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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    15001
    BK3
    CHEMBL1231372
    ZINC000058655566    		 2 C22 H24 N6 InChI=1S/C22H24N6/c23-21-
    20-19(12-17-6-3-5-16-4-1-
    2-7-18(16)17)27-28(22(20)
    26-14-25-21)13-15-8-10-24
    -11-9-15/h1-7,14-15,24H,8
    -13H2,(H2,23,25,26);
    MMRLNUFECMEMSQ-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2Cc3c4c(ncnc4n(n3)CC5CCNC
    C5)N; Nc1ncnc2n(CC3CCNCC3)nc(Cc4cccc5ccc
    cc45)c12; n1c(c2c(nc1)n(nc2Cc4c3ccccc3cc
    c4)CC5CCNCC5)N    		 3-(naphthalen-1-ylmethyl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    15002
    BK4
    CHEMBL1785020
    ZINC000071294976    		 1 C19 H19 N5 O InChI=1S/C19H19N5O/c1-11(
    2)24-19-16(18(20)21-10-22
    -19)17(23-24)14-5-4-13-9-
    15(25-3)7-6-12(13)8-14/h4
    -11H,1-3H3,(H2,20,21,22);
    YTSDNPLOCDVGNB-UHFFFAOYSA-N    		 COc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc(N)c3
    4; CC(C)n1c2c(c(n1)c3ccc4cc(ccc4c3)OC)c(
    ncn2)N; n1c(c2c(nc1)n(nc2c4cc3ccc(OC)cc3
    cc4)C(C)C)N    		 3-(6-methoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    RM-1-87
    15003
    BK5
    CHEMBL1785021
    ZINC000071295693    		 3 C20 H21 N5 O InChI=1S/C20H21N5O/c1-4-2
    6-16-8-7-13-9-15(6-5-14(1
    3)10-16)18-17-19(21)22-11
    -23-20(17)25(24-18)12(2)3
    /h5-12H,4H2,1-3H3,(H2,21,
    22,23);
    MJOCJDMQRCJQJF-UHFFFAOYSA-N    		 CCOc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)C(C)C
    )N; CCOc1ccc2cc(ccc2c1)c3nn(C(C)C)c4ncnc
    (N)c34; n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc
    3cc4)C(C)C)N    		 3-(6-ethoxynaphthalen-2-yl)-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    RM-1-89
    15004
    BK6
    CHEMBL2030553
    ZINC000084668816    		 1 C22 H24 N6 O InChI=1S/C22H24N6O/c1-29-
    18-5-4-15-10-17(3-2-16(15
    )11-18)20-19-21(23)25-13-
    26-22(19)28(27-20)12-14-6
    -8-24-9-7-14/h2-5,10-11,1
    3-14,24H,6-9,12H2,1H3,(H2
    ,23,25,26);
    MBHHJCMRPHUOAD-UHFFFAOYSA-N    		 COc1ccc2cc(ccc2c1)c3c4c(ncnc4n(n3)CC5CCN
    CC5)N; COc1ccc2cc(ccc2c1)c3nn(CC4CCNCC4)
    c5ncnc(N)c35; n1c(c2c(nc1)n(nc2c4cc3ccc(
    OC)cc3cc4)CC5CCNCC5)N    		 3-(6-methoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    RM-1-130
    15005
    BK7
    CHEMBL2030554
    ZINC000084669176    		 2 C23 H26 N6 O InChI=1S/C23H26N6O/c1-2-3
    0-19-6-5-16-11-18(4-3-17(
    16)12-19)21-20-22(24)26-1
    4-27-23(20)29(28-21)13-15
    -7-9-25-10-8-15/h3-6,11-1
    2,14-15,25H,2,7-10,13H2,1
    H3,(H2,24,26,27);
    DLMBMHOJKBPKLK-UHFFFAOYSA-N    		 n1c(c2c(nc1)n(nc2c4cc3ccc(OCC)cc3cc4)CC5
    CCNCC5)N; CCOc1ccc2cc(ccc2c1)c3nn(CC4CCN
    CC4)c5ncnc(N)c35; CCOc1ccc2cc(ccc2c1)c3c
    4c(ncnc4n(n3)CC5CCNCC5)N    		 3-(6-ethoxynaphthalen-2-yl)-1-(piperidin-4-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine;
    RM-1-132
    15006
    BK8
    ZINC000584905537    		 2 C24 H27 N5 O InChI=1S/C24H27N5O/c1-2-3
    0-20-6-5-17-13-19(4-3-18(
    17)14-20)21-11-16(15-29-9
    -7-26-8-10-29)12-22-23(21
    )24(25)28-27-22/h3-6,11-1
    4,26H,2,7-10,15H2,1H3,(H3
    ,25,27,28);
    ZBGMTSWSDGHDMV-UHFFFAOYSA-N    		 CCOc1ccc2cc(ccc2c1)c3cc(cc4c3c([nH]n4)N)
    CN5CCNCC5; CCOc1ccc2cc(ccc2c1)c3cc(CN4CC
    NCC4)cc5n[nH]c(N)c35; Nc1nnc2c1c(cc(c2)C
    N3CCNCC3)c4ccc5c(c4)ccc(c5)OCC    		 4-(6-ethoxynaphthalen-2-yl)-6-(piperazin-1-ylmethyl)-2H-indazol-3-amine
    15007
    BK9
    CHEMBL263379
    ZINC000000343321    		 2 C10 H10 N2 O InChI=1S/C10H10N2O/c1-2-1
    3-10-8-5-3-4-6-9(8)11-7-1
    2-10/h3-7H,2H2,1H3;
    KHYIWRGNPLBXDS-UHFFFAOYSA-N    		 CCOc1ncnc2ccccc12; n2c1c(cccc1)c(OCC)nc2
    ; CCOc1c2ccccc2ncn1    		 4-ethoxyquinazoline
    15008
    BKA
    ZINC000005819871    		 2 C7 H12 O3 InChI=1S/C7H12O3/c1-2-3-4
    -6(8)5-7(9)10/h2-5H2,1H3,
    (H,9,10);
    PRRBQHNMYJRHFW-UHFFFAOYSA-N    		 O=C(CCCC)CC(=O)O; CCCCC(=O)CC(O)=O; CCCC
    C(=O)CC(=O)O    		 3-oxoheptanoic acid
    15009
    BKB    		 1 C25 H29 Cl F3 N5 O5 S InChI=1S/C25H29ClF3N5O5S/
    c26-19-14-18(25(27,28)29)
    15-20(16-19)32-9-11-33(12
    -10-32)40(38,39)21-4-5-22
    -17(13-21)6-8-34(22)24(36
    )30-7-2-1-3-23(35)31-37/h
    4-5,13-16,37H,1-3,6-12H2,
    (H,30,36)(H,31,35);
    KWCPEZUHMIKCPD-UHFFFAOYSA-N    		 O=S(=O)(c1cc2CCN(C(=O)NCCCCC(=O)NO)c2cc1
    )N1CCN(CC1)c1cc(cc(Cl)c1)C(F)(F)F; c1cc2
    c(cc1S(=O)(=O)N3CCN(CC3)c4cc(cc(c4)Cl)C(
    F)(F)F)CCN2C(=O)NCCCCC(=O)NO; ONC(=O)CCC
    CNC(=O)N1CCc2cc(ccc12)[S](=O)(=O)N3CCN(C
    C3)c4cc(Cl)cc(c4)C(F)(F)F    		 5-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}-N-[5-(hydroxyamino)-5-oxopentyl]-2,3-dihydro-1H-indole-1-carboxamide
    15010
    BKC
    ZINC000004994997    		 1 C28 H38 O7 InChI=1S/C28H38O7/c1-21(1
    5-18-24(19-26(29)30)20-27
    (31)32)13-11-9-7-5-6-8-10
    -12-14-25(35-4)22(2)16-17
    -23(3)28(33)34/h6,8-12,15
    -19,21,25H,5,7,13-14,20H2
    ,1-4H3,(H,29,30)(H,31,32)
    (H,33,34)/b8-6+,11-9+,12-
    10-,18-15+,22-16-,23-17+,
    24-19+/t21-,25+/m0/s1;
    SHCXABJSXUACKU-WUTQZGRKSA-N    		 CO[CH](CC=CC=CCCC=CC[CH](C)C=CC(CC(O)=O)
    =CC(O)=O)C(C)=CC=C(C)C(O)=O; CO[C@H](C/C
    =C\C=C\CC/C=C/C[C@H](C)/C=C/C(CC(O)=O)=C
    \C(O)=O)\C(C)=C/C=C(\C)C(O)=O; CC(CC=CCC
    C=CC=CCC(C(=CC=C(C)C(=O)O)C)OC)C=CC(=CC(
    =O)O)CC(=O)O; C[C@@H](C/C=C/CC/C=C/C=C\C
    [C@H](/C(=C\C=C(/C)\C(=O)O)/C)OC)/C=C/C(
    =C\C(=O)O)/CC(=O)O    		 Bongkrekic acid;
    Bongkrek acid
    15011
    BKD
    CHEMBL4207043    		 1 C20 H22 N4 O InChI=1S/C20H22N4O/c1-13(
    25)23-10-8-19-17(12-23)20
    (22-24(19)11-14-5-6-14)16
    -3-2-4-18-15(16)7-9-21-18
    /h2-4,7,9,14,21H,5-6,8,10
    -12H2,1H3;
    MPXKOIKIRQBXKT-UHFFFAOYSA-N    		 CC(=O)N1CCc2n(CC3CC3)nc(c2C1)c4cccc5[nH]
    ccc45; CC(=O)N1CCc2c(c(nn2CC3CC3)c4cccc5
    c4cc[nH]5)C1; C5C(Cn4c1CCN(C(C)=O)Cc1c(c
    2c3c(ccc2)ncc3)n4)C5    		 1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
    15012
    BKE
    CHEMBL1469891
    ZINC000008684005    		 1 C19 H15 N3 O2 InChI=1S/C19H15N3O2/c1-24
    -15-9-7-14(8-10-15)22-11-
    16(13-5-3-2-4-6-13)17-18(
    22)20-12-21-19(17)23/h2-1
    2H,1H3,(H,20,21,23);
    VAOBJTRTUSWVKW-UHFFFAOYSA-N    		 O=C1c2c(cn(c2N=CN1)c3ccc(OC)cc3)c4ccccc4
    ; COc1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccccc4
    ; COc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=Nc
    24    		 7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
    15013
    BKF    		 3 C32 H43 Cl N2 O9 InChI=1S/C32H43ClN2O9/c1-
    17(2)29(37)43-25-15-26(36
    )35(6)21-13-20(14-22(40-7
    )27(21)33)12-18(3)10-9-11
    -24(41-8)32(39)16-23(42-3
    0(38)34-32)19(4)28-31(25,
    5)44-28/h9-11,13-14,17,19
    ,23-25,28,39H,12,15-16H2,
    1-8H3,(H,34,38)/b11-9-,18
    -10-/t19-,23-,24+,25-,28-
    ,31-,32-/m0/s1;
    OPQNCARIZFLNLF-GFSDGHFRSA-N    		 CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(
    =O)CC(C4(C1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=
    O)O2)O; CO[C@@H]1\C=C/C=C(/C)Cc2cc(OC)c(
    Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)C(C)C)[C@]
    3(C)O[C@H]3[C@@H](C)[C@@H]4C[C@@]1(O)NC(
    =O)O4; C[C@H]1[C@@H]2C[C@]([C@@H](C=CC=C
    (Cc3cc(c(c(c3)OC)Cl)N(C(=O)C[C@@H]([C@]4
    ([C@H]1O4)C)OC(=O)C(C)C)C)C)OC)(NC(=O)O2
    )O; CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N
    (C)C(=O)C[CH](OC(=O)C(C)C)[C]3(C)O[CH]3[
    CH](C)[CH]4C[C]1(O)NC(=O)O4; C3C(C4(C)C(
    C(C)C1OC(=O)NC(C1)(C(C=CC=C(C)Cc2cc(c(c(
    c2)N(C3=O)C)Cl)OC)OC)O)O4)OC(=O)C(C)C    		 (1S,2S,3S,5S,6S,16Z,18Z,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl 2-methylpropanoate
    15014
    BKH
    CHEMBL5181579    		 1 C20 H16 Cl2 F3 N3 O4 S InChI=1S/C20H16Cl2F3N3O4S
    /c21-10-2-1-9(5-11(10)22)
    33-20-19(31)17(18(30)15(7
    -29)32-20)28-6-14(26-27-2
    8)8-3-12(23)16(25)13(24)4
    -8/h1-6,15,17-20,29-31H,7
    H2/t15-,17+,18+,19-,20-/m
    1/s1;
    CSGJIUAIYDKFPC-DABHTEOTSA-N    		 c1cc(c(cc1SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4
    cc(c(c(c4)F)F)F)O)Cl)Cl; c1cc(c(cc1S[C@@
    H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc
    (nn3)c4cc(c(c(c4)F)F)F)O)Cl)Cl; OC[CH]1O
    [CH](Sc2ccc(Cl)c(Cl)c2)[CH](O)[CH]([CH]1
    O)n3cc(nn3)c4cc(F)c(F)c(F)c4; OC[C@H]1O[
    C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@H]([C@
    H]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    15015
    BKI
    ZINC000263620319    		 1 C18 H12 Br N3 O InChI=1S/C18H12BrN3O/c19-
    13-8-6-12(7-9-13)15-10-22
    (14-4-2-1-3-5-14)17-16(15
    )18(23)21-11-20-17/h1-11H
    ,(H,20,21,23);
    CPYVKWBLVMVKFH-UHFFFAOYSA-N    		 Brc4ccc(c1cn(c2N=CNC(=O)c12)c3ccccc3)cc4
    ; c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)
    Br; Brc1ccc(cc1)c2cn(c3ccccc3)c4N=CNC(=O
    )c24    		 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
    15016
    BKJ
    CHEMBL4203082    		 1 C26 H28 N6 O2 InChI=1S/C26H28N6O2/c1-17
    (33)31-9-6-25-23(16-31)26
    (29-32(25)20-7-10-34-11-8
    -20)21-5-3-4-18-12-24(27-
    14-22(18)21)19-13-28-30(2
    )15-19/h3-5,12-15,20H,6-1
    1,16H2,1-2H3;
    RPDQYBNAJDAGIK-UHFFFAOYSA-N    		 C6CC(n5c1CCN(C(C)=O)Cc1c(c2cccc3c2cnc(c3
    )c4cnn(c4)C)n5)CCO6; Cn1cc(cn1)c2cc3cccc
    (c3cn2)c4nn(C5CCOCC5)c6CCN(Cc46)C(C)=O;
    CC(=O)N1CCc2c(c(nn2C3CCOCC3)c4cccc5c4cnc
    (c5)c6cnn(c6)C)C1    		 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
    15017
    BKK    		 1 C20 H17 Cl F3 N3 O4 S InChI=1S/C20H17ClF3N3O4S/
    c21-10-2-1-3-11(6-10)32-2
    0-19(30)17(18(29)15(8-28)
    31-20)27-7-14(25-26-27)9-
    4-12(22)16(24)13(23)5-9/h
    1-7,15,17-20,28-30H,8H2/t
    15-,17+,18+,19-,20+/m1/s1;
    MJHCQQXAUYYTBY-ZKIDJSGLSA-N    		 c1cc(cc(c1)Cl)S[C@H]2[C@@H]([C@H]([C@H](
    [C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F
    )O; OC[C@H]1O[C@@H](Sc2cccc(Cl)c2)[C@H](
    O)[C@H]([C@H]1O)n3cc(nn3)c4cc(F)c(F)c(F)
    c4; c1cc(cc(c1)Cl)SC2C(C(C(C(O2)CO)O)n3c
    c(nn3)c4cc(c(c(c4)F)F)F)O; OC[CH]1O[CH](
    Sc2cccc(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn
    3)c4cc(F)c(F)c(F)c4    		 (2~{S},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    15018
    BKL    		 1 C28 H37 Cl N2 O8 InChI=1S/C28H37ClN2O8/c1-
    15-8-7-9-22(37-6)28(35)14
    -20(38-26(34)30-28)16(2)2
    5-27(3,39-25)21(32)13-23(
    33)31(4)18-11-17(10-15)12
    -19(36-5)24(18)29/h7-9,11
    -12,16,20-22,25,32,35H,10
    ,13-14H2,1-6H3,(H,30,34)/
    b9-7+,15-8+/t16-,20+,21-,
    22+,25-,27-,28-/m0/s1;
    QWPXBEHQFHACTK-PVEDLESJSA-N    		 CO[C@@H]1/C=C/C=C(\C)Cc2cc(OC)c(Cl)c(c2)
    N(C)C(=O)C[C@H](O)[C@]3(C)O[C@H]3[C@@H](
    C)[C@H]4C[C@@]1(O)NC(=O)O4; CC1C2CC(C(C=
    CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)CC(C4(C1O
    4)C)O)C)C)OC)(NC(=O)O2)O; C[C@H]1[C@H]2C
    [C@]([C@@H](/C=C/C=C(/Cc3cc(c(c(c3)OC)Cl
    )N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)O)C)\C)
    OC)(NC(=O)O2)O; CO[CH]1C=CC=C(C)Cc2cc(OC
    )c(Cl)c(c2)N(C)C(=O)C[CH](O)[C]3(C)O[CH]
    3[CH](C)[CH]4C[C]1(O)NC(=O)O4; C2C(N(c1c
    (Cl)c(OC)cc(c1)CC(=CC=CC(C4(NC(OC(C(C3C(
    C)(C2O)O3)C)C4)=O)O)OC)C)C)=O    		 (1R,2S,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaene-8,23-dione
    15019
    BKM
    CHEMBL5184184    		 2 C33 H52 O11 InChI=1S/C33H52O11/c1-9-2
    4(10-2)15-25(34)14-19(4)1
    3-18(3)11-12-26(35)21(6)2
    8(37)16-27(36)20(5)23(8)4
    4-30(39)17-29(38)31(33(42
    )43)22(7)32(40)41/h9,15,1
    8-21,23,26-27,29,35-36,38
    H,1,10-14,16-17H2,2-8H3,(
    H,40,41)(H,42,43)/b24-15-
    ,31-22-/t18-,19+,20+,21-,
    23+,26-,27+,29+/m0/s1;
    AQLTUWTUANKXRS-OXKGMMJMSA-N    		 C=[C@H]C(=[C@H]C(CC(CC(C)CCC(C(C)C(CC(O)
    C(C)C(C)OC(=O)CC(/C(C(O)=O)=C(/C(=O)O)C)
    O)=O)O)C)=O)CC; CCC(C=C)=CC(=O)C[CH](C)C
    [CH](C)CC[CH](O)[CH](C)C(=O)C[CH](O)[CH]
    (C)[CH](C)OC(=O)C[CH](O)C(C(O)=O)=C(C)C(
    O)=O; CCC(\C=C)=C/C(=O)C[C@H](C)C[C@@H](
    C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H]
    (C)[C@@H](C)OC(=O)C[C@@H](O)\C(C(O)=O)=C
    (/C)C(O)=O; CC/C(=C\C(=O)C[C@H](C)C[C@@H
    ](C)CC[C@@H]([C@H](C)C(=O)C[C@H]([C@H](C
    )[C@@H](C)OC(=O)C[C@H](/C(=C(\C)/C(=O)O)
    /C(=O)O)O)O)O)/C=C; CCC(=CC(=O)CC(C)CC(C
    )CCC(C(C)C(=O)CC(C(C)C(C)OC(=O)CC(C(=C(C
    )C(=O)O)C(=O)O)O)O)O)C=C    		 (2Z)-2-[(1R)-3-{[(2R,3S,4R,7S,8S,11S,13R,16E)-17-ethyl-4,8-dihydroxy-3,7,11,13-tetramethyl-6,15-dioxononadeca-16,18-dien-2-yl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic acid;
    Tautomycetin diacid form
    15020
    BKN
    ZINC000002534768    		 4 C8 H14 O3 InChI=1S/C8H14O3/c1-3-11-
    8(10)6-4-5-7(2)9/h3-6H2,1
    -2H3;
    MGPSIDGTLFKDEY-UHFFFAOYSA-N    		 CCOC(=O)CCCC(=O)C; CCOC(=O)CCCC(C)=O ethyl 5-oxohexanoate
    15021
    BKO    		 1 C26 H30 N2 O4 S InChI=1S/C26H30N2O4S/c29-
    22-17-23(26(31)27-14-16-3
    3-19-27)28(18-22)25(30)11
    -6-15-32-24-10-5-4-9-21(2
    4)13-12-20-7-2-1-3-8-20/h
    1-5,7-10,12-13,22-23,29H,
    6,11,14-19H2/b13-12+;
    VJHGOPMDXSBFHZ-OUKQBFOZSA-N    		 c1ccc(cc1)C=Cc2ccccc2OCCCC(=O)N3CC(CC3C(
    =O)N4CCSC4)O; O[CH]1C[CH](N(C1)C(=O)CCCO
    c2ccccc2C=Cc3ccccc3)C(=O)N4CCSC4; c1ccc(
    cc1)/C=C/c2ccccc2OCCCC(=O)N3CC(CC3C(=O)N
    4CCSC4)O; O[C@H]1C[C@H](N(C1)C(=O)CCCOc2
    ccccc2\C=C\c3ccccc3)C(=O)N4CCSC4    		 1-[4-oxidanyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-yl]-4-[2-[(~{E})-2-phenylethenyl]phenoxy]butan-1-one
    15022
    BKP
    ZINC000082050082    		 1 C10 H17 N5 O17 P4 InChI=1S/C10H17N5O17P4/c1
    1-10-13-7-4(8(18)14-10)12
    -2-15(7)9-6(17)5(16)3(29-
    9)1-28-34(22,23)31-36(26,
    27)32-35(24,25)30-33(19,2
    0)21/h2-3,5-6,9,16-17H,1H
    2,(H,22,23)(H,24,25)(H,26
    ,27)(H2,19,20,21)(H3,11,1
    3,14,18)/t3-,5-,6-,9-/m1/
    s1;
    KDFXXNGTULMGMF-UUOKFMHZSA-N    		 P(O)(=O)(OP(O)(OP(O)(O)=O)=O)OP(OCC1OC(C
    (C1O)O)n2cnc3C(=O)N=C(N)Nc23)(O)=O; NC1=
    NC(=O)c2ncn([C@@H]3O[C@H](CO[P](O)(=O)O[
    P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](
    O)[C@H]3O)c2N1; c1nc2c(n1[C@H]3[C@@H]([C
    @@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(
    O)OP(=O)(O)O)O)O)NC(=NC2=O)N; c1nc2c(n1C
    3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP
    (=O)(O)O)O)O)NC(=NC2=O)N; NC1=NC(=O)c2nc
    n([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P]
    (O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O)c2N1    		 5'-O-[(S)-hydroxy{[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]oxy}phosphoryl]guanosine
    15023
    BKQ
    CHEMBL3182933
    ZINC000003860971    		 2 C7 H12 O3 InChI=1S/C7H12O3/c1-3-10-
    7(9)5-4-6(2)8/h3-5H2,1-2H
    3;
    GMEONFUTDYJSNV-UHFFFAOYSA-N    		 CCOC(=O)CCC(=O)C; CCOC(=O)CCC(C)=O ethyl levulinate
    15024
    BKR
    CHEMBL302324
    ZINC000094303247    		 14 C45 H49 N O13 InChI=1S/C45H49NO13/c1-24
    -29(57-41(54)35(50)33(26-
    15-9-6-10-16-26)46-39(52)
    27-17-11-7-12-18-27)22-45
    (55)38(58-40(53)28-19-13-
    8-14-20-28)36-43(5,37(51)
    34(49)32(24)42(45,3)4)30(
    48)21-31-44(36,23-56-31)5
    9-25(2)47/h6-20,29-31,33-
    36,38,48-50,55H,21-23H2,1
    -5H3,(H,46,52)/t29-,30-,3
    1+,33-,34+,35+,36-,38-,43
    +,44-,45+/m0/s1;
    TYLVGQKNNUHXIP-MHHARFCSSA-N    		 CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@]3(C)
    [C@@H]2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@
    H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c
    7ccccc7)C(=C([C@@H](O)C3=O)C5(C)C)C; CC(
    =O)O[C]12CO[CH]1C[CH](O)[C]3(C)[CH]2[CH]
    (OC(=O)c4ccccc4)[C]5(O)C[CH](OC(=O)[CH](
    O)[CH](NC(=O)c6ccccc6)c7ccccc7)C(=C([CH]
    (O)C3=O)C5(C)C)C; CC1=C2[C@H](C(=O)[C@@]
    3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](
    C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccc
    cc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(C
    O4)OC(=O)C)O)C)O; O=C(NC(C(O)C(OC3C(C)=C
    4C(C(C2(C(O)CC1OCC1(OC(=O)C)C2C(C(C3)(C4
    (C)C)O)OC(c5ccccc5)=O)C)=O)O)=O)c6ccccc6
    )c7ccccc7; CC1=C2C(C(=O)C3(C(CC4C(C3C(C(
    C2(C)C)(CC1OC(=O)C(C(c5ccccc5)NC(=O)c6cc
    ccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C
    )O    		 Deacetyltaxol
    15025
    BKS
    ZINC000263621143    		 1 C18 H12 Cl N3 O InChI=1S/C18H12ClN3O/c19-
    13-8-6-12(7-9-13)15-10-22
    (14-4-2-1-3-5-14)17-16(15
    )18(23)21-11-20-17/h1-11H
    ,(H,20,21,23);
    VUHYRUNDSUZARS-UHFFFAOYSA-N    		 c1ccc(cc1)n2cc(c3c2N=CNC3=O)c4ccc(cc4)Cl
    ; Clc4ccc(c1cn(c2N=CNC(=O)c12)c3ccccc3)c
    c4; Clc1ccc(cc1)c2cn(c3ccccc3)c4N=CNC(=O
    )c24    		 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
    15026
    BKU    		 1 C38 H54 Cl N3 O10 S2 InChI=1S/C38H54ClN3O10S2/
    c1-21-13-12-14-28(49-10)3
    8(47)19-27(50-35(46)40-38
    )22(2)33-37(6,52-33)29(51
    -34(45)23(3)41(7)31(44)20
    -36(4,5)54-53-11)18-30(43
    )42(8)25-16-24(15-21)17-2
    6(48-9)32(25)39/h12-14,16
    -17,22-23,27-29,33,47H,15
    ,18-20H2,1-11H3,(H,40,46)
    /b14-12+,21-13+/t22-,23-,
    27-,28-,29-,33-,37+,38+/m
    0/s1;
    SGYGJRKOIZZIEK-TUXWXYFASA-N    		 CC1C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(
    =O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CC(C)
    (C)SSC)C)C)OC)(NC(=O)O2)O; C[C@H]1[C@@H]
    2C[C@@]([C@H](/C=C/C=C(Cc3cc(c(c(c3)OC)C
    l)N(C(=O)C[C@@H]([C@@]4([C@H]1O4)C)OC(=O
    )[C@H](C)N(C)C(=O)CC(C)(C)SSC)C)C)OC)(NC
    (=O)O2)O; CO[C@H]1\C=C\C=C(/C)Cc2cc(OC)c
    (Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N
    (C)C(=O)CC(C)(C)SSC)[C@@]3(C)O[C@H]3[C@@
    H](C)[C@@H]4C[C@]1(O)NC(=O)O4; c42cc(OC)
    c(Cl)c(N(C)C(=O)CC(C1(C)OC1C(C)C3OC(NC(C
    (OC)C=CC=C(C2)C)(C3)O)=O)OC(=O)C(C)N(C)C
    (=O)CC(C)(C)SSC)c4; CO[CH]1C=CC=C(C)Cc2c
    c(OC)c(Cl)c(c2)N(C)C(=O)C[CH](OC(=O)[CH]
    (C)N(C)C(=O)CC(C)(C)SSC)[C]3(C)O[CH]3[CH
    ](C)[CH]4C[C]1(O)NC(=O)O4    		 (1S,2S,3S,5R,6S,16E,18E,20S,21R)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-methyl-3-(methyldisulfanyl)butanoyl]amino}propanoate (non-preferred name)
    15027
    BKV
    CHEMBL1423878
    ZINC000018177361    		 1 C18 H12 Br N3 O InChI=1S/C18H12BrN3O/c19-
    13-6-8-14(9-7-13)22-10-15
    (12-4-2-1-3-5-12)16-17(22
    )20-11-21-18(16)23/h1-11H
    ,(H,20,21,23);
    PNDQJUVRRFIFTM-UHFFFAOYSA-N    		 c1ccc(cc1)c2cn(c3c2C(=O)NC=N3)c4ccc(cc4)
    Br; Brc1ccc(cc1)n2cc(c3ccccc3)c4C(=O)NC=
    Nc24; Brc1ccc(cc1)n3cc(c2C(=O)NC=Nc23)c4
    ccccc4    		 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
    15028
    BKW
    CHEMBL573936
    ZINC000045285873    		 1 C21 H18 O5 S InChI=1S/C21H18O5S/c1-26-
    18-10-6-15(7-11-18)16-8-1
    2-19(13-9-16)27(24,25)20-
    5-3-2-4-17(20)14-21(22)23
    /h2-13H,14H2,1H3,(H,22,23
    );
    FIPYOKGRSDJCAR-UHFFFAOYSA-N    		 COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc
    3CC(O)=O; COc1ccc(cc1)c2ccc(cc2)S(=O)(=O
    )c3ccccc3CC(=O)O    		 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]ethanoic acid
    15029
    BKX    		 1 C36 H50 Cl N3 O10 S2 InChI=1S/C36H50ClN3O10S2/
    c1-20-11-10-12-27(47-8)36
    (45)19-26(48-34(44)38-36)
    21(2)32-35(4,50-32)28(49-
    33(43)22(3)39(5)29(41)13-
    14-52-51-9)18-30(42)40(6)
    24-16-23(15-20)17-25(46-7
    )31(24)37/h10-12,16-17,21
    -22,26-28,32,45H,13-15,18
    -19H2,1-9H3,(H,38,44)/b12
    -10+,20-11+/t21-,22+,26+,
    27-,28-,32-,35-,36+/m1/s1;
    ZLUUPZXOPGORNG-SLSHKPKNSA-N    		 CO[CH]1C=CC=C(C)Cc2cc(OC)c(Cl)c(c2)N(C)C
    (=O)C[CH](OC(=O)[CH](C)N(C)C(=O)CCSSC)[C
    ]3(C)O[CH]3[CH](C)[CH]4C[C]1(O)NC(=O)O4;
    CO[C@@H]1\C=C\C=C(/C)Cc2cc(OC)c(Cl)c(c2
    )N(C)C(=O)C[C@@H](OC(=O)[C@H](C)N(C)C(=O
    )CCSSC)[C@@]3(C)O[C@@H]3[C@H](C)[C@@H]4C
    [C@@]1(O)NC(=O)O4; C[C@@H]1[C@@H]2C[C@](
    [C@@H](/C=C/C=C(Cc3cc(c(c(c3)OC)Cl)N(C(=
    O)C[C@H]([C@@]4([C@@H]1O4)C)OC(=O)[C@H](
    C)N(C)C(=O)CCSSC)C)C)OC)(NC(=O)O2)O; CC1
    C2CC(C(C=CC=C(Cc3cc(c(c(c3)OC)Cl)N(C(=O)
    CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCSSC)C)
    C)OC)(NC(=O)O2)O; c42cc(c(Cl)c(N(C)C(CC(
    C1(C)C(O1)C(C)C3CC(C(OC)C=CC=C(C)C2)(NC(
    =O)O3)O)OC(C(C)N(C)C(=O)CCSSC)=O)=O)c4)O
    C    		 (1S,2R,3R,5R,6R,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.1~10,14~.0~3,5~]hexacosa-10(26),11,13,16,18-pentaen-6-yl (2S)-2-{methyl[3-(methyldisulfanyl)propanoyl]amino}propanoate (non-preferred name)
    15030
    BKY
    CHEMBL1526763
    ZINC000000980559    		 1 C24 H16 O5 InChI=1S/C24H16O5/c25-22-
    18-6-2-3-7-19(18)23(26)20
    (22)13-17-5-1-4-8-21(17)2
    9-14-15-9-11-16(12-10-15)
    24(27)28/h1-13H,14H2,(H,2
    7,28);
    NRIDPHPNVUPLOD-UHFFFAOYSA-N    		 OC(=O)c1ccc(COc2ccccc2C=C3C(=O)c4ccccc4C
    3=O)cc1; c1(ccc(cc1)COc2c(cccc2)\C=C4/C(
    c3c(cccc3)C4=O)=O)C(O)=O; c1ccc(c(c1)C=C
    2C(=O)c3ccccc3C2=O)OCc4ccc(cc4)C(=O)O    		 4-({2-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]phenoxy}methyl)benzoic acid
    15031
    BKZ
    CHEMBL105912
    ZINC000000154632    		 3 C10 H12 O2 InChI=1S/C10H12O2/c1-8(11
    )2-3-9-4-6-10(12)7-5-9/h4
    -7,12H,2-3H2,1H3;
    NJGBTKGETPDVIK-UHFFFAOYSA-N    		 CC(=O)CCc1ccc(cc1)O; CC(=O)CCc1ccc(O)cc1 4-(4-hydroxyphenyl)butan-2-one
    15032
    BL0
    CHEMBL403287
    ZINC000029127817    		 1 C5 H10 N4 O2 S2 InChI=1S/C5H10N4O2S2/c1-9
    (2)5-8-7-4(12-5)3-13(6,10
    )11/h3H2,1-2H3,(H2,6,10,1
    1);
    HZGQWVQLUYIYQA-UHFFFAOYSA-N    		 CN(C)c1sc(C[S](N)(=O)=O)nn1; CN(C)c1nnc(
    s1)CS(=O)(=O)N; O=S(=O)(N)Cc1nnc(s1)N(C)
    C    		 1-[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]methanesulfonamide;
    2-N,N-Dimethylamino-1,3,4-thiadiazole-5-methanesulfonamide
    15033
    BL1
    DB07467
    ZINC000000601305    		 2 C16 H16 Cl N3 O3 S InChI=1S/C16H16ClN3O3S/c1
    -10-8-11-4-2-3-5-14(11)20
    (10)19-16(21)12-6-7-13(17
    )15(9-12)24(18,22)23/h2-7
    ,9-10H,8H2,1H3,(H,19,21)(
    H2,18,22,23)/t10-/m0/s1;
    NDDAHWYSQHTHNT-JTQLQIEISA-N    		 CC1Cc2ccccc2N1NC(=O)c3ccc(c(c3)S(=O)(=O)
    N)Cl; C[CH]1Cc2ccccc2N1NC(=O)c3ccc(Cl)c(
    c3)[S](N)(=O)=O; O=S(=O)(N)c1c(Cl)ccc(c1
    )C(=O)NN3c2ccccc2CC3C; C[C@H]1Cc2ccccc2N
    1NC(=O)c3ccc(c(c3)S(=O)(=O)N)Cl; C[C@H]1
    Cc2ccccc2N1NC(=O)c3ccc(Cl)c(c3)[S](N)(=O
    )=O    		 4-chloro-N-[(2S)-2-methyl-2,3-dihydro-1H-indol-1-yl]-3-sulfamoylbenzamide;
    Indapamide
    15034
    BL2
    CHEMBL1222009
    ZINC000082069866    		 2 C11 H21 N O4 InChI=1S/C11H21NO4/c1-7(2
    )6-8(9(13)14)12-10(15)16-
    11(3,4)5/h7-8H,6H2,1-5H3,
    (H,12,15)(H,13,14)/t8-/m0
    /s1;
    MDXGYYOJGPFFJL-QMMMGPOBSA-N    		 O=C(OC(C)(C)C)NC(C(=O)O)CC(C)C; CC(C)CC(
    C(=O)O)NC(=O)OC(C)(C)C; CC(C)C[C@H](NC(=
    O)OC(C)(C)C)C(O)=O; CC(C)C[C@@H](C(=O)O)
    NC(=O)OC(C)(C)C; CC(C)C[CH](NC(=O)OC(C)(
    C)C)C(O)=O    		 N-(tert-butoxycarbonyl)-L-leucine
    15035
    BL3
    ZINC000103534363    		 3 C33 H34 N4 O6 InChI=1S/C33H34N4O6/c1-7-
    20-18(5)32(42)36-26(20)13
    -24-16(3)22(9-11-30(38)39
    )28(34-24)15-29-23(10-12-
    31(40)41)17(4)25(35-29)14
    -27-21(8-2)19(6)33(43)37-
    27/h7-8,13-15,34H,1-2,9-1
    2H2,3-6H3,(H,36,42)(H,37,
    43)(H,38,39)(H,40,41)/b26
    -13-,27-14-,29-15-;
    JXYQCWFZZAWTEC-SRVCBVSDSA-N    		 Cc1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)
    C(=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=
    C4C=C)C; Cc1c(c([nH]c1/C=C\2/C(=C(C(=O)N
    2)C)C=C)/C=C\3/C(=C(C(=N3)/C=C\4/C(=C(C(
    =O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O; Cc1c([n
    H]c(\C=C2/N=C(\C=C3/NC(=O)C(=C3C=C)C)C(=
    C2CCC(O)=O)C)c1CCC(O)=O)\C=C4/NC(=O)C(=C
    4C=C)C; Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C)
    C=C)C=C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)C)C=
    C)C)CCC(=O)O)CCC(=O)O    		 3-[2-[(Z)-[3-(2-carboxyethyl)-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-pyrrol-2-ylidene]methy l]-5-[(Z)-(3-ethenyl-4-methyl-5-oxo-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid;
    BILIVERDIN XIII ALPHA
    15036
    BL4
    CHEMBL1231375
    DB07468
    ZINC000024970237    		 1 C18 H16 N2 O2 InChI=1S/C18H16N2O2/c1-12
    -6-5-9-14-15(12)16(21)18(
    22)10-11-20(17(18)19-14)1
    3-7-3-2-4-8-13/h2-9,22H,1
    0-11H2,1H3/t18-/m1/s1;
    NJBBBRZNBVLTRZ-GOSISDBHSA-N    		 Cc1cccc2c1C(=O)C3(CCN(C3=N2)c4ccccc4)O;
    Cc1cccc2N=C3N(CC[C]3(O)C(=O)c12)c4ccccc4
    ; Cc1cccc2c1C(=O)[C@@]3(CCN(C3=N2)c4cccc
    c4)O; O=C2c4c(cccc4N=C3N(c1ccccc1)CCC23O
    )C; Cc1cccc2N=C3N(CC[C@@]3(O)C(=O)c12)c4
    ccccc4    		 (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one;
    S-3a-hydroxy-5-methyl-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one
    15037
    BL5
    ZINC000058631334    		 2 C38 H62 N8 O4 InChI=1S/C38H62N8O4/c1-3-
    5-17-29(35(47)45-33(23-13
    -15-25-39)37(49)43-31-19-
    9-7-10-20-31)27-41-42-28-
    30(18-6-4-2)36(48)46-34(2
    4-14-16-26-40)38(50)44-32
    -21-11-8-12-22-32/h7-12,1
    9-22,29-30,33-34,41-42H,3
    -6,13-18,23-28,39-40H2,1-
    2H3,(H,43,49)(H,44,50)(H,
    45,47)(H,46,48)/t29-,30-,
    33-,34-/m0/s1;
    YFMXWONORHSZEM-ANFUHZJESA-N    		 CCCC[C@@H](CNNC[C@H](CCCC)C(=O)N[C@@H](C
    CCCN)C(=O)Nc1ccccc1)C(=O)N[C@@H](CCCCN)C
    (=O)Nc2ccccc2; O=C(Nc1ccccc1)C(NC(=O)C(C
    CCC)CNNCC(C(=O)NC(C(=O)Nc2ccccc2)CCCCN)C
    CCC)CCCCN; CCCC[CH](CNNC[CH](CCCC)C(=O)N
    [CH](CCCCN)C(=O)Nc1ccccc1)C(=O)N[CH](CCC
    CN)C(=O)Nc2ccccc2; CCCCC(CNNCC(CCCC)C(=O
    )NC(CCCCN)C(=O)Nc1ccccc1)C(=O)NC(CCCCN)C
    (=O)Nc2ccccc2    		 2-{N'-[2-(5-AMINO-1-PHENYLCARBAMOYL-PENTYLCARBAMOYL)-HEXYL]-HYDRAZINOMETHYL}-HEXANOIC ACID(5-AMINO-1-PHENYLCARBAMOYL-PENTYL)-AMIDE
    15038
    BL6
    CHEMBL1231377
    DB07469
    ZINC000024970236    		 1 C18 H16 N2 O2 InChI=1S/C18H16N2O2/c1-12
    -7-8-14-15(11-12)19-17-18
    (22,16(14)21)9-10-20(17)1
    3-5-3-2-4-6-13/h2-8,11,22
    H,9-10H2,1H3/t18-/m1/s1;
    KAJFGRLMKVNMLH-GOSISDBHSA-N    		 Cc1ccc2c(c1)N=C3[C@](C2=O)(CCN3c4ccccc4)
    O; Cc1ccc2C(=O)[C@]3(O)CCN(c4ccccc4)C3=N
    c2c1; Cc1ccc2C(=O)[C]3(O)CCN(c4ccccc4)C3
    =Nc2c1; O=C2c4c(N=C3N(c1ccccc1)CCC23O)cc
    (cc4)C; Cc1ccc2c(c1)N=C3C(C2=O)(CCN3c4cc
    ccc4)O    		 (3aS)-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one;
    S-3a-hydroxy-7-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one
    15039
    BL7
    CHEMBL1231378
    DB07470
    ZINC000024970238    		 1 C17 H14 N2 O2 InChI=1S/C17H14N2O2/c20-1
    5-13-8-4-5-9-14(13)18-16-
    17(15,21)10-11-19(16)12-6
    -2-1-3-7-12/h1-9,21H,10-1
    1H2/t17-/m1/s1;
    DOMYOVZXZIZTRD-QGZVFWFLSA-N    		 c1ccc(cc1)N2CCC3(C2=Nc4ccccc4C3=O)O; O=C
    2c4c(N=C3N(c1ccccc1)CCC23O)cccc4; O[C@@]
    12CCN(c3ccccc3)C1=Nc4ccccc4C2=O; O[C]12C
    CN(c3ccccc3)C1=Nc4ccccc4C2=O; c1ccc(cc1)
    N2CC[C@@]3(C2=Nc4ccccc4C3=O)O    		 (3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one;
    (S-3a)-3a-hydroxy-1-phenyl-1,2,3,3A-tetrahydro-4H-pyrrol[2,3-B]quinolin-4-one
    15040
    BL8
    ZINC000263621178    		 1 C33 H36 N4 O6 InChI=1S/C33H36N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h7-8,13-15,19-20,34H,1
    -2,9-12H2,3-6H3,(H,36,43)
    (H,37,42)(H,38,39)(H,40,4
    1)/b26-13-,27-14-,29-15-/
    t19-,20-/m1/s1;
    WLDQKQLRZDEERT-IFTFHFPBSA-N    		 C[C@@H]1[C@@H](C=C)/C(NC1=O)=C/C2=NC(=C/
    c3[nH]c(\C=C\4NC(=O)C(=C\4C)C=C)c(C)c3CC
    C(O)=O)\C(=C2C)CCC(O)=O; Cc1c(c([nH]c1C=
    C2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4
    C(C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O; C
    c1c(c([nH]c1/C=C\2/C(=C(C(=O)N2)C=C)C)/C
    =C\3/C(=C(C(=N3)/C=C\4/[C@@H]([C@H](C(=O
    )N4)C)C=C)C)CCC(=O)O)CCC(=O)O; C[CH]1[CH
    ](C=C)C(NC1=O)=CC2=NC(=Cc3[nH]c(C=C4NC(=
    O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O
    )=O    		 3-[2-[(Z)-[5-[(Z)-[(3R,4R)-3-ethenyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid
    15041
    BLA
    ZINC000103534374    		 294 C33 H34 N4 O6 InChI=1S/C33H34N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h7-8,13-15,34H,1-2,9-1
    2H2,3-6H3,(H,36,43)(H,37,
    42)(H,38,39)(H,40,41)/b26
    -13-,27-14-,29-15-;
    GWZYPXHJIZCRAJ-SRVCBVSDSA-N    		 Cc1c(c([nH]c1\C=C/2\C(=C(C(=O)N2)C=C)C)\
    C=C/3\C(=C(C(=N3)\C=C/4\C(=C(C(=O)N4)C)C
    =C)C)CCC(=O)O)CCC(=O)O; Cc1c(c([nH]c1C=C
    2C(=C(C(=O)N2)C=C)C)C=C3C(=C(C(=N3)C=C4C
    (=C(C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O; C
    c1c([nH]c(C=C2N=C(C=C3NC(=O)C(=C3C=C)C)C
    (=C2CCC(O)=O)C)c1CCC(O)=O)C=C4NC(=O)C(=C
    4C)C=C; Cc1c([nH]c(\C=C2/N=C(\C=C3/NC(=O
    )C(=C3C=C)C)C(=C2CCC(O)=O)C)c1CCC(O)=O)\
    C=C4/NC(=O)C(=C4C)C=C    		 BILIVERDINE IX ALPHA
    15042
    BLB    		 0 C55 H85 N20 O21 S2 InChI=1S/C55H84N20O21S2/c
    1-19-32(72-45(75-43(19)58
    )24(11-30(57)79)67-12-23(
    56)44(59)85)49(89)74-34(4
    0(25-13-63-18-68-25)94-53
    -42(38(83)36(81)28(14-76)
    93-53)95-52-39(84)41(96-5
    5(62)91)37(82)29(15-77)92
    -52)50(90)69-21(3)35(80)2
    0(2)46(86)73-33(22(4)78)4
    8(88)65-10-7-31-70-27(17-
    97-31)51-71-26(16-98-51)4
    7(87)64-8-5-6-9-66-54(60)
    61/h13,16-18,20-24,28-29,
    33-42,52-53,67,76-78,80-8
    4H,5-12,14-15,56H2,1-4H3,
    (H2,57,79)(H2,59,85)(H2,6
    2,91)(H,63,68)(H,64,87)(H
    ,65,88)(H,69,90)(H,73,86)
    (H,74,89)(H2,58,72,75)(H4
    ,60,61,66)/p+1/t20-,21+,2
    2+,23-,24-,28-,29+,33-,34
    -,35-,36+,37+,38-,39-,40-
    ,41-,42-,52+,53-/m0/s1;
    NBLHOLNNKJBEDC-XOGQCRKLSA-O    		 O=C(N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O
    )NC(C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c3n
    c(C(=O)NCCCCNC(=[NH2+])\N)cs3)C(O)C)C)C(
    OC5OC(CO)C(O)C(O)C5OC4OC(CO)C(O)C(OC(=O)
    N)C4O)c6ncnc6)C)CC(=O)N; Cc1c(nc(nc1N)[C
    @H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@
    H]([C@H](c2c[nH]cn2)O[C@H]3[C@H]([C@H]([
    C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@
    H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N
    [C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H
    ](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCC
    CCNC(=[NH2+])N)O; C[CH](O)[CH](NC(=O)[CH
    ](C)[CH](O)[CH](C)NC(=O)[CH](NC(=O)c1nc(
    nc(N)c1C)[CH](CC(N)=O)NC[CH](N)C(N)=O)[C
    H](O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O[C
    H]3O[CH](CO)[CH](O)[CH](OC(N)=O)[CH]3O)c
    4c[nH]cn4)C(=O)NCCc5scc(n5)c6scc(n6)C(=O
    )NCCCCNC(N)=[NH2+]; Cc1c(nc(nc1N)C(CC(=O
    )N)NCC(C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)OC3
    C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(
    =O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=
    O)NCCc5nc(cs5)c6nc(cs6)C(=O)NCCCCNC(=[NH
    2+])N)O; C[C@@H](O)[C@H](NC(=O)[C@@H](C)
    [C@H](O)[C@@H](C)NC(=O)[C@@H](NC(=O)c1nc
    (nc(N)c1C)[C@H](CC(N)=O)NC[C@H](N)C(N)=O
    )[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H
    ](O)[C@@H]2O[C@H]3O[C@H](CO)[C@@H](O)[C@
    H](OC(N)=O)[C@@H]3O)c4c[nH]cn4)C(=O)NCCc
    5scc(n5)c6scc(n6)C(=O)NCCCCNC(N)=[NH2+]    		 BLEOMYCIN B2
    15043
    BLD
    ZINC000008221384    		 15 C28 H48 O6 InChI=1S/C28H48O6/c1-14(2
    )15(3)24(31)25(32)16(4)18
    -7-8-19-17-13-34-26(33)21
    -11-22(29)23(30)12-28(21,
    6)20(17)9-10-27(18,19)5/h
    14-25,29-32H,7-13H2,1-6H3
    /t15-,16-,17-,18+,19-,20-
    ,21+,22-,23+,24+,25+,27+,
    28+/m0/s1;
    IXVMHGVQKLDRKH-KNBKMWSGSA-N    		 C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C
    @H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4
    )O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
    ; CC(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H](C
    )[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H
    ](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@]12C; CC
    (C)C(C)C(C(C(C)C1CCC2C1(CCC3C2COC(=O)C4C
    3(CC(C(C4)O)O)C)C)O)O; O=C1OCC3C(C2(C1CC
    (O)C(O)C2)C)CCC4(C)C(C(C)C(O)C(O)C(C)C(C
    )C)CCC34; CC(C)[CH](C)[CH](O)[CH](O)[CH]
    (C)[CH]1CC[CH]2[CH]3COC(=O)[CH]4C[CH](O)
    [CH](O)C[C]4(C)[CH]3CC[C]12C    		 Brassinolide;
    (3aS,5S,6R,7aR,7bS,9aS,10R,12aS,12bS)-10-[(2S,3R,4R,5S)-3,4-dihydroxy-5,6-dimethylheptan-2-yl]-5,6-dihydroxy-7a,9a-dime thylhexadecahydro-3H-benzo[c]indeno[5,4-e]oxepin-3-one
    15044
    BLE    		 0 C5 H14 B N O2 InChI=1S/C5H14BNO2/c1-4(2
    )3-5(7)6(8)9/h4-5,8-9H,3,
    7H2,1-2H3/t5-/m0/s1;
    BMGMQYRPZOGZFU-YFKPBYRVSA-N    		 CC(C)C[C@H](N)B(O)O; CC(C)C[CH](N)B(O)O;
    OB(O)C(N)CC(C)C; B(C(CC(C)C)N)(O)O; B([
    C@H](CC(C)C)N)(O)O    		 LEUCINE BORONIC ACID
    15045
    BLF
    CHEMBL2024323
    ZINC000084603293    		 4 C31 H29 Cl2 N5 O2 InChI=1S/C31H29Cl2N5O2/c3
    2-23-8-6-21(7-9-23)19-38-
    20-35-28(22-4-2-1-3-5-22)
    30(38)27-25-11-10-24(33)1
    8-26(25)36-29(27)31(39)34
    -12-13-37-14-16-40-17-15-
    37/h1-11,18,20,36H,12-17,
    19H2,(H,34,39);
    IFORBTVIRBZFON-UHFFFAOYSA-N    		 Clc1ccc(cc1)Cn3cnc(c2ccccc2)c3c5c4ccc(Cl
    )cc4nc5C(=O)NCCN6CCOCC6; Clc1ccc(Cn2cnc(
    c3ccccc3)c2c4c([nH]c5cc(Cl)ccc45)C(=O)NC
    CN6CCOCC6)cc1; c1ccc(cc1)c2c(n(cn2)Cc3cc
    c(cc3)Cl)c4c5ccc(cc5[nH]c4C(=O)NCCN6CCOC
    C6)Cl    		 6-chloro-3-[1-(4-chlorobenzyl)-4-phenyl-1H-imidazol-5-yl]-N-[2-(morpholin-4-yl)ethyl]-1H-indole-2-carboxamide
    15046
    BLG
    DB02595    		 16 C16 H30 N3 O14 S2 InChI=1S/C16H29N3O14S2/c1
    -7(22)18-12-13(23)14(33-3
    5(28,29)30)11(6-21)32-16(
    12)31-10-4-8(19-9(10)5-20
    )15(24)17-2-3-34(25,26)27
    /h8-14,16,19-21,23H,2-6H2
    ,1H3,(H,17,24)(H,18,22)(H
    ,25,26,27)(H,28,29,30)/p+
    1/t8-,9+,10-,11+,12+,13+,
    14+,16+/m0/s1;
    RPNZWZDLNYCCIG-HMMVDTEZSA-O    		 CC(=O)NC1C(C(C(OC1OC2CC([NH2+]C2CO)C(=O)
    NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O; CC(=O)N[
    CH]1[CH](O)[CH](O[S](O)(=O)=O)[CH](CO)O[
    CH]1O[CH]2C[CH]([NH2+][CH]2CO)C(=O)NCC[S
    ](O)(=O)=O; CC(=O)N[C@@H]1[C@@H](O)[C@H]
    (O[S](O)(=O)=O)[C@@H](CO)O[C@H]1O[C@H]2C
    [C@H]([NH2+][C@@H]2CO)C(=O)NCC[S](O)(=O)
    =O; CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C
    @H]1O[C@H]2C[C@H]([NH2+][C@@H]2CO)C(=O)N
    CCS(=O)(=O)O)CO)OS(=O)(=O)O)O; O=S(=O)(O
    )CCNC(=O)C2CC(OC1OC(C(OS(=O)(=O)O)C(O)C1
    NC(=O)C)CO)C(CO)[NH2+]2    		 4-O-(4-O-SULFONYL-N-ACETYLGLUCOSAMININYL)-5-METHYLHYDROXY-L-PROLINE-TAURINE;
    BULGECIN A
    15047
    BLI
    CHEMBL18136
    DB02723
    ZINC000015627006    		 1 C22 H32 N6 O5 S InChI=1S/C22H32N6O5S/c23-
    22(25-31)26-10-8-16(9-11-
    26)12-24-21(30)19-7-6-18-
    13-27(14-20(29)28(18)19)3
    4(32,33)15-17-4-2-1-3-5-1
    7/h1-5,16,18-19,31H,6-15H
    2,(H2,23,25)(H,24,30)/t18
    -,19-/m0/s1;
    DHTSUHWLPAEEQB-OALUTQOASA-N    		 c1ccc(cc1)CS(=O)(=O)[N@]2C[C@@H]3CC[C@H]
    (N3C(=O)C2)C(=O)NCC4CCN(CC4)C(=NO)N; NC(
    =NO)N1CC[CH](CC1)CNC(=O)[CH]2CC[CH]3CN(C
    C(=O)N23)[S](=O)(=O)Cc4ccccc4; NC(=N/O)/
    N1CC[C@@H](CC1)CNC(=O)[C@@H]2CC[C@H]3CN(
    CC(=O)N23)[S](=O)(=O)Cc4ccccc4; c1ccc(cc
    1)CS(=O)(=O)N2CC3CCC(N3C(=O)C2)C(=O)NCC4
    CCN(CC4)C(=NO)N; O=S(=O)(N3CC(=O)N2C(C(=
    O)NCC1CCN(C(=N\O)/N)CC1)CCC2C3)Cc4ccccc4    		 4-OXO-2-PHENYLMETHANESULFONYL-OCTAHYDRO-PYRROLO[1,2-A]PYRAZINE-6-CARBOXYLIC ACID [1-(N-HYDROXYCARBAMIMIDOYL)-PIPERIDIN-4-YLMETHYL]-AMIDE
    15048
    BLJ    		 4 C5 H12 As N O4 InChI=1S/C5H12AsNO4/c1-6(
    10,11)3-2-4(7)5(8)9/h4H,2
    -3,7H2,1H3,(H,8,9)(H,10,1
    1)/t4-/m0/s1;
    CXTQPLOKUBDLTK-BYPYZUCNSA-N    		 C[As](O)(=O)CC[C@H](N)C(O)=O; [As](CCC(C
    (=O)O)N)(=O)(O)C; C[As](O)(=O)CC[CH](N)C
    (O)=O; C[As](=O)(CCC(C(=O)O)N)O; C[As](=
    O)(CC[C@@H](C(=O)O)N)O    		 (2S)-2-amino-4-[hydroxy(methyl)arsoryl]butanoic acid
    15049
    BLK
    ZINC000098208702    		 2 C21 H34 N7 O10 P InChI=1S/C21H34N7O10P/c1-
    21(2,3)37-20(32)24-7-5-4-
    6-11(22)19(31)38-39(33,34
    )35-8-12-14(29)15(30)18(3
    6-12)28-10-27-13-16(23)25
    -9-26-17(13)28/h9-12,14-1
    5,18,29-30H,4-8,22H2,1-3H
    3,(H,24,32)(H,33,34)(H2,2
    3,25,26)/t11-,12+,14+,15+
    ,18+/m0/s1;
    XYDQQGDGPLGSGU-URQYDQELSA-N    		 CC(C)(C)OC(=O)NCCCC[C@@H](C(=O)OP(=O)(O)
    OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2n
    cnc3N)O)O)N; CC(C)(C)OC(=O)NCCCCC(C(=O)O
    P(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)
    N; CC(C)(C)OC(=O)NCCCC[CH](N)C(=O)O[P](O
    )(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(
    N)ncnc23; CC(C)(C)OC(=O)NCCCC[C@H](N)C(=
    O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@
    H]1O)n2cnc3c(N)ncnc23; O=C(OC(C)(C)C)NCC
    CCC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc1
    2)N)C(O)C3O    		 [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2S)-2-azanyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
    15050
    BLL
    DB02704
    ZINC000003964411    		 2 C40 H44 N2 O6 InChI=1S/C40H44N2O6/c43-3
    3-23-27-15-7-9-17-29(27)3
    5(33)41-39(47)31(21-19-25
    -11-3-1-4-12-25)37(45)38(
    46)32(22-20-26-13-5-2-6-1
    4-26)40(48)42-36-30-18-10
    -8-16-28(30)24-34(36)44/h
    1-18,31-38,43-46H,19-24H2
    ,(H,41,47)(H,42,48)/t31-,
    32-,33-,34-,35+,36+,37-,3
    8-/m1/s1;
    GQKBYZPVKVXMJL-LAFNQVRVSA-N    		 c1ccc(cc1)CC[C@H]([C@H]([C@@H]([C@@H](CC
    c2ccccc2)C(=O)N[C@H]3c4ccccc4C[C@H]3O)O)
    O)C(=O)N[C@H]5c6ccccc6C[C@H]5O; O[CH]1Cc
    2ccccc2[CH]1NC(=O)[CH](CCc3ccccc3)[CH](O
    )[CH](O)[CH](CCc4ccccc4)C(=O)N[CH]5[CH](
    O)Cc6ccccc56; O=C(NC2c1ccccc1CC2O)C(CCc3
    ccccc3)C(O)C(O)C(C(=O)NC5c4ccccc4CC5O)CC
    c6ccccc6; c1ccc(cc1)CCC(C(C(C(CCc2ccccc2
    )C(=O)NC3c4ccccc4CC3O)O)O)C(=O)NC5c6cccc
    c6CC5O; O[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C
    @H](CCc3ccccc3)[C@@H](O)[C@H](O)[C@@H](C
    Cc4ccccc4)C(=O)N[C@@H]5[C@H](O)Cc6ccccc5
    6    		 (2R,3R,4R,5R)-3,4-DIHYDROXY-N,N'-BIS[(1S,2R)-2-HYDROXY-2,3-DIHYDRO-1H-INDEN-1-YL]-2,5-BIS(2-PHENYLETHYL)HEXANEDIAMIDE
    15051
    BLM    		 39 C55 H85 N17 O21 S3 InChI=1S/C55H85N17O21S3/c
    1-20-33(69-46(72-44(20)58
    )25(12-31(57)76)64-13-24(
    56)45(59)82)50(86)71-35(4
    1(26-14-61-19-65-26)91-54
    -43(39(80)37(78)29(15-73)
    90-54)92-53-40(81)42(93-5
    5(60)88)38(79)30(16-74)89
    -53)51(87)66-22(3)36(77)2
    1(2)47(83)70-34(23(4)75)4
    9(85)63-10-8-32-67-28(18-
    94-32)52-68-27(17-95-52)4
    8(84)62-9-7-11-96(5)6/h14
    ,17-19,21-25,29-30,34-43,
    53-54,64,73-75,77-81,96H,
    7-13,15-16,56H2,1-6H3,(H2
    ,57,76)(H2,59,82)(H2,60,8
    8)(H,61,65)(H,62,84)(H,63
    ,85)(H,66,87)(H,70,83)(H,
    71,86)(H2,58,69,72)/t21-,
    22+,23+,24-,25-,29-,30+,3
    4-,35-,36-,37+,38+,39-,40
    -,41-,42-,43-,53+,54-/m0/
    s1;
    ZGCQRJQBETWECF-UAPAGMARSA-N    		 C[CH](O)[CH](NC(=O)[CH](C)[CH](O)[CH](C)
    NC(=O)[CH](NC(=O)c1nc(nc(N)c1C)[CH](CC(N
    )=O)NC[CH](N)C(N)=O)[CH](O[CH]2O[CH](CO)
    [CH](O)[CH](O)[CH]2O[CH]3O[CH](CO)[CH](O
    )[CH](OC(N)=O)[CH]3O)c4c[nH]cn4)C(=O)NCC
    c5scc(n5)c6scc(n6)C(=O)NCCC[SH](C)C; O=C
    (N)C(N)CNC(c1nc(N)c(c(n1)C(=O)NC(C(=O)NC
    (C)C(O)C(C(=O)NC(C(=O)NCCc2nc(cs2)c3nc(C
    (=O)NCCCS(C)C)cs3)C(O)C)C)C(OC5OC(CO)C(O
    )C(O)C5OC4OC(CO)C(O)C(OC(=O)N)C4O)c6ncnc
    6)C)CC(=O)N; Cc1c(nc(nc1N)C(CC(=O)N)NCC(
    C(=O)N)N)C(=O)NC(C(c2c[nH]cn2)OC3C(C(C(C
    (O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)
    C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCc5
    nc(cs5)c6nc(cs6)C(=O)NCCCS(C)C)O; Cc1c(n
    c(nc1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C
    (=O)N[C@@H]([C@H](c2c[nH]cn2)O[C@H]3[C@H
    ]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4
    [C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N
    )O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@
    @H]([C@@H](C)O)C(=O)NCCc5nc(cs5)c6nc(cs6
    )C(=O)NCCCS(C)C)O; C[C@@H](O)[C@H](NC(=O
    )[C@@H](C)[C@H](O)[C@@H](C)NC(=O)[C@@H](
    NC(=O)c1nc(nc(N)c1C)[C@H](CC(N)=O)NC[C@H
    ](N)C(N)=O)[C@@H](O[C@@H]2O[C@@H](CO)[C@
    @H](O)[C@H](O)[C@@H]2O[C@H]3O[C@H](CO)[C
    @@H](O)[C@H](OC(N)=O)[C@@H]3O)c4c[nH]cn4
    )C(=O)NCCc5scc(n5)c6scc(n6)C(=O)NCCC[SH]
    (C)C    		 BLEOMYCIN A2;
    N1-[3-(DIMETHYLSULFONIO)-PROPYL]BLEOMYCINAMIDE
    15052
    BLN
    CHEMBL153813
    DB03767
    ZINC000006616189    		 1 C21 H30 N4 O4 InChI=1S/C21H30N4O4/c1-16
    (2)12-19(24-21(27)25-8-10
    -28-11-9-25)20(26)23-18(1
    3-22)15-29-14-17-6-4-3-5-
    7-17/h3-7,16,18-19H,8-12,
    14-15H2,1-2H3,(H,23,26)(H
    ,24,27)/t18-,19+/m1/s1;
    LXEDKIMJQBOMSU-MOPGFXCFSA-N    		 CC(C)C[C@H](NC(=O)N1CCOCC1)C(=O)N[C@@H](
    COCc2ccccc2)C#N; O=C(NC(C(=O)NC(C#N)COCc
    1ccccc1)CC(C)C)N2CCOCC2; CC(C)C[CH](NC(=
    O)N1CCOCC1)C(=O)N[CH](COCc2ccccc2)C#N; C
    C(C)C[C@@H](C(=O)N[C@@H](COCc1ccccc1)C#N
    )NC(=O)N2CCOCC2; CC(C)CC(C(=O)NC(COCc1cc
    ccc1)C#N)NC(=O)N2CCOCC2    		 MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE
    15053
    BLO
    ZINC000004096233    		 5 C17 H25 N7 O6 InChI=1S/C17H25N7O6/c1-23
    (16(19)20)6-4-9(18)8-12(2
    6)21-10-2-3-13(30-14(10)1
    5(27)28)24-7-5-11(25)22-1
    7(24)29/h2-3,5,7,9-10,13-
    14H,4,6,8,18H2,1H3,(H3,19
    ,20)(H,21,26)(H,27,28)(H,
    22,25,29)/t9-,10-,13+,14-
    /m0/s1;
    REIIQZAQCCFGIJ-ZNIXKSQXSA-N    		 [H]/N=C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=
    C[C@@H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)O)N
    ; CN(CC[CH](N)CC(=O)N[CH]1C=C[CH](O[CH]1
    C(O)=O)N2C=CC(=NC2=O)O)C(N)=N; [H]N=C(N)
    N(C)CCC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=
    NC2=O)O)N; O=C1N=C(O)C=CN1C2OC(C(=O)O)C(
    C=C2)NC(=O)CC(N)CCN(C(=[N@H])N)C; CN(CC[
    C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(
    O)=O)N2C=CC(=NC2=O)O)C(N)=N    		 1-(4-{[(3R)-3-AMINO-5-{[(Z)-AMINO(IMINO)METHYL](METHYL)AMINO}PENTANOYL]AMINO}-2,3,4-TRIDEOXY-D-ERYTHRO-HEX-2-ENOPYRANURONOSYL)-4-HYDROXYPYRIMIDIN-2(1H)-ONE;
    DEAMINOHYDROXY BLASTICIDIN-S
    15054
    BLP
    ZINC000016052081    		 2 C17 H20 N5 O9 P InChI=1S/C17H20N5O9P/c1-1
    0-16(24)13(11(6-18-10)9-3
    1-32(28,29)30)7-20-21-15(
    23)8-19-17(25)12-4-2-3-5-
    14(12)22(26)27/h2-6,20,24
    H,7-9H2,1H3,(H,19,25)(H,2
    1,23)(H2,28,29,30);
    AJHNLRARXNOGMZ-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccccc1C(=O)NCC(=O)NNCc2c(c
    nc(c2O)C)COP(=O)(O)O; Cc1c(c(c(cn1)COP(=
    O)(O)O)CNNC(=O)CNC(=O)c2ccccc2[N+](=O)[O
    -])O; Cc1ncc(CO[P](O)(O)=O)c(CNNC(=O)CNC
    (=O)c2ccccc2[N+]([O-])=O)c1O    		 (5-HYDROXY-6-METHYL-4-((2-(2-(2-NITROBENZAMIDO)ACETYL)HYDRAZINYL)METHYL)PYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE
    15055
    BLQ
    ZINC000100056740    		 4 C17 H15 N3 O6 InChI=1S/C17H15N3O6/c21-1
    4-6-5-12(9-13(14)17(25)26
    )20-19-11-3-1-10(2-4-11)1
    6(24)18-8-7-15(22)23/h1-6
    ,9,19H,7-8H2,(H,18,24)(H,
    22,23)(H,25,26)/b20-12+;
    KONZVQJABTUMFX-UDWIEESQSA-N    		 c1cc(ccc1C(=O)NCCC(=O)O)NN=C2C=CC(=O)C(=
    C2)C(=O)O; OC(=O)CCNC(=O)c1ccc(N\N=C2/C=
    CC(=O)C(=C2)C(O)=O)cc1; O=C2C=C\C(=N/Nc1
    ccc(C(=O)NCCC(=O)O)cc1)C=C2C(=O)O; c1cc(
    ccc1C(=O)NCCC(=O)O)N/N=C/2\C=CC(=O)C(=C2
    )C(=O)O; OC(=O)CCNC(=O)c1ccc(NN=C2C=CC(=
    O)C(=C2)C(O)=O)cc1    		 (3E)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid;
    balsalazide
    15056
    BLR
    CHEMBL501680
    ZINC000018007499    		 31 C33 H36 N4 O6 InChI=1S/C33H36N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h7-8,13-14,34-35H,1-2,
    9-12,15H2,3-6H3,(H,36,43)
    (H,37,42)(H,38,39)(H,40,4
    1)/b26-13-,27-14-;
    BPYKTIZUTYGOLE-IFADSCNNSA-N    		 Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C=C)C)Cc3c
    (c(c([nH]3)C=C4C(=C(C(=O)N4)C)C=C)C)CCC(
    =O)O)CCC(=O)O; Cc1c(c([nH]c1/C=C\2/C(=C(
    C(=O)N2)C=C)C)Cc3c(c(c([nH]3)/C=C\4/C(=C
    (C(=O)N4)C)C=C)C)CCC(=O)O)CCC(=O)O; CC1=
    C(C=C)C(NC1=O)=Cc2[nH]c(Cc3[nH]c(C=C4NC(
    =O)C(=C4C)C=C)c(C)c3CCC(O)=O)c(CCC(O)=O)
    c2C; CC1=C(C=C)C(/NC1=O)=C/c2[nH]c(Cc3[n
    H]c(\C=C4/NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=
    O)c(CCC(O)=O)c2C    		 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid;
    Bilirubin IX alpha
    15057
    BLS
    CHEMBL476894
    ZINC000003594207    		 8 C17 H26 N8 O5 InChI=1S/C17H26N8O5/c1-24
    (16(20)21)6-4-9(18)8-12(2
    6)22-10-2-3-13(30-14(10)1
    5(27)28)25-7-5-11(19)23-1
    7(25)29/h2-3,5,7,9-10,13-
    14H,4,6,8,18H2,1H3,(H3,20
    ,21)(H,22,26)(H,27,28)(H2
    ,19,23,29)/t9-,10-,13+,14
    -/m0/s1;
    CXNPLSGKWMLZPZ-ZNIXKSQXSA-N    		 CN(CC[C@H](N)CC(=O)N[C@H]1C=C[C@@H](O[C@
    @H]1C(O)=O)N2C=CC(=NC2=O)N)C(N)=N; [H]/N
    =C(\N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@
    H](O[C@@H]1C(=O)O)N2C=CC(=NC2=O)N)N; CN(
    CC[CH](N)CC(=O)N[CH]1C=C[CH](O[CH]1C(O)=
    O)N2C=CC(=NC2=O)N)C(N)=N; [H]N=C(N)N(C)C
    CC(CC(=O)NC1C=CC(OC1C(=O)O)N2C=CC(=NC2=O
    )N)N; O=C1N=C(N)C=CN1C2OC(C(=O)O)C(C=C2)
    NC(=O)CC(N)CCN(C(=[N@H])N)C    		 BLASTICIDIN S
    15058
    BLT    		 1 C9 H18 O9 S Se InChI=1S/C9H20O9SSe/c10-1
    -7(18-19(15,16)17)5(12)3-
    20-4-6(13)9(14)8(20)2-11/
    h5-14H,1-4H2,(H2-,15,16,1
    7)/p-2/t5-,6+,7+,8+,9-,20
    +/m0/s1;
    WLNWUNIGATZIKW-KNCZUUIASA-L    		 C1[C@H]([C@@H]([C@H]([Se@@+]1C[C@@H]([C@
    @H](CO)OS([O-])([O-])[O-])O)CO)O)O; OC[C
    @@H](O[S]([O-])([O-])[O-])[C@@H](O)C[Se@
    +]1C[C@@H](O)[C@H](O)[C@H]1CO; [O-]S([O-
    ])([O-])OC(CO)C(O)C[Se+]1C(CO)C(O)C(O)C1
    ; C1C(C(C([Se+]1CC(C(CO)OS([O-])([O-])[O
    -])O)CO)O)O; OC[CH](O[S]([O-])([O-])[O-]
    )[CH](O)C[Se+]1C[CH](O)[CH](O)[CH]1CO    		 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT;
    DIASTEREOMER OF SELENO-SALACINOL
    15059
    BLV
    DB02864
    ZINC000014880505    		 5 C33 H34 N4 O6 InChI=1S/C33H34N4O6/c1-7-
    20-16(3)24(13-26-18(5)22(
    32(42)36-26)9-11-30(38)39
    )34-28(20)14-25-17(4)21(8
    -2)29(35-25)15-27-19(6)23
    (33(43)37-27)10-12-31(40)
    41/h7-8,13-15,34-35H,1-2,
    9-12H2,3-6H3,(H,36,42)(H,
    38,39)(H,40,41)/b25-14-,2
    6-13-,29-15-;
    ISQGGWQAVOHBFX-BGSBWKAWSA-N    		 CC1=C(CCC(O)=O)C(=O)NC1=Cc2[nH]c(C=C3NC(
    =CC4=NC(=O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(
    C=C)c2C; Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)C
    CC(=O)O)C)\C=C/3\C(=C(C(=CC4=NC(=O)C(=C4
    C)CCC(=O)O)N3)C=C)C)C=C; CC1=C(CCC(O)=O)
    C(=O)N\C1=C/c2[nH]c(\C=C3/N/C(=C\C4=NC(=
    O)C(=C4C)CCC(O)=O)C(=C3C)C=C)c(C=C)c2C;
    Cc1c(c([nH]c1C=C2C(=C(C(=O)N2)CCC(=O)O)C
    )C=C3C(=C(C(=CC4=NC(=O)C(=C4C)CCC(=O)O)N
    3)C=C)C)C=C    		 BILIVERDIN IX GAMMA CHROMOPHORE
    15060
    BLY    		 0 C5 H16 B N2 O2 InChI=1S/C5H15BN2O2/c7-4-
    2-1-3-5(8)6(9)10/h5,9-10H
    ,1-4,7-8H2/p+1/t5-/m0/s1;
    PZVAGZRLDYQMPS-YFKPBYRVSA-O    		 N[C@@H](CCCC[NH3+])B(O)O; B([C@H](CCCC[N
    H3+])N)(O)O; N[CH](CCCC[NH3+])B(O)O; B(C
    (CCCC[NH3+])N)(O)O; OB(O)C(N)CCCC[NH3+]    		 LYSINE BORONIC ACID
    15061
    BLZ
    CHEMBL222419
    DB07471
    ZINC000016052682    		 2 C22 H20 Cl N3 O4 S InChI=1S/C22H20ClN3O4S/c1
    -12(13-6-4-5-7-14(13)23)3
    0-19-10-20(31-21(19)22(24
    )27)26-11-25-15-8-17(28-2
    )18(29-3)9-16(15)26/h4-12
    H,1-3H3,(H2,24,27)/t12-/m
    1/s1;
    UHCHLTQBLNUYRT-GFCCVEGCSA-N    		 CC(c1ccccc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc
    (c(c4)OC)OC; Clc1ccccc1C(Oc4c(sc(n3cnc2c
    c(OC)c(OC)cc23)c4)C(=O)N)C; C[C@H](c1ccc
    cc1Cl)Oc2cc(sc2C(=O)N)n3cnc4c3cc(c(c4)OC
    )OC; COc1cc2ncn(c3sc(C(N)=O)c(O[C@H](C)c
    4ccccc4Cl)c3)c2cc1OC; COc1cc2ncn(c3sc(C(
    N)=O)c(O[CH](C)c4ccccc4Cl)c3)c2cc1OC    		 5-[5,6-BIS(METHYLOXY)-1H-BENZIMIDAZOL-1-YL]-3-{[1-(2-CHLOROPHENYL)ETHYL]OXY}-2-THIOPHENECARBOXAMIDE
    15062
    BM0
    CHEMBL1198608
    ZINC000015783059    		 14 C8 H15 N2 InChI=1S/C8H15N2/c1-3-4-5
    -10-7-6-9(2)8-10/h6-8H,3-
    5H2,1-2H3/q+1;
    IQQRAVYLUAZUGX-UHFFFAOYSA-N    		 C(C)CCn1cc[n+](c1)C; CCCCn1cc[n+](C)c1;
    CCCCn1cc[n+](c1)C    		 1-butyl-3-methyl-1H-imidazol-3-ium;
    1-butyl-3-methylimidazolium
    15063
    BM1
    CHEMBL430639
    DB07472
    ZINC000003871749    		 1 C17 H15 N O S InChI=1S/C17H15NOS/c1-12-
    5-4-6-13(11-12)17-15-8-3-
    2-7-14(15)16(19)18(17)9-1
    0-20-17/h2-8,11H,9-10H2,1
    H3/t17-/m1/s1;
    FQVDJZWFSZSGGA-QGZVFWFLSA-N    		 O=C2c1c(cccc1)C3(SCCN23)c4cccc(c4)C; Cc1
    cccc(c1)C23c4ccccc4C(=O)N2CCS3; Cc1cccc(
    c1)[C@@]23c4ccccc4C(=O)N2CCS3; Cc1cccc(c
    1)[C]23SCCN2C(=O)c4ccccc34; Cc1cccc(c1)[
    C@]23SCCN2C(=O)c4ccccc34    		 (R)-(+)9B-(3-METHYL)PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-5(9BH)-ONE;
    BM+21.1326
    15064
    BM2
    CHEMBL138783
    ZINC000003831642    		 1 C23 H32 N6 O5 S InChI=1S/C23H32N6O5S/c24-
    23(25)26-11-3-8-21(31)27-
    14-18-7-4-12-29(18)22(32)
    20(15-30)28-35(33,34)19-1
    0-9-16-5-1-2-6-17(16)13-1
    9/h1-2,5-6,9-10,13,18,20,
    28,30H,3-4,7-8,11-12,14-1
    5H2,(H,27,31)(H4,24,25,26
    )/t18-,20-/m0/s1;
    NTVCMEJZWNSEFW-ICSRJNTNSA-N    		 O=C(N1C(CNC(=O)CCCNC(=[N@H])N)CCC1)C(NS(
    =O)(=O)c3cc2ccccc2cc3)CO; NC(=N)NCCCC(=O
    )NC[C@@H]1CCCN1C(=O)[C@H](CO)N[S](=O)(=O
    )c2ccc3ccccc3c2; c1ccc2cc(ccc2c1)S(=O)(=
    O)N[C@@H](CO)C(=O)N3CCC[C@H]3CNC(=O)CCCN
    C(=N)N; NC(=N)NCCCC(=O)NC[CH]1CCCN1C(=O)
    [CH](CO)N[S](=O)(=O)c2ccc3ccccc3c2; c1cc
    c2cc(ccc2c1)S(=O)(=O)NC(CO)C(=O)N3CCCC3C
    NC(=O)CCCNC(=N)N    		 S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL] METHYL]BUTANAMIDE;
    BMS-186282
    15065
    BM3
    CHEMBL1231391
    ZINC000004096030    		 0 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5+,6-,7
    -,8+/m1/s1;
    OVRNDRQMDRJTHS-UOLFYFMNSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O; CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@
    H]1O)CO)O)O; CC(=O)N[C@@H]1[C@@H](O)O[C@
    H](CO)[C@@H](O)[C@@H]1O; O=C(NC1C(O)C(O)
    C(OC1O)CO)C; CC(=O)NC1C(C(C(OC1O)CO)O)O    		 2-acetamido-2-deoxy-alpha-D-mannopyranose;
    N-acetyl-alpha-D-mannosamine;
    2-acetamido-2-deoxy-alpha-D-mannose;
    2-acetamido-2-deoxy-D-mannose;
    2-acetamido-2-deoxy-mannose;
    2-(ACETYLAMINO)-2-DEOXY-ALPHA-D-MANNOPYRANOSE
    15066
    BM4
    ZINC000038995991    		 1 C37 H58 N2 O2 InChI=1S/C37H58N2O2/c1-3-
    36(32-18-16-20-34(40)28-3
    2)22-10-14-26-38(30-36)24
    -12-8-6-5-7-9-13-25-39-27
    -15-11-23-37(4-2,31-39)33
    -19-17-21-35(41)29-33/h16
    -21,28-29,40-41H,3-15,22-
    27,30-31H2,1-2H3/t36-,37+;
    ZZKZUUMHRSWLQQ-JXLNJXQWSA-N    		 CC[C]1(CCCCN(CCCCCCCCCN2CCCC[C](CC)(C2)c
    3cccc(O)c3)C1)c4cccc(O)c4; CC[C@]1(CCCCN
    (CCCCCCCCCN2CCCC[C@@](CC)(C2)c3cccc(O)c3
    )C1)c4cccc(O)c4; CCC1(CCCCN(C1)CCCCCCCCC
    N2CCCCC(C2)(CC)c3cccc(c3)O)c4cccc(c4)O;
    CC[C@]1(CCCC[N@](C1)CCCCCCCCC[N@]2CCCC[C
    @](C2)(CC)c3cccc(c3)O)c4cccc(c4)O; Oc1cc
    cc(c1)C2(CC)CCCCN(C2)CCCCCCCCCN4CCCCC(c3
    cccc(O)c3)(CC)C4    		 3-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-3-yl]phenol
    15067
    BM5
    DB07473
    ZINC000003871752    		 1 C18 H15 N O3 S InChI=1S/C18H15NO3S/c1-22
    -17(21)15-11-23-18(12-7-3
    -2-4-8-12)14-10-6-5-9-13(
    14)16(20)19(15)18/h2-10,1
    5H,11H2,1H3/t15-,18+/m0/s
    1;
    JYIHODAXBBPFQF-MAUKXSAKSA-N    		 COC(=O)[CH]1CS[C]2(N1C(=O)c3ccccc23)c4cc
    ccc4; COC(=O)[C@@H]1CS[C@]2(N1C(=O)c3ccc
    cc23)c4ccccc4; COC(=O)C1CSC2(N1C(=O)c3c2
    cccc3)c4ccccc4; O=C2c1c(cccc1)C3(SCC(N23
    )C(=O)OC)c4ccccc4; COC(=O)[C@@H]1CS[C@]2
    (N1C(=O)c3c2cccc3)c4ccccc4    		 (R)-(+) 5(9BH)-OXO-9B-PHENYL-2,3-DIHYDROTHIAZOLO[2,3-A]ISOINDOL-3-CARBOXYLIC ACID METHYL ESTER;
    BM +50.0934
    15068
    BM6    		 7 C24 H27 O4 InChI=1S/C24H28O4/c1-22(2
    )11-12-23(3,4)20-15-18(9-
    10-19(20)22)24(27-13-14-2
    8-24)17-7-5-16(6-8-17)21(
    25)26/h5-10,15H,11-14H2,1
    -4H3,(H,25,26)/p-1;
    ZZUKALQMHNSWTK-UHFFFAOYSA-M    		 [O-]C(=O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)C
    (C)(C)CCC4(C)C; CC1(C)CCC(C)(C)c2cc(ccc1
    2)C3(OCCO3)c4ccc(cc4)C([O-])=O; CC1(CCC(
    c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)[O-])
    (C)C)C    		 4-[2-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-[1,3]DIOXOLAN-2-YL]-BENZOIC ACID;
    BMS649
    15069
    BM7
    ZINC000004228290    		 1 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5+,6-,7
    -,8-/m1/s1;
    OVRNDRQMDRJTHS-OZRXBMAMSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O; C1(OC(C(C(C1NC(=O)C)O)O)CO)O; CC(=O)N
    [C@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
    ; CC(=O)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H]
    (O)[C@@H]1O; CC(=O)NC1C(C(C(OC1O)CO)O)O    		 2-acetamido-2-deoxy-beta-D-mannopyranose;
    N-acetyl-beta-D-mannosamine;
    2-acetamido-2-deoxy-beta-D-mannose;
    2-acetamido-2-deoxy-D-mannose;
    2-acetamido-2-deoxy-mannose;
    2-(acetylamino)-2-deoxy-beta-D-mannopyranose
    15070
    BM8
    CHEMBL11825
    ZINC000000006701    		 2 C14 H12 N2 S InChI=1S/C14H12N2S/c1-9-8
    -10(6-7-11(9)15)14-16-12-
    4-2-3-5-13(12)17-14/h2-8H
    ,15H2,1H3;
    IDBCUMFOZBUJCL-UHFFFAOYSA-N    		 Cc1cc(ccc1N)c2sc3ccccc3n2; Cc1cc(ccc1N)c
    2nc3ccccc3s2    		 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline
    15071
    BM9
    CHEMBL138877
    ZINC000003831647    		 1 C25 H34 N6 O5 S InChI=1S/C25H34N6O5S/c26-
    25(27)30-11-3-7-19(15-30)
    23(33)28-14-20-8-4-12-31(
    20)24(34)22(16-32)29-37(3
    5,36)21-10-9-17-5-1-2-6-1
    8(17)13-21/h1-2,5-6,9-10,
    13,19-20,22,29,32H,3-4,7-
    8,11-12,14-16H2,(H3,26,27
    )(H,28,33)/t19-,20-,22-/m
    0/s1;
    JWNJPEKBZMEXIU-ONTIZHBOSA-N    		 c1ccc2cc(ccc2c1)S(=O)(=O)NC(CO)C(=O)N3CC
    CC3CNC(=O)C4CCCN(C4)C(=N)N; O=C(N2C(CNC(
    =O)C1CCCN(C(=[N@H])N)C1)CCC2)C(NS(=O)(=O
    )c4cc3ccccc3cc4)CO; NC(=N)N1CCC[CH](C1)C
    (=O)NC[CH]2CCCN2C(=O)[CH](CO)N[S](=O)(=O
    )c3ccc4ccccc4c3; NC(=N)N1CCC[C@@H](C1)C(
    =O)NC[C@@H]2CCCN2C(=O)[C@H](CO)N[S](=O)(
    =O)c3ccc4ccccc4c3; [H]/N=C(\N)/N1CCC[C@@
    H](C1)C(=O)NC[C@@H]2CCCN2C(=O)[C@H](CO)N
    S(=O)(=O)c3ccc4ccccc4c3    		 [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXA MIDE;
    BMS-189090
    15072
    BMA
    ZINC000003830679    		 1255 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-RWOPYEJCSA-N    		 OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H](O)[C@@
    H]1O; C(C1C(C(C(C(O1)O)O)O)O)O; 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; O
    C1C(O)C(OC(O)C1O)CO    		 beta-D-mannopyranose;
    beta-D-mannose;
    D-mannose;
    mannose
    15073
    BMB
    CHEMBL575256
    ZINC000049695594    		 4 C37 H47 N5 O3 InChI=1S/C37H47N5O3/c1-3-
    31(38-2)35(43)41-34-29(23
    -24-39-25-26-13-7-4-8-14-
    26)19-20-30-21-22-32(42(3
    0)37(34)45)36(44)40-33(27
    -15-9-5-10-16-27)28-17-11
    -6-12-18-28/h4-18,29-34,3
    8-39H,3,19-25H2,1-2H3,(H,
    40,44)(H,41,43)/t29-,30+,
    31+,32+,34+/m1/s1;
    NVNDSZWHCFDEAR-UCDLYESDSA-N    		 CC[C@@H](C(=O)N[C@H]1[C@H](CC[C@H]2CC[C@
    H](N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNC
    c5ccccc5)NC; CC[CH](NC)C(=O)N[CH]1[CH](C
    CNCc2ccccc2)CC[CH]3CC[CH](N3C1=O)C(=O)NC
    (c4ccccc4)c5ccccc5; CCC(C(=O)NC1C(CCC2CC
    C(N2C1=O)C(=O)NC(c3ccccc3)c4ccccc4)CCNCc
    5ccccc5)NC; CC[C@H](NC)C(=O)N[C@H]1[C@@H
    ](CCNCc2ccccc2)CC[C@H]3CC[C@H](N3C1=O)C(
    =O)NC(c4ccccc4)c5ccccc5; O=C(NC(c1ccccc1
    )c2ccccc2)C4N3C(=O)C(NC(=O)C(NC)CC)C(CCC
    3CC4)CCNCc5ccccc5    		 (3S,6S,7R,9aS)-7-[2-(benzylamino)ethyl]-N-(diphenylmethyl)-6-{[(2S)-2-(methylamino)butanoyl]amino}-5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-3-carboxamide
    15074
    BMC
    ZINC000026420154    		 4 C12 H10 N2 O4 InChI=1S/C12H10N2O4/c1-14
    -9(12(15)16)5-8(13-14)7-2
    -3-10-11(4-7)18-6-17-10/h
    2-5H,6H2,1H3,(H,15,16);
    OFBLUTIPOCAQPA-UHFFFAOYSA-N    		 Cn1nc(cc1C(O)=O)c2ccc3OCOc3c2; O=C(O)c1c
    c(nn1C)c2ccc3OCOc3c2; Cn1c(cc(n1)c2ccc3c
    (c2)OCO3)C(=O)O    		 3-(1,3-benzodioxol-5-yl)-1-methyl-1H-pyrazole-5-carboxylic acid
    15075
    BMD
    CHEMBL1231396
    DB02121
    ZINC000001586734    		 8 C4 H9 N O InChI=1S/C4H9NO/c1-2-3-4(
    5)6/h2-3H2,1H3,(H2,5,6);
    DNSISZSEWVHGLH-UHFFFAOYSA-N    		 O=C(N)CCC; CCCC(=O)N; CCCC(N)=O BUTYRAMIDE
    15076
    BME
    CHEMBL254951
    DB03345
    ZINC000008216595    		 15 C2 H6 O S InChI=1S/C2H6OS/c3-1-2-4/
    h3-4H,1-2H2;
    DGVVWUTYPXICAM-UHFFFAOYSA-N    		 C(CS)O; OCCS BETA-MERCAPTOETHANOL
    15077
    BMF
    CHEMBL3133807
    ZINC000095616589    		 28 C17 H20 N6 O4 S InChI=1S/C17H20N6O4S/c1-5
    -27-17(24)18-15-9-14(21-2
    3-11(3)19-20-16(15)23)12-
    7-6-10(2)13(8-12)22-28(4,
    25)26/h6-9,22H,5H2,1-4H3,
    (H,18,24);
    UYBRROMMFMPJAN-UHFFFAOYSA-N    		 CCOC(=O)Nc1cc(nn2c(C)nnc12)c3ccc(C)c(N[S
    ](C)(=O)=O)c3; c1(ccc(C)c(c1)NS(=O)(C)=O
    )c2nn3c(c(NC(OCC)=O)c2)nnc3C; CCOC(=O)Nc
    1cc(nn2c1nnc2C)c3ccc(c(c3)NS(=O)(=O)C)C    		 Bromosporine;
    ethyl (3-methyl-6-{4-methyl-3-[(methylsulfonyl)amino]phenyl}[1,2,4]triazolo[4,3-b]pyridazin-8-yl)carbamate
    15078
    BMG    		 4 C15 H20 N4 O4 S InChI=1S/C15H20N4O4S/c1-8
    -12(11(5-20)9(2)21)17-13(
    15(22)23)14(8)24-10-3-18-
    6-16-7-19(18)4-10/h5-12,1
    7,21H,3-4H2,1-2H3/t8-,9-,
    11-,12-/m1/s1;
    FXUMZXFCLFWWAR-CNVPUSNMSA-N    		 C[CH](O)[CH](C=O)[CH]1NC(=C(S[CH]2Cn3cnc
    [n+]3C2)[CH]1C)C([O-])=O; CC1C(NC(=C1SC2
    Cn3cnc[n+]3C2)C(=O)[O-])C(C=O)C(C)O; O=C
    C(C(O)C)C3NC(C([O-])=O)=C(SC2C[n+]1cncn1
    C2)C3C; C[C@@H]1[C@@H](NC(=C1S[C@@H]2Cn3
    cnc[n+]3C2)C(=O)[O-])[C@H](C=O)[C@@H](C)
    O; C[C@@H](O)[C@@H](C=O)[C@@H]1NC(=C(S[C
    @@H]2Cn3cnc[n+]3C2)[C@@H]1C)C([O-])=O    		 (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-meth yl-4,5-dihydro-1H-pyrrole-2-carboxylate;
    (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4- methyl-4,5-dihydro-1H-pyrrole-2-carboxylate
    15079
    BMH    		 1 C15 H22 N4 O5 S InChI=1S/C15H22N4O5S/c1-7
    -11(10(8(2)20)14(21)22)17
    -12(15(23)24)13(7)25-9-3-
    18-5-16-6-19(18)4-9/h5-11
    ,15,17,20,23H,3-4H2,1-2H3
    ,(H,21,22)/t7-,8-,10-,11-
    ,15-/m1/s1;
    GJACIOMQYIQIKX-FGOODDOWSA-N    		 C[CH](O)[CH]([CH]1NC(=C(S[CH]2Cn3cnc[n+]
    3C2)[CH]1C)[CH](O)[O-])C(O)=O; CC1C(NC(=
    C1SC2Cn3cnc[n+]3C2)C(O)[O-])C(C(C)O)C(=O
    )O; O=C(O)C(C(O)C)C3NC(=C(SC2C[n+]1cncn1
    C2)C3C)C([O-])O; C[C@@H](O)[C@H]([C@@H]1
    NC(=C(S[C@H]2Cn3cnc[n+]3C2)[C@@H]1C)[C@H
    ](O)[O-])C(O)=O; C[C@@H]1[C@@H](NC(=C1S[
    C@H]2Cn3cnc[n+]3C2)C(O)[O-])[C@@H]([C@@H
    ](C)O)C(=O)O    		 5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM, 6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, INNER SALT, (4R-(4ALPHA,5BETA,6BETA(R*)))-;
    BIAPENEM (HYDLYZED)
    15080
    BMI
    CHEMBL397666
    DB07474
    ZINC000016052301    		 1 C22 H19 N7 O InChI=1S/C22H19N7O/c1-14-
    10-16(29-9-8-23-13-29)11-
    18-20(14)28-21(27-18)19-1
    7(5-7-25-22(19)30)26-12-1
    5-4-2-3-6-24-15/h2-11,13H
    ,12H2,1H3,(H,27,28)(H2,25
    ,26,30);
    GLTRPHMPCVLOJS-UHFFFAOYSA-N    		 Cc1cc(cc2nc([nH]c12)C3=C(NCc4ccccn4)C=CN
    C3=O)n5ccnc5; O=C2NC=CC(NCc1ncccc1)=C2c5
    nc3c(c(cc(c3)n4ccnc4)C)n5; Cc1cc(cc2c1[n
    H]c(n2)C3=C(C=CNC3=O)NCc4ccccn4)n5ccnc5    		 3-[5-(1H-IMIDAZOL-1-YL)-7-METHYL-1H-BENZIMIDAZOL-2-YL]-4-[(PYRIDIN-2-YLMETHYL)AMINO]PYRIDIN-2(1H)-ONE
    15081
    BMJ
    ZINC000002037243    		 2 C15 H30 O2 InChI=1S/C15H30O2/c1-3-14
    (2)12-10-8-6-4-5-7-9-11-1
    3-15(16)17/h14H,3-13H2,1-
    2H3,(H,16,17)/t14-/m1/s1;
    XKLJLHAPJBUBNL-CQSZACIVSA-N    		 CCC(C)CCCCCCCCCCC(=O)O; CC[C@@H](C)CCCCC
    CCCCCC(O)=O; CC[CH](C)CCCCCCCCCCC(O)=O;
    CC[C@@H](C)CCCCCCCCCCC(=O)O; C(CC(CC)C)C
    CCCCCCCC(O)=O    		 (12R)-12-methyltetradecanoic acid
    15082
    BMK
    CHEMBL284237
    ZINC000025757829    		 6 C16 H15 N InChI=1S/C16H15N/c1-16-13
    -8-4-2-6-11(13)10-15(17-1
    6)12-7-3-5-9-14(12)16/h2-
    9,15,17H,10H2,1H3/t15-,16
    +/m1/s1;
    LBOJYSIDWZQNJS-CVEARBPZSA-N    		 C[C@@]12c3ccccc3C[C@@H](N1)c4c2cccc4; CC
    23c1c(cccc1)CC(N2)c4ccccc34; CC12c3ccccc
    3CC(N1)c4c2cccc4; C[C]12N[CH](Cc3ccccc13
    )c4ccccc24; C[C@]12N[C@H](Cc3ccccc13)c4c
    cccc24    		 (5S,10R)-5-methyl-10,11-dihydro-5H-5,10-epiminodibenzo[a,d][7]annulene
    15083
    BML
    CHEMBL57284
    ZINC000000404316    		 47 C6 H5 Br O InChI=1S/C6H5BrO/c7-5-1-3
    -6(8)4-2-5/h1-4,8H;
    GZFGOTFRPZRKDS-UHFFFAOYSA-N    		 Brc1ccc(O)cc1; c1cc(ccc1O)Br; Oc1ccc(Br)
    cc1    		 4-BROMOPHENOL
    15084
    BMM
    CHEMBL48339    		 1 C H3 Br InChI=1S/CH3Br/c1-2/h1H3;
    GZUXJHMPEANEGY-UHFFFAOYSA-N    		 BrC; CBr BROMOMETHANE
    15085
    BMN
    ZINC000098208703    		 0 C16 H19 O7 P InChI=1S/C16H19O7P/c1-21-
    14-7-11-5-3-2-4-10(11)6-1
    2(14)15-8-13(17)16(23-15)
    9-22-24(18,19)20/h2-7,13,
    15-17H,8-9H2,1H3,(H2,18,1
    9,20)/t13-,15+,16+/m0/s1;
    CYEAIBNOGXXKTF-NUEKZKHPSA-N    		 COc1cc2ccccc2cc1[C@H]3C[C@@H]([C@H](O3)C
    OP(=O)(O)O)O; O=P(O)(OCC3OC(c2cc1ccccc1c
    c2OC)CC3O)O; COc1cc2ccccc2cc1[CH]3C[CH](
    O)[CH](CO[P](O)(O)=O)O3; COc1cc2ccccc2cc
    1[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3;
    COc1cc2ccccc2cc1C3CC(C(O3)COP(=O)(O)O)O    		 (1R)-1,4-anhydro-2-deoxy-1-(3-methoxynaphthalen-2-yl)-5-O-phosphono-D-erythro-pentitol
    15086
    BMO
    CHEMBL290527
    ZINC000005432478    		 0 C32 H31 N5 InChI=1S/C32H31N5/c1-5-15
    -27-23(11-1)31(24-12-2-6-
    16-28(24)36-27)34-21-9-19
    -33-20-10-22-35-32-25-13-
    3-7-17-29(25)37-30-18-8-4
    -14-26(30)32/h1-8,11-18,3
    3H,9-10,19-22H2,(H,34,36)
    (H,35,37);
    WGBHBVVVCBOHMA-UHFFFAOYSA-N    		 C(CNCCCNc1c2ccccc2nc3ccccc13)CNc4c5ccccc
    5nc6ccccc46; c1ccc2c(c1)c(c3ccccc3n2)NCC
    CNCCCNc4c5ccccc5nc6c4cccc6; n2c1c(cccc1)
    c(c3c2cccc3)NCCCNCCCNc4c6c(nc5c4cccc5)cc
    cc6    		 N-ACRIDIN-9-YL-N'-[3-(ACRIDIN-9-YLAMINO)PROPYL]PROPANE-1,3-DIAMINE;
    1,3-PROPANEDIAMINE;
    N-9-ACRIDINYL-N -[3-(9-ACRIDINYLAMINO)PROPYL]
    15087
    BMP
    CHEMBL383923
    DB02890
    ZINC000024479522    		 220 C9 H13 N2 O10 P InChI=1S/C9H13N2O10P/c12-
    4-1-5(13)11(9(16)10-4)8-7
    (15)6(14)3(21-8)2-20-22(1
    7,18)19/h1,3,6-8,13-15H,2
    H2,(H,10,12,16)(H2,17,18,
    19)/t3-,6-,7-,8-/m1/s1;
    UDOBICLZEKUKCV-YXZULKJRSA-N    		 C1=C(N(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C
    @H](O2)COP(=O)(O)O)O)O)O; C1=C(N(C(=O)NC
    1=O)C2C(C(C(O2)COP(=O)(O)O)O)O)O; O[CH]1
    [CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C(=O)N
    C(=O)C=C2O; O[C@H]1[C@@H](O)[C@@H](O[C@@
    H]1CO[P](O)(O)=O)N2C(=O)NC(=O)C=C2O; O=C
    1NC(=O)N(C(O)=C1)C2OC(C(O)C2O)COP(=O)(O)
    O    		 6-HYDROXYURIDINE-5'-PHOSPHATE
    15088
    BMQ
    CHEMBL1231399
    DB03668
    ZINC000001559604    		 44 C9 H13 N2 O10 P InChI=1S/C9H13N2O10P/c12-
    4-1-5(13)11(9(16)10-4)8-7
    (15)6(14)3(21-8)2-20-22(1
    7,18)19/h3,6-8,14-15H,1-2
    H2,(H,10,12,16)(H2,17,18,
    19)/t3-,6-,7-,8-/m1/s1;
    AODYJUNLDJOADV-YXZULKJRSA-N    		 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(
    O)=O)N2C(=O)CC(=O)NC2=O; O[CH]1[CH](O)[C
    H](O[CH]1CO[P](O)(O)=O)N2C(=O)CC(=O)NC2=
    O; O=P(O)(O)OCC2OC(N1C(=O)NC(=O)CC1=O)C(
    O)C2O; C1C(=O)NC(=O)N(C1=O)C2C(C(C(O2)CO
    P(=O)(O)O)O)O; C1C(=O)NC(=O)N(C1=O)[C@H]
    2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O    		 1-(5'-PHOSPHO-BETA-D-RIBOFURANOSYL)BARBITURIC ACID
    15089
    BMR    		 1 C16 H21 O13 P3 InChI=1S/C16H21O13P3/c1-2
    5-14-7-11-5-3-2-4-10(11)6
    -12(14)15-8-13(17)16(27-1
    5)9-26-31(21,22)29-32(23,
    24)28-30(18,19)20/h2-7,13
    ,15-17H,8-9H2,1H3,(H,21,2
    2)(H,23,24)(H2,18,19,20)/
    p-4/t13-,15+,16+/m0/s1;
    OYLYLYUMXXAEFZ-NUEKZKHPSA-J    		 COc1cc2ccccc2cc1[CH]3C[CH](O)[CH](CO[P](
    O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3; COc1cc
    2ccccc2cc1[C@H]3C[C@H](O)[C@@H](CO[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)O3; COc1cc2c
    cccc2cc1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O
    )OP(=O)(O)OP(=O)(O)O)O; COc1cc2ccccc2cc1
    C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)
    O    		 ((2R,3S,5R)-3-hydroxy-5-(3-methoxynaphthalen-2-yl)methyl-tetrahydrogen-triphosphate;
    dNaM-Triphosphate
    15090
    BMS    		 2 C29 H26 N2 O3 InChI=1S/C29H26N2O3/c1-29
    (2)14-13-23(21-15-19-5-3-
    4-6-26(19)30-17-21)24-16-
    20(9-12-25(24)29)27(32)31
    -22-10-7-18(8-11-22)28(33
    )34/h3-12,15-17,23H,13-14
    H2,1-2H3,(H,31,32)(H,33,3
    4);
    WBEIHCAWTAWTBK-UHFFFAOYSA-N    		 CC1(CCC(c2c1ccc(c2)C(=O)Nc3ccc(cc3)C(=O)
    O)c4cc5ccccc5nc4)C; O=C(O)c1ccc(cc1)NC(=
    O)c2ccc5c(c2)C(c3cc4ccccc4nc3)CCC5(C)C;
    CC1(C)CC[CH](c2cnc3ccccc3c2)c4cc(ccc14)C
    (=O)Nc5ccc(cc5)C(O)=O; CC1(C)CC[C@H](c2c
    nc3ccccc3c2)c4cc(ccc14)C(=O)Nc5ccc(cc5)C
    (O)=O    		 4-[(4,4-DIMETHYL-1,2,3,4-TETRAHYDRO-[1,2']BINAPTHALENYL-7-CARBONYL)-AMINO]-BENZOIC ACID
    15091
    BMT
    CHEMBL1231401    		 0 C10 H19 N O3 InChI=1S/C10H19NO3/c1-4-5
    -6-7(2)9(12)8(11-3)10(13)
    14/h4-5,7-9,11-12H,6H2,1-
    3H3,(H,13,14)/b5-4+/t7-,8
    +,9-/m1/s1;
    AHQFCPOIMVMDEZ-UNISNWAASA-N    		 C/C=C/C[C@@H](C)[C@H]([C@@H](C(=O)O)NC)O
    ; CN[CH]([CH](O)[CH](C)CC=CC)C(O)=O; O=C
    (O)C(NC)C(O)C(C/C=C/C)C; CN[C@@H]([C@H](
    O)[C@H](C)C\C=C\C)C(O)=O; CC=CCC(C)C(C(C
    (=O)O)NC)O    		 4-METHYL-4-[(E)-2-BUTENYL]-4,N-METHYL-THREONINE
    15092
    BMU
    CHEMBL87277
    DB02277
    ZINC000000165878    		 6 C15 H19 Cl N4 O InChI=1S/C15H19ClN4O/c1-1
    5(2,3)12-9-13(20(4)19-12)
    18-14(21)17-11-7-5-10(16)
    6-8-11/h5-9H,1-4H3,(H2,17
    ,18,21);
    FWIJKWMXNHRSRO-UHFFFAOYSA-N    		 O=C(Nc1cc(nn1C)C(C)(C)C)Nc2ccc(Cl)cc2; C
    C(C)(C)c1cc(n(n1)C)NC(=O)Nc2ccc(cc2)Cl;
    Cn1nc(cc1NC(=O)Nc2ccc(Cl)cc2)C(C)(C)C    		 1-(5-TERT-BUTYL-2-METHYL-2H-PYRAZOL-3-YL)-3-(4-CHLORO-PHENYL)-UREA
    15093
    BMV
    CHEMBL351706
    DB12234
    ZINC000003925649    		 1 C25 H23 N5 O2 S2 InChI=1S/C25H23N5O2S2/c26
    -13-20-8-9-24-21(11-20)15
    -30(34(31,32)25-7-4-10-33
    -25)23(12-19-5-2-1-3-6-19
    )17-29(24)16-22-14-27-18-
    28-22/h1-11,14,18,23H,12,
    15-17H2,(H,27,28)/t23-/m1
    /s1;
    OLCWFLWEHWLBTO-HSZRJFAPSA-N    		 O=[S](=O)(N1Cc2cc(ccc2N(C[C@H]1Cc3ccccc3
    )Cc4c[nH]cn4)C#N)c5sccc5; O=[S](=O)(N1Cc
    2cc(ccc2N(C[CH]1Cc3ccccc3)Cc4c[nH]cn4)C#
    N)c5sccc5; c1ccc(cc1)CC2CN(c3ccc(cc3CN2S
    (=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5; O=S(=O)
    (N3C(Cc1ccccc1)CN(c2ccc(C#N)cc2C3)Cc4ncn
    c4)c5sccc5; c1ccc(cc1)C[C@@H]2CN(c3ccc(c
    c3C[N@]2S(=O)(=O)c4cccs4)C#N)Cc5c[nH]cn5    		 3-BENZYL-1-(1H-IMIDAZOL-4-YLMETHYL)-4-(THIEN-2-YLSULFONYL)-2,3,4,5-TETRAHYDRO-1H-1,4-BENZODIAZEPINE-7-CARBONITRILE;
    BMS-214662
    15094
    BMW
    CHEMBL1684988
    ZINC000066074541    		 1 C23 H22 N6 O2 InChI=1S/C23H22N6O2/c30-1
    7-3-1-2-15(12-17)21-18-6-
    7-29(16-4-5-19-20(13-16)2
    5-14-24-19)22(18)27-23(26
    -21)28-8-10-31-11-9-28/h1
    -5,12-14,30H,6-11H2,(H,24
    ,25);
    NBBUAPYZXMAOGM-UHFFFAOYSA-N    		 Oc1cccc(c1)c2nc(nc3N(CCc23)c4ccc5[nH]cnc
    5c4)N6CCOCC6; c1cc(cc(c1)O)c2c3c(nc(n2)N
    4CCOCC4)N(CC3)c5ccc6c(c5)nc[nH]6; n1c4c(
    c(nc1N2CCOCC2)c3cccc(O)c3)CCN4c6ccc5ncnc
    5c6    		 3-[7-(1H-benzimidazol-5-yl)-2-(morpholin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]phenol
    15095
    BMX    		 17 C8 H16 N O9 P InChI=1S/C8H16NO9P/c1-3(1
    0)9-5-7(12)6(11)4(18-8(5)
    13)2-17-19(14,15)16/h4-8,
    11-13H,2H2,1H3,(H,9,10)(H
    2,14,15,16)/t4-,5+,6-,7-,
    8+/m1/s1;
    BRGMHAYQAZFZDJ-UOLFYFMNSA-N    		 CC(=O)N[C@H]1[C@H]([C@@H]([C@H](O[C@@H]1
    O)COP(=O)(O)O)O)O; CC(=O)N[CH]1[CH](O)O[
    CH](CO[P](O)(O)=O)[CH](O)[CH]1O; CC(=O)N
    [C@@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@
    @H](O)[C@@H]1O; CC(=O)NC1C(C(C(OC1O)COP(
    =O)(O)O)O)O; O=P(O)(O)OCC1OC(O)C(NC(=O)C
    )C(O)C1O    		 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannopyranose;
    2-(ACETYLAMINO)-2-DEOXY-6-O-PHOSPHONO-ALPHA-D-MANNOPYRANOSE;
    N-acetyl-6-O-phosphono-alpha-D-mannosamine;
    2-acetamido-2-deoxy-6-O-phosphono-alpha-D-mannose;
    2-acetamido-2-deoxy-6-O-phosphono-D-mannose;
    2-acetamido-2-deoxy-6-O-phosphono-mannose
    15096
    BMZ
    DB02287    		 6 C14 H13 N4 O InChI=1S/C14H12N4O/c15-13
    (16)8-5-6-10-11(7-8)18-14
    (17-10)9-3-1-2-4-12(9)19/
    h1-7,19H,(H3,15,16)(H,17,
    18)/p+1;
    URJKRCBBKTXOHS-UHFFFAOYSA-O    		 Oc3ccccc3c2nc1cc(ccc1n2)\C(=[NH2+])N; c1
    ccc(c(c1)c2[nH]c3ccc(cc3n2)C(=[NH2+])N)O
    ; NC(=[NH2+])c1ccc2[nH]c(nc2c1)c3ccccc3O    		 2-(2-HYDROXY-PHENYL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE
    15097
    BN1
    CHEMBL94859    		 3 C8 H10 N6 O4 InChI=1S/C8H10N6O4/c1-14-
    11-6(10-13-14)5-3(7(15)12
    -18-5)2-4(9)8(16)17/h4H,2
    ,9H2,1H3,(H,12,15)(H,16,1
    7);
    YXLQKZHKWIKJKC-UHFFFAOYSA-N    		 O=C(O)C(N)Cc1c(onc1O)c2nn(nn2)C; Cn1nnc(
    n1)c2onc(O)c2CC(N)C(O)=O; Cn1nc(nn1)c2c(
    c(no2)O)CC(C(=O)O)N    		 (S)-2-AMINO-3-[3-HYDROXY-5-(2-METHYL-2H-TETRAZOL-5-YL)ISOXAZOL-4-YL]PROPIONIC ACID;
    2-ME-TET-AMPA
    15098
    BN2
    DB04642
    ZINC000012504445    		 1 C21 H21 Cl3 N2 O5 InChI=1S/C21H21Cl3N2O5/c2
    2-15-8-5-4-7-14(15)20(29)
    26-21(30)25-13-11-16(23)1
    9(17(24)12-13)31-10-6-2-1
    -3-9-18(27)28/h4-5,7-8,11
    -12H,1-3,6,9-10H2,(H,27,2
    8)(H2,25,26,29,30);
    XQTOWNDCHQJXOQ-UHFFFAOYSA-N    		 OC(=O)CCCCCCOc1c(Cl)cc(NC(=O)NC(=O)c2ccc
    cc2Cl)cc1Cl; Clc1cc(cc(Cl)c1OCCCCCCC(=O)
    O)NC(=O)NC(=O)c2ccccc2Cl; c1ccc(c(c1)C(=
    O)NC(=O)Nc2cc(c(c(c2)Cl)OCCCCCCC(=O)O)Cl
    )Cl    		 7-[2,6-DICHLORO-4-({[(2-CHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]HEPTANOIC ACID;
    7-{2,6-DICHLORO-4-[3-(2-CHLORO-BENZOYL)-UREIDO]-PHENOXY}-HEPTANOIC ACID
    15099
    BN3
    DB04643
    ZINC000012504446    		 1 C18 H15 Cl3 N2 O5 InChI=1S/C18H15Cl3N2O5/c1
    9-10-3-5-12(13(20)8-10)17
    (26)23-18(27)22-15-6-4-11
    (9-14(15)21)28-7-1-2-16(2
    4)25/h3-6,8-9H,1-2,7H2,(H
    ,24,25)(H2,22,23,26,27);
    FYQVFMLCZJZZEM-UHFFFAOYSA-N    		 c1cc(c(cc1OCCCC(=O)O)Cl)NC(=O)NC(=O)c2cc
    c(cc2Cl)Cl; Clc2cc(OCCCC(=O)O)ccc2NC(=O)
    NC(=O)c1ccc(Cl)cc1Cl; OC(=O)CCCOc1ccc(NC
    (=O)NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1    		 4-[3-CHLORO-4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)PHENOXY]BUTANOIC ACID;
    4-{3-CHLORO-4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-PHENOXY}-BUTYRIC ACID
    15100
    BN4
    DB04644
    ZINC000012504447    		 1 C20 H20 Cl2 N2 O5 InChI=1S/C20H20Cl2N2O5/c1
    -11-12(2)17(29-9-3-4-18(2
    5)26)8-7-16(11)23-20(28)2
    4-19(27)14-6-5-13(21)10-1
    5(14)22/h5-8,10H,3-4,9H2,
    1-2H3,(H,25,26)(H2,23,24,
    27,28);
    FCEMCUPAYRPTLS-UHFFFAOYSA-N    		 Cc1c(C)c(OCCCC(O)=O)ccc1NC(=O)NC(=O)c2cc
    c(Cl)cc2Cl; Cc1c(c(ccc1NC(=O)NC(=O)c2ccc
    (cc2Cl)Cl)OCCCC(=O)O)C; O=C(c1ccc(Cl)cc1
    Cl)NC(=O)Nc2ccc(OCCCC(=O)O)c(c2C)C    		 4-[4-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2,3-DIMETHYLPHENOXY]BUTANOIC ACID;
    4-{4-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2,3-DIMETHYL-PHENOXY}-BUTYRIC ACID
    15101
    BN5
    DB04645
    ZINC000012504448    		 1 C20 H20 Cl2 N2 O5 InChI=1S/C20H20Cl2N2O5/c1
    -12-16(5-4-6-17(12)29-10-
    3-2-7-18(25)26)23-20(28)2
    4-19(27)14-9-8-13(21)11-1
    5(14)22/h4-6,8-9,11H,2-3,
    7,10H2,1H3,(H,25,26)(H2,2
    3,24,27,28);
    NJJIFGCFUDDBSP-UHFFFAOYSA-N    		 Cc1c(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cccc1OCC
    CCC(O)=O; O=C(c1ccc(Cl)cc1Cl)NC(=O)Nc2cc
    cc(OCCCCC(=O)O)c2C; Cc1c(cccc1OCCCCC(=O)
    O)NC(=O)NC(=O)c2ccc(cc2Cl)Cl    		 5-[3-({[(2,4-DICHLOROBENZOYL)AMINO]CARBONYL}AMINO)-2-METHYLPHENOXY]PENTANOIC ACID;
    5-{3-[3-(2,4-DICHLORO-BENZOYL)-UREIDO]-2-METHYL-PHENOXY}-PENTANOIC ACID
    15102
    BN6
    ZINC000058650107    		 1 C35 H52 N6 O9 InChI=1S/C35H52N6O9/c1-21
    (2)20-50-35(49)39-28(24-9
    -5-3-6-10-24)31(44)40-41(
    19-23-15-16-23)34(48)37-2
    6(17-22-13-14-22)30(43)32
    (45)36-18-27(42)38-29(33(
    46)47)25-11-7-4-8-12-25/h
    4,7-8,11-12,21-24,26,28-3
    0,43H,3,5-6,9-10,13-20H2,
    1-2H3,(H,36,45)(H,37,48)(
    H,38,42)(H,39,49)(H,40,44
    )(H,46,47)/t26-,28-,29-,3
    0+/m0/s1;
    PLFWZBVXDUFZCY-ZVVXMFRTSA-N    		 CC(C)COC(=O)N[CH](C1CCCCC1)C(=O)NN(CC2CC
    2)C(=O)N[CH](CC3CC3)[CH](O)C(=O)NCC(=O)N
    [CH](C(O)=O)c4ccccc4; CC(C)COC(=O)N[C@@H
    ](C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](C
    C3CC3)[C@@H](O)C(=O)NCC(=O)N[C@H](C(O)=O
    )c4ccccc4; CC(C)COC(=O)NC(C1CCCCC1)C(=O)
    NN(CC2CC2)C(=O)NC(CC3CC3)C(C(=O)NCC(=O)N
    C(c4ccccc4)C(=O)O)O; CC(C)COC(=O)N[C@@H]
    (C1CCCCC1)C(=O)NN(CC2CC2)C(=O)N[C@@H](CC
    3CC3)[C@H](C(=O)NCC(=O)N[C@@H](c4ccccc4)
    C(=O)O)O; O=C(NC(C(O)C(=O)NCC(=O)NC(c1cc
    ccc1)C(=O)O)CC2CC2)N(NC(=O)C(NC(=O)OCC(C
    )C)C3CCCCC3)CC4CC4    		 (2S,8R,9S,15S)-15-CYCLOHEXYL-9,12-BIS(CYCLOPROPYLMETHYL)-8-HYDROXY-20-METHYL-4,7,11,14,17-PENTAOXO-2-PHENYL-18-OXA-3,6,10,12,13,16-HEXAAZAHENICOSAN-1-OIC ACID
    15103
    BN7    		 4 C14 H24 N2 O3 S InChI=1S/C14H24N2O3S/c1-9
    (2)7-19-12(17)6-4-3-5-11-
    13-10(8-20-11)15-14(18)16
    -13/h9-11,13H,3-8H2,1-2H3
    ,(H2,15,16,18)/t10-,11-,1
    3-/m0/s1;
    TYWDFVAUHFABAM-GVXVVHGQSA-N    		 CC(C)COC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]1
    2; O=C(OCC(C)C)CCCCC2C1NC(=O)NC1CS2; CC(
    C)COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H
    ]12; CC(C)COC(=O)CCCC[C@H]1[C@@H]2[C@H](
    CS1)NC(=O)N2; CC(C)COC(=O)CCCCC1C2C(CS1)
    NC(=O)N2    		 2-methylpropyl 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate
    15104
    BN8    		 1 C24 H29 Cl F3 N5 O5 S InChI=1S/C24H29ClF3N5O5S/
    c25-18-14-17(24(26,27)28)
    15-20(16-18)32-10-12-33(1
    3-11-32)39(37,38)21-7-5-1
    9(6-8-21)30-23(35)29-9-3-
    1-2-4-22(34)31-36/h5-8,14
    -16,36H,1-4,9-13H2,(H,31,
    34)(H2,29,30,35);
    GMLRUFCQNBOXDH-UHFFFAOYSA-N    		 ONC(=O)CCCCCNC(=O)Nc1ccc(cc1)[S](=O)(=O)
    N2CCN(CC2)c3cc(Cl)cc(c3)C(F)(F)F; c1cc(c
    cc1NC(=O)NCCCCCC(=O)NO)S(=O)(=O)N2CCN(CC
    2)c3cc(cc(c3)Cl)C(F)(F)F; O=S(=O)(c1ccc(
    NC(=O)NCCCCCC(=O)NO)cc1)N1CCN(CC1)c1cc(c
    c(Cl)c1)C(F)(F)F    		 6-{[(4-{4-[3-chloro-5-(trifluoromethyl)phenyl]piperazine-1-sulfonyl}phenyl)carbamoyl]amino}-N-hydroxyhexanamide
    15105
    BNA
    ZINC000033595850    		 0 C24 H20 O2 InChI=1S/C24H20O2/c25-24(
    26)21(15-19-11-5-9-17-7-1
    -3-13-22(17)19)16-20-12-6
    -10-18-8-2-4-14-23(18)20/
    h1-14,21H,15-16H2,(H,25,2
    6);
    RMTCEQSLPGEKAH-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2CC(Cc3cccc4c3cccc4)C(=O)
    O; OC(=O)C(Cc1cccc2ccccc12)Cc3cccc4ccccc
    34; O=C(O)C(Cc2c1ccccc1ccc2)Cc4cccc3cccc
    c34    		 BIS-(NAPHTHYL-1-METHYL) ACETIC ACID
    15106
    BNB    		 1 C36 H41 N7 O3 InChI=1S/C36H41N7O3/c1-25
    -30(8-7-9-31(25)39-34(44)
    26-12-16-29(17-13-26)42-1
    8-5-4-6-19-42)32-24-41(3)
    36(46)33(38-32)37-28-14-1
    0-27(11-15-28)35(45)43-22
    -20-40(2)21-23-43/h7-17,2
    4H,4-6,18-23H2,1-3H3,(H,3
    7,38)(H,39,44);
    VDSHGYXLLSEPML-UHFFFAOYSA-N    		 CN1CCN(CC1)C(=O)c2ccc(NC3=NC(=CN(C)C3=O)
    c4cccc(NC(=O)c5ccc(cc5)N6CCCCC6)c4C)cc2;
    Cc1c(cccc1NC(=O)c2ccc(cc2)N3CCCCC3)C4=C
    N(C(=O)C(=N4)Nc5ccc(cc5)C(=O)N6CCN(CC6)C
    )C    		 N-[2-methyl-3-[4-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]-5-oxo-pyrazin-2-yl]phenyl]-4-(1-piperidyl)benzamide
    15107
    BNC
    ZINC000118925234    		 1 C23 H40 O3 InChI=1S/C23H40O3/c1-5-13
    (2)16-6-7-17-21-18(12-20(
    26)23(16,17)4)22(3)9-8-15
    (24)10-14(22)11-19(21)25/
    h13-21,24-26H,5-12H2,1-4H
    3/t13-,14+,15-,16-,17+,18
    +,19-,20+,21+,22+,23-/m1/
    s1;
    HOGZQSSVBGJUMW-ZTSBSJDLSA-N    		 OC1CCC2(C)C4C(C(O)CC2C1)C3CCC(C(C)CC)C3(
    C)C(O)C4; CCC(C)C1CCC2C1(C(CC3C2C(CC4C3(
    CCC(C4)O)C)O)O)C; CC[C@@H](C)[C@H]1CC[C@
    H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@
    ]4(C)[C@H]3C[C@H](O)[C@]12C; CC[C@@H](C)
    [C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]
    2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O
    )C; CC[CH](C)[CH]1CC[CH]2[CH]3[CH](O)C[C
    H]4C[CH](O)CC[C]4(C)[CH]3C[CH](O)[C]12C    		 5-BETA-24-NOR-CHOLANE-3(ALPHA),7(ALPHA),12(ALPHA)-TRIOL
    15108
    BND
    ZINC000015877669    		 1 C19 H26 N2 O9 InChI=1S/C19H26N2O9/c1-10
    (22)21-14-12(23)8-19(29-2
    ,18(27)28)30-16(14)15(25)
    13(24)9-20-17(26)11-6-4-3
    -5-7-11/h3-7,12-16,23-25H
    ,8-9H2,1-2H3,(H,20,26)(H,
    21,22)(H,27,28)/t12-,13+,
    14+,15+,16+,19+/m0/s1;
    ULZLCALWUIQOMB-YRIWUQCMSA-N    		 CC(=O)NC1C(CC(OC1C(C(CNC(=O)c2ccccc2)O)O
    )(C(=O)O)OC)O; CO[C@@]1(C[C@H](O)[C@@H](
    NC(C)=O)[C@@H](O1)[C@H](O)[C@H](O)CNC(=O
    )c2ccccc2)C(O)=O; CC(=O)N[C@@H]1[C@H](C[
    C@@](O[C@H]1[C@@H]([C@@H](CNC(=O)c2ccccc
    2)O)O)(C(=O)O)OC)O; O=C(c1ccccc1)NCC(O)C
    (O)C2OC(OC)(C(=O)O)CC(O)C2NC(=O)C; CO[C]
    1(C[CH](O)[CH](NC(C)=O)[CH](O1)[CH](O)[C
    H](O)CNC(=O)c2ccccc2)C(O)=O    		 methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;
    ME-A-N-BENZOYL-AMINO-9-DEOXY-NEU5AC;
    methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosidonic acid;
    methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-D-galacto-non-2-ulosidonic acid;
    methyl 5-acetamido-3,5,9-trideoxy-9-[(phenylcarbonyl)amino]-D-glycero-galacto-non-2-ulosidonic acid
    15109
    BNE
    CHEMBL294888
    ZINC000024042774    		 1 C28 H33 N5 O2 InChI=1S/C28H33N5O2/c1-5-
    28(13-6-7-14-32(3)26(28)3
    4)22-9-8-10-23(15-22)35-2
    4-16-21(12-11-20(24)17-29
    )27(2,30)25-18-31-19-33(2
    5)4/h8-12,15-16,18-19H,5-
    7,13-14,30H2,1-4H3/t27-,2
    8-/m0/s1;
    MHNMEERHZSPWFL-NSOVKSMOSA-N    		 CCC1(CCCCN(C1=O)C)c2cccc(c2)Oc3cc(ccc3C#
    N)C(C)(c4cncn4C)N; CC[C]1(CCCCN(C)C1=O)c
    2cccc(Oc3cc(ccc3C#N)[C](C)(N)c4cncn4C)c2
    ; O=C1N(C)CCCCC1(c4cc(Oc2c(C#N)ccc(c2)C(
    N)(c3cncn3C)C)ccc4)CC; CC[C@]1(CCCCN(C)C
    1=O)c2cccc(Oc3cc(ccc3C#N)[C@](C)(N)c4cnc
    n4C)c2; CC[C@]1(CCCCN(C1=O)C)c2cccc(c2)O
    c3cc(ccc3C#N)[C@@](C)(c4cncn4C)N    		 2-[3-(3-ETHYL-1-METHYL-2-OXO-AZEPAN-3-YL)-PHENOXY]-4-[1-AMINO-1-(1-METHYL-1H-IMIDIZOL-5-YL)-ETHYL]-BENZONITRILE
    15110
    BNF
    CHEMBL46293
    DB02481
    ZINC000087515328    		 6 C8 H9 N O InChI=1S/C8H9NO/c10-7-9-6
    -8-4-2-1-3-5-8/h1-5,7H,6H
    2,(H,9,10);
    IIBOGKHTXBPGEI-UHFFFAOYSA-N    		 c1ccc(cc1)CNC=O; O=CNCc1ccccc1 N-BENZYLFORMAMIDE
    15111
    BNG
    CHEMBL490225
    DB02451
    ZINC000015609263    		 0 C15 H30 O6 InChI=1S/C15H30O6/c1-2-3-
    4-5-6-7-8-9-20-15-14(19)1
    3(18)12(17)11(10-16)21-15
    /h11-19H,2-10H2,1H3/t11-,
    12-,13+,14-,15-/m1/s1;
    QFAPUKLCALRPLH-UXXRCYHCSA-N    		 CCCCCCCCCOC1C(C(C(C(O1)CO)O)O)O; CCCCCCC
    CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO
    )O)O)O; O(CCCCCCCCC)C1OC(C(O)C(O)C1O)CO;
    CCCCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[
    CH]1O; CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H]
    (O)[C@H](O)[C@H]1O    		 nonyl beta-D-glucopyranoside;
    Beta-NONYLGLUCOSIDE;
    nonyl beta-D-glucoside;
    nonyl D-glucoside;
    nonyl glucoside
    15112
    BNH
    ZINC000003966115    		 1 C36 H51 N5 O9 InChI=1S/C36H51N5O9/c1-21
    (2)20-50-36(49)41-29(24-9
    -5-3-6-10-24)33(45)39-27(
    18-23-15-16-23)32(44)38-2
    6(17-22-13-14-22)31(43)34
    (46)37-19-28(42)40-30(35(
    47)48)25-11-7-4-8-12-25/h
    4,7-8,11-12,21-24,26-27,2
    9-30H,3,5-6,9-10,13-20H2,
    1-2H3,(H,37,46)(H,38,44)(
    H,39,45)(H,40,42)(H,41,49
    )(H,47,48)/t26-,27-,29-,3
    0-/m0/s1;
    VZZMJPCOMQVXJP-ZHTHUIBPSA-N    		 O=C(NC(C(=O)NC(C(=O)C(=O)NCC(=O)NC(c1ccc
    cc1)C(=O)O)CC2CC2)CC3CC3)C(NC(=O)OCC(C)C
    )C4CCCCC4; CC(C)COC(=O)NC(C1CCCCC1)C(=O)
    NC(CC2CC2)C(=O)NC(CC3CC3)C(=O)C(=O)NCC(=
    O)NC(c4ccccc4)C(=O)O; CC(C)COC(=O)N[C@@H
    ](C1CCCCC1)C(=O)N[C@@H](CC2CC2)C(=O)N[C@
    @H](CC3CC3)C(=O)C(=O)NCC(=O)N[C@H](C(O)=
    O)c4ccccc4; CC(C)COC(=O)N[C@@H](C1CCCCC1
    )C(=O)N[C@@H](CC2CC2)C(=O)N[C@@H](CC3CC3
    )C(=O)C(=O)NCC(=O)N[C@@H](c4ccccc4)C(=O)
    O; CC(C)COC(=O)N[CH](C1CCCCC1)C(=O)N[CH]
    (CC2CC2)C(=O)N[CH](CC3CC3)C(=O)C(=O)NCC(
    =O)N[CH](C(O)=O)c4ccccc4    		 [(N-{3-[(N-{CYCLOHEXYL[(ISOBUTOXYCARBONYL)AMINO]ACETYL}-3-CYCLOPROPYLALANYL)AMINO]-4-CYCLOPROPYL-2-OXOBUTANOYL}GLYCYL)AMINO](PHENYL)ACETIC ACID
    15113
    BNI
    DB03549
    ZINC000006535889    		 22 C16 H20 N4 O4 S InChI=1S/C16H20N4O4S/c21-
    14(17-10-5-7-11(8-6-10)20
    (23)24)4-2-1-3-13-15-12(9
    -25-13)18-16(22)19-15/h5-
    8,12-13,15H,1-4,9H2,(H,17
    ,21)(H2,18,19,22)/t12-,13
    -,15-/m0/s1;
    PORZMUYPQKOFQY-YDHLFZDLSA-N    		 c1cc(ccc1NC(=O)CCCCC2C3C(CS2)NC(=O)N3)[N
    +](=O)[O-]; O=C1NC2C(SCC2N1)CCCCC(=O)Nc3
    ccc([N+]([O-])=O)cc3; [O-][N+](=O)c1ccc(
    NC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@H]23
    )cc1; c1cc(ccc1NC(=O)CCCC[C@H]2[C@@H]3[C
    @H](CS2)NC(=O)N3)[N+](=O)[O-]; [O-][N+](
    =O)c1ccc(NC(=O)CCCC[CH]2SC[CH]3NC(=O)N[C
    H]23)cc1    		 5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-AMIDE;
    BIOTINYL P-NITROANILINE
    15114
    BNJ
    CHEMBL3409982
    ZINC000263621288    		 1 C14 H16 N2 O3 S2 InChI=1S/C14H16N2O3S2/c17
    -14-15-13(9-20-14)10-4-3-
    7-12(8-10)21(18,19)16-11-
    5-1-2-6-11/h3-4,7-9,11,16
    H,1-2,5-6H2,(H,15,17);
    YNSRHWKJAMIAPD-UHFFFAOYSA-N    		 O=C1NC(=CS1)c2cccc(c2)[S](=O)(=O)NC3CCCC
    3; O=C3SC=C(c1cc(ccc1)S(=O)(=O)NC2CCCC2)
    N3; c1cc(cc(c1)S(=O)(=O)NC2CCCC2)C3=CSC(
    =O)N3    		 N-cyclopentyl-3-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
    15115
    BNK
    CHEMBL3409994
    ZINC000263620872    		 1 C14 H15 Cl N2 O3 S2 InChI=1S/C14H15ClN2O3S2/c
    15-11-6-5-9(12-8-21-14(18
    )16-12)7-13(11)22(19,20)1
    7-10-3-1-2-4-10/h5-8,10,1
    7H,1-4H2,(H,16,18);
    PBWTZCXFWIEPCV-UHFFFAOYSA-N    		 Clc1ccc(cc1[S](=O)(=O)NC2CCCC2)C3=CSC(=O
    )N3; O=C3SC=C(c1cc(c(Cl)cc1)S(=O)(=O)NC2
    CCCC2)N3; c1cc(c(cc1C2=CSC(=O)N2)S(=O)(=
    O)NC3CCCC3)Cl    		 2-chloro-N-cyclopentyl-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)benzenesulfonamide
    15116
    BNL
    CHEMBL14092
    ZINC000000968250    		 30 C12 H10 InChI=1S/C12H10/c1-3-7-11
    (8-4-1)12-9-5-2-6-10-12/h
    1-10H;
    ZUOUZKKEUPVFJK-UHFFFAOYSA-N    		 c1cc(ccc1)c2ccccc2; c1ccc(cc1)c2ccccc2 BIPHENYL
    15117
    BNM
    CHEMBL3410003
    ZINC000263620844    		 1 C18 H21 N3 O4 S2 InChI=1S/C18H21N3O4S2/c22
    -17(11-5-6-11)19-14-7-12(
    16-10-26-18(23)20-16)8-15
    (9-14)27(24,25)21-13-3-1-
    2-4-13/h7-11,13,21H,1-6H2
    ,(H,19,22)(H,20,23);
    OLJJIVPNEQZRJR-UHFFFAOYSA-N    		 O=C1NC(=CS1)c2cc(NC(=O)C3CC3)cc(c2)[S](=
    O)(=O)NC4CCCC4; c1c(cc(cc1NC(=O)C2CC2)S(
    =O)(=O)NC3CCCC3)C4=CSC(=O)N4; O=C4SC=C(c
    2cc(cc(NC(=O)C1CC1)c2)S(=O)(=O)NC3CCCC3)
    N4    		 N-[3-(cyclopentylsulfamoyl)-5-(2-oxo-2,3-dihydro-1,3-thiazol-4-yl)phenyl]cyclopropanecarboxamide
    15118
    BNN
    ZINC000006614430    		 0 C12 H15 N3 O3 InChI=1S/C12H15N3O3/c1-7(
    16)15-10(12(17)18)6-8-2-4
    -9(5-3-8)11(13)14/h2-5,10
    H,6H2,1H3,(H3,13,14)(H,15
    ,16)(H,17,18)/t10-/m0/s1;
    OKWDELZOYQDSQL-JTQLQIEISA-N    		 O=C(O)C(NC(=O)C)Cc1ccc(cc1)C(=[N@H])N; C
    C(=O)N[CH](Cc1ccc(cc1)C(N)=N)C(O)=O; CC(
    =O)NC(Cc1ccc(cc1)C(=N)N)C(=O)O; [H]/N=C(
    \c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)C)/N; CC
    (=O)N[C@@H](Cc1ccc(cc1)C(N)=N)C(O)=O    		 ACETYL-P-AMIDINOPHENYLALANINE
    15119
    BNO    		 0 C5 H14 B N O2 InChI=1S/C5H14BNO2/c1-2-3
    -4-5(7)6(8)9/h5,8-9H,2-4,
    7H2,1H3/t5-/m0/s1;
    KKWSSPUIRYKIAT-YFKPBYRVSA-N    		 CCCC[C@H](N)B(O)O; B(C(CCCC)N)(O)O; B([C
    @H](CCCC)N)(O)O; OB(O)C(N)CCCC; CCCC[CH]
    (N)B(O)O    		 NORLEUCINE BORONIC ACID
    15120
    BNP
    CHEMBL31466
    ZINC000003951355    		 0 C32 H35 N O3 InChI=1S/C32H35NO3/c1-2-7
    -25(8-3-1)23-34-19-6-20-3
    5-30-15-13-28(14-16-30)31
    -17-18-33-22-32(31)36-24-
    26-11-12-27-9-4-5-10-29(2
    7)21-26/h1-5,7-16,21,31-3
    3H,6,17-20,22-24H2/t31-,3
    2+/m1/s1;
    SBQHXMHGXWOGFR-ZWXJPIIXSA-N    		 c1ccc(cc1)COCCCOc2ccc(cc2)C3CCNCC3OCc4cc
    c5ccccc5c4; C(COCc1ccccc1)COc2ccc(cc2)[C
    H]3CCNC[CH]3OCc4ccc5ccccc5c4; c1ccc(cc1)
    COCCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3OCc4ccc
    5ccccc5c4; C(COCc1ccccc1)COc2ccc(cc2)[C@
    H]3CCNC[C@@H]3OCc4ccc5ccccc5c4; O(Cc2cc1
    ccccc1cc2)C5C(c4ccc(OCCCOCc3ccccc3)cc4)C
    CNC5    		 (3R,4R)-4-{4-[3-(BENZYLOXY)PROPOXY]PHENYL}-3-(2-NAPHTHYLMETHOXY)PIPERIDINE
    15121
    BNQ
    CHEMBL3235533
    ZINC000000651288    		 1 C22 H18 N2 O S InChI=1S/C22H18N2OS/c25-2
    1(24-22-23-19-13-7-8-14-2
    0(19)26-22)15-18(16-9-3-1
    -4-10-16)17-11-5-2-6-12-1
    7/h1-14,18H,15H2,(H,23,24
    ,25);
    GYQWKTIZRYVFEM-UHFFFAOYSA-N    		 c1ccc(cc1)C(CC(=O)Nc2nc3ccccc3s2)c4ccccc
    4; O=C(CC(c1ccccc1)c2ccccc2)Nc3sc4ccccc4
    n3    		 ~{N}-(1,3-benzothiazol-2-yl)-3,3-diphenyl-propanamide
    15122
    BNR    		 0 C62 H66 N2 O20 InChI=1S/C62H64N2O20/c1-2
    5-51(35(67)17-41(81-25)83
    -39-21-61(77,27(3)65)19-3
    3-45(39)59(75)49-47(55(33
    )71)53(69)31-9-7-11-37(79
    -5)43(31)57(49)73)63-23-2
    9-13-15-30(16-14-29)24-64
    -52-26(2)82-42(18-36(52)6
    8)84-40-22-62(78,28(4)66)
    20-34-46(40)60(76)50-48(5
    6(34)72)54(70)32-10-8-12-
    38(80-6)44(32)58(50)74/h7
    -16,25-26,35-36,39-42,51-
    52,63-64,67-68,71-72,75-7
    8H,17-24H2,1-6H3/p+2/t25-
    ,26-,35-,36-,39-,40-,41-,
    42-,51+,52+,61-,62-/m0/s1;
    CRXRBKHVHUKITD-MJSRGEEMSA-P    		 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[
    C@H]5C[C@H](O)[C@H]([NH2+]Cc6ccc(C[NH2+]
    [C@H]7[C@@H](O)C[C@@H](O[C@H]7C)O[C@H]8C
    [C@@](O)(Cc9c(O)c%10C(=O)c%11cccc(OC)c%1
    1C(=O)c%10c(O)c89)C(C)=O)cc6)[C@H](C)O5)
    c4c(O)c3C(=O)c12)C(C)=O; O=C2c1c(O)c%11c
    (c(O)c1C(=O)c3cccc(OC)c23)CC(O)(C(=O)C)C
    C%11OC4OC(C)C(C(O)C4)[NH2+]Cc5ccc(cc5)C[
    NH2+]C%10C(OC(OC9c8c(O)c7C(=O)c6c(OC)ccc
    c6C(=O)c7c(O)c8CC(O)(C(=O)C)C9)CC%10O)C;
    COc1cccc2C(=O)c3c(O)c4C[C](O)(C[CH](O[C
    H]5C[CH](O)[CH]([NH2+]Cc6ccc(C[NH2+][CH]
    7[CH](O)C[CH](O[CH]7C)O[CH]8C[C](O)(Cc9c
    (O)c%10C(=O)c%11cccc(OC)c%11C(=O)c%10c(O
    )c89)C(C)=O)cc6)[CH](C)O5)c4c(O)c3C(=O)c
    12)C(C)=O; C[C@H]1[C@H]([C@H](C[C@@H](O1
    )O[C@H]2C[C@@](Cc3c2c(c4c(c3O)C(=O)c5ccc
    c(c5C4=O)OC)O)(C(=O)C)O)O)[NH2+]Cc6ccc(c
    c6)C[NH2+][C@@H]7[C@@H](O[C@H](C[C@@H]7O
    )O[C@H]8C[C@@](Cc9c8c(c1c(c9O)C(=O)c2ccc
    c(c2C1=O)OC)O)(C(=O)C)O)C; CC1C(C(CC(O1)
    OC2CC(Cc3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)
    OC)O)(C(=O)C)O)O)[NH2+]Cc6ccc(cc6)C[NH2+
    ]C7C(OC(CC7O)OC8CC(Cc9c8c(c1c(c9O)C(=O)c
    2cccc(c2C1=O)OC)O)(C(=O)C)O)C    		 BIS-DAUNORUBICIN;
    WP652
    15123
    BNS
    CHEMBL1422641
    ZINC000001555312    		 4 C6 H6 O3 S InChI=1S/C6H6O3S/c7-10(8,
    9)6-4-2-1-3-5-6/h1-5H,(H,
    7,8,9);
    SRSXLGNVWSONIS-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)O; O[S](=O)(=O)c1cccc
    c1; O=S(=O)(O)c1ccccc1    		 benzenesulfonic acid
    15124
    BNT
    CHEMBL1231418
    DB04646
    ZINC000002011646    		 10 C10 H10 Br2 O2 InChI=1S/C10H10Br2O2/c1-4
    (2)6-8(12)9(13)5(3)7(11)1
    0(6)14/h4H,1-3H3;
    GHHZELQYJPWSMG-UHFFFAOYSA-N    		 BrC1=C(C(=O)C(Br)=C(C1=O)C(C)C)C; CC(C)C
    1=C(Br)C(=O)C(=C(Br)C1=O)C; CC1=C(C(=O)C
    (=C(C1=O)Br)C(C)C)Br    		 2,5-DIBROMO-3-ISOPROPYL-6-METHYLBENZO-1,4-QUINONE;
    2,5-DIBROMO-3-METHYL-6-ISOPROPYLBENZOQUINONE;
    DBMIB
    15125
    BNU
    CHEMBL1193910
    ZINC000028765646    		 1 C16 H18 Br N3 O3 InChI=1S/C16H18BrN3O3/c1-
    2-19-9-11(16(22)23)15(21)
    10-7-12(17)14(8-13(10)19)
    20-5-3-18-4-6-20/h7-9,18H
    ,2-6H2,1H3,(H,22,23);
    DAPHRWWQHCSXBW-UHFFFAOYSA-N    		 O=C(O)C2=CN(c1cc(c(Br)cc1C2=O)N3CCNCC3)C
    C; CCN1C=C(C(O)=O)C(=O)c2cc(Br)c(cc12)N3
    CCNCC3; CCN1C=C(C(=O)c2c1cc(c(c2)Br)N3CC
    NCC3)C(=O)O    		 6-bromo-1-ethyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid
    15126
    BNV
    ZINC000002037244    		 2 C15 H30 O2 InChI=1S/C15H30O2/c1-3-14
    (2)12-10-8-6-4-5-7-9-11-1
    3-15(16)17/h14H,3-13H2,1-
    2H3,(H,16,17)/t14-/m0/s1;
    XKLJLHAPJBUBNL-AWEZNQCLSA-N    		 CCC(C)CCCCCCCCCCC(=O)O; CC[C@H](C)CCCCCC
    CCCCC(=O)O; C(O)(CCCCCCCCCCC(C)CC)=O; CC
    [CH](C)CCCCCCCCCCC(O)=O; CC[C@H](C)CCCCC
    CCCCCC(O)=O    		 (12S)-12-methyltetradecanoic acid
    15127
    BNW    		 4 C20 H32 N3 O22 P3 InChI=1S/C20H32N3O22P3/c1
    -7(18(29)30)40-16-12(21-8
    (2)25)19(42-9(5-24)15(16)
    43-46(32,33)34)44-48(37,3
    8)45-47(35,36)39-6-10-13(
    27)14(28)17(41-10)23-4-3-
    11(26)22-20(23)31/h3-4,7,
    9-10,12-17,19,24,27-28H,5
    -6H2,1-2H3,(H,21,25)(H,29
    ,30)(H,35,36)(H,37,38)(H,
    22,26,31)(H2,32,33,34)/t7
    -,9-,10-,12-,13-,14-,15-,
    16-,17-,19-/m1/s1;
    YABLFTRLTDPKPE-MQTLHLSBSA-N    		 CC(C(=O)O)OC1C(C(OC(C1OP(=O)(O)O)CO)OP(=
    O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3
    =O)O)O)NC(=O)C; C[C@@H](O[C@@H]1[C@@H](N
    C(C)=O)[C@H](O[C@H](CO)[C@H]1O[P](O)(O)=
    O)O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([
    C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)C(O)=O;
    C[C@H](C(=O)O)O[C@@H]1[C@H]([C@H](O[C@@H
    ]([C@H]1OP(=O)(O)O)CO)OP(=O)(O)OP(=O)(O)
    OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O
    )NC3=O)O)O)NC(=O)C; C[CH](O[CH]1[CH](NC(
    C)=O)[CH](O[CH](CO)[CH]1O[P](O)(O)=O)O[P
    ](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[
    CH]2O)N3C=CC(=O)NC3=O)C(O)=O    		 UDP-N-acetyl-muramic acid-4'phosphate
    15128
    BNX
    ZINC000013507637    		 5 C6 H13 O9 P InChI=1S/C6H13O9P/c7-1-2-
    3(8)4(9)5(6(10)14-2)15-16
    (11,12)13/h2-10H,1H2,(H2,
    11,12,13)/t2-,3-,4+,5-,6-
    /m1/s1;
    SIUIENVKPUKAHD-VFUOTHLCSA-N    		 OC[C@H]1O[C@@H](O)[C@H](O[P](O)(O)=O)[C@
    @H](O)[C@@H]1O; O=P(OC1C(O)C(O)C(OC1O)CO
    )(O)O; C([C@@H]1[C@H]([C@@H]([C@H]([C@@H
    ](O1)O)OP(=O)(O)O)O)O)O; C(C1C(C(C(C(O1)
    O)OP(=O)(O)O)O)O)O; OC[CH]1O[CH](O)[CH](
    O[P](O)(O)=O)[CH](O)[CH]1O    		 2-O-phosphono-beta-D-glucopyranose;
    2-O-phosphono-beta-D-glucose;
    2-O-phosphono-D-glucose;
    2-O-phosphono-glucose
    15129
    BNY
    ZINC000196037160    		 4 C14 H12 N2 O4 InChI=1S/C14H12N2O4/c1-9-
    11(7-4-8-13(9)16(19)20)15
    -12-6-3-2-5-10(12)14(17)1
    8/h2-8,15H,1H3,(H,17,18);
    HDSHJLYBOCCRCF-UHFFFAOYSA-N    		 O=C(c2ccccc2Nc1c(c(N(=O)=O)ccc1)C)O; Cc1
    c(cccc1N(=O)=O)Nc2ccccc2C(=O)O; Cc1c(Nc2
    ccccc2C(O)=O)cccc1[N](=O)=O    		 2-[(2-methyl-3-nitrophenyl)amino]benzoic acid
    15130
    BNZ
    CHEMBL277500
    ZINC000000967532    		 9 C6 H6 InChI=1S/C6H6/c1-2-4-6-5-
    3-1/h1-6H;
    UHOVQNZJYSORNB-UHFFFAOYSA-N    		 c1ccccc1 BENZENE
    15131
    BO0    		 1 C7 H12 O4 InChI=1S/C7H12O4/c8-2-3-1
    -4-7(11-4)6(10)5(3)9/h3-1
    0H,1-2H2/t3-,4-,5-,6+,7-/
    m1/s1;
    CQDNTUVVKVNNOI-BNWJMWRWSA-N    		 C1[C@@H]([C@H]([C@@H]([C@H]2[C@@H]1O2)O)
    O)CO; OC[C@H]1C[C@H]2O[C@H]2[C@@H](O)[C@
    @H]1O; C1C(C(C(C2C1O2)O)O)CO; OC[CH]1C[C
    H]2O[CH]2[CH](O)[CH]1O    		 (1~{S},2~{S},3~{R},4~{R},6~{R})-4-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3-diol
    15132
    BO1
    CHEMBL1089968
    ZINC000004216414    		 1 C12 H18 N2 O7 S InChI=1S/C12H18N2O7S/c13-
    22(19,20)7-3-1-6(2-4-7)14
    -12-11(18)10(17)9(16)8(5-
    15)21-12/h1-4,8-12,14-18H
    ,5H2,(H2,13,19,20)/t8-,9-
    ,10+,11-,12-/m1/s1;
    RMCYKIOWPVOBJX-RMPHRYRLSA-N    		 c1cc(ccc1NC2C(C(C(C(O2)CO)O)O)O)S(=O)(=O
    )N; N[S](=O)(=O)c1ccc(N[CH]2O[CH](CO)[CH
    ](O)[CH](O)[CH]2O)cc1; O=S(=O)(N)c1ccc(c
    c1)NC2OC(C(O)C(O)C2O)CO; c1cc(ccc1N[C@H]
    2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)S
    (=O)(=O)N; N[S](=O)(=O)c1ccc(N[C@@H]2O[C
    @H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1    		 N-(4-sulfamoylphenyl)-beta-D-glucopyranosylamine;
    N-[4-(AMINOSULFONYL)PHENYL]-BETA-D-GLUCOPYRANOSYLAMINE;
    N-(4-sulfamoylphenyl)-beta-D-glucosylamine;
    N-(4-sulfamoylphenyl)-D-glucosylamine;
    N-(4-sulfamoylphenyl)-glucosylamine
    15133
    BO2
    CHEMBL325041
    DB00188
    ZINC000169746649    		 206 C19 H25 B N4 O4 InChI=1S/C19H25BN4O4/c1-1
    3(2)10-17(20(27)28)24-18(
    25)15(11-14-6-4-3-5-7-14)
    23-19(26)16-12-21-8-9-22-
    16/h3-9,12-13,15,17,27-28
    H,10-11H2,1-2H3,(H,23,26)
    (H,24,25)/t15-,17-/m0/s1;
    GXJABQQUPOEUTA-RDJZCZTQSA-N    		 CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2
    cnccn2)B(O)O; B(C(CC(C)C)NC(=O)C(Cc1cccc
    c1)NC(=O)c2cnccn2)(O)O; CC(C)C[C@H](NC(=
    O)[C@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O;
    O=C(NC(C(=O)NC(B(O)O)CC(C)C)Cc1ccccc1)c2
    nccnc2; B([C@H](CC(C)C)NC(=O)[C@H](Cc1cc
    ccc1)NC(=O)c2cnccn2)(O)O    		 N-[(1R)-1-(DIHYDROXYBORYL)-3-METHYLBUTYL]-N-(PYRAZIN-2-YLCARBONYL)-L-PHENYLALANINAMIDE;
    BORTEZOMIB
    15134
    BO3
    CHEMBL42403
    DB11326
    ZINC000245189278    		 2 B H3 O3 InChI=1S/BH3O3/c2-1(3)4/h
    2-4H;
    KGBXLFKZBHKPEV-UHFFFAOYSA-N    		 B(O)(O)O; OB(O)O BORIC ACID
    15135
    BO4    		 2 B H4 O4 InChI=1S/BH4O4/c2-1(3,4)5
    /h2-5H/q-1;
    KCFLOKKYWBPKFN-UHFFFAOYSA-N    		 [B-](O)(O)(O)O; O[B-](O)(O)O BORATE ION
    15136
    BO5
    ZINC000095921283    		 1 C19 H24 Cl N O4 InChI=1S/C19H24ClNO4/c1-2
    1-10-8-6-4-2-3-5-7-9-13(2
    2)11-14-17(19(21)25)15(23
    )12-16(24)18(14)20/h4,6,1
    2,23-24H,2-3,5,7-11H2,1H3
    /b6-4+;
    WWDYZJACOLMKDH-GQCTYLIASA-N    		 CN1CCC=CCCCCCC(=O)Cc2c(c(cc(c2Cl)O)O)C1=
    O; CN1CC/C=C/CCCCCC(=O)Cc2c(Cl)c(O)cc(O)
    c2C1=O; CN1CC/C=C/CCCCCC(=O)Cc2c(c(cc(c2
    Cl)O)O)C1=O; O=C2c1c(O)cc(O)c(Cl)c1CC(=O
    )CCCCCC=CCCN2C; CN1CCC=CCCCCCC(=O)Cc2c(C
    l)c(O)cc(O)c2C1=O    		 (9E)-19-CHLORANYL-13-METHYL-16,18-BIS(OXIDANYL)-13-AZABICYCLO[13.4.0]NONADECA-1(15),9,16,18-TETRAENE-3,14-DIONE
    15137
    BO6    		 0 C28 H25 N3 InChI=1S/C28H24N3/c1-30-1
    5-11-21(12-16-30)3-5-23-7
    -9-27-25(19-23)26-20-24(8
    -10-28(26)29-27)6-4-22-13
    -17-31(2)18-14-22/h3-20H,
    1-2H3/q+1/p+1;
    LXYNXOVLEQWDLL-UHFFFAOYSA-O    		 C[n+]1ccc(C=Cc2ccc3[nH]c4ccc(C=Cc5cc[n+]
    (C)cc5)cc4c3c2)cc1; C[n+]1ccc(cc1)/C=C/c
    2cc3c4c([nH]c3cc2)ccc(c4)/C=C/c5cc[n+](c
    c5)C; C[n+]1ccc(cc1)C=Cc2ccc3c(c2)c4cc(c
    cc4[nH]3)C=Cc5cc[n+](cc5)C; C[n+]1ccc(\C
    =C\c2ccc3[nH]c4ccc(/C=C/c5cc[n+](C)cc5)c
    c4c3c2)cc1    		 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole
    15138
    BO7
    CHEMBL488609
    ZINC000000388567    		 0 C9 H10 O4 InChI=1S/C9H10O4/c1-12-6-
    4-3-5-7(13-2)8(6)9(10)11/
    h3-5H,1-2H3,(H,10,11);
    MBIZFBDREVRUHY-UHFFFAOYSA-N    		 COc1cccc(c1C(=O)O)OC; COc1cccc(OC)c1C(O)
    =O    		 2,6-DIMETHOXYBENZOIC ACID
    15139
    BO8
    ZINC000198004839    		 2 C9 H20 B N2 O6 InChI=1S/C9H20BN2O6/c1-6(
    10(16,17)18)12-8(13)5-3-2
    -4-7(11)9(14)15/h6-7,16-1
    8H,2-5,11H2,1H3,(H,12,13)
    (H,14,15)/q-1/t6-,7-/m1/s
    1;
    ZSMKWHGOAVMEJJ-RNFRBKRXSA-N    		 [B-]([C@@H](C)NC(=O)CCCC[C@H](C(=O)O)N)(
    O)(O)O; O=C(NC(C)[B-](O)(O)O)CCCCC(C(=O)
    O)N; C[C@@H](NC(=O)CCCC[C@@H](N)C(O)=O)[
    B-](O)(O)O; C[CH](NC(=O)CCCC[CH](N)C(O)=
    O)[B-](O)(O)O; [B-](C(C)NC(=O)CCCCC(C(=O
    )O)N)(O)(O)O    		 (D-ALPHA-AMINOPIMELYLAMINO)-D-1-ETHYLBORONIC ACID
    15140
    BO9
    DB04647
    ZINC000169748488    		 1 C26 H41 B N4 O10 InChI=1S/C26H41BN4O10/c1-
    17(27(38)39)29-22(33)19(1
    2-8-9-15-28-24(36)40-16-1
    8-10-6-5-7-11-18)30-21(32
    )14-13-20(23(34)35)31-25(
    37)41-26(2,3)4/h5-7,10-11
    ,17,19-20,38-39H,8-9,12-1
    6H2,1-4H3,(H,28,36)(H,29,
    33)(H,30,32)(H,31,37)(H,3
    4,35)/t17-,19+,20+/m1/s1;
    OTTYWVUOPWENAJ-HOJAQTOUSA-N    		 B([C@@H](C)NC(=O)[C@H](CCCCNC(=O)OCc1ccc
    cc1)NC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)
    C)(O)O; C[C@@H](NC(=O)[C@H](CCCCNC(=O)OC
    c1ccccc1)NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C
    (O)=O)B(O)O; O=C(OC(C)(C)C)NC(C(=O)O)CCC
    (=O)NC(C(=O)NC(B(O)O)C)CCCCNC(=O)OCc1ccc
    cc1; B(C(C)NC(=O)C(CCCCNC(=O)OCc1ccccc1)
    NC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C)(O)O; C
    [CH](NC(=O)[CH](CCCCNC(=O)OCc1ccccc1)NC(
    =O)CC[CH](NC(=O)OC(C)(C)C)C(O)=O)B(O)O    		 N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-L-LYSINAMIDE;
    BOC-GAMMA-D-GLU-L-LYS(CBZ)-D-BOROALA
    15141
    BOA
    DB04283
    ZINC000009974955    		 1 C5 H3 Br N4 O InChI=1S/C5H3BrN4O/c6-5-9
    -3-2(4(11)10-5)7-1-8-3/h1
    H,(H2,7,8,9,10,11);
    ONXCBJOMYNPZNI-UHFFFAOYSA-N    		 Brc1nc(O)c2c(n1)ncn2; Oc1nc(Br)nc2nc[nH]
    c12; c1[nH]c2c(n1)nc(nc2O)Br    		 2-BROMO-6-HYDROXY-PURINE
    15142
    BOB
    ZINC000058661127    		 23 C19 H35 N3 O8 S InChI=1S/C19H35N3O8S/c1-2
    -3-4-5-14(24)15(8-9-23)31
    -11-13(18(28)21-10-17(26)
    27)22-16(25)7-6-12(20)19(
    29)30/h12-15,23-24H,2-11,
    20H2,1H3,(H,21,28)(H,22,2
    5)(H,26,27)(H,29,30)/t12-
    ,13-,14+,15-/m0/s1;
    CLEVVMDJDMEQKG-XQLPTFJDSA-N    		 CCCCC[CH](O)[CH](CCO)SC[CH](NC(=O)CC[CH]
    (N)C(O)=O)C(=O)NCC(O)=O; CCCCC[C@@H](O)[
    C@H](CCO)SC[C@H](NC(=O)CC[C@H](N)C(O)=O)
    C(=O)NCC(O)=O; CCCCCC(C(CCO)SCC(C(=O)NCC
    (=O)O)NC(=O)CCC(C(=O)O)N)O; CCCCC[C@H]([
    C@H](CCO)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC
    [C@@H](C(=O)O)N)O; O=C(NC(C(=O)NCC(=O)O)
    CSC(C(O)CCCCC)CCO)CCC(C(=O)O)N    		 (S)-2-amino-5-((R)-1-(carboxymethylamino)-3-((3S,4R)-1,4-dihydroxynonan-3-ylthio)-1-oxopropan-2-ylamino)-5-oxopentanoic acid;
    L-gamma-glutamyl-S-[(1S,2R)-2-hydroxy-1-(2-hydroxyethyl)heptyl]-L-cysteinylglycine
    15143
    BOC
    ZINC000002560456    		 0 C5 H10 O3 InChI=1S/C5H10O3/c1-5(2,3
    )8-4(6)7/h1-3H3,(H,6,7);
    XKXIQBVKMABYQJ-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)O; O=C(O)OC(C)(C)C; CC(C)(
    C)OC(O)=O    		 TERT-BUTYL HYDROGEN CARBONATE
    15144
    BOD
    CHEMBL4468777    		 4 C19 H22 N8 O InChI=1S/C19H22N8O/c1-28-
    19-23-10-14(11-24-19)13-3
    -2-4-15(9-13)26-5-7-27(8-
    6-26)16-12-22-18(21)25-17
    (16)20/h2-4,9-12H,5-8H2,1
    H3,(H4,20,21,22,25);
    GUZBZPCNAJDYMO-UHFFFAOYSA-N    		 c1(c(cnc(N)n1)N4CCN(c2cc(ccc2)c3cnc(nc3)
    OC)CC4)N; COc1ncc(cn1)c2cccc(c2)N3CCN(CC
    3)c4cnc(nc4N)N; COc1ncc(cn1)c2cccc(c2)N3
    CCN(CC3)c4cnc(N)nc4N    		 5-{4-[3-(2-methoxypyrimidin-5-yl)phenyl]piperazin-1-yl}pyrimidine-2,4-diamine
    15145
    BOE
    ZINC000058660488    		 0 C19 H25 N2 O10 P InChI=1S/C19H25N2O10P/c1-
    12-9-21(19(24)20-17(12)23
    )18-16(15(22)14(31-18)11-
    30-32(25,26)27)29-8-7-28-
    10-13-5-3-2-4-6-13/h2-6,9
    ,14-16,18,22H,7-8,10-11H2
    ,1H3,(H,20,23,24)(H2,25,2
    6,27)/t14-,15-,16-,18-/m1
    /s1;
    LZEOXHFYJVFRES-YFHUEUNASA-N    		 O=C1NC(=O)N(C=C1C)C3OC(C(O)C3OCCOCc2cccc
    c2)COP(=O)(O)O; CC1=CN([C@@H]2O[C@H](CO[
    P](O)(O)=O)[C@@H](O)[C@H]2OCCOCc3ccccc3)
    C(=O)NC1=O; CC1=CN([CH]2O[CH](CO[P](O)(O
    )=O)[CH](O)[CH]2OCCOCc3ccccc3)C(=O)NC1=O
    ; CC1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H](
    [C@H](O2)COP(=O)(O)O)O)OCCOCc3ccccc3; CC
    1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O
    )OCCOCc3ccccc3    		 2'-O-[2-(BENZYLOXY)ETHYL] THYMIDINE-5'-MONOPHOSPHATE
    15146
    BOF    		 1 C23 H25 N5 O InChI=1S/C23H25N5O/c1-14-
    5-8-19(9-6-14)28-16(3)24-
    25-22(28)17-7-12-20-21(13
    -17)27(18-10-11-18)15(2)2
    3(29)26(20)4/h5-9,12-13,1
    5,18H,10-11H2,1-4H3/t15-/
    m1/s1;
    FHWAFMUGPZBZHB-OAHLLOKOSA-N    		 Cc1ccc(cc1)n2c(nnc2c3ccc4c(c3)N(C(C(=O)N
    4C)C)C5CC5)C; C[CH]1N(C2CC2)c3cc(ccc3N(C
    )C1=O)c4nnc(C)n4c5ccc(C)cc5; Cc1ccc(cc1)
    n2c(nnc2c3ccc4c(c3)N([C@@H](C(=O)N4C)C)C
    5CC5)C; C[C@H]1N(C2CC2)c3cc(ccc3N(C)C1=O
    )c4nnc(C)n4c5ccc(C)cc5; CN5c3c(cc(c1nnc(
    n1c2ccc(cc2)C)C)cc3)N(C4CC4)C(C)C5=O    		 (3R)-4-cyclopropyl-1,3-dimethyl-6-[5-methyl-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]-3,4-dihydroquinoxalin-2(1H)-one
    15147
    BOG
    CHEMBL446037
    ZINC000040165555    		 11 C14 H28 O6 InChI=1S/C14H28O6/c1-2-3-
    4-5-6-7-8-19-14-13(18)12(
    17)11(16)10(9-15)20-14/h1
    0-18H,2-9H2,1H3/t10-,11-,
    12+,13-,14-/m1/s1;
    HEGSGKPQLMEBJL-RKQHYHRCSA-N    		 CCCCCCCCOC1C(C(C(C(O1)CO)O)O)O; CCCCCCCC
    O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O; CCC
    CCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1
    )CO)O)O)O; CCCCCCCCO[C@@H]1O[C@H](CO)[C@
    @H](O)[C@H](O)[C@H]1O; O(CCCCCCCC)C1OC(C
    (O)C(O)C1O)CO    		 octyl beta-D-glucopyranoside;
    Beta-Octylglucoside;
    octyl beta-D-glucoside;
    octyl D-glucoside;
    octyl glucoside
    15148
    BOH
    CHEMBL4639771    		 2 C14 H15 N3 O3 S InChI=1S/C14H15N3O3S/c1-7
    (15)13(20)17-14-16-11(8(2
    )18)12(21-14)9-4-3-5-10(1
    9)6-9/h3-7,19H,15H2,1-2H3
    ,(H,16,17,20)/t7-/m1/s1;
    GDTJBYZKZGXLNU-SSDOTTSWSA-N    		 C[C@@H](N)C(=O)Nc1sc(c2cccc(O)c2)c(n1)C(
    C)=O; C[CH](N)C(=O)Nc1sc(c2cccc(O)c2)c(n
    1)C(C)=O; CC(C(=O)Nc1nc(c(s1)c2cccc(c2)O
    )C(=O)C)N; C[C@H](C(=O)Nc1nc(c(s1)c2cccc
    (c2)O)C(=O)C)N    		 (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide
    15149
    BOI    		 2 C18 H24 Cl N3 O11 P2 InChI=1S/C18H24ClN3O11P2/
    c1-21-14(20-31-8-11-2-4-1
    2(19)5-3-11)6-7-22(18(21)
    25)17-16(24)15(23)13(33-1
    7)9-32-35(29,30)10-34(26,
    27)28/h2-7,13,15-17,23-24
    H,8-10H2,1H3,(H,29,30)(H2
    ,26,27,28)/b20-14+/t13-,1
    5-,16-,17-/m1/s1;
    LIVNQTQAYASRSG-UEUWNTQGSA-N    		 CN1C(=O)N(C=CC1=NOCc2ccc(Cl)cc2)[CH]3O[C
    H](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]3
    O; CN1C(=NOCc2ccc(cc2)Cl)C=CN(C1=O)C3C(C
    (C(O3)COP(=O)(CP(=O)(O)O)O)O)O; CN1/C(=N
    /OCc2ccc(cc2)Cl)/C=CN(C1=O)[C@H]3[C@@H](
    [C@@H]([C@H](O3)COP(=O)(CP(=O)(O)O)O)O)O
    ; CN/1C(=O)N(C=CC/1=N/OCc2ccc(Cl)cc2)[C@
    @H]3O[C@H](CO[P](O)(=O)C[P](O)(O)=O)[C@@
    H](O)[C@H]3O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[(4~{E})-4-[(4-chlorophenyl)methoxyimino]-3-methyl-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
    15150
    BOJ    		 2 C17 H24 N6 InChI=1S/C17H24N6/c1-2-6-
    14-15(16(18)21-17(19)20-1
    4)23-11-9-22(10-12-23)13-
    7-4-3-5-8-13/h3-5,7-8H,2,
    6,9-12H2,1H3,(H4,18,19,20
    ,21);
    NVJSDHWZOFXFSJ-UHFFFAOYSA-N    		 CCCc1nc(N)nc(N)c1N2CCN(CC2)c3ccccc3; CCC
    c1c(c(nc(n1)N)N)N2CCN(CC2)c3ccccc3; c3cc
    (N2CCN(c1c(CCC)nc(N)nc1N)CC2)ccc3    		 5-(4-phenylpiperazin-1-yl)-6-propylpyrimidine-2,4-diamine
    15151
    BOL
    CHEMBL1357627
    ZINC000000061524    		 3 C13 H10 I N O InChI=1S/C13H10INO/c14-12
    -9-5-4-8-11(12)13(16)15-1
    0-6-2-1-3-7-10/h1-9H,(H,1
    5,16);
    LJOZMWRYMKECFF-UHFFFAOYSA-N    		 Ic1ccccc1C(=O)Nc2ccccc2; c1ccc(cc1)NC(=O
    )c2ccccc2I    		 2-iodo-N-phenylbenzamide
    15152
    BOM
    DB02982    		 4 C16 H30 O InChI=1S/C16H30O/c1-2-3-4
    -5-6-7-8-9-10-11-12-13-14
    -15-16-17/h4-7,17H,2-3,8-
    16H2,1H3/b5-4-,7-6+;
    CIVIWCVVOFNUST-SCFJQAPRSA-N    		 CCCC=CC=CCCCCCCCCCO; CCC\C=C/C=C/CCCCCCC
    CCO; OCCCCCCCCC\C=C\C=C/CCC    		 HEXADECA-10,12-DIEN-1-OL;
    BOMBYKOL
    15153
    BON
    CHEMBL190447    		 1 C12 H19 B N2 O4 S InChI=1S/C12H19BN2O4S/c1-
    11(2)12(3,4)19-13(18-11)9
    -5-7-10(8-6-9)15-20(14,16
    )17/h5-8,15H,1-4H3,(H2,14
    ,16,17);
    YQWUJQMJCQBCRA-UHFFFAOYSA-N    		 B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NS(=O)(=O
    )N; CC1(C)OB(OC1(C)C)c2ccc(N[S](N)(=O)=O
    )cc2; O=S(=O)(N)Nc2ccc(B1OC(C)(C)C(O1)(C
    )C)cc2    		 N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]sulfamide
    15154
    BOP    		 0 C7 H7 Br O InChI=1S/C7H7BrO/c1-9-7-4
    -2-6(8)3-5-7/h2-5H,1H3;
    QJPJQTDYNZXKQF-UHFFFAOYSA-N    		 ether; COc1ccc(cc1)Br; COc1ccc(Br)cc1 1-BROMO-4-METHOXYBENZENE
    15155
    BOQ
    CHEMBL1584149
    ZINC000000032660    		 1 C12 H19 N O3 InChI=1S/C12H19NO3/c1-5-1
    5-11(14)8-6-10(12(2,3)4)1
    6-9(8)7-13/h6H,5,7,13H2,1
    -4H3;
    JXCNRNVAFQVPDO-UHFFFAOYSA-N    		 CCOC(=O)c1cc(oc1CN)C(C)(C)C ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate
    15156
    BOR
    CHEMBL1231428    		 0 C5 H15 B N4 O2 InChI=1S/C5H15BN4O2/c7-4(
    6(11)12)2-1-3-10-5(8)9/h4
    ,11-12H,1-3,7H2,(H4,8,9,1
    0)/t4-/m0/s1;
    ACTXPNAHMKBUTO-BYPYZUCNSA-N    		 B(C(CCCNC(=N)N)N)(O)O; OB(O)C(N)CCCNC(=[
    N@H])N; N[C@@H](CCCNC(N)=N)B(O)O; N[CH](
    CCCNC(N)=N)B(O)O; B([C@H](CCCNC(=N)N)N)(
    O)O    		 (1R)-1-AMINO-4-{[(E)-AMINO(IMINO)METHYL]AMINO}BUTYLBORONIC ACID;
    BORO ARGININE
    15157
    BOS
    CHEMBL386049
    DB07476    		 1 C13 H12 N2 O3 S2 InChI=1S/C13H12N2O3S2/c14
    -20(17,18)10-7-5-9(6-8-10
    )15-13(16)11-3-1-2-4-12(1
    1)19/h1-8,19H,(H,15,16)(H
    2,14,17,18);
    MRLVIVXGUGNENL-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)Nc2ccc(cc2)S(=O)(=O)N)S;
    N[S](=O)(=O)c1ccc(NC(=O)c2ccccc2S)cc1;
    O=C(c1ccccc1S)Nc2ccc(cc2)S(=O)(=O)N    		 N-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDE
    15158
    BOT    		 0 C7 H5 N S InChI=1/C7H5NS/c1-2-4-7-6
    (3-1)8-5-9-7/h1-5H;
    IOJUPLGTWVMSFF-UHFFFAOYAC    		 n1c2ccccc2sc1; s1cnc2ccccc12; c1ccc2c(c1
    )ncs2    		 BENZOTHIAZOLE
    15159
    BOU
    ZINC000066166096    		 2 C22 H22 N2 O6 S InChI=1S/C22H22N2O6S/c1-2
    2(2)17(21(29)30)24-19(31-
    22)16(11-25)23-18(26)14-9
    -5-3-7-12(14)13-8-4-6-10-
    15(13)20(27)28/h3-11,16-1
    7,19,24H,1-2H3,(H,23,26)(
    H,27,28)(H,29,30)/t16-,17
    +,19-/m1/s1;
    RFZQTRAFQUXQJP-ZIFCJYIRSA-N    		 CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O)
    c2ccccc2c3ccccc3C(O)=O)C=O; CC1(C(NC(S1)
    C(C=O)NC(=O)c2ccccc2c3ccccc3C(=O)O)C(=O)
    O)C; CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(
    =O)c2ccccc2c3ccccc3C(=O)O)C(=O)O)C; CC1(
    C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)c2ccccc2
    c3ccccc3C(O)=O)C=O; O=C(NC(C=O)C1SC(C(N1
    )C(=O)O)(C)C)c3ccccc3c2ccccc2C(=O)O    		 (2R,4S)-2-[(1R)-1-{[(2'-carboxybiphenyl-2-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
    CBAP, open form;
    benzoyl-6-amino penicilloic acid, open form
    15160
    BOV    		 2 C22 H27 F2 N5 O4 InChI=1S/C22H27F2N5O4/c1-
    12(2)8-17(27-21(32)18-9-1
    4-15(24)4-3-5-16(14)26-18
    )22(33)28-29(19(30)10-23)
    11-13-6-7-25-20(13)31/h3-
    5,9,12-13,17,26H,6-8,10-1
    1H2,1-2H3,(H,25,31)(H,27,
    32)(H,28,33)/t13-,17-/m0/
    s1;
    MRCDFPNCOHGYQJ-GUYCJALGSA-N    		 CC(C)C[C@H](NC(=O)c1[nH]c2cccc(F)c2c1)C(
    =O)NN(C[C@@H]3CCNC3=O)C(=O)CF; CC(C)CC(C
    (=O)NN(CC1CCNC1=O)C(=O)CF)NC(=O)c2cc3c([
    nH]2)cccc3F; CC(C)C[CH](NC(=O)c1[nH]c2cc
    cc(F)c2c1)C(=O)NN(C[CH]3CCNC3=O)C(=O)CF;
    CC(C)C[C@@H](C(=O)NN(C[C@@H]1CCNC1=O)C(
    =O)CF)NC(=O)c2cc3c([nH]2)cccc3F    		 4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide
    15161
    BOW
    CHEMBL24261    		 1 C8 H19 N O3 S InChI=1S/C8H19NO3S/c1-2-3
    -4-5-6-7-8-12-13(9,10)11/
    h2-8H2,1H3,(H2,9,10,11);
    ZXWAFSSPWCHAJT-UHFFFAOYSA-N    		 CCCCCCCCO[S](N)(=O)=O; CCCCCCCCOS(=O)(=O
    )N; O=S(=O)(OCCCCCCCC)N    		 octyl sulfamate;
    n-Octyl sulfamate
    15162
    BOX    		 0 C7 H6 O2 InChI=1/C7H6O2/c8-7(9)6-4
    -2-1-3-5-6/h1-5H,(H,8,9)/
    f/h8H;
    WPYMKLBDIGXBTP-FZOZFQFYCI    		 O=C(O)c1ccccc1; c1ccc(cc1)C(=O)O; OC(=O)
    c1ccccc1    		 BENZOIC ACID
    15163
    BOY    		 1 C8 H11 O4 P InChI=1S/C8H11O4P/c1-6-2-
    4-7(5-3-6)8(9)13(10,11)12
    /h2-5,8-9H,1H3,(H2,10,11,
    12)/t8-/m1/s1;
    AFOAUCXHAIELNA-MRVPVSSYSA-N    		 Cc1ccc(cc1)[C@H](O)[P](O)(O)=O; Cc1ccc(c
    c1)C(P(O)(O)=O)O; Cc1ccc(cc1)[C@H](O)P(=
    O)(O)O; Cc1ccc(cc1)[CH](O)[P](O)(O)=O; C
    c1ccc(cc1)C(O)P(=O)(O)O    		 [(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid
    15164
    BOZ
    DB03443    		 1 C17 H18 N8 O Zn InChI=1S/C17H18N8O.Zn/c18
    -14(19)7-1-3-9-11(5-7)24-
    16(22-9)13(26)17-23-10-4-
    2-8(15(20)21)6-12(10)25-1
    7;/h1-6,14-15H,18-21H2,(H
    ,22,24)(H,23,25);/q;+2;
    ZZTKUHCUDLEGEN-UHFFFAOYSA-N    		 c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=
    O)Nc5c4ccc(c5)C(N)N; [Zn++].NC(N)c1ccc2n
    c([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)N    		 BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC
    15165
    BP    		 0 C20 H16 O3 InChI=1/C20H16O3/c21-16-9
    -14-13-7-6-11-3-1-2-10-4-
    5-12(18(13)17(10)11)8-15(
    14)19(22)20(16)23/h1-8,16
    ,19-23H,9H2/t16-,19-,20-/
    m1/s1;
    GFANZDFKCCJYRF-NSISKUIABV    		 c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H
    ]([C@@H]4O)O)O; O[C@@H]1Cc2c(cc3ccc4cccc
    5ccc2c3c45)[C@@H](O)[C@@H]1O; c1cc2ccc3c
    c4c(c5c3c2c(c1)cc5)CC(C(C4O)O)O; O[CH]1C
    c2c(cc3ccc4cccc5ccc2c3c45)[CH](O)[CH]1O;
    OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O    		 (-)-7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE
    15166
    BP0
    CHEMBL2177758
    ZINC000001663350    		 1 C8 H12 N6 S3 InChI=1S/C8H12N6S3/c9-7-1
    3-11-5(16-7)1-3-15-4-2-6-
    12-14-8(10)17-6/h1-4H2,(H
    2,9,13)(H2,10,14);
    AOAQKDDVWLOZFV-UHFFFAOYSA-N    		 S(CCc1nnc(s1)N)CCc2nnc(s2)N; C(CSCCc1nnc
    (s1)N)c2nnc(s2)N; Nc1sc(CCSCCc2sc(N)nn2)
    nn1    		 5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine)
    15167
    BP1
    DB02168
    ZINC000005783717    		 3 C5 H3 Br N4 InChI=1S/C5H3BrN4/c6-4-3-
    5(9-1-7-3)10-2-8-4/h1-2H,
    (H,7,8,9,10);
    CTGFGRDVWBZYNB-UHFFFAOYSA-N    		 Brc1ncnc2nc[nH]c12; c1[nH]c2c(n1)ncnc2Br
    ; Brc1ncnc2ncnc12    		 6-BROMO-7H-PURINE;
    BROMOPURINE
    15168
    BP2    		 2 C10 H17 O7 P2 InChI=1S/C10H20O7P2/c1-9(
    2)7-4-5-10(9,3)8(6-7)16-1
    9(14,15)17-18(11,12)13/h7
    -8H,4-6H2,1-3H3,(H,14,15)
    (H2,11,12,13)/p-3/t7-,8+,
    10+/m1/s1;
    VZPAJODTZAAANV-WEDXCCLWSA-K    		 CC1(C2CCC1(C(C2)OP(=O)([O-])OP(=O)([O-])
    [O-])C)C; CC1(C)[C@@H]2CC[C@@]1(C)[C@H](
    C2)O[P]([O-])(=O)O[P]([O-])([O-])=O; CC1
    ([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])
    OP(=O)([O-])[O-])C)C; CC1(C)[CH]2CC[C]1(
    C)[CH](C2)O[P]([O-])(=O)O[P]([O-])([O-])
    =O    		 (+)-BORNYL DIPHOSPHATE
    15169
    BP3
    DB01925    		 2 C12 H9 Cl O2 InChI=1S/C12H9ClO2/c13-10
    -6-2-1-4-8(10)9-5-3-7-11(
    14)12(9)15/h1-7,14-15H;
    SNGROCQMAKYWRE-UHFFFAOYSA-N    		 Clc2ccccc2c1c(O)c(O)ccc1; c1ccc(c(c1)c2c
    ccc(c2O)O)Cl; Oc1cccc(c1O)c2ccccc2Cl    		 2'-CHLORO-BIPHENYL-2,3-DIOL
    15170
    BP4
    CHEMBL413965
    DB07477
    ZINC000000002318    		 2 C14 H12 O2 InChI=1S/C14H12O2/c15-14(
    16)10-11-6-8-13(9-7-11)12
    -4-2-1-3-5-12/h1-9H,10H2,
    (H,15,16);
    QRZAKQDHEVVFRX-UHFFFAOYSA-N    		 OC(=O)Cc1ccc(cc1)c2ccccc2; c1ccc(cc1)c2c
    cc(cc2)CC(=O)O; O=C(O)Cc1ccc(cc1)c2ccccc
    2    		 biphenyl-4-ylacetic acid
    15171
    BP5
    ZINC000016052406    		 1 C13 H13 N3 O2 InChI=1S/C13H13N3O2/c14-1
    0(13(17)18)7-9-4-5-12(16-
    8-9)11-3-1-2-6-15-11/h1-6
    ,8,10H,7,14H2,(H,17,18)/t
    10-/m0/s1;
    VWTQURBMIRJISI-JTQLQIEISA-N    		 N[C@@H](Cc1ccc(nc1)c2ccccn2)C(O)=O; N[CH
    ](Cc1ccc(nc1)c2ccccn2)C(O)=O; O=C(O)C(N)
    Cc2cnc(c1ncccc1)cc2; c1ccnc(c1)c2ccc(cn2
    )CC(C(=O)O)N; c1ccnc(c1)c2ccc(cn2)C[C@@H
    ](C(=O)O)N    		 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE
    15172
    BP6
    DB03259
    ZINC000002047793    		 2 C12 H8 Cl2 O2 InChI=1S/C12H8Cl2O2/c13-8
    -4-2-5-9(14)11(8)7-3-1-6-
    10(15)12(7)16/h1-6,15-16H;
    MCZUCSAAGDCHHN-UHFFFAOYSA-N    		 c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl; Oc1cccc(
    c1O)c2c(Cl)cccc2Cl; Clc2cccc(Cl)c2c1c(O)
    c(O)ccc1    		 2',6'-DICHLORO-BIPHENYL-2,6-DIOL
    15173
    BP7
    CHEMBL475398
    DB07478
    ZINC000000436616    		 7 C12 H10 O2 InChI=1S/C12H10O2/c13-11-
    7-6-10(8-12(11)14)9-4-2-1
    -3-5-9/h1-8,13-14H;
    QDNPCYCBQFHNJC-UHFFFAOYSA-N    		 Oc1ccc(cc1O)c2ccccc2; c1ccc(cc1)c2ccc(c(
    c2)O)O; Oc2ccc(c1ccccc1)cc2O    		 1,1'-BIPHENYL-3,4-DIOL;
    3,4-DIHYDROXYBIPHENYL
    15174
    BP8
    CHEMBL1704892
    ZINC000002898271    		 1 C9 H14 N6 S2 InChI=1S/C9H14N6S2/c10-8-
    14-12-6(16-8)4-2-1-3-5-7-
    13-15-9(11)17-7/h1-5H2,(H
    2,10,14)(H2,11,15);
    KEOUOMDZUGENOX-UHFFFAOYSA-N    		 C(CCc1nnc(s1)N)CCc2nnc(s2)N; n1nc(sc1CCC
    CCc2nnc(s2)N)N; Nc1sc(CCCCCc2sc(N)nn2)nn
    1    		 5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine)
    15175
    BP9
    ZINC000095837056    		 1 C8 H12 N6 S2 InChI=1S/C8H12N6S2/c9-7-1
    3-11-5(15-7)3-1-2-4-6-12-
    14-8(10)16-6/h1-4H2,(H2,9
    ,13)(H2,10,14);
    FXLSMCSUYSZCFA-UHFFFAOYSA-N    		 Nc1sc(CCCCc2sc(N)nn2)nn1; C(CCc1nnc(s1)N
    )Cc2nnc(s2)N; n1nc(sc1CCCCc2nnc(s2)N)N    		 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine)
    15176
    BPA    		 0 C20 H16 O3 InChI=1S/C20H16O3/c21-16-
    9-14-13-7-6-11-3-1-2-10-4
    -5-12(18(13)17(10)11)8-15
    (14)19(22)20(16)23/h1-8,1
    6,19-23H,9H2/t16-,19+,20+
    /m1/s1;
    GFANZDFKCCJYRF-UXPWSPDFSA-N    		 c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CC(C(C4O)O)
    O; O[C@@H]1Cc2c(cc3ccc4cccc5ccc2c3c45)[C
    @H](O)[C@H]1O; c1cc2ccc3cc4c(c5c3c2c(c1)
    cc5)C[C@H]([C@@H]([C@H]4O)O)O; O[CH]1Cc2
    c(cc3ccc4cccc5ccc2c3c45)[CH](O)[CH]1O; O
    C5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O    		 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE
    15177
    BPB    		 183 C55 H74 N4 O6 InChI=1S/C55H74N4O6/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/
    h13,25,27-32,34-35,40,51,
    57,59H,14-24,26H2,1-12H3/
    b33-25+,39-13+,41-29-,42-
    27-,43-27-,44-28-,45-28-,
    46-29-,52-50-/t31-,32-,34
    -,35+,40+,51-/m1/s1;
    SFKCKJXMIAKQMY-GTTFDWDMSA-N    		 COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc
    5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5
    C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)C
    CC[CH](C)CCCC(C)C; COC(=O)[C@H]1C(=O)c2c
    (C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=C
    /C)/[C@H]6C)c(C(C)=O)c5C)[C@@H](C)[C@@H]
    4CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)
    CCCC(C)C; O=C(OC\C=C(/C)CCCC(C)CCCC(C)CC
    CC(C)C)CCC6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc
    (cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)/C(=C/C)
    C5C)C)C6C; CC=C1c2cc3c(c4c([nH]3)c(c5nc(
    cc6c(c(c([nH]6)cc(n2)C1C)C(=O)C)C)C(C5CC
    C(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(
    C4=O)C(=O)OC)C; C/C=C\1/c2/cc\3/c(c4c([n
    H]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C
    )C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)
    CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C    		 BACTERIOPHEOPHYTIN B
    15178
    BPC    		 0 C20 H16 O3 InChI=1/C20H16O3/c21-16-9
    -14-13-7-6-11-3-1-2-10-4-
    5-12(18(13)17(10)11)8-15(
    14)19(22)20(16)23/h1-8,16
    ,19-23H,9H2/t16-,19-,20-/
    m1/s1;
    GFANZDFKCCJYRF-NSISKUIABV    		 c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H
    ]([C@@H]4O)O)O; O[C@@H]1Cc2c(cc3ccc4cccc
    5ccc2c3c45)[C@@H](O)[C@@H]1O; c1cc2ccc3c
    c4c(c5c3c2c(c1)cc5)CC(C(C4O)O)O; O[CH]1C
    c2c(cc3ccc4cccc5ccc2c3c45)[CH](O)[CH]1O;
    OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O    		 (7R,8R,9R)-7,8,9,10-TETRAHYDROBENZO[DEF]CHRYSENE-7,8,9-TRIOL
    15179
    BPD
    DB02698
    ZINC000003873792    		 1 C21 H12 F3 N O5 InChI=1S/C21H12F3NO5/c22-
    21(23,24)11-4-1-5-12(10-1
    1)25-15-8-2-6-13(19(26)27
    )17(15)30-18-14(20(28)29)
    7-3-9-16(18)25/h1-10H,(H,
    26,27)(H,28,29);
    NQOOJFXBGLOGTC-UHFFFAOYSA-N    		 c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C
    (=O)O)C(F)(F)F; FC(F)(F)c4cc(N1c3c(Oc2c1
    cccc2C(=O)O)c(ccc3)C(=O)O)ccc4; OC(=O)c1
    cccc2N(c3cccc(c3)C(F)(F)F)c4cccc(C(O)=O)
    c4Oc12    		 N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID
    15180
    BPE
    DB04648
    ZINC000012504449    		 0 C6 H16 N2 O S InChI=1S/C6H16N2OS/c7-2-1
    -3-10-5-6(8)4-9/h6,9H,1-5
    ,7-8H2/t6-/m1/s1;
    RYOVYWMBACBGOD-ZCFIWIBFSA-N    		 C(CN)CSC[C@@H](CO)N; OCC(N)CSCCCN; NCCCS
    C[CH](N)CO; NCCCSC[C@H](N)CO; C(CN)CSCC(
    CO)N    		 (2S)-2-AMINO-3-[(3-AMINOPROPYL)SULFANYL]PROPAN-1-OL;
    S-PROPYLAMINE-L-CYSTEINE
    15181
    BPF    		 0 C22 H26 N4 O InChI=1S/C22H24N4O/c1-3-2
    5-21(23)17-9-5-15(6-10-17
    )19-13-14-20(27-19)16-7-1
    1-18(12-8-16)22(24)26-4-2
    /h5-14H,3-4H2,1-2H3,(H2,2
    3,25)(H2,24,26)/p+2;
    UDRBFQQQLONWPG-UHFFFAOYSA-P    		 CC[NH+]=C(N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3
    )C(N)=[NH+]CC; o1c(ccc1c2ccc(/C(=[NH+]/C
    C)N)cc2)c3ccc(C(=[NH+]/CC)/N)cc3; CC/[NH
    +]=C(\N)/c1ccc(cc1)c2oc(cc2)c3ccc(cc3)/C
    (=[NH+]/CC)/N; CC[NH+]=C(c1ccc(cc1)c2ccc
    (o2)c3ccc(cc3)C(=[NH+]CC)N)N    		 N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium;
    DB185;
    FURAMIDINE DERIVATIVE
    15182
    BPG
    CHEMBL406254
    DB02495    		 2 C15 H17 N5 O2 InChI=1S/C15H17N5O2/c21-9
    -5-4-8-20-10-16-12-13(20)
    18-15(19-14(12)22)17-11-6
    -2-1-3-7-11/h1-3,6-7,10,2
    1H,4-5,8-9H2,(H2,17,18,19
    ,22);
    JHBXNPBKSPYOFT-UHFFFAOYSA-N    		 O=C1c3ncn(c3N=C(N1)Nc2ccccc2)CCCCO; OCCC
    Cn1cnc2C(=O)NC(=Nc12)Nc3ccccc3; c1ccc(cc
    1)NC2=Nc3c(ncn3CCCCO)C(=O)N2    		 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE
    15183
    BPH    		 726 C55 H76 N4 O6 InChI=1S/C55H76N4O6/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,
    57,59H,13-24,26H2,1-12H3/
    b33-25+,41-29-,42-27-,43-
    27-,44-28-,45-28-,46-29-,
    52-50-/t31-,32-,34-,35+,3
    9-,40+,51-/m1/s1;
    KWOZSBGNAHVCKG-SZQBJALDSA-N    		 O=C(OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC
    6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc(cc3c(c2C(
    =O)C(c4c2n3)C(=O)OC)C)C(CC)C5C)C)C6C; CC
    [C@@H]1[C@@H](C)c2cc3[nH]c(cc4nc([C@@H](
    CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)C
    CCC(C)C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c
    6c(C)c([nH]c56)cc1n2)c(C)c3C(C)=O; CCC1c
    2cc3c(c4c([nH]3)c(c5nc(cc6c(c(c([nH]6)cc
    (n2)C1C)C(=O)C)C)C(C5CCC(=O)OCC=C(C)CCCC
    (C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C; C
    CC1c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c
    ([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O
    )OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C
    4=O)C(=O)OC)C; CC[CH]1[CH](C)c2cc3[nH]c(
    cc4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[
    CH](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=
    O)c6c(C)c([nH]c56)cc1n2)c(C)c3C(C)=O    		 BACTERIOPHEOPHYTIN A
    15184
    BPI
    DB07479
    ZINC000033607667    		 1 C18 H16 O3 InChI=1S/C18H16O3/c19-15-
    9-14-13(17(20)18(15)21)8-
    7-11-6-5-10-3-1-2-4-12(10
    )16(11)14/h1-8,15,17-21H,
    9H2/t15-,17-,18-/m1/s1;
    WCUHTHVUZQCBTI-KBAYOESNSA-N    		 O[C@@H]1Cc2c(ccc3ccc4ccccc4c23)[C@@H](O)
    [C@@H]1O; c1ccc2c(c1)ccc3c2c4c(cc3)[C@H]
    ([C@@H]([C@@H](C4)O)O)O; OC4c3c(c1c(ccc2
    c1cccc2)cc3)CC(O)C4O; c1ccc2c(c1)ccc3c2c
    4c(cc3)C(C(C(C4)O)O)O; O[CH]1Cc2c(ccc3cc
    c4ccccc4c23)[CH](O)[CH]1O    		 (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL;
    1S-TRANS-ANTI-BENZO[C]PHENANTHRENE
    15185
    BPJ
    ZINC000033821232    		 0 C18 H16 O3 InChI=1S/C18H16O3/c19-15-
    9-14-13(17(20)18(15)21)8-
    7-11-6-5-10-3-1-2-4-12(10
    )16(11)14/h1-8,15,17-21H,
    9H2/t15-,17-,18-/m0/s1;
    WCUHTHVUZQCBTI-SZMVWBNQSA-N    		 c1ccc2c(c1)ccc3c2c4c(cc3)[C@@H]([C@H]([C
    @H](C4)O)O)O; OC4c3c(c1c(ccc2c1cccc2)cc3
    )CC(O)C4O; c1ccc2c(c1)ccc3c2c4c(cc3)C(C(
    C(C4)O)O)O; O[CH]1Cc2c(ccc3ccc4ccccc4c23
    )[CH](O)[CH]1O; O[C@H]1Cc2c(ccc3ccc4cccc
    c4c23)[C@H](O)[C@H]1O    		 (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL;
    1R-TRANS-ANTI-BENZO[C]PHENANTHRENE
    15186
    BPK
    CHEMBL2069625    		 1 C18 H17 N O3 InChI=1S/C18H17NO3/c1-13-
    17(12-21-16-9-5-6-14(10-1
    6)11-20)19-18(22-13)15-7-
    3-2-4-8-15/h2-10,20H,11-1
    2H2,1H3;
    UPVJJOGZAKVERR-UHFFFAOYSA-N    		 Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO; n1c(
    c(oc1c2ccccc2)C)COc3cc(ccc3)CO; Cc1oc(nc
    1COc2cccc(CO)c2)c3ccccc3    		 {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
    15187
    BPL
    ZINC000033607674    		 0 C22 H16 N2 O InChI=1S/C22H16N2O/c1-23-
    22(25)24-21-17-8-3-2-7-15
    (17)16-11-9-13-5-4-6-14-1
    0-12-18(21)20(16)19(13)14
    /h2-12H,1H3,(H2,23,24,25);
    BRZOCLVBOXAQBG-UHFFFAOYSA-N    		 CNC(=O)Nc1c2ccccc2c3ccc4cccc5c4c3c1cc5;
    O=C(NC)Nc4c5c(c1ccc3c2c1c4ccc2ccc3)cccc5
    ; CNC(=O)Nc1c2ccccc2c3ccc4cccc5ccc1c3c45    		 1-BENZO[A]PYREN-6-YL-3-METHYL-UREA;
    6-[3-METHYLUREAYL]-BENZO[A]PYRENE
    15188
    BPM
    DB07480
    ZINC000003871034    		 2 C13 H14 O8 P2 InChI=1S/C13H14O8P2/c14-2
    2(15,16)20-12-5-1-10(2-6-
    12)9-11-3-7-13(8-4-11)21-
    23(17,18)19/h1-8H,9H2,(H2
    ,14,15,16)(H2,17,18,19);
    LGSCVLKUKMBYNC-UHFFFAOYSA-N    		 O[P](O)(=O)Oc1ccc(Cc2ccc(O[P](O)(O)=O)cc
    2)cc1; c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP
    (=O)(O)O; O=P(O)(O)Oc1ccc(cc1)Cc2ccc(OP(
    =O)(O)O)cc2    		 4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN;
    bis-(para-phosphophenyl)
    15189
    BPN
    CHEMBL153580
    ZINC000000157462    		 2 C7 H7 N O3 InChI=1S/C7H7NO3/c9-5-6-1
    -3-7(4-2-6)8(10)11/h1-4,9
    H,5H2;
    JKTYGPATCNUWKN-UHFFFAOYSA-N    		 c1cc(ccc1CO)[N+](=O)[O-]; [O-][N+](=O)c1
    ccc(cc1)CO; OCc1ccc(cc1)[N+]([O-])=O    		 PARANITROBENZYL ALCOHOL
    15190
    BPO
    CHEMBL283765
    ZINC000003870904    		 1 C28 H28 N4 O3 InChI=1S/C28H28N4O3/c29-2
    6(30)22-12-7-13-23(18-22)
    27(34)31-24(19-8-3-1-4-9-
    19)28(35)32-16-14-21(15-1
    7-32)25(33)20-10-5-2-6-11
    -20/h1-13,18,21,24H,14-17
    H2,(H3,29,30)(H,31,34)/t2
    4-/m1/s1;
    SEXVRUMCMJFNTJ-XMMPIXPASA-N    		 O=C(N2CCC(C(=O)c1ccccc1)CC2)C(c3ccccc3)N
    C(=O)c4cccc(C(=[N@H])N)c4; [H]N=C(c1cccc
    (c1)C(=O)NC(c2ccccc2)C(=O)N3CCC(CC3)C(=O
    )c4ccccc4)N; [H]/N=C(\c1cccc(c1)C(=O)N[C
    @H](c2ccccc2)C(=O)N3CCC(CC3)C(=O)c4ccccc
    4)/N; NC(=N)c1cccc(c1)C(=O)N[CH](C(=O)N2
    CC[CH](CC2)C(=O)c3ccccc3)c4ccccc4; NC(=N
    )c1cccc(c1)C(=O)N[C@@H](C(=O)N2CC[C@H](C
    C2)C(=O)c3ccccc3)c4ccccc4    		 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE
    15191
    BPP
    CHEMBL407425
    ZINC000018274825    		 1 C22 H24 N4 O InChI=1S/C22H24N4O/c23-21
    (24)17-6-7-19-18(13-17)14
    -20(25-19)22(27)26-10-8-1
    6(9-11-26)12-15-4-2-1-3-5
    -15/h1-7,13-14,16,25H,8-1
    2H2,(H3,23,24);
    UBTZELOICBXALH-UHFFFAOYSA-N    		 c1ccc(cc1)CC2CCN(CC2)C(=O)c3cc4cc(ccc4[n
    H]3)C(=N)N; [H]/N=C(\c1ccc2c(c1)cc([nH]2
    )C(=O)N3CCC(CC3)Cc4ccccc4)/N; O=C(c1cc2c
    c(ccc2[NH]1)C(=N)N)N1CCC(Cc2ccccc2)CC1;
    NC(=N)c1ccc2[nH]c(cc2c1)C(=O)N3CCC(CC3)C
    c4ccccc4    		 2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide;
    5-amidinoindole-4-benzylpiperidin
    15192
    BPQ
    DB07481
    ZINC000039046718    		 1 C12 H17 N5 O3 InChI=1S/C12H17N5O3/c1-12
    (2,3)20-11(19)15-5-6-4-14
    -8-7(6)9(18)17-10(13)16-8
    /h4H,5H2,1-3H3,(H,15,19)(
    H4,13,14,16,17,18);
    RXVQMCMIOHBKNE-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)NCc1c[nH]c2c1C(=O)NC(=N2)N
    ; O=C(OC(C)(C)C)NCc1cnc2N=C(NC(=O)c12)N;
    CC(C)(C)OC(=O)NCc1c[nH]c2N=C(N)NC(=O)c1
    2    		 tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate
    15193
    BPR
    CHEMBL63895
    DB07482
    ZINC000169748497    		 4 C9 H17 B N2 O3 InChI=1S/C9H17BN2O3/c13-9
    (7-3-1-5-11-7)12-6-2-4-8(
    12)10(14)15/h7-8,11,14-15
    H,1-6H2/t7-,8-/m0/s1;
    XSBZZZGVAIXJLD-YUMQZZPRSA-N    		 OB(O)[CH]1CCCN1C(=O)[CH]2CCCN2; O=C(N1C(
    B(O)O)CCC1)C2NCCC2; B(C1CCCN1C(=O)C2CCCN
    2)(O)O; B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)
    (O)O; OB(O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2    		 (2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE
    15194
    BPS
    DB07483    		 2 C12 H10 O2 S InChI=1S/C12H10O2S/c13-15
    (14)12-9-5-4-8-11(12)10-6
    -2-1-3-7-10/h1-9H,(H,13,1
    4);
    LZCLZDCSBDVAOV-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccccc2S(=O)O; O=S(O)c2ccccc2
    c1ccccc1; O[S@@](=O)c1ccccc1c2ccccc2; c1
    ccc(cc1)c2ccccc2[S@](=O)O; O[S](=O)c1ccc
    cc1c2ccccc2    		 1,1'-BIPHENYL-2-SULFINIC ACID;
    BIPHENYL-2-SULFINIC ACID
    15195
    BPT    		 0 C4 H24 Cl2 N6 Pt2 InChI=1S/C4H12N2.2ClH.4H3
    N.2Pt/c5-3-1-2-4-6;;;;;;;
    ;/h1-6H2;2*1H;4*1H3;;/q;;
    ;;;;;2*+1/p-2;
    IVVNZXXPAYQGSH-UHFFFAOYSA-L    		 N.N.N.N.NCCCCN.Cl[Pt].Cl[Pt]; C(CC[NH2][
    Pt]([NH3])([NH3])Cl)C[NH2][Pt]([NH3])([N
    H3])Cl    		 BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX;
    1,1/T,T
    15196
    BPU
    CHEMBL1231450
    ZINC000008610413    		 2 C11 H7 Br N2 O InChI=1S/C11H7BrN2O/c12-7
    -3-4-9-8(6-7)13-11(15)10-
    2-1-5-14(9)10/h1-6H,(H,13
    ,15);
    RNCKOJOKKQPZIB-UHFFFAOYSA-N    		 Brc1ccc2n3cccc3C(=O)Nc2c1; Brc1cc2c(cc1)
    n3c(C(=O)N2)ccc3; c1cc2n(c1)-c3ccc(cc3NC
    2=O)Br    		 7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one
    15197
    BPV
    CHEMBL177837
    DB17135
    ZINC000001718542    		 5 C3 H3 Br O3 InChI=1S/C3H3BrO3/c4-1-2(
    5)3(6)7/h1H2,(H,6,7);
    PRRZDZJYSJLDBS-UHFFFAOYSA-N    		 C(C(=O)C(=O)O)Br; BrCC(=O)C(=O)O; OC(=O)
    C(=O)CBr    		 Bromopyruvate;
    Bromopyruvic acid;
    3-bromo-2-oxopropanoic acid
    15198
    BPW
    ZINC000006658015    		 2 C9 H12 Cl N InChI=1S/C9H12ClN/c10-9-5
    -3-8(4-6-9)2-1-7-11/h3-6H
    ,1-2,7,11H2;
    RVLNDSYSQLMPRC-UHFFFAOYSA-N    		 c1cc(ccc1CCCN)Cl; NCCCc1ccc(Cl)cc1 3-(4-chlorophenyl)propan-1-amine
    15199
    BPX
    DB07484
    ZINC000039258292    		 3 C12 H15 N O6 InChI=1S/C12H15NO6/c14-11
    (15)10(6-9-4-2-1-3-5-9)7-
    12(16,17)8-13(18)19/h1-5,
    10,16-17H,6-8H2,(H,14,15)
    /t10-/m1/s1;
    CGGNZMVODZPHHK-SNVBAGLBSA-N    		 OC(=O)[CH](Cc1ccccc1)CC(O)(O)C[N+]([O-])
    =O; [O-][N+](=O)CC(O)(O)CC(C(=O)O)Cc1ccc
    cc1; OC(=O)[C@H](Cc1ccccc1)CC(O)(O)C[N+]
    ([O-])=O; c1ccc(cc1)CC(CC(C[N+](=O)[O-])
    (O)O)C(=O)O; c1ccc(cc1)C[C@H](CC(C[N+](=
    O)[O-])(O)O)C(=O)O    		 (2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid
    15200
    BPY
    DB02923
    ZINC000000901387    		 14 C12 H10 O2 InChI=1S/C12H10O2/c13-11-
    8-4-7-10(12(11)14)9-5-2-1
    -3-6-9/h1-8,13-14H;
    YKOQAAJBYBTSBS-UHFFFAOYSA-N    		 Oc1cccc(c2ccccc2)c1O; c1ccc(cc1)c2cccc(c
    2O)O; Oc2c(c1ccccc1)cccc2O    		 BIPHENYL-2,3-DIOL
    Reference:
    • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
    • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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