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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
    15201
    BPZ
    CHEMBL1231453
    DB07485
    ZINC000000225610    		 1 C18 H20 O2 InChI=1S/C18H20O2/c19-16-
    8-4-14(5-9-16)18(12-2-1-3
    -13-18)15-6-10-17(20)11-7
    -15/h4-11,19-20H,1-3,12-1
    3H2;
    SDDLEVPIDBLVHC-UHFFFAOYSA-N    		 c1cc(ccc1C2(CCCCC2)c3ccc(cc3)O)O; Oc1ccc
    (cc1)C3(c2ccc(O)cc2)CCCCC3; Oc1ccc(cc1)C
    2(CCCCC2)c3ccc(O)cc3    		 4,4'-cyclohexane-1,1-diyldiphenol;
    4,4-Cyclohexylidenebisphenol, bisphenol Z
    15202
    BQ0
    CHEMBL4587000    		 1 C31 H39 N7 O2 InChI=1S/C31H39N7O2/c1-20
    -10-12-25(21(2)18-20)38-2
    9(32-28(33-38)31(40)36-16
    -14-34(4)15-17-36)23-11-1
    3-26-27(19-23)37(24-8-6-7
    -9-24)22(3)30(39)35(26)5/
    h10-13,18-19,22,24H,6-9,1
    4-17H2,1-5H3/t22-/m1/s1;
    XLDSWHQAEWXEHF-JOCHJYFZSA-N    		 Cc1ccc(c(c1)C)n2c(nc(n2)C(=O)N3CCN(CC3)C
    )c4ccc5c(c4)N(C(C(=O)N5C)C)C6CCCC6; CC6N
    (C1CCCC1)c5cc(c3nc(C(=O)N2CCN(CC2)C)nn3c
    4c(C)cc(cc4)C)ccc5N(C6=O)C; Cc1ccc(c(c1)
    C)n2c(nc(n2)C(=O)N3CCN(CC3)C)c4ccc5c(c4)
    N([C@@H](C(=O)N5C)C)C6CCCC6; C[C@H]1N(C2
    CCCC2)c3cc(ccc3N(C)C1=O)c4nc(nn4c5ccc(C)
    cc5C)C(=O)N6CCN(C)CC6; C[CH]1N(C2CCCC2)c
    3cc(ccc3N(C)C1=O)c4nc(nn4c5ccc(C)cc5C)C(
    =O)N6CCN(C)CC6    		 (3R)-4-cyclopentyl-6-[1-(2,4-dimethylphenyl)-3-(4-methylpiperazine-1-carbonyl)-1H-1,2,4-triazol-5-yl]-1,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one
    15203
    BQ1
    CHEMBL376488
    DB08903
    ZINC000004655029    		 69 C32 H31 Br N2 O2 InChI=1S/C32H31BrN2O2/c1-
    35(2)19-18-32(36,28-15-9-
    13-22-10-7-8-14-26(22)28)
    30(23-11-5-4-6-12-23)27-2
    1-24-20-25(33)16-17-29(24
    )34-31(27)37-3/h4-17,20-2
    1,30,36H,18-19H2,1-3H3/t3
    0-,32-/m1/s1;
    QUIJNHUBAXPXFS-XLJNKUFUSA-N    		 CN(C)CC[C@@](c1cccc2c1cccc2)([C@H](c3ccc
    cc3)c4cc5cc(ccc5nc4OC)Br)O; COc1nc2ccc(B
    r)cc2cc1[C@@H](c3ccccc3)[C@@](O)(CCN(C)C
    )c4cccc5ccccc45; COc1nc2ccc(Br)cc2cc1[CH
    ](c3ccccc3)[C](O)(CCN(C)C)c4cccc5ccccc45
    ; Brc1ccc2nc(OC)c(cc2c1)C(c3ccccc3)C(O)(
    c5c4ccccc4ccc5)CCN(C)C; CN(C)CCC(c1cccc2
    c1cccc2)(C(c3ccccc3)c4cc5cc(ccc5nc4OC)Br
    )O    		 Bedaquiline
    15204
    BQ2
    ZINC000011638836    		 1 C11 H13 N O2 InChI=1S/C11H13NO2/c13-8-
    11(14)12-6-5-9-3-1-2-4-10
    (9)7-12/h1-4,13H,5-8H2;
    GAWPDYDIDUAIGZ-UHFFFAOYSA-N    		 c1ccc2c(c1)CCN(C2)C(=O)CO; OCC(=O)N1CCc2
    ccccc2C1    		 1-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-ethanone
    15205
    BQ3
    CHEMBL4522789
    ZINC000012957716    		 2 C14 H20 N2 O2 InChI=1S/C14H20N2O2/c1-14
    (2,3)18-13(17)16-7-6-10-4
    -5-12(15)8-11(10)9-16/h4-
    5,8H,6-7,9,15H2,1-3H3;
    AGRBXKCSGCUXST-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)N; CC(C)(C
    )OC(=O)N1CCc2ccc(N)cc2C1; C(OC(=O)N1Cc2c
    (CC1)ccc(N)c2)(C)(C)C    		 tert-butyl 7-amino-3,4-dihydroisoquinoline-2(1H)-carboxylate
    15206
    BQ4
    ZINC000379702115    		 1 C10 H8 O5 InChI=1S/C10H8O5/c11-7-3-
    1-2-6(4-7)8(12)5-9(13)10(
    14)15/h1-5,11,13H,(H,14,1
    5)/b9-5-;
    WWHSBYDKAHIVPP-UITAMQMPSA-N    		 c1cc(cc(c1)O)C(=O)C=C(C(=O)O)O; OC(=O)C(
    O)=CC(=O)c1cccc(O)c1; c1cc(cc(c1)O)C(=O)
    /C=C(/C(=O)O)\O; c1ccc(O)cc1C([C@H]=C(C(
    O)=O)O)=O; OC(=O)\C(O)=C\C(=O)c1cccc(O)c
    1    		 (2Z)-2-hydroxy-4-(3-hydroxyphenyl)-4-oxobut-2-enoic acid;
    3-hydroxy-phenyldiketoacid
    15207
    BQ5
    ZINC000036379534    		 1 C13 H15 N3 InChI=1S/C13H15N3/c14-9-1
    2-11-7-4-8-13(11)16(15-12
    )10-5-2-1-3-6-10/h1-3,5-6
    H,4,7-9,14H2;
    AITOIMRCVCWDAG-UHFFFAOYSA-N    		 c1ccc(cc1)n2c3c(c(n2)CN)CCC3; NCc1nn(c2c
    cccc2)c3CCCc13    		 (1-phenyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)methanamine
    15208
    BQ6    		 2 C21 H23 F N4 O4 S InChI=1S/C21H23FN4O4S/c1-
    12-4-14-5-15(8-30-18(14)7
    -17(12)22)25-31(28,29)19-
    6-16(13(2)24-19)20(27)26-
    10-21(3,9-23)11-26/h4,6-7
    ,15,24-25H,5,8,10-11H2,1-
    3H3/t15-/m0/s1;
    PKIDWDVQYYRRMY-HNNXBMFYSA-N    		 Cc1cc2c(cc1F)OC[C@H](C2)NS(=O)(=O)c3cc(c
    ([nH]3)C)C(=O)N4CC(C4)(C)C#N; Cc1[nH]c(c
    c1C(=O)N2CC(C)(C2)C#N)[S](=O)(=O)N[C@@H]
    3COc4cc(F)c(C)cc4C3; N#CC1(C)CN(C1)C(=O)
    c1cc([NH]c1C)S(=O)(=O)NC1Cc2cc(C)c(F)cc2
    OC1; Cc1cc2c(cc1F)OCC(C2)NS(=O)(=O)c3cc(
    c([nH]3)C)C(=O)N4CC(C4)(C)C#N; Cc1[nH]c(
    cc1C(=O)N2CC(C)(C2)C#N)[S](=O)(=O)N[CH]3
    COc4cc(F)c(C)cc4C3    		 4-(3-cyano-3-methylazetidine-1-carbonyl)-N-[(3S)-7-fluoro-6-methyl-3,4-dihydro-2H-1-benzopyran-3-yl]-5-methyl-1H-pyrrole-2-sulfonamide
    15209
    BQ7
    ZINC000005175274    		 16 C9 H9 F2 N O2 InChI=1S/C9H9F2NO2/c10-9(
    11,8(13)14)7(12)6-4-2-1-3
    -5-6/h1-5,7H,12H2,(H,13,1
    4)/t7-/m0/s1;
    RNXZEHZGLUONSK-ZETCQYMHSA-N    		 N[C@@H](c1ccccc1)C(F)(F)C(O)=O; O=C(O)C(
    F)(F)C(N)c1ccccc1; c1ccc(cc1)C(C(C(=O)O)
    (F)F)N; c1ccc(cc1)[C@@H](C(C(=O)O)(F)F)N
    ; N[CH](c1ccccc1)C(F)(F)C(O)=O    		 (3S)-3-amino-2,2-difluoro-3-phenylpropanoic acid
    15210
    BQ8    		 2 C15 H17 N5 O4 S InChI=1S/C15H17N5O4S/c1-6
    (18-14(16)17)13(24)20-15-
    19-11(7(2)21)12(25-15)8-3
    -9(22)5-10(23)4-8/h3-6,22
    -23H,1-2H3,(H4,16,17,18)(
    H,19,20,24)/t6-/m1/s1;
    UGPBIUVAGLINNK-ZCFIWIBFSA-N    		 CC(C(=O)Nc1nc(c(s1)c2cc(cc(c2)O)O)C(=O)C
    )NC(=N)N; C[C@@H](NC(N)=N)C(=O)Nc1sc(c2c
    c(O)cc(O)c2)c(n1)C(C)=O; [H]/N=C(/N)\N[C
    @H](C)C(=O)Nc1nc(c(s1)c2cc(cc(c2)O)O)C(=
    O)C; C[CH](NC(N)=N)C(=O)Nc1sc(c2cc(O)cc(
    O)c2)c(n1)C(C)=O    		 (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide
    15211
    BQ9    		 1 C29 H50 O5 InChI=1S/C29H50O5/c1-3-5-
    7-9-11-13-14-16-18-20-22-
    24-29(32)34-27(25-30)26-3
    3-28(31)23-21-19-17-15-12
    -10-8-6-4-2/h5,7,11,13,16
    ,18,27,30H,3-4,6,8-10,12,
    14-15,17,19-26H2,1-2H3/b7
    -5+,13-11+,18-16+/t27-/m1
    /s1;
    VISPTZOKUBCLGQ-AUBZEWDZSA-N    		 CCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCC=CCC=CC
    C=CCC; CCCCCCCCCCCC(=O)OC[CH](CO)OC(=O)C
    CCC=CCC=CCC=CCC; CCCCCCCCCCCC(=O)OC[C@@H
    ](CO)OC(=O)CCC\C=C\C\C=C\C/C=C/CC; CCCCC
    CCCCCCC(=O)OC[C@@H](CO)OC(=O)CCC/C=C/C/C
    =C/C/C=C/CC; C(=O)(CCC\C=C\CC=[C@H]C[C@H
    ]=CCC)OC(CO)COC(CCCCCCCCCCC)=O    		 (2R)-1-(dodecanoyloxy)-3-hydroxypropan-2-yl (5E,8E,11E)-tetradeca-5,8,11-trienoate
    15212
    BQA    		 2 C26 H28 Br F3 N2 O3 InChI=1S/C26H28BrF3N2O3/c
    27-20-9-7-19(8-10-20)25(2
    4(35)31-22(23(33)34)15-17
    -5-6-17)11-13-32(14-12-25
    )16-18-3-1-2-4-21(18)26(2
    8,29)30/h1-4,7-10,17,22H,
    5-6,11-16H2,(H,31,35)(H,3
    3,34)/t22-/m0/s1;
    XTCYTRMSAWHHGP-QFIPXVFZSA-N    		 N2(Cc1c(C(F)(F)F)cccc1)CCC(CC2)(c3ccc(cc
    3)Br)C(NC(CC4CC4)C(O)=O)=O; OC(=O)[CH](C
    C1CC1)NC(=O)C2(CCN(CC2)Cc3ccccc3C(F)(F)F
    )c4ccc(Br)cc4; c1ccc(c(c1)CN2CCC(CC2)(c3
    ccc(cc3)Br)C(=O)N[C@@H](CC4CC4)C(=O)O)C(
    F)(F)F; c1ccc(c(c1)CN2CCC(CC2)(c3ccc(cc3
    )Br)C(=O)NC(CC4CC4)C(=O)O)C(F)(F)F; OC(=
    O)[C@H](CC1CC1)NC(=O)C2(CCN(CC2)Cc3ccccc
    3C(F)(F)F)c4ccc(Br)cc4    		 N-[4-(4-bromophenyl)-1-{[2-(trifluoromethyl)phenyl]methyl}piperidine-4-carbonyl]-3-cyclopropyl-L-alanine
    15213
    BQB    		 2 C13 H8 I N3 O5 InChI=1S/C13H8IN3O5/c14-1
    1-6-8(5-10(12(11)18)13(19
    )20)16-15-7-1-3-9(4-2-7)1
    7(21)22/h1-6,18H,(H,19,20
    )/b16-15+;
    GBJFASRAKIVVBQ-FOCLMDBBSA-N    		 c1cc(ccc1N=Nc2cc(c(c(c2)I)O)C(=O)O)[N+](
    =O)[O-]; c1cc(ccc1/N=N/c2cc(c(c(c2)I)O)C
    (=O)O)[N+](=O)[O-]; OC(=O)c1cc(cc(I)c1O)
    N=Nc2ccc(cc2)[N+]([O-])=O    		 5-(4-nitrophenylazo)-3-iodosalicylic acid
    15214
    BQC
    CHEMBL4520035    		 2 C21 H18 N4 O4 S InChI=1S/C21H18N4O4S/c26-
    20-16-11-25(9-8-18(16)22-
    19(23-20)13-4-2-1-3-5-13)
    21(27)14-6-7-17-15(10-14)
    12-30(28,29)24-17/h1-7,10
    ,24H,8-9,11-12H2,(H,22,23
    ,26);
    XRENRYGQQDHQAY-UHFFFAOYSA-N    		 c1ccc(cc1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)c
    4ccc5c(c4)CS(=O)(=O)N5; S2(=O)(Nc1ccc(cc
    1C2)C(=O)N3CCC4=C(C3)C(=O)N=C(N4)c5ccccc
    5)=O; O=C1N=C(NC2=C1CN(CC2)C(=O)c3ccc4N[
    S](=O)(=O)Cc4c3)c5ccccc5    		 5-(4-oxo-2-phenyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6(4H)-carbonyl)-1,3-dihydro-2H-2lambda~6~,1-benzothiazole-2,2-dione
    15215
    BQD    		 0 C18 H19 Br N2 O3 InChI=1S/C18H19BrN2O3/c1-
    2-16(23)21-8-7-15(22)17(2
    1)18(24)20-14-6-4-11-9-13
    (19)5-3-12(11)10-14/h3-6,
    9-10,15,17,22H,2,7-8H2,1H
    3,(H,20,24)/t15-,17+/m1/s
    1;
    MFZHXIHGHGFXNJ-WBVHZDCISA-N    		 CCC(=O)N1CCC(C1C(=O)Nc2ccc3cc(ccc3c2)Br)
    O; CCC(=O)N1CC[C@@H](O)[C@H]1C(=O)Nc2ccc
    3cc(Br)ccc3c2; CCC(=O)N1CC[C@H]([C@H]1C(
    =O)Nc2ccc3cc(ccc3c2)Br)O; CCC(=O)N1CC[CH
    ](O)[CH]1C(=O)Nc2ccc3cc(Br)ccc3c2; C3C(C
    (C(=O)Nc2cc1ccc(cc1cc2)Br)N(C(CC)=O)C3)O    		 (3R)-N-(6-bromonaphthalen-2-yl)-3-hydroxy-1-propanoyl-L-prolinamide
    15216
    BQE
    CHEMBL4636300    		 1 C23 H30 F2 N6 O2 S InChI=1S/C23H30F2N6O2S/c1
    -14(32)19-20(16-10-17(26)
    12-28-11-16)34-22(29-19)3
    0-21(33)18-13-27-7-9-31(1
    8)8-4-15-2-5-23(24,25)6-3
    -15/h10-12,15,18,27H,2-9,
    13,26H2,1H3,(H,29,30,33)/
    t18-/m1/s1;
    OVBCFTIQGNIZAI-GOSISDBHSA-N    		 CC(=O)C1=C(SC(N1)=NC(=O)[C@H]2CNCCN2CCC3
    CCC(F)(F)CC3)c4cncc(N)c4; CC(=O)C1=C(SC(
    =NC(=O)C2CNCCN2CCC3CCC(CC3)(F)F)N1)c4cc(
    cnc4)N; CC(=O)C1=C(SC(N1)=NC(=O)[CH]2CNC
    CN2CCC3CCC(F)(F)CC3)c4cncc(N)c4; CC(=O)C
    1=C(S/C(=N\C(=O)[C@H]2CNCCN2CCC3CCC(CC3)
    (F)F)/N1)c4cc(cnc4)N    		 (~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide
    15217
    BQF
    CHEMBL4474283    		 4 C20 H15 N O5 InChI=1S/C20H15NO5/c22-18
    (12-5-7-13(8-6-12)19(23)2
    4)21-10-9-14-15-3-1-2-4-1
    7(15)26-20(25)16(14)11-21
    /h1-8H,9-11H2,(H,23,24);
    OXUKTNZACAKVRG-UHFFFAOYSA-N    		 OC(=O)c1ccc(cc1)C(=O)N2CCC3=C(C2)C(=O)Oc
    4ccccc34; c1ccc2c(c1)C3=C(CN(CC3)C(=O)c4
    ccc(cc4)C(=O)O)C(=O)O2; C(O)(c1ccc(cc1)C
    (=O)N4CC3=C(c2c(cccc2)OC3=O)CC4)=O    		 4-(5-oxo-1,5-dihydro-2H-[1]benzopyrano[3,4-c]pyridine-3(4H)-carbonyl)benzoic acid
    15218
    BQG    		 2 C63 H80 N11 O10 P S InChI=1S/C63H80N11O10PS/c
    64-62(65)67-36-20-34-57(8
    5(81,83-46-25-10-3-11-26-
    46)84-47-27-12-4-13-28-47
    )73-60(78)51(38-45-39-68-
    49-30-16-15-29-48(45)49)7
    0-61(79)52(41-82-40-44-23
    -8-2-9-24-44)71-59(77)50(
    37-43-21-6-1-7-22-43)69-5
    6(76)33-14-5-19-35-66-55(
    75)32-18-17-31-54-58-53(4
    2-86-54)72-63(80)74-58/h1
    -4,6-13,15-16,21-30,45,50
    -54,57-58,68H,5,14,17-20,
    31-42H2,(H,66,75)(H,69,76
    )(H,70,79)(H,71,77)(H,73,
    78)(H4,64,65,67)(H2,72,74
    ,80)/t45-,50-,51+,52+,53?
    ,54?,57-,58?/m1/s1;
    BHJHSDZSFPCDTE-HUFVZHETSA-N    		 c1ccc(cc1)CC(C(=O)NC(COCc2ccccc2)C(=O)NC
    (CC3CNc4c3cccc4)C(=O)NC(CCCNC(=N)N)P(=O)
    (Oc5ccccc5)Oc6ccccc6)NC(=O)CCCCCNC(=O)CC
    CCC7C8C(CS7)NC(=O)N8; NC(=N)NCCC[C@H](NC
    (=O)[C@H](C[C@@H]1CNc2ccccc12)NC(=O)[C@H
    ](COCc3ccccc3)NC(=O)[C@@H](Cc4ccccc4)NC(
    =O)CCCCCNC(=O)CCCCC5SCC6NC(=O)NC56)[P](=
    O)(Oc7ccccc7)Oc8ccccc8; NC(=N)NCCC[CH](N
    C(=O)[CH](C[CH]1CNc2ccccc12)NC(=O)[CH](C
    OCc3ccccc3)NC(=O)[CH](Cc4ccccc4)NC(=O)CC
    CCCNC(=O)CCCCC5SCC6NC(=O)NC56)[P](=O)(Oc
    7ccccc7)Oc8ccccc8; [H]/N=C(\N)/NCCC[C@H]
    (NC(=O)[C@H](C[C@@H]1CNc2c1cccc2)NC(=O)[
    C@H](COCc3ccccc3)NC(=O)[C@@H](Cc4ccccc4)
    NC(=O)CCCCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)
    P(=O)(Oc7ccccc7)Oc8ccccc8    		 (2~{R})-~{N}-[(2~{S})-1-[[(2~{S})-1-[[(1~{R})-4-carbamimidamido-1-diphenoxyphosphoryl-butyl]amino]-3-[(3~{S})-2,3-dihydro-1~{H}-indol-3-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-2-formamido-3-phenyl-propanamide
    15219
    BQH    		 1 C10 H14 N4 O2 S InChI=1S/C10H14N4O2S/c1-6
    (15)8-5-17-10(13-8)14-9(1
    6)7-4-11-2-3-12-7/h5,7,11
    -12H,2-4H2,1H3,(H,13,14,1
    6)/t7-/m0/s1;
    AESXBAWWRWZMPF-ZETCQYMHSA-N    		 CC(=O)c1csc(n1)NC(=O)[C@@H]2CNCCN2; CC(=
    O)c1csc(NC(=O)[C@@H]2CNCCN2)n1; CC(=O)c1
    csc(NC(=O)[CH]2CNCCN2)n1; CC(=O)c1csc(n1
    )NC(=O)C2CNCCN2    		 (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide
    15220
    BQI
    CHEMBL3609729
    ZINC000072188048    		 2 C12 H12 N6 S InChI=1S/C12H12N6S/c1-7-3
    -4-13-11(16-7)18-12-17-10
    (8(2)19-12)9-5-14-15-6-9/
    h3-6H,1-2H3,(H,14,15)(H,1
    3,16,17,18);
    MIQNXKWDQRNHAU-UHFFFAOYSA-N    		 Cc1sc(Nc2nccc(C)n2)nc1c3c[nH]nc3; Cc1ccn
    c(n1)Nc2nc(c(s2)C)c3c[nH]nc3    		 5-methyl-N-(4-methylpyrimidin-2-yl)-4-(1H-pyrazol-4-yl)-1,3-thiazol-2-amine;
    ADX88178
    15221
    BQJ    		 2 C34 H49 F3 N6 O2 S InChI=1S/C34H49F3N6O2S/c1
    -4-13-43-29-12-18-42(31(4
    4)21-25-10-16-41(17-11-25
    )32(45)24-39(2)3)23-27(29
    )33(38-43)26-8-9-28(34(35
    ,36)37)30(22-26)46-20-19-
    40-14-6-5-7-15-40/h8-9,22
    ,25H,4-7,10-21,23-24H2,1-
    3H3;
    NUSUQUBVOSMEDW-UHFFFAOYSA-N    		 CCCn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F
    )(F)F)CN(CC2)C(=O)CC5CCN(CC5)C(=O)CN(C)C
    ; CCCn1nc(c2ccc(c(SCCN3CCCCC3)c2)C(F)(F)
    F)c4CN(CCc14)C(=O)CC5CCN(CC5)C(=O)CN(C)C
    ; N1(CCCCC1)CCSc5c(ccc(c2nn(CCC)c4c2CN(C
    (CC3CCN(C(CN(C)C)=O)CC3)=O)CC4)c5)C(F)(F
    )F    		 2-(dimethylamino)-1-[4-(2-oxo-2-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethyl)piperidin-1-yl]ethan-1-one
    15222
    BQK    		 1 C16 H18 N4 O4 S InChI=1S/C16H18N4O4S/c1-8
    (21)13-14(9-4-10(22)6-11(
    23)5-9)25-16(19-13)20-15(
    24)12-7-17-2-3-18-12/h4-6
    ,12,17-18,22-23H,2-3,7H2,
    1H3,(H,19,20,24)/t12-/m1/
    s1;
    XEVZKKXMSLWLTA-GFCCVEGCSA-N    		 CC(=O)c1c(sc(n1)NC(=O)[C@H]2CNCCN2)c3cc(
    cc(c3)O)O; CC(=O)c1nc(NC(=O)[CH]2CNCCN2)
    sc1c3cc(O)cc(O)c3; CC(=O)c1c(sc(n1)NC(=O
    )C2CNCCN2)c3cc(cc(c3)O)O; CC(=O)c1nc(NC(
    =O)[C@H]2CNCCN2)sc1c3cc(O)cc(O)c3    		 (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
    15223
    BQL    		 0 C12 H18 N3 O10 P InChI=1S/C12H18N3O10P/c13
    -6(3-16)4-23-26(21,22)24-
    5-7-9(18)10(19)11(25-7)15
    -2-1-8(17)14-12(15)20/h1-
    3,6-7,9-11,18-19H,4-5,13H
    2,(H,21,22)(H,14,17,20)/t
    6-,7-,9-,10-,11-/m1/s1;
    DGKQNNIXYUXPCL-JBSYKWBFSA-N    		 N[C@@H](CO[P](O)(=O)OC[C@H]1O[C@H]([C@H]
    (O)[C@@H]1O)N2C=CC(=O)NC2=O)C=O; N[CH](C
    O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2
    C=CC(=O)NC2=O)C=O; C1=CN(C(=O)NC1=O)C2C(
    C(C(O2)COP(=O)(O)OCC(C=O)N)O)O; C1=CN(C(
    =O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO
    P(=O)(O)OC[C@@H](C=O)N)O)O    		 [(2~{S})-2-azanyl-3-oxidanylidene-propyl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
    15224
    BQM
    CHEMBL478464
    DB07486
    ZINC000034637608    		 2 C21 H18 F6 N2 O2 S InChI=1S/C21H18F6N2O2S/c2
    2-20(23,24)18-13(5-7-17(3
    0)29-8-10-31-11-9-29)4-6-
    16(19(18)21(25,26)27)32-1
    5-3-1-2-14(28)12-15/h1-7,
    12H,8-11,28H2/b7-5+;
    KLSZVPNVFKKIRD-FNORWQNLSA-N    		 c1cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)
    C=CC(=O)N3CCOCC3)N; Nc1cccc(Sc2ccc(C=CC(
    =O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1; O=
    C(\C=C\c2ccc(Sc1cc(N)ccc1)c(c2C(F)(F)F)C
    (F)(F)F)N3CCOCC3; Nc1cccc(Sc2ccc(\C=C\C(
    =O)N3CCOCC3)c(c2C(F)(F)F)C(F)(F)F)c1; c1
    cc(cc(c1)Sc2ccc(c(c2C(F)(F)F)C(F)(F)F)\C
    =C\C(=O)N3CCOCC3)N    		 3-({4-[(1E)-3-morpholin-4-yl-3-oxoprop-1-en-1-yl]-2,3-bis(trifluoromethyl)phenyl}sulfanyl)aniline
    15225
    BQN
    CHEMBL487705
    ZINC000039046720    		 2 C27 H22 F6 N2 O3 S InChI=1S/C27H22F6N2O3S/c2
    8-26(29,30)24-19(8-10-23(
    36)35-12-14-37-15-13-35)7
    -9-22(25(24)27(31,32)33)3
    9-21-6-2-1-5-20(21)38-17-
    18-4-3-11-34-16-18/h1-11,
    16H,12-15,17H2/b10-8+;
    ZRIKDHLPCRURPX-CSKARUKUSA-N    		 FC(F)(F)c1c(Sc2ccccc2OCc3cccnc3)ccc(C=CC
    (=O)N4CCOCC4)c1C(F)(F)F; c1ccc(c(c1)OCc2
    cccnc2)Sc3ccc(c(c3C(F)(F)F)C(F)(F)F)C=CC
    (=O)N4CCOCC4; FC(F)(F)c1c(Sc2ccccc2OCc3c
    ccnc3)ccc(\C=C\C(=O)N4CCOCC4)c1C(F)(F)F;
    c1ccc(c(c1)OCc2cccnc2)Sc3ccc(c(c3C(F)(F
    )F)C(F)(F)F)\C=C\C(=O)N4CCOCC4; O=C(\C=C
    \c3ccc(Sc2ccccc2OCc1cccnc1)c(c3C(F)(F)F)
    C(F)(F)F)N4CCOCC4    		 4-{(2E)-3-[4-{[2-(pyridin-3-ylmethoxy)phenyl]sulfanyl}-2,3-bis(trifluoromethyl)phenyl]prop-2-enoyl}morpholine
    15226
    BQO    		 0 C13 H20 N3 O10 P InChI=1S/C13H20N3O10P/c1-
    6(7(14)4-17)26-27(22,23)2
    4-5-8-10(19)11(20)12(25-8
    )16-3-2-9(18)15-13(16)21/
    h2-4,6-8,10-12,19-20H,5,1
    4H2,1H3,(H,22,23)(H,15,18
    ,21)/t6-,7-,8-,10-,11-,12
    -/m1/s1;
    MTUPUTQZEYXVLI-ZXIMEAKPSA-N    		 C[C@H]([C@@H](C=O)N)OP(=O)(O)OC[C@@H]1[C
    @H]([C@H]([C@@H](O1)N2C=CC(=O)NC2=O)O)O;
    C[CH](O[P](O)(=O)OC[CH]1O[CH]([CH](O)[C
    H]1O)N2C=CC(=O)NC2=O)[CH](N)C=O; C[C@@H]
    (O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H
    ]1O)N2C=CC(=O)NC2=O)[C@H](N)C=O; CC(C(C=
    O)N)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=O)NC2=
    O)O)O    		 [(2~{R},3~{S})-3-azanyl-4-oxidanylidene-butan-2-yl] [(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
    15227
    BQP    		 2 C37 H53 F4 N5 O2 S InChI=1S/C37H53F4N5O2S/c3
    8-30-11-17-43(18-12-30)20
    -22-49-34-24-29(7-8-32(34
    )37(39,40)41)36-31-26-45(
    19-13-33(31)46(42-36)14-4
    -21-47)35(48)23-27-9-15-4
    4(16-10-27)25-28-5-2-1-3-
    6-28/h7-8,24,27-28,30,47H
    ,1-6,9-23,25-26H2;
    HHMNMVKIYRQSRB-UHFFFAOYSA-N    		 N1(CCC(F)CC1)CCSc2c(C(F)(F)F)ccc(c2)c6c3
    c(CCN(C3)C(=O)CC4CCN(CC4)CC5CCCCC5)n(CCC
    O)n6; c1cc(c(cc1c2c3c(n(n2)CCCO)CCN(C3)C
    (=O)CC4CCN(CC4)CC5CCCCC5)SCCN6CCC(CC6)F)
    C(F)(F)F; OCCCn1nc(c2ccc(c(SCCN3CCC(F)CC
    3)c2)C(F)(F)F)c4CN(CCc14)C(=O)CC5CCN(CC5
    )CC6CCCCC6    		 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(4-fluoropiperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-(3-hydroxypropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
    15228
    BQQ    		 1 C15 H18 N6 O2 S InChI=1S/C15H18N6O2S/c1-8
    (22)12-13(9-4-10(16)6-18-
    5-9)24-15(20-12)21-14(23)
    11-7-17-2-3-19-11/h4-6,11
    ,17,19H,2-3,7,16H2,1H3,(H
    ,20,21,23)/t11-/m0/s1;
    CTUFUQNJXFRTNL-NSHDSACASA-N    		 CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cncc(N
    )c3; CC(=O)c1nc(NC(=O)[C@@H]2CNCCN2)sc1c
    3cncc(N)c3; CC(=O)c1c(sc(n1)NC(=O)[C@@H]
    2CNCCN2)c3cc(cnc3)N; CC(=O)c1c(sc(n1)NC(
    =O)C2CNCCN2)c3cc(cnc3)N    		 (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide
    15229
    BQR
    CHEMBL4129665
    ZINC000263620725    		 1 C19 H20 N4 O3 InChI=1S/C19H20N4O3/c1-20
    -19(24)11-22-18-10-21-14-
    6-4-12(8-15(14)23-18)13-5
    -7-16(25-2)17(9-13)26-3/h
    4-10H,11H2,1-3H3,(H,20,24
    )(H,22,23);
    LYPCULYCGFOIDA-UHFFFAOYSA-N    		 CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)O
    C; N(c3nc2cc(c1cc(c(OC)cc1)OC)ccc2nc3)CC
    (=O)NC; CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(O
    C)c(OC)c3    		 N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide
    15230
    BQS    		 2 C37 H54 F3 N5 O S InChI=1S/C37H54F3N5OS/c1-
    2-16-45-33-15-21-44(35(46
    )24-28-13-19-43(20-14-28)
    26-29-9-5-3-6-10-29)27-31
    (33)36(41-45)30-11-12-32(
    37(38,39)40)34(25-30)47-2
    3-22-42-17-7-4-8-18-42/h1
    1-12,25,28-29H,2-10,13-24
    ,26-27H2,1H3;
    QKTCJJYONPZDQD-UHFFFAOYSA-N    		 CCCn1nc(c2ccc(c(SCCN3CCCCC3)c2)C(F)(F)F)
    c4CN(CCc14)C(=O)CC5CCN(CC5)CC6CCCCC6; CC
    Cn1c2c(c(n1)c3ccc(c(c3)SCCN4CCCCC4)C(F)(
    F)F)CN(CC2)C(=O)CC5CCN(CC5)CC6CCCCC6; C1
    CCCCN1CCSc2cc(ccc2C(F)(F)F)c3c4c(n(CCC)n
    3)CCN(C4)C(=O)CC5CCN(CC5)CC6CCCCC6    		 2-[1-(cyclohexylmethyl)piperidin-4-yl]-1-{3-[3-{[2-(piperidin-1-yl)ethyl]sulfanyl}-4-(trifluoromethyl)phenyl]-1-propyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
    15231
    BQT
    CHEMBL4636323    		 1 C10 H13 N3 O2 S InChI=1S/C10H13N3O2S/c1-5
    (11)9(15)13-10-12-8-6(14)
    3-2-4-7(8)16-10/h5H,2-4,1
    1H2,1H3,(H,12,13,15)/t5-/
    m1/s1;
    IOUBCOWUBQDGKF-RXMQYKEDSA-N    		 C[CH](N)C(=O)Nc1sc2CCCC(=O)c2n1; C[C@@H]
    (N)C(=O)Nc1sc2CCCC(=O)c2n1; CC(C(=O)Nc1n
    c2c(s1)CCCC2=O)N; C[C@H](C(=O)Nc1nc2c(s1
    )CCCC2=O)N    		 (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide
    15232
    BQU    		 1 C19 H18 N2 O3 S InChI=1S/C19H18N2O3S/c20-
    16-8-6-14(10-13(16)7-9-19
    (22)23)17-12-25-18(21-17)
    11-24-15-4-2-1-3-5-15/h1-
    6,8,10,12H,7,9,11,20H2,(H
    ,22,23);
    RXPAQUQGUPYCSG-UHFFFAOYSA-N    		 c1ccc(cc1)OCc2nc(cs2)c3ccc(c(c3)CCC(=O)O
    )N; Nc1ccc(cc1CCC(O)=O)c2csc(COc3ccccc3)
    n2    		 3-[2-azanyl-5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]propanoic acid
    15233
    BQV    		 2 C13 H13 N O3 S3 InChI=1S/C13H13NO3S3/c1-2
    0(16,17)14-13(15)11-5-2-4
    -10(8-11)9-19-12-6-3-7-18
    -12/h2-8H,9H2,1H3,(H,14,1
    5);
    VUNXNZBHBBHTIB-UHFFFAOYSA-N    		 c1c(scc1)SCc2cccc(C(NS(C)(=O)=O)=O)c2; C
    S(=O)(=O)NC(=O)c1cccc(c1)CSc2cccs2; C[S]
    (=O)(=O)NC(=O)c1cccc(CSc2sccc2)c1    		 N-(methylsulfonyl)-3-{[(thiophen-2-yl)sulfanyl]methyl}benzamide
    15234
    BQW    		 2 C9 H17 N5 O2 S InChI=1S/C9H17N5O2S/c1-4(
    12-8(10)11)7(16)14-9-13-6
    (3-17-9)5(2)15/h4,6,9,13H
    ,3H2,1-2H3,(H,14,16)(H4,1
    0,11,12)/t4-,6?,9?/m1/s1;
    LAWADVQORXPDOH-VKJXWFFISA-N    		 CC(C(=O)NC1NC(CS1)C(=O)C)NC(=N)N; C[CH](
    NC(N)=N)C(=O)N[CH]1N[CH](CS1)C(C)=O; [H]
    /N=C(/N)\N[C@H](C)C(=O)NC1NC(CS1)C(=O)C;
    C[C@@H](NC(N)=N)C(=O)N[C@@H]1N[C@@H](CS
    1)C(C)=O    		 (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide
    15235
    BQX    		 1 C19 H30 N10 O4 S2 InChI=1S/C19H30N10O4S2/c2
    0-16-15-17(23-10-22-16)29
    (11-24-15)8-4-3-7-25-35(3
    2,33)28-18(30)21-6-2-1-5-
    13-14-12(9-34-13)26-19(31
    )27-14/h10-14,25H,1-9H2,(
    H2,20,22,23)(H2,21,28,30)
    (H2,26,27,31)/t12-,13-,14
    -/m0/s1;
    NMZPYNDZFONMFP-IHRRRGAJSA-N    		 c1nc(c2c(n1)n(cn2)CCCCNS(=O)(=O)NC(=O)NC
    CCCC3C4C(CS3)NC(=O)N4)N; Nc1ncnc2n(CCCCN
    [S](=O)(=O)NC(=O)NCCCC[CH]3SC[CH]4NC(=O)
    N[CH]34)cnc12; c1nc(c2c(n1)n(cn2)CCCCNS(
    =O)(=O)NC(=O)NCCCC[C@H]3C4C(CS3)NC(=O)N4
    )N; Nc1ncnc2n(CCCCN[S](=O)(=O)NC(=O)NCCC
    C[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)cnc12    		 1-[4-(6-aminopurin-9-yl)butylsulfamoyl]-3-[4-[(4~{S})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]butyl]urea
    15236
    BQY    		 2 C13 H18 O7 InChI=1S/C13H18O7/c1-18-7
    -4-2-3-5-8(7)19-13-12(17)
    11(16)10(15)9(6-14)20-13/
    h2-5,9-17H,6H2,1H3/t9-,10
    +,11+,12-,13-/m1/s1;
    WBZPEZUBVIAKKS-KSSYENDESA-N    		 COc1ccccc1OC2C(C(C(C(O2)CO)O)O)O; COc1cc
    ccc1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C
    @H]2O; COc1ccccc1O[C@H]2[C@@H]([C@H]([C@
    H]([C@H](O2)CO)O)O)O; COc1ccccc1O[CH]2O[
    CH](CO)[CH](O)[CH](O)[CH]2O; c2cc(c(OC1C
    (O)C(O)C(C(CO)O1)O)cc2)OC    		 2-methoxyphenyl beta-D-galactopyranoside;
    o-methoxyphenyl beta-galactoside;
    OMPG;
    2-methoxyphenyl beta-D-galactoside;
    2-methoxyphenyl D-galactoside;
    2-methoxyphenyl galactoside
    15237
    BQZ
    ZINC000100053716    		 6 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    2-3(14)4(15)10(21)12(22-2
    )23-11-8(19)6(17)5(16)7(1
    8)9(11)20/h2-21H,1H2/t2-,
    3+,4+,5-,6-,7+,8+,9+,10-,
    11-,12-/m1/s1;
    VCWMRQDBPZKXKG-DXNLKLAMSA-N    		 OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O)
    [C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]
    (O)[C@H]1O; C(C1C(C(C(C(O1)OC2C(C(C(C(C2
    O)O)O)O)O)O)O)O)O; C([C@@H]1[C@@H]([C@@H
    ]([C@H]([C@H](O1)OC2[C@H]([C@H](C([C@H](
    [C@@H]2O)O)O)O)O)O)O)O)O; OC[CH]1O[CH](O
    [CH]2[CH](O)[CH](O)[CH](O)[CH](O)[CH]2O)
    [CH](O)[CH](O)[CH]1O    		 galactinol
    15238
    BR    		 96 Br InChI=1S/BrH/h1H/p-1;
    CPELXLSAUQHCOX-UHFFFAOYSA-M    		 [Br-] BROMIDE ION
    15239
    BR0
    ZINC000004638876    		 1 C14 H12 N2 O6 InChI=1S/C14H12N2O6/c17-1
    3(18)8-4-5-9(16(21)22)10-
    6-2-1-3-7(6)12(14(19)20)1
    5-11(8)10/h1-2,4-7,12,15H
    ,3H2,(H,17,18)(H,19,20)/t
    6-,7+,12-/m1/s1;
    CTXNQOWRJIPUOM-KEHGIVTQSA-N    		 O=C(O)c1c3c(c([N+]([O-])=O)cc1)C2C=CCC2C
    (C(=O)O)N3; c1cc(c2c(c1C(=O)O)NC(C3C2C=C
    C3)C(=O)O)[N+](=O)[O-]; OC(=O)[C@@H]1Nc2
    c(ccc(c2[C@@H]3C=CC[C@H]13)[N+]([O-])=O)
    C(O)=O; OC(=O)[CH]1Nc2c(ccc(c2[CH]3C=CC[
    CH]13)[N+]([O-])=O)C(O)=O; c1cc(c2c(c1C(
    =O)O)N[C@H]([C@@H]3[C@H]2C=CC3)C(=O)O)[N
    +](=O)[O-]    		 (3aS,4R,9bR)-9-nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid
    15240
    BR1
    ZINC000098208705    		 2 C22 H25 Br N2 O2 InChI=1S/C22H25BrN2O2/c23
    -14-18-12-13-19(24-15-18)
    21-16-25-22(27-21)20(26)1
    1-7-2-1-4-8-17-9-5-3-6-10
    -17/h3,5-6,9-10,12-13,15-
    16,20,26H,1-2,4,7-8,11,14
    H2/t20-/m0/s1;
    LMYCIAKTMGFSLZ-FQEVSTJZSA-N    		 c1ccc(cc1)CCCCCCC(c2ncc(o2)c3ccc(cn3)CBr
    )O; BrCc1ccc(nc1)c2oc(nc2)C(O)CCCCCCc3cc
    ccc3; O[CH](CCCCCCc1ccccc1)c2oc(cn2)c3cc
    c(CBr)cn3; c1ccc(cc1)CCCCCC[C@@H](c2ncc(
    o2)c3ccc(cn3)CBr)O; O[C@@H](CCCCCCc1cccc
    c1)c2oc(cn2)c3ccc(CBr)cn3    		 (1S)-1-{5-[5-(bromomethyl)pyridin-2-yl]-1,3-oxazol-2-yl}-7-phenylheptan-1-ol;
    1-(5-(5-(bromomethyl)pyridin-2-yl)-7-phenylheptan-1-one, bound form
    15241
    BR2
    ZINC000095921305    		 2 C20 H15 F2 N5 O4 S InChI=1S/C20H15F2N5O4S/c1
    -31-20-13-9-11(10-23-18(1
    3)25-26-20)24-19(28)16-14
    (21)7-8-15(17(16)22)27-32
    (29,30)12-5-3-2-4-6-12/h2
    -11,27H,1H3,(H,24,28)/t11
    -/m0/s1;
    AJASXPMSFTXFNS-NSHDSACASA-N    		 COC1=NN=C2C1=CC(C=N2)NC(=O)c3c(ccc(c3F)N
    S(=O)(=O)c4ccccc4)F; O=S(=O)(c1ccccc1)Nc
    2ccc(F)c(c2F)C(=O)NC3C=C4C(OC)=NN=C4N=C3
    ; COC1=NN=C2N=C[CH](NC(=O)c3c(F)ccc(N[S]
    (=O)(=O)c4ccccc4)c3F)C=C12; COC1=NN=C2N=
    C[C@@H](NC(=O)c3c(F)ccc(N[S](=O)(=O)c4cc
    ccc4)c3F)C=C12    		 2,6-difluoro-N-[(5S)-3-methoxy-5H-pyrazolo[3,4-b]pyridin-5-yl]-3-[(phenylsulfonyl)amino]benzamide
    15242
    BR3
    DB07487    		 1 C11 H14 O3 P InChI=1S/C11H15O3P/c1-8-2
    -5-11-9(6-8)3-4-10(14-11)
    7-15(12)13/h2,5-6,10,15H,
    3-4,7H2,1H3,(H,12,13)/p-1
    /t10-/m0/s1;
    QTHZTDVLJRQOGF-JTQLQIEISA-M    		 Cc1ccc2c(c1)CCC(O2)CP(=O)[O-]; Cc1ccc2O[
    CH](CCc2c1)C[PH]([O-])=O; Cc1ccc2c(c1)CC
    [C@H](O2)C[P@H](=O)[O-]; Cc1ccc2O[C@@H](
    CCc2c1)C[PH]([O-])=O; [O-]P(=O)CC2Oc1ccc
    (cc1CC2)C    		 (6-METHYL-3,4-DIHYDRO-2H-CHROMEN-2-YL)METHYLPHOSPHINATE
    15243
    BR4
    DB03471
    ZINC000006579298    		 1 C25 H33 N O3 InChI=1S/C25H33NO3/c27-24
    (16-10-2-1-5-11-21-12-6-3
    -7-13-21)26-23(19-20-25(2
    8)29)18-17-22-14-8-4-9-15
    -22/h3-4,6-9,12-15,23H,1-
    2,5,10-11,16-20H2,(H,26,2
    7)(H,28,29)/t23-/m1/s1;
    SMNHQYPORNSAQH-HSZRJFAPSA-N    		 c1ccc(cc1)CCCCCCC(=O)NC(CCc2ccccc2)CCC(=
    O)O; c1ccc(cc1)CCCCCCC(=O)N[C@H](CCc2ccc
    cc2)CCC(=O)O; OC(=O)CC[C@@H](CCc1ccccc1)
    NC(=O)CCCCCCc2ccccc2; OC(=O)CC[CH](CCc1c
    cccc1)NC(=O)CCCCCCc2ccccc2; O=C(O)CCC(NC
    (=O)CCCCCCc1ccccc1)CCc2ccccc2    		 6-PHENYL-4(R)-(7-PHENYL-HEPTANOYLAMINO)-HEXANOIC ACID
    15244
    BR5    		 1 C4 H10 O3 P InChI=1S/C4H11O3P/c1-2-7-
    3-4-8(5)6/h8H,2-4H2,1H3,(
    H,5,6)/p-1;
    XCMXNBBWZYFHSD-UHFFFAOYSA-M    		 CCOCCP(=O)[O-]; [O-]P(=O)CCOCC; CCOCC[P@
    H](=O)[O-]; CCOCC[PH]([O-])=O    		 2-ETHOXYETHYLPHOSPHINATE
    15245
    BR6
    ZINC000058638380    		 1 C14 H12 Br N3 InChI=1S/C14H12BrN3/c15-1
    2-5-7-13(8-6-12)18-9-10-1
    -3-11(4-2-10)14(16)17/h1-
    9H,(H3,16,17)/b18-9+;
    JQXAHUQWUIRBGQ-GIJQJNRQSA-N    		 Brc2ccc(/N=C/c1ccc(C(=[N@H])N)cc1)cc2; c
    1cc(ccc1C=Nc2ccc(cc2)Br)C(=N)N; [H]/N=C(
    /c1ccc(cc1)/C=N/c2ccc(cc2)Br)\N; NC(=N)c
    1ccc(cc1)C=Nc2ccc(Br)cc2    		 (E)-4-((4-bromophenylimino)methyl)benzimidamide
    15246
    BR7    		 19 C12 H20 Br N InChI=1S/C12H20BrN/c1-9-3
    -10(2)5-11(13,4-9)8-12(14
    ,6-9)7-10/h3-8,14H2,1-2H3
    /t9-,10+,11+,12-;
    UKCUZUGMIJFTKF-IWDIQUIJSA-N    		 C[C]12C[C]3(C)CC(N)(C1)CC(Br)(C2)C3; BrC
    13CC2(CC(N)(CC(C1)(C)C2)C3)C; C[C@@]12C[
    C@@]3(C)CC(N)(C1)CC(Br)(C2)C3; C[C@@]12C
    [C@]3(CC(C1)(CC(C2)(C3)Br)N)C; CC12CC3(C
    C(C1)(CC(C2)(C3)Br)N)C    		 Bromomemantine
    15247
    BR8
    CHEMBL574699
    ZINC000005187769    		 15 C4 H4 N2 O3 InChI=1S/C4H4N2O3/c7-2-1-
    3(8)6-4(9)5-2/h1H2,(H2,5,
    6,7,8,9);
    HNYOPLTXPVRDBG-UHFFFAOYSA-N    		 O=C1NC(=O)NC(=O)C1; C1C(=O)NC(=O)NC1=O;
    O=C1CC(=O)NC(=O)N1    		 BARBITURIC ACID
    15248
    BR9
    CHEMBL4060760
    ZINC000018995568    		 1 C5 H6 Br N3 InChI=1S/C5H6BrN3/c6-3-1-
    4(7)5(8)9-2-3/h1-2H,7H2,(
    H2,8,9);
    YRGMYJUKFJPNPD-UHFFFAOYSA-N    		 Nc1cc(Br)cnc1N; c1c(cnc(c1N)N)Br 5-bromopyridine-2,3-diamine
    15249
    BRA
    CHEMBL336434
    ZINC000027519870    		 0 C35 H43 N7 O2 InChI=1S/C35H43N7O2/c1-40
    (2)28-11-7-25(8-12-28)38-
    35-29-13-9-26(36-33(43)15
    -21-41-17-3-4-18-41)23-31
    (29)39-32-24-27(10-14-30(
    32)35)37-34(44)16-22-42-1
    9-5-6-20-42/h7-14,23-24H,
    3-6,15-22H2,1-2H3,(H,36,4
    3)(H,37,44)(H,38,39);
    RKPYSYRMIXRZJT-UHFFFAOYSA-N    		 O=C(Nc5cc4nc2cc(NC(=O)CCN1CCCC1)ccc2c(Nc
    3ccc(N(C)C)cc3)c4cc5)CCN6CCCC6; CN(C)c1c
    cc(cc1)Nc2c3ccc(cc3nc4c2ccc(c4)NC(=O)CCN
    5CCCC5)NC(=O)CCN6CCCC6; CN(C)c1ccc(Nc2c3
    ccc(NC(=O)CCN4CCCC4)cc3nc5cc(NC(=O)CCN6C
    CCC6)ccc25)cc1    		 9-[4-(n,n-dimethylamino)phenylamino]-3,6-bis(3-pyrrolidinopropionamido) acridine;
    N,N'-(9-{[4-(dimethylamino)phenyl]amino}acridine-3,6-diyl)bis(3-pyrrolidin-1-ylpropanamide)
    15250
    BRB
    CHEMBL184410
    DB02822
    ZINC000000404753    		 6 C7 H7 Br O InChI=1S/C7H7BrO/c8-7-3-1
    -6(5-9)2-4-7/h1-4,9H,5H2;
    VEDDBHYQWFOITD-UHFFFAOYSA-N    		 Brc1ccc(cc1)CO; c1cc(ccc1CO)Br; OCc1ccc(
    Br)cc1    		 PARA-BROMOBENZYL ALCOHOL
    15251
    BRC
    CHEMBL1231458
    DB02405
    ZINC000001637721    		 1 C12 H23 Br O2 InChI=1S/C12H23BrO2/c13-1
    1-9-7-5-3-1-2-4-6-8-10-12
    (14)15/h1-11H2,(H,14,15);
    YYKBWYBUCFHYPR-UHFFFAOYSA-N    		 BrCCCCCCCCCCCC(=O)O; C(CCCCCC(=O)O)CCCCC
    Br; OC(=O)CCCCCCCCCCCBr    		 12-BROMODODECANOIC ACID
    15252
    BRD
    DB03185
    ZINC000033821233    		 4 C10 H14 N2 O5 InChI=1S/C10H14N2O5/c13-5
    -6-7(14)8(15)9(17-6)12-4-
    2-1-3-11-10(12)16/h1-4,6-
    9,13-15H,5H2,(H,11,16)/t6
    -,7-,8-,9-/m1/s1;
    MEPCJRCEYSZBDO-FNCVBFRFSA-N    		 C1=CNC(=O)N(C=C1)[C@H]2[C@@H]([C@@H]([C@
    H](O2)CO)O)O; O=C1NC=CC=CN1C2OC(C(O)C2O)
    CO; C1=CNC(=O)N(C=C1)C2C(C(C(O2)CO)O)O;
    OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC=CNC2=O
    ; OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC
    =CNC2=O    		 1-BETA-RIBOFURANOSYL-1,3-DIAZEPINONE
    15253
    BRE
    CHEMBL220467
    DB03480    		 1 C23 H16 F N O2 InChI=1S/C23H16FNO2/c1-14
    -21(23(26)27)19-13-18(24)
    11-12-20(19)25-22(14)17-9
    -7-16(8-10-17)15-5-3-2-4-
    6-15/h2-13H,1H3,(H,26,27);
    WYKKHJQZENLZID-UHFFFAOYSA-N    		 Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(
    =O)O; Fc1ccc2nc(c(c(c2c1)C(=O)O)C)c4ccc(
    c3ccccc3)cc4; Cc1c(nc2ccc(F)cc2c1C(O)=O)
    c3ccc(cc3)c4ccccc4    		 2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID;
    BREQUINAR ANALOG
    15254
    BRF
    CHEMBL38434
    DB03523
    ZINC000001587011    		 1 C23 H15 F2 N O2 InChI=1S/C23H15F2NO2/c1-1
    3-21(23(27)28)18-12-16(24
    )10-11-20(18)26-22(13)15-
    8-6-14(7-9-15)17-4-2-3-5-
    19(17)25/h2-12H,1H3,(H,27
    ,28);
    PHEZJEYUWHETKO-UHFFFAOYSA-N    		 Fc1ccccc1c4ccc(c2nc3ccc(F)cc3c(c2C)C(=O)
    O)cc4; Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4cccc
    c4F)F)C(=O)O; Cc1c(nc2ccc(F)cc2c1C(O)=O)
    c3ccc(cc3)c4ccccc4F    		 6-FLUORO-2-(2'-FLUORO-1,1'-BIPHENYL-4-YL)-3-METHYLQUINOLINE-4-CARBOXYLIC ACID
    15255
    BRG
    ZINC000001511379    		 1 C5 H4 Br N5 O InChI=1S/C5H4BrN5O/c6-4-8
    -1-2(9-4)10-5(7)11-3(1)12
    /h(H4,7,8,9,10,11,12);
    CRYCZDRIXVHNQB-UHFFFAOYSA-N    		 NC1=Nc2nc(Br)[nH]c2C(=O)N1; O=C2NC(=Nc1n
    c(Br)nc12)N; c12c(nc([nH]1)Br)N=C(NC2=O)
    N    		 8-BROMOGUANINE
    15256
    BRH
    CHEMBL73698    		 2 C6 H7 Br N2 O4 InChI=1S/C6H7BrN2O4/c7-4-
    3(13-9-5(4)10)1-2(8)6(11)
    12/h2H,1,8H2,(H,9,10)(H,1
    1,12);
    JRTOQOAGTSUNHA-UHFFFAOYSA-N    		 C(c1c(c(no1)O)Br)C(C(=O)O)N; Brc1c(onc1O
    )CC(C(=O)O)N; NC(Cc1onc(O)c1Br)C(O)=O    		 (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID;
    BR-HIBO
    15257
    BRI    		 0 C7 H14 O4 InChI=1/C7H14O4/c1-4-7(10
    -2)5(8)3-6(9)11-4/h4-9H,3
    H2,1-2H3/t4-,5-,6+,7+/m1/
    s1;
    CDRBUGSWTNDUSM-JWXFUTCRBV    		 CO[CH]1[CH](C)O[CH](O)C[CH]1O; CC1C(C(CC
    (O1)O)O)OC; C[C@@H]1[C@@H]([C@@H](C[C@H]
    (O1)O)O)OC; O(C1C(OC(O)CC1O)C)C; CO[C@H]
    1[C@@H](C)O[C@H](O)C[C@H]1O    		 (O4)-METHYL-2-DEOXYFUCOSE
    15258
    BRJ
    CHEMBL468583
    ZINC000004978447    		 62 C2 H5 Br O InChI=1S/C2H5BrO/c3-1-2-4
    /h4H,1-2H2;
    LDLCZOVUSADOIV-UHFFFAOYSA-N    		 BrCCO; OCCBr; C(CBr)O 2-BROMOETHANOL
    15259
    BRK
    CHEMBL563377
    DB07488
    ZINC000001432663    		 1 C18 H17 N3 O3 S InChI=1S/C18H17N3O3S/c1-2
    3-13-7-3-11(4-8-13)15(22)
    16-17(19)21-18(25-16)20-1
    2-5-9-14(24-2)10-6-12/h3-
    10H,19H2,1-2H3,(H,20,21);
    XQKUGFIWKSKCDL-UHFFFAOYSA-N    		 O=C(C=2S/C(=N\c1ccc(OC)cc1)NC=2N)c3ccc(O
    C)cc3; COc1ccc(cc1)C(=O)C2=C(N/C(=N/c3cc
    c(cc3)OC)/S2)N; COc1ccc(cc1)C(=O)C2=C(NC
    (=Nc3ccc(cc3)OC)S2)N; COc1ccc(cc1)N=C2NC
    (=C(S2)C(=O)c3ccc(OC)cc3)N    		 {(2Z)-4-AMINO-2-[(4-METHOXYPHENYL)IMINO]-2,3-DIHYDRO-1,3-THIAZOL-5-YL}(4-METHOXYPHENYL)METHANONE
    15260
    BRL
    CHEMBL121106
    ZINC000000968328    		 16 C18 H19 N3 O3 S InChI=1S/C18H19N3O3S/c1-2
    1(16-4-2-3-9-19-16)10-11-
    24-14-7-5-13(6-8-14)12-15
    -17(22)20-18(23)25-15/h2-
    9,15H,10-12H2,1H3,(H,20,2
    2,23)/t15-/m0/s1;
    YASAKCUCGLMORW-HNNXBMFYSA-N    		 CN(CCOc1ccc(C[CH]2SC(=O)NC2=O)cc1)c3cccc
    n3; O=C1NC(=O)SC1Cc3ccc(OCCN(c2ncccc2)C)
    cc3; CN(CCOc1ccc(cc1)C[C@H]2C(=O)NC(=O)S
    2)c3ccccn3; CN(CCOc1ccc(C[C@@H]2SC(=O)NC
    2=O)cc1)c3ccccn3; CN(CCOc1ccc(cc1)CC2C(=
    O)NC(=O)S2)c3ccccn3    		 2,4-THIAZOLIDIINEDIONE, 5-[[4-[2-(METHYL-2-PYRIDINYLAMINO)ETHOXY]PHENYL]METHYL]-(9CL);
    BRL49653;
    ROSIGLITAZONE
    15261
    BRM    		 0 C2 H3 Br O2 InChI=1/C2H3BrO2/c3-1-2(4
    )5/h1H2,(H,4,5)/f/h4H;
    KDPAWGWELVVRCH-JLSKMEETCD    		 OC(=O)CBr; C(C(=O)O)Br; BrCC(=O)O 2-BROMOACETYL GROUP
    15262
    BRN
    CHEMBL35241
    DB03608
    ZINC000003830706    		 8 C14 H15 N7 InChI=1S/C14H15N7/c15-13(
    16)9-1-5-11(6-2-9)19-21-2
    0-12-7-3-10(4-8-12)14(17)
    18/h1-8H,(H3,15,16)(H3,17
    ,18)(H,19,20);
    XNYZHCFCZNMTFY-UHFFFAOYSA-N    		 c1cc(ccc1C(=N)N)N/N=N/c2ccc(cc2)C(=N)N;
    NC(=N)c1ccc(NN=Nc2ccc(cc2)C(N)=N)cc1; N(
    =N/Nc1ccc(cc1)C(=[N@H])N)\c2ccc(C(=[N@H]
    )N)cc2; c1cc(ccc1C(=N)N)NN=Nc2ccc(cc2)C(
    =N)N    		 BERENIL;
    DIMINAZINE ACETURATE;
    1,3-TRIS-(4'AMIDINOPHENYL)TRIAZINE
    15263
    BRO    		 0 Br InChI=1/BrH/h1H;
    CPELXLSAUQHCOX-UHFFFAOYAZ    		 Br; [Br]; [Br-] BROMO GROUP
    15264
    BRP
    DB04320
    ZINC000002043455    		 1 C3 H5 Br O InChI=1S/C3H5BrO/c1-3(4)2
    -5/h5H,1-2H2;
    MDFFZNIQPLKQSG-UHFFFAOYSA-N    		 Br/C(=C)CO; C=C(CO)Br; OCC(Br)=C 2-BROMO-2-PROPENE-1-OL
    15265
    BRQ
    DB07489    		 1 C16 H12 Cl F N3 O S InChI=1S/C16H11ClFN3OS/c1
    7-10-2-1-3-12(8-10)20-16-
    21-15(19)14(23-16)13(22)9
    -4-6-11(18)7-5-9/h1-8H,19
    H2,(H,20,21)/p+1;
    WWGPTHOMFHDEEC-UHFFFAOYSA-O    		 c1cc(cc(c1)Cl)Nc2[nH+]c(c(s2)C(=O)c3ccc(
    cc3)F)N; Nc1[nH+]c(Nc2cccc(Cl)c2)sc1C(=O
    )c3ccc(F)cc3; Fc1ccc(cc1)C(=O)c3sc(Nc2cc
    (Cl)ccc2)[nH+]c3N    		 {[4-AMINO-2-(3-CHLOROANILINO)-1,3-THIAZOL-5-YL](4-FLUOROPHENYL)METHANONE
    15266
    BRR
    DB02625
    ZINC000012502376    		 2 C8 H15 N O4 InChI=1S/C8H15NO4/c1-2-3-
    4-7(8(11)12)5-9(13)6-10/h
    6-7,13H,2-5H2,1H3,(H,11,1
    2)/t7-/m1/s1;
    NOSUUIPGNMAALM-SSDOTTSWSA-N    		 CCCCC(CN(C=O)O)C(=O)O; CCCC[CH](CN(O)C=O
    )C(O)=O; CCCC[C@H](CN(C=O)O)C(=O)O; O=C(
    O)C(CCCC)CN(O)C=O; CCCC[C@H](CN(O)C=O)C(
    O)=O    		 (2R)-2-{[FORMYL(HYDROXY)AMINO]METHYL}HEXANOIC ACID
    15267
    BRS
    DB07490
    ZINC000002043435    		 6 C14 H11 Cl N2 O5 InChI=1S/C14H11ClN2O5/c1-
    8(9-2-4-10(15)5-3-9)12-6-
    11(16(19)20)7-13(14(12)18
    )17(21)22/h2-8,18H,1H3/t8
    -/m1/s1;
    MOZUMFSUQQHSCO-MRVPVSSYSA-N    		 C[CH](c1ccc(Cl)cc1)c2cc(cc(c2O)[N+]([O-]
    )=O)[N+]([O-])=O; C[C@H](c1ccc(cc1)Cl)c2
    cc(cc(c2O)[N+](=O)[O-])[N+](=O)[O-]; Clc
    1ccc(cc1)C(c2cc([N+]([O-])=O)cc([N+]([O-
    ])=O)c2O)C; CC(c1ccc(cc1)Cl)c2cc(cc(c2O)
    [N+](=O)[O-])[N+](=O)[O-]; C[C@H](c1ccc(
    Cl)cc1)c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-
    ])=O    		 2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-DINITRO-PHENOL;
    DNP-19
    15268
    BRT
    DB01854
    ZINC000000071433    		 2 C6 H5 Br N2 O InChI=1S/C6H5BrN2O/c7-5-1
    -4(6(8)10)2-9-3-5/h1-3H,(
    H2,8,10);
    YOQRXZIMSKLRCY-UHFFFAOYSA-N    		 c1c(cncc1Br)C(=O)N; NC(=O)c1cncc(Br)c1;
    O=C(c1cncc(Br)c1)N    		 5-BROMONICOTINAMIDE
    15269
    BRU
    CHEMBL1160593
    DB01903
    ZINC000006090961    		 32 C9 H12 Br N2 O8 P InChI=1S/C9H12BrN2O8P/c10
    -4-2-12(9(15)11-8(4)14)7-
    1-5(13)6(20-7)3-19-21(16,
    17)18/h2,5-7,13H,1,3H2,(H
    ,11,14,15)(H2,16,17,18)/t
    5-,6+,7+/m0/s1;
    LHLHVDBXXZVYJT-RRKCRQDMSA-N    		 BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O
    )(O)O; C1C(C(OC1N2C=C(C(=O)NC2=O)Br)COP(
    =O)(O)O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](
    O)(O)=O)N2C=C(Br)C(=O)NC2=O; C1[C@@H]([C
    @H](O[C@H]1N2C=C(C(=O)NC2=O)Br)COP(=O)(O
    )O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2
    C=C(Br)C(=O)NC2=O    		 5-BROMO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
    15270
    BRV
    DB07491
    ZINC000044678079    		 4 C8 H4 Br3 N O4 InChI=1S/C8H4Br3NO4/c9-3-
    1(7(13)14)4(10)6(12)5(11)
    2(3)8(15)16/h12H2,(H,13,1
    4)(H,15,16);
    KGKQFJKPOZCZLD-UHFFFAOYSA-N    		 Brc1c(c(Br)c(C(=O)O)c(Br)c1N)C(=O)O; Nc1
    c(Br)c(C(O)=O)c(Br)c(C(O)=O)c1Br; c1(c(c
    (c(c(c1Br)N)Br)C(=O)O)Br)C(=O)O    		 5-amino-2,4,6-tribromobenzene-1,3-dicarboxylic acid;
    5-Amino-2,4,6-tribromoisophthalic acid
    15271
    BRW
    CHEMBL409450
    DB03444
    ZINC000018128386    		 1 C16 H10 Br N3 O2 InChI=1S/C16H10BrN3O2/c17
    -8-5-6-9-12(7-8)19-16(21)
    13(9)15-14(20-22)10-3-1-2
    -4-11(10)18-15/h1-7,18,22
    H,(H,19,21)/b15-13-,20-14
    +;
    DDLZLOKCJHBUHD-WAVHTBQISA-N    		 c1ccc2c(c1)/C(=N\O)/C(=C/3\c4ccc(cc4NC3=
    O)Br)/N2; ON=C1C(Nc2ccccc12)=C3C(=O)Nc4c
    c(Br)ccc34; c1ccc2c(c1)C(=NO)C(=C3c4ccc(
    cc4NC3=O)Br)N2; O/N=C1/C(Nc2ccccc12)=C3/
    C(=O)Nc4cc(Br)ccc34; Brc1ccc\2c(c1)NC(=O
    )C/2=C4\C(=N\O)\c3ccccc3N4    		 6-BROMOINDIRUBIN-3'-OXIME;
    (3E)-6'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE 3-OXIME
    15272
    BRX
    DB07492    		 10 C11 H12 Br2 N2 O5 InChI=1S/C11H12Br2N2O5/c1
    2-10(13)11(18)14-8(5-16)9
    (17)6-1-3-7(4-2-6)15(19)2
    0/h1-4,8-10,16-17H,5H2,(H
    ,14,18)/t8-,9-/m1/s1;
    UWOHGNMWBGIRAQ-RKDXNWHRSA-N    		 c1cc(ccc1C(C(CO)NC(=O)C(Br)Br)O)[N+](=O)
    [O-]; OC[C@@H](NC(=O)C(Br)Br)[C@H](O)c1c
    cc(cc1)[N+]([O-])=O; c1cc(ccc1[C@H]([C@@
    H](CO)NC(=O)C(Br)Br)O)[N+](=O)[O-]; OC[C
    H](NC(=O)C(Br)Br)[CH](O)c1ccc(cc1)[N+]([
    O-])=O; BrC(Br)C(=O)NC(C(O)c1ccc([N+]([O
    -])=O)cc1)CO    		 BROMAMPHENICOL
    15273
    BRY
    CHEMBL1231469
    DB07493
    ZINC000100035566    		 1 C16 H9 Br N2 O2 InChI=1S/C16H9BrN2O2/c17-
    8-5-6-12-10(7-8)13(16(21)
    19-12)14-15(20)9-3-1-2-4-
    11(9)18-14/h1-7,18H,(H,19
    ,21)/b14-13-;
    IEQQJQHHJMQETK-YPKPFQOOSA-N    		 O=C/4c1ccccc1NC\4=C3/c2cc(Br)ccc2NC3=O;
    c1ccc2c(c1)C(=O)C(=C3c4cc(ccc4NC3=O)Br)N
    2; c1ccc2c(c1)C(=O)/C(=C/3\c4cc(ccc4NC3=
    O)Br)/N2; Brc1ccc2NC(=O)C(=C3Nc4ccccc4C3
    =O)c2c1; Brc1ccc2NC(=O)/C(=C/3Nc4ccccc4C
    /3=O)c2c1    		 (2Z)-5'-BROMO-2,3'-BIINDOLE-2',3(1H,1'H)-DIONE AMMONIATE
    15274
    BRZ
    CHEMBL1231470
    DB02205
    ZINC000000898293    		 1 C19 H22 O4 InChI=1S/C19H22O4/c1-6-18
    (2,3)13-8-11-7-12-9-16(19
    (4,5)21)22-14(12)10-15(11
    )23-17(13)20/h6-8,10,16,2
    1H,1,9H2,2-5H3/t16-/m0/s1;
    JCDLLLXYAICSQV-INIZCTEOSA-N    		 CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O)OC(C3)C(C)
    (C)O; O=C3Oc2cc1OC(Cc1cc2C=C3C(\C=C)(C)C
    )C(O)(C)C; CC(C)(C=C)C1=Cc2cc3c(cc2OC1=O
    )O[C@@H](C3)C(C)(C)O; CC(C)(O)[CH]1Cc2cc
    3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C; CC(C)(O)[
    C@@H]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C    		 6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-G]CHROMEN-7-ONE
    15275
    BS0
    ZINC000008042381    		 3 C19 H16 N2 O2 S InChI=1S/C19H16N2O2S/c22-
    18-9-7-13-10-14(6-8-16(13
    )20-18)17-12-24-19(21-17)
    11-23-15-4-2-1-3-5-15/h1-
    6,8,10,12H,7,9,11H2,(H,20
    ,22);
    QXHYTMRDSBLWLI-UHFFFAOYSA-N    		 O=C1CCc2cc(ccc2N1)c3csc(COc4ccccc4)n3; c
    1ccc(cc1)OCc2nc(cs2)c3ccc4c(c3)CCC(=O)N4    		 6-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
    15276
    BS1
    DB07494
    ZINC000100035570    		 3 C24 H30 N O InChI=1S/C24H30NO/c1-25(2
    )19-13-14-20(25)16-21(15-
    19)26-24-22-9-5-3-7-17(22
    )11-12-18-8-4-6-10-23(18)
    24/h3-10,19-21,24H,11-16H
    2,1-2H3/q+1/t19-,20+,21-;
    BADPXOSJBUEVTR-WKCHPHFGSA-N    		 C[N+]1(C2CCC1CC(C2)OC3c4ccccc4CCc5c3cccc
    5)C; C[N+]1(C)[CH]2CC[CH]1CC(C2)O[CH]3c4
    ccccc4CCc5ccccc35; C[N+]1(C)[C@H]2CC[C@@
    H]1CC(C2)O[C@@H]3c4ccccc4CCc5ccccc35; C[
    N+]1([C@H]2CC[C@@H]1CC(C2)OC3c4ccccc4CCc
    5c3cccc5)C; O(C3c1ccccc1CCc2ccccc23)C5CC
    4[N+](C)(C(CC4)C5)C    		 (3-EXO)-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8,8-DIMETHYL-8-AZONIABICYCLO[3.2.1]OCTANE
    15277
    BS2    		 6 C29 H32 N O InChI=1S/C29H31NO/c1-2-8-
    21(9-3-1)20-30-24-16-17-2
    5(30)19-26(18-24)31-29-27
    -12-6-4-10-22(27)14-15-23
    -11-5-7-13-28(23)29/h1-13
    ,24-26,29H,14-20H2/p+1/t2
    4-,25+,26+;
    DZOFIEFQFCWGIY-GPOLMCQNSA-O    		 C1C[CH]2CC(C[CH]1[NH+]2Cc3ccccc3)OC4c5cc
    ccc5CCc6ccccc46; c1ccc(cc1)C[NH+]2C3CCC2
    CC(C3)OC4c5ccccc5CCc6c4cccc6; C1C[C@H]2C
    C(C[C@@H]1[NH+]2Cc3ccccc3)OC4c5ccccc5CCc
    6ccccc46; c1ccc(cc1)C[NH+]2[C@@H]3CC[C@H
    ]2CC(C3)OC4c5ccccc5CCc6c4cccc6; O(C3c1cc
    ccc1CCc2ccccc23)C6CC5[NH+](Cc4ccccc4)C(C
    C5)C6    		 (3-ENDO,8-ANTI)-8-BENZYL-3-(10,11-DIHYDRO-5H-DIBENZO[A,D][7]ANNULEN-5-YLOXY)-8-AZONIABICYCLO[3.2.1]OCTANE
    15278
    BS3
    DB14572    		 1 Bi InChI=1S/Bi/q+3;
    JCXGWMGPZLAOME-UHFFFAOYSA-N    		 [Bi+3] Bismuth(III) ION
    15279
    BS4
    CHEMBL1243
    DB09355
    ZINC000005421253    		 2 C13 H12 N2 O3 S InChI=1S/C13H12N2O3S/c14-
    11-6-8-12(9-7-11)19(17,18
    )15-13(16)10-4-2-1-3-5-10
    /h1-9H,14H2,(H,15,16);
    PBCZLFBEBARBBI-UHFFFAOYSA-N    		 Nc1ccc(cc1)[S](=O)(=O)NC(=O)c2ccccc2; c1
    ccc(cc1)C(=O)NS(=O)(=O)c2ccc(cc2)N; O=S(
    =O)(NC(=O)c1ccccc1)c2ccc(N)cc2    		 N-[(4-aminophenyl)sulfonyl]benzamide
    15280
    BS5
    CHEMBL3140272
    ZINC000098208707    		 3 C20 H29 N9 O7 S2 InChI=1S/C20H29N9O7S2/c21
    -17-14-18(23-7-22-17)29(8
    -24-14)19-16(32)15(31)10(
    36-19)5-25-38(34,35)28-12
    (30)4-2-1-3-11-13-9(6-37-
    11)26-20(33)27-13/h7-11,1
    3,15-16,19,25,31-32H,1-6H
    2,(H,28,30)(H2,21,22,23)(
    H2,26,27,33)/t9-,10+,11-,
    13-,15+,16+,19+/m0/s1;
    RSZBCKJLQVSFKT-RHCAYAJFSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CNS(=O)(=O)NC(=O)CCCC[C@H]4[C@@H]
    5[C@H](CS4)NC(=O)N5)O)O)N; Nc1ncnc2n(cnc
    12)[CH]3O[CH](CN[S](=O)(=O)NC(=O)CCCC[CH
    ]4SC[CH]5NC(=O)N[CH]45)[CH](O)[CH]3O; Nc
    1ncnc2n(cnc12)[C@@H]3O[C@H](CN[S](=O)(=O
    )NC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]4
    5)[C@@H](O)[C@H]3O; O=C1NC2C(SCC2N1)CCCC
    C(=O)NS(=O)(=O)NCC5OC(n3c4ncnc(N)c4nc3)C
    (O)C5O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CNS
    (=O)(=O)NC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)O
    )N    		 5'-deoxy-5'-[({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}sulfamoyl)amino]adenosine
    15281
    BS6
    CHEMBL4472607    		 1 C23 H25 N5 O4 S InChI=1S/C23H25N5O4S/c1-2
    6-10-12-28(13-11-26)20-14
    -15-21-17(27(2)23(15)29)9
    -8-16(22(21)24-20)25-33(3
    0,31)19-7-5-4-6-18(19)32-
    3/h4-9,14,25H,10-13H2,1-3
    H3;
    OCFSAAGNZRGIDJ-UHFFFAOYSA-N    		 CN1CCN(CC1)c2cc3c4c(ccc(c4n2)NS(=O)(=O)c
    5ccccc5OC)N(C3=O)C; COc1ccccc1[S](=O)(=O
    )Nc2ccc3N(C)C(=O)c4cc(nc2c34)N5CCN(C)CC5    		 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide
    15282
    BS7
    ZINC000034004478    		 2 C15 H17 N O6 InChI=1S/C15H17NO6/c17-7-
    10-12(18)13(19)14(20)15(2
    2-10)21-9-5-1-3-8-4-2-6-1
    6-11(8)9/h1-6,10,12-15,17
    -20H,7H2/t10-,12+,13+,14-
    ,15-/m1/s1;
    BWMXDESAZVPVGR-BGNCJLHMSA-N    		 c1cc2cccnc2c(c1)OC3C(C(C(C(O3)CO)O)O)O;
    OC[CH]1O[CH](Oc2cccc3cccnc23)[CH](O)[CH]
    (O)[CH]1O; C3(C(C(Oc2c1c(cccn1)ccc2)OC(C
    3O)CO)O)O; c1cc2cccnc2c(c1)O[C@H]3[C@@H]
    ([C@H]([C@H]([C@H](O3)CO)O)O)O; OC[C@H]1
    O[C@@H](Oc2cccc3cccnc23)[C@H](O)[C@@H](O
    )[C@H]1O    		 8-hydroxyquinoline beta-galactopyranoside;
    quinolin-8-yl beta-D-galactopyranoside;
    8-hydroxyquinoline beta-galactoside
    15283
    BS8
    CHEMBL4561244    		 1 C11 H8 F N5 InChI=1S/C11H8FN5/c12-8-5
    -14-3-1-6(8)7-2-4-15-10-9
    (7)16-11(13)17-10/h1-5H,(
    H3,13,15,16,17);
    AYORLAGKWMLGEX-UHFFFAOYSA-N    		 c1cncc(c1c2ccnc3c2[nH]c(n3)N)F; Nc1[nH]c
    2c(ccnc2n1)c3ccncc3F    		 7-(3-fluoranylpyridin-4-yl)-1~{H}-imidazo[4,5-b]pyridin-2-amine
    15284
    BSA
    ZINC000006474629    		 2 C9 H11 N O4 S InChI=1S/C9H11NO4S/c11-9(
    8-4-2-1-3-5-8)10-6-7-15(1
    2,13)14/h1-5H,6-7H2,(H,10
    ,11)(H,12,13,14);
    ABUKAMCDAHVPSR-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)NCCS(=O)(=O)O; O[S](=O)(=
    O)CCNC(=O)c1ccccc1; O=C(NCCS(=O)(=O)O)c1
    ccccc1    		 2-(BENZOYLAMINO)ETHANESULFONIC ACID
    15285
    BSB
    CHEMBL302715
    DB01748
    ZINC000000403946    		 1 C14 H14 N2 O3 S InChI=1S/C14H14N2O3S/c15-
    20(18,19)13-8-6-12(7-9-13
    )14(17)16-10-11-4-2-1-3-5
    -11/h1-9H,10H2,(H,16,17)(
    H2,15,18,19);
    CZKNSZUJCJHTTM-UHFFFAOYSA-N    		 O=S(=O)(N)c2ccc(C(=O)NCc1ccccc1)cc2; c1c
    cc(cc1)CNC(=O)c2ccc(cc2)S(=O)(=O)N; N[S]
    (=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2    		 N-BENZYL-4-SULFAMOYL-BENZAMIDE
    15286
    BSC
    ZINC000012405097    		 8 C8 H18 N2 O3 S InChI=1S/C8H18N2O3S/c1-2-
    3-5-14(10,13)6-4-7(9)8(11
    )12/h7,10H,2-6,9H2,1H3,(H
    ,11,12)/t7-,14+/m0/s1;
    KJQFBVYMGADDTQ-JKYUHCHBSA-N    		 CCCCS(=N)(=O)CCC(C(=O)O)N; CCCCS(=N)(=O)
    CC[C@@H](C(=O)O)N; CCCC[S](=N)(=O)CC[CH]
    (N)C(O)=O; CCCC[S@@](=N)(=O)CC[C@H](N)C(
    O)=O    		 (2S)-2-amino-4-(S-butylsulfonimidoyl)butanoic acid;
    L-BUTHIONINE-[S,R]-SULFOXIMINE
    15287
    BSD
    CHEMBL403268
    ZINC000029037415    		 5 C36 H42 N4 O6 S InChI=1S/C36H42N4O6S/c1-2
    5(28-15-9-6-10-16-28)38-3
    5(42)29-20-30(22-31(21-29
    )40(2)47(4,44)45)36(43)39
    -33(19-26-12-7-5-8-13-26)
    34(41)24-37-23-27-14-11-1
    7-32(18-27)46-3/h5-18,20-
    22,25,33-34,37,41H,19,23-
    24H2,1-4H3,(H,38,42)(H,39
    ,43)/t25-,33+,34-/m1/s1;
    HIQWWDCRULXYDF-SWROZOJRSA-N    		 C[C@H](c1ccccc1)NC(=O)c2cc(cc(c2)[N@@](C
    )S(=O)(=O)C)C(=O)N[C@@H](Cc3ccccc3)[C@@H
    ](CNCc4cccc(c4)OC)O; COc1cccc(CNC[CH](O)
    [CH](Cc2ccccc2)NC(=O)c3cc(cc(c3)C(=O)N[C
    H](C)c4ccccc4)N(C)[S](C)(=O)=O)c1; COc1c
    ccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c3
    cc(cc(c3)C(=O)N[C@H](C)c4ccccc4)N(C)[S](
    C)(=O)=O)c1; CC(c1ccccc1)NC(=O)c2cc(cc(c
    2)N(C)S(=O)(=O)C)C(=O)NC(Cc3ccccc3)C(CNC
    c4cccc(c4)OC)O; O=S(=O)(N(c2cc(cc(C(=O)N
    C(c1ccccc1)C)c2)C(=O)NC(Cc3ccccc3)C(O)CN
    Cc4cc(OC)ccc4)C)C    		 N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide
    15288
    BSE
    DB02904
    ZINC000012502811    		 0 C4 H9 N O3 InChI=1S/C4H9NO3/c5-1-3(2
    -6)4(7)8/h3,6H,1-2,5H2,(H
    ,7,8)/t3-/m0/s1;
    UHLNJPIGFDWGTP-VKHMYHEASA-N    		 NC[C@@H](CO)C(O)=O; NC[CH](CO)C(O)=O; O=
    C(O)C(CN)CO; C([C@@H](CO)C(=O)O)N; C(C(C
    O)C(=O)O)N    		 BETA-3-SERINE
    15289
    BSF
    CHEMBL1231476    		 6 C8 H12 B N O4 S InChI=1S/C8H12BNO4S/c11-9
    (12)7-10-15(13,14)6-8-4-2
    -1-3-5-8/h1-5,10-12H,6-7H
    2;
    TTWWUAQISBIHPB-UHFFFAOYSA-N    		 O=S(=O)(NCB(O)O)Cc1ccccc1; OB(O)CN[S](=O
    )(=O)Cc1ccccc1; B(CNS(=O)(=O)Cc1ccccc1)(
    O)O    		 {[(benzylsulfonyl)amino]methyl}boronic acid
    15290
    BSG
    CHEMBL1231477
    ZINC000170136315    		 2 C9 H12 B N O6 S InChI=1S/C9H12BNO6S/c12-9
    (13)8-3-1-7(2-4-8)5-18(16
    ,17)11-6-10(14)15/h1-4,11
    ,14-15H,5-6H2,(H,12,13);
    XFGLPAZMEWKDFW-UHFFFAOYSA-N    		 B(CNS(=O)(=O)Cc1ccc(cc1)C(=O)O)(O)O; OB(
    O)CN[S](=O)(=O)Cc1ccc(cc1)C(O)=O; O=S(=O
    )(NCB(O)O)Cc1ccc(cc1)C(=O)O    		 4-({[(dihydroxyboranyl)methyl]sulfamoyl}methyl)benzoic acid
    15291
    BSH
    CHEMBL1231478
    ZINC000195357898    		 2 C16 H18 B N O6 S InChI=1S/C16H18BNO6S/c19-
    16(20)14-8-4-7-13(9-14)10
    -15(17(21)22)18-25(23,24)
    11-12-5-2-1-3-6-12/h1-9,1
    5,18,21-22H,10-11H2,(H,19
    ,20)/t15-/m0/s1;
    LCKOZWBVAVBOPR-HNNXBMFYSA-N    		 B([C@H](Cc1cccc(c1)C(=O)O)NS(=O)(=O)Cc2c
    cccc2)(O)O; O=S(=O)(NC(B(O)O)Cc1cccc(C(=
    O)O)c1)Cc2ccccc2; B(C(Cc1cccc(c1)C(=O)O)
    NS(=O)(=O)Cc2ccccc2)(O)O; OB(O)[CH](Cc1c
    ccc(c1)C(O)=O)N[S](=O)(=O)Cc2ccccc2; OB(
    O)[C@H](Cc1cccc(c1)C(O)=O)N[S](=O)(=O)Cc
    2ccccc2    		 3-[(2R)-2-[(benzylsulfonyl)amino]-2-(dihydroxyboranyl)ethyl]benzoic acid
    15292
    BSI
    DB03207
    ZINC000003872815    		 2 C22 H19 N O4 S InChI=1S/C22H19NO4S/c24-2
    2(25)21-14-18-8-4-5-9-19(
    18)15-23(21)28(26,27)20-1
    2-10-17(11-13-20)16-6-2-1
    -3-7-16/h1-13,21H,14-15H2
    ,(H,24,25)/t21-/m1/s1;
    BNVMUDXGABBWGP-OAQYLSRUSA-N    		 c1ccc(cc1)c2ccc(cc2)S(=O)(=O)N3Cc4ccccc4
    CC3C(=O)O; OC(=O)[CH]1Cc2ccccc2CN1[S](=O
    )(=O)c3ccc(cc3)c4ccccc4; c1ccc(cc1)c2ccc
    (cc2)S(=O)(=O)[N@@]3Cc4ccccc4C[C@@H]3C(=
    O)O; OC(=O)[C@H]1Cc2ccccc2CN1[S](=O)(=O)
    c3ccc(cc3)c4ccccc4; O=S(=O)(c2ccc(c1cccc
    c1)cc2)N4C(C(=O)O)Cc3c(cccc3)C4    		 2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
    15293
    BSJ    		 4 C36 H62 N11 O23 P3 S InChI=1S/C36H62N11O23P3S/
    c1-36(2,12-65-73(62,63)70
    -72(60,61)64-11-18-29(69-
    71(57,58)59)27(54)34(66-1
    8)47-14-46-22-31(40)44-13
    -45-32(22)47)30(55)33(56)
    42-5-3-19(48)41-6-8-74-7-
    4-20(49)43-10-17-24(51)25
    (52)21(39)35(67-17)68-28-
    16(38)9-15(37)23(50)26(28
    )53/h6,13-18,21,23-30,34-
    35,50-55H,3-5,7-12,37-39H
    2,1-2H3,(H,42,56)(H,43,49
    )(H,60,61)(H,62,63)(H2,40
    ,44,45)(H2,57,58,59)/b41-
    6-/t15-,16+,17-,18-,21-,2
    3+,24-,25-,26-,27-,28-,29
    -,30+,34-,35-/m1/s1;
    HXXBCMJRHXNFMC-BOUWNZBBSA-N    		 CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1
    [C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
    P(=O)(O)O)[C@H](C(=O)NCCC(=O)/N=C\CSCCC(
    =O)NC[C@@H]4[C@H]([C@@H]([C@H]([C@H](O4)
    O[C@@H]5[C@H](C[C@H]([C@@H]([C@H]5O)O)N)
    N)N)O)O)O; CC(C)(COP(=O)(O)OP(=O)(O)OCC1
    C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C
    (=O)NCCC(=O)N=CCSCCC(=O)NCC4C(C(C(C(O4)O
    C5C(CC(C(C5O)O)N)N)N)O)O)O; CC(C)(CO[P](
    O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH
    ]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C
    (=O)NCCC(=O)N=CCSCCC(=O)NC[CH]4O[CH](O[C
    H]5[CH](N)C[CH](N)[CH](O)[CH]5O)[CH](N)[
    CH](O)[CH]4O; CC(C)(CO[P@@](O)(=O)O[P@@]
    (O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P
    ](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C(=O
    )NCCC(=O)N=CCSCCC(=O)NC[C@H]4O[C@H](O[C@
    @H]5[C@@H](N)C[C@@H](N)[C@H](O)[C@H]5O)[
    C@H](N)[C@@H](O)[C@@H]4O; O=P(O)(O)OC1C(
    O)C(OC1COP(=O)(O)OP(=O)(O)OCC(C)(C)C(O)C
    (=O)NCCC(=O)\N=C/CSCCC(=O)NCC3OC(OC2C(O)
    C(O)C(N)CC2N)C(N)C(O)C3O)n4c5ncnc(N)c5nc
    4    		 (3R,9Z)-17-[(2R,3S,4R,5R,6R)-5-amino-6-{[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy}-3,4-dihydroxytetrahydro-2H-pyran-2-yl]-3-hydroxy-2,2-dimethyl-4,8,15-trioxo-12-thia-5,9,16-triazaheptadec-9-en-1-yl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
    15294
    BSM
    CHEMBL365617
    DB07495
    ZINC000004617893    		 2 C19 H18 Cl N3 O4 InChI=1S/C19H18ClN3O4/c1-
    3-21-19(26)18-16(10-4-6-1
    1(27-2)7-5-10)17(22-23-18
    )12-8-13(20)15(25)9-14(12
    )24/h4-9,24-25H,3H2,1-2H3
    ,(H,21,26)(H,22,23);
    HUNAOTXNHVALTN-UHFFFAOYSA-N    		 Clc3c(O)cc(O)c(c1c(c(nn1)C(=O)NCC)c2ccc(
    OC)cc2)c3; CCNC(=O)c1c(c([nH]n1)c2cc(c(c
    c2O)O)Cl)c3ccc(cc3)OC; CCNC(=O)c1n[nH]c(
    c2cc(Cl)c(O)cc2O)c1c3ccc(OC)cc3    		 5-(5-CHLORO-2,4-DIHYDROXYPHENYL)-N-ETHYL-4-(4-METHOXYPHENYL)-1H-PYRAZOLE-3-CARBOXAMIDE
    15295
    BSO
    ZINC000005192442    		 7 C10 H16 N2 O4 S InChI=1S/C10H16N2O4S/c13-
    8(14)4-2-1-3-7-9-6(5-17(7
    )16)11-10(15)12-9/h6-7,9H
    ,1-5H2,(H,13,14)(H2,11,12
    ,15)/t6-,7-,9-,17-/m0/s1;
    KCSKCIQYNAOBNQ-OKPRWBIXSA-N    		 C1C2C(C(S1=O)CCCCC(=O)O)NC(=O)N2; OC(=O)
    CCCC[CH]1[CH]2NC(=O)N[CH]2C[S]1=O; O=S2C
    C1NC(=O)NC1C2CCCCC(=O)O; C1[C@H]2[C@@H](
    [C@@H]([S@]1=O)CCCCC(=O)O)NC(=O)N2; OC(=
    O)CCCC[C@H]1[C@H]2NC(=O)N[C@H]2C[S@]1=O    		 BIOTIN-D-SULFOXIDE;
    5-[(3AR,4R,6AS)-5-OXIDO-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID
    15296
    BSP    		 2 C20 H8 Br4 O10 S2 InChI=1S/C20H10Br4O10S2/c
    21-15-13-14(16(22)18(24)1
    7(15)23)20(34-19(13)27,7-
    1-3-9(25)11(5-7)35(28,29)
    30)8-2-4-10(26)12(6-8)36(
    31,32)33/h1-6,25-26H,(H,2
    8,29,30)(H,31,32,33)/p-2;
    OHTXTCNTQJFRIG-UHFFFAOYSA-L    		 c1cc(c(cc1C2(c3c(c(c(c(c3Br)Br)Br)Br)C(=
    O)O2)c4ccc(c(c4)S(=O)(=O)[O-])O)S(=O)(=O
    )[O-])O; Oc1ccc(cc1[S]([O-])(=O)=O)C2(OC
    (=O)c3c(Br)c(Br)c(Br)c(Br)c23)c4ccc(O)c(
    c4)[S]([O-])(=O)=O; [O-]S(=O)(=O)c1c(O)c
    cc(c1)C3(OC(=O)c2c(Br)c(Br)c(Br)c(Br)c23
    )c4ccc(O)c(c4)S([O-])(=O)=O    		 3,3'-(4,5,6,7-TETRABROMO-3-OXO-1(3H)-ISOBENZOFURANYLIDENE)BIS [6-HYDROXYBENZENESULFONIC ACID]ANION;
    BROMOSULFALEIN
    15297
    BST
    DB04649
    ZINC000012504450    		 2 C17 H28 N8 O6 InChI=1S/C17H28N8O6/c1-24
    (15(19)20)6-4-9(18)8-11(2
    6)22-10-2-3-12(31-13(10)1
    4(27)28)25-7-5-17(21,30)2
    3-16(25)29/h2-3,5,7,9-10,
    12-13,30H,4,6,8,18,21H2,1
    H3,(H3,19,20)(H,22,26)(H,
    23,29)(H,27,28)/t9-,10-,1
    2+,13-,17-/m0/s1;
    MVFPGTZTOAHVBP-HXYLPHSESA-N    		 O=C1NC(O)(N)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=
    C[C@@](N)(O)NC2=O)C(N)=N; CN(CCC(CC(=O)N
    C1C=CC(OC1C(=O)O)N2C=CC(NC2=O)(N)O)N)C(=
    N)N; CN(CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](
    O[C@@H]1C(=O)O)N2C=C[C@@](NC2=O)(N)O)N)C
    (=N)N; CN(CC[CH](N)CC(=O)N[CH]1C=C[CH](O
    [CH]1C(O)=O)N2C=C[C](N)(O)NC2=O)C(N)=N    		 6-(4-AMINO-4-HYDROXY-2-OXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-3-[3-AMINO-5-(N-METHYL-GUANIDINO)-PENT ANOYLAMINO]-3,6-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID;
    TETRAHEDRAL INTERMEDIATE OF BLASTICIDIN S
    15298
    BSU
    CHEMBL354676
    DB07496
    ZINC000012416741    		 10 C13 H12 N2 O InChI=1S/C13H12N2O/c16-13
    (14-11-7-3-1-4-8-11)15-12
    -9-5-2-6-10-12/h1-10H,(H2
    ,14,15,16);
    GWEHVDNNLFDJLR-UHFFFAOYSA-N    		 c1ccc(cc1)NC(=O)Nc2ccccc2; O=C(Nc1ccccc1
    )Nc2ccccc2    		 1,3-DIPHENYLUREA;
    DIPHENYLCARBAMIDE
    15299
    BSV    		 1 C14 H14 O4 InChI=1S/C14H14O4/c1-8-2-
    3-10(9-4-5-9)6-11(8)12(15
    )7-13(16)14(17)18/h2-3,6-
    7,9,16H,4-5H2,1H3,(H,17,1
    8)/b13-7-;
    ATXCBLFFUXEDGX-QPEQYQDCSA-N    		 Cc1ccc(cc1C(=O)/C=C(O)/C(O)=O)C2CC2; Cc1
    ccc(cc1C(=O)C=C(O)C(O)=O)C2CC2; C(/C(c1c
    (C)ccc(c1)C2CC2)=O)=C(\C(O)=O)O; Cc1ccc(
    cc1C(=O)C=C(C(=O)O)O)C2CC2; Cc1ccc(cc1C(
    =O)/C=C(/C(=O)O)\O)C2CC2    		 (2Z)-4-(5-cyclopropyl-2-methylphenyl)-2-hydroxy-4-oxobut-2-enoic acid
    15300
    BSW
    CHEMBL4541864    		 1 C12 H8 F N3 InChI=1S/C12H8FN3/c13-11-
    7-14-4-1-9(11)8-2-5-15-12
    -10(8)3-6-16-12/h1-7H,(H,
    15,16);
    IKSVOVRMDGWNBK-UHFFFAOYSA-N    		 c1c[nH]c2c1c(ccn2)c3ccncc3F; Fc1cnccc1c2
    ccnc3[nH]ccc23    		 4-(3-fluoranylpyridin-4-yl)-1~{H}-pyrrolo[2,3-b]pyridine
    15301
    BSX
    CHEMBL379916
    ZINC000000389782    		 4 C8 H10 F N InChI=1S/C8H10FN/c9-8-4-2
    -1-3-7(8)5-6-10/h1-4H,5-6
    ,10H2;
    RIKUOLJPJNVTEP-UHFFFAOYSA-N    		 NCCc1ccccc1F; c1ccc(c(c1)CCN)F 2-(2-fluorophenyl)ethanamine
    15302
    BSY    		 4 H O3 Se InChI=1S/H2O3Se/c1-4(2)3/
    h(H2,1,2,3)/p-1;
    MCAHWIHFGHIESP-UHFFFAOYSA-M    		 O[Se]([O-])=O; O[Se](=O)[O-]; [O-][Se](=
    O)O    		 BISELENITE ION
    15303
    BSZ
    ZINC000033748314    		 0 C7 H7 Cl O4 S InChI=1S/C7H7ClO4S/c1-12-
    7-3-2-5(4-6(7)8)13(9,10)1
    1/h2-4H,1H3,(H,9,10,11);
    ZHGMKNONEQMBRL-UHFFFAOYSA-N    		 Clc1cc(ccc1OC)S(=O)(=O)O; COc1ccc(cc1Cl)
    [S](O)(=O)=O; COc1ccc(cc1Cl)S(=O)(=O)O    		 3-chloro-4-methoxybenzenesulfonic acid
    15304
    BT0
    CHEMBL4579153    		 1 C19 H16 N2 O4 S InChI=1S/C19H16N2O4S/c1-2
    1-15-11-10-14(12-6-5-7-13
    (18(12)15)19(21)22)20-26(
    23,24)17-9-4-3-8-16(17)25
    -2/h3-11,20H,1-2H3;
    QETWZQZUXAGMTQ-UHFFFAOYSA-N    		 COc1ccccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)c4c
    ccc2c34; CN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)
    (=O)c4ccccc4OC    		 2-methoxy-N-(1-methyl-2-oxidanylidene-benzo[cd]indol-6-yl)benzenesulfonamide
    15305
    BT1
    CHEMBL82285
    ZINC000003875331    		 1 C32 H35 N3 O3 S InChI=1S/C32H35N3O3S/c36-
    31(25-11-14-29(33-23-25)3
    8-22-20-35-17-5-6-18-35)3
    0-27-7-1-2-8-28(27)39-32(
    30)24-9-12-26(13-10-24)37
    -21-19-34-15-3-4-16-34/h1
    -2,7-14,23H,3-6,15-22H2;
    ZWXFJUPNUWRODU-UHFFFAOYSA-N    		 O=C(c1c4ccccc4sc1c3ccc(OCCN2CCCC2)cc3)c6
    ccc(OCCN5CCCC5)nc6; O=C(c1ccc(OCCN2CCCC2
    )nc1)c3c(sc4ccccc34)c5ccc(OCCN6CCCC6)cc5
    ; c1ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4
    )C(=O)c5ccc(nc5)OCCN6CCCC6    		 {2-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-BENZO[B]THIOPHEN-3-YL}-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL]-METHANONE
    15306
    BT2
    CHEMBL77366
    ZINC000003870909    		 1 C33 H38 N2 O2 S InChI=1S/C33H38N2O2S/c1-2
    -8-32-30(7-1)31(25-26-9-1
    3-28(14-10-26)36-23-21-34
    -17-3-4-18-34)33(38-32)27
    -11-15-29(16-12-27)37-24-
    22-35-19-5-6-20-35/h1-2,7
    -16H,3-6,17-25H2;
    MBVYSLWWSSHIRS-UHFFFAOYSA-N    		 C1CCN(C1)CCOc2ccc(Cc3c(sc4ccccc34)c5ccc(
    OCCN6CCCC6)cc5)cc2; O(c1ccc(cc1)Cc2c5ccc
    cc5sc2c4ccc(OCCN3CCCC3)cc4)CCN6CCCC6; c1
    ccc2c(c1)c(c(s2)c3ccc(cc3)OCCN4CCCC4)Cc5
    ccc(cc5)OCCN6CCCC6    		 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHENE
    15307
    BT3
    ZINC000003832367    		 1 C32 H37 N3 O3 S InChI=1S/C32H37N3O3S/c36-
    26-8-11-28-29(21-24-5-9-2
    7(10-6-24)37-19-17-34-13-
    1-2-14-34)32(39-30(28)22-
    26)25-7-12-31(33-23-25)38
    -20-18-35-15-3-4-16-35/h5
    -12,22-23,36H,1-4,13-21H2;
    KEDLOQLGBOISAT-UHFFFAOYSA-N    		 c1cc(ccc1Cc2c3ccc(cc3sc2c4ccc(nc4)OCCN5C
    CCC5)O)OCCN6CCCC6; Oc1ccc2c(Cc3ccc(OCCN4
    CCCC4)cc3)c(sc2c1)c5ccc(OCCN6CCCC6)nc5;
    O(c1ccc(cc1)Cc2c5ccc(O)cc5sc2c4ccc(OCCN3
    CCCC3)nc4)CCN6CCCC6    		 3-[4-(2-PYRROLIDIN-1-YL-ETHOXY)-BENZYL]-2-4-(2-PYRROLIDIN-1-YL-ETHOXY)-PHENYL] -BENZO[B]THIOPHEN-6-OL
    15308
    BT5
    ZINC000008551918    		 24 C20 H28 N7 O9 P S InChI=1S/C20H28N7O9PS/c21
    -17-14-18(23-7-22-17)27(8
    -24-14)19-16(30)15(29)10(
    35-19)5-34-37(32,33)36-12
    (28)4-2-1-3-11-13-9(6-38-
    11)25-20(31)26-13/h7-11,1
    3,15-16,19,29-30H,1-6H2,(
    H,32,33)(H2,21,22,23)(H2,
    25,26,31)/t9-,10+,11-,13-
    ,15+,16+,19+/m0/s1;
    UTQCSTJVMLODHM-RHCAYAJFSA-N    		 O=C1NC2C(SCC2N1)CCCCC(=O)OP(=O)(O)OCC5OC
    (n3c4ncnc(N)c4nc3)C(O)C5O; c1nc(c2c(n1)n
    (cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@
    ](=O)(O)OC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4
    )NC(=O)N5)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[
    CH](CO[P](O)(=O)OC(=O)CCCC[CH]4SC[CH]5NC
    (=O)N[CH]45)[CH](O)[CH]3O; Nc1ncnc2n(cnc
    12)[C@@H]3O[C@H](CO[P](O)(=O)OC(=O)CCCC[
    C@@H]4SC[C@@H]5NC(=O)N[C@H]45)[C@@H](O)[
    C@H]3O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP
    (=O)(O)OC(=O)CCCCC4C5C(CS4)NC(=O)N5)O)O)
    N    		 BIOTINYL-5-AMP
    15309
    BT6
    CHEMBL119405
    ZINC000001867127    		 9 C6 H6 S InChI=1S/C6H6S/c7-6-4-2-1
    -3-5-6/h1-5,7H;
    RMVRSNDYEFQCLF-UHFFFAOYSA-N    		 Sc1ccccc1; c1ccc(cc1)S benzenethiol
    15310
    BT7    		 2 C10 H16 F2 N2 O InChI=1S/C10H16F2N2O/c1-3
    -8(4-2)14-6-7(5-13-14)9(1
    5)10(11)12/h5-6,8-10,15H,
    3-4H2,1-2H3/t9-/m0/s1;
    LKTXIVWHOJXFEW-VIFPVBQESA-N    		 CCC(CC)n1cc(cn1)[CH](O)C(F)F; CCC(CC)n1c
    c(cn1)[C@H](O)C(F)F; CCC(CC)n1cc(cn1)C(C
    (F)F)O; CCC(CC)n1cc(cn1)[C@@H](C(F)F)O;
    n1n(C(CC)CC)cc(C(C(F)F)O)c1    		 (1S)-2,2-difluoro-1-[1-(pentan-3-yl)-1H-pyrazol-4-yl]ethan-1-ol
    15311
    BT8
    CHEMBL2062774    		 1 C21 H26 N4 O3 InChI=1S/C21H26N4O3/c1-3-
    26-21-18-6-5-17(14-19(18)
    28-24-21)27-13-10-16-8-11
    -25(12-9-16)20-7-4-15(2)2
    2-23-20/h4-7,14,16H,3,8-1
    3H2,1-2H3;
    DKSVBVKHUICELN-UHFFFAOYSA-N    		 CCOc1noc2cc(OCCC3CCN(CC3)c4ccc(C)nn4)ccc
    12; CCOc1c2ccc(cc2on1)OCCC3CCN(CC3)c4ccc
    (nn4)C; n1nc(ccc1C)N2CCC(CC2)CCOc4ccc3c(
    onc3OCC)c4    		 3-ethoxy-6-{2-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]ethoxy}-1,2-benzoxazole;
    BTA798
    15312
    BT9
    CHEMBL1682202
    ZINC000054186689    		 2 C14 H10 F3 N O2 InChI=1S/C14H10F3NO2/c15-
    14(16,17)10-4-6-11(7-5-10
    )18-12-3-1-2-9(8-12)13(19
    )20/h1-8,18H,(H,19,20);
    MDZIRNPRVJEHHX-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(cc1)Nc2cc(ccc2)C(=O)O; c1c
    c(cc(c1)Nc2ccc(cc2)C(F)(F)F)C(=O)O; OC(=
    O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1    		 3-{[4-(trifluoromethyl)phenyl]amino}benzoic acid
    15313
    BTA    		 0 C5 H11 N O2 InChI=1/C5H11NO2/c1-2-3-4
    (6)5(7)8/h4H,2-3,6H2,1H3,
    (H,7,8)/t4-/m0/s1/f/h7H;
    SNDPXSYFESPGGJ-XWEZEGGSDX    		 CCC[CH](N)C(O)=O; CCC[C@H](N)C(O)=O; CCC
    [C@@H](C(=O)O)N; O=C(O)C(N)CCC; CCCC(C(=
    O)O)N    		 4-DEMETHYL-LEUCINE
    15314
    BTB
    ZINC000001615342    		 2 C8 H19 N O5 InChI=1S/C8H19NO5/c10-3-1
    -9(2-4-11)8(5-12,6-13)7-1
    4/h10-14H,1-7H2;
    OWMVSZAMULFTJU-UHFFFAOYSA-N    		 C(CO)N(CCO)C(CO)(CO)CO; OCCN(C(CO)(CO)CO
    )CCO; OCCN(CCO)C(CO)(CO)CO    		 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL;
    BIS-TRIS BUFFER
    15315
    BTC    		 0 C3 H7 N O2 S InChI=1/C3H7NO2S/c4-2(1-7
    )3(5)6/h2,7H,1,4H2,(H,5,6
    )/t2-/m0/s1/f/h5H;
    XUJNEKJLAYXESH-SNQCPAJUDK    		 N[CH](CS)C(O)=O; C([C@@H](C(=O)O)N)S; N[
    C@@H](CS)C(O)=O; O=C(O)C(N)CS; C(C(C(=O)
    O)N)S    		 CYSTEINE;
    BIS-TRIS BUFFER
    15316
    BTD
    CHEMBL1231486
    DB03804
    ZINC000003802687    		 2 C13 H13 Br N2 O5 S InChI=1S/C13H13BrN2O5S/c1
    4-10-2-1-9(22-10)6-4-16(1
    3(20)15-12(6)19)11-3-7(18
    )8(5-17)21-11/h1-2,4,7-8,
    11,17-18H,3,5H2,(H,15,19,
    20)/t7-,8+,11+/m0/s1;
    IGUZFFOBAZCVRK-VAOFZXAKSA-N    		 OC[CH]1O[CH](C[CH]1O)N2C=C(C(=O)NC2=O)c3
    sc(Br)cc3; Brc3sc(C=1C(=O)NC(=O)N(C=1)C2
    OC(CO)C(O)C2)cc3; c1cc(sc1C2=CN(C(=O)NC2
    =O)[C@H]3C[C@@H]([C@H](O3)CO)O)Br; c1cc(
    sc1C2=CN(C(=O)NC2=O)C3CC(C(O3)CO)O)Br; O
    C[C@H]1O[C@H](C[C@@H]1O)N2C=C(C(=O)NC2=O
    )c3sc(Br)cc3    		 5-BROMOTHIENYLDEOXYURIDINE
    15317
    BTE
    CHEMBL1447590
    ZINC000000161237    		 5 C6 H5 N3 S InChI=1S/C6H5N3S/c7-4-2-1
    -3-5-6(4)9-10-8-5/h1-3H,7
    H2;
    DRLGIZIAMHIQHL-UHFFFAOYSA-N    		 Nc1cccc2nsnc12; n1snc2c(cccc12)N; c1cc(c
    2c(c1)nsn2)N    		 2,1,3-benzothiadiazol-4-amine
    15318
    BTF    		 2 C26 H27 Fe N9 O2 S InChI=1S/C22H27N5O2S.4CN.
    Fe/c1-14-6-8-23-16(10-14)
    17-11-15(7-9-24-17)12-25-
    20(28)5-3-2-4-19-21-18(13
    -30-19)26-22(29)27-21;4*1
    -2;/h6-11,18-19,21H,2-5,1
    2-13H2,1H3,(H,25,28)(H2,2
    6,27,29);;;;;/t18-,19-,21
    -;;;;;/m0...../s1;
    ITCQNDJKWHDZGL-HIIDOUEDSA-N    		 CC1=CC=[N]2C(=C1)C3=CC(=CC=[N]3[Fe]2(C#N
    )(C#N)(C#N)C#N)CNC(=O)CCCCC4C5C(CS4)NC(=
    O)N5; Cc1ccnc(c1)c2cc(CNC(=O)CCCC[CH]3SC
    [CH]4NC(=O)N[CH]34)ccn2.N#C[Fe](C#N)(C#N
    )C#N; CC1=CC=[N]2C(=C1)C3=CC(=CC=[N]3[Fe
    ]2(C#N)(C#N)(C#N)C#N)CNC(=O)CCCC[C@H]4[C
    @@H]5[C@H](CS4)NC(=O)N5; Cc1ccnc(c1)c2cc
    (CNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]
    34)ccn2.N#C[Fe](C#N)(C#N)C#N    		 iron(II) tetracyano-5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid (4'-methyl-[2,2']bipyridinyl-4-ylmethyl)-amide
    15319
    BTG
    CHEMBL4530691    		 2 C21 H23 N O8 InChI=1S/C21H23NO8/c1-11(
    24)22-17-19(26)18(25)16(1
    0-23)30-21(17)29-15-8-3-2
    -7-14(15)12-5-4-6-13(9-12
    )20(27)28/h2-9,16-19,21,2
    3,25-26H,10H2,1H3,(H,22,2
    4)(H,27,28)/t16-,17-,18+,
    19-,21-/m1/s1;
    FLXAKMSHXBTMLT-GQUPQBGVSA-N    		 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O
    c2ccccc2c3cccc(c3)C(=O)O)CO)O)O; CC(=O)N
    [CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2cccc
    c2c3cccc(c3)C(O)=O; CC(=O)N[C@@H]1[C@@H]
    (O)[C@@H](O)[C@@H](CO)O[C@H]1Oc2ccccc2c3
    cccc(c3)C(O)=O; c3ccc(c1cccc(C(O)=O)c1)c
    (OC2C(NC(=O)C)C(O)C(C(O2)CO)O)c3; CC(=O)
    NC1C(C(C(OC1Oc2ccccc2c3cccc(c3)C(=O)O)CO
    )O)O    		 ortho-biphenyl-2'-carboxyl N-acetyl-beta-galactosaminoside;
    2'-{[2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl]oxy}[1,1'-biphenyl]-3-carboxylic acid
    15320
    BTH
    ZINC000016051413    		 2 C30 H31 N5 O5 S InChI=1S/C30H31N5O5S/c1-1
    9(36)25(17-28(37)38)35-30
    (40)22(26-10-6-16-41-26)7
    -4-5-15-31-29(39)20-11-13
    -21(14-12-20)33-27-18-32-
    23-8-2-3-9-24(23)34-27/h2
    -3,6,8-14,16,18,22,25H,4-
    5,7,15,17H2,1H3,(H,31,39)
    (H,33,34)(H,35,40)(H,37,3
    8)/t22-,25+/m1/s1;
    FDQYFIJPZTYCIY-RDGATRHJSA-N    		 CC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(=
    O)c1ccc(Nc2cnc3ccccc3n2)cc1)c4sccc4; O=C
    (O)CC(C(=O)C)NC(=O)C(c1sccc1)CCCCNC(=O)c
    4ccc(Nc2nc3c(nc2)cccc3)cc4; CC(=O)[C@H](
    CC(=O)O)NC(=O)[C@H](CCCCNC(=O)c1ccc(cc1)
    Nc2cnc3ccccc3n2)c4cccs4; CC(=O)C(CC(=O)O
    )NC(=O)C(CCCCNC(=O)c1ccc(cc1)Nc2cnc3cccc
    c3n2)c4cccs4; CC(=O)[CH](CC(O)=O)NC(=O)[
    CH](CCCCNC(=O)c1ccc(Nc2cnc3ccccc3n2)cc1)
    c4sccc4    		 4-OXO-3-{6-[4-(QUINOXALIN-2-YLAMINO)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-PENTANOIC ACID
    15321
    BTI
    DB07497
    ZINC000036470912    		 215 C10 H16 N2 O2 S InChI=1S/C10H16N2O2S/c13-
    5-3-1-2-4-8-9-7(6-15-8)11
    -10(14)12-9/h5,7-9H,1-4,6
    H2,(H2,11,12,14)/t7-,8-,9
    -/m0/s1;
    ARDNWGMSCXSPBF-CIUDSAMLSA-N    		 O=CCCCC[CH]1SC[CH]2NC(=O)N[CH]12; O=CCCC
    C[C@@H]1SC[C@@H]2NC(=O)N[C@H]12; C1[C@H]
    2[C@@H]([C@@H](S1)CCCCC=O)NC(=O)N2; O=C1
    NC2C(SCC2N1)CCCCC=O; C1C2C(C(S1)CCCCC=O)
    NC(=O)N2    		 5-(HEXAHYDRO-2-OXO-1H-THIENO[3,4-D]IMIDAZOL-6-YL)PENTANAL
    15322
    BTJ    		 1 C54 H67 N7 O11 InChI=1S/C54H67N7O11/c1-3
    -4-7-19-47(62)57-28-13-12
    -18-45(51(56)66)61-53(68)
    46(34-39-20-24-42(25-21-3
    9)49(64)41-16-10-6-11-17-
    41)60-48(63)36-71-32-31-7
    0-30-29-58-52(67)37(2)59-
    54(69)50(65)44(55)33-38-2
    2-26-43(27-23-38)72-35-40
    -14-8-5-9-15-40/h1,5-6,8-
    11,14-17,20-27,37,44-46,5
    0,65H,4,7,12-13,18-19,28-
    36,55H2,2H3,(H2,56,66)(H,
    57,62)(H,58,67)(H,59,69)(
    H,60,63)(H,61,68)/t37-,44
    +,45?,46+,50+/m0/s1;
    LWTJZKFAFDMVBX-QYMMKXOHSA-N    		 O=C(N)C(NC(=O)C(NC(=O)COCCOCCNC(=O)C(NC(
    =O)C(O)C(N)Cc2ccc(OCc1ccccc1)cc2)C)Cc4cc
    c(C(=O)c3ccccc3)cc4)CCCCNC(=O)CCCC#C; CC
    (C(=O)NCCOCCOCC(=O)NC(Cc1ccc(cc1)C(=O)c2
    ccccc2)C(=O)NC(CCCCNC(=O)CCCC#C)C(=O)N)N
    C(=O)C(C(Cc3ccc(cc3)OCc4ccccc4)N)O; C[C@
    @H](C(=O)NCCOCCOCC(=O)N[C@@H](Cc1ccc(cc1
    )C(=O)c2ccccc2)C(=O)NC(CCCCNC(=O)CCCC#C)
    C(=O)N)NC(=O)[C@H]([C@@H](Cc3ccc(cc3)OCc
    4ccccc4)N)O; C[CH](NC(=O)[CH](O)[CH](N)C
    c1ccc(OCc2ccccc2)cc1)C(=O)NCCOCCOCC(=O)N
    [CH](Cc3ccc(cc3)C(=O)c4ccccc4)C(=O)NC(CC
    CCNC(=O)CCCC#C)C(N)=O; C[C@H](NC(=O)[C@@
    H](O)[C@H](N)Cc1ccc(OCc2ccccc2)cc1)C(=O)
    NCCOCCOCC(=O)N[C@@H](Cc3ccc(cc3)C(=O)c4c
    cccc4)C(=O)NC(CCCCNC(=O)CCCC#C)C(N)=O    		 N-[(2-{2-[(N-{(2S,3R)-3-amino-4-[4-(benzyloxy)phenyl]-2-hydroxybutanoyl}-L-alanyl)amino]ethoxy}ethoxy)acetyl]-4-benzoyl-L-phenylalanyl-N~6~-hex-5-ynoyllysinamide
    15323
    BTK    		 0 C10 H20 N2 O3 InChI=1S/C10H20N2O3/c1-2-
    5-9(13)12-7-4-3-6-8(11)10
    (14)15/h8H,2-7,11H2,1H3,(
    H,12,13)(H,14,15)/t8-/m0/
    s1;
    VRWLRMTUPOYQFV-QMMMGPOBSA-N    		 CCCC(=O)NCCCC[C@H](N)C(O)=O; CCCC(=O)NCC
    CC[C@@H](C(=O)O)N; O=C(O)C(N)CCCCNC(=O)C
    CC; CCCC(=O)NCCCC[CH](N)C(O)=O; CCCC(=O)
    NCCCCC(C(=O)O)N    		 N~6~-butanoyl-L-lysine
    15324
    BTL
    CHEMBL1231491
    DB04401
    ZINC000100015771    		 9 C5 H12 N O InChI=1S/C5H12NO/c1-6(2,3
    )4-5-7/h5H,4H2,1-3H3/q+1;
    SXKNCCSPZDCRFD-UHFFFAOYSA-N    		 O=CC[N+](C)(C)C; C[N+](C)(C)CC=O BETAINE ALDEHYDE;
    [FORMYLMETHYL]TRIMETHYL-AMMONIUM;
    N,N,N-TRIMETHYL AMMONIUM ACETALDEHYDE
    15325
    BTM
    CHEMBL1231492
    ZINC000001496993    		 33 C13 H22 N InChI=1S/C13H22N/c1-4-14(
    5-2,6-3)12-13-10-8-7-9-11
    -13/h7-11H,4-6,12H2,1-3H3
    /q+1;
    VBQDSLGFSUGBBE-UHFFFAOYSA-N    		 CC[N+](CC)(CC)Cc1ccccc1; c1ccccc1C[N+](C
    C)(CC)CC    		 N-benzyl-N,N-diethylethanaminium
    15326
    BTN
    CHEMBL857
    DB00121
    ZINC000035024346    		 305 C10 H16 N2 O3 S InChI=1S/C10H16N2O3S/c13-
    8(14)4-2-1-3-7-9-6(5-16-7
    )11-10(15)12-9/h6-7,9H,1-
    5H2,(H,13,14)(H2,11,12,15
    )/t6-,7-,9-/m0/s1;
    YBJHBAHKTGYVGT-ZKWXMUAHSA-N    		 OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12; OC(
    =O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12; O
    =C1NC2C(SCC2N1)CCCCC(=O)O; C1C2C(C(S1)CC
    CCC(=O)O)NC(=O)N2; C1[C@H]2[C@@H]([C@@H]
    (S1)CCCCC(=O)O)NC(=O)N2    		 BIOTIN
    15327
    BTO
    DB07498
    ZINC000000150537    		 1 C12 H11 N3 O5 InChI=1S/C12H11N3O5/c16-1
    1(17)6-2-5-10-13-12(14-20
    -10)8-3-1-4-9(7-8)15(18)1
    9/h1,3-4,7H,2,5-6H2,(H,16
    ,17);
    LQQYZJRCWBRIMW-UHFFFAOYSA-N    		 c1cc(cc(c1)[N+](=O)[O-])c2nc(on2)CCCC(=O
    )O; OC(=O)CCCc1onc(n1)c2cccc(c2)[N+]([O-
    ])=O; [O-][N+](=O)c1cccc(c1)c2nc(on2)CCC
    C(=O)O    		 4-[3-(3-NITROPHENYL)-1,2,4-OXADIAZOL-5-YL]BUTANOIC ACID
    15328
    BTP
    CHEMBL90403
    DB02953    		 0 C10 H12 O2 S InChI=1S/C10H12O2S/c11-10
    (12)9(7-13)6-8-4-2-1-3-5-
    8/h1-5,9,13H,6-7H2,(H,11,
    12)/t9-/m1/s1;
    ZUEBVBPVXLQMQR-SECBINFHSA-N    		 c1ccc(cc1)C[C@H](CS)C(=O)O; OC(=O)[CH](C
    S)Cc1ccccc1; c1ccc(cc1)CC(CS)C(=O)O; OC(
    =O)[C@@H](CS)Cc1ccccc1; O=C(O)C(CS)Cc1cc
    ccc1    		 2-THIOMETHYL-3-PHENYLPROPANOIC ACID
    15329
    BTQ
    DB04650
    ZINC000001532548    		 6 C10 H16 N2 O3 S InChI=1S/C10H16N2O3S/c13-
    8(14)4-2-1-3-7-9-6(5-16-7
    )11-10(15)12-9/h6-7,9H,1-
    5H2,(H,13,14)(H2,11,12,15
    )/t6-,7+,9-/m0/s1;
    YBJHBAHKTGYVGT-OOZYFLPDSA-N    		 OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12; C1[
    C@H]2[C@@H]([C@H](S1)CCCCC(=O)O)NC(=O)N2
    ; O=C1NC2C(SCC2N1)CCCCC(=O)O; C1C2C(C(S1
    )CCCCC(=O)O)NC(=O)N2; OC(=O)CCCC[C@H]1SC
    [C@@H]2NC(=O)N[C@H]12    		 EPI-BIOTIN;
    5-[(3AS,4R,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOIC ACID
    15330
    BTR
    ZINC000002516136    		 0 C11 H11 Br N2 O2 InChI=1S/C11H11BrN2O2/c12
    -7-1-2-8-6(3-9(13)11(15)1
    6)5-14-10(8)4-7/h1-2,4-5,
    9,14H,3,13H2,(H,15,16)/t9
    -/m0/s1;
    OAORYCZPERQARS-VIFPVBQESA-N    		 N[C@@H](Cc1c[nH]c2cc(Br)ccc12)C(O)=O; N[
    CH](Cc1c[nH]c2cc(Br)ccc12)C(O)=O; c1cc2c
    (cc1Br)[nH]cc2CC(C(=O)O)N; O=C(O)C(N)Cc2
    c1ccc(Br)cc1nc2; c1cc2c(cc1Br)[nH]cc2C[C
    @@H](C(=O)O)N    		 6-BROMO-TRYPTOPHAN
    15331
    BTS
    CHEMBL1161789
    DB03132
    ZINC000001809738    		 0 C10 H11 N O3 S3 InChI=1S/C10H11NO3S3/c12-
    17(13,14)7-3-6-15-10-11-8
    -4-1-2-5-9(8)16-10/h1-2,4
    -5H,3,6-7H2,(H,12,13,14);
    XBNHRNFODJOFRU-UHFFFAOYSA-N    		 O=S(=O)(O)CCCSc1nc2ccccc2s1; c1ccc2c(c1)
    nc(s2)SCCCS(=O)(=O)O; O[S](=O)(=O)CCCSc1
    sc2ccccc2n1    		 3-(2-BENZOTHIAZOLYLTHIO)-1-PROPANESULFONIC ACID
    15332
    BTT
    ZINC000001727808    		 12 C6 H6 O4 InChI=1S/C6H6O4/c7-3-1-4(
    8)6(10)2-5(3)9/h1-2,7-10H;
    UYQMSQMCIYSXOW-UHFFFAOYSA-N    		 c1c(c(cc(c1O)O)O)O; Oc1cc(O)c(O)cc1O; Oc
    1c(O)cc(O)c(O)c1    		 BENZENE-1,2,4,5-TETROL
    15333
    BTU    		 0 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    4-6(16)8(18)9(19)11(21-4)
    22-10-7(17)5(2-14)23-12(1
    0,20)3-15/h4-11,13-20H,1-
    3H2/t4-,5-,6-,7-,8+,9-,10
    +,11-,12-/m1/s1;
    DRQXUCVJDCRJDB-GWRCVIBKSA-N    		 C(C1C(C(C(C(O1)OC2C(C(OC2(CO)O)CO)O)O)O)
    O)O; OC[CH]1O[CH](O[CH]2[CH](O)[CH](CO)O
    [C]2(O)CO)[CH](O)[CH](O)[CH]1O; OC[C@H]1
    O[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@]2(O
    )CO)[C@H](O)[C@@H](O)[C@@H]1O; O(C1C(O)C
    (OC1(O)CO)CO)C2OC(CO)C(O)C(O)C2O; C([C@@
    H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C
    @@H]([C@H](O[C@@]2(CO)O)CO)O)O)O)O)O    		 3-O-alpha-D-glucopyranosyl-beta-D-fructofuranose
    15334
    BTV
    CHEMBL3972792    		 1 C20 H25 N5 O3 S InChI=1S/C20H25N5O3S/c26-
    19(27)14-8-6-13(7-9-14)10
    -25-11-15(23-24-25)4-2-1-
    3-5-17-18-16(12-29-17)21-
    20(28)22-18/h6-9,11,16-18
    H,1-5,10,12H2,(H,26,27)(H
    2,21,22,28)/t16-,17-,18-/
    m0/s1;
    WFMFNVSBAHDHPE-BZSNNMDCSA-N    		 c4c(Cn1cc(nn1)CCCCCC3C2NC(NC2CS3)=O)ccc(
    C(=O)O)c4; c1cc(ccc1Cn2cc(nn2)CCCCC[C@H]
    3C4C(CS3)NC(=O)N4)C(=O)O; OC(=O)c1ccc(Cn
    2cc(CCCCC[CH]3SC[CH]4NC(=O)N[CH]34)nn2)c
    c1; c1cc(ccc1Cn2cc(nn2)CCCCCC3C4C(CS3)NC
    (=O)N4)C(=O)O; OC(=O)c1ccc(Cn2cc(CCCCC[C
    @@H]3SC[C@@H]4NC(=O)N[C@H]34)nn2)cc1    		 4-[(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)methyl]benzoic acid
    15335
    BTW
    ZINC000058626914    		 1 C11 H14 O2 S InChI=1S/C11H14O2S/c1-8(1
    4)10(11(12)13)7-9-5-3-2-4
    -6-9/h2-6,8,10,14H,7H2,1H
    3,(H,12,13)/t8-,10-/m1/s1;
    LYLMADGMEFUMHJ-PSASIEDQSA-N    		 CC(C(Cc1ccccc1)C(=O)O)S; C[CH](S)[CH](Cc
    1ccccc1)C(O)=O; O=C(O)C(C(S)C)Cc1ccccc1;
    C[C@H]([C@@H](Cc1ccccc1)C(=O)O)S; C[C@@
    H](S)[C@@H](Cc1ccccc1)C(O)=O    		 (2S,3R)-2-benzyl-3-sulfanylbutanoic acid;
    (2S,3R)-2-benzyl-3-mercaptobutanoic acid
    15336
    BTX
    CHEMBL1231498
    DB04651
    ZINC000014881284    		 6 C20 H30 N7 O8 P S InChI=1S/C20H30N7O8PS/c21
    -17-14-18(23-8-22-17)27(9
    -24-14)19-16(29)15(28)11(
    35-19)6-34-36(31,32)33-5-
    3-1-2-4-12-13-10(7-37-12)
    25-20(30)26-13/h8-13,15-1
    6,19,28-29H,1-7H2,(H,31,3
    2)(H2,21,22,23)(H2,25,26,
    30)/t10-,11+,12-,13-,15+,
    16+,19+/m0/s1;
    KBOGUFFJCBPJEH-SQGSUPJISA-N    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)
    (=O)OCCCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45
    )[C@@H](O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3
    O[CH](CO[P](O)(=O)OCCCCC[CH]4SC[CH]5NC(=
    O)N[CH]45)[CH](O)[CH]3O; O=C1NC2C(SCC2N1
    )CCCCCOP(=O)(O)OCC5OC(n3c4ncnc(N)c4nc3)C
    (O)C5O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP
    (=O)(O)OCCCCCC4C5C(CS4)NC(=O)N5)O)O)N; c
    1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@
    H](O3)CO[P@](=O)(O)OCCCCC[C@H]4[C@@H]5[C
    @H](CS4)NC(=O)N5)O)O)N    		 ((2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL 5-((3AS,4S,6AR)-2-OXO-HEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL)PENTYL HYDROGEN PHOSPHATE;
    BIOTINOL-5-AMP
    15337
    BTY    		 1 C6 H7 N5 O InChI=1S/C6H7N5O/c1-3-2-4
    -8-6(12)9-5(7)11(4)10-3/h
    2H,1H3,(H3,7,8,9,12);
    AIOHMASJJVGZOY-UHFFFAOYSA-N    		 Cc1cc2n(n1)C(=NC(=O)N2)N; O=C1N=C(n2nc(c
    c2N1)C)N; Cc1cc2NC(=O)N=C(N)n2n1    		 4-amino-7-methylpyrazolo[1,5-a][1,3,5]triazin-2(1H)-one
    15338
    BTZ
    DB07499
    ZINC000053683062    		 0 C12 H16 N6 O S2 InChI=1S/C12H16N6OS2/c13-
    12(14)16-4-2-1-3-15-10(19
    )8-6-21-11(18-8)9-5-20-7-
    17-9/h5-7H,1-4H2,(H,15,19
    )(H4,13,14,16);
    VSIFMASDYAMOAN-UHFFFAOYSA-N    		 [H]N=C(N)NCCCCNC(=O)c1csc(n1)c2cscn2; NC
    (=N)NCCCCNC(=O)c1csc(n1)c2cscn2; O=C(c1n
    c(sc1)c2ncsc2)NCCCCNC(=[N@H])N; [H]/N=C(
    \N)/NCCCCNC(=O)c1csc(n1)c2cscn2    		 N-(4-{[amino(imino)methyl]amino}butyl)-2,4'-bi-1,3-thiazole-4-carboxamide
    15339
    BU0    		 3 C27 H25 N5 O2 InChI=1S/C27H23N5O2/c1-18
    (20-12-6-3-7-13-20)29-26(
    33)21-16-22-25(30-23-14-8
    -9-15-31(23)27(22)34)32(2
    4(21)28)17-19-10-4-2-5-11
    -19/h2-16,18,28H,17H2,1H3
    ,(H,29,33)/p+2/t18-/m0/s1;
    JQHLCUIHVLWGLE-SFHVURJKSA-P    		 CC(c1ccccc1)NC(=O)c2cc3c([n+](c2N)Cc4ccc
    cc4)Nc5cccc[n+]5C3=O; C[C@H](NC(=O)c1cc2
    C(=O)[n+]3ccccc3Nc2[n+](Cc4ccccc4)c1N)c5
    ccccc5; C[C@@H](c1ccccc1)NC(=O)c2cc3c([n
    +](c2N)Cc4ccccc4)Nc5cccc[n+]5C3=O; C[CH]
    (NC(=O)c1cc2C(=O)[n+]3ccccc3Nc2[n+](Cc4c
    cccc4)c1N)c5ccccc5; CC(NC(=O)c1cc2C(=O)[
    n+]3ccccc3Nc2[n+](Cc2ccccc2)c1N)c1ccccc1    		 6-azanyl-2-oxidanylidene-N-[(1S)-1-phenylethyl]-7-(phenylmethyl)-1$l^{4},9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-1(14),3(8),4,6,10,12-hexaene-5-carboxamide
    15340
    BU1
    CHEMBL171623
    DB01955
    ZINC000001599375    		 2 C4 H10 O2 InChI=1S/C4H10O2/c5-3-1-2
    -4-6/h5-6H,1-4H2;
    WERYXYBDKMZEQL-UHFFFAOYSA-N    		 OCCCCO; C(CCO)CO 1,4-BUTANEDIOL
    15341
    BU2
    CHEMBL1231501
    DB02202
    ZINC000001867144    		 39 C4 H10 O2 InChI=1S/C4H10O2/c1-4(6)2
    -3-5/h4-6H,2-3H2,1H3/t4-/
    m0/s1;
    PUPZLCDOIYMWBV-BYPYZUCNSA-N    		 OCCC(O)C; C[C@@H](CCO)O; C[CH](O)CCO; C[
    C@H](O)CCO; CC(CCO)O    		 1,3-BUTANEDIOL
    15342
    BU3
    ZINC000000901616    		 228 C4 H10 O2 InChI=1S/C4H10O2/c1-3(5)4
    (2)6/h3-6H,1-2H3/t3-,4-/m
    1/s1;
    OWBTYPJTUOEWEK-QWWZWVQMSA-N    		 C[C@H]([C@@H](C)O)O; C[C@@H](O)[C@@H](C)
    O; OC(C)C(O)C; CC(C(C)O)O; C[CH](O)[CH](
    C)O    		 (R,R)-2,3-BUTANEDIOL
    15343
    BU4
    ZINC000002041097    		 16 C4 H10 O2 InChI=1S/C4H10O2/c1-4(6)2
    -3-5/h4-6H,2-3H2,1H3/t4-/
    m1/s1;
    PUPZLCDOIYMWBV-SCSAIBSYSA-N    		 C[C@@H](O)CCO; C[C@H](CCO)O; C[CH](O)CCO
    ; CC(CCO)O    		 (3R)-butane-1,3-diol
    15344
    BU5
    CHEMBL4446950    		 1 C11 H9 N3 O S InChI=1S/C11H9N3OS/c15-5-
    7-6-16-11(14-7)9-2-4-13-1
    0-8(9)1-3-12-10/h1-4,6,15
    H,5H2,(H,12,13);
    DEQVBJXGQZCGGU-UHFFFAOYSA-N    		 OCc1csc(n1)c2ccnc3[nH]ccc23; c1c[nH]c2c1
    c(ccn2)c3nc(cs3)CO    		 [2-(1~{H}-pyrrolo[2,3-b]pyridin-4-yl)-1,3-thiazol-4-yl]methanol
    15345
    BU6
    ZINC000098208708    		 1 C14 H16 Cl F N4 O2 S InChI=1S/C14H16ClFN4O2S/c
    15-10-1-2-13(16)14(7-10)2
    3(21,22)19-11-8-18-20(9-1
    1)12-3-5-17-6-4-12/h1-2,7
    -9,12,17,19H,3-6H2;
    XMUAZEINLRUFHP-UHFFFAOYSA-N    		 c1cc(c(cc1Cl)S(=O)(=O)Nc2cnn(c2)C3CCNCC3
    )F; Fc1ccc(Cl)cc1[S](=O)(=O)Nc2cnn(c2)C3
    CCNCC3; Clc1cc(c(F)cc1)S(=O)(=O)Nc2cn(nc
    2)C3CCNCC3    		 5-chloro-2-fluoro-N-[1-(4-piperidyl)pyrazol-4-yl]benzenesulfonamide
    15346
    BU7
    ZINC000004815953    		 2 C14 H15 N O2 S2 InChI=1S/C14H15NO2S2/c1-2
    -3-8-15-13(17)12(19-14(15
    )18)9-10-4-6-11(16)7-5-10
    /h4-7,9,16H,2-3,8H2,1H3/b
    12-9+;
    WYSQOCWIYDTTJF-FMIVXFBMSA-N    		 CCCCN1C(=S)SC(=C/c2ccc(O)cc2)/C1=O; CCCC
    N1C(=O)/C(=C\c2ccc(cc2)O)/SC1=S; CCCCN1C
    (=O)C(=Cc2ccc(cc2)O)SC1=S; CCCCN1C(=S)SC
    (=Cc2ccc(O)cc2)C1=O; CCCCN2C(=O)/C(=C\c1
    ccc(cc1)O)SC2=S    		 (5E)-3-butyl-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
    15347
    BU8
    CHEMBL4589188
    ZINC000017060146    		 11 C6 H6 N4 InChI=1S/C6H6N4/c7-6-9-4-
    2-1-3-8-5(4)10-6/h1-3H,(H
    3,7,8,9,10);
    KXQPVJRJUJJWQJ-UHFFFAOYSA-N    		 Nc1[nH]c2cccnc2n1; c1cc2c(nc1)nc([nH]2)N 1~{H}-imidazo[4,5-b]pyridin-2-amine
    15348
    BU9
    DB02418
    ZINC000012405152    		 5 C4 H10 O2 InChI=1S/C4H10O2/c1-3(5)4
    (2)6/h3-6H,1-2H3/t3-,4+;
    OWBTYPJTUOEWEK-ZXZARUISSA-N    		 C[C@H]([C@H](C)O)O; OC(C)C(O)C; CC(C(C)O
    )O; C[CH](O)[CH](C)O; C[C@H](O)[C@@H](C)
    O    		 Meso-2,3-Butanediol
    15349
    BUA
    CHEMBL14227
    DB03568
    ZINC000000895132    		 33 C4 H8 O2 InChI=1S/C4H8O2/c1-2-3-4(
    5)6/h2-3H2,1H3,(H,5,6);
    FERIUCNNQQJTOY-UHFFFAOYSA-N    		 CCCC(=O)O; CCCC(O)=O butanoic acid
    15350
    BUB
    CHEMBL31962
    DB02664
    ZINC000169743048    		 4 C4 H11 B O2 InChI=1S/C4H11BO2/c1-2-3-
    4-5(6)7/h6-7H,2-4H2,1H3;
    QPKFVRWIISEVCW-UHFFFAOYSA-N    		 OB(O)CCCC; B(CCCC)(O)O; CCCCB(O)O 1-BUTANE BORONIC ACID
    15351
    BUC
    ZINC000033615702    		 0 C7 H15 N O2 S2 InChI=1S/C7H15NO2S2/c1-2-
    3-4-11-12-5-6(8)7(9)10/h6
    H,2-5,8H2,1H3,(H,9,10)/t6
    -/m0/s1;
    XWJGTZVISFJZPH-LURJTMIESA-N    		 CCCCSSC[C@@H](C(=O)O)N; CCCCSSC[CH](N)C(
    O)=O; O=C(O)C(N)CSSCCCC; CCCCSSCC(C(=O)O
    )N; CCCCSSC[C@H](N)C(O)=O    		 S,S-BUTYLTHIOCYSTEINE
    15352
    BUD
    ZINC000000901619    		 11 C4 H10 O2 InChI=1S/C4H10O2/c1-3(5)4
    (2)6/h3-6H,1-2H3/t3-,4-/m
    0/s1;
    OWBTYPJTUOEWEK-IMJSIDKUSA-N    		 C[C@@H]([C@H](C)O)O; C[C@H](O)[C@H](C)O;
    OC(C)C(O)C; CC(C(C)O)O; C[CH](O)[CH](C)
    O    		 (2S,3S)-butane-2,3-diol
    15353
    BUE
    DB07841    		 5 C20 H36 O7 P2 InChI=1S/C20H36O7P2/c1-17
    (2)9-6-10-18(3)11-7-12-19
    (4)13-8-14-20(5)15-16-26-
    29(24,25)27-28(21,22)23/h
    9,11,13,15H,6-8,10,12,14,
    16H2,1-5H3,(H,24,25)(H2,2
    1,22,23);
    OINNEUNVOZHBOX-UHFFFAOYSA-N    		 CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(
    =O)O[P](O)(O)=O; CC(=CCCC(=CCCC(=CCCC(=C
    COP(=O)(O)OP(=O)(O)O)C)C)C)C    		 NerylNeryl pyrophosphate
    15354
    BUF
    CHEMBL399680
    ZINC000004215121    		 8 C24 H34 O4 InChI=1S/C24H34O4/c1-22-1
    0-7-17(25)13-16(22)4-5-20
    -19(22)8-11-23(2)18(9-12-
    24(20,23)27)15-3-6-21(26)
    28-14-15/h3,6,14,16-20,25
    ,27H,4-5,7-13H2,1-2H3/t16
    -,17+,18-,19+,20-,22+,23-
    ,24+/m1/s1;
    QEEBRPGZBVVINN-BMPKRDENSA-N    		 C[C]12CC[CH](O)C[CH]1CC[CH]3[CH]2CC[C]4(
    C)[CH](CC[C]34O)C5=COC(=O)C=C5; C[C@]12C
    C[C@H](O)C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4(
    C)[C@H](CC[C@]34O)C5=COC(=O)C=C5; O=C1OC
    =C(C=C1)C4C3(C)CCC2C5(C)CCC(O)CC5CCC2C3(
    O)CC4; CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=C
    OC(=O)C=C5)O)C)O; C[C@]12CC[C@@H](C[C@H]
    1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]
    4C5=COC(=O)C=C5)O)C)O    		 bufalin
    15355
    BUG    		 0 C6 H13 N O2 InChI=1S/C6H13NO2/c1-6(2,
    3)4(7)5(8)9/h4H,7H2,1-3H3
    ,(H,8,9)/t4-/m1/s1;
    NPDBDJFLKKQMCM-SCSAIBSYSA-N    		 CC(C)(C)[C@@H](C(=O)O)N; O=C(O)C(N)C(C)(
    C)C; CC(C)(C)[CH](N)C(O)=O; CC(C)(C)C(C(
    =O)O)N; CC(C)(C)[C@H](N)C(O)=O    		 3-methyl-L-valine
    15356
    BUH
    CHEMBL3670375
    ZINC000167724189    		 1 C19 H15 Cl F7 N5 O2 InChI=1S/C19H15ClF7N5O2/c
    1-16(7-34-17(2,15(28)32-1
    6)19(25,26)27)13-10(21)3-
    4-11(30-13)31-14(33)12-9(
    20)5-8(6-29-12)18(22,23)2
    4/h3-6H,7H2,1-2H3,(H2,28,
    32)(H,30,31,33)/t16-,17+/
    m0/s1;
    PSBBWFNMHDUTRH-DLBZAZTESA-N    		 CC1(COC(C(=N1)N)(C)C(F)(F)F)c2c(ccc(n2)N
    C(=O)c3c(cc(cn3)C(F)(F)F)Cl)F; C[C]1(CO[
    C](C)(C(=N1)N)C(F)(F)F)c2nc(NC(=O)c3ncc(
    cc3Cl)C(F)(F)F)ccc2F; C[C@]1(CO[C@](C)(C
    (=N1)N)C(F)(F)F)c2nc(NC(=O)c3ncc(cc3Cl)C
    (F)(F)F)ccc2F; C[C@]1(CO[C@@](C(=N1)N)(C
    )C(F)(F)F)c2c(ccc(n2)NC(=O)c3c(cc(cn3)C(
    F)(F)F)Cl)F    		 ~{N}-[6-[(3~{R},6~{R})-5-azanyl-3,6-dimethyl-6-(trifluoromethyl)-2~{H}-1,4-oxazin-3-yl]-5-fluoranyl-pyridin-2-yl]-3-chloranyl-5-(trifluoromethyl)pyridine-2-carboxamide
    15357
    BUI
    CHEMBL1231506    		 1 C22 H45 N3 O3 InChI=1S/C22H45N3O3/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-17-23-22(28)24-20(18-
    21(26)27)19-25(2,3)4/h20H
    ,5-19H2,1-4H3,(H2-,23,24,
    26,27,28)/t20-/m1/s1;
    BMZYTDRMCBZVNH-HXUWFJFHSA-N    		 CCCCCCCCCCCCCCNC(=O)NC(CC(=O)[O-])C[N+](
    C)(C)C; CCCCCCCCCCCCCCNC(=O)N[C@H](CC([O
    -])=O)C[N+](C)(C)C; [O-]C(=O)CC(NC(=O)NC
    CCCCCCCCCCCCC)C[N+](C)(C)C; CCCCCCCCCCCC
    CCNC(=O)N[C@H](CC(=O)[O-])C[N+](C)(C)C;
    CCCCCCCCCCCCCCNC(=O)N[CH](CC([O-])=O)C[N
    +](C)(C)C    		 (3R)-3-{[(TETRADECYLAMINO)CARBONYL]AMINO}-4-(TRIMETHYLAMMONIO)BUTANOATE;
    ST1326;
    (R)-N-TETRADECYLCARBAMOYL-AMINOCARNITINE
    15358
    BUJ
    CHEMBL1231507    		 2 C23 H46 N2 O3 InChI=1S/C23H46N2O3/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-17-18-22(26)24-21(19-
    23(27)28)20-25(2,3)4/h21H
    ,5-20H2,1-4H3,(H-,24,26,2
    7,28)/t21-/m1/s1;
    IUBZDMWVMKIBIS-OAQYLSRUSA-N    		 CCCCCCCCCCCCCCCC(=O)N[C@H](CC([O-])=O)C[
    N+](C)(C)C; CCCCCCCCCCCCCCCC(=O)N[C@H](C
    C(=O)[O-])C[N+](C)(C)C; CCCCCCCCCCCCCCCC
    (=O)N[CH](CC([O-])=O)C[N+](C)(C)C; [O-]C
    (=O)CC(NC(=O)CCCCCCCCCCCCCCC)C[N+](C)(C)
    C; CCCCCCCCCCCCCCCC(=O)NC(CC(=O)[O-])C[N
    +](C)(C)C    		 (3R)-3-(hexadecanoylamino)-4-(trimethylammonio)butanoate;
    (3R)-3-(palmitoylamino)-4-(trimethylammonio)butanoate
    15359
    BUK
    ZINC000150342487    		 1 C27 H42 Br N9 O5 S InChI=1S/C27H42BrN9O5S/c1
    -14(2)21(24(41)35-18(5-4-
    10-33-26(30)31)22(39)25-3
    2-11-12-43-25)37-23(40)19
    (13-20(29)38)36-27(42)34-
    15(3)16-6-8-17(28)9-7-16/
    h6-9,11-12,14-15,18-19,21
    -22,25,32,39H,4-5,10,13H2
    ,1-3H3,(H2,29,38)(H,35,41
    )(H,37,40)(H4,30,31,33)(H
    2,34,36,42)/t15-,18+,19+,
    21+,22+,25+/m1/s1;
    JOESWSPHHQIQBV-JJYDKGGZSA-N    		 CC(C)[CH](NC(=O)[CH](CC(N)=O)NC(=O)N[CH]
    (C)c1ccc(Br)cc1)C(=O)N[CH](CCCNC(N)=N)[C
    H](O)[CH]2NC=CS2; CC(C)[C@H](NC(=O)[C@H]
    (CC(N)=O)NC(=O)N[C@H](C)c1ccc(Br)cc1)C(=
    O)N[C@@H](CCCNC(N)=N)[C@H](O)[C@H]2NC=CS
    2; Brc1ccc(cc1)C(NC(=O)NC(C(=O)NC(C(=O)N
    C(C(O)C2SC=CN2)CCCNC(=[N@H])N)C(C)C)CC(=
    O)N)C; [H]N=C(N)NCCCC(C(C1NC=CS1)O)NC(=O
    )C(C(C)C)NC(=O)C(CC(=O)N)NC(=O)NC(C)c2cc
    c(cc2)Br; [H]/N=C(/N)\NCCC[C@@H]([C@@H](
    C1NC=CS1)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]
    (CC(=O)N)NC(=O)N[C@H](C)c2ccc(cc2)Br    		 N~2~-({[(1R)-1-(4-BROMOPHENYL)ETHYL]AMINO}CARBONYL)ASPARAGINYL-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[2,3-DIHYDRO-1,3-THIAZOL-2-YL(HYDROXY)METHYL]BUTYL}VALINAMIDE;
    N-((R)-1-(4-BROMOPHENYL)ETHYL)UREA-ASN-VAL-ARG-ALPHA-KETOTHIAZOLE
    15360
    BUL
    CHEMBL1231509
    ZINC000015489078    		 3 C16 H29 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)/t8
    -,9+,10-,11+,12+,13+,14+,
    16+/m0/s1;
    RPNZWZDLNYCCIG-HMMVDTEZSA-N    		 CC(=O)N[CH]1[CH](O)[CH](O[S](O)(=O)=O)[C
    H](CO)O[CH]1O[CH]2C[CH](N[CH]2CO)C(=O)NC
    C[S](O)(=O)=O; CC(=O)NC1C(C(C(OC1OC2CC(N
    C2CO)C(=O)NCCS(=O)(=O)O)CO)OS(=O)(=O)O)O
    ; O=S(=O)(O)CCNC(=O)C2NC(C(OC1OC(C(OS(=O
    )(=O)O)C(O)C1NC(=O)C)CO)C2)CO; CC(=O)N[C
    @@H]1[C@H]([C@@H]([C@H](O[C@H]1O[C@H]2C[
    C@H](N[C@@H]2CO)C(=O)NCCS(=O)(=O)O)CO)OS
    (=O)(=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]2
    C[C@H](N[C@@H]2CO)C(=O)NCC[S](O)(=O)=O    		 BULGECIN A
    15361
    BUM
    DB01949
    ZINC000002568180    		 2 C7 H16 N2 O InChI=1S/C7H16N2O/c1-7(2,
    3)5(8)6(10)9-4/h5H,8H2,1-
    4H3,(H,9,10)/t5-/m1/s1;
    BPKJNEIOHOEWLO-RXMQYKEDSA-N    		 CC(C)(C)C(C(=O)NC)N; CNC(=O)[CH](N)C(C)(
    C)C; CC(C)(C)[C@@H](C(=O)NC)N; CNC(=O)[C
    @@H](N)C(C)(C)C; O=C(NC)C(N)C(C)(C)C    		 2-AMINO-N,3,3-TRIMETHYLBUTANAMIDE
    15362
    BUN
    CHEMBL128000
    ZINC000012428433    		 1 C15 H12 O5 InChI=1S/C15H12O5/c16-10-
    3-4-11(14(19)8-10)12(17)5
    -1-9-2-6-13(18)15(20)7-9/
    h1-8,16,18-20H/b5-1+;
    AYMYWHCQALZEGT-ORCRQEGFSA-N    		 Oc1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(O)c2; c1
    cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)O)O; c1cc
    (c(cc1C=CC(=O)c2ccc(cc2O)O)O)O; O=C(c1cc
    c(O)cc1O)\C=C\c2cc(O)c(O)cc2; Oc1ccc(c(O
    )c1)C(=O)\C=C\c2ccc(O)c(O)c2    		 (2E)-1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one;
    2',3,4,4'-Tetrahydroxychalcone;
    Butein
    15363
    BUO
    CHEMBL365809
    ZINC000001532732    		 2 C4 H6 O2 InChI=1S/C4H6O2/c1-3(5)4(
    2)6/h1-2H3;
    QSJXEFYPDANLFS-UHFFFAOYSA-N    		 CC(=O)C(C)=O; CC(=O)C(=O)C butane-2,3-dione
    15364
    BUP
    CHEMBL384527
    ZINC000038149754    		 2 C9 H14 Br N2 O15 P3 InChI=1S/C9H14BrN2O15P3/c
    10-3-1-12(9(16)11-7(3)15)
    8-6(14)5(13)4(25-8)2-24-2
    9(20,21)27-30(22,23)26-28
    (17,18)19/h1,4-6,8,13-14H
    ,2H2,(H,20,21)(H,22,23)(H
    ,11,15,16)(H2,17,18,19)/t
    4-,5-,6-,8-/m1/s1;
    IWFHOSULCAJGRM-UAKXSSHOSA-N    		 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P]
    (O)(=O)O[P](O)(O)=O)N2C=C(Br)C(=O)NC2=O;
    C1=C(C(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)
    OP(=O)(O)OP(=O)(O)O)O)O)Br; C1=C(C(=O)NC
    (=O)N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@
    @](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)O)Br;
    O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)N2C=C(Br)C(=
    O)NC2=O; O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2
    OC(N1C(=O)NC(=O)C(Br)=C1)C(O)C2O    		 5-bromouridine 5'-(tetrahydrogen triphosphate)
    15365
    BUQ
    DB04094
    ZINC000001672523    		 2 C4 H8 O2 InChI=1S/C4H8O2/c1-4(6)2-
    3-5/h5H,2-3H2,1H3;
    LVSQXDHWDCMMRJ-UHFFFAOYSA-N    		 CC(=O)CCO; O=C(C)CCO 4-HYDROXY-2-BUTANONE
    15366
    BUR
    CHEMBL2333770
    ZINC000095588286    		 1 C23 H22 F3 N3 O3 InChI=1S/C23H22F3N3O3/c1-
    22(2,3)17-7-4-5-9-19(17)3
    1-20-18(8-6-14-27-20)29-2
    1(30)28-15-10-12-16(13-11
    -15)32-23(24,25)26/h4-14H
    ,1-3H3,(H2,28,29,30);
    AHFLGPTXSIRAQK-UHFFFAOYSA-N    		 CC(C)(C)c1ccccc1Oc2ncccc2NC(=O)Nc3ccc(OC
    (F)(F)F)cc3; FC(F)(F)Oc1ccc(cc1)NC(=O)Nc
    3cccnc3Oc2c(cccc2)C(C)(C)C; CC(C)(C)c1cc
    ccc1Oc2c(cccn2)NC(=O)Nc3ccc(cc3)OC(F)(F)
    F    		 1-[2-(2-tert-butylphenoxy)pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
    15367
    BUT    		 0 C4 H10 InChI=1/C4H10/c1-3-4-2/h3
    -4H2,1-2H3;
    IJDNQMDRQITEOD-UHFFFAOYAE    		 CCCC BUTYL GROUP
    15368
    BUU    		 1 C16 H16 N2 O6 InChI=1S/C16H16N2O6/c17-1
    2(16(20)21)7-10-5-6-14(19
    )15(8-10)24-9-11-3-1-2-4-
    13(11)18(22)23/h1-6,8,12,
    19H,7,9,17H2,(H,20,21)/t1
    2-/m0/s1;
    NKOMHGJPHGNQSO-LBPRGKRZSA-N    		 c1ccc(c(c1)COc2cc(ccc2O)C[C@@H](C(=O)O)N
    )[N+](=O)[O-]; N[CH](Cc1ccc(O)c(OCc2cccc
    c2[N+]([O-])=O)c1)C(O)=O; c1ccc(c(c1)COc
    2cc(ccc2O)CC(C(=O)O)N)[N+](=O)[O-]; N[C@
    @H](Cc1ccc(O)c(OCc2ccccc2[N+]([O-])=O)c1
    )C(O)=O    		 (2~{S})-2-azanyl-3-[3-[(2-nitrophenyl)methoxy]-4-oxidanyl-phenyl]propanoic acid
    15369
    BUV
    CHEMBL4103298    		 1 C28 H23 Cl N6 O4 InChI=1S/C28H23ClN6O4/c29
    -21-9-12-24(35-17-30-32-3
    3-35)20(16-21)8-13-25(36)
    34-15-14-23(18-4-2-1-3-5-
    18)26(34)27(37)31-22-10-6
    -19(7-11-22)28(38)39/h1-1
    3,16-17,23,26H,14-15H2,(H
    ,31,37)(H,38,39)/b13-8+/t
    23-,26+/m1/s1;
    AYEZZMZYYOYMAM-BNNLJGLZSA-N    		 c1ccc(cc1)C2CCN(C2C(=O)Nc3ccc(cc3)C(=O)O
    )C(=O)C=Cc4cc(ccc4n5cnnn5)Cl; c1ccc(cc1)
    [C@H]2CCN([C@@H]2C(=O)Nc3ccc(cc3)C(=O)O)
    C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl; OC(=O)c1c
    cc(NC(=O)[CH]2[CH](CCN2C(=O)C=Cc3cc(Cl)c
    cc3n4cnnn4)c5ccccc5)cc1; OC(=O)c1ccc(NC(
    =O)[C@@H]2[C@H](CCN2C(=O)/C=C/c3cc(Cl)cc
    c3n4cnnn4)c5ccccc5)cc1    		 4-[[(2~{S},3~{R})-1-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]benzoic acid
    15370
    BUW
    ZINC000000056651    		 1 C19 H24 N2 S InChI=1S/C19H24N2S/c1-4-2
    0(5-2)15(3)14-21-16-10-6-
    8-12-18(16)22-19-13-9-7-1
    1-17(19)21/h6-13,15H,4-5,
    14H2,1-3H3/t15-/m1/s1;
    CDOZDBSBBXSXLB-OAHLLOKOSA-N    		 CCN(CC)C(C)CN1c2ccccc2Sc3c1cccc3; CCN(CC
    )[C@H](C)CN1c2ccccc2Sc3ccccc13; CCN(CC)[
    C@H](C)CN1c2ccccc2Sc3c1cccc3; CCN(CC)[CH
    ](C)CN1c2ccccc2Sc3ccccc13    		 R-ethopropazine
    15371
    BUX
    CHEMBL1447391
    ZINC000001573978    		 3 C13 H6 Cl2 N2 O4 InChI=1S/C13H6Cl2N2O4/c14
    -6-2-1-3-7(4-6)16-13-17-1
    1(18)10-8(20-13)5-9(15)21
    -12(10)19/h1-5H,(H,16,17,
    18);
    YBBCXMKGFBMRLJ-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)NC2=NC(=O)C3=C(O2)C=C(OC3=
    O)Cl; ClC1=CC2=C(C(=O)O1)C(=O)N=C(Nc3ccc
    c(Cl)c3)O2    		 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione
    15372
    BUY
    CHEMBL3701219
    ZINC000145838610    		 1 C27 H21 Cl N6 O4 InChI=1S/C27H21ClN6O4/c28
    -20-8-11-23(34-16-29-31-3
    2-34)19(15-20)7-12-24(35)
    33-14-13-17-3-1-2-4-22(17
    )25(33)26(36)30-21-9-5-18
    (6-10-21)27(37)38/h1-12,1
    5-16,25H,13-14H2,(H,30,36
    )(H,37,38)/b12-7+/t25-/m0
    /s1;
    XLVCNINDJUKQNE-FRHHVXPKSA-N    		 c1ccc2c(c1)CCN([C@@H]2C(=O)Nc3ccc(cc3)C(
    =O)O)C(=O)/C=C/c4cc(ccc4n5cnnn5)Cl; OC(=
    O)c1ccc(NC(=O)[C@H]2N(CCc3ccccc23)C(=O)\
    C=C\c4cc(Cl)ccc4n5cnnn5)cc1; c1ccc2c(c1)
    CCN(C2C(=O)Nc3ccc(cc3)C(=O)O)C(=O)C=Cc4c
    c(ccc4n5cnnn5)Cl; OC(=O)c1ccc(NC(=O)[CH]
    2N(CCc3ccccc23)C(=O)C=Cc4cc(Cl)ccc4n5cnn
    n5)cc1    		 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid
    15373
    BV0    		 7 C24 H25 N6 O3 InChI=1S/C24H24N6O3/c1-15
    -5-3-9-29-21(15)28-22-19(
    24(29)32)11-18(20(25)30(2
    2)14-17-7-4-10-33-17)23(3
    1)27-13-16-6-2-8-26-12-16
    /h2-3,5-6,8-9,11-12,17,25
    H,4,7,10,13-14H2,1H3,(H,2
    7,31)/p+1/t17-/m1/s1;
    XPXWHWPEIBBBCJ-QGZVFWFLSA-O    		 CC1=CC=CN2C(=O)c3cc(C(=O)NCc4cccnc4)c(N)
    [n+](C[CH]5CCCO5)c3N=C12; CC1=CC=CN2C(=O
    )c3cc(C(=O)NCc4cccnc4)c(N)[n+](C[C@H]5CC
    CO5)c3N=C12; CC1=CC=CN2C1=Nc3c(cc(c([n+]
    3CC4CCCO4)N)C(=O)NCc5cccnc5)C2=O; CC1=CC
    =CN2C1=Nc3c(cc(c([n+]3C[C@H]4CCCO4)N)C(=
    O)NCc5cccnc5)C2=O    		 6-azanyl-11-methyl-2-oxidanylidene-7-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)-1,9-diaza-7-azoniatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
    15374
    BV1
    DB04210    		 6 C50 H72 N10 O20 InChI=1S/C50H72N10O20/c61
    -27-35-39(63)43(67)45(69)
    49(79-35)77-33-23-29(21-3
    1(25-33)59(73)74)47(71)53
    -7-3-11-57-17-13-55(14-18
    -57)9-1-5-51-37-38(42(66)
    41(37)65)52-6-2-10-56-15-
    19-58(20-16-56)12-4-8-54-
    48(72)30-22-32(60(75)76)2
    6-34(24-30)78-50-46(70)44
    (68)40(64)36(28-62)80-50/
    h21-26,35-36,39-40,43-46,
    49-52,61-64,67-70H,1-20,2
    7-28H2,(H,53,71)(H,54,72)
    /t35-,36?,39+,40?,43+,44?
    ,45-,46?,49+,50?/m1/s1;
    WWGXKLSKKKQRMN-MLHPNDMTSA-N    		 c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)
    O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(=O)C
    4=O)NCCCN5CCN(CC5)CCCNC(=O)c6cc(cc(c6)OC
    7C(C(C(C(O7)CO)O)O)O)[N+](=O)[O-]; c1c(c
    c(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([C@H]([
    C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3CCN(CC
    3)CCCNC4=C(C(=O)C4=O)NCCCN5CCN(CC5)CCCNC
    (=O)c6cc(cc(c6)O[C@@H]7[C@@H]([C@@H]([C@
    @H]([C@@H](O7)CO)O)O)O)[N+](=O)[O-]; [O-
    ][N+](=O)c2cc(cc(OC1OC(CO)C(O)C(O)C1O)c2
    )C(=O)NCCCN3CCN(CC3)CCCNC=4C(=O)C(=O)C=4
    NCCCN5CCN(CC5)CCCNC(=O)c7cc(OC6OC(C(O)C(
    O)C6O)CO)cc([N+]([O-])=O)c7; OC[C@H]1O[C
    @H](Oc2cc(cc(c2)[N+]([O-])=O)C(=O)NCCCN3
    CCN(CCCNC4=C(NCCCN5CCN(CCCNC(=O)c6cc(OC7
    OC(CO)C(O)C(O)C7O)cc(c6)[N+]([O-])=O)CC5
    )C(=O)C4=O)CC3)[C@H](O)[C@@H](O)[C@H]1O;
    OC[CH]1O[CH](Oc2cc(cc(c2)[N+]([O-])=O)C
    (=O)NCCCN3CCN(CCCNC4=C(NCCCN5CCN(CCCNC(=
    O)c6cc(OC7OC(CO)C(O)C(O)C7O)cc(c6)[N+]([
    O-])=O)CC5)C(=O)C4=O)CC3)[CH](O)[CH](O)[
    CH]1O    		 [3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO] -2-(3-{4-[3-(3-NITRO-5-[GALACTOPYRANOSYLOXY]-BENZOYLAMINO)-PROPYL]-PIPERAZIN-1-YL} -PROPYL-AMINO)-3,4-DIOXO-CYCLOBUTENE;
    BV1
    15375
    BV2
    DB02574    		 7 C51 H79 N11 O22 InChI=1S/C51H79N11O22/c52
    -33(29-79-50(73)55-7-3-11
    -59-17-13-57(14-18-59)9-1
    -5-53-46(71)31-21-34(61(7
    5)76)25-36(23-31)81-48-44
    (69)42(67)40(65)38(27-63)
    83-48)30-80-51(74)56-8-4-
    12-60-19-15-58(16-20-60)1
    0-2-6-54-47(72)32-22-35(6
    2(77)78)26-37(24-32)82-49
    -45(70)43(68)41(66)39(28-
    64)84-49/h21-26,33,38-45,
    48-49,63-70H,1-20,27-30,5
    2H2,(H,53,71)(H,54,72)(H,
    55,73)(H,56,74)/t33?,38-,
    39?,40+,41?,42+,43?,44-,4
    5?,48+,49?/m1/s1;
    RJLCAAJYVGPDFG-LNGNCPBTSA-N    		 NC(COC(=O)NCCCN1CCN(CCCNC(=O)c2cc(O[CH]3
    O[CH](CO)[CH](O)[CH](O)[CH]3O)cc(c2)[N+]
    ([O-])=O)CC1)COC(=O)NCCCN4CCN(CCCNC(=O)c
    5cc(OC6OC(CO)C(O)C(O)C6O)cc(c5)[N+]([O-]
    )=O)CC4; [O-][N+](=O)c2cc(cc(OC1OC(CO)C(
    O)C(O)C1O)c2)C(=O)NCCCN3CCN(CC3)CCCNC(=O
    )OCC(N)COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c6c
    c(OC5OC(C(O)C(O)C5O)CO)cc([N+]([O-])=O)c
    6; c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2)
    CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC(=O)OCC
    (COC(=O)NCCCN4CCN(CC4)CCCNC(=O)c5cc(cc(c
    5)OC6C(C(C(C(O6)CO)O)O)O)[N+](=O)[O-])N;
    c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[C@@H]([
    C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O)NCCCN3
    CCN(CC3)CCCNC(=O)OCC(COC(=O)NCCCN4CCN(CC
    4)CCCNC(=O)c5cc(cc(c5)O[C@@H]6[C@@H]([C@
    @H]([C@@H]([C@@H](O6)CO)O)O)O)[N+](=O)[O
    -])N; NC(COC(=O)NCCCN1CCN(CCCNC(=O)c2cc(
    O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O
    )cc(c2)[N+]([O-])=O)CC1)COC(=O)NCCCN4CCN
    (CCCNC(=O)c5cc(OC6OC(CO)C(O)C(O)C6O)cc(c
    5)[N+]([O-])=O)CC4    		 1,3-BIS-([3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYL-AMINO]-CARBONYLOXY)-2-AMINO-PROPANE;
    BV2
    15376
    BV3
    DB02903    		 5 C63 H91 N15 O26 InChI=1S/C63H91N15O26/c64
    -37(33-99-62(93)71-11-9-6
    7-46-44(50(83)52(46)85)65
    -5-1-13-73-17-21-75(22-18
    -73)15-3-7-69-58(91)35-25
    -38(77(95)96)29-40(27-35)
    101-60-56(89)54(87)48(81)
    42(31-79)103-60)34-100-63
    (94)72-12-10-68-47-45(51(
    84)53(47)86)66-6-2-14-74-
    19-23-76(24-20-74)16-4-8-
    70-59(92)36-26-39(78(97)9
    8)30-41(28-36)102-61-57(9
    0)55(88)49(82)43(32-80)10
    4-61/h25-30,37,42-43,48-4
    9,54-57,60-61,65-68,79-82
    ,87-90H,1-24,31-34,64H2,(
    H,69,91)(H,70,92)(H,71,93
    )(H,72,94)/t37?,42-,43?,4
    8+,49?,54+,55?,56-,57?,60
    +,61?/m1/s1;
    HQTVCYHBYUXJDJ-ISUJOEFPSA-N    		 NC(COC(=O)NCCNC1=C(NCCCN2CCN(CCCNC(=O)c3
    cc(O[C@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H
    ]4O)cc(c3)[N+]([O-])=O)CC2)C(=O)C1=O)COC
    (=O)NCCNC5=C(NCCCN6CCN(CCCNC(=O)c7cc(OC8
    OC(CO)C(O)C(O)C8O)cc(c7)[N+]([O-])=O)CC6
    )C(=O)C5=O; c1c(cc(cc1[N+](=O)[O-])OC2C(
    C(C(C(O2)CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCC
    NC4=C(C(=O)C4=O)NCCNC(=O)OCC(COC(=O)NCCN
    C5=C(C(=O)C5=O)NCCCN6CCN(CC6)CCCNC(=O)c7
    cc(cc(c7)OC8C(C(C(C(O8)CO)O)O)O)[N+](=O)
    [O-])N; c1c(cc(cc1[N+](=O)[O-])O[C@@H]2[
    C@@H]([C@H]([C@H]([C@H](O2)CO)O)O)O)C(=O
    )NCCCN3CCN(CC3)CCCNC4=C(C(=O)C4=O)NCCNC(
    =O)OCC(COC(=O)NCCNC5=C(C(=O)C5=O)NCCCN6C
    CN(CC6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H
    ]([C@@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](
    =O)[O-])N; NC(COC(=O)NCCNC1=C(NCCCN2CCN(
    CCCNC(=O)c3cc(O[CH]4O[CH](CO)[CH](O)[CH]
    (O)[CH]4O)cc(c3)[N+]([O-])=O)CC2)C(=O)C1
    =O)COC(=O)NCCNC5=C(NCCCN6CCN(CCCNC(=O)c7
    cc(OC8OC(CO)C(O)C(O)C8O)cc(c7)[N+]([O-])
    =O)CC6)C(=O)C5=O; O=[N+]([O-])c2cc(cc(OC
    1OC(CO)C(O)C(O)C1O)c2)C(=O)NCCCN3CCN(CC3
    )CCCNC=4C(=O)C(=O)C=4NCCNC(=O)OCC(N)COC(
    =O)NCCNC=5C(=O)C(=O)C=5NCCCN6CCN(CC6)CCC
    NC(=O)c8cc(OC7OC(C(O)C(O)C7O)CO)cc([N+](
    [O-])=O)c8    		 1,3-BIS-([[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBU TENYL]-AMINO-ETHYL]-AMINO-CARBONYLOXY)-2-AMINO-PROPANE;
    BV3
    15377
    BV4
    DB02572    		 5 C79 H123 N15 O32 InChI=1S/C79H123N15O32/c8
    0-53(49-121-78(109)87-15-
    7-31-117-35-39-119-37-33-
    115-29-5-13-83-62-60(66(9
    9)68(62)101)81-9-1-17-89-
    21-25-91(26-22-89)19-3-11
    -85-74(107)51-41-54(93(11
    1)112)45-56(43-51)123-76-
    72(105)70(103)64(97)58(47
    -95)125-76)50-122-79(110)
    88-16-8-32-118-36-40-120-
    38-34-116-30-6-14-84-63-6
    1(67(100)69(63)102)82-10-
    2-18-90-23-27-92(28-24-90
    )20-4-12-86-75(108)52-42-
    55(94(113)114)46-57(44-52
    )124-77-73(106)71(104)65(
    98)59(48-96)126-77/h41-46
    ,53,58-59,64-65,70-73,76-
    77,81-84,95-98,103-106H,1
    -40,47-50,80H2,(H,85,107)
    (H,86,108)(H,87,109)(H,88
    ,110)/t53?,58-,59?,64+,65
    ?,70+,71?,72-,73?,76+,77?
    /m1/s1;
    BPHYTQORKHDHAH-OHNHNXIVSA-N    		 NC(COC(=O)NCCCOCCOCCOCCCNC1=C(NCCCN2CCN(
    CCCNC(=O)c3cc(O[CH]4O[CH](CO)[CH](O)[CH]
    (O)[CH]4O)cc(c3)[N+]([O-])=O)CC2)C(=O)C1
    =O)COC(=O)NCCCOCCOCCOCCCNC5=C(NCCCN6CCN(
    CCCNC(=O)c7cc(OC8OC(CO)C(O)C(O)C8O)cc(c7
    )[N+]([O-])=O)CC6)C(=O)C5=O; O=C4C(NCCCN
    1CCN(CC1)CCCNC(=O)c3cc([N+]([O-])=O)cc(O
    C2OC(CO)C(O)C(O)C2O)c3)=C(C4=O)NCCCOCCOC
    COCCCNC(=O)OCC(N)COC(=O)NCCCOCCOCCOCCCNC
    =5C(=O)C(=O)C=5NCCCN6CCN(CC6)CCCNC(=O)c8
    cc(OC7OC(C(O)C(O)C7O)CO)cc([N+]([O-])=O)
    c8; c1c(cc(cc1[N+](=O)[O-])OC2C(C(C(C(O2
    )CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(
    =O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)N
    CCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(C
    C6)CCCNC(=O)c7cc(cc(c7)OC8C(C(C(C(O8)CO)
    O)O)O)[N+](=O)[O-])N; c1c(cc(cc1[N+](=O)
    [O-])O[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2
    )CO)O)O)O)C(=O)NCCCN3CCN(CC3)CCCNC4=C(C(
    =O)C4=O)NCCCOCCOCCOCCCNC(=O)OCC(COC(=O)N
    CCCOCCOCCOCCCNC5=C(C(=O)C5=O)NCCCN6CCN(C
    C6)CCCNC(=O)c7cc(cc(c7)O[C@@H]8[C@@H]([C
    @@H]([C@@H]([C@@H](O8)CO)O)O)O)[N+](=O)[
    O-])N; NC(COC(=O)NCCCOCCOCCOCCCNC1=C(NCC
    CN2CCN(CCCNC(=O)c3cc(O[C@H]4O[C@H](CO)[C
    @H](O)[C@H](O)[C@H]4O)cc(c3)[N+]([O-])=O
    )CC2)C(=O)C1=O)COC(=O)NCCCOCCOCCOCCCNC5=
    C(NCCCN6CCN(CCCNC(=O)c7cc(OC8OC(CO)C(O)C
    (O)C8O)cc(c7)[N+]([O-])=O)CC6)C(=O)C5=O    		 1,3-BIS-([3-[3-[3-(4-{3-[3-NITRO-5-(GALACTOPYRANOSYLOXY)-BENZOYLAMINO]-PROPYL}-PIPERAZIN-1-YL)-PROPYLAMINO-3,4-DIOXO-CYCLOBUTENYL]-AMINO-PROPOXY-ETHOXY-ETHOXY]-PROPYL-]AMINO-CARBONYLOXY)-2-AMINO-PROPANE;
    BV4
    15378
    BV5
    ZINC000098208709    		 1 C15 H19 F3 N2 O4 S InChI=1S/C15H19F3N2O4S/c1
    6-15(17,18)24-12-3-1-2-4-
    13(12)25(22,23)20-14(21)6
    -5-11-7-9-19-10-8-11/h1-4
    ,11,19H,5-10H2,(H,20,21);
    GEYPQDLUWKGWHC-UHFFFAOYSA-N    		 FC(F)(F)Oc1ccccc1[S](=O)(=O)NC(=O)CCC2CC
    NCC2; FC(F)(F)Oc1ccccc1S(=O)(=O)NC(=O)CC
    C2CCNCC2; c1ccc(c(c1)OC(F)(F)F)S(=O)(=O)
    NC(=O)CCC2CCNCC2    		 3-(4-PIPERIDYL)-N-[2-(TRIFLUOROMETHOXY)PHENYL]SULFONYL-PROPANAMIDE
    15379
    BV6    		 1 C18 H25 N O12 S InChI=1S/C18H25NO12S/c20-
    5-9-11(22)13(24)14(25)18(
    31-9)32-16-12(23)10(6-21)
    30-17(15(16)26)29-8-3-1-7
    (2-4-8)19(27)28/h1-4,9-18
    ,20-26H,5-6H2/t9-,10+,11-
    ,12+,13+,14-,15+,16+,17-,
    18+/m1/s1;
    JHLJVHIWBCGKQZ-KZPLUMROSA-N    		 c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O
    )SC3C(C(C(C(O3)CO)O)O)O)O; c1cc(ccc1[N+]
    (=O)[O-])O[C@H]2[C@H]([C@H]([C@H]([C@@H]
    (O2)CO)O)S[C@H]3[C@@H]([C@H]([C@@H]([C@H
    ](O3)CO)O)O)O)O; OC[C@@H]1O[C@@H](Oc2ccc
    (cc2)[N+]([O-])=O)[C@@H](O)[C@@H](S[C@@H
    ]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@
    H]1O; OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])
    =O)[CH](O)[CH](S[CH]3O[CH](CO)[CH](O)[CH
    ](O)[CH]3O)[CH]1O    		 (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol
    15380
    BV7
    CHEMBL110858
    ZINC000004204051    		 1 C8 H15 N O2 InChI=1S/C8H15NO2/c10-8(1
    1)2-1-7-3-5-9-6-4-7/h7,9H
    ,1-6H2,(H,10,11);
    AUYQMCCWFNSFGV-UHFFFAOYSA-N    		 C1CNCCC1CCC(=O)O; O=C(O)CCC1CCNCC1; OC(=
    O)CCC1CCNCC1    		 3-(4-piperidyl)propanoic acid
    15381
    BV8    		 8 C47 H63 N11 O19 P2 S InChI=1S/C47H63N11O19P2S/
    c1-25(2)55-43(66)31(18-27
    -19-51-29-13-7-6-12-28(27
    )29)56-42(65)30(57-47(67)
    72-20-26-10-4-3-5-11-26)1
    4-8-9-16-49-46(50-17-15-3
    4(59)60)80-45-39(64)37(62
    )33(76-45)22-74-79(70,71)
    77-78(68,69)73-21-32-36(6
    1)38(63)44(75-32)58-24-54
    -35-40(48)52-23-53-41(35)
    58/h3-7,10-13,19,23-25,30
    -33,36-39,44-45,51,61-64H
    ,8-9,14-18,20-22H2,1-2H3,
    (H,49,50)(H,55,66)(H,56,6
    5)(H,57,67)(H,59,60)(H,68
    ,69)(H,70,71)(H2,48,52,53
    )/t30-,31-,32+,33+,36+,37
    +,38+,39+,44+,45+/m0/s1;
    GGZPCSBRGOFORP-PVLZSEPSSA-N    		 CC(C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O
    )[C@H](CCCCN=C(NCCC(O)=O)S[C@H]3O[C@H](C
    O[P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@H]([C@
    H](O)[C@@H]4O)n5cnc6c(N)ncnc56)[C@@H](O)
    [C@H]3O)NC(=O)OCc7ccccc7; CC(C)NC(=O)[CH
    ](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCCN=C(N
    CCC(O)=O)S[CH]3O[CH](CO[P](O)(=O)O[P](O)
    (=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N
    )ncnc56)[CH](O)[CH]3O)NC(=O)OCc7ccccc7;
    CC(C)NC(=O)C(Cc1c[nH]c2c1cccc2)NC(=O)C(C
    CCCN=C(NCCC(=O)O)SC3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)
    O)O)NC(=O)OCc7ccccc7; CC(C)NC(=O)[C@H](C
    c1c[nH]c2c1cccc2)NC(=O)[C@H](CCCC/N=C(/N
    CCC(=O)O)\S[C@@H]3[C@@H]([C@@H]([C@H](O3
    )COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]
    ([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)NC(=O)
    OCc7ccccc7    		 3-[[(~{Z})-~{C}-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]sulfanyl-~{N}-[(5~{S})-6-[[(2~{S})-3-(1~{H}-indol-3-yl)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]amino]-6-oxidanylidene-5-(phenylmethoxycarbonylamino)hexyl]carbonimidoyl]amino]propanoic acid
    15382
    BV9
    CHEMBL4457368    		 1 C16 H14 N4 O InChI=1S/C16H14N4O/c1-20-
    10-15(9-19-20)14-6-13(7-1
    8-8-14)11-2-4-12(5-3-11)1
    6(17)21/h2-10H,1H3,(H2,17
    ,21);
    MUFGPGISRVJPDN-UHFFFAOYSA-N    		 Cn1cc(cn1)c2cc(cnc2)c3ccc(cc3)C(=O)N; Cn
    1cc(cn1)c2cncc(c2)c3ccc(cc3)C(N)=O    		 4-[5-(1-methylpyrazol-4-yl)pyridin-3-yl]benzamide
    15383
    BVA    		 1 C7 H9 N O5 V InChI=1S/C7H6NO2.3H2O.V/c
    9-7(8-10)6-4-2-1-3-5-6;;;
    ;/h1-5H,(H-,8,9,10);3*1H2
    ;/q-1;;;;+4/p-3;
    YGVAPMMGCYHYQY-UHFFFAOYSA-K    		 c1ccc(cc1)C2=O[V](ON2)(O)(O)O; O[V](O)(O
    )ONC(=O)c1ccccc1    		 TRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATE
    15384
    BVB
    CHEMBL2208038
    ZINC000002561223    		 2 C14 H11 Br O2 InChI=1S/C14H11BrO2/c15-1
    2-5-3-10(4-6-12)1-2-11-7-
    13(16)9-14(17)8-11/h1-9,1
    6-17H/b2-1+;
    NCJVLKFAQIWASE-OWOJBTEDSA-N    		 c1cc(ccc1/C=C/c2cc(cc(c2)O)O)Br; Oc1cc(O
    )cc(C=Cc2ccc(Br)cc2)c1; Brc2ccc(/C=C/c1c
    c(O)cc(O)c1)cc2; c1cc(ccc1C=Cc2cc(cc(c2)
    O)O)Br; Oc1cc(O)cc(/C=C/c2ccc(Br)cc2)c1    		 5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol
    15385
    BVC
    CHEMBL252602
    ZINC000000158761    		 1 C5 H7 N S InChI=1S/C5H7NS/c6-3-5-1-
    2-7-4-5/h1-2,4H,3,6H2;
    DUDAKCCDHRNMDJ-UHFFFAOYSA-N    		 c1cscc1CN; NCc1cscc1; s1ccc(c1)CN 1-THIEN-3-YLMETHANAMINE;
    3-THIENYLMETHYLAMINE
    15386
    BVD
    CHEMBL31634
    DB03312
    ZINC000003653378    		 6 C11 H13 Br N2 O5 InChI=1S/C11H13BrN2O5/c12
    -2-1-6-4-14(11(18)13-10(6
    )17)9-3-7(16)8(5-15)19-9/
    h1-2,4,7-9,15-16H,3,5H2,(
    H,13,17,18)/b2-1+/t7-,8+,
    9+/m0/s1;
    ODZBBRURCPAEIQ-PIXDULNESA-N    		 OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(\C=C\Br)C
    (=O)NC2=O; OC[CH]1O[CH](C[CH]1O)N2C=C(C=
    CBr)C(=O)NC2=O; C1C(C(OC1N2C=C(C(=O)NC2=
    O)C=CBr)CO)O; C1[C@@H]([C@H](O[C@H]1N2C=
    C(C(=O)NC2=O)\C=C\Br)CO)O; Br[C@H]=CC=1C
    (=O)NC(=O)N(C=1)C2OC(C(O)C2)CO    		 5-BROMOVINYLDEOXYURIDINE
    15387
    BVE
    CHEMBL1184537
    ZINC000027999454    		 1 C31 H27 N2 O2 S InChI=1S/C31H27N2O2S/c32-
    36(34,35)29-18-16-24(17-1
    9-29)20-21-33-30(26-12-6-
    2-7-13-26)22-28(25-10-4-1
    -5-11-25)23-31(33)27-14-8
    -3-9-15-27/h1-19,22-23H,2
    0-21H2,(H2,32,34,35)/q+1;
    PORBWRYRABBHDX-UHFFFAOYSA-N    		 c1ccc(cc1)c2cc([n+](c(c2)c3ccccc3)CCc4cc
    c(cc4)S(=O)(=O)N)c5ccccc5; N[S](=O)(=O)c
    1ccc(CC[n+]2c(cc(cc2c3ccccc3)c4ccccc4)c5
    ccccc5)cc1    		 4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide
    15388
    BVF
    CHEMBL40833
    ZINC000000149580    		 4 C6 H8 N2 InChI=1S/C6H8N2/c1-5-2-3-
    8-6(7)4-5/h2-4H,1H3,(H2,7
    ,8);
    ORLGLBZRQYOWNA-UHFFFAOYSA-N    		 n1ccc(cc1N)C; Cc1ccnc(c1)N; Cc1ccnc(N)c1 4-METHYLPYRIDIN-2-AMINE;
    2-AMINO-4-PICOLINE
    15389
    BVG
    ZINC000002509361    		 1 C4 H6 N2 O InChI=1S/C4H6N2O/c7-3-4-5
    -1-2-6-4/h1-2,7H,3H2,(H,5
    ,6);
    ZOMATQMEHRJKLO-UHFFFAOYSA-N    		 OCc1[nH]ccn1; c1cnc([nH]1)CO; OCc1nccn1 1H-IMIDAZOL-2-YLMETHANOL
    15390
    BVH    		 3 C8 H14 O2 InChI=1S/C8H14O2/c1-2-6-3
    -4-7(9)8(10)5-6/h2,6-10H,
    1,3-5H2/t6-,7+,8+/m0/s1;
    BSJHRRSHDADBTA-XLPZGREQSA-N    		 C1(CCC(\C=C)CC1O)O; O[C@@H]1CC[C@@H](C[C
    @H]1O)C=C; C=C[C@H]1CC[C@H]([C@@H](C1)O)
    O; C=CC1CCC(C(C1)O)O; O[CH]1CC[CH](C[CH]
    1O)C=C    		 (1R,2R,4S)-4-ethenylcyclohexane-1,2-diol
    15391
    BVI
    CHEMBL5089933    		 1 C20 H23 N5 O InChI=1S/C20H23N5O/c1-13-
    18(12-22-25(13)16-7-9-26-
    10-8-16)23-20-21-11-15-3-
    2-4-17(14-5-6-14)19(15)24
    -20/h2-4,11-12,14,16H,5-1
    0H2,1H3,(H,21,23,24);
    FQSXQNNVERFAFF-UHFFFAOYSA-N    		 Cc1c(cnn1C2CCOCC2)Nc3ncc4cccc(c4n3)C5CC5
    ; Cc1n(ncc1Nc2ncc3cccc(C4CC4)c3n2)C5CCOC
    C5; Cc1n(ncc1Nc1nc2c(cccc2cn1)C1CC1)C1CC
    OCC1    		 8-cyclopropyl-N-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]quinazolin-2-amine
    15392
    BVJ
    CHEMBL4081335    		 1 C28 H23 Cl F N7 O4 InChI=1S/C28H23ClFN7O4/c1
    -41-28(40)33-19-8-6-18(7-
    9-19)32-27(39)26-20-5-3-2
    -4-17(20)14-15-36(26)24(3
    8)13-10-21-23(37-16-31-34
    -35-37)12-11-22(29)25(21)
    30/h2-13,16,26H,14-15H2,1
    H3,(H,32,39)(H,33,40)/b13
    -10+/t26-/m0/s1;
    VNRXJEHYEMPJMV-ITMPFJHPSA-N    		 COC(=O)Nc1ccc(cc1)NC(=O)C2c3ccccc3CCN2C(
    =O)C=Cc4c(ccc(c4F)Cl)n5cnnn5; COC(=O)Nc1
    ccc(NC(=O)[CH]2N(CCc3ccccc23)C(=O)C=Cc4c
    (F)c(Cl)ccc4n5cnnn5)cc1; COC(=O)Nc1ccc(N
    C(=O)[C@H]2N(CCc3ccccc23)C(=O)/C=C/c4c(F
    )c(Cl)ccc4n5cnnn5)cc1; COC(=O)Nc1ccc(cc1
    )NC(=O)[C@@H]2c3ccccc3CCN2C(=O)/C=C/c4c(
    ccc(c4F)Cl)n5cnnn5    		 methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate
    15393
    BVK
    ZINC000004202809    		 0 C9 H11 N O2 InChI=1S/C9H11NO2/c10-6-8
    -3-1-7(2-4-8)5-9(11)12/h1
    -4H,5-6,10H2,(H,11,12);
    HAAUVXXFRQXTTQ-UHFFFAOYSA-N    		 NCc1ccc(CC(O)=O)cc1; c1cc(ccc1CC(=O)O)CN 2-[4-(aminomethyl)phenyl]ethanoic acid
    15394
    BVL
    CHEMBL1231518
    DB07500
    ZINC000019816069    		 1 C21 H22 O4 InChI=1S/C21H22O4/c1-14(2
    )4-8-16-12-18(20(24)13-21
    (16)25-3)19(23)11-7-15-5-
    9-17(22)10-6-15/h4-7,9-13
    ,22,24H,8H2,1-3H3/b11-7+;
    ZUGCRBMNFSAUOC-YRNVUSSQSA-N    		 COc1cc(O)c(cc1CC=C(C)C)C(=O)C=Cc2ccc(O)c
    c2; COc1cc(O)c(cc1CC=C(C)C)C(=O)/C=C/c2c
    cc(O)cc2; CC(=CCc1cc(c(cc1OC)O)C(=O)C=Cc
    2ccc(cc2)O)C; O=C(c1c(O)cc(OC)c(c1)C\C=C
    (/C)C)\C=C\c2ccc(O)cc2; CC(=CCc1cc(c(cc1
    OC)O)C(=O)\C=C\c2ccc(cc2)O)C    		 (2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;
    (E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
    15395
    BVM    		 1 C36 H34 Cl N7 O7 InChI=1S/C36H34ClN7O7/c1-
    2-51-36(50)24-5-4-17-42(2
    0-24)34(47)29-7-3-6-28-27
    (29)16-18-43(32(28)33(46)
    39-26-12-8-22(9-13-26)35(
    48)49)31(45)15-10-23-19-2
    5(37)11-14-30(23)44-21-38
    -40-41-44/h3,6-15,19,21,2
    4,32H,2,4-5,16-18,20H2,1H
    3,(H,39,46)(H,48,49)/b15-
    10+/t24-,32-/m0/s1;
    ZDVKEWAKPHMOKV-WTBNABMMSA-N    		 CCOC(=O)C1CCCN(C1)C(=O)c2cccc3c2CCN(C3C(
    =O)Nc4ccc(cc4)C(=O)O)C(=O)C=Cc5cc(ccc5n6
    cnnn6)Cl; CCOC(=O)[C@H]1CCCN(C1)C(=O)c2c
    ccc3c2CCN([C@@H]3C(=O)Nc4ccc(cc4)C(=O)O)
    C(=O)/C=C/c5cc(ccc5n6cnnn6)Cl; CCOC(=O)[
    C@H]1CCCN(C1)C(=O)c2cccc3[C@H](N(CCc23)C
    (=O)\C=C\c4cc(Cl)ccc4n5cnnn5)C(=O)Nc6ccc
    (cc6)C(O)=O; CCOC(=O)[CH]1CCCN(C1)C(=O)c
    2cccc3[CH](N(CCc23)C(=O)C=Cc4cc(Cl)ccc4n
    5cnnn5)C(=O)Nc6ccc(cc6)C(O)=O    		 4-[[(1~{S})-2-[(~{E})-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-5-[(3~{S})-3-ethoxycarbonylpiperidin-1-yl]carbonyl-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]benzoic acid
    15396
    BVN
    ZINC000008782981    		 1 C22 H27 N3 O5 InChI=1S/C22H27N3O5/c1-3-
    24(4-2)15-16-30-22(27)18-
    5-9-19(10-6-18)23-14-13-2
    1(26)17-7-11-20(12-8-17)2
    5(28)29/h5-12,23H,3-4,13-
    16H2,1-2H3;
    GUFSHTOIIPHZRF-UHFFFAOYSA-N    		 CCN(CC)CCOC(=O)c1ccc(NCCC(=O)c2ccc(cc2)[
    N+]([O-])=O)cc1; CCN(CC)CCOC(=O)c1ccc(cc
    1)NCCC(=O)c2ccc(cc2)[N+](=O)[O-]    		 2-(diethylamino)ethyl 4-((3-(4-nitrophenyl)-3-oxopropyl)amino)benzoate
    15397
    BVO
    CHEMBL4637493    		 1 C23 H13 F2 N3 O3 InChI=1S/C23H13F2N3O3/c24
    -17-9-14(10-18(25)19(17)1
    3-5-3-4-12(8-13)11-29)28-
    21-20(26-27-28)22(30)15-6
    -1-2-7-16(15)23(21)31/h1-
    10,29H,11H2;
    INHJBTZMBKOVDA-UHFFFAOYSA-N    		 OCc1cccc(c1)c2c(F)cc(cc2F)n3nnc4C(=O)c5c
    cccc5C(=O)c34; c1ccc2c(c1)C(=O)c3c(n(nn3
    )c4cc(c(c(c4)F)c5cccc(c5)CO)F)C2=O    		 3-[3,5-bis(fluoranyl)-4-[3-(hydroxymethyl)phenyl]phenyl]benzo[f]benzotriazole-4,9-dione
    15398
    BVP
    CHEMBL1231519
    DB04438    		 16 C11 H14 Br N2 O8 P InChI=1S/C11H14BrN2O8P/c1
    2-2-1-6-4-14(11(17)13-10(
    6)16)9-3-7(15)8(22-9)5-21
    -23(18,19)20/h1-2,4,7-9,1
    5H,3,5H2,(H,13,16,17)(H2,
    18,19,20)/b2-1+/t7-,8+,9+
    /m0/s1;
    LKWCVKAHHUJPQO-PIXDULNESA-N    		 C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)\
    C=C\Br)COP(=O)(O)O)O; O[CH]1C[CH](O[CH]1
    CO[P](O)(O)=O)N2C=C(C=CBr)C(=O)NC2=O; C1
    C(C(OC1N2C=C(C(=O)NC2=O)C=CBr)COP(=O)(O)
    O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=
    O)N2C=C(\C=C\Br)C(=O)NC2=O; Br[C@H]=CC=1
    C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O    		 (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE;
    BVDU-MP
    15399
    BVQ    		 38 C57 H82 Co N16 O14 P InChI=1S/C57H83N16O14P.Co
    /c1-26-42-29(10-13-36(59)
    76)53(3,4)34(70-42)20-32-
    28(9-12-35(58)75)55(6,21-
    39(62)79)48(69-32)27(2)43
    -30(11-14-37(60)77)56(7,2
    2-40(63)80)57(8,72-43)49-
    31(19-38(61)78)54(5,47(26
    )71-49)16-15-41(81)65-17-
    18-85-88(83,84)87-46-33(2
    3-74)86-52(45(46)82)73-25
    -68-51-44(73)50(64)66-24-
    67-51;/h20,24-25,28-31,33
    ,45-46,49,52,74,82H,9-19,
    21-23H2,1-8H3,(H17,58,59,
    60,61,62,63,64,65,66,67,6
    9,70,71,72,75,76,77,78,79
    ,80,81,83,84);/q;+6/p-1/t
    28-,29-,30-,31+,33-,45-,4
    6-,49-,52+,54-,55+,56+,57
    +;/m1./s1;
    XZMFKDUDYMLUGK-GVNDBXLGSA-M    		 CC1=C2C(C(C3=CC4=[N+]5C(=C(C6=[N+]7[Co+2
    ]5(N32)[N+]8=C1C(C(C8C7(C(C6CCC(=O)N)(C)
    CC(=O)N)C)CC(=O)N)(C)CCC(=O)NCCOP(=O)(O)
    OC9C(OC(C9O)n1cnc2c1c(ncn2)N)CO)C)C(C4CC
    C(=O)N)(C)CC(=O)N)(C)C)CCC(=O)N; CC1=C2[
    C@@H](CCC(N)=O)C(C)(C)C3=CC4=[N@+]5C(=C(
    C)C6=[N@+]7[C@@](C)([C@H]8[C@H](CC(N)=O)
    [C@@](C)(CCC(=O)NCCO[P](O)(=O)O[C@H]9[C@
    @H](O)[C@H](O[C@@H]9CO)n%10cnc%11ncnc(N)
    c%10%11)C1=[N@+]8[Co@++]57[N@]23)[C@@](C
    )(CC(N)=O)[C@@H]6CCC(N)=O)[C@@](C)(CC(N)
    =O)[C@@H]4CCC(N)=O; CC1=C2[C@@]([C@@H](C
    3=[N+]2[Co@@+2]45N6C(=C3)C([C@@H](C6=C(C
    7=[N+]4[C@H]([C@@H]([C@@]7(C)CCC(=O)NCCO
    P(=O)(O)O[C@@H]8[C@H](O[C@@H]([C@@H]8O)n
    9cnc2c9c(ncn2)N)CO)CC(=O)N)[C@@]2([N+]5=
    C1[C@H]([C@]2(C)CC(=O)N)CCC(=O)N)C)C)CCC
    (=O)N)(C)C)CCC(=O)N)(C)CC(=O)N; CC1=C2[C
    H](CCC(N)=O)C(C)(C)C3=CC4=[N+]5C(=C(C)C6
    =[N+]7[C](C)([CH]8[CH](CC(N)=O)[C](C)(CC
    C(=O)NCCO[P](O)(=O)O[CH]9[CH](O)[CH](O[C
    H]9CO)n%10cnc%11ncnc(N)c%10%11)C1=[N+]8[
    Co++]57[N]23)[C](C)(CC(N)=O)[CH]6CCC(N)=
    O)[C](C)(CC(N)=O)[CH]4CCC(N)=O    		 NORPSEUDO-B12
    15400
    BVR    		 4 C27 H36 B N2 O9 S InChI=1S/C27H36BN2O9S/c1-
    18(2)15-30(40(35,36)21-10
    -8-20(9-11-21)28(33)34)16
    -24(31)23(14-19-6-4-3-5-7
    -19)29-27(32)39-25-17-38-
    26-22(25)12-13-37-26/h3-1
    1,18,22-26,31,33H,12-17H2
    ,1-2H3,(H,29,32)/t22-,23-
    ,24+,25-,26+/m0/s1;
    QKKZROKMILDVQY-HEXNFIEUSA-N    		 B(=O)(c1ccc(cc1)S(=O)(=O)N(C[C@H]([C@H](
    Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CC
    O4)O)CC(C)C)O; CC(C)CN(C[CH](O)[CH](Cc1c
    cccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=
    O)(=O)c4ccc(cc4)[B](O)=O; B(=O)(c1ccc(cc
    1)S(=O)(=O)N(CC(C)C)CC(C(Cc2ccccc2)NC(=O
    )OC3COC4C3CCO4)O)O; CC(C)CN(C[C@@H](O)[C
    @H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C
    @@H]23)[S](=O)(=O)c4ccc(cc4)[B](O)=O
    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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