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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    16001 BOY 1 C8 H11 O4 P InChI=1S/C8H11O4P/c1-6-2-
    4-7(5-3-6)8(9)13(10,11)12
    /h2-5,8-9H,1H3,(H2,10,11,
    12)/t8-/m1/s1;
    AFOAUCXHAIELNA-MRVPVSSYSA-N    		 Cc1ccc(cc1)[C@H](O)[P](O)(O)=O; Cc1ccc(c
    c1)C(P(O)(O)=O)O; Cc1ccc(cc1)[C@H](O)P(=
    O)(O)O; Cc1ccc(cc1)[CH](O)[P](O)(O)=O; C
    c1ccc(cc1)C(O)P(=O)(O)O    		 [(R)-hydroxy(4-methylphenyl)methyl]phosphonic acid
    16002 BOZ
    DB03443    		 1 C17 H18 N8 O Zn InChI=1S/C17H18N8O.Zn/c18
    -14(19)7-1-3-9-11(5-7)24-
    16(22-9)13(26)17-23-10-4-
    2-8(15(20)21)6-12(10)25-1
    7;/h1-6,14-15H,18-21H2,(H
    ,22,24)(H,23,25);/q;+2;
    ZZTKUHCUDLEGEN-UHFFFAOYSA-N    		 c1cc2c(cc1C(N)N)NC3=[N]2[Zn+2][N]4=C(C3=
    O)Nc5c4ccc(c5)C(N)N; [Zn++].NC(N)c1ccc2n
    c([nH]c2c1)C(=O)c3[nH]c4cc(ccc4n3)C(N)N    		 BIS(5-AMIDINO-BENZIMIDAZOLYL)METHANONE ZINC
    16003 BP 0 C20 H16 O3 InChI=1/C20H16O3/c21-16-9
    -14-13-7-6-11-3-1-2-10-4-
    5-12(18(13)17(10)11)8-15(
    14)19(22)20(16)23/h1-8,16
    ,19-23H,9H2/t16-,19-,20-/
    m1/s1;
    GFANZDFKCCJYRF-NSISKUIABV    		 c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H
    ]([C@@H]4O)O)O; O[C@@H]1Cc2c(cc3ccc4cccc
    5ccc2c3c45)[C@@H](O)[C@@H]1O; c1cc2ccc3c
    c4c(c5c3c2c(c1)cc5)CC(C(C4O)O)O; O[CH]1C
    c2c(cc3ccc4cccc5ccc2c3c45)[CH](O)[CH]1O;
    OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O    		 (-)-7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE
    16004 BP0
    CHEMBL2177758
    ZINC000001663350    		 1 C8 H12 N6 S3 InChI=1S/C8H12N6S3/c9-7-1
    3-11-5(16-7)1-3-15-4-2-6-
    12-14-8(10)17-6/h1-4H2,(H
    2,9,13)(H2,10,14);
    AOAQKDDVWLOZFV-UHFFFAOYSA-N    		 S(CCc1nnc(s1)N)CCc2nnc(s2)N; C(CSCCc1nnc
    (s1)N)c2nnc(s2)N; Nc1sc(CCSCCc2sc(N)nn2)
    nn1    		 5,5'-(sulfanediyldiethane-2,1-diyl)bis(1,3,4-thiadiazol-2-amine)
    16005 BP1
    DB02168
    ZINC000005783717    		 3 C5 H3 Br N4 InChI=1S/C5H3BrN4/c6-4-3-
    5(9-1-7-3)10-2-8-4/h1-2H,
    (H,7,8,9,10);
    CTGFGRDVWBZYNB-UHFFFAOYSA-N    		 Brc1ncnc2nc[nH]c12; c1[nH]c2c(n1)ncnc2Br
    ; Brc1ncnc2ncnc12    		 6-BROMO-7H-PURINE;
    BROMOPURINE
    16006 BP2 2 C10 H17 O7 P2 InChI=1S/C10H20O7P2/c1-9(
    2)7-4-5-10(9,3)8(6-7)16-1
    9(14,15)17-18(11,12)13/h7
    -8H,4-6H2,1-3H3,(H,14,15)
    (H2,11,12,13)/p-3/t7-,8+,
    10+/m1/s1;
    VZPAJODTZAAANV-WEDXCCLWSA-K    		 CC1(C2CCC1(C(C2)OP(=O)([O-])OP(=O)([O-])
    [O-])C)C; CC1(C)[C@@H]2CC[C@@]1(C)[C@H](
    C2)O[P]([O-])(=O)O[P]([O-])([O-])=O; CC1
    ([C@@H]2CC[C@]1([C@H](C2)O[P@](=O)([O-])
    OP(=O)([O-])[O-])C)C; CC1(C)[CH]2CC[C]1(
    C)[CH](C2)O[P]([O-])(=O)O[P]([O-])([O-])
    =O    		 (+)-BORNYL DIPHOSPHATE
    16007 BP3
    DB01925    		 2 C12 H9 Cl O2 InChI=1S/C12H9ClO2/c13-10
    -6-2-1-4-8(10)9-5-3-7-11(
    14)12(9)15/h1-7,14-15H;
    SNGROCQMAKYWRE-UHFFFAOYSA-N    		 Clc2ccccc2c1c(O)c(O)ccc1; c1ccc(c(c1)c2c
    ccc(c2O)O)Cl; Oc1cccc(c1O)c2ccccc2Cl    		 2'-CHLORO-BIPHENYL-2,3-DIOL
    16008 BP4
    CHEMBL413965
    DB07477
    ZINC000000002318    		 2 C14 H12 O2 InChI=1S/C14H12O2/c15-14(
    16)10-11-6-8-13(9-7-11)12
    -4-2-1-3-5-12/h1-9H,10H2,
    (H,15,16);
    QRZAKQDHEVVFRX-UHFFFAOYSA-N    		 OC(=O)Cc1ccc(cc1)c2ccccc2; c1ccc(cc1)c2c
    cc(cc2)CC(=O)O; O=C(O)Cc1ccc(cc1)c2ccccc
    2    		 biphenyl-4-ylacetic acid
    16009 BP5
    ZINC000016052406    		 1 C13 H13 N3 O2 InChI=1S/C13H13N3O2/c14-1
    0(13(17)18)7-9-4-5-12(16-
    8-9)11-3-1-2-6-15-11/h1-6
    ,8,10H,7,14H2,(H,17,18)/t
    10-/m0/s1;
    VWTQURBMIRJISI-JTQLQIEISA-N    		 N[C@@H](Cc1ccc(nc1)c2ccccn2)C(O)=O; N[CH
    ](Cc1ccc(nc1)c2ccccn2)C(O)=O; O=C(O)C(N)
    Cc2cnc(c1ncccc1)cc2; c1ccnc(c1)c2ccc(cn2
    )CC(C(=O)O)N; c1ccnc(c1)c2ccc(cn2)C[C@@H
    ](C(=O)O)N    		 3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE
    16010 BP6
    DB03259
    ZINC000002047793    		 2 C12 H8 Cl2 O2 InChI=1S/C12H8Cl2O2/c13-8
    -4-2-5-9(14)11(8)7-3-1-6-
    10(15)12(7)16/h1-6,15-16H;
    MCZUCSAAGDCHHN-UHFFFAOYSA-N    		 c1cc(c(c(c1)O)O)c2c(cccc2Cl)Cl; Oc1cccc(
    c1O)c2c(Cl)cccc2Cl; Clc2cccc(Cl)c2c1c(O)
    c(O)ccc1    		 2',6'-DICHLORO-BIPHENYL-2,6-DIOL
    16011 BP7
    CHEMBL475398
    DB07478
    ZINC000000436616    		 7 C12 H10 O2 InChI=1S/C12H10O2/c13-11-
    7-6-10(8-12(11)14)9-4-2-1
    -3-5-9/h1-8,13-14H;
    QDNPCYCBQFHNJC-UHFFFAOYSA-N    		 Oc1ccc(cc1O)c2ccccc2; c1ccc(cc1)c2ccc(c(
    c2)O)O; Oc2ccc(c1ccccc1)cc2O    		 1,1'-BIPHENYL-3,4-DIOL;
    3,4-DIHYDROXYBIPHENYL
    16012 BP8
    CHEMBL1704892
    ZINC000002898271    		 1 C9 H14 N6 S2 InChI=1S/C9H14N6S2/c10-8-
    14-12-6(16-8)4-2-1-3-5-7-
    13-15-9(11)17-7/h1-5H2,(H
    2,10,14)(H2,11,15);
    KEOUOMDZUGENOX-UHFFFAOYSA-N    		 C(CCc1nnc(s1)N)CCc2nnc(s2)N; n1nc(sc1CCC
    CCc2nnc(s2)N)N; Nc1sc(CCCCCc2sc(N)nn2)nn
    1    		 5,5'-pentane-1,5-diylbis(1,3,4-thiadiazol-2-amine)
    16013 BP9
    ZINC000095837056    		 1 C8 H12 N6 S2 InChI=1S/C8H12N6S2/c9-7-1
    3-11-5(15-7)3-1-2-4-6-12-
    14-8(10)16-6/h1-4H2,(H2,9
    ,13)(H2,10,14);
    FXLSMCSUYSZCFA-UHFFFAOYSA-N    		 Nc1sc(CCCCc2sc(N)nn2)nn1; C(CCc1nnc(s1)N
    )Cc2nnc(s2)N; n1nc(sc1CCCCc2nnc(s2)N)N    		 5,5'-butane-1,4-diylbis(1,3,4-thiadiazol-2-amine)
    16014 BPA 0 C20 H16 O3 InChI=1S/C20H16O3/c21-16-
    9-14-13-7-6-11-3-1-2-10-4
    -5-12(18(13)17(10)11)8-15
    (14)19(22)20(16)23/h1-8,1
    6,19-23H,9H2/t16-,19+,20+
    /m1/s1;
    GFANZDFKCCJYRF-UXPWSPDFSA-N    		 c1cc2ccc3cc4c(c5c3c2c(c1)cc5)CC(C(C4O)O)
    O; O[C@@H]1Cc2c(cc3ccc4cccc5ccc2c3c45)[C
    @H](O)[C@H]1O; c1cc2ccc3cc4c(c5c3c2c(c1)
    cc5)C[C@H]([C@@H]([C@H]4O)O)O; O[CH]1Cc2
    c(cc3ccc4cccc5ccc2c3c45)[CH](O)[CH]1O; O
    C5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O    		 7S,8R,9R-TRIHYDROXY-7,8,9,10-TETRAHYDRO BENZO[A]PYRENE
    16015 BPB 187 C55 H74 N4 O6 InChI=1S/C55H74N4O6/c1-13
    -39-34(7)41-29-46-48(38(1
    1)60)36(9)43(57-46)27-42-
    35(8)40(52(58-42)50-51(55
    (63)64-12)54(62)49-37(10)
    44(59-53(49)50)28-45(39)5
    6-41)23-24-47(61)65-26-25
    -33(6)22-16-21-32(5)20-15
    -19-31(4)18-14-17-30(2)3/
    h13,25,27-32,34-35,40,51,
    57,59H,14-24,26H2,1-12H3/
    b33-25+,39-13+,41-29-,42-
    27-,43-27-,44-28-,45-28-,
    46-29-,52-50-/t31-,32-,34
    -,35+,40+,51-/m1/s1;
    SFKCKJXMIAKQMY-GTTFDWDMSA-N    		 COC(=O)[CH]1C(=O)c2c(C)c3[nH]c2c1c4nc(cc
    5[nH]c(cc6nc(c3)C(=CC)[CH]6C)c(C(C)=O)c5
    C)[CH](C)[CH]4CCC(=O)OCC=C(C)CCC[CH](C)C
    CC[CH](C)CCCC(C)C; COC(=O)[C@H]1C(=O)c2c
    (C)c3[nH]c2c1c4nc(cc5[nH]c(cc6nc(c3)C(=C
    /C)/[C@H]6C)c(C(C)=O)c5C)[C@@H](C)[C@@H]
    4CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)
    CCCC(C)C; O=C(OC\C=C(/C)CCCC(C)CCCC(C)CC
    CC(C)C)CCC6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc
    (cc3c(c2C(=O)C(c4c2n3)C(=O)OC)C)/C(=C/C)
    C5C)C)C6C; CC=C1c2cc3c(c4c([nH]3)c(c5nc(
    cc6c(c(c([nH]6)cc(n2)C1C)C(=O)C)C)C(C5CC
    C(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(
    C4=O)C(=O)OC)C; C/C=C\1/c2/cc\3/c(c4c([n
    H]3)c(c5n/c(c\c6c(c(c([nH]6)/cc(\n2)/C1C
    )C(=O)C)C)/C(C5CCC(=O)OC/C=C(\C)/CCCC(C)
    CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C    		 BACTERIOPHEOPHYTIN B
    16016 BPC 0 C20 H16 O3 InChI=1/C20H16O3/c21-16-9
    -14-13-7-6-11-3-1-2-10-4-
    5-12(18(13)17(10)11)8-15(
    14)19(22)20(16)23/h1-8,16
    ,19-23H,9H2/t16-,19-,20-/
    m1/s1;
    GFANZDFKCCJYRF-NSISKUIABV    		 c1cc2ccc3cc4c(c5c3c2c(c1)cc5)C[C@H]([C@H
    ]([C@@H]4O)O)O; O[C@@H]1Cc2c(cc3ccc4cccc
    5ccc2c3c45)[C@@H](O)[C@@H]1O; c1cc2ccc3c
    c4c(c5c3c2c(c1)cc5)CC(C(C4O)O)O; O[CH]1C
    c2c(cc3ccc4cccc5ccc2c3c45)[CH](O)[CH]1O;
    OC5c2c(c1ccc4c3c1c(c2)ccc3ccc4)CC(O)C5O    		 (7R,8R,9R)-7,8,9,10-TETRAHYDROBENZO[DEF]CHRYSENE-7,8,9-TRIOL
    16017 BPD
    DB02698
    ZINC000003873792    		 1 C21 H12 F3 N O5 InChI=1S/C21H12F3NO5/c22-
    21(23,24)11-4-1-5-12(10-1
    1)25-15-8-2-6-13(19(26)27
    )17(15)30-18-14(20(28)29)
    7-3-9-16(18)25/h1-10H,(H,
    26,27)(H,28,29);
    NQOOJFXBGLOGTC-UHFFFAOYSA-N    		 c1cc(cc(c1)N2c3cccc(c3Oc4c2cccc4C(=O)O)C
    (=O)O)C(F)(F)F; FC(F)(F)c4cc(N1c3c(Oc2c1
    cccc2C(=O)O)c(ccc3)C(=O)O)ccc4; OC(=O)c1
    cccc2N(c3cccc(c3)C(F)(F)F)c4cccc(C(O)=O)
    c4Oc12    		 N-(M-TRIFLUOROMETHYLPHENYL) PHENOXAZINE-4,6-DICARBOXYLIC ACID
    16018 BPE
    DB04648
    ZINC000012504449    		 0 C6 H16 N2 O S InChI=1S/C6H16N2OS/c7-2-1
    -3-10-5-6(8)4-9/h6,9H,1-5
    ,7-8H2/t6-/m1/s1;
    RYOVYWMBACBGOD-ZCFIWIBFSA-N    		 C(CN)CSC[C@@H](CO)N; OCC(N)CSCCCN; NCCCS
    C[CH](N)CO; NCCCSC[C@H](N)CO; C(CN)CSCC(
    CO)N    		 (2S)-2-AMINO-3-[(3-AMINOPROPYL)SULFANYL]PROPAN-1-OL;
    S-PROPYLAMINE-L-CYSTEINE
    16019 BPF 0 C22 H26 N4 O InChI=1S/C22H24N4O/c1-3-2
    5-21(23)17-9-5-15(6-10-17
    )19-13-14-20(27-19)16-7-1
    1-18(12-8-16)22(24)26-4-2
    /h5-14H,3-4H2,1-2H3,(H2,2
    3,25)(H2,24,26)/p+2;
    UDRBFQQQLONWPG-UHFFFAOYSA-P    		 CC[NH+]=C(N)c1ccc(cc1)c2oc(cc2)c3ccc(cc3
    )C(N)=[NH+]CC; o1c(ccc1c2ccc(/C(=[NH+]/C
    C)N)cc2)c3ccc(C(=[NH+]/CC)/N)cc3; CC/[NH
    +]=C(\N)/c1ccc(cc1)c2oc(cc2)c3ccc(cc3)/C
    (=[NH+]/CC)/N; CC[NH+]=C(c1ccc(cc1)c2ccc
    (o2)c3ccc(cc3)C(=[NH+]CC)N)N    		 N,N'-(furan-2,5-diylbis{benzene-4,1-diyl[(Z)-aminomethylylidene]})diethanaminium;
    DB185;
    FURAMIDINE DERIVATIVE
    16020 BPG
    CHEMBL406254
    DB02495    		 2 C15 H17 N5 O2 InChI=1S/C15H17N5O2/c21-9
    -5-4-8-20-10-16-12-13(20)
    18-15(19-14(12)22)17-11-6
    -2-1-3-7-11/h1-3,6-7,10,2
    1H,4-5,8-9H2,(H2,17,18,19
    ,22);
    JHBXNPBKSPYOFT-UHFFFAOYSA-N    		 O=C1c3ncn(c3N=C(N1)Nc2ccccc2)CCCCO; OCCC
    Cn1cnc2C(=O)NC(=Nc12)Nc3ccccc3; c1ccc(cc
    1)NC2=Nc3c(ncn3CCCCO)C(=O)N2    		 9-(4-HYDROXYBUTYL)-N2-PHENYLGUANINE
    16021 BPH 747 C55 H76 N4 O6 InChI=1S/C55H76N4O6/c1-13
    -39-34(7)41-29-46-48(38(1
    1)60)36(9)43(57-46)27-42-
    35(8)40(52(58-42)50-51(55
    (63)64-12)54(62)49-37(10)
    44(59-53(49)50)28-45(39)5
    6-41)23-24-47(61)65-26-25
    -33(6)22-16-21-32(5)20-15
    -19-31(4)18-14-17-30(2)3/
    h25,27-32,34-35,39-40,51,
    57,59H,13-24,26H2,1-12H3/
    b33-25+,41-29-,42-27-,43-
    27-,44-28-,45-28-,46-29-,
    52-50-/t31-,32-,34-,35+,3
    9-,40+,51-/m1/s1;
    KWOZSBGNAHVCKG-SZQBJALDSA-N    		 O=C(OC\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C)CCC
    6c4nc(cc1c(c(C(=O)C)c(n1)cc5nc(cc3c(c2C(
    =O)C(c4c2n3)C(=O)OC)C)C(CC)C5C)C)C6C; CC
    [C@@H]1[C@@H](C)c2cc3[nH]c(cc4nc([C@@H](
    CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)C
    CCC(C)C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c
    6c(C)c([nH]c56)cc1n2)c(C)c3C(C)=O; CCC1c
    2cc3c(c4c([nH]3)c(c5nc(cc6c(c(c([nH]6)cc
    (n2)C1C)C(=O)C)C)C(C5CCC(=O)OCC=C(C)CCCC
    (C)CCCC(C)CCCC(C)C)C)C(C4=O)C(=O)OC)C; C
    CC1c2/cc\3/c(c4c([nH]3)c(c5n/c(c\c6c(c(c
    ([nH]6)/cc(\n2)/C1C)C(=O)C)C)/C(C5CCC(=O
    )OC/C=C(\C)/CCCC(C)CCCC(C)CCCC(C)C)C)C(C
    4=O)C(=O)OC)C; CC[CH]1[CH](C)c2cc3[nH]c(
    cc4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[
    CH](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=
    O)c6c(C)c([nH]c56)cc1n2)c(C)c3C(C)=O    		 BACTERIOPHEOPHYTIN A
    16022 BPI
    DB07479
    ZINC000033607667    		 1 C18 H16 O3 InChI=1S/C18H16O3/c19-15-
    9-14-13(17(20)18(15)21)8-
    7-11-6-5-10-3-1-2-4-12(10
    )16(11)14/h1-8,15,17-21H,
    9H2/t15-,17-,18-/m1/s1;
    WCUHTHVUZQCBTI-KBAYOESNSA-N    		 O[C@@H]1Cc2c(ccc3ccc4ccccc4c23)[C@@H](O)
    [C@@H]1O; c1ccc2c(c1)ccc3c2c4c(cc3)[C@H]
    ([C@@H]([C@@H](C4)O)O)O; OC4c3c(c1c(ccc2
    c1cccc2)cc3)CC(O)C4O; c1ccc2c(c1)ccc3c2c
    4c(cc3)C(C(C(C4)O)O)O; O[CH]1Cc2c(ccc3cc
    c4ccccc4c23)[CH](O)[CH]1O    		 (1S)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL;
    1S-TRANS-ANTI-BENZO[C]PHENANTHRENE
    16023 BPJ
    ZINC000033821232    		 0 C18 H16 O3 InChI=1S/C18H16O3/c19-15-
    9-14-13(17(20)18(15)21)8-
    7-11-6-5-10-3-1-2-4-12(10
    )16(11)14/h1-8,15,17-21H,
    9H2/t15-,17-,18-/m0/s1;
    WCUHTHVUZQCBTI-SZMVWBNQSA-N    		 c1ccc2c(c1)ccc3c2c4c(cc3)[C@@H]([C@H]([C
    @H](C4)O)O)O; OC4c3c(c1c(ccc2c1cccc2)cc3
    )CC(O)C4O; c1ccc2c(c1)ccc3c2c4c(cc3)C(C(
    C(C4)O)O)O; O[CH]1Cc2c(ccc3ccc4ccccc4c23
    )[CH](O)[CH]1O; O[C@H]1Cc2c(ccc3ccc4cccc
    c4c23)[C@H](O)[C@H]1O    		 (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL;
    1R-TRANS-ANTI-BENZO[C]PHENANTHRENE
    16024 BPK
    CHEMBL2069625    		 1 C18 H17 N O3 InChI=1S/C18H17NO3/c1-13-
    17(12-21-16-9-5-6-14(10-1
    6)11-20)19-18(22-13)15-7-
    3-2-4-8-15/h2-10,20H,11-1
    2H2,1H3;
    UPVJJOGZAKVERR-UHFFFAOYSA-N    		 Cc1c(nc(o1)c2ccccc2)COc3cccc(c3)CO; n1c(
    c(oc1c2ccccc2)C)COc3cc(ccc3)CO; Cc1oc(nc
    1COc2cccc(CO)c2)c3ccccc3    		 {3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl}methanol
    16025 BPL
    ZINC000033607674    		 0 C22 H16 N2 O InChI=1S/C22H16N2O/c1-23-
    22(25)24-21-17-8-3-2-7-15
    (17)16-11-9-13-5-4-6-14-1
    0-12-18(21)20(16)19(13)14
    /h2-12H,1H3,(H2,23,24,25);
    BRZOCLVBOXAQBG-UHFFFAOYSA-N    		 CNC(=O)Nc1c2ccccc2c3ccc4cccc5c4c3c1cc5;
    O=C(NC)Nc4c5c(c1ccc3c2c1c4ccc2ccc3)cccc5
    ; CNC(=O)Nc1c2ccccc2c3ccc4cccc5ccc1c3c45    		 1-BENZO[A]PYREN-6-YL-3-METHYL-UREA;
    6-[3-METHYLUREAYL]-BENZO[A]PYRENE
    16026 BPM
    DB07480
    ZINC000003871034    		 2 C13 H14 O8 P2 InChI=1S/C13H14O8P2/c14-2
    2(15,16)20-12-5-1-10(2-6-
    12)9-11-3-7-13(8-4-11)21-
    23(17,18)19/h1-8H,9H2,(H2
    ,14,15,16)(H2,17,18,19);
    LGSCVLKUKMBYNC-UHFFFAOYSA-N    		 O[P](O)(=O)Oc1ccc(Cc2ccc(O[P](O)(O)=O)cc
    2)cc1; c1cc(ccc1Cc2ccc(cc2)OP(=O)(O)O)OP
    (=O)(O)O; O=P(O)(O)Oc1ccc(cc1)Cc2ccc(OP(
    =O)(O)O)cc2    		 4-PHOSPHONOOXY-PHENYL-METHYL-[4-PHOSPHONOOXY]BENZEN;
    bis-(para-phosphophenyl)
    16027 BPN
    CHEMBL153580
    ZINC000000157462    		 2 C7 H7 N O3 InChI=1S/C7H7NO3/c9-5-6-1
    -3-7(4-2-6)8(10)11/h1-4,9
    H,5H2;
    JKTYGPATCNUWKN-UHFFFAOYSA-N    		 c1cc(ccc1CO)[N+](=O)[O-]; [O-][N+](=O)c1
    ccc(cc1)CO; OCc1ccc(cc1)[N+]([O-])=O    		 PARANITROBENZYL ALCOHOL
    16028 BPO
    CHEMBL283765
    ZINC000003870904    		 1 C28 H28 N4 O3 InChI=1S/C28H28N4O3/c29-2
    6(30)22-12-7-13-23(18-22)
    27(34)31-24(19-8-3-1-4-9-
    19)28(35)32-16-14-21(15-1
    7-32)25(33)20-10-5-2-6-11
    -20/h1-13,18,21,24H,14-17
    H2,(H3,29,30)(H,31,34)/t2
    4-/m1/s1;
    SEXVRUMCMJFNTJ-XMMPIXPASA-N    		 O=C(N2CCC(C(=O)c1ccccc1)CC2)C(c3ccccc3)N
    C(=O)c4cccc(C(=[N@H])N)c4; [H]N=C(c1cccc
    (c1)C(=O)NC(c2ccccc2)C(=O)N3CCC(CC3)C(=O
    )c4ccccc4)N; [H]/N=C(\c1cccc(c1)C(=O)N[C
    @H](c2ccccc2)C(=O)N3CCC(CC3)C(=O)c4ccccc
    4)/N; NC(=N)c1cccc(c1)C(=O)N[CH](C(=O)N2
    CC[CH](CC2)C(=O)c3ccccc3)c4ccccc4; NC(=N
    )c1cccc(c1)C(=O)N[C@@H](C(=O)N2CC[C@H](C
    C2)C(=O)c3ccccc3)c4ccccc4    		 3-[(Z)-AMINO(IMINO)METHYL]-N-[2-(4-BENZOYL-1-PIPERIDINYL)-2-OXO-1-PHENYLETHYL]BENZAMIDE
    16029 BPP
    CHEMBL407425
    ZINC000018274825    		 1 C22 H24 N4 O InChI=1S/C22H24N4O/c23-21
    (24)17-6-7-19-18(13-17)14
    -20(25-19)22(27)26-10-8-1
    6(9-11-26)12-15-4-2-1-3-5
    -15/h1-7,13-14,16,25H,8-1
    2H2,(H3,23,24);
    UBTZELOICBXALH-UHFFFAOYSA-N    		 c1ccc(cc1)CC2CCN(CC2)C(=O)c3cc4cc(ccc4[n
    H]3)C(=N)N; [H]/N=C(\c1ccc2c(c1)cc([nH]2
    )C(=O)N3CCC(CC3)Cc4ccccc4)/N; O=C(c1cc2c
    c(ccc2[NH]1)C(=N)N)N1CCC(Cc2ccccc2)CC1;
    NC(=N)c1ccc2[nH]c(cc2c1)C(=O)N3CCC(CC3)C
    c4ccccc4    		 2-(4-benzylpiperidine-1-carbonyl)-1H-indole-5-carboximidamide;
    5-amidinoindole-4-benzylpiperidin
    16030 BPQ
    DB07481
    ZINC000039046718    		 1 C12 H17 N5 O3 InChI=1S/C12H17N5O3/c1-12
    (2,3)20-11(19)15-5-6-4-14
    -8-7(6)9(18)17-10(13)16-8
    /h4H,5H2,1-3H3,(H,15,19)(
    H4,13,14,16,17,18);
    RXVQMCMIOHBKNE-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)NCc1c[nH]c2c1C(=O)NC(=N2)N
    ; O=C(OC(C)(C)C)NCc1cnc2N=C(NC(=O)c12)N;
    CC(C)(C)OC(=O)NCc1c[nH]c2N=C(N)NC(=O)c1
    2    		 tert-butyl [(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]carbamate
    16031 BPR
    CHEMBL63895
    DB07482
    ZINC000169748497    		 4 C9 H17 B N2 O3 InChI=1S/C9H17BN2O3/c13-9
    (7-3-1-5-11-7)12-6-2-4-8(
    12)10(14)15/h7-8,11,14-15
    H,1-6H2/t7-,8-/m0/s1;
    XSBZZZGVAIXJLD-YUMQZZPRSA-N    		 OB(O)[CH]1CCCN1C(=O)[CH]2CCCN2; O=C(N1C(
    B(O)O)CCC1)C2NCCC2; B(C1CCCN1C(=O)C2CCCN
    2)(O)O; B([C@@H]1CCCN1C(=O)[C@@H]2CCCN2)
    (O)O; OB(O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2    		 (2R)-N-[(2R)-2-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-N-[(5R)-5-(DIHYDROXYBORYL)-1-L-PROLYLPYRROLIDIN-2-YL]-L-PROLINAMIDE
    16032 BPS
    DB07483    		 2 C12 H10 O2 S InChI=1S/C12H10O2S/c13-15
    (14)12-9-5-4-8-11(12)10-6
    -2-1-3-7-10/h1-9H,(H,13,1
    4);
    LZCLZDCSBDVAOV-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccccc2S(=O)O; O=S(O)c2ccccc2
    c1ccccc1; O[S@@](=O)c1ccccc1c2ccccc2; c1
    ccc(cc1)c2ccccc2[S@](=O)O; O[S](=O)c1ccc
    cc1c2ccccc2    		 1,1'-BIPHENYL-2-SULFINIC ACID;
    BIPHENYL-2-SULFINIC ACID
    16033 BPT 0 C4 H24 Cl2 N6 Pt2 InChI=1S/C4H12N2.2ClH.4H3
    N.2Pt/c5-3-1-2-4-6;;;;;;;
    ;/h1-6H2;2*1H;4*1H3;;/q;;
    ;;;;;2*+1/p-2;
    IVVNZXXPAYQGSH-UHFFFAOYSA-L    		 N.N.N.N.NCCCCN.Cl[Pt].Cl[Pt]; C(CC[NH2][
    Pt]([NH3])([NH3])Cl)C[NH2][Pt]([NH3])([N
    H3])Cl    		 BIS(TRANS-PLATINUM ETHYLENEDIAMINE DIAMINE CHLORO)COMPLEX;
    1,1/T,T
    16034 BPU
    CHEMBL1231450
    ZINC000008610413    		 2 C11 H7 Br N2 O InChI=1S/C11H7BrN2O/c12-7
    -3-4-9-8(6-7)13-11(15)10-
    2-1-5-14(9)10/h1-6H,(H,13
    ,15);
    RNCKOJOKKQPZIB-UHFFFAOYSA-N    		 Brc1ccc2n3cccc3C(=O)Nc2c1; Brc1cc2c(cc1)
    n3c(C(=O)N2)ccc3; c1cc2n(c1)-c3ccc(cc3NC
    2=O)Br    		 7-bromopyrrolo[1,2-a]quinoxalin-4(5H)-one
    16035 BPV
    CHEMBL177837
    DB17135
    ZINC000001718542    		 5 C3 H3 Br O3 InChI=1S/C3H3BrO3/c4-1-2(
    5)3(6)7/h1H2,(H,6,7);
    PRRZDZJYSJLDBS-UHFFFAOYSA-N    		 C(C(=O)C(=O)O)Br; BrCC(=O)C(=O)O; OC(=O)
    C(=O)CBr    		 Bromopyruvate;
    Bromopyruvic acid;
    3-bromo-2-oxopropanoic acid
    16036 BPW
    ZINC000006658015    		 2 C9 H12 Cl N InChI=1S/C9H12ClN/c10-9-5
    -3-8(4-6-9)2-1-7-11/h3-6H
    ,1-2,7,11H2;
    RVLNDSYSQLMPRC-UHFFFAOYSA-N    		 c1cc(ccc1CCCN)Cl; NCCCc1ccc(Cl)cc1 3-(4-chlorophenyl)propan-1-amine
    16037 BPX
    DB07484
    ZINC000039258292    		 3 C12 H15 N O6 InChI=1S/C12H15NO6/c14-11
    (15)10(6-9-4-2-1-3-5-9)7-
    12(16,17)8-13(18)19/h1-5,
    10,16-17H,6-8H2,(H,14,15)
    /t10-/m1/s1;
    CGGNZMVODZPHHK-SNVBAGLBSA-N    		 OC(=O)[CH](Cc1ccccc1)CC(O)(O)C[N+]([O-])
    =O; [O-][N+](=O)CC(O)(O)CC(C(=O)O)Cc1ccc
    cc1; OC(=O)[C@H](Cc1ccccc1)CC(O)(O)C[N+]
    ([O-])=O; c1ccc(cc1)CC(CC(C[N+](=O)[O-])
    (O)O)C(=O)O; c1ccc(cc1)C[C@H](CC(C[N+](=
    O)[O-])(O)O)C(=O)O    		 (2R)-4,4-dihydroxy-5-nitro-2-(phenylmethyl)pentanoic acid
    16038 BPY
    DB02923
    ZINC000000901387    		 14 C12 H10 O2 InChI=1S/C12H10O2/c13-11-
    8-4-7-10(12(11)14)9-5-2-1
    -3-6-9/h1-8,13-14H;
    YKOQAAJBYBTSBS-UHFFFAOYSA-N    		 Oc1cccc(c2ccccc2)c1O; c1ccc(cc1)c2cccc(c
    2O)O; Oc2c(c1ccccc1)cccc2O    		 BIPHENYL-2,3-DIOL
    16039 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
    16040 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
    16041 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
    16042 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
    16043 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
    16044 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
    16045 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
    16046 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
    16047 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
    16048 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
    16049 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
    16050 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
    16051 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
    16052 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
    16053 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
    16054 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
    16055 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
    16056 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
    16057 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
    16058 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
    16059 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
    16060 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
    16061 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
    16062 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
    16063 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
    16064 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
    16065 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
    16066 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
    16067 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
    16068 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
    16069 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
    16070 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
    16071 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
    16072 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
    16073 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
    16074 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
    16075 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
    16076 BR 96 Br InChI=1S/BrH/h1H/p-1;
    CPELXLSAUQHCOX-UHFFFAOYSA-M    		 [Br-] BROMIDE ION
    16077 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
    16078 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
    16079 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
    16080 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
    16081 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
    16082 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
    16083 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
    16084 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
    16085 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
    16086 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
    16087 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)
    16088 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
    16089 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
    16090 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
    16091 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
    16092 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
    16093 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
    16094 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
    16095 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
    16096 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
    16097 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
    16098 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
    16099 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
    16100 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
    16101 BRO 0 Br InChI=1/BrH/h1H;
    CPELXLSAUQHCOX-UHFFFAOYAZ    		 Br; [Br]; [Br-] BROMO GROUP
    16102 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
    16103 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
    16104 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
    16105 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
    16106 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
    16107 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
    16108 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
    16109 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
    16110 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
    16111 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
    16112 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
    16113 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
    16114 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
    16115 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
    16116 BS3
    DB14572    		 1 Bi InChI=1S/Bi/q+3;
    JCXGWMGPZLAOME-UHFFFAOYSA-N    		 [Bi+3] Bismuth(III) ION
    16117 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
    16118 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
    16119 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
    16120 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
    16121 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
    16122 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
    16123 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
    16124 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
    16125 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
    16126 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
    16127 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
    16128 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
    16129 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
    16130 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
    16131 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
    16132 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
    16133 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
    16134 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
    16135 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
    16136 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
    16137 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
    16138 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
    16139 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
    16140 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
    16141 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
    16142 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
    16143 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
    16144 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
    16145 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
    16146 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
    16147 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
    16148 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
    16149 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
    16150 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
    16151 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
    16152 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
    16153 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
    16154 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
    16155 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
    16156 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
    16157 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
    16158 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
    16159 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
    16160 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
    16161 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
    16162 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
    16163 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
    16164 BTN
    CHEMBL857
    DB00121
    ZINC000035024346    		 391 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
    16165 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
    16166 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
    16167 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
    16168 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
    16169 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
    16170 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
    16171 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
    16172 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
    16173 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
    16174 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
    16175 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
    16176 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
    16177 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
    16178 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
    16179 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
    16180 BU3
    ZINC000000901616    		 230 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
    16181 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
    16182 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
    16183 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
    16184 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
    16185 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
    16186 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
    16187 BUA
    CHEMBL14227
    DB03568
    ZINC000000895132    		 34 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
    16188 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
    16189 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
    16190 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
    16191 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
    16192 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
    16193 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
    16194 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
    16195 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
    16196 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
    16197 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
    16198 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
    16199 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
    16200 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
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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