		 hydrogen [(1R)-1-hydroxy-2-(3-pentadecyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
    14899 BH6
    CHEMBL2035289    		 4 C8 H9 B Cl N O3 InChI=1S/C8H9BClNO3/c10-7
    -4-2-1-3-6(7)8(12)11-5-9(
    13)14/h1-4,13-14H,5H2,(H,
    11,12);
    LXIUYRUEMMFAQV-UHFFFAOYSA-N    		 B(CNC(=O)c1ccccc1Cl)(O)O; OB(O)CNC(=O)c1
    ccccc1Cl; O=C(c1ccccc1Cl)NCB(O)O    		 {[(2-chlorobenzoyl)amino]methyl}boronic acid
    14900 BH7
    DB03139
    ZINC000005185702    		 4 C16 H27 N3 O4 S InChI=1S/C16H27N3O4S/c20-
    13(17-9-5-1-2-8-14(21)22)
    7-4-3-6-12-15-11(10-24-12
    )18-16(23)19-15/h11-12,15
    H,1-10H2,(H,17,20)(H,21,2
    2)(H2,18,19,23)/t11-,12-,
    15-/m0/s1;
    CMUGHZFPFWNUQT-HUBLWGQQSA-N    		 C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCCCC
    C(=O)O)NC(=O)N2; O=C1NC2C(SCC2N1)CCCCC(=
    O)NCCCCCC(=O)O; C1C2C(C(S1)CCCCC(=O)NCCC
    CCC(=O)O)NC(=O)N2; OC(=O)CCCCCNC(=O)CCCC
    [CH]1SC[CH]2NC(=O)N[CH]12; OC(=O)CCCCCNC
    (=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12    		 E-AMINO BIOTINYL CAPROIC ACID;
    6-[5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-4-YL)-PENTANOYLAMINO]-HEXANOIC ACID
    14901 BH8
    CHEMBL2338378    		 6 C15 H30 N2 O6 P2 InChI=1S/C15H30N2O6P2/c1-
    2-3-4-5-6-7-8-9-10-16-11-
    12-17(14-16)13-15(24(18,1
    9)20)25(21,22)23/h11-12,1
    4-15H,2-10,13H2,1H3,(H3-,
    18,19,20,21,22,23);
    GYTSEUQBLYSXFG-UHFFFAOYSA-N    		 CCCCCCCCCC[n+]1ccn(C[CH]([P](O)(O)=O)[P]
    (O)([O-])=O)c1; CCCCCCCCCC[n+]1ccn(c1)CC
    (P(=O)(O)O)P(=O)(O)[O-]; CCCCCCCCCC[n+]1
    ccn(C[C@H]([P](O)(O)=O)[P](O)([O-])=O)c1
    ; [O-]P(=O)(O)C(P(=O)(O)O)Cn1cc[n+](c1)C
    CCCCCCCCC    		 hydrogen [(1S)-2-(3-decyl-1H-imidazol-3-ium-1-yl)-1-phosphonoethyl]phosphonate
    14902 BH9
    CHEMBL3330167
    ZINC000095920972    		 2 C21 H21 N5 O InChI=1S/C21H21N5O/c1-21(
    2,3)17-7-4-14(5-8-17)20(2
    7)25-18-13-26-12-15(6-9-1
    9(26)24-18)16-10-22-23-11
    -16/h4-13H,1-3H3,(H,22,23
    )(H,25,27);
    XBKNNPZVSZKDRB-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cc1)C(=O)Nc2cn3cc(ccc3n2)c
    4c[nH]nc4; O=C(c1ccc(cc1)C(C)(C)C)Nc4nc3
    n(cc(c2cnnc2)cc3)c4    		 4-tert-butyl-N-[6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-2-yl]benzamide
    14903 BHA
    CHEMBL1169
    DB00233
    ZINC000000000922    		 5 C7 H7 N O3 InChI=1S/C7H7NO3/c8-4-1-2
    -5(7(10)11)6(9)3-4/h1-3,9
    H,8H2,(H,10,11);
    WUBBRNOQWQTFEX-UHFFFAOYSA-N    		 c1cc(c(cc1N)O)C(=O)O; O=C(O)c1ccc(cc1O)N
    ; Nc1ccc(C(O)=O)c(O)c1    		 2-HYDROXY-4-AMINOBENZOIC ACID
    14904 BHB
    DB04004
    ZINC000005848665    		 1 C13 H19 N5 O S InChI=1S/C13H19N5OS/c1-18
    (2)3-4-20-7-8-5-9(14)6-10
    -11(8)16-13(15)17-12(10)1
    9/h5-6H,3-4,7,14H2,1-2H3,
    (H3,15,16,17,19);
    FDIXHXDLCOSDFY-UHFFFAOYSA-N    		 CN(C)CCSCc1cc(cc2c1N=C(NC2=O)N)N; CN(C)C
    CSCc1cc(N)cc2C(=O)NC(=Nc12)N; O=C1c2c(N=
    C(N1)N)c(cc(N)c2)CSCCN(C)C    		 2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-3H-QUINAZOLIN-4-ONE
    14905 BHC
    CHEMBL1231329
    DB01681
    ZINC000003871689    		 6 C12 H6 O12 InChI=1S/C12H6O12/c13-7(1
    4)1-2(8(15)16)4(10(19)20)
    6(12(23)24)5(11(21)22)3(1
    )9(17)18/h(H,13,14)(H,15,
    16)(H,17,18)(H,19,20)(H,2
    1,22)(H,23,24);
    YDSWCNNOKPMOTP-UHFFFAOYSA-N    		 c1(c(c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O
    )C(=O)O)C(=O)O; OC(=O)c1c(C(O)=O)c(C(O)=
    O)c(C(O)=O)c(C(O)=O)c1C(O)=O; O=C(O)c1c(
    c(c(c(c1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O
    )O    		 BENZENE HEXACARBOXYLIC ACID
    14906 BHD
    CHEMBL1231330
    ZINC000000901878    		 0 C4 H7 N O5 InChI=1S/C4H7NO5/c5-1(3(7
    )8)2(6)4(9)10/h1-2,6H,5H2
    ,(H,7,8)(H,9,10)/t1-,2-/m
    0/s1;
    YYLQUHNPNCGKJQ-LWMBPPNESA-N    		 O=C(O)C(O)C(C(=O)O)N; [C@H]([C@@H](C(=O)
    O)O)(C(=O)O)N; C(C(C(=O)O)O)(C(=O)O)N; N
    [C@@H]([C@H](O)C(O)=O)C(O)=O; N[CH]([CH]
    (O)C(O)=O)C(O)=O    		 (3S)-3-hydroxy-L-aspartic acid;
    BETA-HYDROXYASPARTIC ACID
    14907 BHE
    ZINC000058661122    		 18 C20 H38 O10 InChI=1S/C20H38O10/c1-3-4
    -5-6-7-8-9-27-20-18(16(25
    )14(23)12(10-21)29-20)30-
    19-17(26)15(24)13(22)11(2
    )28-19/h11-26H,3-10H2,1-2
    H3/t11-,12+,13+,14-,15+,1
    6-,17-,18+,19-,20+/m0/s1;
    GTTDTLMUWQMDNA-ARNYJBIMSA-N    		 CCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH
    ]1O[CH]2O[CH](C)[CH](O)[CH](O)[CH]2O; O(
    CCCCCCCC)C2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)
    C1O)CO; CCCCCCCCO[C@H]1[C@@H]([C@H]([C@H
    ]([C@H](O1)CO)O)O)O[C@H]2[C@H]([C@@H]([C
    @@H]([C@@H](O2)C)O)O)O; CCCCCCCCOC1C(C(C
    (C(O1)CO)O)O)OC2C(C(C(C(O2)C)O)O)O; CCCC
    CCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C
    @H]1O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)
    [C@@H]2O    		 octyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside;
    H-antigen acceptor;
    alpha-L-Fucp-(1,2)-Beta-D-Galp-O(CH2)7CH3
    14908 BHF
    CHEMBL283196
    DB07453
    ZINC000000038933    		 16 C19 H12 O2 InChI=1S/C19H12O2/c20-17-
    12-18(14-7-2-1-3-8-14)21-
    19-15-9-5-4-6-13(15)10-11
    -16(17)19/h1-12H;
    VFMMPHCGEFXGIP-UHFFFAOYSA-N    		 c1ccc(cc1)C2=CC(=O)c3ccc4ccccc4c3O2; O=C
    1C=C(Oc2c1ccc3ccccc23)c4ccccc4; O=C1c4c(
    OC(=C1)c2ccccc2)c3ccccc3cc4    		 2-PHENYL-4H-BENZO[H]CHROMEN-4-ONE;
    7,8-BENZOFLAVONE;
    ALPHA-NAPHTHOFLAVONE
    14909 BHG
    DB04141
    ZINC000005973056    		 0 C12 H24 O6 InChI=1S/C12H24O6/c1-2-3-
    4-5-6-17-12-11(16)10(15)9
    (14)8(7-13)18-12/h8-16H,2
    -7H2,1H3/t8-,9+,10+,11-,1
    2-/m1/s1;
    JVAZJLFFSJARQM-YBXAARCKSA-N    		 CCCCCCO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1
    )CO)O)O)O; CCCCCCOC1C(C(C(C(O1)CO)O)O)O;
    CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O
    )[C@H]1O; CCCCCCO[CH]1O[CH](CO)[CH](O)[C
    H](O)[CH]1O; O(CCCCCC)C1OC(C(O)C(O)C1O)C
    O    		 hexyl beta-D-galactopyranoside;
    2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL;
    hexyl beta-D-galactoside;
    hexyl D-galactoside;
    hexyl galactoside
    14910 BHH
    CHEMBL308745
    DB02727
    ZINC000013536006    		 2 C5 H13 N3 O InChI=1S/C5H13N3O/c1-2-3-
    4-7-5(6)8-9/h9H,2-4H2,1H3
    ,(H3,6,7,8);
    ULDDTFAPYWLDGF-UHFFFAOYSA-N    		 CCCCNC(=N)NO; [N@H]=C(NCCCC)NO N-BUTYL-N'-HYDROXYGUANIDINE
    14911 BHI
    CHEMBL361403
    DB04170    		 4 C5 H13 Br O8 P2 InChI=1S/C5H13BrO8P2/c1-5
    (7,4-6)2-3-13-16(11,12)14
    -15(8,9)10/h7H,2-4H2,1H3,
    (H,11,12)(H2,8,9,10)/t5-/
    m1/s1;
    YKAYCWPQDPILSA-RXMQYKEDSA-N    		 C[C@@](CCO[P@](=O)(O)OP(=O)(O)O)(CBr)O;
    C[C@](O)(CBr)CCO[P@@](O)(=O)O[P](O)(O)=O
    ; O=P(OP(=O)(OCCC(O)(C)CBr)O)(O)O; CC(CC
    OP(=O)(O)OP(=O)(O)O)(CBr)O; C[C](O)(CBr)
    CCO[P](O)(=O)O[P](O)(O)=O    		 4-BROMO-3-HYDROXY-3-METHYL BUTYL DIPHOSPHATE
    14912 BHJ 1 C37 H45 Cl N6 O4 S InChI=1S/C37H45ClN6O4S/c1
    -49(46,47)43-17-12-35-32(
    26-43)36(40-44(35)16-5-13
    -41-18-20-48-21-19-41)30-
    10-11-33(38)29(23-30)9-7-
    27-6-8-28-24-34(39-25-31(
    28)22-27)37(45)42-14-3-2-
    4-15-42/h6,8,10-11,22-23,
    34,39H,2-5,12-21,24-26H2,
    1H3/t34-/m0/s1;
    BIYANWMTXPESQI-UMSFTDKQSA-N    		 C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)
    c4ccc(Cl)c(c4)C#Cc5ccc6C[C@H](NCc6c5)C(=
    O)N7CCCCC7; CS(=O)(=O)N1CCc2c(c(nn2CCCN3
    CCOCC3)c4ccc(c(c4)C#Cc5ccc6c(c5)CNC(C6)C
    (=O)N7CCCCC7)Cl)C1; CS(=O)(=O)N1CCc2c(c(
    nn2CCCN3CCOCC3)c4ccc(c(c4)C#Cc5ccc6c(c5)
    CN[C@@H](C6)C(=O)N7CCCCC7)Cl)C1; C[S](=O
    )(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)c4ccc(C
    l)c(c4)C#Cc5ccc6C[CH](NCc6c5)C(=O)N7CCCC
    C7; C7N(CCCn5c6c(c(c1ccc(c(c1)C#Cc2ccc3c
    (c2)CNC(C3)C(N4CCCCC4)=O)Cl)n5)CN(CC6)S(
    C)(=O)=O)CCOC7    		 {(3S)-7-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-1,2,3,4-tetrahydroisoquinolin-3-yl}(piperidin-1-yl)methanone
    14913 BHK
    ZINC000058631260    		 3 C12 H14 O4 InChI=1S/C12H14O4/c13-8-1
    1(14)7-10(12(15)16)6-9-4-
    2-1-3-5-9/h1-5,10,13H,6-8
    H2,(H,15,16)/t10-/m1/s1;
    HHXVRTWUQBYAFG-SNVBAGLBSA-N    		 c1ccc(cc1)C[C@H](CC(=O)CO)C(=O)O; c1ccc(
    cc1)CC(CC(=O)CO)C(=O)O; OCC(=O)C[CH](Cc1
    ccccc1)C(O)=O; OCC(=O)C[C@@H](Cc1ccccc1)
    C(O)=O; O=C(CO)CC(C(=O)O)Cc1ccccc1    		 (2R)-2-benzyl-5-hydroxy-4-oxopentanoic acid
    14914 BHL
    CHEMBL1231334
    DB04637
    ZINC000002242705    		 9 C6 H13 Br O InChI=1S/C6H13BrO/c7-5-3-
    1-2-4-6-8/h8H,1-6H2;
    FCMCSZXRVWDVAW-UHFFFAOYSA-N    		 C(CCCBr)CCO; OCCCCCCBr; BrCCCCCCO 6-BROMOHEXAN-1-OL;
    6-BROMOHEXANOL
    14915 BHM
    CHEMBL296323
    DB07454
    ZINC000013581050    		 1 C11 H10 Br F3 N2 O4 InChI=1S/C11H10BrF3N2O4/c
    1-10(19,5-12)9(18)16-6-2-
    3-8(17(20)21)7(4-6)11(13,
    14)15/h2-4,19H,5H2,1H3,(H
    ,16,18)/t10-/m0/s1;
    QDSWNDMHSBZXKX-JTQLQIEISA-N    		 CC(CBr)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=
    O)[O-])O; C[C@](CBr)(C(=O)Nc1ccc(c(c1)C(
    F)(F)F)[N+](=O)[O-])O; C[C](O)(CBr)C(=O)
    Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O; C[C@]
    (O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([
    O-])=O; O=C(Nc1cc(c(cc1)[N+]([O-])=O)C(F
    )(F)F)C(O)(C)CBr    		 (R)-3-BROMO-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
    14916 BHN
    CHEMBL282254
    ZINC000019368612    		 4 C20 H24 N2 O6 InChI=1S/C20H24N2O6/c23-1
    7-7-3-1-5-15(17)11-21(13-
    19(25)26)9-10-22(14-20(27
    )28)12-16-6-2-4-8-18(16)2
    4/h1-8,23-24H,9-14H2,(H,2
    5,26)(H,27,28);
    GRUVVLWKPGIYEG-UHFFFAOYSA-N    		 c1ccc(c(c1)CN(CCN(Cc2ccccc2O)CC(=O)O)CC(
    =O)O)O; c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc
    c2O)CC(=O)O)CC(=O)O)O; OC(=O)CN(CCN(CC(O
    )=O)Cc1ccccc1O)Cc2ccccc2O; O=C(O)CN(Cc1c
    cccc1O)CCN(Cc2ccccc2O)CC(=O)O    		 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid;
    N,N'-bis(2-hydroxybenzyl)ethylenediamine-N,N'-diacetic acid
    14917 BHO
    CHEMBL16300
    DB01924
    ZINC000004701351    		 27 C7 H7 N O2 InChI=1S/C7H7NO2/c9-7(8-1
    0)6-4-2-1-3-5-6/h1-5,10H,
    (H,8,9);
    VDEUYMSGMPQMIK-UHFFFAOYSA-N    		 O=C(NO)c1ccccc1; ONC(=O)c1ccccc1; c1ccc(
    cc1)C(=O)NO    		 BENZHYDROXAMIC ACID
    14918 BHP
    CHEMBL1084102
    DB04287
    ZINC000003966076    		 6 C31 H37 N O4 InChI=1S/C31H37NO4/c33-30
    (16-10-2-1-5-11-25-12-6-3
    -7-13-25)32-28(19-22-31(3
    4)35)23-26-17-20-29(21-18
    -26)36-24-27-14-8-4-9-15-
    27/h3-4,6-9,12-15,17-18,2
    0-21,28H,1-2,5,10-11,16,1
    9,22-24H2,(H,32,33)(H,34,
    35)/t28-/m0/s1;
    KWLUIYFCMHKLKY-NDEPHWFRSA-N    		 c1ccc(cc1)CCCCCCC(=O)NC(CCC(=O)O)Cc2ccc(
    cc2)OCc3ccccc3; c1ccc(cc1)CCCCCCC(=O)N[C
    @@H](CCC(=O)O)Cc2ccc(cc2)OCc3ccccc3; O=C
    (O)CCC(NC(=O)CCCCCCc1ccccc1)Cc3ccc(OCc2c
    cccc2)cc3; OC(=O)CC[C@@H](Cc1ccc(OCc2ccc
    cc2)cc1)NC(=O)CCCCCCc3ccccc3; OC(=O)CC[C
    H](Cc1ccc(OCc2ccccc2)cc1)NC(=O)CCCCCCc3c
    cccc3    		 (S)-5-(4-BENZYLOXY-PHENYL)-4-(7-PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID
    14919 BHQ
    CHEMBL480626
    DB04638
    ZINC000000056404    		 2 C14 H22 O2 InChI=1S/C14H22O2/c1-13(2
    ,3)9-7-12(16)10(8-11(9)15
    )14(4,5)6/h7-8,15-16H,1-6
    H3;
    JZODKRWQWUWGCD-UHFFFAOYSA-N    		 CC(C)(C)c1cc(c(cc1O)C(C)(C)C)O; Oc1cc(c(
    O)cc1C(C)(C)C)C(C)(C)C; CC(C)(C)c1cc(O)c
    (cc1O)C(C)(C)C    		 2,5-DITERT-BUTYLBENZENE-1,4-DIOL;
    2,5-DI-(TERT-BUTYL)-1,4,BENZOHYDROQUINONE
    14920 BHR
    ZINC000064746579    		 4 C20 H24 N2 O7 InChI=1S/C20H24N2O7/c23-1
    6-6-2-1-4-14(16)10-21(12-
    18(25)26)8-9-22(13-19(27)
    28)11-15-5-3-7-17(24)20(1
    5)29/h1-7,23-24,29H,8-13H
    2,(H,25,26)(H,27,28);
    PIRBWSIWJQHRSO-UHFFFAOYSA-N    		 c1ccc(c(c1)C[N@@](CC[N@](Cc2cccc(c2O)O)C
    C(=O)O)CC(=O)O)O; O=C(O)CN(Cc1cccc(O)c1O
    )CCN(Cc2ccccc2O)CC(=O)O; OC(=O)CN(CCN(CC
    (O)=O)Cc1cccc(O)c1O)Cc2ccccc2O; c1ccc(c(
    c1)CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O)
    O    		 2-[2-[carboxymethyl-[(2-hydroxyphenyl)methyl]amino]ethyl-[(2,3-dihydroxyphenyl)methyl]amino]ethanoic acid
    14921 BHS
    DB03918
    ZINC000013815072    		 4 C9 H15 N5 O3 InChI=1S/C9H15N5O3/c1-3(1
    5)6(16)4-2-11-7-5(12-4)8(
    17)14-9(10)13-7/h3-4,6,12
    ,15-16H,2H2,1H3,(H4,10,11
    ,13,14,17)/t3-,4-,6-/m1/s
    1;
    FNKQXYHWGSIFBK-ZMIZWQJLSA-N    		 C[C@@H](O)[C@@H](O)[C@H]1CNC2=C(N1)C(=O)
    NC(=N2)N; C[C@H]([C@H]([C@H]1CNC2=C(N1)C
    (=O)NC(=N2)N)O)O; O=C1C=2NC(CNC=2N=C(N1)
    N)C(O)C(O)C; CC(C(C1CNC2=C(N1)C(=O)NC(=N
    2)N)O)O; C[CH](O)[CH](O)[CH]1CNC2=C(N1)C
    (=O)NC(=N2)N    		 6S-5,6,7,8-TETRAHYDROBIOPTERIN
    14922 BHT 1 C37 H30 N3 O9 S3 InChI=1S/C37H29N3O9S3/c41
    -50(42,43)34-21-19-31(20-
    22-34)38-28-13-7-25(8-14-
    28)37(26-9-15-29(16-10-26
    )39-32-3-1-5-35(23-32)51(
    44,45)46)27-11-17-30(18-1
    2-27)40-33-4-2-6-36(24-33
    )52(47,48)49/h1-24,39-40H
    ,(H,41,42,43)(H,44,45,46)
    (H,47,48,49)/p+1;
    QEJOESQJOWWNSS-UHFFFAOYSA-O    		 c1cc(cc(c1)S(=O)(=O)O)Nc2ccc(cc2)C(=C3C=
    CC(=[NH+]c4ccc(cc4)S(=O)(=O)O)C=C3)c5ccc
    (cc5)Nc6cccc(c6)S(=O)(=O)O; O=S(=O)(O)c1
    cccc(c1)Nc2ccc(cc2)\C(=C4/C=C/C(=[NH+]\c
    3ccc(cc3)S(=O)(=O)O)C=C4)c6ccc(Nc5cccc(c
    5)S(=O)(=O)O)cc6; O[S](=O)(=O)c1ccc(cc1)
    [NH+]=C2C=CC(C=C2)=C(c3ccc(Nc4cccc(c4)[S
    ](O)(=O)=O)cc3)c5ccc(Nc6cccc(c6)[S](O)(=
    O)=O)cc5    		 N-[4-(BIS{4-[(3-SULFOPHENYL)AMINO]PHENYL}METHYLENE)CYCLOHEXA-2,5-DIEN-1-YLIDENE]-4-SULFOBENZENAMINIUM;
    BLUE HT
    14923 BHU
    CHEMBL4450628    		 5 C5 H12 B N O3 S InChI=1S/C5H12BNO3S/c1-4(
    2-11)5(8)7-3-6(9)10/h4,9-
    11H,2-3H2,1H3,(H,7,8)/t4-
    /m1/s1;
    HXSZVYICUWXMQS-SCSAIBSYSA-N    		 B(CNC(=O)C(C)CS)(O)O; C[C@H](CS)C(=O)NCB
    (O)O; B(CNC(=O)[C@H](C)CS)(O)O; C[CH](CS
    )C(=O)NCB(O)O    		 [[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]methylboronic acid;
    (S)-((3-mercapto-2-methylpropanamido)methyl)boronic acid
    14924 BHV 2 C38 H53 F3 N6 O5 InChI=1S/C38H53F3N6O5/c1-
    26(2)21-33(48)42-24-29-23
    -28(7-8-31(29)38(39,40)41
    )35-30-25-46(16-11-32(30)
    47(43-35)13-6-12-44-17-19
    -51-20-18-44)34(49)22-27-
    9-14-45(15-10-27)36(50)52
    -37(3,4)5/h7-8,21,23,27H,
    6,9-20,22,24-25H2,1-5H3,(
    H,42,48);
    VGHVCBNZEGIXOJ-UHFFFAOYSA-N    		 C(NC(\C=C(/C)C)=O)c1cc(ccc1C(F)(F)F)c3c4
    c(n(CCCN2CCOCC2)n3)CCN(C4)C(=O)CC5CCN(CC
    5)C(OC(C)(C)C)=O; CC(C)=CC(=O)NCc1cc(ccc
    1C(F)(F)F)c2nn(CCCN3CCOCC3)c4CCN(Cc24)C(
    =O)CC5CCN(CC5)C(=O)OC(C)(C)C; CC(=CC(=O)
    NCc1cc(ccc1C(F)(F)F)c2c3c(n(n2)CCCN4CCOC
    C4)CCN(C3)C(=O)CC5CCN(CC5)C(=O)OC(C)(C)C
    )C    		 tert-butyl 4-(2-{3-[3-{[(3-methylbut-2-enoyl)amino]methyl}-4-(trifluoromethyl)phenyl]-1-[3-(morpholin-4-yl)propyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}-2-oxoethyl)piperidine-1-carboxylate
    14925 BHW
    CHEMBL4555272    		 3 C55 H59 N5 O20 InChI=1S/C55H59N5O20/c1-2
    1-12-16-29(57-21)48(67)77
    -42-38(63)52(79-54(6,7)44
    (42)71-10)73-31-18-14-26-
    36(61)34(50(69)75-40(26)2
    4(31)4)59-46(65)28-20-56-
    33(23(28)3)47(66)60-35-37
    (62)27-15-19-32(25(5)41(2
    7)76-51(35)70)74-53-39(64
    )43(45(72-11)55(8,9)80-53
    )78-49(68)30-17-13-22(2)5
    8-30/h12-20,38-39,42-45,5
    2-53,56-58,61-64H,1-11H3,
    (H,59,65)(H,60,66)/t38-,3
    9-,42+,43+,44-,45-,52-,53
    -/m1/s1;
    WTIJXIZOODAMJT-DHFGXMAYSA-N    		 CO[C@@H]1[C@@H](OC(=O)c2[nH]c(C)cc2)[C@@
    H](O)[C@H](Oc3ccc4C(=C(NC(=O)c5[nH]cc(C(
    =O)NC6=C(O)c7ccc(O[C@@H]8OC(C)(C)[C@H](O
    C)[C@@H](OC(=O)c9[nH]c(C)cc9)[C@H]8O)c(C
    )c7OC6=O)c5C)C(=O)Oc4c3C)O)OC1(C)C; CO[C
    H]1[CH](OC(=O)c2[nH]c(C)cc2)[CH](O)[CH](
    Oc3ccc4C(=C(NC(=O)c5[nH]cc(C(=O)NC6=C(O)
    c7ccc(O[CH]8OC(C)(C)[CH](OC)[CH](OC(=O)c
    9[nH]c(C)cc9)[CH]8O)c(C)c7OC6=O)c5C)C(=O
    )Oc4c3C)O)OC1(C)C; Cc1ccc([nH]1)C(=O)O[C
    @H]2[C@H]([C@@H](OC([C@@H]2OC)(C)C)Oc3cc
    c4c(c3C)OC(=O)C(=C4O)NC(=O)c5c[nH]c(c5C)
    C(=O)NC6=C(c7ccc(c(c7OC6=O)C)O[C@H]8[C@@
    H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc
    ([nH]9)C)O)O)O; Cc1ccc([nH]1)C(=O)OC2C(C
    (OC(C2OC)(C)C)Oc3ccc4c(c3C)OC(=O)C(=C4O)
    NC(=O)c5c[nH]c(c5C)C(=O)NC6=C(c7ccc(c(c7
    OC6=O)C)OC8C(C(C(C(O8)(C)C)OC)OC(=O)c9cc
    c([nH]9)C)O)O)O    		 Coumermycin A1
    14926 BHX 1 C9 H15 O8 P InChI=1S/C9H15O8P/c10-7(1
    1)2-1-6(9(14)15)5-18(16,1
    7)4-3-8(12)13/h6H,1-5H2,(
    H,10,11)(H,12,13)(H,14,15
    )(H,16,17)/t6-/m1/s1;
    GZNKYXXCKRYSFH-ZCFIWIBFSA-N    		 C(CC(=O)O)C(CP(=O)(CCC(=O)O)O)C(=O)O; C(
    CC(=O)O)[C@H](C[P@](=O)(CCC(=O)O)O)C(=O)
    O; O=C(O)CCC(C(=O)O)CP(=O)(O)CCC(=O)O; O
    C(=O)CC[CH](C[P](O)(=O)CCC(O)=O)C(O)=O;
    OC(=O)CC[C@H](C[P@](O)(=O)CCC(O)=O)C(O)=
    O    		 (2S)-2-{[(S)-(2-carboxyethyl)(hydroxy)phosphoryl]methyl}pentanedioic acid
    14927 BHY
    DB07455
    ZINC000024962151    		 2 C20 H28 N2 O4 S2 InChI=1S/C20H28N2O4S2/c1-
    15(13-21-27(3,23)24)17-5-
    9-19(10-6-17)20-11-7-18(8
    -12-20)16(2)14-22-28(4,25
    )26/h5-12,15-16,21-22H,13
    -14H2,1-4H3/t15-,16-/m0/s
    1;
    ZESUARCHWPARIF-HOTGVXAUSA-N    		 C[C@@H](CNS(=O)(=O)C)c1ccc(cc1)c2ccc(cc2
    )[C@@H](C)CNS(=O)(=O)C; C[C@@H](CN[S](C)
    (=O)=O)c1ccc(cc1)c2ccc(cc2)[C@@H](C)CN[S
    ](C)(=O)=O; CC(CNS(=O)(=O)C)c1ccc(cc1)c2
    ccc(cc2)C(C)CNS(=O)(=O)C; O=S(=O)(NCC(c2
    ccc(c1ccc(cc1)C(CNS(=O)(=O)C)C)cc2)C)C;
    C[CH](CN[S](C)(=O)=O)c1ccc(cc1)c2ccc(cc2
    )[CH](C)CN[S](C)(=O)=O    		 N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dimethanesulfonamide;
    (R,R)-N,N-(2,2'-(biphenyl-4-4'-diyl)bis(propane-2,1-diyl))dimethanesulfonamide
    14928 BHZ
    ZINC000064746580    		 6 C20 H24 N2 O5 InChI=1S/C20H24N2O5/c23-1
    8-9-5-4-8-17(18)13-22(15-
    20(26)27)11-10-21(14-19(2
    4)25)12-16-6-2-1-3-7-16/h
    1-9,23H,10-15H2,(H,24,25)
    (H,26,27);
    JSDNXVMPVNBNSK-UHFFFAOYSA-N    		 OC(=O)CN(CCN(CC(O)=O)Cc1ccccc1O)Cc2ccccc
    2; O=C(O)CN(Cc1ccccc1O)CCN(Cc2ccccc2)CC(
    =O)O; c1ccc(cc1)CN(CCN(Cc2ccccc2O)CC(=O)
    O)CC(=O)O; c1ccc(cc1)C[N@@](CC[N@](Cc2cc
    ccc2O)CC(=O)O)CC(=O)O    		 2-[2-[carboxymethyl(phenylmethyl)amino]ethyl-[(2-hydroxyphenyl)methyl]amino]ethanoic acid
    14929 BI1
    CHEMBL7463
    DB03777
    ZINC000000585151    		 5 C25 H24 N4 O2 InChI=1S/C25H24N4O2/c1-28
    (2)12-7-13-29-15-19(17-9-
    4-6-11-21(17)29)23-22(24(
    30)27-25(23)31)18-14-26-2
    0-10-5-3-8-16(18)20/h3-6,
    8-11,14-15,26H,7,12-13H2,
    1-2H3,(H,27,30,31);
    QMGUOJYZJKLOLH-UHFFFAOYSA-N    		 CN(C)CCCn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c
    4c[nH]c5c4cccc5; CN(C)CCCn1cc(c2ccccc12)
    C3=C(C(=O)NC3=O)c4c[nH]c5ccccc45; O=C5C(
    c2c1ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN(C)C
    )C(=O)N5    		 3-{1-[3-(DIMETHYLAMINO)PROPYL]-1H-INDOL-3-YL}-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE;
    RBT205 INHIBITOR
    14930 BI2
    DB07456
    ZINC000002560260    		 1 C27 H26 N4 O2 InChI=1S/C27H26N4O2/c1-30
    -13-6-7-17(30)12-14-31-16
    -21(19-9-3-5-11-23(19)31)
    25-24(26(32)29-27(25)33)2
    0-15-28-22-10-4-2-8-18(20
    )22/h2-5,8-11,15-17,28H,6
    -7,12-14H2,1H3,(H,29,32,3
    3)/t17-/m1/s1;
    LBFDERUQORUFIN-QGZVFWFLSA-N    		 C[N@@]1CCC[C@@H]1CCn2cc(c3c2cccc3)C4=C(C
    (=O)NC4=O)c5c[nH]c6c5cccc6; CN1CCC[C@@H]
    1CCn2cc(c3ccccc23)C4=C(C(=O)NC4=O)c5c[nH
    ]c6ccccc56; O=C3C(c2c1ccccc1nc2)=C(C(=O)
    N3)c4c6ccccc6n(c4)CCC5N(C)CCC5; CN1CCCC1
    CCn2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]
    c6c5cccc6; CN1CCC[CH]1CCn2cc(c3ccccc23)C
    4=C(C(=O)NC4=O)c5c[nH]c6ccccc56    		 3-(1H-INDOL-3-YL)-4-(1-{2-[(2S)-1-METHYLPYRROLIDINYL]ETHYL}-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
    14931 BI3
    CHEMBL270875
    DB07457
    ZINC000002560261    		 1 C23 H20 N4 O2 InChI=1S/C23H20N4O2/c24-1
    0-5-11-27-13-17(15-7-2-4-
    9-19(15)27)21-20(22(28)26
    -23(21)29)16-12-25-18-8-3
    -1-6-14(16)18/h1-4,6-9,12
    -13,25H,5,10-11,24H2,(H,2
    6,28,29);
    APYXQTXFRIDSGE-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)C3=C(C(=O)NC3=O)c4cn
    (c5c4cccc5)CCCN; NCCCn1cc(c2ccccc12)C3=C
    (C(=O)NC3=O)c4c[nH]c5ccccc45; O=C5C(c2c1
    ccccc1nc2)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5    		 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE;
    INHIBITOR OF 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1
    14932 BI4
    DB07458
    ZINC000003871740    		 7 C27 H26 N4 O2 InChI=1S/C27H26N4O2/c1-30
    -13-6-7-17(30)12-14-31-16
    -21(19-9-3-5-11-23(19)31)
    25-24(26(32)29-27(25)33)2
    0-15-28-22-10-4-2-8-18(20
    )22/h2-5,8-11,15-17,28H,6
    -7,12-14H2,1H3,(H,29,32,3
    3)/t17-/m0/s1;
    LBFDERUQORUFIN-KRWDZBQOSA-N    		 CN1CCC[C@H]1CCn2cc(c3ccccc23)C4=C(C(=O)N
    C4=O)c5c[nH]c6ccccc56; C[N@]1CCC[C@H]1CC
    n2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6
    c5cccc6; O=C3C(c2c1ccccc1nc2)=C(C(=O)N3)
    c4c6ccccc6n(c4)CCC5N(C)CCC5; CN1CCCC1CCn
    2cc(c3c2cccc3)C4=C(C(=O)NC4=O)c5c[nH]c6c
    5cccc6; CN1CCC[CH]1CCn2cc(c3ccccc23)C4=C
    (C(=O)NC4=O)c5c[nH]c6ccccc56    		 3-(1H-INDOL-3-YL)-4-{1-[2-(1-METHYLPYRROLIDIN-2-YL)ETHYL]-1H-INDOL-3-YL}-1H-PYRROLE-2,5-DIONE
    14933 BI5
    CHEMBL199237
    DB07459
    ZINC000013284470    		 1 C19 H16 N2 O2 InChI=1S/C19H16N2O2/c22-1
    9(21-14-16-6-4-5-13-20-16
    )15-9-11-18(12-10-15)23-1
    7-7-2-1-3-8-17/h1-13H,14H
    2,(H,21,22);
    HVLSCZSVTCNAQX-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccc(cc2)C(=O)NCc3ccccn3; O=
    C(NCc1ncccc1)c3ccc(Oc2ccccc2)cc3; O=C(NC
    c1ccccn1)c2ccc(Oc3ccccc3)cc2    		 4-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDE
    14934 BI6
    ZINC000038559573    		 1 C29 H34 N4 O3 InChI=1S/C29H34N4O3/c1-3-
    23(30-2)27(34)31-24-17-11
    -10-16-22-18-19-25(33(22)
    29(24)36)28(35)32-26(20-1
    2-6-4-7-13-20)21-14-8-5-9
    -15-21/h4-9,11-15,17,22-2
    6H,2-3,10,16,18-19H2,1H3,
    (H,31,34)(H,32,35)/t22-,2
    3-,24-,25-/m0/s1;
    DOJSRSYBMNHTER-QORCZRPOSA-N    		 CC[CH](N=C)C(=O)N[CH]1C=CCC[CH]2CC[CH](N
    2C1=O)C(=O)NC(c3ccccc3)c4ccccc4; CCC(C(=
    O)NC1C=CCCC2CCC(N2C1=O)C(=O)NC(c3ccccc3)
    c4ccccc4)N=C; CC[C@H](N=C)C(=O)N[C@H]1\C
    =C/CC[C@H]2CC[C@H](N2C1=O)C(=O)NC(c3cccc
    c3)c4ccccc4; CC[C@@H](C(=O)N[C@H]1C=CCC[
    C@H]2CC[C@H](N2C1=O)C(=O)NC(c3ccccc3)c4c
    cccc4)N=C; O=C(NC1C=CCCC4N(C1=O)C(C(=O)N
    C(c2ccccc2)c3ccccc3)CC4)C(/N=C)CC    		 (3S,6S,7Z,10AS)-N-(DIPHENYLMETHYL)-6-{[(2S)-2-(METHYLIDENEAMINO)BUTANOYL]AMINO}-5-OXO-1,2,3,5,6,9,10,10A-OCTAHYDROPYRROLO[1,2-A]AZOCINE-3-CARBOXAMIDE
    14935 BI7
    CHEMBL1626802    		 1 C22 H28 Cl N4 O3 S InChI=1S/C22H28ClN4O3S/c1
    -27(2,3)11-5-10-26-21(28)
    18-14-6-4-9-25(14)20(19(1
    8)22(26)29)13-12-15(30-24
    -13)16-7-8-17(23)31-16/h7
    -8,12,14,18-20H,4-6,9-11H
    2,1-3H3/q+1/t14-,18-,19-,
    20-/m0/s1;
    IMQAZTOPHVBANA-DSYPUSFNSA-N    		 C[N+](C)(C)CCCN1C(=O)C2C3CCCN3C(C2C1=O)c
    4cc(on4)c5ccc(s5)Cl; C[N+](C)(C)CCCN1C(=
    O)[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C1=O)c4c
    c(on4)c5ccc(s5)Cl; C[N+](C)(C)CCCN1C(=O)
    [CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4cc(on4)c
    5sc(Cl)cc5; C[N+](C)(C)CCCN1C(=O)[C@H]2[
    C@@H]3CCCN3[C@H]([C@H]2C1=O)c4cc(on4)c5s
    c(Cl)cc5    		 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
    14936 BI8
    CHEMBL269264
    DB01946
    ZINC000002011710    		 3 C24 H22 N4 O2 InChI=1S/C24H22N4O2/c1-27
    -13-17(15-7-2-4-9-19(15)2
    7)21-22(24(30)26-23(21)29
    )18-14-28(12-6-11-25)20-1
    0-5-3-8-16(18)20/h2-5,7-1
    0,13-14H,6,11-12,25H2,1H3
    ,(H,26,29,30);
    UQHKJRCFSLMWIA-UHFFFAOYSA-N    		 Cn1cc(c2c1cccc2)C3=C(C(=O)NC3=O)c4cn(c5c
    4cccc5)CCCN; Cn1cc(c2ccccc12)C3=C(C(=O)N
    C3=O)c4cn(CCCN)c5ccccc45; O=C5C(c2c1cccc
    c1n(c2)C)=C(c4c3ccccc3n(c4)CCCN)C(=O)N5    		 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
    14937 BI9
    CHEMBL458997
    DB07460
    ZINC000020148986    		 4 C23 H25 Cl N6 O3 InChI=1S/C23H25ClN6O3/c1-
    25-22(31)16-5-3-4-6-18(16
    )27-21-17(24)14-26-23(29-
    21)28-19-8-7-15(13-20(19)
    32-2)30-9-11-33-12-10-30/
    h3-8,13-14H,9-12H2,1-2H3,
    (H,25,31)(H2,26,27,28,29);
    UYJNQQDJUOUFQJ-UHFFFAOYSA-N    		 O=C(NC)c1ccccc1Nc2nc(ncc2Cl)Nc4c(OC)cc(N
    3CCOCC3)cc4; CNC(=O)c1ccccc1Nc2nc(Nc3ccc
    (cc3OC)N4CCOCC4)ncc2Cl; CNC(=O)c1ccccc1N
    c2c(cnc(n2)Nc3ccc(cc3OC)N4CCOCC4)Cl    		 2-({5-CHLORO-2-[(2-METHOXY-4-MORPHOLIN-4-YLPHENYL)AMINO]PYRIMIDIN-4-YL}AMINO)-N-METHYLBENZAMIDE
    14938 BIA
    CHEMBL387347
    DB03336
    ZINC000003975390    		 1 C20 H20 F3 N3 O5 InChI=1S/C20H20F3N3O5/c21
    -20(22,23)14-2-1-3-15(12-
    14)25-8-6-24(7-9-25)5-4-1
    7(27)13-10-16(26(30)31)19
    (29)18(28)11-13/h1-3,10-1
    2,28-29H,4-9H2;
    KVIVJQWOYSWCCZ-UHFFFAOYSA-N    		 Oc1cc(cc(c1O)[N+]([O-])=O)C(=O)CCN2CCN(C
    C2)c3cccc(c3)C(F)(F)F; c1cc(cc(c1)N2CCN(
    CC2)CCC(=O)c3cc(c(c(c3)O)O)[N+](=O)[O-])
    C(F)(F)F; [O-][N+](=O)c3c(O)c(O)cc(C(=O)
    CCN2CCN(c1cc(ccc1)C(F)(F)F)CC2)c3    		 1-(3,4,DIHYDROXY-5-NITROPHENYL)-3-{4-[3-(TRIFLUOROMETHYL) PHENYL] PIPERAZIN-1-YL}PROPAN-1-ONE;
    BIA 3-335
    14939 BIB 8 C4 H8 N O2 InChI=1S/C4H9NO2/c1-3(2-5
    )4(6)7/h3H,2,5H2,1H3,(H,6
    ,7)/p-1/t3-/m0/s1;
    QCHPKSFMDHPSNR-VKHMYHEASA-M    		 CC(CN)C(=O)[O-]; C[C@@H](CN)C([O-])=O; C
    [C@@H](CN)C(=O)[O-]; [O-]C(=O)C(C)CN; C[
    CH](CN)C([O-])=O    		 BETA-AMINO ISOBUTYRATE
    14940 BIC
    DB07461
    ZINC000031260442    		 0 C15 H19 N3 O2 InChI=1S/C15H19N3O2/c16-1
    5(10-12-4-2-1-3-5-12)7-9-
    17-8-6-13(11-19)18(17)14(
    15)20/h1-5,11,13H,6-10,16
    H2/t13-,15+/m0/s1;
    JVDDTUQPPBUQDD-DZGCQCFKSA-N    		 N[C@]1(CCN2CC[C@@H](C=O)N2C1=O)Cc3ccccc3
    ; c1ccc(cc1)CC2(CCN3CCC(N3C2=O)C=O)N; O=
    CC2N1C(=O)C(N)(CCN1CC2)Cc3ccccc3; c1ccc(
    cc1)C[C@@]2(CC[N@@]3CC[C@H](N3C2=O)C=O)N
    ; N[C]1(CCN2CC[CH](C=O)N2C1=O)Cc3ccccc3    		 3-AMINO-3-BENZYL-9-CARBOXAMIDE[4.3.0]BICYCLO-1,6-DIAZANONAN-2-ONE
    14941 BID
    ZINC000024798806    		 1 C40 H68 N2 O8 InChI=1S/C40H68N2O8/c1-8-
    11-32(44)23-34-17-15-27(3
    )37(48-34)24-38(46)42-25-
    35(45)30(6)39(47)41-21-10
    -13-36-28(4)18-20-40(50-3
    6)19-9-12-33(49-40)16-14-
    26(2)22-29(5)31(7)43/h8,1
    1,22,26-28,30-31,33-37,43
    ,45H,9-10,12-21,23-25H2,1
    -7H3,(H,41,47)(H,42,46)/b
    11-8+,29-22+/t26-,27-,28-
    ,30-,31-,33-,34+,35-,36+,
    37-,40-/m0/s1;
    HXZRMADPDYFMEB-CPBPHPDTSA-N    		 O=C(/C=C/C)CC1OC(C(C)CC1)CC(=O)NCC(O)C(C
    (=O)NCCCC3OC2(OC(CCC2)CCC(\C=C(/C)C(O)C)
    C)CCC3C)C; CC=CC(=O)C[CH]1CC[CH](C)[CH](
    CC(=O)NC[CH](O)[CH](C)C(=O)NCCC[CH]2O[C]
    3(CCC[CH](CC[CH](C)C=C(C)[CH](C)O)O3)CC[
    CH]2C)O1; C\C=C\C(=O)C[C@H]1CC[C@@H]([C@
    @H](O1)CC(=O)NC[C@@H]([C@H](C)C(=O)NCCC[
    C@@H]2[C@H](CC[C@@]3(O2)CCC[C@H](O3)CC[C
    @H](C)\C=C(/C)\[C@H](C)O)C)O)C; C/C=C/C(
    =O)C[C@H]1CC[C@H](C)[C@H](CC(=O)NC[C@H](
    O)[C@H](C)C(=O)NCCC[C@H]2O[C@@]3(CCC[C@@
    H](CC[C@H](C)\C=C(/C)[C@H](C)O)O3)CC[C@@
    H]2C)O1; CC=CC(=O)CC1CCC(C(O1)CC(=O)NCC(
    C(C)C(=O)NCCCC2C(CCC3(O2)CCCC(O3)CCC(C)C
    =C(C)C(C)O)C)O)C    		 BISTRAMIDE A;
    (2S,3R)-3-HYDROXY-N-(3-{(2R,3S,6S,8S)-8-[(3S,4E,6S)-6-HYDROXY-3,5-DIMETHYLHEPT-4-EN-1-YL]-3-METHYL-1,7-DIOXASPIRO[5.5]U NDEC-2-YL}PROPYL)-2-METHYL-4-[({(2S,3S,6R)-3-METHYL-6-[(3E)-2-OXOPENT-3-EN-1-YL]TETRAHYDRO-2H-PYRAN-2-YL}ACETYL)AMINO]BU TANAMIDE
    14942 BIE
    DB07462
    ZINC000013677656    		 2 C13 H9 N O5 InChI=1S/C13H9NO5/c15-10-
    7-6-9(11(13(10)17)14(18)1
    9)12(16)8-4-2-1-3-5-8/h1-
    7,15,17H;
    ICLKAUQIPVFHOI-UHFFFAOYSA-N    		 Oc1ccc(C(=O)c2ccccc2)c(c1O)[N+]([O-])=O;
    c1ccc(cc1)C(=O)c2ccc(c(c2[N+](=O)[O-])O
    )O; [O-][N+](=O)c2c(C(=O)c1ccccc1)ccc(O)
    c2O    		 (3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONE;
    BIA 3-335
    14943 BIF
    DB04639
    ZINC000002244337    		 0 C15 H15 N O2 InChI=1S/C15H15NO2/c16-14
    (15(17)18)10-11-6-8-13(9-
    7-11)12-4-2-1-3-5-12/h1-9
    ,14H,10,16H2,(H,17,18)/t1
    4-/m0/s1;
    JCZLABDVDPYLRZ-AWEZNQCLSA-N    		 c1ccc(cc1)c2ccc(cc2)CC(C(=O)O)N; N[CH](C
    c1ccc(cc1)c2ccccc2)C(O)=O; O=C(O)C(N)Cc1
    ccc(cc1)c2ccccc2; c1ccc(cc1)c2ccc(cc2)C[
    C@@H](C(=O)O)N; N[C@@H](Cc1ccc(cc1)c2ccc
    cc2)C(O)=O    		 (R)-2-AMINO-3-(4-PHENYLCYCLOHEXYL)PROPANOIC ACID;
    BIPHENYLALANINE
    14944 BIG
    CHEMBL1231347
    DB07463
    ZINC000013648011    		 15 C16 H25 N5 O S InChI=1S/C16H25N5OS/c1-2-
    3-4-23-9-12-7-21(8-13(12)
    22)6-11-5-18-15-14(11)19-
    10-20-16(15)17/h5,10,12-1
    3,18,22H,2-4,6-9H2,1H3,(H
    2,17,19,20)/t12-,13+/m1/s
    1;
    LTSUEVPGSXUJHT-OLZOCXBDSA-N    		 CCCCSCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N; CCCC
    SC[C@H]1C[N@](C[C@@H]1O)Cc2c[nH]c3c2ncnc
    3N; CCCCSC[CH]1CN(C[CH]1O)Cc2c[nH]c3c(N)
    ncnc23; CCCCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH
    ]c3c(N)ncnc23; S(CCCC)CC3CN(Cc2cnc1c2ncn
    c1N)CC3O    		 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol;
    butylthio-DADMe-Immucillin A
    14945 BIH
    CHEMBL1206869
    DB04640
    ZINC000001669723    		 5 C10 H8 O6 S2 InChI=1S/C10H8O6S2/c11-17
    (12,13)9-3-1-7-5-10(18(14
    ,15)16)4-2-8(7)6-9/h1-6H,
    (H,11,12,13)(H,14,15,16);
    FITZJYAVATZPMJ-UHFFFAOYSA-N    		 O[S](=O)(=O)c1ccc2cc(ccc2c1)[S](O)(=O)=O
    ; c1cc(cc2c1cc(cc2)S(=O)(=O)O)S(=O)(=O)O
    ; O=S(=O)(O)c1ccc2c(c1)ccc(c2)S(=O)(=O)O    		 NAPHTHALENE-2,6-DISULFONIC ACID;
    2,6-NAPHTHALENEDISULFONIC ACID;
    2,6-NAPHTHALENEDISULPHONIC ACID
    14946 BII 1 C25 H32 Cl N7 O3 S InChI=1S/C25H32ClN7O3S/c1
    -16(2)32-37(34,35)23-8-6-
    5-7-21(23)29-24-19(26)14-
    28-25(31-24)30-20-10-9-18
    (13-22(20)36-4)33-12-11-1
    7(15-33)27-3/h5-10,13-14,
    16-18,27,32H,11-12,15H2,1
    -4H3,(H,28,29,31)/b30-20+
    /t17-,18?/m1/s1;
    GLVPQZCTTHRANR-ZYGFWXSESA-N    		 CC(C)NS(=O)(=O)c1ccccc1Nc2c(cnc(n2)N=C3C
    =CC(C=C3OC)N4CC[C@H](C4)NC)Cl; O=S(=O)(N
    C(C)C)c1ccccc1Nc2nc(ncc2Cl)/N=C3/C(OC)=C
    C(C=C3)N4CCC(NC)C4; CN[CH]1CCN(C1)[CH]2C
    =CC(=Nc3ncc(Cl)c(Nc4ccccc4[S](=O)(=O)NC(
    C)C)n3)C(=C2)OC; CN[C@@H]1CCN(C1)[C@@H]2
    C=CC(=Nc3ncc(Cl)c(Nc4ccccc4[S](=O)(=O)NC
    (C)C)n3)C(=C2)OC; CC(C)NS(=O)(=O)c1ccccc
    1Nc2c(cnc(n2)N=C3C=CC(C=C3OC)N4CCC(C4)NC
    )Cl    		 2-{[5-CHLORO-2-({(1E,4R)-2-METHOXY-4-[(3R)-3-(METHYLAMINO)PYRROLIDIN-1-YL]CYCLOHEXA-2,5-DIEN-1-YLIDENE}AMINO)PYRIMIDIN-4-YL]AMINO}-N-(1-METHYLETHYL)BENZENESULFONAMIDE
    14947 BIJ
    ZINC000058626793    		 1 C25 H28 Cl N7 O2 InChI=1S/C25H28ClN7O2/c1-
    31-9-11-33(12-10-31)17-7-
    8-19(21(13-17)35-3)29-25-
    27-14-18(26)23(30-25)28-2
    0-6-4-5-16-15-32(2)24(34)
    22(16)20/h4-8,13-14,18H,9
    -12,15H2,1-3H3,(H,28,29,3
    0)/t18-/m0/s1;
    YKRBTLCKGPASPO-SFHVURJKSA-N    		 COc1cc(ccc1N=C2N=C[C@H](Cl)C(=N2)Nc3cccc
    4CN(C)C(=O)c34)N5CCN(C)CC5; O=C2N(C)Cc1c
    ccc(c12)NC3=NC(\N=CC3Cl)=N/c4ccc(cc4OC)N
    5CCN(C)CC5; CN1CCN(CC1)c2ccc(c(c2)OC)/N=
    C\3/N=CC(C(=N3)Nc4cccc5c4C(=O)N(C5)C)Cl;
    COc1cc(ccc1N=C2N=C[CH](Cl)C(=N2)Nc3cccc
    4CN(C)C(=O)c34)N5CCN(C)CC5; CN1CCN(CC1)c
    2ccc(c(c2)OC)N=C3N=CC(C(=N3)Nc4cccc5c4C(
    =O)N(C5)C)Cl    		 7-{[(2Z,5S)-5-CHLORO-2-{[2-METHOXY-4-(4-METHYLPIPERAZIN-1-YL)PHENYL]IMINO}-2,5-DIHYDROPYRIMIDIN-4-YL]AMINO}-2-METHYL-2,3-DIHYDRO-1H-ISOINDOL-1-ONE
    14948 BIK
    CHEMBL1231350
    DB04641
    ZINC000000156898    		 2 C11 H8 O4 InChI=1S/C11H8O4/c12-8-2-
    1-6-5-10(13)9(11(14)15)4-
    7(6)3-8/h1-5,12-13H,(H,14
    ,15);
    QMWOUSYSNFCKAZ-UHFFFAOYSA-N    		 OC(=O)c1cc2cc(O)ccc2cc1O; O=C(O)c2cc1c(c
    cc(O)c1)cc2O; c1cc(cc2c1cc(c(c2)C(=O)O)O
    )O    		 3,7-DIHYDROXY-2-NAPHTHOIC ACID;
    3,7-DIHYDROXYNAPHTHALENE-2-CARBOXYLIC ACID
    14949 BIL
    ZINC000000170368    		 0 C7 H15 N O2 InChI=1S/C7H15NO2/c1-3-5(
    2)6(8)4-7(9)10/h5-6H,3-4,
    8H2,1-2H3,(H,9,10)/t5-,6+
    /m0/s1;
    JHEDYGILOIBOTL-NTSWFWBYSA-N    		 CC[CH](C)[CH](N)CC(O)=O; CCC(C)C(CC(=O)O
    )N; CC[C@H](C)[C@@H](CC(=O)O)N; O=C(O)CC
    (N)C(CC)C; CC[C@H](C)[C@H](N)CC(O)=O    		 (3R,4S)-3-amino-4-methylhexanoic acid;
    (R,S)-beta-3-homoisoleucine
    14950 BIM
    CHEMBL1231352
    ZINC000033295968    		 2 C34 H33 N5 O2 InChI=1S/C34H33N5O2/c1-37
    (2)32-22-10-7-8-18-38-20-
    26(24-12-3-5-14-28(24)38)
    30-31(34(41)36-33(30)40)2
    7-21-39(29-15-6-4-13-25(2
    7)29)19-9-11-23(35-32)17-
    16-22/h3-6,12-17,20-21H,7
    -11,18-19H2,1-2H3,(H,36,4
    0,41);
    WHEOASILVTUPNR-UHFFFAOYSA-N    		 CN(C)c1nc2CCCn3cc(c4ccccc34)C5=C(C(=O)NC
    5=O)c6cn(CCCCc1cc2)c7ccccc67; CN(C)c1c2c
    cc(n1)CCCn3cc(c4c3cccc4)C5=C(c6cn(c7c6cc
    cc7)CCCC2)C(=O)NC5=O; O=C6C=5c2c1ccccc1n
    (c2)CCCCc3c(nc(cc3)CCCn7c4ccccc4c(C=5C(=
    O)N6)c7)N(C)C    		 BIS-(INDOLE)MALEIMIDE PYRIDINOPHANE
    14951 BIN
    DB04055
    ZINC000003870716    		 3 C20 H21 Cl N O6 InChI=1S/C20H20ClNO6/c1-5
    -22-11(4)14(20(27)28-10(2
    )3)15(12-8-6-7-9-13(12)21
    )16(18(23)24)17(22)19(25)
    26/h6-10H,5H2,1-4H3,(H-,2
    3,24,25,26)/p+1;
    HMSIYRVIPQHZBI-UHFFFAOYSA-O    		 CC[n+]1c(c(c(c(c1C(=O)O)C(=O)O)c2ccccc2C
    l)C(=O)OC(C)C)C; CC[n+]1c(C)c(C(=O)OC(C)
    C)c(c2ccccc2Cl)c(C(O)=O)c1C(O)=O; O=C(OC
    (C)C)c1c(c(c([n+](c1C)CC)C(=O)O)C(=O)O)c
    2ccccc2Cl    		 2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-1-ETHYL-5-ISOPROPOXYCARBONYL-6-METHYL-PYRIDINIUM
    14952 BIO
    DB03886
    ZINC000017129255    		 24 C9 H11 N5 O3 InChI=1S/C9H11N5O3/c1-3(1
    5)6(16)4-2-11-7-5(12-4)8(
    17)14-9(10)13-7/h2-3,6,15
    -16H,1H3,(H3,10,11,13,14,
    17)/t3-,6-/m1/s1;
    LHQIJBMDNUYRAM-AWFVSMACSA-N    		 C[C@H]([C@H](c1cnc2c(n1)C(=O)NC(=N2)N)O)
    O; O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)C; C[CH
    ](O)[CH](O)c1cnc2N=C(N)NC(=O)c2n1; C[C@@
    H](O)[C@@H](O)c1cnc2N=C(N)NC(=O)c2n1; CC
    (C(c1cnc2c(n1)C(=O)NC(=N2)N)O)O    		 BIOPTERIN
    14953 BIP
    DB03441    		 4 C10 H11 I O2 InChI=1S/C10H11IO2/c11-7-
    9(10(12)13)6-8-4-2-1-3-5-
    8/h1-5,9H,6-7H2,(H,12,13)
    /t9-/m0/s1;
    CRYXPGIJLMKFPX-VIFPVBQESA-N    		 OC(=O)[C@H](CI)Cc1ccccc1; O=C(O)C(CI)Cc1
    ccccc1; c1ccc(cc1)CC(CI)C(=O)O; c1ccc(cc
    1)C[C@@H](CI)C(=O)O; OC(=O)[CH](CI)Cc1cc
    ccc1    		 2-BENZYL-3-IODOPROPANOIC ACID
    14954 BIQ
    ZINC000058626853    		 4 C33 H36 N6 O9 InChI=1S/C33H36N6O9/c1-2-
    14-35-30(41)24-15-20-8-11
    -23(12-9-20)48-28-17-22(1
    0-13-27(28)39(45)46)16-25
    (31(42)37-26(18-29(34)40)
    32(43)36-24)38-33(44)47-1
    9-21-6-4-3-5-7-21/h3-13,1
    7,24-26H,2,14-16,18-19H2,
    1H3,(H2,34,40)(H,35,41)(H
    ,36,43)(H,37,42)(H,38,44)
    /t24-,25-,26-/m0/s1;
    CJHDBEMQNLQIBH-GSDHBNRESA-N    		 CCCNC(=O)[C@@H]1Cc2ccc(cc2)Oc3cc(ccc3[N+
    ](=O)[O-])C[C@@H](C(=O)N[C@H](C(=O)N1)CC
    (=O)N)NC(=O)OCc4ccccc4; [O-][N+](=O)c4cc
    c3cc4Oc1ccc(cc1)CC(C(=O)NCCC)NC(=O)C(NC(
    =O)C(NC(=O)OCc2ccccc2)C3)CC(=O)N; CCCNC(
    =O)[CH]1Cc2ccc(Oc3cc(C[CH](NC(=O)OCc4ccc
    cc4)C(=O)N[CH](CC(N)=O)C(=O)N1)ccc3[N+](
    [O-])=O)cc2; CCCNC(=O)[C@@H]1Cc2ccc(Oc3c
    c(C[C@H](NC(=O)OCc4ccccc4)C(=O)N[C@@H](C
    C(N)=O)C(=O)N1)ccc3[N+]([O-])=O)cc2; CCC
    NC(=O)C1Cc2ccc(cc2)Oc3cc(ccc3[N+](=O)[O-
    ])CC(C(=O)NC(C(=O)N1)CC(=O)N)NC(=O)OCc4c
    cccc4    		 BENZYL [12-(2-AMINO-2-OXOETHYL)-4-NITRO-10,13-DIOXO-15-[(PROPYLAMINO)CARBONYL]-2-OXA-11,14-DIAZATRICYCLO[15 .2.2.1~3,7~]DOCOSA-1(19),3(22),4,6,17,20-HEXAEN-9-YL]CARBAMATE
    14955 BIR
    DB02062
    ZINC000012080871    		 2 C21 H27 N2 O5 P InChI=1S/C21H27N2O5P/c1-1
    4(21(25)26)23-20(24)19(13
    -29(27,28)15(2)22)12-16-8
    -10-18(11-9-16)17-6-4-3-5
    -7-17/h3-11,14-15,19H,12-
    13,22H2,1-2H3,(H,23,24)(H
    ,25,26)(H,27,28)/t14-,15+
    ,19+/m0/s1;
    CWJPVKSBGVPXRD-QMTMVMCOSA-N    		 O=C(O)C(NC(=O)C(CP(=O)(O)C(N)C)Cc1ccc(cc
    1)c2ccccc2)C; CC(C(=O)O)NC(=O)C(Cc1ccc(c
    c1)c2ccccc2)CP(=O)(C(C)N)O; C[C@@H](C(=O
    )O)NC(=O)[C@H](Cc1ccc(cc1)c2ccccc2)C[P@@
    ](=O)([C@H](C)N)O; C[C@H](N)[P@](O)(=O)C
    [C@@H](Cc1ccc(cc1)c2ccccc2)C(=O)N[C@@H](
    C)C(O)=O; C[CH](N)[P](O)(=O)C[CH](Cc1ccc
    (cc1)c2ccccc2)C(=O)N[CH](C)C(O)=O    		 N-[3-[(1-AMINOETHYL)(HYDROXY)PHOSPHORYL]-2-(1,1'-BIPHENYL-4-YLMETHYL)PROPANOYL]ALANINE
    14956 BIS
    CHEMBL1160562
    ZINC000024411934    		 1 C15 H22 F4 N5 O12 P3 InChI=1S/C15H22F4N5O12P3/
    c16-14(17,37(27,28)29)2-1
    -3-15(18,19)38(30,31)36-3
    9(32,33)34-4-7-9(25)10(26
    )13(35-7)24-6-23-8-11(20)
    21-5-22-12(8)24/h5-7,9-10
    ,13,25-26H,1-4H2,(H,30,31
    )(H,32,33)(H2,20,21,22)(H
    2,27,28,29)/t7-,9-,10-,13
    -/m1/s1;
    VWQBAZQMKBHYJA-QYVSTXNMSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@@](=O)(O)O[P@@](=O)(C(CCCC(F
    )(F)P(=O)(O)O)(F)F)O)O)O)N; Nc1ncnc2n(cn
    c12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)C(
    F)(F)CCCC(F)(F)[P](O)(O)=O)[CH](O)[CH]3O
    ; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O
    )(=O)O[P@@](O)(=O)C(F)(F)CCCC(F)(F)[P](O
    )(O)=O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(c
    n2)C3C(C(C(O3)COP(=O)(O)OP(=O)(C(CCCC(F)
    (F)P(=O)(O)O)(F)F)O)O)O)N; FC(F)(P(=O)(O
    )O)CCCC(F)(F)P(=O)(O)OP(=O)(O)OCC3OC(n2c
    nc1c(ncnc12)N)C(O)C3O    		 1,1,5,5-TETRAFLUOROPHOSPHOPENTYLPHOSPHONIC ACID ADENYLATE ESTER
    14957 BIT
    CHEMBL1231358
    DB01944
    ZINC000002526884    		 5 C18 H16 N2 O2 InChI=1S/C18H16N2O2/c1-12
    -7-8-15-14(11-12)16(21)18
    (22)9-10-20(17(18)19-15)1
    3-5-3-2-4-6-13/h2-8,11,22
    H,9-10H2,1H3/t18-/m1/s1;
    LZAXPYOBKSJSEX-GOSISDBHSA-N    		 Cc1ccc2N=C3N(CC[C@@]3(O)C(=O)c2c1)c4cccc
    c4; O=C2c4c(N=C3N(c1ccccc1)CCC23O)ccc(c4
    )C; Cc1ccc2N=C3N(CC[C]3(O)C(=O)c2c1)c4cc
    ccc4; Cc1ccc2c(c1)C(=O)C3(CCN(C3=N2)c4cc
    ccc4)O; Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N
    2)c4ccccc4)O    		 (-)-1-PHENYL-1,2,3,4-TETRAHYDRO-4-HYDROXYPYRROLO[2,3-B]-7-METHYLQUINOLIN-4-ONE;
    (S)-BLEBBISTATIN;
    (3AS)-3A-HYDROXY-6-METHYL-1-PHENYL-3,3A-DIHYDRO-1H-PYRROLO[2,3-B]QUINOLIN-4(2H)-ONE
    14958 BIU
    ZINC000058627067    		 0 C6 H12 Br N O2 InChI=1S/C6H12BrNO2/c1-4(
    2-3-7)5(8)6(9)10/h4-5H,2-
    3,8H2,1H3,(H,9,10)/t4-,5-
    /m0/s1;
    NKCINOJOELVWGT-WHFBIAKZSA-N    		 CC(CCBr)C(C(=O)O)N; C[C@@H](CCBr)[C@@H](
    C(=O)O)N; BrCCC(C(N)C(=O)O)C; C[C@@H](CC
    Br)[C@H](N)C(O)=O; C[CH](CCBr)[CH](N)C(O
    )=O    		 5-bromo-L-isoleucine
    14959 BIV
    CHEMBL94219
    ZINC000013558331    		 6 C32 H54 O4 InChI=1S/C32H54O4/c1-22-2
    5(20-26(33)21-29(22)34)14
    -13-24-12-9-19-32(6)27(15
    -16-28(24)32)23(10-7-17-3
    0(2,3)35)11-8-18-31(4,5)3
    6/h13-14,23,26-29,33-36H,
    1,7-12,15-21H2,2-6H3/b24-
    13+,25-14-/t26-,27-,28+,2
    9+,32-/m1/s1;
    WTQXZYVWLNPNEX-LKUPKUSPSA-N    		 OC3C(=C)/C(=C\C=C1/CCCC2(C)C(C(CCCC(O)(C
    )C)CCCC(O)(C)C)CCC12)CC(O)C3; CC12CCCC(=
    CC=C3CC(CC(C3=C)O)O)C1CCC2C(CCCC(C)(C)O)
    CCCC(C)(C)O; CC(C)(O)CCCC(CCCC(C)(C)O)[C
    @H]1CC[C@H]2C(/CCC[C@]12C)=C/C=C3/C[C@@H
    ](O)C[C@H](O)C3=C; C[C@]12CCC/C(=C\C=C/3
    \C[C@H](C[C@@H](C3=C)O)O)/[C@@H]1CC[C@@H
    ]2C(CCCC(C)(C)O)CCCC(C)(C)O; CC(C)(O)CCC
    C(CCCC(C)(C)O)[CH]1CC[CH]2C(CCC[C]12C)=C
    C=C3C[CH](O)C[CH](O)C3=C    		 21-NOR-9,10-SECOCHOLESTA-5,7,10(19)-TRIENE-1,3,25-TRIOL, 20-(4-HYDROXY-4-METHYLPENTYL)-, (1A,3B,5Z,7E);
    GEMINI
    14960 BIW
    CHEMBL604956
    ZINC000038851281    		 1 C27 H30 N2 O6 InChI=1S/C27H30N2O6/c30-2
    3(28-11-8-18(9-12-28)26(3
    1)32)15-29-22-14-19(27(33
    )34)6-7-21(22)24(17-4-2-1
    -3-5-17)25(29)20-10-13-35
    -16-20/h6-7,10,13-14,16-1
    8H,1-5,8-9,11-12,15H2,(H,
    31,32)(H,33,34);
    AVHJWNFYNLONQR-UHFFFAOYSA-N    		 c1cc2c(cc1C(=O)O)n(c(c2C3CCCCC3)c4ccoc4)
    CC(=O)N5CCC(CC5)C(=O)O; O=C(O)C5CCN(C(=O
    )Cn2c1c(ccc(C(=O)O)c1)c(c2c3ccoc3)C4CCCC
    C4)CC5; OC(=O)C1CCN(CC1)C(=O)Cn2c3cc(ccc
    3c(C4CCCCC4)c2c5cocc5)C(O)=O    		 1-[2-(4-carboxypiperidin-1-yl)-2-oxoethyl]-3-cyclohexyl-2-furan-3-yl-1H-indole-6-carboxylic acid
    14961 BIX
    ZINC000040976445    		 2 C10 H18 N O8 P InChI=1S/C10H18NO8P/c11-7
    (10(16)17)3-4-20(18,19)5-
    6(9(14)15)1-2-8(12)13/h6-
    7H,1-5,11H2,(H,12,13)(H,1
    4,15)(H,16,17)(H,18,19)/t
    6-,7+/m1/s1;
    YLHAQDFYEKJARV-RQJHMYQMSA-N    		 C(CC(=O)O)C(CP(=O)(CCC(C(=O)O)N)O)C(=O)O
    ; N[CH](CC[P](O)(=O)C[CH](CCC(O)=O)C(O)=
    O)C(O)=O; C(CC(=O)O)[C@H](C[P@](=O)(CC[C
    @@H](C(=O)O)N)O)C(=O)O; O=C(O)CCC(C(=O)O
    )CP(=O)(O)CCC(C(=O)O)N; N[C@@H](CC[P@@](
    O)(=O)C[C@@H](CCC(O)=O)C(O)=O)C(O)=O    		 (2S)-2-{[(S)-[(3S)-3-amino-3-carboxypropyl](hydroxy)phosphoryl]methyl}pentanedioic acid
    14962 BIY 6 C8 H11 N O4 S InChI=1S/C8H11NO4S/c1-8(2
    )5(7(12)13)9-3-4(14-8)6(1
    0)11/h3,5,9H,1-2H3,(H,10,
    11)(H,12,13)/t5-/m0/s1;
    VSZLPINYHQLOJH-YFKPBYRVSA-N    		 CC1([C@@H](NC=C(S1)C(=O)O)C(=O)O)C; CC1(
    C)SC(=CN[C@H]1C(O)=O)C(O)=O; O=C(O)C=1SC
    (C)(C)C(C(=O)O)NC=1; CC1(C)SC(=CN[CH]1C(
    O)=O)C(O)=O; CC1(C(NC=C(S1)C(=O)O)C(=O)O
    )C    		 (3S)-2,2-dimethyl-3,4-dihydro-2H-1,4-thiazine-3,6-dicarboxylic acid
    14963 BIZ
    ZINC000098208700    		 0 C43 H38 N8 O5 InChI=1S/C43H38N8O5/c1-19
    -15-44-39-33(52)13-31-35(
    37(19)39)21(3)17-50(31)41
    (54)29-11-23-9-25(5-7-27(
    23)48-29)46-43(56)47-26-6
    -8-28-24(10-26)12-30(49-2
    8)42(55)51-18-22(4)36-32(
    51)14-34(53)40-38(36)20(2
    )16-45-40/h5-16,21-22,44-
    45,48-49,52-53H,17-18H2,1
    -4H3,(H2,46,47,56)/t21-,2
    2-/m1/s1;
    OAOMXBKMJIBOHZ-FGZHOGPDSA-N    		 Cc1c[nH]c2c1c3c(cc2O)N(CC3C)C(=O)c4cc5cc
    (ccc5[nH]4)NC(=O)Nc6ccc7c(c6)cc([nH]7)C(
    =O)N8CC(c9c8cc(c1c9c(c[nH]1)C)O)C; C[CH]
    1CN(C(=O)c2[nH]c3ccc(NC(=O)Nc4ccc5[nH]c(
    cc5c4)C(=O)N6C[CH](C)c7c6cc(O)c8[nH]cc(C
    )c78)cc3c2)c9cc(O)c%10[nH]cc(C)c%10c19;
    Cc1c[nH]c2c1c3c(cc2O)N(C[C@H]3C)C(=O)c4c
    c5cc(ccc5[nH]4)NC(=O)Nc6ccc7c(c6)cc([nH]
    7)C(=O)N8C[C@H](c9c8cc(c1c9c(c[nH]1)C)O)
    C; C[C@@H]1CN(C(=O)c2[nH]c3ccc(NC(=O)Nc4
    ccc5[nH]c(cc5c4)C(=O)N6C[C@@H](C)c7c6cc(
    O)c8[nH]cc(C)c78)cc3c2)c9cc(O)c%10[nH]cc
    (C)c%10c19; O=C(N3c2cc(O)c1c(c(cn1)C)c2C
    (C)C3)c5cc4cc(ccc4n5)NC(=O)Nc6cc7cc(nc7c
    c6)C(=O)N%10c9cc(O)c8c(c(cn8)C)c9C(C)C%1
    0    		 BIZELESIN
    14964 BJ1 1 C10 H20 O10 S2 InChI=1S/C10H20O10S2/c11-
    1-5(13)10(20-22(17,18)19)
    7(15)4-21-3-6(14)9(16)8(2
    1)2-12/h5-16H,1-4H2/t5-,6
    +,7+,8+,9-,10+,21-/m0/s1;
    RJAPJYRCCYZVIU-BZCOVLGNSA-N    		 OC[C@H](O)[C@@H](O[S]([O-])(=O)=O)[C@H](
    O)C[S@+]1C[C@@H](O)[C@H](O)[C@H]1CO; C1C
    (C(C([S+]1CC(C(C(CO)O)OS(=O)(=O)[O-])O)C
    O)O)O; C1[C@H]([C@@H]([C@H]([S@@+]1C[C@H
    ]([C@@H]([C@H](CO)O)OS(=O)(=O)[O-])O)CO)
    O)O; OC[CH](O)[CH](O[S]([O-])(=O)=O)[CH]
    (O)C[S+]1C[CH](O)[CH](O)[CH]1CO    		 (1R,2S)-1-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate
    14965 BJ2
    CHEMBL4068536    		 10 C18 H28 N4 O8 InChI=1S/C18H28N4O8/c1-9(
    15(25)22-7-3-5-12(22)17(2
    7)28)20-14(18(29)30)11-4-
    2-6-21(11)16(26)10(19)8-1
    3(23)24/h9-12,14,20H,2-8,
    19H2,1H3,(H,23,24)(H,27,2
    8)(H,29,30)/t9-,10-,11-,1
    2-,14-/m0/s1;
    AEFOOLCGQAWEBH-JNLQPACOSA-N    		 C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([
    C@@H]2CCCN2C(=O)[C@H](CC(=O)O)N)C(=O)O;
    C[C@H](N[C@@H]([C@@H]1CCCN1C(=O)[C@@H](N
    )CC(O)=O)C(O)=O)C(=O)N2CCC[C@H]2C(O)=O;
    CC(C(=O)N1CCCC1C(=O)O)NC(C2CCCN2C(=O)C(C
    C(=O)O)N)C(=O)O; C[CH](N[CH]([CH]1CCCN1C
    (=O)[CH](N)CC(O)=O)C(O)=O)C(=O)N2CCC[CH]
    2C(O)=O    		 (2~{S})-1-[(2~{S})-2-[[(1~{S})-1-[(2~{S})-1-[(2~{S})-2-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
    14966 BJ3 2 C62 H84 N11 O9 P S InChI=1S/C62H84N11O9PS/c6
    3-61(64)66-36-20-34-56(83
    (80,81-45-25-10-3-11-26-4
    5)82-46-27-12-4-13-28-46)
    72-60(78)51(39-44-40-67-4
    8-30-16-15-29-47(44)48)70
    -59(77)50(38-43-23-8-2-9-
    24-43)69-58(76)49(37-42-2
    1-6-1-7-22-42)68-55(75)33
    -14-5-19-35-65-54(74)32-1
    8-17-31-53-57-52(41-84-53
    )71-62(79)73-57/h1,3-4,6-
    7,10-13,15-16,21-22,25-30
    ,43-44,49-53,56-57,67H,2,
    5,8-9,14,17-20,23-24,31-4
    1H2,(H,65,74)(H,68,75)(H,
    69,76)(H,70,77)(H,72,78)(
    H4,63,64,66)(H2,71,73,79)
    /t44-,49-,50+,51+,52?,53?
    ,56-,57?/m1/s1;
    LQPBNVJSYRBAJH-ADPDYCRISA-N    		 NC(=N)NCCC[CH](NC(=O)[CH](C[CH]1CNc2cccc
    c12)NC(=O)[CH](CC3CCCCC3)NC(=O)[CH](Cc4c
    cccc4)NC(=O)CCCCCNC(=O)CCCCC5SCC6NC(=O)N
    C56)[P](=O)(Oc7ccccc7)Oc8ccccc8; NC(=N)N
    CCC[C@H](NC(=O)[C@H](C[C@@H]1CNc2ccccc12
    )NC(=O)[C@H](CC3CCCCC3)NC(=O)[C@@H](Cc4c
    cccc4)NC(=O)CCCCCNC(=O)CCCCC5SCC6NC(=O)N
    C56)[P](=O)(Oc7ccccc7)Oc8ccccc8; c1ccc(c
    c1)CC(C(=O)NC(CC2CCCCC2)C(=O)NC(CC3CNc4c
    3cccc4)C(=O)NC(CCCNC(=N)N)P(=O)(Oc5ccccc
    5)Oc6ccccc6)NC(=O)CCCCCNC(=O)CCCCC7C8C(C
    S7)NC(=O)N8; [H]/N=C(\N)/NCCC[C@H](NC(=O
    )[C@H](C[C@@H]1CNc2c1cccc2)NC(=O)[C@H](C
    C3CCCCC3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)CC
    CCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)P(=O)(Oc
    7ccccc7)Oc8ccccc8    		 ~{N}-[(2~{R})-1-[[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-3-cyclohexyl-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-6-[5-[(4~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanamide
    14967 BJ4
    CHEMBL3827329
    ZINC000039343284    		 2 C16 H14 N2 O2 InChI=1S/C16H14N2O2/c1-10
    -6-8-11(9-7-10)15-17-14-1
    2(16(19)18-15)4-3-5-13(14
    )20-2/h3-9H,1-2H3,(H,17,1
    8,19);
    JKCKQJATUNERKN-UHFFFAOYSA-N    		 Cc1ccc(cc1)C2=Nc3c(cccc3OC)C(=O)N2; COc1
    cccc2C(=O)NC(=Nc12)c3ccc(C)cc3    		 8-methoxy-2-(4-methylphenyl)-3,4-dihydroquinazolin-4-one
    14968 BJ5 1 C25 H45 Fe N6 O8 InChI=1S/C25H45N6O8.Fe/c1
    -21(32)29(37)18-9-3-6-16-
    27-22(33)12-14-25(36)31(3
    9)20-10-4-7-17-28-23(34)1
    1-13-24(35)30(38)19-8-2-5
    -15-26;/h2-20,26H2,1H3,(H
    ,27,33)(H,28,34);/q-3;+3;
    SRMBQCVUAVULDJ-UHFFFAOYSA-N    		 CC(=O)[N@]1CCCCCNC(=O)CCC(=O)[N@@]2CCCCC
    NC(=O)CCC(=O)N(CCCCCN)O[Fe](O1)O2; CC1=O
    [Fe]2345O=C(CCC(=O)NCCCCCN1O2)N(O3)CCCCC
    NC(=O)CCC(=O4)N(O5)CCCCCN; CC(=O)[N]1CCC
    CCNC(=O)CCC(=O)[N]2CCCCCNC(=O)CCC(=O)N(C
    CCCCN)O[Fe](O1)O2    		 desferrioxamine B
    14969 BJ6
    CHEMBL1071
    DB00991
    ZINC000049643479    		 2 C18 H15 N O3 InChI=1S/C18H15NO3/c20-16
    (21)12-11-15-19-17(13-7-3
    -1-4-8-13)18(22-15)14-9-5
    -2-6-10-14/h1-10H,11-12H2
    ,(H,20,21);
    OFPXSFXSNFPTHF-UHFFFAOYSA-N    		 c1ccc(cc1)c2c(oc(n2)CCC(=O)O)c3ccccc3; O
    C(=O)CCc1oc(c2ccccc2)c(n1)c3ccccc3    		 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
    14970 BJ8 13 Fe8 S9 InChI=1S/8Fe.9S;
    CSVVAMDLRWBOEA-UHFFFAOYSA-N    		 S1[Fe]S[Fe]1.S2[Fe]S[Fe]2.S3[Fe]S[Fe]3S[
    Fe]4S[Fe]S4; S([Fe]12[S]3[Fe]4[S]1[Fe]5[
    S]4[Fe]3[S]25)[Fe]67[S]8[Fe]9[S]6[Fe]1[S
    ]9[Fe]8[S]71    		 Double cubane cluster
    14971 BJ9
    CHEMBL2424872
    ZINC000027729171    		 2 C17 H23 N5 O14 InChI=1S/C17H23N5O14/c18-
    5(7(24)4(23)2-35-16(19)33
    )12(28)20-6(15(31)32)10-8
    (25)9(26)13(36-10)22-1-3(
    14(29)30)11(27)21-17(22)3
    4/h1,4-10,13,23-26H,2,18H
    2,(H2,19,33)(H,20,28)(H,2
    9,30)(H,31,32)(H,21,27,34
    )/t4-,5-,6-,7+,8-,9+,10+,
    13+/m0/s1;
    JPFWJDMDPLEUBD-ITJAGOAWSA-N    		 C1=C(C(=O)NC(=O)N1[C@H]2[C@@H]([C@@H]([C
    @H](O2)[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](
    [C@H](COC(=O)N)O)O)N)O)O)C(=O)O; N[CH]([
    CH](O)[CH](O)COC(N)=O)C(=O)N[CH]([CH]1O[
    CH]([CH](O)[CH]1O)N2C=C(C(O)=O)C(=O)NC2=
    O)C(O)=O; NC(=O)OCC(O)C(O)C(N)C(=O)NC(C1
    OC(N2C=C(C(=O)NC2=O)C(=O)O)C(O)C1O)C(=O)
    O; C1=C(C(=O)NC(=O)N1C2C(C(C(O2)C(C(=O)O
    )NC(=O)C(C(C(COC(=O)N)O)O)N)O)O)C(=O)O;
    N[C@@H]([C@H](O)[C@@H](O)COC(N)=O)C(=O)N
    [C@@H]([C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C
    =C(C(O)=O)C(=O)NC2=O)C(O)=O    		 1-{(2R,3R,4S,5R)-5-[(S)-{[(2S,3S,4S)-2-amino-5-(carbamoyloxy)-3,4-dihydroxypentanoyl]amino}(carboxy)methyl]-3,4-dihydroxyoxolan-2-yl}-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid (non-preferred name);
    Polyoxin d
    14972 BJA
    CHEMBL1229259
    ZINC000058548617    		 1 C26 H36 N8 O4 S InChI=1S/C26H36N8O4S/c27-
    23(28)20-12-10-18(11-13-2
    0)16-32-24(35)22-9-5-15-3
    4(22)25(36)21(8-4-14-31-2
    6(29)30)33-39(37,38)17-19
    -6-2-1-3-7-19/h1-3,6-7,10
    -13,21-22,33H,4-5,8-9,14-
    17H2,(H3,27,28)(H,32,35)(
    H4,29,30,31)/t21-,22+/m1/
    s1;
    QKFCYPKTTJCUSZ-YADHBBJMSA-N    		 c1ccc(cc1)CS(=O)(=O)NC(CCCNC(=N)N)C(=O)N
    2CCCC2C(=O)NCc3ccc(cc3)C(=N)N; O=C(NCc1c
    cc(C(=[N@H])N)cc1)C3N(C(=O)C(NS(=O)(=O)C
    c2ccccc2)CCCNC(=[N@H])N)CCC3; NC(=N)NCCC
    [C@@H](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[
    C@H]2C(=O)NCc3ccc(cc3)C(N)=N; [H]/N=C(/c
    1ccc(cc1)CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](
    CCCN/C(=N/[H])/N)NS(=O)(=O)Cc3ccccc3)\N;
    NC(=N)NCCC[CH](N[S](=O)(=O)Cc1ccccc1)C(
    =O)N2CCC[CH]2C(=O)NCc3ccc(cc3)C(N)=N    		 (2S)-1-[(2R)-2-(benzylsulfonylamino)-5-guanidino-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide
    14973 BJB
    CHEMBL4091374
    DB14801    		 5 C19 H15 Cl N2 O4 S2 InChI=1S/C19H15ClN2O4S2/c
    20-13-4-7-17-12(8-13)9-14
    (2-1-3-19(23)24)22(17)28(
    25,26)15-5-6-16-18(10-15)
    27-11-21-16/h4-11H,1-3H2,
    (H,23,24);
    OQDQIFQRNZIEEJ-UHFFFAOYSA-N    		 OC(=O)CCCc1cc2cc(Cl)ccc2n1[S](=O)(=O)c3c
    cc4ncsc4c3; c1cc2c(cc1S(=O)(=O)n3c4ccc(c
    c4cc3CCCC(=O)O)Cl)scn2    		 4-[1-(1,3-benzothiazol-6-ylsulfonyl)-5-chloro-indol-2-yl]butanoic acid
    14974 BJC
    ZINC000044460281    		 3 C35 H51 N3 O3 InChI=1S/C35H51N3O3/c1-25
    (2)28-15-10-14-27(20-28)2
    3-36-24-32(39)31(21-26-12
    -6-5-7-13-26)37-34(41)29-
    16-11-17-30(22-29)35(3,4)
    38-19-9-8-18-33(38)40/h5-
    7,10,12-15,20,25,29-32,36
    ,39H,8-9,11,16-19,21-24H2
    ,1-4H3,(H,37,41)/t29-,30+
    ,31+,32-/m1/s1;
    MFPZDLDVZIAMTN-OKDNLZPVSA-N    		 CC(C)c1cccc(CNC[CH](O)[CH](Cc2ccccc2)NC(
    =O)[CH]3CCC[CH](C3)C(C)(C)N4CCCCC4=O)c1;
    CC(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2
    )NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(C)N4CCCC
    C4=O)c1; CC(C)c1cccc(c1)CNC[C@H]([C@H](C
    c2ccccc2)NC(=O)[C@@H]3CCC[C@@H](C3)C(C)(
    C)N4CCCCC4=O)O; CC(C)c1cccc(c1)CNCC(C(Cc
    2ccccc2)NC(=O)C3CCCC(C3)C(C)(C)N4CCCCC4=
    O)O    		 (1R,3S)-N-[(1S,2R)-1-benzyl-2-hydroxy-3-{[3-(1-methylethyl)benzyl]amino}propyl]-3-[1-methyl-1-(2-oxopiperidin-1-yl)ethy l]cyclohexanecarboxamide;
    (1R,3S)-3-[1-Methyl-1-(2-oxo-piperidin-1-yl)-ethyl]-cyclohexanecarboxylic acid [(1S,2R)-1-benzyl-2-hydroxy-3-(3-isopropyl-benzylamino)-propyl]-amide
    14975 BJD 3 C36 H39 Cl2 N5 O3 S InChI=1S/C36H39Cl2N5O3S/c
    1-47(44,45)42-17-14-35-32
    (26-42)36(40-43(35)16-5-1
    5-41-18-20-46-21-19-41)30
    -11-13-33(37)29(23-30)10-
    8-27-9-12-34(38)31(22-27)
    25-39-24-28-6-3-2-4-7-28/
    h2-4,6-7,9,11-13,22-23,39
    H,5,14-21,24-26H2,1H3;
    IZBBHSKSQLPYHT-UHFFFAOYSA-N    		 C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1)
    c4ccc(Cl)c(c4)C#Cc5ccc(Cl)c(CNCc6ccccc6)
    c5; CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c
    4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)C
    l)C1; Clc1c(cc(cc1)C#Cc2c(ccc(c2)c4c3CN(
    S(=O)(=O)C)CCc3n(n4)CCCN5CCOCC5)Cl)CNCc6
    ccccc6    		 N-benzyl-1-{2-chloro-5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]phenyl}methanamine
    14976 BJE
    ZINC000003956782    		 9 C9 H10 N2 O5 InChI=1S/C9H10N2O5/c12-3-
    4-6(14)7-8(15-4)11-2-1-5(
    13)10-9(11)16-7/h1-2,4,6-
    8,12,14H,3H2/t4-,6-,7-,8-
    /m1/s1;
    UUGITDASWNOAGG-XVFCMESISA-N    		 C1=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)
    OC2=NC1=O; C1=CN2C3C(C(C(O3)CO)O)OC2=NC1
    =O; OC[C@H]1O[C@@H]2[C@H](OC3=NC(=O)C=CN
    23)[C@@H]1O; OC[CH]1O[CH]2[CH](OC3=NC(=O
    )C=CN23)[CH]1O    		 2,2'-Anhydro-(1-beta-D-ribofuranosyl)uracil;
    Anhydrouridine;
    2,2'-ANHYDROURIDINE;
    CYCLOURIDINE
    14977 BJF 0 C14 H25 N3 O3 InChI=1S/C14H25N3O3/c1-8(
    2)5-10(15)13-16-11(6-9(3)
    4)14(20)17(13)7-12(18)19/
    h8-10,20H,5-7,15H2,1-4H3,
    (H,18,19)/t10-/m0/s1;
    ZLWZOWAVQYOHMA-JTQLQIEISA-N    		 CC(C)C[C@H](N)c1nc(CC(C)C)c(O)n1CC(O)=O;
    CC(C)Cc1c(n(c(n1)C(CC(C)C)N)CC(=O)O)O;
    CC(C)Cc1c(n(c(n1)[C@H](CC(C)C)N)CC(=O)O)
    O; CC(C)C[CH](N)c1nc(CC(C)C)c(O)n1CC(O)=
    O; Oc1c(CC(C)C)nc(C(N)CC(C)C)n1CC(O)=O    		 {2-[(1S)-1-amino-3-methylbutyl]-5-hydroxy-4-(2-methylpropyl)-1H-imidazol-1-yl}acetic acid;
    CHROMOPHORE (LEU-LEU-GLY)
    14978 BJG
    CHEMBL3330121
    ZINC000098208701    		 1 C28 H30 Cl N7 O InChI=1S/C28H30ClN7O/c1-1
    8-4-5-19(29)16-22(18)26-2
    3(27(30)37)17-25(35(26)3)
    24-10-11-31-28(33-24)32-2
    0-6-8-21(9-7-20)36-14-12-
    34(2)13-15-36/h4-11,16-17
    H,12-15H2,1-3H3,(H2,30,37
    )(H,31,32,33);
    GTPKZTQLTICGMS-UHFFFAOYSA-N    		 Clc1cc(c(cc1)C)c2c(C(=O)N)cc(n2C)c3nc(nc
    c3)Nc4ccc(cc4)N5CCN(C)CC5; CN1CCN(CC1)c2
    ccc(Nc3nccc(n3)c4cc(C(N)=O)c(n4C)c5cc(Cl
    )ccc5C)cc2; Cc1ccc(cc1c2c(cc(n2C)c3ccnc(
    n3)Nc4ccc(cc4)N5CCN(CC5)C)C(=O)N)Cl    		 2-(5-chloro-2-methylphenyl)-1-methyl-5-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)-1H-pyrrole-3-carboxamide
    14979 BJH
    DB07464
    ZINC000169748495    		 1 C11 H14 B N O6 InChI=1S/C11H14BNO6/c1-6(
    14)13-9(12(18)19)5-7-3-2-
    4-8(10(7)15)11(16)17/h2-4
    ,9,15,18-19H,5H2,1H3,(H,1
    3,14)(H,16,17)/t9-/m0/s1;
    MSRKDROGGGBNIX-VIFPVBQESA-N    		 CC(=O)N[CH](Cc1cccc(C(O)=O)c1O)B(O)O; B(
    C(Cc1cccc(c1O)C(=O)O)NC(=O)C)(O)O; O=C(O
    )c1cccc(c1O)CC(B(O)O)NC(=O)C; B([C@H](Cc
    1cccc(c1O)C(=O)O)NC(=O)C)(O)O; CC(=O)N[C
    @@H](Cc1cccc(C(O)=O)c1O)B(O)O    		 1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-HYDROXYPHENYL)ETHYL BORONIC ACID
    14980 BJI
    CHEMBL1231367
    DB02614
    ZINC000169748475    		 1 C11 H14 B N O5 InChI=1S/C11H14BNO5/c1-7(
    14)13-10(12(17)18)6-8-3-2
    -4-9(5-8)11(15)16/h2-5,10
    ,17-18H,6H2,1H3,(H,13,14)
    (H,15,16)/t10-/m0/s1;
    OBZSRKUYUGJGIM-JTQLQIEISA-N    		 CC(=O)N[CH](Cc1cccc(c1)C(O)=O)B(O)O; B(C
    (Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O; CC(=O)N
    [C@@H](Cc1cccc(c1)C(O)=O)B(O)O; B([C@H](
    Cc1cccc(c1)C(=O)O)NC(=O)C)(O)O; O=C(O)c1
    cc(ccc1)CC(NC(=O)C)B(O)O    		 1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
    14981 BJJ 2 C36 H43 Cl2 N5 O3 S InChI=1S/C36H43Cl2N5O3S/c
    1-47(44,45)42-17-14-35-32
    (26-42)36(40-43(35)16-5-1
    5-41-18-20-46-21-19-41)30
    -11-13-33(37)29(23-30)10-
    8-27-9-12-34(38)31(22-27)
    25-39-24-28-6-3-2-4-7-28/
    h2-4,6-7,9,11-13,22-23,39
    H,5,8,10,14-21,24-26H2,1H
    3;
    ZWXXUSFMMWHRMT-UHFFFAOYSA-N    		 CS(=O)(=O)N1CCc2c(c(nn2CCCN3CCOCC3)c4ccc
    (c(c4)CCc5ccc(c(c5)CNCc6ccccc6)Cl)Cl)C1;
    C[S](=O)(=O)N1CCc2n(CCCN3CCOCC3)nc(c2C1
    )c4ccc(Cl)c(CCc5ccc(Cl)c(CNCc6ccccc6)c5)
    c4; c12CN(CCc1n(nc2c3ccc(Cl)c(c3)CCc4ccc
    (c(c4)CNCc5ccccc5)Cl)CCCN6CCOCC6)S(C)(=O
    )=O    		 N-benzyl-1-{2-chloro-5-[2-(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethyl]phenyl}methanamine
    14982 BJK 1 C8 H12 N O2 InChI=1S/C8H11NO2/c1-11-8
    -3-2-6(5-9)4-7(8)10/h2-4,
    10H,5,9H2,1H3/p+1;
    HJIDMVZCXORAIG-UHFFFAOYSA-O    		 COc1ccc(C[NH3+])cc1O; COc1ccc(cc1O)C[NH3
    +]    		 (4-methoxy-3-oxidanyl-phenyl)methylazanium
    14983 BJL 3 C15 H19 N O7 InChI=1S/C15H19NO7/c1-2-2
    3-15(22)12(18)8-13(19)16-
    11(14(20)21)7-9-3-5-10(17
    )6-4-9/h3-6,11-12,17-18H,
    2,7-8H2,1H3,(H,16,19)(H,2
    0,21)/t11-,12+/m0/s1;
    NGFYRWHZMJJCIF-NWDGAFQWSA-N    		 C(c1ccc(cc1)O)C(C(O)=O)NC(CC(O)C(OCC)=O)
    =O; CCOC(=O)C(CC(=O)NC(Cc1ccc(cc1)O)C(=O
    )O)O; CCOC(=O)[C@H](O)CC(=O)N[C@@H](Cc1c
    cc(O)cc1)C(O)=O; CCOC(=O)[CH](O)CC(=O)N[
    CH](Cc1ccc(O)cc1)C(O)=O; CCOC(=O)[C@@H](
    CC(=O)N[C@@H](Cc1ccc(cc1)O)C(=O)O)O    		 N-[(3R)-4-ethoxy-3-hydroxy-4-oxobutanoyl]-L-tyrosine
    14984 BJM 2 C18 H27 N3 O2 InChI=1S/C18H27N3O2/c19-8
    -13-2-12-3-14(12)21(13)16
    (22)15(20)17-4-10-1-11(5-
    17)7-18(23,6-10)9-17/h8,1
    0-15,19,23H,1-7,9,20H2/t1
    0-,11+,12-,13+,14+,15-,17
    +,18-/m1/s1;
    KMSQNYQXZPWGMJ-YQBUGCKMSA-N    		 C1C2CC2N(C1C=N)C(=O)C(C34CC5CC(C3)CC(C5)
    (C4)O)N; N[C@H](C(=O)N1[C@@H](C[C@@H]2C[
    C@H]12)C=N)C34C[C@H]5C[C@H](CC(O)(C5)C3)
    C4; C1[C@@H]2C[C@@H]2N([C@@H]1C=N)C(=O)[
    C@H](C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)N;
    N[CH](C(=O)N1[CH](C[CH]2C[CH]12)C=N)C34
    C[CH]5C[CH](CC(O)(C5)C3)C4    		 (2~{S})-2-azanyl-1-[(1~{S},3~{S},5~{S})-3-(iminomethyl)-2-azabicyclo[3.1.0]hexan-2-yl]-2-[(5~{R},7~{S})-3-oxidanyl-1-ad amantyl]ethanone;
    Saxagliptin, bound form
    14985 BJN 0 C7 H11 N2 InChI=1S/C7H10N2/c8-4-3-7
    -2-1-5-9-6-7/h1-2,5-6H,3-
    4,8H2/p+1;
    NAHHNSMHYCLMON-UHFFFAOYSA-O    		 c1cc(cnc1)CC[NH3+]; [NH3+]CCc1cccnc1 2-pyridin-3-ylethylazanium
    14986 BJO 0 C16 H15 N3 O6 InChI=1S/C16H15N3O6/c17-1
    1(5-6-13(21)22)15-18-12(1
    6(25)19(15)8-14(23)24)7-9
    -1-3-10(20)4-2-9/h1-4,7H,
    5-6,8,17H2,(H,21,22)(H,23
    ,24)/b15-11-;
    XGBHJLIZOKMMSK-PTNGSMBKSA-N    		 C1=CC(=O)C=CC1=CC2=NC(=C(CCC(=O)O)N)N(C2
    =O)CC(=O)O; NC(CCC(O)=O)=C1N=C(C=C2C=CC(
    =O)C=C2)C(=O)N1CC(O)=O; C1=CC(=O)C=CC1=C
    C2=N/C(=C(\CCC(=O)O)/N)/N(C2=O)CC(=O)O;
    NC(/CCC(O)=O)=C1/N=C(C=C2C=CC(=O)C=C2)C(
    =O)N1CC(O)=O; O=C(CC\C(=C2/N=C(\C=C1/C=C
    C(C=C1)=O)C(=O)N2CC(=O)O)N)O    		 (4Z)-4-amino-4-{1-(carboxymethyl)-5-oxo-4-[(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-1,5-dihydro-2H-imidazol-2-ylidene}butanoic acid;
    CHROMOPHORE (GLU-TYR-GLY)
    14987 BJP
    DB07466
    ZINC000169748496    		 1 C17 H18 B N O5 InChI=1S/C17H18BNO5/c20-1
    6(11-12-5-2-1-3-6-12)19-1
    5(18(23)24)10-13-7-4-8-14
    (9-13)17(21)22/h1-9,15,23
    -24H,10-11H2,(H,19,20)(H,
    21,22)/t15-/m0/s1;
    ZAHVYMBTUDWUAX-HNNXBMFYSA-N    		 B(C(Cc1cccc(c1)C(=O)O)NC(=O)Cc2ccccc2)(O
    )O; OB(O)[CH](Cc1cccc(c1)C(O)=O)NC(=O)Cc
    2ccccc2; O=C(O)c1cc(ccc1)CC(NC(=O)Cc2ccc
    cc2)B(O)O; OB(O)[C@H](Cc1cccc(c1)C(O)=O)
    NC(=O)Cc2ccccc2; B([C@H](Cc1cccc(c1)C(=O
    )O)NC(=O)Cc2ccccc2)(O)O    		 (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID
    14988 BJQ 0 C10 H14 N O2 InChI=1S/C10H13NO2/c1-13-
    10(12)9(11)7-8-5-3-2-4-6-
    8/h2-6,9H,7,11H2,1H3/p+1/
    t9-/m0/s1;
    VSDUZFOSJDMAFZ-VIFPVBQESA-O    		 COC(=O)[CH]([NH3+])Cc1ccccc1; COC(=O)[C@
    H](Cc1ccccc1)[NH3+]; COC(=O)C(Cc1ccccc1)
    [NH3+]; COC(=O)[C@@H]([NH3+])Cc1ccccc1    		 [(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium
    14989 BJR
    ZINC000032792138    		 2 C42 H85 N O8 P InChI=1S/C42H84NO8P/c1-6-
    8-10-12-14-16-18-20-21-23
    -25-27-29-31-33-35-42(45)
    51-40(39-50-52(46,47)49-3
    7-36-43(3,4)5)38-48-41(44
    )34-32-30-28-26-24-22-19-
    17-15-13-11-9-7-2/h40H,6-
    39H2,1-5H3/p+1/t40-/m1/s1;
    PZNPLUBHRSSFHT-RRHRGVEJSA-O    		 CCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC
    CCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C; O(
    C(COP(=O)(O)OCC[N+](C)(C)C)COC(=O)CCCCCC
    CCCCCCCCC)C(CCCCCCCCCCCCCCCCC)=O; CCCCCC
    CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC
    CCCCC)CO[P](O)(=O)OCC[N+](C)(C)C; CCCCCC
    CCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC
    C)COP(=O)(O)OCC[N+](C)(C)C; CCCCCCCCCCCC
    CCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)C
    O[P](O)(=O)OCC[N+](C)(C)C    		 (4S,7R)-7-[(hexadecanoyloxy)methyl]-4-hydroxy-N,N,N-trimethyl-4,9-dioxo-3,5,8-trioxa-4lambda~5~-phosphahexacosan-1-aminium
    14990 BJS 5 C38 H40 Cl2 N6 O3 InChI=1S/C38H40Cl2N6O3/c1
    -26-25-49-19-18-44(26)15-
    5-16-46-35-14-17-45(38(48
    )37(41)47)24-32(35)36(43-
    46)30-11-13-33(39)29(21-3
    0)10-8-27-9-12-34(40)31(2
    0-27)23-42-22-28-6-3-2-4-
    7-28/h2-4,6-7,9,11-13,20-
    21,26,42H,5,14-19,22-25H2
    ,1H3,(H2,41,47)/t26-/m0/s
    1;
    CIONECARUUEYBQ-SANMLTNESA-N    		 CC1COCCN1CCCn2c3c(c(n2)c4ccc(c(c4)C#Cc5c
    cc(c(c5)CNCc6ccccc6)Cl)Cl)CN(CC3)C(=O)C(
    =O)N; C[CH]1COCCN1CCCn2nc(c3ccc(Cl)c(c3)
    C#Cc4ccc(Cl)c(CNCc5ccccc5)c4)c6CN(CCc26)
    C(=O)C(N)=O; C[C@H]1COCCN1CCCn2c3c(c(n2)
    c4ccc(c(c4)C#Cc5ccc(c(c5)CNCc6ccccc6)Cl)
    Cl)CN(CC3)C(=O)C(=O)N; C[C@H]1COCCN1CCCn
    2nc(c3ccc(Cl)c(c3)C#Cc4ccc(Cl)c(CNCc5ccc
    cc5)c4)c6CN(CCc26)C(=O)C(N)=O; C(CCn2c1c
    (CN(C(C(=O)N)=O)CC1)c(n2)c3cc(c(cc3)Cl)C
    #Cc4ccc(c(c4)CNCc5ccccc5)Cl)N6CCOCC6C    		 2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3S)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide
    14991 BJT 4 C26 H56 O34 P4 InChI=1S/C26H56O34P4/c27-
    1-10(29)19(36)12(31)4-53-
    62(46,47)54-5-14(33)21(38
    )15(34)6-55-63(48,49)57-8
    -16(35)22(39)18(60-26-25(
    42)24(41)23(40)17(2-28)59
    -26)9-58-64(50,51)56-7-13
    (32)20(37)11(30)3-52-61(4
    3,44)45/h10-42H,1-9H2,(H,
    46,47)(H,48,49)(H,50,51)(
    H2,43,44,45)/t10-,11+,12+
    ,13-,14-,15+,16-,17-,18+,
    19-,20+,21-,22-,23-,24+,2
    5-,26-/m0/s1;
    DYIPZANUDJDCKR-AXBQPTFUSA-N    		 C(C1C(C(C(C(O1)OC(COP(=O)(O)OCC(C(C(COP(
    =O)(O)O)O)O)O)C(C(COP(=O)(O)OCC(C(C(COP(
    =O)(O)OCC(C(C(CO)O)O)O)O)O)O)O)O)O)O)O)O
    ; OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[
    CH](O)[CH](O)[CH](O)CO[P](O)(=O)OC[CH](O
    )[CH](O)[CH](CO[P](O)(=O)OC[CH](O)[CH](O
    )[CH](O)CO[P](O)(O)=O)O[CH]1O[CH](CO)[CH
    ](O)[CH](O)[CH]1O; OC[C@H](O)[C@H](O)[C@
    H](O)CO[P](O)(=O)OC[C@H](O)[C@H](O)[C@H]
    (O)CO[P](O)(=O)OC[C@H](O)[C@H](O)[C@@H](
    CO[P](O)(=O)OC[C@H](O)[C@H](O)[C@H](O)CO
    [P](O)(O)=O)O[C@@H]1O[C@@H](CO)[C@H](O)[
    C@@H](O)[C@@H]1O; C([C@H]1[C@@H]([C@H]([
    C@@H]([C@@H](O1)O[C@H](COP(=O)(O)OC[C@@H
    ]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)[C@H](
    [C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](COP(
    =O)(O)OC[C@H]([C@H]([C@H](CO)O)O)O)O)O)O
    )O)O)O)O)O)O    		 [(2~{R},3~{S},4~{S})-2-[(2~{S},3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4-bis(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4-tris(oxidanyl)-5-[oxidanyl-[(2~{R},3~{S},4~{S})-2,3,4,5-tetrakis(oxidanyl)pentoxy]phosphoryl]oxy-pentoxy]phosphoryl]oxy-pentyl] [(2~{S},3~{R},4~{R})-2,3,4-tris(oxidanyl)-5-phosphonooxy-pentyl] hydrogen phosphate
    14992 BJU 2 C16 H31 N O3 InChI=1S/C16H31NO3/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    15(18)17-14-16(19)20/h2-1
    4H2,1H3,(H,17,18)(H,19,20
    );
    DYUGTPXLDJQBRB-UHFFFAOYSA-N    		 C(CCCC(=O)NCC(O)=O)CCCCCCCCC; CCCCCCCCCC
    CCCC(=O)NCC(=O)O; CCCCCCCCCCCCCC(=O)NCC(
    O)=O    		 N-tetradecanoylglycine
    14993 BJV 1 C37 H42 Cl N5 O4 S InChI=1S/C37H42ClN5O4S/c1
    -46-36-14-10-28(23-32(36)
    26-39-25-29-7-4-3-5-8-29)
    9-11-30-24-31(12-13-34(30
    )38)37-33-27-42(48(2,44)4
    5)18-15-35(33)43(40-37)17
    -6-16-41-19-21-47-22-20-4
    1/h3-5,7-8,10,12-14,23-24
    ,39H,6,15-22,25-27H2,1-2H
    3;
    XDJYRFZPTINNSF-UHFFFAOYSA-N    		 COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4
    c5c(n(n4)CCCN6CCOCC6)CCN(C5)S(=O)(=O)C;
    COc1ccc(cc1CNCc2ccccc2)C#Cc3cc(ccc3Cl)c4
    nn(CCCN5CCOCC5)c6CCN(Cc46)[S](C)(=O)=O;
    C1CN(CCO1)CCCn5c6c(c(c2ccc(c(c2)C#Cc3ccc
    (c(c3)CNCc4ccccc4)OC)Cl)n5)CN(CC6)S(C)(=
    O)=O    		 N-benzyl-1-{5-[(2-chloro-5-{5-(methylsulfonyl)-1-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl}phenyl)ethynyl]-2-methoxyphenyl}methanamine
    14994 BJW 1 C48 H64 N10 O19 P2 S InChI=1S/C48H64N10O19P2S/
    c1-26(2)55-44(65)32(19-28
    -20-50-30-14-7-6-13-29(28
    )30)56-43(64)31(57-47(66)
    71-21-27-11-4-3-5-12-27)1
    5-8-9-18-54-48(17-10-16-3
    5(59)60)76-40-38(62)34(75
    -46(40)80-48)23-73-79(69,
    70)77-78(67,68)72-22-33-3
    7(61)39(63)45(74-33)58-25
    -53-36-41(49)51-24-52-42(
    36)58/h3-7,11-14,20,24-26
    ,31-34,37-40,45-46,50,54,
    61-63H,8-10,15-19,21-23H2
    ,1-2H3,(H,55,65)(H,56,64)
    (H,57,66)(H,59,60)(H,67,6
    8)(H,69,70)(H2,49,51,52)/
    t31-,32-,33+,34+,37+,38+,
    39+,40+,45+,46+,48+/m0/s1;
    XUCUAEBJCFCJBU-KVSCZEPFSA-N    		 CC(C)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O
    )[C@H](CCCCN[C@@]3(O[C@@H]4[C@@H]([C@H](
    O[C@@H]4S3)COP(=O)(O)OP(=O)(O)OC[C@@H]5[
    C@H]([C@H]([C@@H](O5)n6cnc7c6ncnc7N)O)O)
    O)CCCC(=O)O)NC(=O)OCc8ccccc8; CC(C)NC(=O
    )[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC
    CN[C@]3(CCCC(O)=O)O[C@@H]4[C@H](O)[C@@H]
    (CO[P](O)(=O)O[P](O)(=O)OC[C@H]5O[C@H]([
    C@H](O)[C@@H]5O)n6cnc7c(N)ncnc67)O[C@@H]
    4S3)NC(=O)OCc8ccccc8; CC(C)NC(=O)C(Cc1c[
    nH]c2c1cccc2)NC(=O)C(CCCCNC3(OC4C(C(OC4S
    3)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)n6cnc7
    c6ncnc7N)O)O)O)CCCC(=O)O)NC(=O)OCc8ccccc
    8; CC(C)NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(
    =O)[CH](CCCCN[C]3(CCCC(O)=O)O[CH]4[CH](O
    )[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]5O[CH
    ]([CH](O)[CH]5O)n6cnc7c(N)ncnc67)O[CH]4S
    3)NC(=O)OCc8ccccc8    		 4-[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-2-[[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]amino]-6-oxidanyl-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]butanoic acid
    14995 BJX
    CHEMBL1272
    DB00912
    ZINC000003798537    		 17 C27 H36 N2 O4 InChI=1S/C27H36N2O4/c1-4-
    33-25-17-20(12-13-22(25)2
    7(31)32)18-26(30)28-23(16
    -19(2)3)21-10-6-7-11-24(2
    1)29-14-8-5-9-15-29/h6-7,
    10-13,17,19,23H,4-5,8-9,1
    4-16,18H2,1-3H3,(H,28,30)
    (H,31,32)/t23-/m0/s1;
    FAEKWTJYAYMJKF-QHCPKHFHSA-N    		 CCOc1cc(ccc1C(=O)O)CC(=O)N[C@@H](CC(C)C)
    c2ccccc2N3CCCCC3; C(CC(c1ccccc1N2CCCCC2)
    NC(Cc3ccc(c(c3)OCC)C(=O)O)=O)(C)C; CCOc1
    cc(ccc1C(=O)O)CC(=O)NC(CC(C)C)c2ccccc2N3
    CCCCC3; CCOc1cc(CC(=O)N[CH](CC(C)C)c2ccc
    cc2N3CCCCC3)ccc1C(O)=O; CCOc1cc(CC(=O)N[
    C@@H](CC(C)C)c2ccccc2N3CCCCC3)ccc1C(O)=O    		 Repaglinide;
    2-ethoxy-4-[2-({(1S)-3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid
    14996 BJY 3 C29 H34 F3 N6 O4 S InChI=1S/C29H33F3N6O4S/c1
    -43(41,42)37-13-9-27-25(1
    8-37)28(20-2-4-21(5-3-20)
    29(30,31)32)34-38(27)16-2
    2(39)15-35-10-6-19(7-11-3
    5)23-14-33-26-8-12-36(40)
    17-24(23)26/h2-5,8,12,14,
    17,19,22,39-40H,6-7,9-11,
    13,15-16,18H2,1H3/p+1/t22
    -/m0/s1;
    OHGFFZPHDXPGML-QFIPXVFZSA-O    		 C[S](=O)(=O)N1CCc2n(C[CH](O)CN3CCC(CC3)c
    4c[nH]c5cc[n+](O)cc45)nc(c6ccc(cc6)C(F)(
    F)F)c2C1; c5(c1CN(CCc1n(CC(O)CN4CCC(c2cn
    c3cc[n+](cc23)O)CC4)n5)S(C)(=O)=O)c6ccc(
    cc6)C(F)(F)F; C[S](=O)(=O)N1CCc2n(C[C@@H
    ](O)CN3CCC(CC3)c4c[nH]c5cc[n+](O)cc45)nc
    (c6ccc(cc6)C(F)(F)F)c2C1; CS(=O)(=O)N1CC
    c2c(c(nn2CC(CN3CCC(CC3)c4c[nH]c5c4c[n+](
    cc5)O)O)c6ccc(cc6)C(F)(F)F)C1; CS(=O)(=O
    )N1CCc2c(c(nn2C[C@H](CN3CCC(CC3)c4c[nH]c
    5c4c[n+](cc5)O)O)c6ccc(cc6)C(F)(F)F)C1    		 5-hydroxy-3-{1-[(2S)-2-hydroxy-3-{5-(methylsulfonyl)-3-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl}propyl]piperidin-4-yl}-1H-pyrrolo[3,2-c]pyridin-5-ium
    14997 BJZ
    CHEMBL1098726
    ZINC000043130513    		 3 C26 H19 Cl2 N5 O4 InChI=1S/C26H19Cl2N5O4/c1
    -31-25(37)33(20-9-18(27)8
    -19(28)10-20)24(36)26(31)
    14-32(22-7-6-17(12-30-22)
    23(34)35)13-21(26)16-4-2-
    15(11-29)3-5-16/h2-10,12,
    21H,13-14H2,1H3,(H,34,35)
    /t21-,26+/m0/s1;
    LILGMDXLRPEBNH-HFZDXXHNSA-N    		 CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2c3ccc(cc3
    )C#N)c4ccc(cn4)C(=O)O)c5cc(cc(c5)Cl)Cl;
    O=C(O)c1ccc(nc1)N5CC(c2ccc(C#N)cc2)C3(C(
    =O)N(C(=O)N3C)c4cc(Cl)cc(Cl)c4)C5; CN1C(
    =O)N(C(=O)C12CN(CC2c3ccc(cc3)C#N)c4ccc(c
    n4)C(=O)O)c5cc(cc(c5)Cl)Cl; CN1C(=O)N(C(
    =O)[C@]12CN(C[C@H]2c3ccc(cc3)C#N)c4ccc(c
    n4)C(O)=O)c5cc(Cl)cc(Cl)c5; CN1C(=O)N(C(
    =O)[C]12CN(C[CH]2c3ccc(cc3)C#N)c4ccc(cn4
    )C(O)=O)c5cc(Cl)cc(Cl)c5    		 6-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl]pyridine-3-carboxylic acid
    14998 BK0
    CHEMBL556667
    ZINC000000362766    		 2 C12 H9 Cl N2 O InChI=1S/C12H9ClN2O/c13-9
    -4-3-5-10(8-9)15-12(16)11
    -6-1-2-7-14-11/h1-8H,(H,1
    5,16);
    SUYUTNCKIOLMAJ-UHFFFAOYSA-N    		 Clc1cccc(NC(=O)c2ccccn2)c1; c1ccnc(c1)C(
    =O)Nc2cccc(c2)Cl    		 N-(3-chlorophenyl)pyridine-2-carboxamide
    14999 BK1
    CHEMBL1231370
    ZINC000058638497    		 2 C19 H19 N5 InChI=1S/C19H19N5/c1-12(2
    )24-19-17(18(20)21-11-22-
    19)16(23-24)10-14-8-5-7-1
    3-6-3-4-9-15(13)14/h3-9,1
    1-12H,10H2,1-2H3,(H2,20,2
    1,22);
    QFGDRGRJMYSRIW-UHFFFAOYSA-N    		 n1c(c2c(nc1)n(nc2Cc4c3ccccc3ccc4)C(C)C)N
    ; CC(C)n1c2c(c(n1)Cc3cccc4c3cccc4)c(ncn2
    )N; CC(C)n1nc(Cc2cccc3ccccc23)c4c(N)ncnc
    14    		 1-(1-methylethyl)-3-(naphthalen-1-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    4-Amino-1-iso-propyl-3-(1-naphthylmethyl)pyrazolo[3,4-d]pyrimidine
    15000 BK2
    CHEMBL1231371
    ZINC000013831194    		 1 C19 H19 N5 InChI=1S/C19H19N5/c1-19(2
    ,3)24-18-15(17(20)21-11-2
    2-18)16(23-24)14-9-8-12-6
    -4-5-7-13(12)10-14/h4-11H
    ,1-3H3,(H2,20,21,22);
    ILKDWZKZLIHMFM-UHFFFAOYSA-N    		 CC(C)(C)n1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2
    )N; CC(C)(C)n1nc(c2ccc3ccccc3c2)c4c(N)nc
    nc14; n1c(c2c(nc1)n(nc2c4cc3ccccc3cc4)C(
    C)(C)C)N    		 1-tert-butyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    4-Amino-1-tert-butyl-3-(2-naphthyl)pyrazolo[3,4-d]pyrimidine
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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