Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

  • Click # to view 2D diagram of the ligand.
  • 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 ";".

    • << < 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 > >>
    Go to page
    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    32201 OQD
    CHEMBL4648539    		 2 C33 H45 N3 O8 InChI=1S/C33H45N3O8/c1-4-
    21(2)29(36-32(39)41-3)30(
    38)35-26(18-23-13-9-6-10-
    14-23)27(37)19-24(17-22-1
    1-7-5-8-12-22)34-33(40)44
    -28-20-43-31-25(28)15-16-
    42-31/h5-14,21,24-29,31,3
    7H,4,15-20H2,1-3H3,(H,34,
    40)(H,35,38)(H,36,39)/t21
    -,24-,25-,26-,27-,28-,29-
    ,31+/m0/s1;
    ZTHXXPRDWPPMMG-BDOBJAQCSA-N    		 CC[C@H](C)[C@H](NC(=O)OC)C(=O)N[C@@H](Cc
    1ccccc1)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)
    O[C@H]3CO[C@H]4OCC[C@@H]34; c1(ccccc1)CC
    (C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)
    NC(=O)C(C(C)CC)NC(OC)=O; CC[CH](C)[CH](N
    C(=O)OC)C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH
    ](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34
    ; CCC(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2cccc
    c2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC; CC[C@
    H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H]
    (C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@@H]4
    [C@H]3CCO4)O)NC(=O)OC    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-isoleucyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    32202 OQE
    ZINC000013629125    		 3 C16 H18 N O5 P InChI=1S/C16H18NO5P/c18-1
    6(17-11-10-13-6-2-1-3-7-1
    3)12-22-14-8-4-5-9-15(14)
    23(19,20)21/h1-9H,10-12H2
    ,(H,17,18)(H2,19,20,21);
    FRNXSTXSXYWTDK-UHFFFAOYSA-N    		 c1ccc(cc1)CCNC(=O)COc2ccccc2P(=O)(O)O; O
    [P](O)(=O)c1ccccc1OCC(=O)NCCc2ccccc2    		 [2-[2-oxidanylidene-2-(2-phenylethylamino)ethoxy]phenyl]phosphonic acid
    32203 OQF 1 C20 H20 N6 O S InChI=1S/C20H20N6OS/c1-24
    (2)16-7-9-17(10-8-16)25(1
    1-15-13-28-14-21-15)20(27
    )12-26-19-6-4-3-5-18(19)2
    2-23-26/h3-10,13-14H,11-1
    2H2,1-2H3;
    BZTBYCRNDCQTCD-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn3c4cccc
    c4nn3; CN(C)c1ccc(cc1)N(Cc2cscn2)C(=O)Cn
    3nnc4ccccc34; O=C(Cn1nnc2ccccc21)N(Cc1cs
    cn1)c1ccc(cc1)N(C)C    		 2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide
    32204 OQG
    CHEMBL4639819    		 2 C32 H43 N3 O8 InChI=1S/C32H43N3O8/c1-20
    (2)28(35-31(38)40-3)29(37
    )34-25(17-22-12-8-5-9-13-
    22)26(36)18-23(16-21-10-6
    -4-7-11-21)33-32(39)43-27
    -19-42-30-24(27)14-15-41-
    30/h4-13,20,23-28,30,36H,
    14-19H2,1-3H3,(H,33,39)(H
    ,34,37)(H,35,38)/t23-,24-
    ,25-,26-,27-,28-,30+/m0/s
    1;
    WVKJHIVGBANALA-DMVQEWIISA-N    		 COC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](Cc1ccc
    cc1)[C@@H](O)C[C@H](Cc2ccccc2)NC(=O)O[C@
    H]3CO[C@H]4OCC[C@@H]34; COC(=O)N[CH](C(C
    )C)C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH](Cc2
    ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34; CC(
    C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2ccccc2)NC(
    =O)OC3COC4C3CCO4)O)NC(=O)OC; c1(ccccc1)C
    C(C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O
    )NC(=O)C(C(C)C)NC(OC)=O; CC(C)[C@@H](C(=
    O)N[C@@H](Cc1ccccc1)[C@H](C[C@H](Cc2cccc
    c2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)NC
    (=O)OC    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    32205 OQH 1 C12 H15 N O2 InChI=1S/C12H15NO2/c1-2-1
    3-12(15)9-8-11(14)10-6-4-
    3-5-7-10/h3-7H,2,8-9H2,1H
    3,(H,13,15);
    DSZHWKIWJYHWTO-UHFFFAOYSA-N    		 CCNC(=O)CCC(=O)c1ccccc1 ~{N}-ethyl-4-oxidanylidene-4-phenyl-butanamide
    32206 OQI
    CHEMBL5195600    		 1 C28 H24 Cl F N8 O3 InChI=1S/C28H24ClFN8O3/c1
    -41-28(39)33-21-7-4-18(5-
    8-21)20-13-32-36(14-20)25
    (12-17-2-3-17)23-10-6-19(
    15-38(23)40)26-24(37-16-3
    1-34-35-37)11-9-22(29)27(
    26)30/h4-11,13-17,25H,2-3
    ,12H2,1H3,(H,33,39)/t25-/
    m1/s1;
    UEZIPJPABXSKCS-RUZDIDTESA-N    		 COC(=O)Nc1ccc(cc1)c2cnn(c2)[C@H](CC3CC3)
    c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6;
    COC(=O)Nc1ccc(cc1)c2cnn(c2)[C@H](CC3CC3
    )c4ccc(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6
    ; Fc1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(c
    c1)C(CC1CC1)n1cc(cn1)c1ccc(NC(=O)OC)cc1;
    COC(=O)Nc1ccc(cc1)c2cnn(c2)C(CC3CC3)c4c
    cc(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6; CO
    C(=O)Nc1ccc(cc1)c2cnn(c2)[CH](CC3CC3)c4c
    cc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6    		 methyl ~{N}-[4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]phenyl]carbamate
    32207 OQJ
    CHEMBL4755144
    ZINC000033008219    		 1 C22 H17 Cl N4 O3 S InChI=1S/C22H17ClN4O3S/c1
    -30-18-10-7-14(23)11-17(1
    8)25-21(29)24-15-8-9-16-1
    9(12-15)31-22(26-16)27-20
    (28)13-5-3-2-4-6-13/h2-12
    H,1H3,(H2,24,25,29)(H,26,
    27,28);
    GFYCKNKAOMHFQF-UHFFFAOYSA-N    		 COc1ccc(Cl)cc1NC(=O)Nc2ccc3nc(NC(=O)c4cc
    ccc4)sc3c2; COc1ccc(cc1NC(=O)Nc2ccc3c(c2
    )sc(n3)NC(=O)c4ccccc4)Cl; c1cc(c(cc1Cl)N
    C(Nc4ccc2c(sc(n2)NC(=O)c3ccccc3)c4)=O)OC    		 N-(6-{[(5-chloro-2-methoxyphenyl)carbamoyl]amino}-1,3-benzothiazol-2-yl)benzamide
    32208 OQK 1 C17 H11 F3 N4 O2 S InChI=1S/C17H11F3N4O2S/c1
    8-17(19,20)12-7-5-10(6-8-
    12)14-22-23-16(27)24(14)2
    1-9-11-3-1-2-4-13(11)15(2
    5)26/h1-9H,(H,23,27)(H,25
    ,26)/b21-9+;
    XSLMCXSXQVUMLN-ZVBGSRNCSA-N    		 OC(=O)c1ccccc1C=Nn2c(S)nnc2c3ccc(cc3)C(F
    )(F)F; OC(=O)c1ccccc1/C=N/n2c(S)nnc2c3cc
    c(cc3)C(F)(F)F; c1ccc(c(c1)/C=N/n2c(nnc2
    S)c3ccc(cc3)C(F)(F)F)C(=O)O; c1ccc(c(c1)
    C=Nn2c(nnc2S)c3ccc(cc3)C(F)(F)F)C(=O)O    		 2-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
    32209 OQL 4 C19 H16 Cl N3 O InChI=1S/C19H16ClN3O/c20-
    13-5-6-17-16(9-13)15(7-8-
    22-17)19(24)23-18-11-21-1
    0-12-3-1-2-4-14(12)18/h1-
    6,9-11,15,22H,7-8H2,(H,23
    ,24)/t15-/m1/s1;
    TUZBEGQKTWHIIP-OAHLLOKOSA-N    		 Clc1ccc2NCC[CH](C(=O)Nc3cncc4ccccc34)c2c
    1; c1ccc2c(c1)cncc2NC(=O)C3CCNc4c3cc(cc4
    )Cl; Clc1ccc2NCC[C@@H](C(=O)Nc3cncc4cccc
    c34)c2c1; Clc1ccc2NCCC(c2c1)C(=O)Nc1cncc
    2ccccc21; c1ccc2c(c1)cncc2NC(=O)[C@@H]3C
    CNc4c3cc(cc4)Cl    		 (4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
    32210 OQM
    CHEMBL4788009
    ZINC000046023899    		 1 C21 H17 F3 N6 O InChI=1S/C21H17F3N6O/c1-1
    2-17(10-18(31)27-16-7-3-6
    -15(9-16)21(22,23)24)13(2
    )30-20(26-12)28-19(29-30)
    14-5-4-8-25-11-14/h3-9,11
    H,10H2,1-2H3,(H,27,31);
    MTJCWZPTCSKXKK-UHFFFAOYSA-N    		 Cc1c(c(n2c(n1)nc(n2)c3cccnc3)C)CC(=O)Nc4
    cccc(c4)C(F)(F)F; c3(c1cnccc1)nc2nc(c(c(
    C)n2n3)CC(=O)Nc4cc(ccc4)C(F)(F)F)C; Cc1n
    c2nc(nn2c(C)c1CC(=O)Nc3cccc(c3)C(F)(F)F)
    c4cccnc4    		 2-[5,7-dimethyl-2-(pyridin-3-yl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
    32211 OQN 3 C18 H18 N6 O InChI=1S/C18H18N6O/c1-20-
    18-21-13-9-12-14(22-17(19
    )24-16(12)25)11(15(13)23-
    18)8-7-10-5-3-2-4-6-10/h2
    -6,9H,7-8H2,1H3,(H2,20,21
    ,23)(H3,19,22,24,25);
    WJCDAOMLVZDAIC-UHFFFAOYSA-N    		 CNc1[nH]c2c(CCc3ccccc3)c4N=C(N)NC(=O)c4c
    c2n1; CNc1[nH]c2c(n1)cc3c(c2CCc4ccccc4)N
    =C(NC3=O)N    		 6-amino-2-(methylamino)-4-phenethyl-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
    6-azanyl-2-(methylamino)-4-(2-phenylethyl)-3,7-dihydroimidazo[4,5-g]quinazolin-8-one
    32212 OQO 1 C26 H23 Cl F N9 O InChI=1S/C26H23ClFN9O/c1-
    15-19(5-9-24(29)32-15)18-
    11-31-35(12-18)23(10-16-2
    -3-16)21-7-4-17(13-37(21)
    38)25-22(36-14-30-33-34-3
    6)8-6-20(27)26(25)28/h4-9
    ,11-14,16,23H,2-3,10H2,1H
    3,(H2,29,32)/t23-/m1/s1;
    LGWUJLNQWXJMJR-HSZRJFAPSA-N    		 Cc1c(ccc(n1)N)c2cnn(c2)[C@H](CC3CC3)c4cc
    c(c[n+]4[O-])c5c(ccc(c5F)Cl)n6cnnn6; Cc1
    nc(N)ccc1c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+
    ]4[O-])c5c(F)c(Cl)ccc5n6cnnn6; Cc1c(ccc(
    n1)N)c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4[O-])
    c5c(ccc(c5F)Cl)n6cnnn6; Fc1c(Cl)ccc(n2cn
    nn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(c
    n1)c1ccc(N)nc1C; Cc1nc(N)ccc1c2cnn(c2)[C
    @H](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)c
    cc5n6cnnn6    		 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-methyl-pyridin-2-amine
    32213 OQP
    CHEMBL4647359    		 2 C33 H43 N3 O8 InChI=1S/C33H43N3O8/c1-41
    -32(40)36-33(15-8-9-16-33
    )30(38)34-24(18-22-10-4-2
    -5-11-22)20-27(37)26(19-2
    3-12-6-3-7-13-23)35-31(39
    )44-28-21-43-29-25(28)14-
    17-42-29/h2-7,10-13,24-29
    ,37H,8-9,14-21H2,1H3,(H,3
    4,38)(H,35,39)(H,36,40)/t
    24-,25-,26-,27-,28-,29+/m
    0/s1;
    RTQWXKCFXHCIFO-VEIVPZTASA-N    		 COC(=O)NC1(CCCC1)C(=O)N[CH](C[CH](O)[CH]
    (Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34)
    Cc5ccccc5; COC(=O)NC1(CCCC1)C(=O)NC(Cc2c
    cccc2)CC(C(Cc3ccccc3)NC(=O)OC4COC5C4CCO5
    )O; COC(=O)NC1(CCCC1)C(=O)N[C@H](C[C@H](
    O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@H]4O
    CC[C@@H]34)Cc5ccccc5; C2(C1CCOC1OC2)OC(=
    O)NC(Cc3ccccc3)C(CC(Cc4ccccc4)NC(C5(CCCC
    5)NC(=O)OC)=O)O; COC(=O)NC1(CCCC1)C(=O)N
    [C@@H](Cc2ccccc2)C[C@@H]([C@H](Cc3ccccc3
    )NC(=O)O[C@H]4CO[C@@H]5[C@H]4CCO5)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-({1-[(methoxycarbonyl)amino]cyclopentane-1-carbonyl}amino)-1,6-diphenylhexan-2-yl]carbamate
    32214 OQQ 2 C19 H17 F3 N6 O InChI=1S/C19H17F3N6O/c1-2
    4-18-25-13-8-12-14(26-17(
    23)28-16(12)29)11(15(13)2
    7-18)7-4-9-2-5-10(6-3-9)1
    9(20,21)22/h2-3,5-6,8H,4,
    7H2,1H3,(H2,24,25,27)(H3,
    23,26,28,29);
    ZWUPQNLDYYEWTK-UHFFFAOYSA-N    		 CNc1[nH]c2cc3c(c(c2n1)CCc4ccc(cc4)C(F)(F
    )F)NC(=NC3=O)N; CNc1[nH]c2cc3C(=O)N=C(N)
    Nc3c(CCc4ccc(cc4)C(F)(F)F)c2n1    		 6-amino-2-(methylamino)-4-(4-(trifluoromethyl)phenethyl)-3,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one;
    6-azanyl-2-(methylamino)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]-1,5-dihydroimidazo[4,5-g]quinazolin-8-one
    32215 OQR
    CHEMBL1403931
    ZINC000000000570    		 3 C14 H21 N3 O3 InChI=1S/C14H21N3O3/c1-9(
    2)15-7-12-4-3-10-5-11(8-1
    8)14(17(19)20)6-13(10)16-
    12/h5-6,9,12,15-16,18H,3-
    4,7-8H2,1-2H3/t12-/m1/s1;
    XCGYUJZMCCFSRP-GFCCVEGCSA-N    		 CC(C)NC[C@H]1CCc2cc(c(cc2N1)[N+](=O)[O-]
    )CO; CC(C)NCC1CCc2cc(c(cc2N1)[N+](=O)[O-
    ])CO; C2Cc1cc(CO)c(cc1NC2CNC(C)C)[N+]([O
    -])=O; CC(C)NC[CH]1CCc2cc(CO)c(cc2N1)[N+
    ]([O-])=O; CC(C)NC[C@H]1CCc2cc(CO)c(cc2N
    1)[N+]([O-])=O    		 {(2R)-7-nitro-2-[(propan-2-ylamino)methyl]-1,2,3,4-tetrahydroquinolin-6-yl}methanol;
    oxamniquine
    32216 OQS
    CHEMBL4739922
    ZINC000001330777    		 1 C21 H15 Cl F3 N5 O3 InChI=1S/C21H15ClF3N5O3/c
    1-33-14-5-3-13(4-6-14)30-
    19-15(9-27-30)20(32)29(11
    -26-19)10-18(31)28-17-8-1
    2(21(23,24)25)2-7-16(17)2
    2/h2-9,11H,10H2,1H3,(H,28
    ,31);
    VVMPLFOVCSRJQQ-UHFFFAOYSA-N    		 COc1ccc(cc1)n2c3c(cn2)C(=O)N(C=N3)CC(=O)
    Nc4cc(ccc4Cl)C(F)(F)F; COc1ccc(cc1)n2ncc
    3C(=O)N(CC(=O)Nc4cc(ccc4Cl)C(F)(F)F)C=Nc
    23; c4c(n3ncc2C(N(CC(Nc1c(ccc(C(F)(F)F)c
    1)Cl)=O)C=Nc23)=O)ccc(c4)OC    		 N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[1-(4-methoxyphenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
    32217 OQT 1 C16 H13 F3 N2 O2 S InChI=1S/C16H13F3N2O2S/c1
    7-11-8-12(18)15(16(14(11)
    19)24(20,22)23)21-13-7-3-
    5-9-4-1-2-6-10(9)13/h1-4,
    6-8,13,21H,5H2,(H2,20,22,
    23)/t13-/m0/s1;
    ILONVCLABRPQHC-ZDUSSCGKSA-N    		 N[S](=O)(=O)c1c(F)c(F)cc(F)c1N[CH]2C=CCc
    3ccccc23; N[S](=O)(=O)c1c(F)c(F)cc(F)c1N
    [C@H]2C=CCc3ccccc23; c1ccc2c(c1)CC=C[C@@
    H]2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F; c1ccc2c
    (c1)CC=CC2Nc3c(cc(c(c3S(=O)(=O)N)F)F)F    		 2-[(1S)-1,2,3,4-Tetrahydronapthalen-1-ylamino)-3,5,6-trifluorobenzenesulfonamide;
    2-[[(1~{S})-1,4-dihydronaphthalen-1-yl]amino]-3,5,6-tris(fluoranyl)benzenesulfonamide
    32218 OQU 2 C10 H6 Br F3 N4 S InChI=1S/C10H6BrF3N4S/c11
    -7-3-1-2-6(4-7)5-15-18-8(
    10(12,13)14)16-17-9(18)19
    /h1-5H,(H,17,19)/b15-5+;
    VLJIPDZUVTZJIE-PJQLUOCWSA-N    		 c1cc(cc(c1)Br)C=Nn2c(nnc2S)C(F)(F)F; FC(
    F)(F)c1nnc(S)n1/N=C/c2cccc(Br)c2; c1cc(c
    c(c1)Br)/C=N/n2c(nnc2S)C(F)(F)F; FC(F)(F
    )c1nnc(S)n1N=Cc2cccc(Br)c2    		 4-[(~{E})-(3-bromophenyl)methylideneamino]-5-(trifluoromethyl)-1,2,4-triazole-3-thiol
    32219 OQV
    CHEMBL4640533    		 2 C33 H45 N3 O8 InChI=1S/C33H45N3O8/c1-33
    (2,3)28(36-31(39)41-4)29(
    38)34-23(17-21-11-7-5-8-1
    2-21)19-26(37)25(18-22-13
    -9-6-10-14-22)35-32(40)44
    -27-20-43-30-24(27)15-16-
    42-30/h5-14,23-28,30,37H,
    15-20H2,1-4H3,(H,34,38)(H
    ,35,40)(H,36,39)/t23-,24-
    ,25-,26-,27-,28+,30+/m0/s
    1;
    LPGGYDYQUYLLOU-LGDXJAAOSA-N    		 CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)C[
    C@@H]([C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@
    @H]4[C@H]3CCO4)O)NC(=O)OC; COC(=O)N[CH](
    C(=O)N[CH](C[CH](O)[CH](Cc1ccccc1)NC(=O)
    O[CH]2CO[CH]3OCC[CH]23)Cc4ccccc4)C(C)(C)
    C; COC(=O)N[C@H](C(=O)N[C@H](C[C@H](O)[C
    @H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C
    @@H]23)Cc4ccccc4)C(C)(C)C; c1(ccccc1)CC(
    C(CC(Cc2ccccc2)NC(C(C(C)(C)C)NC(OC)=O)=O
    )O)NC(OC3C4C(OC3)OCC4)=O; CC(C)(C)C(C(=O
    )NC(Cc1ccccc1)CC(C(Cc2ccccc2)NC(=O)OC3CO
    C4C3CCO4)O)NC(=O)OC    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3S,5S)-3-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    32220 OQW 1 C14 H19 F3 N2 O2 S InChI=1S/C14H19F3N2O2S/c1
    5-10-8-11(16)13(14(12(10)
    17)22(18,20)21)19-9-6-4-2
    -1-3-5-7-9/h8-9,19H,1-7H2
    ,(H2,18,20,21);
    CRSVSKVDNXYYQV-UHFFFAOYSA-N    		 N[S](=O)(=O)c1c(F)c(F)cc(F)c1NC2CCCCCCC2
    ; c1c(c(c(c(c1F)F)S(=O)(=O)N)NC2CCCCCCC2
    )F    		 2-(Cyclooctylamino)-3,5,6-trifluorobenzenesulfonamide;
    2-(cyclooctylamino)-3,5,6-tris(fluoranyl)benzenesulfonamide
    32221 OQX 1 C22 H19 Cl N4 O2 InChI=1S/C22H19ClN4O2/c1-
    29-19-11-9-18(10-12-19)26
    (14-16-5-4-6-17(23)13-16)
    22(28)15-27-21-8-3-2-7-20
    (21)24-25-27/h2-13H,14-15
    H2,1H3;
    RVLKWCGLMRBJIF-UHFFFAOYSA-N    		 COc1ccc(cc1)N(Cc2cccc(Cl)c2)C(=O)Cn3nnc4
    ccccc34; COc1ccc(cc1)N(Cc1cccc(Cl)c1)C(=
    O)Cn1nnc2ccccc21; COc1ccc(cc1)N(Cc2cccc(
    c2)Cl)C(=O)Cn3c4ccccc4nn3    		 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide
    32222 OQY
    CHEMBL4636562    		 2 C33 H45 N3 O8 InChI=1S/C33H45N3O8/c1-33
    (2,3)28(36-31(39)41-4)29(
    38)35-25(18-22-13-9-6-10-
    14-22)26(37)19-23(17-21-1
    1-7-5-8-12-21)34-32(40)44
    -27-20-43-30-24(27)15-16-
    42-30/h5-14,23-28,30,37H,
    15-20H2,1-4H3,(H,34,40)(H
    ,35,38)(H,36,39)/t23-,24-
    ,25-,26-,27-,28+,30+/m0/s
    1;
    GYVMEIFMNCTCMZ-LGDXJAAOSA-N    		 CC(C)(C)C(C(=O)NC(Cc1ccccc1)C(CC(Cc2cccc
    c2)NC(=O)OC3COC4C3CCO4)O)NC(=O)OC; COC(=
    O)N[CH](C(=O)N[CH](Cc1ccccc1)[CH](O)C[CH
    ](Cc2ccccc2)NC(=O)O[CH]3CO[CH]4OCC[CH]34
    )C(C)(C)C; CC(C)(C)[C@@H](C(=O)N[C@@H](C
    c1ccccc1)[C@H](C[C@H](Cc2ccccc2)NC(=O)O[
    C@H]3CO[C@@H]4[C@H]3CCO4)O)NC(=O)OC; COC
    (=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H]
    (O)C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@H]
    4OCC[C@@H]34)C(C)(C)C; c1(ccccc1)CC(C(CC
    (NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)NC(=O
    )C(C(C)(C)C)NC(OC)=O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-3-methyl-L-valyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    32223 OQZ 3 C19 H22 Cl N3 O2 S InChI=1S/C19H22ClN3O2S/c2
    0-17-9-8-14(26-17)12-22-1
    8(24)16-7-4-10-23(16)19(2
    5)15(21)11-13-5-2-1-3-6-1
    3/h1-3,5-6,8-9,15-16H,4,7
    ,10-12,21H2,(H,22,24)/t15
    -,16+/m1/s1;
    RAMUDOPEEQUPEA-CVEARBPZSA-N    		 c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NC
    c3ccc(s3)Cl)N; c1ccc(cc1)CC(C(=O)N2CCCC2
    C(=O)NCc3ccc(s3)Cl)N; N[CH](Cc1ccccc1)C(
    =O)N2CCC[CH]2C(=O)NCc3sc(Cl)cc3; N[C@H](
    Cc1ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3sc(Cl
    )cc3    		 (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-chloranylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
    32224 OR0 1 C25 H20 Cl F2 N9 O InChI=1S/C25H20ClF2N9O/c2
    6-18-5-7-20(36-13-30-33-3
    4-36)23(24(18)27)15-3-6-1
    9(37(38)12-15)21(9-14-1-2
    -14)35-11-16(10-31-35)17-
    4-8-22(29)32-25(17)28/h3-
    8,10-14,21H,1-2,9H2,(H2,2
    9,32)/t21-/m1/s1;
    QBLULMRFSPWMPT-OAQYLSRUSA-N    		 c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-]
    )[C@@H](CC4CC4)n5cc(cn5)c6ccc(nc6F)N; Nc
    1ccc(c(F)n1)c2cnn(c2)[C@H](CC3CC3)c4ccc(
    c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6; Fc1c(
    Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC
    1CC1)n1cc(cn1)c1ccc(N)nc1F; c1cc([n+](cc
    1c2c(ccc(c2F)Cl)n3cnnn3)[O-])C(CC4CC4)n5
    cc(cn5)c6ccc(nc6F)N; Nc1ccc(c(F)n1)c2cnn
    (c2)[CH](CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c
    (Cl)ccc5n6cnnn6    		 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-6-fluoranyl-pyridin-2-amine
    32225 OR1
    CHEMBL4642725
    ZINC000003930784    		 4 C35 H42 N2 O7 InChI=1S/C35H42N2O7/c1-23
    -10-9-11-24(2)33(23)42-22
    -32(39)37-29(19-26-14-7-4
    -8-15-26)30(38)20-27(18-2
    5-12-5-3-6-13-25)36-35(40
    )44-31-21-43-34-28(31)16-
    17-41-34/h3-15,27-31,34,3
    8H,16-22H2,1-2H3,(H,36,40
    )(H,37,39)/t27-,28-,29-,3
    0-,31-,34+/m0/s1;
    GRHZLQBPAJAHDM-SPRQWYLLSA-N    		 Cc1cccc(c1OCC(=O)NC(Cc2ccccc2)C(CC(Cc3cc
    ccc3)NC(=O)OC4COC5C4CCO5)O)C; Cc1cccc(C)
    c1OCC(=O)N[CH](Cc2ccccc2)[CH](O)C[CH](Cc
    3ccccc3)NC(=O)O[CH]4CO[CH]5OCC[CH]45; C(
    C(C(CC(NC(OC1C2C(OC1)OCC2)=O)Cc3ccccc3)O
    )NC(=O)COc4c(cccc4C)C)c5ccccc5; Cc1cccc(
    c1OCC(=O)N[C@@H](Cc2ccccc2)[C@H](C[C@H](
    Cc3ccccc3)NC(=O)O[C@H]4CO[C@@H]5[C@H]4CC
    O5)O)C; Cc1cccc(C)c1OCC(=O)N[C@@H](Cc2cc
    ccc2)[C@@H](O)C[C@H](Cc3ccccc3)NC(=O)O[C
    @H]4CO[C@H]5OCC[C@@H]45    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-5-{[(2,6-dimethylphenoxy)acetyl]amino}-4-hydroxy-1,6-diphenylhexan-2-yl]carbamate
    32226 OR4 2 C17 H14 O4 InChI=1S/C17H14O4/c18-17(
    19)8-13-11-21-16-9-14(6-7
    -15(13)16)20-10-12-4-2-1-
    3-5-12/h1-7,9,11H,8,10H2,
    (H,18,19);
    VJEZHKLENQLLAZ-UHFFFAOYSA-N    		 c1ccc(cc1)COc2ccc3c(c2)occ3CC(=O)O; OC(=
    O)Cc1coc2cc(OCc3ccccc3)ccc12; C(O)(Cc1c3
    c(oc1)cc(OCc2ccccc2)cc3)=O    		 [6-(benzyloxy)-1-benzofuran-3-yl]acetic acid
    32227 OR5 0 C5 H13 O8 P InChI=1/C5H13O8P/c6-1-3(7
    )5(9)4(8)2-13-14(10,11)12
    /h3-9H,1-2H2,(H2,10,11,12
    )/t3-,4+,5-/m0/s1/f/h10-1
    1H;
    VJDOAZKNBQCAGE-UYXRDBCVDP    		 C([C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O
    )O; OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O
    )=O; C(C(C(C(COP(=O)(O)O)O)O)O)O; OC[CH]
    (O)[CH](O)[CH](O)CO[P](O)(O)=O; O=P(O)(O
    )OCC(O)C(O)C(O)CO    		 OPEN FORM OF RIBOFURANOSE-5'-PHOSPHATE
    32228 OR6
    CHEMBL3359155
    ZINC000034202661    		 1 C9 H14 O4 InChI=1S/C9H14O4/c1-3-4-5
    -7(9(12)13)6(2)8(10)11/h7
    H,2-5H2,1H3,(H,10,11)(H,1
    2,13)/t7-/m0/s1;
    ULDVOPUXMRCBDH-ZETCQYMHSA-N    		 CCCCC(C(=C)C(=O)O)C(=O)O; CCCC[C@@H](C(=
    C)C(=O)O)C(=O)O; CCCC[CH](C(O)=O)C(=C)C(
    O)=O; CCCC[C@H](C(O)=O)C(=C)C(O)=O    		 (2~{S})-2-butyl-3-methylidene-butanedioic acid
    32229 OR7
    CHEMBL4458365    		 1 C12 H16 Cl2 N2 O4 S InChI=1S/C12H16Cl2N2O4S/c
    1-16(5-6-20-2)21(18,19)11
    -7-9(3-4-10(11)14)15-12(1
    7)8-13/h3-4,7H,5-6,8H2,1-
    2H3,(H,15,17);
    ADUIOJAMEFYIGZ-UHFFFAOYSA-N    		 COCCN(C)[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
    ; CN(CCOC)S(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl
    ; C(C(Nc1ccc(Cl)c(c1)S(=O)(=O)N(C)CCOC)=
    O)Cl    		 2-chloro-N-{4-chloro-3-[(2-methoxyethyl)(methyl)sulfamoyl]phenyl}acetamide
    32230 OR8
    ZINC000098209273    		 4 C17 H19 Cl N4 O3 S InChI=1S/C17H19ClN4O3S/c1
    -10-15(12(3)25-21-10)14-7
    -5-13(6-8-14)9-19-26(23,2
    4)16-11(2)20-22(4)17(16)1
    8/h5-8,19H,9H2,1-4H3;
    XNTNHEPWXKNVBH-UHFFFAOYSA-N    		 Clc1n(nc(c1S(=O)(=O)NCc3ccc(c2c(onc2C)C)
    cc3)C)C; Cn1nc(C)c(c1Cl)[S](=O)(=O)NCc2c
    cc(cc2)c3c(C)onc3C; Cc1c(c(on1)C)c2ccc(c
    c2)CNS(=O)(=O)c3c(nn(c3Cl)C)C    		 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE
    32231 OR9
    CHEMBL53
    DB00714
    ZINC000000009073    		 1 C17 H17 N O2 InChI=1S/C17H17NO2/c1-18-
    8-7-10-3-2-4-12-15(10)13(
    18)9-11-5-6-14(19)17(20)1
    6(11)12/h2-6,13,19-20H,7-
    9H2,1H3/t13-/m1/s1;
    VMWNQDUVQKEIOC-CYBMUJFWSA-N    		 CN1CCc2cccc-3c2[C@H]1Cc4c3c(c(cc4)O)O; C
    N1CCc2cccc3c2[CH]1Cc4ccc(O)c(O)c34; CN1C
    Cc2cccc-3c2C1Cc4c3c(c(cc4)O)O; CN1CCc2cc
    cc3c2[C@H]1Cc4ccc(O)c(O)c34; C12Cc4ccc(c
    (c4c3c1c(CCN2C)ccc3)O)O    		 (6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
    32232 ORA
    CHEMBL1615565
    ZINC000004261935    		 0 C16 H12 N2 O7 S2 InChI=1S/C16H12N2O7S2/c19
    -13-7-6-10-8-12(26(20,21)
    22)9-14(27(23,24)25)15(10
    )16(13)18-17-11-4-2-1-3-5
    -11/h1-9,19H,(H,20,21,22)
    (H,23,24,25)/b18-17+;
    MPVDXIMFBOLMNW-ISLYRVAYSA-N    		 Oc1ccc2cc(cc(c2c1N=Nc3ccccc3)[S](O)(=O)=
    O)[S](O)(=O)=O; c1ccc(cc1)/N=N/c2c(ccc3c
    2c(cc(c3)S(=O)(=O)O)S(=O)(=O)O)O; c1ccc(
    cc1)N=Nc2c(ccc3c2c(cc(c3)S(=O)(=O)O)S(=O
    )(=O)O)O; O=S(=O)(O)c3c2c(ccc(O)c2/N=N/c
    1ccccc1)cc(c3)S(=O)(=O)O    		 7-hydroxy-8-[(E)-phenyldiazenyl]naphthalene-1,3-disulfonic acid;
    Orange G
    32233 ORB
    ZINC000098209274    		 2 C18 H17 Cl F N3 O3 S InChI=1S/C18H17ClFN3O3S/c
    1-10(23-27(24,25)17-11(2)
    22-26-12(17)3)13-4-6-14(7
    -5-13)16-8-15(20)9-21-18(
    16)19/h4-10,23H,1-3H3/t10
    -/m1/s1;
    UOZIRTCHSJAAOG-SNVBAGLBSA-N    		 Cc1c(c(on1)C)S(=O)(=O)NC(C)c2ccc(cc2)c3c
    c(cnc3Cl)F; Cc1c(c(on1)C)S(=O)(=O)N[C@H]
    (C)c2ccc(cc2)c3cc(cnc3Cl)F; C[CH](N[S](=
    O)(=O)c1c(C)onc1C)c2ccc(cc2)c3cc(F)cnc3C
    l; O=S(=O)(c1c(onc1C)C)NC(c3ccc(c2cc(F)c
    nc2Cl)cc3)C; C[C@@H](N[S](=O)(=O)c1c(C)o
    nc1C)c2ccc(cc2)c3cc(F)cnc3Cl    		 N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE
    32234 ORC
    ZINC000098209275    		 1 C18 H21 N3 O4 S InChI=1S/C18H21N3O4S/c1-1
    0(21-26(22,23)18-12(3)20-
    25-14(18)5)15-6-8-16(9-7-
    15)17-11(2)19-24-13(17)4/
    h6-10,21H,1-5H3/t10-/m1/s
    1;
    QXPXDFCURRGQGI-SNVBAGLBSA-N    		 C[C@@H](N[S](=O)(=O)c1c(C)onc1C)c2ccc(cc
    2)c3c(C)onc3C; C[CH](N[S](=O)(=O)c1c(C)o
    nc1C)c2ccc(cc2)c3c(C)onc3C; Cc1c(c(on1)C
    )c2ccc(cc2)[C@@H](C)NS(=O)(=O)c3c(noc3C)
    C; Cc1c(c(on1)C)c2ccc(cc2)C(C)NS(=O)(=O)
    c3c(noc3C)C; O=S(=O)(c1c(onc1C)C)NC(c3cc
    c(c2c(onc2C)C)cc3)C    		 (R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE
    32235 ORD
    CHEMBL103686
    ZINC000001532678    		 7 C5 H12 N2 O2 InChI=1S/C5H12N2O2/c6-3-1
    -2-4(7)5(8)9/h4H,1-3,6-7H
    2,(H,8,9)/t4-/m1/s1;
    AHLPHDHHMVZTML-SCSAIBSYSA-N    		 C(C[C@H](C(=O)O)N)CN; NCCC[CH](N)C(O)=O;
    O=C(O)C(N)CCCN; NCCC[C@@H](N)C(O)=O; C(
    CC(C(=O)O)N)CN    		 D-ORNITHINE
    32236 ORE
    DB04750
    ZINC000012504493    		 3 C21 H10 F2 O7 InChI=1S/C21H10F2O7/c22-1
    3-4-11-17(6-15(13)24)30-1
    8-7-16(25)14(23)5-12(18)1
    9(11)9-2-1-8(20(26)27)3-1
    0(9)21(28)29/h1-7,24H,(H,
    26,27)(H,28,29);
    BRJCLSQFZSHLRL-UHFFFAOYSA-N    		 c1cc(c(cc1C(=O)O)C(=O)O)C2=C3C=C(C(=O)C=
    C3Oc4c2cc(c(c4)O)F)F; O=C(O)c4ccc(C=1c3c
    (OC=2C=1C=C(F)C(=O)C=2)cc(O)c(F)c3)c(C(=
    O)O)c4; OC(=O)c1ccc(c(c1)C(O)=O)C2=C3C=C
    (F)C(=O)C=C3Oc4cc(O)c(F)cc24    		 4-(2,7-DIFLUORO-6-HYDROXY-3-OXO-3H-XANTHEN-9-YL)ISOPHTHALIC ACID;
    OREGON GREEN 488 CARBOXYLATE
    32237 ORF 1 C25 H18 Cl2 F2 N8 O InChI=1S/C25H18Cl2F2N8O/c
    26-17-4-6-21(36-13-31-33-
    34-36)24(25(17)29)15-3-5-
    20(37(38)12-15)22(7-14-1-
    2-14)35-11-16(8-32-35)23-
    18(27)9-30-10-19(23)28/h3
    -6,8-14,22H,1-2,7H2/t22-/
    m1/s1;
    HHZXBCQTDGQCBH-JOCHJYFZSA-N    		 c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-]
    )[C@@H](CC4CC4)n5cc(cn5)c6c(cncc6Cl)F; c
    1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-])
    C(CC4CC4)n5cc(cn5)c6c(cncc6Cl)F; [O-][n+
    ]1cc(ccc1[C@@H](CC2CC2)n3cc(cn3)c4c(F)cn
    cc4Cl)c5c(F)c(Cl)ccc5n6cnnn6; [O-][n+]1c
    c(ccc1[CH](CC2CC2)n3cc(cn3)c4c(F)cncc4Cl
    )c5c(F)c(Cl)ccc5n6cnnn6; Fc1c(Cl)ccc(n2c
    nnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1cc(
    cn1)c1c(F)cncc1Cl    		 3-chloranyl-4-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-5-fluoranyl-pyridine
    32238 ORG
    CHEMBL1084679
    ZINC000006745699    		 1 C14 H21 N7 InChI=1S/C14H21N7/c15-10-
    12-18-13(17-11-4-2-1-3-5-
    11)20-14(19-12)21-8-6-16-
    7-9-21/h11,16H,1-9H2,(H,1
    7,18,19,20);
    ZBLLHXCRPWKVCY-UHFFFAOYSA-N    		 C1CCC(CC1)Nc2nc(nc(n2)N3CCNCC3)C#N; N#Cc
    1nc(NC2CCCCC2)nc(n1)N3CCNCC3    		 4-(cyclohexylamino)-6-piperazin-1-yl-1,3,5-triazine-2-carbonitrile
    32239 ORH
    CHEMBL1084114
    ZINC000049046145    		 2 C19 H20 F3 N5 O2 InChI=1S/C19H20F3N5O2/c20
    -19(21,22)14-6-4-7-15(12-
    14)27-18(29)26(17(28)16(1
    3-23)24-27)11-5-10-25-8-2
    -1-3-9-25/h4,6-7,12H,1-3,
    5,8-11H2;
    HKAVWQNLXOMWLR-UHFFFAOYSA-N    		 FC(F)(F)c1cccc(c1)N2N=C(C#N)C(=O)N(CCCN3
    CCCCC3)C2=O; c1cc(cc(c1)N2C(=O)N(C(=O)C(
    =N2)C#N)CCCN3CCCCC3)C(F)(F)F    		 3,5-dioxo-4-(3-piperidin-1-ylpropyl)-2-[3-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carbonitrile
    32240 ORI
    ZINC000004416663    		 8 C16 H12 N2 O4 S InChI=1S/C16H12N2O4S/c19-
    16-10-9-15(13-3-1-2-4-14(
    13)16)18-17-11-5-7-12(8-6
    -11)23(20,21)22/h1-10,19H
    ,(H,20,21,22)/b18-17+;
    PURJGKXXWJKIQR-ISLYRVAYSA-N    		 Oc1ccc(N=Nc2ccc(cc2)[S](O)(=O)=O)c3ccccc
    13; c1ccc2c(c1)c(ccc2O)N=Nc3ccc(cc3)S(=O
    )(=O)O; c1ccc2c(c1)c(ccc2O)/N=N/c3ccc(cc
    3)S(=O)(=O)O; O=S(=O)(O)c3ccc(/N=N/c2c1c
    cccc1c(O)cc2)cc3    		 4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid;
    Orange I
    32241 ORJ 16 C16 H13 F N2 O3 S InChI=1S/C16H13FN2O3S/c1-
    18-15(21)6-9-2-4-11(8-13(
    9)20)22-16-19-12-5-3-10(1
    7)7-14(12)23-16/h2-5,7-8,
    20H,6H2,1H3,(H,18,21);
    VNVALNOVDDOJNH-UHFFFAOYSA-N    		 CNC(=O)Cc1ccc(cc1O)Oc2nc3ccc(cc3s2)F; n2
    c(Oc1cc(c(CC(NC)=O)cc1)O)sc3c2ccc(c3)F;
    CNC(=O)Cc1ccc(Oc2sc3cc(F)ccc3n2)cc1O    		 2-{4-[(6-fluoro-1,3-benzothiazol-2-yl)oxy]-2-hydroxyphenyl}-N-methylacetamide
    32242 ORK
    ZINC000029337388    		 1 C25 H34 N3 O7 P InChI=1S/C25H34N3O7P/c1-1
    7(2)14-21(23(29)26-18(3)2
    4(30)31)28-36(33,34)22(15
    -19-10-6-4-7-11-19)27-25(
    32)35-16-20-12-8-5-9-13-2
    0/h4-13,17-18,21-22H,14-1
    6H2,1-3H3,(H,26,29)(H,27,
    32)(H,30,31)(H2,28,33,34)
    /t18-,21-,22-/m0/s1;
    PREBTZMCCRSQJI-NYVOZVTQSA-N    		 C[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NP(=O)
    ([C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)O; CC
    (C)CC(C(=O)NC(C)C(=O)O)NP(=O)(C(Cc1ccccc
    1)NC(=O)OCc2ccccc2)O; CC(C)C[CH](N[P](O)
    (=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O
    )N[CH](C)C(O)=O; CC(C)C[C@H](N[P](O)(=O)
    [C@@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)N
    [C@@H](C)C(O)=O    		 (2~{S})-2-[[(2~{S})-4-methyl-2-[[oxidanyl-[(1~{S})-2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphoryl]amino]pentanoyl]amino]propanoic acid
    32243 ORL 2 C17 H11 F3 N4 O2 S InChI=1S/C17H11F3N4O2S/c1
    8-17(19,20)13-6-4-11(5-7-
    13)14-22-23-16(27)24(14)2
    1-9-10-2-1-3-12(8-10)15(2
    5)26/h1-9H,(H,23,27)(H,25
    ,26)/b21-9+;
    PJNXGQNXUOFJCG-ZVBGSRNCSA-N    		 OC(=O)c1cccc(/C=N/n2c(S)nnc2c3ccc(cc3)C(
    F)(F)F)c1; c1cc(cc(c1)C(=O)O)C=Nn2c(nnc2
    S)c3ccc(cc3)C(F)(F)F; OC(=O)c1cccc(C=Nn2
    c(S)nnc2c3ccc(cc3)C(F)(F)F)c1; c1cc(cc(c
    1)C(=O)O)/C=N/n2c(nnc2S)c3ccc(cc3)C(F)(F
    )F    		 3-[(~{E})-[3-sulfanyl-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
    32244 ORM
    CHEMBL4454026    		 1 C11 H14 Cl2 N2 O3 S InChI=1S/C11H14Cl2N2O3S/c
    1-7(2)15-19(17,18)10-5-8(
    3-4-9(10)13)14-11(16)6-12
    /h3-5,7,15H,6H2,1-2H3,(H,
    14,16);
    KNMHYCCVNWINHU-UHFFFAOYSA-N    		 CC(C)NS(=O)(=O)c1cc(ccc1Cl)NC(=O)CCl; CC
    (C)N[S](=O)(=O)c1cc(NC(=O)CCl)ccc1Cl; C(
    C(Nc1ccc(Cl)c(c1)S(=O)(=O)NC(C)C)=O)Cl    		 2-chloro-N-{4-chloro-3-[(propan-2-yl)sulfamoyl]phenyl}acetamide
    32245 ORN
    CHEMBL446143
    DB00129
    ZINC000001532530    		 163 C5 H12 N2 O2 InChI=1S/C5H12N2O2/c6-3-1
    -2-4(7)5(8)9/h4H,1-3,6-7H
    2,(H,8,9)/t4-/m0/s1;
    AHLPHDHHMVZTML-BYPYZUCNSA-N    		 C(C[C@@H](C(=O)O)N)CN; NCCC[CH](N)C(O)=O
    ; NCCC[C@H](N)C(O)=O; O=C(O)C(N)CCCN; C(
    CC(C(=O)O)N)CN    		 L-ornithine
    32246 ORO
    CHEMBL1235017
    DB02262
    ZINC000001408068    		 4 C5 H4 N2 O4 InChI=1S/C5H4N2O4/c8-3-1-
    2(4(9)10)6-5(11)7-3/h1H,(
    H,9,10)(H2,6,7,8,11);
    PXQPEWDEAKTCGB-UHFFFAOYSA-N    		 OC(=O)C1=CC(=O)NC(=O)N1; C1=C(NC(=O)NC1=
    O)C(=O)O; O=C(O)C1=CC(=O)NC(=O)N1    		 OROTIC ACID
    32247 ORP
    ZINC000003869833    		 0 C5 H11 O7 P InChI=1S/C5H11O7P/c6-3-1-
    5(7)12-4(3)2-11-13(8,9)10
    /h3-7H,1-2H2,(H2,8,9,10)/
    t3-,4+,5-/m0/s1;
    KKZFLSZAWCYPOC-LMVFSUKVSA-N    		 O[CH]1C[CH](O)[CH](CO[P](O)(O)=O)O1; O=P
    (OCC1OC(O)CC1O)(O)O; C1C(C(OC1O)COP(=O)(
    O)O)O; C1[C@@H]([C@H](O[C@@H]1O)COP(=O)(
    O)O)O; O[C@@H]1C[C@H](O)[C@@H](CO[P](O)(
    O)=O)O1    		 2-DEOXY-5-PHOSPHONO-RIBOSE
    32248 ORQ
    ZINC000003650287    		 0 C7 H14 N2 O3 InChI=1S/C7H14N2O3/c1-5(1
    0)9-4-2-3-6(8)7(11)12/h6H
    ,2-4,8H2,1H3,(H,9,10)(H,1
    1,12)/t6-/m0/s1;
    SRXKAYJJGAAOBP-LURJTMIESA-N    		 CC(=O)NCCC[CH](N)C(O)=O; CC(=O)NCCC[C@H]
    (N)C(O)=O; CC(=O)NCCCC(C(=O)O)N; CC(=O)N
    CCC[C@@H](C(=O)O)N; O=C(NCCCC(N)C(=O)O)C    		 N~5~-ACETYL-L-ORNITHINE
    32249 ORR 1 C16 H16 Cl N3 O InChI=1S/C16H16ClN3O/c17-
    12-4-1-3-11(7-12)8-16(21)
    20-6-2-5-13-14(18)9-19-10
    -15(13)20/h1,3-4,7,9-10H,
    2,5-6,8,18H2;
    KFDIFJWRZNKQEO-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)N2CCCc3c2cncc3N; Nc1
    cncc2N(CCCc12)C(=O)Cc3cccc(Cl)c3; Clc1cc
    cc(c1)CC(=O)N1CCCc2c1cncc2N    		 1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one
    32250 ORS 1 C10 H15 Cl2 Rh InChI=1S/C10H15.2ClH.Rh/c
    1-6-7(2)9(4)10(5)8(6)3;;;
    /h1-5H3;2*1H;/q;;;+2/p-2;
    QVLTVILSYOWFRM-UHFFFAOYSA-L    		 C12(C)C3(C)C4(C)C5(C)C1(C)[Rh]2345(Cl)Cl
    ; CC1C(C)C(C)C(C)C1C.Cl[Rh]Cl; CC12C3([R
    h]145(C2(C4(C53C)C)C)(Cl)Cl)C    		 dichloro[(1,2,3,4,5-eta)-pentamethylcyclopentadienyl]rhodium
    32251 ORT 0 C5 H11 N3 O3 InChI=1S/C5H11N3O3/c6-3(5
    (10)11)1-2-4(9)8-7/h3H,1-
    2,6-7H2,(H,8,9)(H,10,11)/
    t3-/m0/s1;
    MOFBPUBBBREDCE-VKHMYHEASA-N    		 C(CC(=O)NN)C(C(=O)O)N; C(CC(=O)NN)[C@@H]
    (C(=O)O)N; NNC(=O)CC[CH](N)C(O)=O; NNC(=
    O)CC[C@H](N)C(O)=O    		 (4~{S})-4-azanyl-5-oxidanylidene-pentanehydrazide
    32252 ORU 1 C23 H18 Cl F N8 O S InChI=1S/C23H18ClFN8OS/c2
    4-17-4-6-19(32-12-27-29-3
    0-32)22(23(17)25)15-3-5-1
    8(33(34)11-15)20(7-14-1-2
    -14)31-10-16(8-28-31)21-9
    -26-13-35-21/h3-6,8-14,20
    H,1-2,7H2/t20-/m1/s1;
    UDBRBOWRYPFBIN-HXUWFJFHSA-N    		 c1cc([n+](cc1c2c(ccc(c2F)Cl)n3cnnn3)[O-]
    )C(CC4CC4)n5cc(cn5)c6cncs6; Fc1c(Cl)ccc(
    n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)n1
    ncc(c1)c1cncs1; c1cc([n+](cc1c2c(ccc(c2F
    )Cl)n3cnnn3)[O-])[C@@H](CC4CC4)n5cc(cn5)
    c6cncs6; [O-][n+]1cc(ccc1[C@@H](CC2CC2)n
    3cc(cn3)c4scnc4)c5c(F)c(Cl)ccc5n6cnnn6;
    [O-][n+]1cc(ccc1[CH](CC2CC2)n3cc(cn3)c4s
    cnc4)c5c(F)c(Cl)ccc5n6cnnn6    		 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-1,3-thiazole
    32253 ORV
    CHEMBL4645542    		 2 C30 H39 N3 O8 InChI=1S/C30H39N3O8/c1-19
    (31-29(36)38-2)27(35)33-2
    4(16-21-11-7-4-8-12-21)25
    (34)17-22(15-20-9-5-3-6-1
    0-20)32-30(37)41-26-18-40
    -28-23(26)13-14-39-28/h3-
    12,19,22-26,28,34H,13-18H
    2,1-2H3,(H,31,36)(H,32,37
    )(H,33,35)/t19-,22-,23-,2
    4-,25-,26-,28+/m0/s1;
    WENVZQWSDCKTAH-JKFUCYDASA-N    		 COC(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)
    [C@@H](O)C[C@H](Cc2ccccc2)NC(=O)O[C@H]3C
    O[C@H]4OCC[C@@H]34; CC(C(=O)NC(Cc1ccccc1
    )C(CC(Cc2ccccc2)NC(=O)OC3COC4C3CCO4)O)NC
    (=O)OC; C[C@@H](C(=O)N[C@@H](Cc1ccccc1)[
    C@H](C[C@H](Cc2ccccc2)NC(=O)O[C@H]3CO[C@
    @H]4[C@H]3CCO4)O)NC(=O)OC; c1(ccccc1)CC(
    C(CC(NC(OC2C3C(OC2)OCC3)=O)Cc4ccccc4)O)N
    C(=O)C(C)NC(OC)=O; COC(=O)N[CH](C)C(=O)N
    [CH](Cc1ccccc1)[CH](O)C[CH](Cc2ccccc2)NC
    (=O)O[CH]3CO[CH]4OCC[CH]34    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,4S,5S)-4-hydroxy-5-{[N-(methoxycarbonyl)-L-alanyl]amino}-1,6-diphenylhexan-2-yl]carbamate
    32254 ORW 1 C17 H27 N5 O2 InChI=1S/C17H27N5O2/c1-13
    (2)10-15(16(23)22(4)21(3)
    12-18)20-17(24)19-11-14-8
    -6-5-7-9-14/h5-9,12-13,15
    ,18H,10-11H2,1-4H3,(H2,19
    ,20,24)/b18-12-/t15-/m0/s
    1;
    DZXGVGCCLHWTMQ-BRYHAGSVSA-N    		 [H]/N=C\N(C)N(C)C(=O)[C@H](CC(C)C)NC(=O)
    NCc1ccccc1; CC(C)C[C@H](NC(=O)NCc1ccccc1
    )C(=O)N(C)N(C)C=N; CC(C)CC(C(=O)N(C)N(C)
    C=N)NC(=O)NCc1ccccc1; CC(C)C[CH](NC(=O)N
    Cc1ccccc1)C(=O)N(C)N(C)C=N    		 1-[(2~{S})-1-[[iminomethyl(methyl)amino]-methyl-amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-3-(phenylmethyl)urea
    32255 ORX
    ZINC000002047626    		 9 C13 H22 N3 O7 P InChI=1S/C13H22N3O7P/c1-8
    -12(17)10(6-16-11(13(18)1
    9)3-2-4-14)9(5-15-8)7-23-
    24(20,21)22/h5,11,16-17H,
    2-4,6-7,14H2,1H3,(H,18,19
    )(H2,20,21,22)/t11-/m1/s1;
    OIRLUPUXIUAWOH-LLVKDONJSA-N    		 O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCN
    ; Cc1ncc(CO[P](O)(O)=O)c(CN[C@H](CCCN)C(
    O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CN[CH](
    CCCN)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)
    O)CN[C@H](CCCN)C(=O)O)O; Cc1c(c(c(cn1)CO
    P(=O)(O)O)CNC(CCCN)C(=O)O)O    		 N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-ORNITHINE
    32256 ORZ 2 C23 H27 N2 O4 InChI=1S/C23H27N2O4/c1-4-
    16-13-25-11-9-18-17-7-5-6
    -8-20(17)24-21(18)23(22(2
    7)28-3,14-29-15(2)26)19(1
    6)10-12-25/h4-8,13,19,24H
    ,9-12,14H2,1-3H3/q+1/b16-
    4-/t19-,23-/m0/s1;
    YCGQEMDBJBQBSW-ISNKGDJGSA-N    		 CC=C1C=[N+]2CCc3c4ccccc4[nH]c3C(C1CC2)(C
    OC(=O)C)C(=O)OC; COC(=O)[C@@]1(COC(C)=O)
    [C@H]\2CC[N@+](=CC\2=C/C)CCc3c1[nH]c4ccc
    cc34; COC(=O)[C]1(COC(C)=O)[CH]2CC[N+](=
    CC2=CC)CCc3c1[nH]c4ccccc34; C/C=C\1/C=[N
    +]2CCc3c4ccccc4[nH]c3[C@@]([C@H]1CC2)(CO
    C(=O)C)C(=O)OC    		 precondylocarpine acetate;
    methyl (1~{S},2~{S},16~{E})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5(10),6,8,14-pentaene-2-carboxylate
    32257 OS 12 Os InChI=1S/Os/q+3;
    XQBKHDFIPARBOX-UHFFFAOYSA-N    		 [Os+3] OSMIUM ION
    32258 OS0 2 C4 H6 N2 O2 InChI=1S/C4H6N2O2/c7-3-1-
    2-5-4(8)6-3/h1-3,7H,(H2,5
    ,6,8);
    DEAAWXYGBWCVJW-UHFFFAOYSA-N    		 O[CH]1NC(=O)NC=C1; C1=CNC(=O)NC1O; O[C@H
    ]1NC(=O)NC=C1    		 4-oxidanyl-3,4-dihydro-1H-pyrimidin-2-one
    32259 OS1 2 C24 H16 Cl N6 O3 Ru InChI=1S/C17H10N4O2.C6H7N
    2.CO.ClH.Ru/c18-7-5-9-12-
    13(17(23)21-16(12)22)11-8
    -3-1-2-4-10(8)20-15(11)14
    (9)19-6-7;7-5-6-3-1-2-4-8
    -6;1-2;;/h1-6H,(H4,18,19,
    20,21,22,23);1-4,7H,5H2;;
    1H;/q;-1;;;+3/p-2;
    QQATVYHLKPGOMG-UHFFFAOYSA-L    		 Nc1cn2|[Ru]|3(Cl)(|[C-]#[O+])(NCc4ccccn|
    34)n5c6ccccc6c7c5c2c(c1)c8C(=O)NC(=O)c78
    ; c1ccc2c(c1)c3c4c(c5c6c3n2[Ru]7([N]6=CC
    (=C5)N)(NCC8=[N]7C=CC=C8)(C#O)Cl)C(=O)NC
    4=O    		 Ruthenium octasporine
    32260 OS2
    CHEMBL4445386    		 3 C15 H19 N5 O S InChI=1S/C15H19N5OS/c1-2-
    3-22-8-11-6-20(7-12(11)21
    )5-10-4-17-14-13(10)18-9-
    19-15(14)16/h1,4,9,11-12,
    17,21H,3,5-8H2,(H2,16,18,
    19)/t11-,12+/m1/s1;
    MQJBNGGMAUMWEV-NEPJUHHUSA-N    		 C#CCSC[C@H]1CN(C[C@@H]1O)Cc2c[nH]c3c2ncn
    c3N; Nc1ncnc2c(CN3C[CH](O)[CH](CSCC#C)C3
    )c[nH]c12; C#CCSCC1CN(CC1O)Cc2c[nH]c3c2n
    cnc3N; OC3CN(Cc2c1ncnc(c1nc2)N)CC3CSCC#C
    ; Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSCC#C)C3
    )c[nH]c12    		 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
    32261 OS3
    CHEMBL4465346    		 3 C17 H23 N5 O S InChI=1S/C17H23N5OS/c1-2-
    3-4-5-24-10-13-8-22(9-14(
    13)23)7-12-6-19-16-15(12)
    20-11-21-17(16)18/h1,6,11
    ,13-14,19,23H,3-5,7-10H2,
    (H2,18,20,21)/t13-,14+/m1
    /s1;
    QRFSYYUFBJRRLL-KGLIPLIRSA-N    		 Nc1ncnc2c(CN3C[CH](O)[CH](CSCCCC#C)C3)c[
    nH]c12; Nc1ncnc2c(CN3C[C@H](O)[C@@H](CSC
    CCC#C)C3)c[nH]c12; Nc1c2ncc(c2ncn1)CN3CC
    (O)C(C3)CSCCCC#C; C#CCCCSCC1CN(CC1O)Cc2c
    [nH]c3c2ncnc3N; C#CCCCSC[C@H]1CN(C[C@@H]
    1O)Cc2c[nH]c3c2ncnc3N    		 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol
    32262 OS4 1 Os InChI=1S/Os/q+4;
    OQURWADGXKZUIH-UHFFFAOYSA-N    		 [Os+4] OSMIUM 4+ ION
    32263 OS5
    CHEMBL4439603    		 5 C24 H30 N8 O S InChI=1S/C24H30N8OS/c25-2
    4-23-22(27-16-28-24)18(9-
    26-23)11-31-12-19(21(33)1
    4-31)15-34-8-4-7-20-13-32
    (30-29-20)10-17-5-2-1-3-6
    -17/h1-3,5-6,9,13,16,19,2
    1,26,33H,4,7-8,10-12,14-1
    5H2,(H2,25,27,28)/t19-,21
    +/m1/s1;
    BROXRHKDLDDNBO-CTNGQTDRSA-N    		 c1ccc(cc1)Cn2cc(nn2)CCCSCC3CN(CC3O)Cc4c[
    nH]c5c4ncnc5N; c1ccc(cc1)Cn2cc(nn2)CCCSC
    [C@H]3CN(C[C@@H]3O)Cc4c[nH]c5c4ncnc5N; O
    C3CN(Cc1cnc2c1ncnc2N)CC3CSCCCc4nnn(c4)Cc
    5ccccc5; Nc1ncnc2c(CN3C[C@H](O)[C@@H](CS
    CCCc4cn(Cc5ccccc5)nn4)C3)c[nH]c12; Nc1nc
    nc2c(CN3C[CH](O)[CH](CSCCCc4cn(Cc5ccccc5
    )nn4)C3)c[nH]c12    		 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-benzyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
    32264 OS6
    CHEMBL4450105    		 9 C21 H32 N8 O S InChI=1S/C21H32N8OS/c1-2-
    3-6-29-11-17(26-27-29)5-4
    -7-31-13-16-10-28(12-18(1
    6)30)9-15-8-23-20-19(15)2
    4-14-25-21(20)22/h8,11,14
    ,16,18,23,30H,2-7,9-10,12
    -13H2,1H3,(H2,22,24,25)/t
    16-,18+/m1/s1;
    RDPUFRZNTDIFPO-AEFFLSMTSA-N    		 CCCCn1cc(nn1)CCCSC[C@H]2CN(C[C@@H]2O)Cc3
    c[nH]c4c3ncnc4N; CCCCn1cc(CCCSC[CH]2CN(C
    [CH]2O)Cc3c[nH]c4c(N)ncnc34)nn1; CCCCn1c
    c(CCCSC[C@H]2CN(C[C@@H]2O)Cc3c[nH]c4c(N)
    ncnc34)nn1; CCCCn1cc(nn1)CCCSCC2CN(CC2O)
    Cc3c[nH]c4c3ncnc4N; OC1C(CN(C1)Cc3c2ncnc
    (N)c2nc3)CSCCCc4cn(nn4)CCCC    		 (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol
    32265 OS7
    CHEMBL4535045    		 8 C23 H22 N4 O InChI=1S/C23H22N4O/c1-15-
    10-23(25)27-21-12-17(5-7-
    20(15)21)16-6-8-22(18(11-
    16)13-24)28-14-19-4-2-3-9
    -26-19/h2-12H,13-14,24H2,
    1H3,(H2,25,27);
    IYSGQZIVZRDDAE-UHFFFAOYSA-N    		 c41c(c(cc(n1)N)C)ccc(c2cc(c(cc2)OCc3cccc
    n3)CN)c4; Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4
    ccccn4)c(CN)c3; Cc1cc(nc2c1ccc(c2)c3ccc(
    c(c3)CN)OCc4ccccn4)N    		 7-{3-(aminomethyl)-4-[(pyridin-2-yl)methoxy]phenyl}-4-methylquinolin-2-amine
    32266 OS8
    CHEMBL5076790    		 2 C24 H30 N4 O3 InChI=1S/C24H30N4O3/c1-16
    -14-22(29)27-20-8-3-7-19(
    23(20)26-16)24(30)25-11-5
    -13-28-12-4-6-17-9-10-18(
    31-2)15-21(17)28/h3,7-10,
    15-16,26H,4-6,11-14H2,1-2
    H3,(H,25,30)(H,27,29)/t16
    -/m1/s1;
    XZQSPHYHBYGJPB-MRXNPFEDSA-N    		 C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3CC
    Cc4c3cc(cc4)OC; COc1ccc2CCCN(CCCNC(=O)c3
    cccc4NC(=O)C[CH](C)Nc34)c2c1; COc1ccc2CC
    CN(CCCNC(=O)c3cccc4NC(=O)C[C@@H](C)Nc34)
    c2c1; CC1CC(=O)Nc2cccc(c2N1)C(=O)NCCCN3C
    CCc4c3cc(cc4)OC    		 (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide
    32267 OS9 1 C29 H33 N3 O3 InChI=1S/C29H33N3O3/c1-34
    -26-12-5-6-13-27(26)35-25
    -11-7-10-24(20-25)21-31-1
    8-15-29(16-19-31)28(33)30
    -22-32(29)17-14-23-8-3-2-
    4-9-23/h2-13,20H,14-19,21
    -22H2,1H3,(H,30,33);
    MRXASGVUQJVWMP-UHFFFAOYSA-N    		 COc1ccccc1Oc2cccc(c2)CN3CCC4(CC3)C(=O)NC
    N4CCc5ccccc5; COc1ccccc1Oc2cccc(CN3CCC4(
    CC3)N(CCc5ccccc5)CNC4=O)c2    		 8-[[3-(2-methoxyphenoxy)phenyl]methyl]-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one;
    LMD-009
    32268 OSA
    CHEMBL1092443
    ZINC000005010475    		 2 C20 H15 N3 O8 S2 InChI=1S/C20H15N3O8S2/c21
    -12-1-3-16-10(5-12)8-18(3
    3(29,30)31)19(20(16)25)23
    -22-13-2-4-15-11(6-13)7-1
    4(9-17(15)24)32(26,27)28/
    h1-9,24-25H,21H2,(H,26,27
    ,28)(H,29,30,31)/b23-22+;
    ZSHNSNDVNDUHIM-GHVJWSGMSA-N    		 c1cc2c(cc1N)cc(c(c2O)N=Nc3ccc4c(c3)cc(cc
    4O)S(=O)(=O)O)S(=O)(=O)O; Nc1ccc2c(O)c(N
    =Nc3ccc4c(O)cc(cc4c3)[S](O)(=O)=O)c(cc2c
    1)[S](O)(=O)=O; O=S(=O)(O)c4cc3cc(/N=N/c
    2c(O)c1c(cc(cc1)N)cc2S(=O)(=O)O)ccc3c(O)
    c4; c1cc2c(cc1N)cc(c(c2O)/N=N/c3ccc4c(c3
    )cc(cc4O)S(=O)(=O)O)S(=O)(=O)O    		 7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid
    32269 OSB
    DB02251    		 9 C11 H10 O5 InChI=1S/C11H10O5/c12-9(5
    -6-10(13)14)7-3-1-2-4-8(7
    )11(15)16/h1-4H,5-6H2,(H,
    13,14)(H,15,16);
    YIVWQNVQRXFZJB-UHFFFAOYSA-N    		 O=C(O)c1ccccc1C(=O)CCC(=O)O; OC(=O)CCC(=
    O)c1ccccc1C(O)=O; c1ccc(c(c1)C(=O)CCC(=O
    )O)C(=O)O    		 2-SUCCINYLBENZOATE;
    O-SUCCINYLBENZOATE
    32270 OSC
    CHEMBL541173
    ZINC000003952509    		 2 C34 H44 N6 O5 InChI=1S/C34H44N6O5/c35-3
    4(36)39-16-14-24(21-39)13
    -15-37-31(43)29-19-25-11-
    12-26(41)20-28(25)40(29)3
    3(45)27(17-22-7-3-1-4-8-2
    2)38-32(44)30(42)18-23-9-
    5-2-6-10-23/h1-10,14,25-3
    0,41-42H,11-13,15-21H2,(H
    3,35,36)(H,37,43)(H,38,44
    )/t25-,26+,27+,28-,29-,30
    +/m0/s1;
    YNAKQOCSOOKXJP-VCNFNBSBSA-N    		 NC(=N)N1CC=C(CCNC(=O)[CH]2C[CH]3CC[CH](O
    )C[CH]3N2C(=O)[CH](Cc4ccccc4)NC(=O)[CH](
    O)Cc5ccccc5)C1; c1ccc(cc1)CC(C(=O)N2C3CC
    (CCC3CC2C(=O)NCCC4=CCN(C4)C(=N)N)O)NC(=O
    )C(Cc5ccccc5)O; O=C(NC(C(=O)N1C3CC(O)CCC
    3CC1C(=O)NCCC2=CCN(C(=[N@H])N)C2)Cc4cccc
    c4)C(O)Cc5ccccc5; NC(=N)N1CC=C(CCNC(=O)[
    C@@H]2C[C@@H]3CC[C@@H](O)C[C@@H]3N2C(=O)
    [C@@H](Cc4ccccc4)NC(=O)[C@H](O)Cc5ccccc5
    )C1; c1ccc(cc1)C[C@H](C(=O)N2[C@H]3C[C@@
    H](CC[C@H]3C[C@H]2C(=O)NCCC4=CCN(C4)C(=N
    )N)O)NC(=O)[C@@H](Cc5ccccc5)O    		 (2R,3AS,6R,7AS)-N-(2-{1-[AMINO(IMINO)METHYL]-2,5-DIHYDRO-1H-PYRROL-3-YL}ETHYL)-6-HYDROXY-1-{N-[(2S)-2-HYDROXY-3-PHENYLPROPANOYL]PHENYLALANYL}OCTAHYDRO-1H-INDOLE-2-CARBOXAMIDE;
    OSCILLARIN;
    (2R,3AS,6R,7AS)-6-HYDROXY-1-{(2R)-2-[(2R)-2-HYDROXY-3-PHENYL-PROPIONYLAMINO]-3-PHENYL-PROPIONYL}-OCTAHYDORO-INDOLE-2-CARBOXYLIC ACID [2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)-ETHYL]-AMIDE
    32271 OSD
    CHEMBL4465509    		 16 C20 H23 N3 O InChI=1S/C20H23N3O/c1-12(
    2)24-19-7-5-14(9-16(19)11
    -21)15-4-6-17-13(3)8-20(2
    2)23-18(17)10-15/h4-10,12
    H,11,21H2,1-3H3,(H2,22,23
    );
    RMUSFJBGBOTWMV-UHFFFAOYSA-N    		 c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C)
    C)CN; Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OC
    (C)C)N; CC(C)Oc1ccc(cc1CN)c2ccc3c(C)cc(N
    )nc3c2    		 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine
    32272 OSE
    CHEMBL28885
    DB03497
    ZINC000004095907    		 1 C3 H7 N O6 S InChI=1S/C3H7NO6S/c4-2(3(
    5)6)1-10-11(7,8)9/h2H,1,4
    H2,(H,5,6)(H,7,8,9)/t2-/m
    0/s1;
    LFZGUGJDVUUGLK-REOHCLBHSA-N    		 C([C@@H](C(=O)O)N)OS(=O)(=O)O; O=S(=O)(O
    )OCC(C(=O)O)N; N[CH](CO[S](O)(=O)=O)C(O)
    =O; C(C(C(=O)O)N)OS(=O)(=O)O; N[C@@H](CO
    [S](O)(=O)=O)C(O)=O    		 O-SULFO-L-SERINE
    32273 OSF 19 C8 H17 O4 S InChI=1S/C8H18O4S/c1-2-3-
    4-5-6-7-8-12-13(9,10)11/h
    2-8H2,1H3,(H,9,10,11)/p-1;
    UZZYXUGECOQHPU-UHFFFAOYSA-M    		 [O-]S(=O)(=O)OCCCCCCCC; CCCCCCCCOS(=O)(=
    O)[O-]; CCCCCCCCO[S]([O-])(=O)=O    		 octyl sulfate
    32274 OSG
    CHEMBL4588416    		 12 C20 H23 N3 O InChI=1S/C20H23N3O/c1-3-8
    -24-19-7-5-14(10-16(19)12
    -21)15-4-6-17-13(2)9-20(2
    2)23-18(17)11-15/h4-7,9-1
    1H,3,8,12,21H2,1-2H3,(H2,
    22,23);
    WKYWHPWEQYJUAT-UHFFFAOYSA-N    		 c21nc(N)cc(c1ccc(c2)c3ccc(OCCC)c(c3)CN)C
    ; CCCOc1ccc(cc1CN)c2ccc3c(cc(nc3c2)N)C;
    CCCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2    		 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine
    32275 OSI 1 C20 H17 Cl N2 O2 InChI=1S/C20H17ClN2O2/c1-
    20(8-9-25-18-7-6-14(21)10
    -16(18)20)19(24)23-17-12-
    22-11-13-4-2-3-5-15(13)17
    /h2-7,10-12H,8-9H2,1H3,(H
    ,23,24)/t20-/m1/s1;
    CPQDCUNLQZNEBN-HXUWFJFHSA-N    		 C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3c
    ccc4; Clc1ccc2OCCC(C)(c2c1)C(=O)Nc1cncc2
    ccccc21; C[C]1(CCOc2ccc(Cl)cc12)C(=O)Nc3
    cncc4ccccc34; CC1(CCOc2c1cc(cc2)Cl)C(=O)
    Nc3cncc4c3cccc4; C[C@]1(CCOc2ccc(Cl)cc12
    )C(=O)Nc3cncc4ccccc34    		 (4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    32276 OSJ
    CHEMBL4464663    		 8 C19 H21 N3 O InChI=1S/C19H21N3O/c1-3-2
    3-18-7-5-13(9-15(18)11-20
    )14-4-6-16-12(2)8-19(21)2
    2-17(16)10-14/h4-10H,3,11
    ,20H2,1-2H3,(H2,21,22);
    AGWWSGQCTLAMKS-UHFFFAOYSA-N    		 CCOc1ccc(cc1CN)c2ccc3c(C)cc(N)nc3c2; NCc
    1cc(ccc1OCC)c2ccc3c(c2)nc(cc3C)N; CCOc1c
    cc(cc1CN)c2ccc3c(cc(nc3c2)N)C    		 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine
    32277 OSL
    ZINC000013532377    		 0 C3 H6 O7 S InChI=1S/C3H6O7S/c4-2(3(5
    )6)1-10-11(7,8)9/h2,4H,1H
    2,(H,5,6)(H,7,8,9)/t2-/m1
    /s1;
    WBBSXOGBMVRPSH-UWTATZPHSA-N    		 O[CH](CO[S](O)(=O)=O)C(O)=O; O[C@H](CO[S
    ](O)(=O)=O)C(O)=O; O=S(=O)(OCC(O)C(=O)O)
    O; C(C(C(=O)O)O)OS(=O)(=O)O; C([C@H](C(=
    O)O)O)OS(=O)(=O)O    		 (2R)-2-hydroxy-3-(sulfooxy)propanoic acid
    32278 OSM 49 C H5 N O S InChI=1S/CH5NOS/c2-1-4-3/
    h4H,1-2H2;
    KONFWJXIYYGXOO-UHFFFAOYSA-N    		 C(N)S=O; NC[S@H]=O; C(N)[S@@H]=O; O=SCN;
    NC[SH]=O    		 1-(OXIDOSULFANYL)METHANAMINE
    32279 OSN
    CHEMBL5089448    		 7 C25 H31 N3 O2 InChI=1S/C25H31N3O2/c1-18
    -16-24(29)27-22-11-6-9-20
    (25(22)26-18)8-4-3-5-14-2
    8-15-7-10-19-12-13-21(30-
    2)17-23(19)28/h4,6,8-9,11
    -13,17-18,26H,3,5,7,10,14
    -16H2,1-2H3,(H,27,29)/b8-
    4+/t18-/m1/s1;
    VBTDHMQUNCGCSZ-SBLNNXNXSA-N    		 CC1CC(=O)Nc2cccc(c2N1)C=CCCCN3CCCc4c3cc(
    cc4)OC; COc1ccc2CCCN(CCCC=Cc3cccc4NC(=O)
    C[CH](C)Nc34)c2c1; COc1ccc2CCCN(CCC/C=C/
    c3cccc4NC(=O)C[C@@H](C)Nc34)c2c1; C[C@@H
    ]1CC(=O)Nc2cccc(c2N1)/C=C/CCCN3CCCc4c3cc
    (cc4)OC    		 (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
    32280 OSO 2 C23 H29 N2 O4 InChI=1S/C23H28N2O4/c1-4-
    16-13-25-11-9-18-17-7-5-6
    -8-20(17)24-21(18)23(22(2
    7)28-3,14-29-15(2)26)19(1
    6)10-12-25/h4-8,19,24H,9-
    14H2,1-3H3/p+1/b16-4-/t19
    -,23-/m0/s1;
    ZNCUMLJVNWXVLT-ISNKGDJGSA-O    		 CC=C1C[N@@H+]2CCc3c4ccccc4[nH]c3[C@@]([C
    @H]1CC2)(COC(=O)C)C(=O)OC; COC(=O)[C@@]1
    (COC(C)=O)[C@H]2CC[N@@H+](CCc3c1[nH]c4cc
    ccc34)C\C2=C\C; COC(=O)[C]1(COC(C)=O)[CH
    ]2CC[NH+](CCc3c1[nH]c4ccccc34)CC2=CC; CC
    =C1C[NH+]2CCc3c4ccccc4[nH]c3C(C1CC2)(COC
    (=O)C)C(=O)OC    		 stemmadenine acetate;
    methyl (1~{S},2~{S},14~{S})-2-(acetyloxymethyl)-16-ethylidene-4-aza-14-azoniatetracyclo[12.2.2.0^{3,11}.0^{5,10}]octadeca-3(11),5,7,9-tetraene-2-carboxylate
    32281 OSP
    CHEMBL328560
    DB08329
    ZINC000000002119    		 1 C10 H14 N2 O4 S2 InChI=1S/C10H14N2O4S2/c11
    -18(15,16)10-5-3-9(4-6-10
    )12-7-1-2-8-17(12,13)14/h
    3-6H,1-2,7-8H2,(H2,11,15,
    16);
    HMHVCUVYZFYAJI-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(cc1)N2CCCC[S]2(=O)=O;
    c1cc(ccc1N2CCCCS2(=O)=O)S(=O)(=O)N; O=S2
    (=O)N(c1ccc(cc1)S(=O)(=O)N)CCCC2    		 SULTHIAME;
    4-(1,1-DIOXIDO-1,2-THIAZINAN-2-YL)BENZENESULFONAMIDE
    32282 OSQ 7 C22 H24 F2 N4 O2 InChI=1S/C22H24F2N4O2/c1-
    14-20(29)27-17-9-4-8-16(1
    9(17)26-14)21(30)25-12-22
    (23,24)13-28-11-5-7-15-6-
    2-3-10-18(15)28/h2-4,6,8-
    10,14,26H,5,7,11-13H2,1H3
    ,(H,25,30)(H,27,29)/t14-/
    m1/s1;
    HTEQIZSWLJNYLH-CQSZACIVSA-N    		 C[C@H]1Nc2c(NC1=O)cccc2C(=O)NCC(F)(F)CN3
    CCCc4ccccc34; C[C@@H]1C(=O)Nc2cccc(c2N1)
    C(=O)NCC(CN3CCCc4c3cccc4)(F)F; CC1C(=O)N
    c2cccc(c2N1)C(=O)NCC(CN3CCCc4c3cccc4)(F)
    F; C[CH]1Nc2c(NC1=O)cccc2C(=O)NCC(F)(F)C
    N3CCCc4ccccc34    		 (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide
    32283 OSR 28 C31 H35 Br N4 O4 InChI=1S/C31H35BrN4O4/c1-
    4-20(2)29-30(38)34(18-22-
    11-14-26(40-3)25-8-6-5-7-
    24(22)25)19-27-35(16-15-2
    8(37)36(27)29)31(39)33-17
    -21-9-12-23(32)13-10-21/h
    5-14,20,27,29H,4,15-19H2,
    1-3H3,(H,33,39)/t20-,27+,
    29-/m0/s1;
    ZFXGQLLQQPADFS-XHGLXQHVSA-N    		 CC[C@H](C)[C@@H]1N2[C@H](CN(Cc3ccc(OC)c4
    ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc
    5; CCC(C)C1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc
    3ccc(cc3)Br)Cc4ccc(c5c4cccc5)OC; CC[C@H]
    (C)[C@H]1C(=O)N(C[C@H]2N1C(=O)CCN2C(=O)N
    Cc3ccc(cc3)Br)Cc4ccc(c5c4cccc5)OC; CC[CH
    ](C)[CH]1N2[CH](CN(Cc3ccc(OC)c4ccccc34)C
    1=O)N(CCC2=O)C(=O)NCc5ccc(Br)cc5    		 (6S,9aS)-N-[(4-bromophenyl)methyl]-6-[(2S)-butan-2-yl]-8-[(4-methoxynaphthalen-1-yl)methyl]-4,7-bis(oxidanylidene)-3,6,9,9a-tetrahydro-2H-pyrazino[1,2-a]pyrimidine-1-carboxamide
    32284 OSS
    DB03187
    ZINC000005975463    		 1 C11 H23 N O3 S3 InChI=1S/C11H23NO3S3/c12-
    9-16-7-5-10(18-17-8-6-13)
    3-1-2-4-11(14)15/h10,13H,
    1-9,12H2,(H,14,15)/t10-/m
    0/s1;
    BFRWEULQQALYNZ-JTQLQIEISA-N    		 C(CCC(=O)O)C[C@@H](CCSCN)SSCCO; NCSCC[CH
    ](CCCCC(O)=O)SSCCO; C(CCC(=O)O)CC(CCSCN)
    SSCCO; NCSCC[C@H](CCCCC(O)=O)SSCCO; O=C(
    O)CCCCC(SSCCO)CCSCN    		 6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID
    32285 OST
    DB08330    		 1 C19 H18 O3 InChI=1S/C19H18O3/c1-21-1
    4-18(19(20)22-2)17-11-7-6
    -10-16(17)13-12-15-8-4-3-
    5-9-15/h3-14H,1-2H3/b13-1
    2+,18-14+;
    VEJCBCPEURAYAS-MEAXDALNSA-N    		 O=C(OC)\C(=C\OC)c2ccccc2\C=C\c1ccccc1; C
    O/C=C(/C(=O)OC)c1ccccc1\C=C\c2ccccc2; CO
    \C=C(/c1ccccc1\C=C\c2ccccc2)\C(=O)OC; CO
    C=C(C(=O)OC)c1ccccc1C=Cc2ccccc2; COC=C(c
    1ccccc1C=Cc2ccccc2)C(=O)OC    		 METHYL (2Z)-3-METHOXY-2-{2-[(E)-2-PHENYLVINYL]PHENYL}ACRYLATE
    32286 OSU 0 C20 H36 O12 InChI=1S/C20H36O12/c1-2-3
    -4-5-6-7-13(23)29-9-12-15
    (25)18(28)20(10-22,31-12)
    32-19-17(27)16(26)14(24)1
    1(8-21)30-19/h11-12,14-19
    ,21-22,24-28H,2-10H2,1H3/
    t11-,12-,14-,15-,16+,17-,
    18+,19-,20+/m1/s1;
    AWSYOWHJNGZJGU-OASARBKBSA-N    		 CCCCCCCC(=O)OCC1C(C(C(O1)(CO)OC2C(C(C(C(
    O2)CO)O)O)O)O)O; CCCCCCCC(=O)OC[C@@H]1[C
    @H]([C@@H]([C@](O1)(CO)O[C@@H]2[C@@H]([C
    @H]([C@@H]([C@H](O2)CO)O)O)O)O)O; CCCCCC
    CC(=O)OC[CH]1O[C](CO)(O[CH]2O[CH](CO)[CH
    ](O)[CH](O)[CH]2O)[CH](O)[CH]1O; CCCCCCC
    C(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO
    )[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H
    ]1O; O=C(OCC2OC(OC1OC(CO)C(O)C(O)C1O)(C(
    O)C2O)CO)CCCCCCC    		 N-OCTANOYLSUCROSE;
    N-OCTANOYL-B-D-FRUCTOFURANOSYL-A-D-GLUCOPYRANOSIDE;
    SUCROSE MONOCAPROYLATE
    32287 OSV 1 C27 H31 F N4 O3 Ru S4 InChI=1S/C20H16FN3O3.C6H1
    2S3.CH2NS.Ru/c1-8(2)27-10
    -3-4-13-11(6-10)14-16-15(
    19(25)24-20(16)26)12-5-9(
    21)7-22-17(12)18(14)23-13
    ;1-2-8-5-6-9-4-3-7-1;2-1-
    3;/h3-8,15H,1-2H3,(H3,22,
    23,24,25,26);1-6H2;2-3H;/
    q;;-1;/p+1/t15-;;;/m0.../
    s1;
    ACWICPOFNPWEAE-CFZZCFLMSA-O    		 CC(C)Oc1ccc2N3C4=C5N(C=C(F)C=C5[CH]6C(=O
    )NC(=O)C6=C4c2c1)[Ru]378(NC#[SH])[SH]9CC
    [SH]7CC[SH]8CC9; CC(C)Oc1ccc2c(c1)C3=C4C
    (C5=CC(=CN6C5=C3N2[Ru]678(S9CCS7CCS8CC9)
    NC#S)F)C(=O)NC4=O; CC(C)Oc1ccc2N3C4=C5N(
    C=C(F)C=C5[C@@H]6C(=O)NC(=O)C6=C4c2c1)[R
    u]378(NC#[SH])[SH]9CC[SH]7CC[SH]8CC9    		 RUTHENIUM OCTASPORINE 4
    32288 OSW 2 C10 H16 B18 Co N2 O4 S2 InChI=1S/2C5H8B9NO2S.Co/c
    2*15-18(16,17)3-1-2-5-4-6
    -8-7(5)11(5)9(4,5)10(4,6)
    12(6,8)13(7,8,11)14(9,10,
    11)12;/h2*1-3H2,(H2,15,16
    ,17);/q;;+6;
    DXWIVFNCHIEEQK-UHFFFAOYSA-N    		 B1234B567B189B212B33%10B454B656B787B911[
    C+2]232([C+]4%105[Co]76121234B567B118B55
    9B66%10B272B667B%1055B911B565[C+]318[C+2
    ]4752CCCS(=O)(=O)N)CCCS(=O)(=O)N; N[S](=
    O)(=O)CCC[C++]123[C+]45[B]678[B]149[B]6%
    10%11[B]7%12%13[B]58%14[B]%12%15%16[B]%1
    0%13%17[B]29%11[B]3%15%17[Co]%14%16%18%1
    9[B]%20%21%22[C+]%23%24[B]%20%25%26[B]%2
    3%27%28[B]%25%29%30[B]%21%26%31[B]%29%32
    %33[B]%27%30%34[B]%18%32([B]%19%22%31%33
    )[C++]%24%28%34CCC[S](N)(=O)=O    		 Metala-Carborane di-propyl-sulfonamide
    32289 OSX 1 C24 H20 Cl F N8 O S InChI=1S/C24H20ClFN8OS/c1
    -14-24(36-13-27-14)17-9-2
    9-32(10-17)21(8-15-2-3-15
    )19-6-4-16(11-34(19)35)22
    -20(33-12-28-30-31-33)7-5
    -18(25)23(22)26/h4-7,9-13
    ,15,21H,2-3,8H2,1H3/t21-/
    m1/s1;
    LVFYRSDTZFJORD-OAQYLSRUSA-N    		 Cc1c(scn1)c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4
    [O-])c5c(ccc(c5F)Cl)n6cnnn6; Cc1ncsc1c2c
    nn(c2)[C@H](CC3CC3)c4ccc(c[n+]4[O-])c5c(
    F)c(Cl)ccc5n6cnnn6; Cc1ncsc1c1cnn(c1)C(C
    C1CC1)c1ccc(c[n+]1[O-])c1c(F)c(Cl)ccc1n1
    cnnn1; Cc1ncsc1c2cnn(c2)[CH](CC3CC3)c4cc
    c(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6; Cc1
    c(scn1)c2cnn(c2)[C@H](CC3CC3)c4ccc(c[n+]
    4[O-])c5c(ccc(c5F)Cl)n6cnnn6    		 5-[1-[(1~{R})-1-[5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-1-oxidanyl-pyridin-2-yl]-2-cyclopropyl-ethyl]pyrazol-4-yl]-4-methyl-1,3-thiazole
    32290 OSY
    CHEMBL4596884    		 4 C17 H17 N3 InChI=1S/C17H17N3/c1-11-8
    -17(19)20-16-9-14(6-7-15(
    11)16)13-4-2-12(10-18)3-5
    -13/h2-9H,10,18H2,1H3,(H2
    ,19,20);
    ODOXISOTMVXLOX-UHFFFAOYSA-N    		 Cc1cc(nc2c1ccc(c2)c3ccc(cc3)CN)N; NCc1cc
    c(cc1)c2ccc3c(C)cc(N)nc3c2; Cc1cc(N)nc2c
    c(ccc12)c3ccc(CN)cc3    		 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine
    32291 OSZ
    CHEMBL4792880    		 1 C32 H41 N7 O3 InChI=1S/C32H41N7O3/c33-2
    9-27(22-36-39(29)26-9-5-2
    -6-10-26)31(41)35-21-24-1
    1-14-25(15-12-24)30(40)37
    -28(16-13-23-7-3-1-4-8-23
    )32(42)38-19-17-34-18-20-
    38/h2,5-6,9-12,14-15,22-2
    3,28,34H,1,3-4,7-8,13,16-
    21,33H2,(H,35,41)(H,37,40
    )/t28-/m0/s1;
    ZUFIQRHWQJDYDJ-NDEPHWFRSA-N    		 Nc1n(ncc1C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC
    3CCCCC3)C(=O)N4CCNCC4)c5ccccc5; c1ccc(cc
    1)n2c(c(cn2)C(=O)NCc3ccc(cc3)C(=O)NC(CCC
    4CCCCC4)C(=O)N5CCNCC5)N; Nc1n(ncc1C(=O)N
    Cc2ccc(cc2)C(=O)N[C@@H](CCC3CCCCC3)C(=O)
    N4CCNCC4)c5ccccc5; c1ccc(cc1)n2c(c(cn2)C
    (=O)NCc3ccc(cc3)C(=O)N[C@@H](CCC4CCCCC4)
    C(=O)N5CCNCC5)N    		 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
    32292 OT0 1 C22 H31 Cl2 N3 O3 InChI=1S/C22H31Cl2N3O3/c1
    -15-11-22(12-16(2)30-15,2
    6-19-5-3-18(24)4-6-19)21(
    29)27-9-7-17(8-10-27)14-2
    5-20(28)13-23/h3-6,15-17,
    26H,7-14H2,1-2H3,(H,25,28
    )/t15-,16+,22+;
    VYYOGEHPAMZPSQ-BRLLKYFNSA-N    		 CC1CC(CC(O1)C)(C(=O)N2CCC(CC2)CNC(=O)CCl
    )Nc3ccc(cc3)Cl; C[C@@H]1C[C@@](C[C@H](C)
    O1)(Nc2ccc(Cl)cc2)C(=O)N3CC[C@@H](CC3)CN
    C(=O)CCl; C[C@@H]1CC(C[C@@H](O1)C)(C(=O)
    N2CCC(CC2)CNC(=O)CCl)Nc3ccc(cc3)Cl; C[CH
    ]1C[C](C[CH](C)O1)(Nc2ccc(Cl)cc2)C(=O)N3
    CC[CH](CC3)CNC(=O)CCl    		 2-chloranyl-~{N}-[[1-[(2~{S},6~{R})-4-[(4-chlorophenyl)amino]-2,6-dimethyl-oxan-4-yl]carbonylpiperidin-4-yl]methyl]ethanamide;
    RU78299
    32293 OT1 1 C19 H25 Cl Ir N2 InChI=1S/C10H15.C9H10N2.C
    lH.Ir/c1-6-7(2)9(4)10(5)8
    (6)3;1-10-7-11(2)9-6-4-3-
    5-8(9)10;;/h1-5H3;3-6H,1-
    2H3;1H;/q;;;+1/p-1;
    FEMPBTXZISTUOL-UHFFFAOYSA-M    		 CC1C(C)C(C)C(C)C1C.Cn2c([Ir]Cl)[n](C)c3c
    cccc23; CC12C3([Ir]145(C2(C4(C53C)C)C)(C
    6=[N](c7ccccc7N6C)C)Cl)C    		 2-(1-chloranyl-2,3,4,5,6-pentamethyl-1$l^{7}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexan-1-yl)-1,3-dimethyl-benzimidazole
    32294 OT2 3 C20 H16 N2 O10 S3 InChI=1S/C20H16N2O10S3/c2
    3-16-7-5-11-9-12(33(24,25
    )26)10-18(35(30,31)32)19(
    11)20(16)22-21-15-6-8-17(
    34(27,28)29)14-4-2-1-3-13
    (14)15/h1-10,20-22H,(H,24
    ,25,26)(H,27,28,29)(H,30,
    31,32)/t20-/m0/s1;
    DOHFSJYQGWYGDQ-FQEVSTJZSA-N    		 O[S](=O)(=O)c1cc2C=CC(=O)[CH](NNc3ccc(c4
    ccccc34)[S](O)(=O)=O)c2c(c1)[S](O)(=O)=O
    ; c1ccc2c(c1)c(ccc2S(=O)(=O)O)NNC3c4c(cc
    (cc4S(=O)(=O)O)S(=O)(=O)O)C=CC3=O; O[S](
    =O)(=O)c1cc2C=CC(=O)[C@H](NNc3ccc(c4cccc
    c34)[S](O)(=O)=O)c2c(c1)[S](O)(=O)=O    		 7-oxidanylidene-8-[2-(4-sulfonaphthalen-1-yl)hydrazinyl]-8~{H}-naphthalene-1,3-disulfonic acid
    32295 OT4
    CHEMBL4595918    		 4 C18 H19 N3 InChI=1S/C18H19N3/c1-12-9
    -18(20)21-17-11-15(5-6-16
    (12)17)14-4-2-3-13(10-14)
    7-8-19/h2-6,9-11H,7-8,19H
    2,1H3,(H2,20,21);
    KEWLPOCHRHJHLA-UHFFFAOYSA-N    		 NCCc1cccc(c1)c2cc3c(cc2)c(cc(N)n3)C; Cc1
    cc(nc2c1ccc(c2)c3cccc(c3)CCN)N; Cc1cc(N)
    nc2cc(ccc12)c3cccc(CCN)c3    		 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine
    32296 OT5
    CHEMBL3688339    		 1 C25 H28 Cl2 N4 O2 InChI=1S/C25H28Cl2N4O2/c1
    -14(32)18-12-28-22-9-8-21
    (16-10-19(26)25(33)20(27)
    11-16)30-24(22)23(18)29-1
    7-6-4-15(5-7-17)13-31(2)3
    /h8-12,15,17,33H,4-7,13H2
    ,1-3H3,(H,28,29)/t15-,17-;
    DKZYXHCYPUVGAF-JCNLHEQBSA-N    		 CC(=O)c1cnc2ccc(nc2c1NC3CCC(CC3)CN(C)C)c
    4cc(c(c(c4)Cl)O)Cl; CN(C)C[CH]1CC[CH](CC
    1)Nc2c(cnc3ccc(nc23)c4cc(Cl)c(O)c(Cl)c4)
    C(C)=O; CN(C)C[C@@H]1CC[C@H](CC1)Nc2c(cn
    c3ccc(nc23)c4cc(Cl)c(O)c(Cl)c4)C(C)=O; C
    lc4cc(c1nc2c(c(cnc2cc1)C(=O)C)NC3CCC(CN(
    C)C)CC3)cc(Cl)c4O    		 1-[6-(3,5-dichloro-4-hydroxyphenyl)-4-({trans-4-[(dimethylamino)methyl]cyclohexyl}amino)-1,5-naphthyridin-3-yl]ethanone;
    OTSSP167
    32297 OT6 1 C19 H21 Cl N4 O InChI=1S/C19H21ClN4O/c1-1
    3-4-5-22-10-17(13)24-18(2
    5)8-14-6-15(20)9-16(7-14)
    23-12-19(2,3)11-21/h4-7,9
    -10,23H,8,12H2,1-3H3,(H,2
    4,25);
    UELOTNVORDVOMK-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NCC(C)(C)C
    #N; O=C(Nc1cnccc1C)Cc1cc(NCC(C)(C)C#N)cc
    (Cl)c1; Cc1ccncc1NC(=O)Cc2cc(Cl)cc(NCC(C
    )(C)C#N)c2    		 2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-methylpyridin-3-yl)acetamide
    32298 OT7 1 C24 H21 Cl F N9 O InChI=1S/C24H21ClFN9O/c1-
    32-19(8-9-28-32)17-11-29-
    33(12-17)22(10-15-2-3-15)
    20-6-4-16(13-35(20)36)23-
    21(34-14-27-30-31-34)7-5-
    18(25)24(23)26/h4-9,11-15
    ,22H,2-3,10H2,1H3/t22-/m1
    /s1;
    DMOBSIYHBZREAR-JOCHJYFZSA-N    		 Cn1nccc1c2cnn(c2)[CH](CC3CC3)c4ccc(c[n+]
    4[O-])c5c(F)c(Cl)ccc5n6cnnn6; Fc1c(Cl)cc
    c(n2cnnn2)c1c1c[n+]([O-])c(cc1)C(CC1CC1)
    n1cc(cn1)c1ccnn1C; Cn1c(ccn1)c2cnn(c2)[C
    @H](CC3CC3)c4ccc(c[n+]4[O-])c5c(ccc(c5F)
    Cl)n6cnnn6; Cn1nccc1c2cnn(c2)[C@H](CC3CC
    3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn
    6; Cn1c(ccn1)c2cnn(c2)C(CC3CC3)c4ccc(c[n
    +]4[O-])c5c(ccc(c5F)Cl)n6cnnn6    		 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(2-methylpyrazol-3-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine
    32299 OT8
    CHEMBL5090908    		 2 C21 H16 F3 N5 O InChI=1S/C21H16F3N5O/c22-
    21(23,24)20-12-15(10-11-2
    5-20)26-13-16-14-29(28-27
    -16)17-6-8-19(9-7-17)30-1
    8-4-2-1-3-5-18/h1-12,14H,
    13H2,(H,25,26);
    QWSDRNYEGNKRGV-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccc(cc2)n3cc(nn3)CNc4ccnc(c
    4)C(F)(F)F; FC(F)(F)c1cc(NCc2cn(nn2)c3cc
    c(Oc4ccccc4)cc3)ccn1    		 ~{N}-[[1-(4-phenoxyphenyl)-1,2,3-triazol-4-yl]methyl]-2-(trifluoromethyl)pyridin-4-amine
    32300 OT9 1 C22 H24 O4 InChI=1S/C22H24O4/c1-25-1
    8-11-5-9-17(15-18)10-6-12
    -19-21(23)20(26-22(19)24)
    14-13-16-7-3-2-4-8-16/h2-
    5,7-9,11,15,20,23H,6,10,1
    2-14H2,1H3/t20-/m1/s1;
    WQRHSASTQIHYTQ-HXUWFJFHSA-N    		 COc1cccc(CCCC2=C(O)[C@@H](CCc3ccccc3)OC2
    =O)c1; COc1cccc(c1)CCCC=1C(=O)OC(CCc2ccc
    cc2)C=1O; COc1cccc(c1)CCCC2=C([C@H](OC2=
    O)CCc3ccccc3)O; COc1cccc(CCCC2=C(O)[CH](
    CCc3ccccc3)OC2=O)c1; COc1cccc(c1)CCCC2=C
    (C(OC2=O)CCc3ccccc3)O    		 (5R)-4-hydroxy-3-[3-(3-methoxyphenyl)propyl]-5-(2-phenylethyl)furan-2(5H)-one
    32301 OTA
    CHEMBL139393
    DB03670
    ZINC000001551920    		 16 C10 H10 N2 O5 S InChI=1S/C10H10N2O5S/c13-
    7(10(16)17)12-8-6(9(14)15
    )4-1-2-11-3-5(4)18-8/h11H
    ,1-3H2,(H,12,13)(H,14,15)
    (H,16,17);
    ZIBMATWHOAGNTR-UHFFFAOYSA-N    		 O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2; C1CNC
    c2c1c(c(s2)NC(=O)C(=O)O)C(=O)O; OC(=O)C(
    =O)Nc1sc2CNCCc2c1C(O)=O    		 2-(OXALYL-AMINO)-4,5,6,7-TETRAHYDRO-THIENO[2,3-C]PYRIDINE-3-CARBOXYLIC ACID
    32302 OTB 0 C5 H10 O3 InChI=1/C5H10O3/c1-5(2,3)
    8-4(6)7/h1-3H3,(H,6,7)/f/
    h6H;
    XKXIQBVKMABYQJ-BRMMOCHJCR    		 CC(C)(C)OC(=O)O; O=C(O)OC(C)(C)C; CC(C)(
    C)OC(O)=O    		 TERTIARY-BUTOXYFORMIC ACID
    32303 OTC
    CHEMBL1517
    DB00595
    ZINC000095626782    		 1 C22 H24 N2 O9 InChI=1S/C22H24N2O9/c1-21
    (32)7-5-4-6-8(25)9(7)15(2
    6)10-12(21)17(28)13-14(24
    (2)3)16(27)11(20(23)31)19
    (30)22(13,33)18(10)29/h4-
    6,12-14,17,25,27-29,32-33
    H,1-3H3,(H2,23,31)/t12-,1
    3-,14+,17+,21-,22+/m1/s1;
    IWVCMVBTMGNXQD-PXOLEDIWSA-N    		 CC1(c2cccc(c2C(=O)C3=C(C4(C(C(C31)O)C(C(
    =C(C4=O)C(=O)N)O)N(C)C)O)O)O)O; C[C@]1(c
    2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@
    @H]31)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)
    O)O)O)O; CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H
    ]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(N)=O)C(=O
    )c4c(O)cccc4[C@@]3(C)O; O=C3C2=C(O)C1(O)
    C(=O)C(=C(O)C(N(C)C)C1C(O)C2C(O)(c4cccc(
    O)c34)C)C(=O)N; CN(C)[CH]1[CH]2[CH](O)[C
    H]3C(=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O)C(=O
    )c4c(O)cccc4[C]3(C)O    		 OXYTETRACYCLINE
    32304 OTD 2 C6 H6 N2 O5 InChI=1S/C6H6N2O5/c9-4(10
    )2-1-3(5(11)12)8-6(13)7-2
    /h1-2H,(H,9,10)(H,11,12)(
    H2,7,8,13)/t2-/m1/s1;
    WVCOMWPLPGATRR-UWTATZPHSA-N    		 C1=C(NC(=O)NC1C(=O)O)C(=O)O; OC(=O)[CH]1
    NC(=O)NC(=C1)C(O)=O; OC(=O)[C@@H]1NC(=O)
    NC(=C1)C(O)=O; C1=C(NC(=O)N[C@H]1C(=O)O)
    C(=O)O; O=C(O)C1C=C(C(=O)O)NC(=O)N1    		 2-OXO-1,2,3,6-TETRAHYDROPYRIMIDINE-4,6-DICARBOXYLIC ACID;
    HDDP
    32305 OTE 0 C16 H34 O5 InChI=1/C16H34O5/c1-2-3-4
    -5-6-7-9-18-11-13-20-15-1
    6-21-14-12-19-10-8-17/h17
    H,2-16H2,1H3;
    FEOZZFHAVXYAMB-UHFFFAOYAF    		 O(CCCCCCCC)CCOCCOCCOCCO; CCCCCCCCOCCOCCO
    CCOCCO    		 2-{2-[2-(2-OCTYLOXY-ETHOXY)-ETHOXYL]-ETHOXY}ETHANOL
    32306 OTF
    CHEMBL3793392
    ZINC000211282525    		 2 C20 H15 F2 N3 O2 InChI=1S/C20H15F2N3O2/c21
    -15-10-23-18(24-11-15)14-
    8-6-13(7-9-14)17-16(12-4-
    2-1-3-5-12)20(17,22)19(26
    )25-27/h1-11,16-17,27H,(H
    ,25,26)/t16-,17-,20+/m1/s
    1;
    MREATSZIGJDNKB-HLIPFELVSA-N    		 c1ccc(cc1)C2C(C2(C(=O)NO)F)c3ccc(cc3)c4n
    cc(cn4)F; ONC(=O)[C]1(F)[CH]([CH]1c2ccc(
    cc2)c3ncc(F)cn3)c4ccccc4; c1ccc(cc1)[C@@
    H]2[C@H]([C@@]2(C(=O)NO)F)c3ccc(cc3)c4nc
    c(cn4)F; ONC(=O)[C@]1(F)[C@@H]([C@H]1c2c
    cc(cc2)c3ncc(F)cn3)c4ccccc4    		 (1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide
    32307 OTG
    ZINC000006523237    		 1 C14 H19 N O6 InChI=1S/C14H19NO6/c1-7-4
    -2-3-5-8(7)13(19)15-10-12
    (18)11(17)9(6-16)21-14(10
    )20/h2-5,9-12,14,16-18,20
    H,6H2,1H3,(H,15,19)/t9-,1
    0-,11-,12-,14+/m1/s1;
    ZWRASUMSHKKCJN-SKENRDBWSA-N    		 Cc1ccccc1C(=O)NC2C(C(C(OC2O)CO)O)O; Cc1c
    cccc1C(=O)N[CH]2[CH](O)O[CH](CO)[CH](O)[
    CH]2O; O=C(NC1C(O)C(O)C(OC1O)CO)c2ccccc2
    C; Cc1ccccc1C(=O)N[C@H]2[C@@H](O)O[C@H](
    CO)[C@@H](O)[C@@H]2O; Cc1ccccc1C(=O)N[C@
    @H]2[C@H]([C@@H]([C@H](O[C@@H]2O)CO)O)O    		 2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucopyranose;
    ORTHO-TOLUOYLGLUCOSAMINE;
    N-[(2-methylphenyl)carbonyl]-alpha-D-glucosamine;
    2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-alpha-D-glucose;
    2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-D-glucose;
    2-deoxy-2-{[(2-methylphenyl)carbonyl]amino}-glucose
    32308 OTH 0 C6 H13 N O3 InChI=1S/C6H13NO3/c1-4(10
    -3)5(7-2)6(8)9/h4-5,7H,1-
    3H3,(H,8,9)/t4-,5+/m1/s1;
    ZLRWZUVKLXZLRT-UHNVWZDZSA-N    		 CC(C(C(=O)O)NC)OC; CN[C@@H]([C@@H](C)OC)
    C(O)=O; C[C@H]([C@@H](C(=O)O)NC)OC; O=C(
    O)C(NC)C(OC)C; CN[CH]([CH](C)OC)C(O)=O    		 N,O-dimethyl-L-threonine
    32309 OTI 9 C29 H35 F N6 O5 S InChI=1S/C29H35FN6O5S/c1-
    5-41-26(37)22-21(15-34-10
    -11-36-18(13-34)14-35(28(
    36)40)16-29(3,4)27(38)39)
    32-24(25-31-9-12-42-25)33
    -23(22)19-7-6-8-20(30)17(
    19)2/h6-9,12,18,23H,5,10-
    11,13-16H2,1-4H3,(H,32,33
    )(H,38,39)/t18-,23?/m0/s1;
    YLJBFYZGSKMBEZ-XNUZUHMRSA-N    		 CCOC(=O)C1=C(NC(=NC1c2cccc(c2C)F)c3nccs3
    )CN4CCN5[C@@H](C4)CN(C5=O)CC(C)(C)C(=O)O
    ; CCOC(=O)C1=C(CN2CCN3[C@@H](C2)CN(CC(C)
    (C)C(O)=O)C3=O)NC(=N[C@H]1c4cccc(F)c4C)c
    5sccn5; CCOC(=O)C1=C(CN2CCN3[CH](C2)CN(C
    C(C)(C)C(O)=O)C3=O)NC(=N[CH]1c4cccc(F)c4
    C)c5sccn5; CCOC(=O)C1=C(NC(=NC1c2cccc(c2
    C)F)c3nccs3)CN4CCN5C(C4)CN(C5=O)CC(C)(C)
    C(=O)O    		 3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid;
    Linvencorvir
    32310 OTJ
    ZINC000263620622    		 1 C22 H22 Cl2 N8 O3 InChI=1S/C22H22Cl2N8O3/c1
    -35-22(34)27-16-6-2-13(3-
    7-16)20-21(24)29-18(28-20
    )11-25-19(33)9-4-14-10-15
    (23)5-8-17(14)32-12-26-30
    -31-32/h2-3,5-8,10,12,30-
    31H,4,9,11H2,1H3,(H,25,33
    )(H,27,34)(H,28,29);
    JTVUNKGTKMZKDP-UHFFFAOYSA-N    		 COC(=O)Nc1ccc(cc1)c2c([nH]c(n2)CNC(=O)CC
    c3cc(ccc3N4C=NNN4)Cl)Cl; COC(=O)Nc1ccc(c
    c1)c2nc(CNC(=O)CCc3cc(Cl)ccc3N4NNN=C4)[n
    H]c2Cl; O=C(OC)Nc1ccc(cc1)c2nc(nc2Cl)CNC
    (=O)CCc3cc(Cl)ccc3N4C=NNN4    		 Methyl N-[4-[5-chloro-2-[[3-[5-chloro-2-(tetrazol-1-yl)phenyl]propanoylamino]methyl]-1H-imidazol-4-yl]phenyl]carbamate
    32311 OTK
    CHEMBL372254
    ZINC000028526508    		 1 C26 H38 O10 InChI=1S/C26H38O10/c1-8-1
    0-19(28)34-18-12-24(6,36-
    15(5)27)16-11-17(33-22(29
    )13(3)9-2)14(4)20(16)21-2
    6(18,32)25(7,31)23(30)35-
    21/h9,14,16-18,20-21,31-3
    2H,8,10-12H2,1-7H3/b13-9-
    /t14-,16-,17+,18-,20+,21-
    ,24-,25+,26+/m0/s1;
    INROUDCDOCKFKL-SBRSFKGSSA-N    		 CCCC(=O)OC1CC(C2CC(C(C2C3C1(C(C(=O)O3)(C
    )O)O)C)OC(=O)C(=CC)C)(C)OC(=O)C; O=C3OC2
    C1C(C)C(OC(=O)\C(=C/C)C)CC1C(OC(=O)C)(CC
    (OC(=O)CCC)C2(O)C3(O)C)C; CCCC(=O)O[C@H]
    1C[C@]([C@H]2C[C@H]([C@@H]([C@H]2[C@H]3[
    C@]1([C@](C(=O)O3)(C)O)O)C)OC(=O)/C(=C\C
    )/C)(C)OC(=O)C; CCCC(=O)O[CH]1C[C](C)(OC
    (C)=O)[CH]2C[CH](OC(=O)C(C)=CC)[CH](C)[C
    H]2[CH]3OC(=O)[C](C)(O)[C]13O; CCCC(=O)O
    [C@H]1C[C@](C)(OC(C)=O)[C@H]2C[C@@H](OC(
    =O)\C(C)=C/C)[C@H](C)[C@H]2[C@@H]3OC(=O)
    [C@@](C)(O)[C@@]13O    		 (3S,3aR,4S,6S,6aS,8R,9R,9aR,9bS)-6-(acetyloxy)-4-(butanoyloxy)-3,3a-dihydroxy-3,6,9-trimethyl-2-oxododecahydroazuleno[4,5-b]furan-8-yl (2Z)-2-methylbut-2-enoate
    32312 OTL
    CHEMBL5208095    		 1 C24 H21 Cl F N9 O InChI=1S/C24H21ClFN9O/c1-
    32-13-27-10-22(32)17-9-29
    -33(11-17)21(8-15-2-3-15)
    19-6-4-16(12-35(19)36)23-
    20(34-14-28-30-31-34)7-5-
    18(25)24(23)26/h4-7,9-15,
    21H,2-3,8H2,1H3/t21-/m1/s
    1;
    IQYPMNRUPQZQQR-OAQYLSRUSA-N    		 Cn1cncc1c2cnn(c2)C(CC3CC3)c4ccc(c[n+]4[O
    -])c5c(ccc(c5F)Cl)n6cnnn6; Cn1cncc1c2cnn
    (c2)[C@H](CC3CC3)c4ccc(c[n+]4[O-])c5c(cc
    c(c5F)Cl)n6cnnn6; Cn1cncc1c2cnn(c2)[C@H]
    (CC3CC3)c4ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5
    n6cnnn6; Cn1cncc1c2cnn(c2)[CH](CC3CC3)c4
    ccc(c[n+]4[O-])c5c(F)c(Cl)ccc5n6cnnn6; F
    c1c(Cl)ccc(n2cnnn2)c1c1c[n+]([O-])c(cc1)
    C(CC1CC1)n1cc(cn1)c1cncn1C    		 5-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]-2-[(1~{R})-2-cyclopropyl-1-[4-(3-methylimidazol-4-yl)pyrazol-1-yl]ethyl]-1-oxidanyl-pyridine
    32313 OTM
    CHEMBL3753020
    ZINC000043201615    		 1 C26 H21 Cl N10 O2 InChI=1S/C26H21ClN10O2/c2
    7-20-9-12-23(37-16-28-33-
    36-37)19(15-20)8-13-24(38
    )30-22(14-17-4-2-1-3-5-17
    )26(39)29-21-10-6-18(7-11
    -21)25-31-34-35-32-25/h1-
    13,15-16,22H,14H2,(H,29,3
    9)(H,30,38)(H,31,32,34,35
    )/b13-8+/t22-/m0/s1;
    YGQQLNQKNAXOKN-SYZXBLONSA-N    		 c1ccc(cc1)CC(C(=O)Nc2ccc(cc2)c3[nH]nnn3)
    NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl; Clc1ccc(n2
    cnnn2)c(/C=C/C(=O)N[C@@H](Cc3ccccc3)C(=O
    )Nc4ccc(cc4)c5[nH]nnn5)c1; Clc1ccc(n2cnn
    n2)c(C=CC(=O)N[CH](Cc3ccccc3)C(=O)Nc4ccc
    (cc4)c5[nH]nnn5)c1; c1ccc(cc1)C[C@@H](C(
    =O)Nc2ccc(cc2)c3[nH]nnn3)NC(=O)/C=C/c4cc
    (ccc4n5cnnn5)Cl; Clc2cc(c(n1nnnc1)cc2)\C
    =C\C(=O)NC(C(=O)Nc4ccc(c3nnnn3)cc4)Cc5cc
    ccc5    		 (2S)-2-[[(E)-3-[5-chloranyl-2-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-3-phenyl-N-[4-(1H-1,2,3,4-tetrazol-5-yl)phenyl]propanamide
    32314 OTN
    ZINC000004261921    		 2 C12 H15 N O7 S InChI=1S/C12H15NO7S/c14-5
    -7-9(15)10(16)11(17)12(20
    -7)21-8-4-2-1-3-6(8)13(18
    )19/h1-4,7,9-12,14-17H,5H
    2/t7-,9+,10+,11-,12+/m1/s
    1;
    SZAOZNVCHHBUDZ-RUXWNWLUSA-N    		 c1ccc(c(c1)[N+](=O)[O-])S[C@H]2[C@@H]([C
    @H]([C@H]([C@H](O2)CO)O)O)O; OC[C@H]1O[C
    @@H](Sc2ccccc2[N+]([O-])=O)[C@H](O)[C@@H
    ](O)[C@H]1O; OC[CH]1O[CH](Sc2ccccc2[N+](
    [O-])=O)[CH](O)[CH](O)[CH]1O; [O-][N+](=
    O)c2c(SC1OC(C(O)C(O)C1O)CO)cccc2; c1ccc(
    c(c1)[N+](=O)[O-])SC2C(C(C(C(O2)CO)O)O)O    		 2-nitrophenyl 1-thio-beta-D-galactopyranoside;
    (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(2-nitrophenyl)sulfanyl-oxane-3,4,5-triol;
    2-nitrophenyl 1-thio-beta-D-galactoside;
    2-nitrophenyl 1-thio-D-galactoside;
    2-nitrophenyl 1-thio-galactoside
    32315 OTO
    CHEMBL4753315    		 0 C11 H8 N4 O InChI=1S/C11H8N4O/c12-5-9
    -8-6-13-4-3-10(8)15(14-9)
    11(16)7-1-2-7/h3-4,6-7H,1
    -2H2;
    DHYXAKZNFKQCOW-UHFFFAOYSA-N    		 c1cncc2c1n(nc2C#N)C(=O)C3CC3; O=C(C1CC1)
    n2nc(C#N)c3cnccc23    		 1-cyclopropylcarbonylpyrazolo[4,3-c]pyridine-3-carbonitrile
    32316 OTP
    ZINC000008219112    		 18 C40 H68 O7 P2 InChI=1S/C40H68O7P2/c1-33
    (2)17-10-18-34(3)19-11-20
    -35(4)21-12-22-36(5)23-13
    -24-37(6)25-14-26-38(7)27
    -15-28-39(8)29-16-30-40(9
    )31-32-46-49(44,45)47-48(
    41,42)43/h17,19,21,23,25,
    27,29,31H,10-16,18,20,22,
    24,26,28,30,32H2,1-9H3,(H
    ,44,45)(H2,41,42,43)/b34-
    19+,35-21+,36-23+,37-25+,
    38-27+,39-29+,40-31+;
    IKKLDISSULFFQO-DJMILUHSSA-N    		 CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=
    CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)
    C)C; CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(
    C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO[P](O)(=O)
    O[P](O)(O)=O; CC(=CCC/C(=C/CC/C(=C/CC/C(
    =C/CC/C(=C/CC/C(=C/CC/C(=C/CC/C(=C/CO[P@
    ](=O)(O)OP(=O)(O)O)/C)/C)/C)/C)/C)/C)/C)
    C; CC(C)=CCCC(/C)=C/CCC(/C)=C/CCC(/C)=C/
    CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/CCC(/C)=C/
    CO[P@@](O)(=O)O[P](O)(O)=O; O=P(O)(O)OP(
    =O)(O)OC/C=C(/CC\C=C(/C)CC\C=C(/C)CC\C=C
    (/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C
    (/C)C)C    		 (2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-2,6,10,14,18,22,26,30-OCTAENYL TRIHYDROGEN DIPHOSPHATE;
    OCTAPRENYL PYROPHOSPHATE
    32317 OTQ 2 C14 H13 N3 O4 S InChI=1S/C14H14N3O4S/c18-
    13-11-7-3-1-2-4-9(7)22-14
    (11)16-12(15-13)8-5-6-10(
    21-8)17(19)20/h5-6,12,16,
    19H,1-4H2,(H,15,18)/t12-/
    m0/s1;
    MOKSPNCNIWVHBB-LBPRGKRZSA-N    		 c1cc(oc1[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2
    )[N+](=O)[O-]; [O-][N+](=O)c1oc(cc1)[C@H
    ]2NC(=O)c3c(N2)sc4CCCCc34; c1cc(oc1C2Nc3
    c(c4c(s3)CCCC4)C(=O)N2)[N+](=O)[O-]; [O-
    ][N+](=O)c1oc(cc1)[CH]2NC(=O)c3c(N2)sc4C
    CCCc34    		 (2~{S})-2-(5-nitrofuran-2-yl)-2,3,5,6,7,8-hexahydro-1~{H}-[1]benzothiolo[2,3-d]pyrimidin-4-one
    32318 OTR
    CHEMBL1160703
    ZINC000000388198    		 12 C8 H11 N O2 InChI=1S/C8H11NO2/c9-5-8(
    11)6-1-3-7(10)4-2-6/h1-4,
    8,10-11H,5,9H2/t8-/m0/s1;
    QHGUCRYDKWKLMG-QMMMGPOBSA-N    		 NC[CH](O)c1ccc(O)cc1; c1cc(ccc1C(CN)O)O;
    NC[C@H](O)c1ccc(O)cc1; OC(c1ccc(O)cc1)C
    N; c1cc(ccc1[C@H](CN)O)O    		 4-(2R-AMINO-1-HYDROXYETHYL)PHENOL;
    R-OCTOPAMINE
    32319 OTS
    CHEMBL1235033
    ZINC000000000558    		 11 C8 H11 N O2 InChI=1S/C8H11NO2/c9-5-8(
    11)6-1-3-7(10)4-2-6/h1-4,
    8,10-11H,5,9H2/t8-/m1/s1;
    QHGUCRYDKWKLMG-MRVPVSSYSA-N    		 NC[CH](O)c1ccc(O)cc1; c1cc(ccc1C(CN)O)O;
    NC[C@@H](O)c1ccc(O)cc1; c1cc(ccc1[C@@H]
    (CN)O)O; OC(c1ccc(O)cc1)CN    		 4-(2S-AMINO-1-HYDROXYETHYL)PHENOL;
    S-OCTOPAMINE
    32320 OTT
    CHEMBL1208330
    ZINC000001733900    		 0 C8 H10 O2 InChI=1S/C8H10O2/c1-2-3-4
    -5-6-7-8(9)10/h2-7H,1H3,(
    H,9,10)/b3-2+,5-4+,7-6+;
    IAAPVNQZSBLWKH-ICDJNDDTSA-N    		 CC=CC=CC=CC(O)=O; O=C(O)\C=C\C=C\C=C\C;
    C/C=C/C=C/C=C/C(O)=O; C/C=C/C=C/C=C/C(=O
    )O; CC=CC=CC=CC(=O)O    		 (2E,4E,6E)-octa-2,4,6-trienoic acid;
    2,4,6-OCTATRIENOIC ACID
    32321 OTU
    ZINC000033358936    		 1 C12 H22 O11 InChI=1S/C12H22O11/c13-1-
    4(16)7(18)11(5(17)2-14)23
    -12-10(21)9(20)8(19)6(3-1
    5)22-12/h4,6-16,18-21H,1-
    3H2/t4-,6-,7-,8-,9+,10-,1
    1-,12-/m1/s1;
    RULSWEULPANCDV-PIXUTMIVSA-N    		 OC[CH](O)[CH](O)[CH](O[CH]1O[CH](CO)[CH]
    (O)[CH](O)[CH]1O)C(=O)CO; OC[C@@H](O)[C@
    @H](O)[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C
    @H](O)[C@H]1O)C(=O)CO; C(C1C(C(C(C(O1)OC
    (C(C(CO)O)O)C(=O)CO)O)O)O)O; C([C@@H]1[C
    @H]([C@@H]([C@H]([C@H](O1)O[C@@H]([C@@H]
    ([C@@H](CO)O)O)C(=O)CO)O)O)O)O; O=C(C(OC
    1OC(C(O)C(O)C1O)CO)C(O)C(O)CO)CO    		 3-O-alpha-D-glucopyranosyl-D-fructose;
    3-O-alpha-D-glucosyl-D-fructose;
    3-O-D-glucosyl-D-fructose;
    3-O-glucosyl-D-fructose
    32322 OTV 1 C18 H17 Cl F3 N3 O InChI=1S/C18H17ClF3N3O/c1
    -10-2-3-23-9-16(10)25-17(
    26)6-11-4-12(19)7-13(5-11
    )24-15-8-14(15)18(20,21)2
    2/h2-5,7,9,14-15,24H,6,8H
    2,1H3,(H,25,26)/t14-,15+/
    m1/s1;
    ROXLXWPALVCDCD-CABCVRRESA-N    		 Cc1ccncc1NC(=O)Cc2cc(Cl)cc(N[C@H]3C[C@H]
    3C(F)(F)F)c2; O=C(Nc1cnccc1C)Cc1cc(NC2CC
    2C(F)(F)F)cc(Cl)c1; Cc1ccncc1NC(=O)Cc2cc
    (cc(c2)Cl)N[C@H]3C[C@H]3C(F)(F)F; Cc1ccn
    cc1NC(=O)Cc2cc(Cl)cc(N[CH]3C[CH]3C(F)(F)
    F)c2; Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)NC3C
    C3C(F)(F)F    		 2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide
    32323 OTW 1 C10 H11 N3 InChI=1S/C10H11N3/c1-6-4-
    10(12)13-9-3-2-7(11)5-8(6
    )9/h2-5H,11H2,1H3,(H2,12,
    13);
    RTLBVOMPQYBAQP-UHFFFAOYSA-N    		 n1c(cc(c2cc(ccc12)N)C)N; Cc1cc(nc2c1cc(c
    c2)N)N; Cc1cc(N)nc2ccc(N)cc12    		 4-methylquinoline-2,6-diamine
    32324 OTX
    CHEMBL5170592    		 1 C23 H18 Cl2 F3 N9 O2 InChI=1S/C23H18Cl2F3N9O2/
    c1-34-19(9-29-32-34)14-8-
    30-35(10-14)16(6-7-39-23(
    27)28)17-4-2-13(11-37(17)
    38)21-18(5-3-15(24)22(21)
    26)36-12-20(25)31-33-36/h
    2-5,8-12,16,23H,6-7H2,1H3
    /t16-/m1/s1;
    BETDGMHNHGHORO-MRXNPFEDSA-N    		 Cn1nncc1c2cnn(c2)[C@H](CCOC(F)F)c3ccc(c[
    n+]3[O-])c4c(F)c(Cl)ccc4n5cc(Cl)nn5; Cn1
    c(cnn1)c2cnn(c2)[C@H](CCOC(F)F)c3ccc(c[n
    +]3[O-])c4c(ccc(c4F)Cl)n5cc(nn5)Cl; Cn1n
    ncc1c2cnn(c2)[CH](CCOC(F)F)c3ccc(c[n+]3[
    O-])c4c(F)c(Cl)ccc4n5cc(Cl)nn5; Cn1c(cnn
    1)c2cnn(c2)C(CCOC(F)F)c3ccc(c[n+]3[O-])c
    4c(ccc(c4F)Cl)n5cc(nn5)Cl; Clc1cn(nn1)c1
    ccc(Cl)c(F)c1c1c[n+]([O-])c(cc1)C(CCOC(F
    )F)n1cc(cn1)c1cnnn1C    		 2-[(1~{R})-3-[bis(fluoranyl)methoxy]-1-[4-(3-methyl-1,2,3-triazol-4-yl)pyrazol-1-yl]propyl]-5-[3-chloranyl-6-(4-chloranyl-1,2,3-triazol-1-yl)-2-fluoranyl-phenyl]-1-oxidanyl-pyridine
    32325 OTY
    ZINC000002045187    		 2 C9 H11 N O4 InChI=1S/C9H11NO4/c10-7(9
    (13)14)3-5-1-2-6(11)4-8(5
    )12/h1-2,4,7,11-12H,3,10H
    2,(H,13,14)/t7-/m0/s1;
    UTIMIHJZXIJZKZ-ZETCQYMHSA-N    		 c1cc(c(cc1O)O)CC(C(=O)O)N; N[C@@H](Cc1cc
    c(O)cc1O)C(O)=O; O=C(O)C(N)Cc1ccc(O)cc1O
    ; c1cc(c(cc1O)O)C[C@@H](C(=O)O)N; N[CH](
    Cc1ccc(O)cc1O)C(O)=O    		 2-hydroxy-L-tyrosine
    32326 OTZ 0 C8 H7 N3 O3 S InChI=1S/C8H7N3O3S/c9-1-6
    -10-4(2-14-6)7-11-5(3-15-
    7)8(12)13/h2-3H,1,9H2,(H,
    12,13);
    HIYXIJXAZXCAKM-UHFFFAOYSA-N    		 c1c(nc(o1)CN)c2nc(cs2)C(=O)O; NCc1occ(n1
    )c2scc(n2)C(O)=O    		 2-[2-(aminomethyl)-1,3-oxazol-4-yl]-1,3-thiazole-4-carboxylic acid
    32327 OU0 1 C10 H13 N O3 InChI=1S/C10H13NO3/c1-6(2
    )8-5-9(12)14-11(8)10(13)7
    -3-4-7/h5-7H,3-4H2,1-2H3;
    MMPUYLPCMYQJRV-UHFFFAOYSA-N    		 CC(C)C1=CC(=O)ON1C(=O)C2CC2 2-cyclopropylcarbonyl-3-propan-2-yl-1,2-oxazol-5-one
    32328 OU1
    CHEMBL4449970    		 8 C21 H23 N3 O InChI=1S/C21H23N3O/c1-13-
    8-21(23)24-19-10-16(4-6-1
    8(13)19)15-5-7-20(17(9-15
    )11-22)25-12-14-2-3-14/h4
    -10,14H,2-3,11-12,22H2,1H
    3,(H2,23,24);
    YJCSKOOAQMAARS-UHFFFAOYSA-N    		 Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCC4CC4)
    N; Cc1cc(N)nc2cc(ccc12)c3ccc(OCC4CC4)c(C
    N)c3; c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3
    )OCC4CC4)CN    		 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine
    32329 OU2
    CHEMBL4756586    		 1 C30 H38 N6 O3 InChI=1S/C30H38N6O3/c1-2-
    32-30(39)26(18-15-21-9-5-
    3-6-10-21)35-28(37)23-16-
    13-22(14-17-23)19-33-29(3
    8)25-20-34-36(27(25)31)24
    -11-7-4-8-12-24/h4,7-8,11
    -14,16-17,20-21,26H,2-3,5
    -6,9-10,15,18-19,31H2,1H3
    ,(H,32,39)(H,33,38)(H,35,
    37)/t26-/m0/s1;
    WJTJZDOMFKCYEA-SANMLTNESA-N    		 CCNC(=O)[CH](CCC1CCCCC1)NC(=O)c2ccc(CNC(
    =O)c3cnn(c3N)c4ccccc4)cc2; CCNC(=O)[C@H]
    (CCC1CCCCC1)NC(=O)c2ccc(cc2)CNC(=O)c3cnn
    (c3N)c4ccccc4; CCNC(=O)C(CCC1CCCCC1)NC(=
    O)c2ccc(cc2)CNC(=O)c3cnn(c3N)c4ccccc4; C
    CNC(=O)[C@H](CCC1CCCCC1)NC(=O)c2ccc(CNC(
    =O)c3cnn(c3N)c4ccccc4)cc2    		 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide
    32330 OU3 1 C19 H19 F N2 O4 InChI=1S/C19H19FN2O4/c1-9
    (2)6-15-21-13-8-14(23)17(
    24)18(25)16(13)19(26)22(1
    5)11-4-5-12(20)10(3)7-11/
    h4-5,7-9,23-25H,6H2,1-3H3;
    FZPIZTYHLRGZPR-UHFFFAOYSA-N    		 CC(C)CC1=Nc2cc(O)c(O)c(O)c2C(=O)N1c3ccc(
    F)c(C)c3; Cc1cc(ccc1F)N2C(=Nc3cc(c(c(c3C
    2=O)O)O)O)CC(C)C    		 3-(4-fluoranyl-3-methyl-phenyl)-2-(2-methylpropyl)-5,6,7-tris(oxidanyl)quinazolin-4-one
    32331 OU4
    CHEMBL4555914    		 8 C21 H20 N4 O2 InChI=1S/C21H20N4O2/c1-13
    -6-21(23)25-19-8-15(2-4-1
    8(13)19)14-3-5-20(16(7-14
    )9-22)27-11-17-10-26-12-2
    4-17/h2-8,10,12H,9,11,22H
    2,1H3,(H2,23,25);
    JUUSNAFIFJKARW-UHFFFAOYSA-N    		 Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cocn
    4)N; c1(N)nc2c(c(c1)C)ccc(c2)c4ccc(OCc3n
    coc3)c(CN)c4; Cc1cc(N)nc2cc(ccc12)c3ccc(
    OCc4cocn4)c(CN)c3    		 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
    32332 OU5
    CHEMBL4650334    		 2 C20 H24 F2 N4 O3 InChI=1S/C20H24F2N4O3/c1-
    12-11-25(6-7-26(12)16-9-1
    4(21)8-15(22)10-16)17(27)
    4-5-20(13-2-3-13)18(28)23
    -19(29)24-20/h8-10,12-13H
    ,2-7,11H2,1H3,(H2,23,24,2
    8,29)/t12-,20-/m0/s1;
    CMLVKUWQFZQPPS-YUNKPMOVSA-N    		 C[C@H]1CN(CCN1c2cc(cc(c2)F)F)C(=O)CC[C@@
    ]3(C(=O)NC(=O)N3)C4CC4; C[CH]1CN(CCN1c2c
    c(F)cc(F)c2)C(=O)CC[C]3(NC(=O)NC3=O)C4CC
    4; C[C@H]1CN(CCN1c2cc(F)cc(F)c2)C(=O)CC[
    C@]3(NC(=O)NC3=O)C4CC4; CC1CN(CCN1c2cc(c
    c(c2)F)F)C(=O)CCC3(C(=O)NC(=O)N3)C4CC4    		 (5~{S})-5-[3-[(3~{S})-4-[3,5-bis(fluoranyl)phenyl]-3-methyl-piperazin-1-yl]-3-oxidanylidene-propyl]-5-cyclopropyl-imidazolidine-2,4-dione
    32333 OU6 4 C24 H25 N5 O5 S InChI=1S/C24H25N5O5S/c1-1
    5-7-16-9-18(11-25)27-24(1
    6)22(8-15)35(31,32)28(2)1
    2-23(30)26-17-3-4-20-21(1
    0-17)34-6-5-29(20)19-13-3
    3-14-19/h3-4,7-10,19,27H,
    5-6,12-14H2,1-2H3,(H,26,3
    0);
    LICCSNABLLQTEJ-UHFFFAOYSA-N    		 Cc1cc2cc([nH]c2c(c1)S(=O)(=O)N(C)CC(=O)N
    c3ccc4c(c3)OCCN4C5COC5)C#N; Cc1cc(c2[NH]
    c(C#N)cc2c1)S(=O)(=O)N(C)CC(=O)Nc1cc2OCC
    N(C3COC3)c2cc1; CN(CC(=O)Nc1ccc2N(CCOc2c
    1)C3COC3)[S](=O)(=O)c4cc(C)cc5cc([nH]c45
    )C#N    		 N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide
    32334 OU7
    CHEMBL4534970    		 4 C21 H20 N4 O S InChI=1S/C21H20N4OS/c1-13
    -6-21(23)25-19-8-15(2-4-1
    8(13)19)14-3-5-20(16(7-14
    )9-22)26-11-17-10-24-12-2
    7-17/h2-8,10,12H,9,11,22H
    2,1H3,(H2,23,25);
    SHBUNLMNTXCFTE-UHFFFAOYSA-N    		 Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cncs
    4)N; Cc1cc(N)nc2cc(ccc12)c3ccc(OCc4scnc4
    )c(CN)c3; c21nc(N)cc(c1ccc(c2)c4ccc(OCc3
    cncs3)c(CN)c4)C    		 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine
    32335 OU9 1 C23 H46 N O7 P InChI=1S/C23H46NO7P/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-23(26)31-22(
    20-25)21-30-32(27,28)29-1
    9-18-24/h9-10,22,25H,2-8,
    11-21,24H2,1H3,(H,27,28)/
    b10-9-/t22-/m0/s1;
    NOVZJYYJYIFXJC-DYYZXQNHSA-N    		 CCCCCCCC/C=C\CCCCCCCC(=O)O[C@@H](CO)COP(
    =O)(O)OCCN; CCCCCCCCC=CCCCCCCCC(=O)OC(CO
    )COP(=O)(O)OCCN; CCCCCCCCC=CCCCCCCCC(=O)
    O[CH](CO)CO[P](O)(=O)OCCN; CCCCCCCC\C=C/
    CCCCCCCC(=O)O[C@@H](CO)CO[P](O)(=O)OCCN    		 [(2~{S})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-oxidanyl-propan-2-yl] (~{Z})-octadec-9-enoate
    32336 OUA
    CHEMBL4598341    		 12 C16 H16 N4 InChI=1S/C16H16N4/c1-10-4
    -16(18)20-15-6-12(2-3-14(
    10)15)13-5-11(7-17)8-19-9
    -13/h2-6,8-9H,7,17H2,1H3,
    (H2,18,20);
    HOBAPTQHAPAEBE-UHFFFAOYSA-N    		 Cc1cc(nc2c1ccc(c2)c3cc(cnc3)CN)N; Cc3c2c
    cc(c1cc(CN)cnc1)cc2nc(c3)N; Cc1cc(N)nc2c
    c(ccc12)c3cncc(CN)c3    		 7-[5-(aminomethyl)pyridin-3-yl]-4-methylquinolin-2-amine
    32337 OUB
    CHEMBL493892
    ZINC000040430121    		 1 C9 H9 N3 O5 InChI=1S/C9H9N3O5/c10-5(8
    (14)15)1-12-6-3-17-2-4(6)
    7(13)11-9(12)16/h2-3,5H,1
    ,10H2,(H,14,15)(H,11,13,1
    6)/t5-/m0/s1;
    CAXDSUJFJPXUEH-YFKPBYRVSA-N    		 c1c2c(co1)N(C(=O)NC2=O)CC(C(=O)O)N; N[CH
    ](CN1C(=O)NC(=O)c2cocc12)C(O)=O; N[C@@H]
    (CN1C(=O)NC(=O)c2cocc12)C(O)=O; c1c2c(co
    1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N    		 (S)-1-(2'-Amino-2'-carboxyethyl)furo[3,4-d]pyrimidin-2,4-dione
    32338 OUC
    CHEMBL4437078    		 1 C20 H22 N2 O4 InChI=1S/C20H22N2O4/c1-11
    -7-15(24)8-12(2)16(11)10-
    18-20(26)21-17(19(25)22-1
    8)9-13-3-5-14(23)6-4-13/h
    3-8,17-18,23-24H,9-10H2,1
    -2H3,(H,21,26)(H,22,25)/t
    17-,18-/m0/s1;
    QLYLWUHZTOECNX-ROUUACIJSA-N    		 Cc1cc(cc(c1CC2C(=O)NC(C(=O)N2)Cc3ccc(cc3
    )O)C)O; Cc1cc(cc(c1C[C@H]2C(=O)N[C@H](C(
    =O)N2)Cc3ccc(cc3)O)C)O; Cc1cc(O)cc(C)c1C
    [CH]2NC(=O)[CH](Cc3ccc(O)cc3)NC2=O; Cc1c
    c(O)cc(C)c1C[C@@H]2NC(=O)[C@H](Cc3ccc(O)
    cc3)NC2=O    		 (3~{S},6~{S})-3-[(2,6-dimethyl-4-oxidanyl-phenyl)methyl]-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
    32339 OUD 0 C5 H10 N2 O4 InChI=1S/C5H10N2O4/c6-3(1
    -4(8)9)2-7-5(10)11/h3,7H,
    1-2,6H2,(H,8,9)(H,10,11)/
    t3-/m0/s1;
    KNPMIAWBJUCARG-VKHMYHEASA-N    		 N[CH](CNC(O)=O)CC(O)=O; C([C@@H](CNC(=O)
    O)N)C(=O)O; C(C(CNC(=O)O)N)C(=O)O; N[C@H
    ](CNC(O)=O)CC(O)=O    		 (3~{S})-3-azanyl-4-(carboxyamino)butanoic acid
    32340 OUE 0 C6 H12 N2 O4 InChI=1S/C6H12N2O4/c7-4(1
    -2-5(9)10)3-8-6(11)12/h4,
    8H,1-3,7H2,(H,9,10)(H,11,
    12)/t4-/m0/s1;
    OFEONCRDIBQIKF-BYPYZUCNSA-N    		 C(CC(=O)O)C(CNC(=O)O)N; C(CC(=O)O)[C@@H]
    (CNC(=O)O)N; N[C@@H](CCC(O)=O)CNC(O)=O;
    N[CH](CCC(O)=O)CNC(O)=O    		 (4~{S})-4-azanyl-5-(carboxyamino)pentanoic acid
    32341 OUF
    ZINC000006932475    		 1 C22 H27 N3 O4 InChI=1S/C22H27N3O4/c1-16
    (2)28-13-7-11-25(14-17-8-
    6-12-29-17)22(27)23-20-15
    -24(3)21(26)19-10-5-4-9-1
    8(19)20/h4-6,8-10,12,15-1
    6H,7,11,13-14H2,1-3H3,(H,
    23,27);
    AWGPPDHJJBIGAJ-UHFFFAOYSA-N    		 CC(C)OCCCN(Cc1occc1)C(=O)NC2=CN(C)C(=O)c
    3ccccc23; CC(C)OCCCN(Cc1ccco1)C(=O)NC2=C
    N(C(=O)c3c2cccc3)C; O=C1c2ccccc2C(=CN1C)
    NC(=O)N(CCCOC(C)C)Cc1ccco1    		 N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea
    32342 OUG
    CHEMBL4598339    		 8 C17 H17 N3 InChI=1S/C17H17N3/c1-11-7
    -17(19)20-16-9-14(5-6-15(
    11)16)13-4-2-3-12(8-13)10
    -18/h2-9H,10,18H2,1H3,(H2
    ,19,20);
    IYZDGTYWMCMPLR-UHFFFAOYSA-N    		 c31c(c(C)cc(N)n1)ccc(c2cc(ccc2)CN)c3; Cc
    1cc(N)nc2cc(ccc12)c3cccc(CN)c3; Cc1cc(nc
    2c1ccc(c2)c3cccc(c3)CN)N    		 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine
    32343 OUH 0 C7 H12 N4 O2 InChI=1S/C7H12N4O2/c8-5(2
    -10-7(12)13)1-6-3-9-4-11-
    6/h3-5,10H,1-2,8H2,(H,9,1
    1)(H,12,13)/t5-/m0/s1;
    ARHIBHLYEPIGGS-YFKPBYRVSA-N    		 c1c([nH]cn1)C[C@@H](CNC(=O)O)N; N[CH](CN
    C(O)=O)Cc1[nH]cnc1; c1c([nH]cn1)CC(CNC(=
    O)O)N; N[C@H](CNC(O)=O)Cc1[nH]cnc1    		 [(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid
    32344 OUI 0 C7 H16 N2 O2 InChI=1S/C7H16N2O2/c1-3-5
    (2)6(8)4-9-7(10)11/h5-6,9
    H,3-4,8H2,1-2H3,(H,10,11)
    /t5-,6+/m0/s1;
    XHOVPUFCTDLSHX-NTSWFWBYSA-N    		 CCC(C)C(CNC(=O)O)N; CC[CH](C)[CH](N)CNC(
    O)=O; CC[C@H](C)[C@@H](CNC(=O)O)N; CC[C@
    H](C)[C@H](N)CNC(O)=O    		 [(2~{S},3~{S})-2-azanyl-3-methyl-pentyl]carbamic acid
    32345 OUJ
    CHEMBL4465991    		 4 C21 H20 N4 O S InChI=1S/C21H20N4OS/c1-13
    -6-21(23)25-19-8-15(2-4-1
    8(13)19)14-3-5-20(16(7-14
    )9-22)26-10-17-11-27-12-2
    4-17/h2-8,11-12H,9-10,22H
    2,1H3,(H2,23,25);
    QMLWVSKDYLAYRJ-UHFFFAOYSA-N    		 Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cscn
    4)N; c1c(cc(CN)c(c1)OCc2cscn2)c4ccc3c(cc
    (nc3c4)N)C; Cc1cc(N)nc2cc(ccc12)c3ccc(OC
    c4cscn4)c(CN)c3    		 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine
    32346 OUK 0 C7 H18 N3 O2 InChI=1S/C7H17N3O2/c8-4-2
    -1-3-6(9)5-10-7(11)12/h6,
    10H,1-5,8-9H2,(H,11,12)/p
    +1/t6-/m0/s1;
    PKUJRMQNFKAGAN-LURJTMIESA-O    		 N[C@@H](CCCC[NH3+])CNC(O)=O; C(CC[NH3+])
    C[C@@H](CNC(=O)O)N; C(CC[NH3+])CC(CNC(=O
    )O)N; N[CH](CCCC[NH3+])CNC(O)=O    		 [(5~{S})-5-azanyl-6-(carboxyamino)hexyl]azanium
    32347 OUL
    CHEMBL1438938
    ZINC000000235625    		 2 C14 H12 N2 O3 InChI=1S/C14H12N2O3/c15-1
    3(17)9-1-5-11(6-2-9)19-12
    -7-3-10(4-8-12)14(16)18/h
    1-8H,(H2,15,17)(H2,16,18);
    XZRCQWLPMXFGHE-UHFFFAOYSA-N    		 NC(=O)c1ccc(Oc2ccc(cc2)C(N)=O)cc1; c1cc(
    ccc1C(=O)N)Oc2ccc(cc2)C(=O)N    		 4-(4-aminocarbonylphenoxy)benzamide;
    OUL35
    32348 OUM
    CHEMBL4473567    		 6 C25 H22 N4 O InChI=1S/C25H22N4O/c1-16-
    10-25(28)29-23-12-20(6-8-
    22(16)23)19-7-9-24(21(11-
    19)14-27)30-15-18-4-2-17(
    13-26)3-5-18/h2-12H,14-15
    ,27H2,1H3,(H2,28,29);
    PKODNLRUHCVLDH-UHFFFAOYSA-N    		 Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4ccc(
    cc4)C#N)N; Cc1cc(N)nc2cc(ccc12)c3ccc(OCc
    4ccc(cc4)C#N)c(CN)c3; c21c(c(cc(n1)N)C)c
    cc(c2)c3ccc(c(CN)c3)OCc4ccc(cc4)C#N    		 4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile
    32349 OUO
    ZINC000013549583    		 8 C6 H10 O5 InChI=1S/C6H10O5/c7-3-4(6
    (10)11)1-2-5(8)9/h4,7H,1-
    3H2,(H,8,9)(H,10,11)/t4-/
    m1/s1;
    XPQIPNORJZZYPV-SCSAIBSYSA-N    		 C(CC(=O)O)[C@H](CO)C(=O)O; OC[C@@H](CCC(
    O)=O)C(O)=O; OC(=O)C(CCC(O)=O)CO; C(CC(=
    O)O)C(CO)C(=O)O; OC[CH](CCC(O)=O)C(O)=O    		 (2R)-2-(hydroxymethyl)pentanedioic acid
    32350 OUP
    CHEMBL4521790    		 8 C22 H25 N3 O InChI=1S/C22H25N3O/c1-14-
    9-22(24)25-20-11-17(5-7-1
    9(14)20)16-6-8-21(18(10-1
    6)12-23)26-13-15-3-2-4-15
    /h5-11,15H,2-4,12-13,23H2
    ,1H3,(H2,24,25);
    COAPMJAWQNAPQG-UHFFFAOYSA-N    		 Cc1cc(N)nc2cc(ccc12)c3ccc(OCC4CCC4)c(CN)
    c3; c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCC4C
    CC4)CN)N; Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)C
    N)OCC4CCC4)N    		 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine
    32351 OUQ
    ZINC000036673024    		 1 C12 H16 F N O InChI=1S/C12H16FNO/c1-12(
    2)8-15-11(7-14-12)9-4-3-5
    -10(13)6-9/h3-6,11,14H,7-
    8H2,1-2H3/t11-/m0/s1;
    MVNHMIHGVNHOFP-NSHDSACASA-N    		 CC1(CO[C@@H](CN1)c2cccc(c2)F)C; CC1(COC(
    CN1)c2cccc(c2)F)C; CC1(C)CO[C@@H](CN1)c2
    cccc(F)c2; CC1(C)CO[CH](CN1)c2cccc(F)c2    		 (2~{R})-2-(3-fluorophenyl)-5,5-dimethyl-morpholine
    32352 OUR 0 C7 H18 N5 O2 InChI=1S/C7H17N5O2/c8-5(4
    -12-7(13)14)2-1-3-11-6(9)
    10/h5,12H,1-4,8H2,(H,13,1
    4)(H4,9,10,11)/p+1/t5-/m0
    /s1;
    BPSMJLMFAYHPDH-YFKPBYRVSA-O    		 N[CH](CCCNC(N)=[NH2+])CNC(O)=O; N[C@@H](
    CCCNC(N)=[NH2+])CNC(O)=O; C(CC(CNC(=O)O)
    N)CNC(=[NH2+])N; C(C[C@@H](CNC(=O)O)N)CN
    C(=[NH2+])N    		 [azanyl-[[(4~{S})-4-azanyl-5-(carboxyamino)pentyl]amino]methylidene]azanium
    32353 OUS
    CHEMBL4576585    		 10 C23 H22 N4 O InChI=1S/C23H22N4O/c1-15-
    9-23(25)27-21-11-18(4-6-2
    0(15)21)17-5-7-22(19(10-1
    7)12-24)28-14-16-3-2-8-26
    -13-16/h2-11,13H,12,14,24
    H2,1H3,(H2,25,27);
    RSZQDXJFSPTWRD-UHFFFAOYSA-N    		 Cc1cc(nc2c1ccc(c2)c3ccc(c(c3)CN)OCc4cccn
    c4)N; c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCc
    4cnccc4)CN)N; Cc1cc(N)nc2cc(ccc12)c3ccc(
    OCc4cccnc4)c(CN)c3    		 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine
    32354 OUT
    CHEMBL125278
    DB04261
    ZINC000008383199    		 0 C H3 N O2 InChI=1S/CH3NO2/c2-1(3)4/
    h2H2,(H,3,4);
    KXDHJXZQYSOELW-UHFFFAOYSA-N    		 NC(O)=O; O=C(O)N; C(=O)(N)O CARBAMIC ACID
    32355 OUU 3 C11 H19 N O7 InChI=1S/C11H19NO7/c1-5(1
    3)12-2-3-19-10-8(11(17)18
    )6(14)4-7(15)9(10)16/h6-1
    0,14-16H,2-4H2,1H3,(H,12,
    13)(H,17,18)/t6-,7-,8-,9+
    ,10+/m0/s1;
    PCCLVLLYDLIJIM-RXKWGBCNSA-N    		 CC(=O)NCCOC1C(C(CC(C1O)O)O)C(=O)O; CC(=O
    )NCCO[CH]1[CH](O)[CH](O)C[CH](O)[CH]1C(O
    )=O; CC(=O)NCCO[C@@H]1[C@H]([C@H](C[C@@H
    ]([C@H]1O)O)O)C(=O)O; CC(=O)NCCO[C@H]1[C
    @H](O)[C@@H](O)C[C@H](O)[C@@H]1C(O)=O    		 (1~{S},2~{R},3~{R},4~{S},6~{S})-2-(2-acetamidoethoxy)-3,4,6-tris(oxidanyl)cyclohexane-1-carboxylic acid
    32356 OUW
    CHEMBL4593381
    ZINC000035673683    		 2 C8 H11 N3 O InChI=1S/C8H11N3O/c1-9-6-
    3-4-11-7(5-6)8(12)10-2/h3
    -5H,1-2H3,(H,9,11)(H,10,1
    2);
    YKMVOSKHDGRIPD-UHFFFAOYSA-N    		 CNC(=O)c1cc(NC)ccn1; CNc1ccnc(c1)C(=O)NC ~{N}-methyl-4-(methylamino)pyridine-2-carboxamide
    32357 OUY
    CHEMBL4072381    		 1 C20 H18 F2 N4 O5 InChI=1S/C20H18F2N4O5/c1-
    31-15(27)5-2-10-6-13-17(2
    3)16(20(29)26(30)18(13)24
    -8-10)19(28)25-9-11-3-4-1
    2(21)7-14(11)22/h3-4,6-8,
    30H,2,5,9,23H2,1H3,(H,25,
    28);
    JVWFVALMCGSXOC-UHFFFAOYSA-N    		 COC(=O)CCc1cc2c(nc1)N(C(=O)C(=C2N)C(=O)N
    Cc3ccc(cc3F)F)O; COC(=O)CCc1cnc2N(O)C(=O
    )C(=C(N)c2c1)C(=O)NCc3ccc(F)cc3F    		 methyl 3-[5-azanyl-6-[[2,4-bis(fluoranyl)phenyl]methylcarbamoyl]-8-oxidanyl-7-oxidanylidene-1,8-naphthyridin-3-yl]propanoate
    32358 OUZ 1 C15 H24 N2 O InChI=1S/C15H24N2O/c1-3-1
    6-9-10-17-11-15(18-12-13(
    17)2)14-7-5-4-6-8-14/h4-8
    ,13,15-16H,3,9-12H2,1-2H3
    /t13-,15-/m1/s1;
    VKGGANBMWGYYDB-UKRRQHHQSA-N    		 CCNCCN1CC(OCC1C)c2ccccc2; CCNCCN1C[CH](O
    C[CH]1C)c2ccccc2; CCNCCN1C[C@@H](OC[C@H]
    1C)c2ccccc2    		 ~{N}-ethyl-2-[(2~{S},5~{R})-5-methyl-2-phenyl-morpholin-4-yl]ethanamine
    32359 OV0 2 C24 H18 F2 N4 O2 InChI=1S/C24H18F2N4O2/c25
    -16-4-3-5-17(26)21(16)18-
    12-19(22-20(29-18)13-27-2
    3(22)31)28-15-8-6-14(7-9-
    15)24(32)30-10-1-2-11-30/
    h3-9,12-13H,1-2,10-11H2,(
    H,28,29);
    IIQPGWZFSIWDHM-UHFFFAOYSA-N    		 O=C(c1ccc(Nc2cc(nc3C=NC(=O)c32)c2c(F)ccc
    c2F)cc1)N1CCCC1; Fc1cccc(F)c1c2cc(Nc3ccc
    (cc3)C(=O)N4CCCC4)c5C(=O)N=Cc5n2; c1cc(c
    (c(c1)F)c2cc(c3c(n2)C=NC3=O)Nc4ccc(cc4)C
    (=O)N5CCCC5)F    		 2-(2,6-difluorophenyl)-4-[4-(pyrrolidine-1-carbonyl)anilino]-5H-pyrrolo[3,4-b]pyridin-5-one
    32360 OV1 7 C25 H49 N3 O6 S InChI=1S/C25H49N3O6S/c1-8
    -9-10-11-21(30)28-22(17(4
    )5)25(33)26-19(12-13-35(7
    )34)24(32)27-20(14-16(2)3
    )23(31)18(6)15-29/h16-20,
    22-23,29,31H,8-15H2,1-7H3
    ,(H,26,33)(H,27,32)(H,28,
    30)/t18-,19+,20+,22+,23+,
    35-/m1/s1;
    LBVOFIKOXKWSTC-WFKZTUFRSA-N    		 CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC[
    S@@](C)=O)C(=O)N[C@@H](CC(C)C)[C@@H](O)[
    C@H](C)CO; O=C(NC(C(=O)NC(CC(C)C)C(O)C(C
    )CO)CCS(=O)C)C(NC(=O)CCCCC)C(C)C; CCCCCC
    (=O)NC(C(C)C)C(=O)NC(CCS(=O)C)C(=O)NC(CC
    (C)C)C(C(C)CO)O; CCCCCC(=O)N[C@@H](C(C)C
    )C(=O)N[C@@H](CC[S@](=O)C)C(=O)N[C@@H](C
    C(C)C)[C@H]([C@H](C)CO)O; CCCCCC(=O)N[CH
    ](C(C)C)C(=O)N[CH](CC[S](C)=O)C(=O)N[CH]
    (CC(C)C)[CH](O)[CH](C)CO    		 N-[(2S)-1-({(2S)-1-{[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]amino}-4-[(R)-methylsulfinyl]-1-oxobutan-2-yl}amino)-3-methyl-1-oxobutan-2-yl]hexanamide;
    Carmaphycin A, bound form
    32361 OV2
    ZINC000098209277    		 9 C27 H52 N4 O6 InChI=1S/C27H52N4O6/c1-9-
    10-11-12-22(33)30-24(18(4
    )5)27(37)28-20(13-14-23(3
    4)31(7)8)26(36)29-21(15-1
    7(2)3)25(35)19(6)16-32/h1
    7-21,24-25,32,35H,9-16H2,
    1-8H3,(H,28,37)(H,29,36)(
    H,30,33)/t19-,20+,21+,24+
    ,25+/m1/s1;
    GCNGDQPTMQHXBF-SHYPXNFWSA-N    		 CCCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC
    (=O)N(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)[
    C@H](C)CO; CCCCCC(=O)NC(C(C)C)C(=O)NC(CC
    C(=O)N(C)C)C(=O)NC(CC(C)C)C(C(C)CO)O; O=
    C(NC(C(O)C(CO)C)CC(C)C)C(NC(=O)C(NC(=O)C
    CCCC)C(C)C)CCC(=O)N(C)C; CCCCCC(=O)N[C@@
    H](C(C)C)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)
    N[C@@H](CC(C)C)[C@H]([C@H](C)CO)O; CCCCC
    C(=O)N[CH](C(C)C)C(=O)N[CH](CCC(=O)N(C)C
    )C(=O)N[CH](CC(C)C)[CH](O)[CH](C)CO    		 N-hexanoyl-L-valyl-N~1~-[(2R,3S,4S)-1,3-dihydroxy-2,6-dimethylheptan-4-yl]-N~5~,N~5~-dimethyl-L-glutamamide;
    Carmaphycin A analogue, bound from
    32362 OV3 3 C11 H16 F3 N O7 InChI=1S/C11H16F3NO7/c12-
    11(13,14)10(21)15-1-2-22-
    8-6(9(19)20)4(16)3-5(17)7
    (8)18/h4-8,16-18H,1-3H2,(
    H,15,21)(H,19,20)/t4-,5-,
    6-,7+,8+/m0/s1;
    LCSQNEOJAYNASK-QYYLWSOASA-N    		 C1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O
    CCNC(=O)C(F)(F)F)C(=O)O)O; O[CH]1C[CH](O
    )[CH]([CH](OCCNC(=O)C(F)(F)F)[CH]1O)C(O)
    =O; O[C@H]1C[C@H](O)[C@@H]([C@@H](OCCNC(
    =O)C(F)(F)F)[C@@H]1O)C(O)=O; C1C(C(C(C(C
    1O)O)OCCNC(=O)C(F)(F)F)C(=O)O)O    		 (1~{S},2~{R},3~{R},4~{S},6~{S})-3,4,6-tris(oxidanyl)-2-[2-[2,2,2-tris(fluoranyl)ethanoylamino]ethoxy]cyclohexane-1-carboxylic acid
    32363 OV4 1 C23 H23 N5 O InChI=1S/C23H23N5O/c1-26(
    2)19-12-14-20(15-13-19)27
    (16-18-8-4-3-5-9-18)23(29
    )17-28-22-11-7-6-10-21(22
    )24-25-28/h3-15H,16-17H2,
    1-2H3;
    KOZCSUYCMLWBNN-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)Cn3c4ccc
    cc4nn3; CN(C)c1ccc(cc1)N(Cc2ccccc2)C(=O)
    Cn3nnc4ccccc34; CN(C)c1ccc(cc1)N(Cc1cccc
    c1)C(=O)Cn1nnc2ccccc21    		 2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide
    32364 OV5 5 C21 H15 Cl F N5 O2 InChI=1S/C21H15ClFN5O2/c1
    -2-24-20(29)11-6-7-17(25-
    9-11)28-15-8-14(18-12(22)
    4-3-5-13(18)23)27-16-10-2
    6-21(30)19(15)16/h3-10H,2
    H2,1H3,(H,24,29)(H,25,27,
    28);
    GRSCUMLWKVMZMN-UHFFFAOYSA-N    		 CCNC(=O)c1ccc(Nc2cc(nc3C=NC(=O)c23)c4c(F
    )cccc4Cl)nc1; CCNC(=O)c1ccc(nc1)Nc2cc(nc
    3c2C(=O)N=C3)c4c(cccc4Cl)F; CCNC(=O)c1cc
    c(nc1)Nc1cc(nc2C=NC(=O)c12)c1c(F)cccc1Cl    		 6-{[(2M)-2-(2-chloro-6-fluorophenyl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-4-yl]amino}-N-ethylpyridine-3-carboxamide
    32365 OV6 2 C21 H36 N4 O11 InChI=1S/C21H36N4O11/c1-4
    -5-32-20-14(22-10(2)28)16
    (30)18(13(8-27)35-20)36-2
    1-17(31)19(15(29)12(7-26)
    34-21)33-9-11-6-25(3)24-2
    3-11/h6,12-21,26-27,29-31
    H,4-5,7-9H2,1-3H3,(H,22,2
    8)/t12-,13-,14-,15+,16-,1
    7-,18-,19+,20-,21+/m1/s1;
    MSOLTVRMDPXMPE-WFNKYQNYSA-N    		 CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C
    O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)
    O)OCc3cn(nn3)C)O)O)NC(=O)C; CCCO[CH]1O[C
    H](CO)[CH](O[CH]2O[CH](CO)[CH](O)[CH](OC
    c3cn(C)nn3)[CH]2O)[CH](O)[CH]1NC(C)=O; C
    CCOC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)O)OC
    c3cn(nn3)C)O)O)NC(=O)C; CCCO[C@@H]1O[C@H
    ](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C
    @H](OCc3cn(C)nn3)[C@H]2O)[C@H](O)[C@H]1N
    C(C)=O    		 ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(1-methyl-1,2,3-triazol-4-yl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide
    32366 OV7 0 C4 H7 N O4 S InChI=1S/C4H7NO4S/c5-3(4(
    8)9)10-1-2(6)7/h3H,1,5H2,
    (H,6,7)(H,8,9)/t3-/m1/s1;
    FDUUQONQQWJTKJ-GSVOUGTGSA-N    		 C(C(=O)O)SC(C(=O)O)N; C(C(=O)O)S[C@H](C(
    =O)O)N; N[CH](SCC(O)=O)C(O)=O; NC(C(O)=O
    )SCC(O)=O; N[C@H](SCC(O)=O)C(O)=O    		 (2R)-amino[(carboxymethyl)sulfanyl]acetic acid
    32367 OV8
    CHEMBL4871079    		 1 C18 H34 N6 O7 S InChI=1S/C18H34N6O7S/c1-1
    1(2)6-14(20)18(27)22-32(2
    8,29)31-10-15-17(26)16(25
    )12(9-30-15)4-3-5-24-8-13
    (7-19)21-23-24/h8,11-12,1
    4-17,25-26H,3-7,9-10,19-2
    0H2,1-2H3,(H,22,27)/t12-,
    14+,15-,16+,17-/m1/s1;
    CBXGRYCGMRFRFP-LMLQULGWSA-N    		 CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@
    H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CN)O)O)N
    ; CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O
    C[CH](CCCn2cc(CN)nn2)[CH](O)[CH]1O; CC(C
    )C[C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1OC[C@
    @H](CCCn2cc(CN)nn2)[C@H](O)[C@@H]1O; CC(
    C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCCn2c
    c(nn2)CN)O)O)N    		 [(2~{R},3~{S},4~{S},5~{R})-5-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    32368 OV9
    CHEMBL1738820
    ZINC000006090930    		 0 C7 H5 N5 O3 InChI=1S/C7H5N5O3/c8-7-11
    -4-3(5(13)12-7)9-1-2(10-4
    )6(14)15/h1H,(H,14,15)(H3
    ,8,10,11,12,13);
    NZLJLZVXWBEGCE-UHFFFAOYSA-N    		 c1c(nc2c(n1)C(=O)NC(=N2)N)C(=O)O; NC1=Nc
    2nc(cnc2C(=O)N1)C(O)=O    		 2-azanyl-4-oxidanylidene-3~{H}-pteridine-7-carboxylic acid
    32369 OVA
    DB04324
    ZINC000012504299    		 4 C16 H26 O5 InChI=1S/C16H26O5/c1-10(2
    )6-7-12-15(4,21-12)16(19)
    13(20-5)11(17)8-9-14(16,3
    )18/h6,12-13,18-19H,7-9H2
    ,1-5H3/t12-,13-,14-,15+,1
    6-/m1/s1;
    UOXVFQCRPDLSFN-DGXTUMSLSA-N    		 O=C2C(OC)C(O)(C1(OC1C/C=C(/C)C)C)C(O)(C)
    CC2; CC(=CC[C@@H]1[C@@](O1)(C)[C@]2([C@@
    H](C(=O)CC[C@@]2(C)O)OC)O)C; CC(=CCC1C(O
    1)(C)C2(C(C(=O)CCC2(C)O)OC)O)C; CO[CH]1C
    (=O)CC[C](C)(O)[C]1(O)[C]2(C)O[CH]2CC=C(
    C)C; CO[C@@H]1C(=O)CC[C@@](C)(O)[C@@]1(O
    )[C@@]2(C)O[C@@H]2CC=C(C)C    		 3,4-DIHYDROXY-2-METHOXY-4-METHYL-3-[2-METHYL-3-(3-METHYL-BUT-2-ENYL) -OXIRANYL]-CYCLOHEXANONE;
    OVALICIN
    32370 OVB
    CHEMBL4864965    		 1 C24 H34 F3 N5 O8 S InChI=1S/C24H34F3N5O8S/c1
    -14(2)10-18(28)23(35)30-4
    1(36,37)39-13-20-22(34)21
    (33)16(12-38-20)4-3-9-32-
    11-19(29-31-32)15-5-7-17(
    8-6-15)40-24(25,26)27/h5-
    8,11,14,16,18,20-22,33-34
    H,3-4,9-10,12-13,28H2,1-2
    H3,(H,30,35)/t16-,18+,20-
    ,21+,22-/m1/s1;
    RYNRVLDROIFGBF-RCUFNAHASA-N    		 CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCC
    n2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O)N; CC(C
    )C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[CH](
    CCCn2cc(nn2)c3ccc(OC(F)(F)F)cc3)[CH](O)[
    CH]1O; CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC
    [C@H]1OC[C@@H](CCCn2cc(nn2)c3ccc(OC(F)(F
    )F)cc3)[C@H](O)[C@@H]1O; CC(C)C[C@@H](C(
    =O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H]
    (CO1)CCCn2cc(nn2)c3ccc(cc3)OC(F)(F)F)O)O
    )N    		 [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[4-(trifluoromethyloxy)phenyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    32371 OVC 1 C19 H12 F2 N4 O2 InChI=1S/C19H12F2N4O2/c1-
    27-11-7-5-10(6-8-11)23-18
    -16-14(9-22-19(16)26)24-1
    7(25-18)15-12(20)3-2-4-13
    (15)21/h2-9H,1H3,(H,23,24
    ,25);
    TWRUQHZKSONBRW-UHFFFAOYSA-N    		 COc1ccc(cc1)Nc2c3c(nc(n2)c4c(cccc4F)F)C=
    NC3=O; COc1ccc(Nc2nc(nc3C=NC(=O)c23)c4c(
    F)cccc4F)cc1; Fc1cccc(F)c1c1nc2C=NC(=O)c
    2c(n1)Nc1ccc(OC)cc1    		 2-(2,6-difluorophenyl)-4-(4-methoxyanilino)-5H-pyrrolo[3,4-d]pyrimidin-5-one
    32372 OVD 2 C20 H34 N4 O11 InChI=1S/C20H34N4O11/c1-3
    -4-31-19-13(22-9(2)27)15(
    29)17(12(7-26)34-19)35-20
    -16(30)18(14(28)11(6-25)3
    3-20)32-8-10-5-21-24-23-1
    0/h5,11-20,25-26,28-30H,3
    -4,6-8H2,1-2H3,(H,22,27)(
    H,21,23,24)/t11-,12-,13-,
    14+,15-,16-,17-,18+,19-,2
    0+/m1/s1;
    BHUHIMJWCDUIMU-MRHFAZSRSA-N    		 CCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C
    O)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)
    O)OCc3c[nH]nn3)O)O)NC(=O)C; CCCOC1C(C(C(
    C(O1)CO)OC2C(C(C(C(O2)CO)O)OCc3c[nH]nn3)
    O)O)NC(=O)C; CCCO[CH]1O[CH](CO)[CH](O[CH
    ]2O[CH](CO)[CH](O)[CH](OCc3c[nH]nn3)[CH]
    2O)[CH](O)[CH]1NC(C)=O; CCCO[C@@H]1O[C@H
    ](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C
    @H](OCc3c[nH]nn3)[C@H]2O)[C@H](O)[C@H]1N
    C(C)=O    		 ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(1~{H}-1,2,3-triazol-4-ylmethoxy)oxan-2-yl]oxy-4-oxidanyl-2-propoxy-oxan-3-yl]ethanamide
    32373 OVE 5 C10 H14 N5 O6 P S InChI=1S/C10H14N5O6PS/c11
    -8-5-9(13-2-12-8)15(3-14-
    5)10-7(21-22(18,19)23)6(1
    7)4(1-16)20-10/h2-4,6-7,1
    0,16-17H,1H2,(H2,11,12,13
    )(H2,18,19,23)/p-2/t4-,6-
    ,7-,10-/m1/s1;
    KWODASVFOLWUKA-KQYNXXCUSA-L    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO)O)OP(=O)(O)S)N; c1nc(c2c(n1)n(
    cn2)C3C(C(C(O3)CO)O)OP(=O)(O)S)N; Nc1ncn
    c2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H
    ]3O[P](O)(S)=O; Nc1ncnc2n(cnc12)[CH]3O[C
    H](CO)[CH](O)[CH]3O[P](O)(S)=O; [O-]P([S
    -])(=O)OC3C(O)C(OC3n2cnc1c(ncnc12)N)CO    		 2'-O-(sulfidophosphinato)adenosine;
    ADENOSINE-2'-MONOPHOSPHOROTHIOATE
    32374 OVF 1 C23 H22 Cl N5 O InChI=1S/C23H22ClN5O/c1-2
    7(2)19-10-12-20(13-11-19)
    28(15-17-6-5-7-18(24)14-1
    7)23(30)16-29-22-9-4-3-8-
    21(22)25-26-29/h3-14H,15-
    16H2,1-2H3;
    DJHGLSHYLFLFFG-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)N(Cc1cccc(Cl)c1)C(=O)Cn1n
    nc2ccccc21; CN(C)c1ccc(cc1)N(Cc2cccc(c2)
    Cl)C(=O)Cn3c4ccccc4nn3; CN(C)c1ccc(cc1)N
    (Cc2cccc(Cl)c2)C(=O)Cn3nnc4ccccc34    		 2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide
    32375 OVG 1 C14 H16 O4 InChI=1S/C14H16O4/c1-2-3-
    6-17-11-4-5-12-10(7-14(15
    )16)9-18-13(12)8-11/h4-5,
    8-9H,2-3,6-7H2,1H3,(H,15,
    16);
    SZOTYOZQWWESFH-UHFFFAOYSA-N    		 CCCCOc1ccc2c(CC(O)=O)coc2c1; C(=O)(O)Cc2
    coc1c2ccc(c1)OCCCC; CCCCOc1ccc2c(c1)occ2
    CC(=O)O    		 (6-butoxy-1-benzofuran-3-yl)acetic acid
    32376 OVH
    CHEMBL4861722    		 1 C23 H35 N5 O7 S InChI=1S/C23H35N5O7S/c1-1
    5(2)11-18(24)23(31)26-36(
    32,33)35-14-20-22(30)21(2
    9)17(13-34-20)9-6-10-28-1
    2-19(25-27-28)16-7-4-3-5-
    8-16/h3-5,7-8,12,15,17-18
    ,20-22,29-30H,6,9-11,13-1
    4,24H2,1-2H3,(H,26,31)/t1
    7-,18+,20-,21+,22-/m1/s1;
    GZWHBJQJDPZTNY-WQIFRTTPSA-N    		 CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[
    CH](CCCn2cc(nn2)c3ccccc3)[CH](O)[CH]1O;
    CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@
    H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3ccccc3
    )O)O)N; CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C
    (CO1)CCCn2cc(nn2)c3ccccc3)O)O)N; CC(C)C[
    C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1OC[C@@H]
    (CCCn2cc(nn2)c3ccccc3)[C@H](O)[C@@H]1O    		 [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-phenyl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    32377 OVI 1 C22 H17 F2 N5 O2 InChI=1S/C22H17F2N5O2/c1-
    2-25-17(30)10-12-6-8-13(9
    -7-12)27-21-19-16(11-26-2
    2(19)31)28-20(29-21)18-14
    (23)4-3-5-15(18)24/h3-9,1
    1H,2,10H2,1H3,(H,25,30)(H
    ,27,28,29);
    JPMGFORVJWNXAQ-UHFFFAOYSA-N    		 CCNC(=O)Cc1ccc(cc1)Nc2c3c(nc(n2)c4c(cccc
    4F)F)C=NC3=O; CCNC(=O)Cc1ccc(Nc2nc(nc3C=
    NC(=O)c23)c4c(F)cccc4F)cc1; CCNC(=O)Cc1c
    cc(cc1)Nc1nc(nc2C=NC(=O)c21)c1c(F)cccc1F    		 2-(4-{[2-(2,6-difluorophenyl)-5-oxo-5H-pyrrolo[3,4-d]pyrimidin-4-yl]amino}phenyl)-N-ethylacetamide
    32378 OVJ 1 C17 H15 N O4 InChI=1S/C17H15NO4/c1-21-
    14-5-2-12(3-6-14)18-13-4-
    7-15-11(8-17(19)20)10-22-
    16(15)9-13/h2-7,9-10,18H,
    8H2,1H3,(H,19,20);
    MFCXHNGDMBSNNX-UHFFFAOYSA-N    		 COc1ccc(Nc2ccc3c(CC(O)=O)coc3c2)cc1; c1(
    ccc(OC)cc1)Nc3ccc2c(occ2CC(=O)O)c3; COc1
    ccc(cc1)Nc2ccc3c(c2)occ3CC(=O)O    		 {6-[(4-methoxyphenyl)amino]-1-benzofuran-3-yl}acetic acid
    32379 OVK
    CHEMBL4855635    		 1 C20 H30 N6 O7 S InChI=1S/C20H30N6O7S/c1-1
    2(2)10-14(21)20(29)24-34(
    30,31)32-11-16-18(28)17(2
    7)15(33-16)8-9-26-23-19(2
    2-25-26)13-6-4-3-5-7-13/h
    3-7,12,14-18,27-28H,8-11,
    21H2,1-2H3,(H,24,29)/t14-
    ,15-,16+,17-,18+/m0/s1;
    AWUZSNXCDBPNMM-IECFSIQFSA-N    		 CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@
    H]([C@H]([C@@H](O1)CCn2nc(nn2)c3ccccc3)O
    )O)N; CC(C)C[C@H](N)C(=O)N[S](=O)(=O)OC[
    C@H]1O[C@@H](CCn2nnc(n2)c3ccccc3)[C@H](O
    )[C@@H]1O; CC(C)CC(C(=O)NS(=O)(=O)OCC1C(
    C(C(O1)CCn2nc(nn2)c3ccccc3)O)O)N; CC(C)C
    [CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH](CCn
    2nnc(n2)c3ccccc3)[CH](O)[CH]1O    		 [(2~{R},3~{S},4~{R},5~{S})-3,4-bis(oxidanyl)-5-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethyl]oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    32380 OVL 1 C29 H36 N14 O8 InChI=1S/C29H36N14O8/c30-
    23-17-25(37-10-35-23)42(1
    2-39-17)27-21(47)20(46)14
    (51-27)8-41-6-1-3-15-40-1
    8-24(31)36-11-38-26(18)43
    (15)28-22(48)19(45)13(50-
    28)7-34-29(49)33-5-2-4-32
    -16(44)9-41/h10-14,19-22,
    27-28,45-48H,2,4-9H2,(H,3
    2,44)(H2,30,35,37)(H2,31,
    36,38)(H2,33,34,49)/t13-,
    14-,19-,20-,21-,22-,27-,2
    8-/m1/s1;
    JUVLXNMEOQXWRD-CGZJSAOLSA-N    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CN4CC#Cc5n
    c6c(N)ncnc6n5[C@@H]7O[C@H](CNC(=O)NCCCNC
    (=O)C4)[C@@H](O)[C@H]7O)[C@@H](O)[C@H]3O
    ; Nc1ncnc2n(cnc12)[CH]3O[CH](CN4CC#Cc5nc
    6c(N)ncnc6n5[CH]7O[CH](CNC(=O)NCCCNC(=O)
    C4)[CH](O)[CH]7O)[CH](O)[CH]3O; c1nc(c2c
    (n1)n(cn2)C3C(C(C(O3)CN4CC#Cc5nc6c(ncnc6
    n5C7C(C(C(O7)CNC(=O)NCCCNC(=O)C4)O)O)N)O
    )O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@
    @H]([C@H](O3)CN4CC#Cc5nc6c(ncnc6n5[C@H]7
    [C@@H]([C@@H]([C@H](O7)CNC(=O)NCCCNC(=O)
    C4)O)O)N)O)O)N    		 (1~{R},25~{R},26~{S},27~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-26,27-bis(oxidanyl)-28-oxa-2,4,6,9,14,17,21,23-octazatetracyclo[23.2.1.0^{2,10}.0^{3,8}]octacosa-3(8),4,6,9-tetraen-11-yne-16,22-dione
    32381 OVM
    CHEMBL22425
    ZINC000000120430    		 2 C8 H8 O3 InChI=1S/C8H8O3/c1-11-7-4
    -2-3-6(5-7)8(9)10/h2-5H,1
    H3,(H,9,10);
    XHQZJYCNDZAGLW-UHFFFAOYSA-N    		 COc1cccc(c1)C(O)=O; COc1cccc(c1)C(=O)O;
    C(O)(c1cccc(c1)OC)=O    		 3-methoxybenzoic acid
    32382 OVN
    CHEMBL4850408    		 1 C21 H39 N5 O8 S InChI=1S/C21H39N5O8S/c1-1
    4(2)10-17(22)21(30)24-35(
    31,32)34-13-18-20(29)19(2
    8)15(12-33-18)6-5-8-26-11
    -16(23-25-26)7-3-4-9-27/h
    11,14-15,17-20,27-29H,3-1
    0,12-13,22H2,1-2H3,(H,24,
    30)/t15-,17+,18-,19+,20-/
    m1/s1;
    GYRXQACHPUUHBN-MTEHYEEQSA-N    		 CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCC
    n2cc(nn2)CCCCO)O)O)N; CC(C)C[C@H](N)C(=O
    )N[S](=O)(=O)OC[C@H]1OC[C@@H](CCCn2cc(CC
    CCO)nn2)[C@H](O)[C@@H]1O; CC(C)C[CH](N)C
    (=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(CC
    CCO)nn2)[CH](O)[CH]1O; CC(C)C[C@@H](C(=O
    )NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](C
    O1)CCCn2cc(nn2)CCCCO)O)O)N    		 [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-oxidanylbutyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    32383 OVO 1 C16 H14 N2 O InChI=1S/C16H14N2O/c17-16
    -18-15(11-19-16)14-8-6-13
    (7-9-14)10-12-4-2-1-3-5-1
    2/h1-9,11H,10H2,(H2,17,18
    );
    FZDQKNHCMWUWBD-UHFFFAOYSA-N    		 Nc1occ(n1)c2ccc(Cc3ccccc3)cc2; c1ccc(cc1
    )Cc2ccc(cc2)c3coc(n3)N    		 4-[4-(phenylmethyl)phenyl]-1,3-oxazol-2-amine;
    4-(4-benzylphenyl)-oxazol-2-amine
    32384 OVP
    CHEMBL69340
    ZINC000001641231    		 1 C8 H8 O2 S InChI=1S/C8H8O2S/c1-11-7-
    4-2-3-6(5-7)8(9)10/h2-5H,
    1H3,(H,9,10);
    PZGADOOBMVLBJE-UHFFFAOYSA-N    		 CSc1cccc(c1)C(O)=O; CSc1cccc(c1)C(=O)O 3-(methylsulfanyl)benzoic acid
    32385 OVQ
    CHEMBL4864716    		 1 C22 H34 N6 O7 S InChI=1S/C22H34N6O7S/c1-1
    4(2)9-17(23)22(31)26-36(3
    2,33)35-13-19-21(30)20(29
    )16(12-34-19)6-4-8-28-11-
    18(25-27-28)15-5-3-7-24-1
    0-15/h3,5,7,10-11,14,16-1
    7,19-21,29-30H,4,6,8-9,12
    -13,23H2,1-2H3,(H,26,31)/
    t16-,17+,19-,20+,21-/m1/s
    1;
    ADQFJUZJIVRSDT-LXDWIVHCSA-N    		 CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1OC[
    CH](CCCn2cc(nn2)c3cccnc3)[CH](O)[CH]1O;
    CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@
    H]([C@H]([C@@H](CO1)CCCn2cc(nn2)c3cccnc3
    )O)O)N; CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C
    (CO1)CCCn2cc(nn2)c3cccnc3)O)O)N; CC(C)C[
    C@H](N)C(=O)N[S](=O)(=O)OC[C@H]1OC[C@@H]
    (CCCn2cc(nn2)c3cccnc3)[C@H](O)[C@@H]1O    		 [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-(4-pyridin-3-yl-1,2,3-triazol-1-yl)propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    32386 OVR
    CHEMBL2165224
    DB11785
    ZINC000003197739    		 5 C17 H23 N O4 InChI=1S/C17H23NO4/c1-18-
    12-7-13(9-15(18)16(20)8-1
    2)22-17(21)14(10-19)11-5-
    3-2-4-6-11/h2-6,12-16,19-
    20H,7-10H2,1H3/t12-,13-,1
    4+,15+,16-/m0/s1;
    WTQYWNWRJNXDEG-RBZJEDDUSA-N    		 CN1C2CC(CC1C(C2)O)OC(=O)C(CO)c3ccccc3; C
    N1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O
    )[C@H](CO)c3ccccc3; CN1[C@@H]2C[C@H](O)[
    C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3;
    CN1C2CC(CC1C(O)C2)OC(=O)C(CO)c1ccccc1; C
    N1[CH]2C[CH](O)[CH]1C[CH](C2)OC(=O)[CH](
    CO)c3ccccc3    		 (1R,3S,5R,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl (2S)-3-hydroxy-2-phenylpropanoate
    32387 OVS 1 C16 H12 O4 InChI=1S/C16H12O4/c17-16(
    18)8-11-10-19-15-9-13(6-7
    -14(11)15)20-12-4-2-1-3-5
    -12/h1-7,9-10H,8H2,(H,17,
    18);
    SLCAFBFROXEZHX-UHFFFAOYSA-N    		 O(c1ccccc1)c2cc3c(cc2)c(CC(O)=O)co3; c1c
    cc(cc1)Oc2ccc3c(c2)occ3CC(=O)O; OC(=O)Cc
    1coc2cc(Oc3ccccc3)ccc12    		 (6-phenoxy-1-benzofuran-3-yl)acetic acid
    32388 OVT
    CHEMBL4876966    		 1 C25 H39 N5 O7 S InChI=1S/C25H39N5O7S/c1-1
    7(2)13-21(26)25(33)28-38(
    34,35)37-16-22-24(32)23(3
    1)19(15-36-22)9-6-12-30-1
    4-20(27-29-30)11-10-18-7-
    4-3-5-8-18/h3-5,7-8,14,17
    ,19,21-24,31-32H,6,9-13,1
    5-16,26H2,1-2H3,(H,28,33)
    /t19-,21+,22-,23+,24-/m1/
    s1;
    OGPNUIVQHZNEJO-MENZVKOBSA-N    		 CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@
    H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CCc3cccc
    c3)O)O)N; CC(C)C[C@H](N)C(=O)N[S](=O)(=O
    )OC[C@H]1OC[C@@H](CCCn2cc(CCc3ccccc3)nn2
    )[C@H](O)[C@@H]1O; CC(C)CC(C(=O)NS(=O)(=
    O)OCC1C(C(C(CO1)CCCn2cc(nn2)CCc3ccccc3)O
    )O)N; CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[C
    H]1OC[CH](CCCn2cc(CCc3ccccc3)nn2)[CH](O)
    [CH]1O    		 [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(2-phenylethyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    32389 OVU 1 C7 H10 O6 InChI=1S/C7H10O6/c8-2-1-7
    (12,6(10)11)5-4(13-5)3(2)
    9/h2-5,8-9,12H,1H2,(H,10,
    11)/t2-,3+,4+,5+,7-/m1/s1;
    ASWQMJLBZXDZCM-WPCLBDJUSA-N    		 C1[C@H]([C@@H]([C@H]2[C@@H]([C@]1(C(=O)O
    )O)O2)O)O; O[C@@H]1C[C@@](O)([C@H]2O[C@H
    ]2[C@H]1O)C(O)=O; O[CH]1C[C](O)([CH]2O[C
    H]2[CH]1O)C(O)=O; C1C(C(C2C(C1(C(=O)O)O)
    O2)O)O    		 (1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid
    32390 OVV
    CHEMBL67450
    ZINC000000330142    		 3 C8 H8 O2 InChI=1S/C8H8O2/c1-6-3-2-
    4-7(5-6)8(9)10/h2-5H,1H3,
    (H,9,10);
    GPSDUZXPYCFOSQ-UHFFFAOYSA-N    		 Cc1cccc(c1)C(=O)O; Cc1cccc(c1)C(O)=O 3-methylbenzoic acid
    32391 OVW
    CHEMBL4867227    		 1 C25 H47 N5 O7 S InChI=1S/C25H47N5O7S/c1-4
    -5-6-7-8-9-12-20-15-30(29
    -27-20)13-10-11-19-16-36-
    22(24(32)23(19)31)17-37-3
    8(34,35)28-25(33)21(26)14
    -18(2)3/h15,18-19,21-24,3
    1-32H,4-14,16-17,26H2,1-3
    H3,(H,28,33)/t19-,21+,22-
    ,23+,24-/m1/s1;
    KJHVCACMAXYEPW-MENZVKOBSA-N    		 CCCCCCCCc1cn(nn1)CCCC2COC(C(C2O)O)COS(=O
    )(=O)NC(=O)C(CC(C)C)N; CCCCCCCCc1cn(CCC[
    CH]2CO[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC(
    C)C)[CH](O)[CH]2O)nn1; CCCCCCCCc1cn(CCC[
    C@@H]2CO[C@H](CO[S](=O)(=O)NC(=O)[C@@H](
    N)CC(C)C)[C@@H](O)[C@H]2O)nn1; CCCCCCCCc
    1cn(nn1)CCC[C@@H]2CO[C@@H]([C@H]([C@H]2O
    )O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N    		 [(2~{R},3~{S},4~{S},5~{R})-5-[3-(4-octyl-1,2,3-triazol-1-yl)propyl]-3,4-bis(oxidanyl)oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    32392 OVX 3 C20 H16 Cl N3 O2 InChI=1S/C20H16ClN3O2/c21
    -15-5-3-6-16(10-15)24-9-8
    -23(13-19(24)25)20(26)18-
    12-22-11-14-4-1-2-7-17(14
    )18/h1-7,10-12H,8-9,13H2;
    OMBIOAUKLYASJI-UHFFFAOYSA-N    		 Clc1cccc(c1)N2CCN(CC2=O)C(=O)c3cncc4cccc
    c34; c1ccc2c(c1)cncc2C(=O)N3CCN(C(=O)C3)
    c4cccc(c4)Cl; O=C(c1cncc2ccccc21)N1CC(=O
    )N(CC1)c1cccc(Cl)c1    		 1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one
    32393 OVY 1 C11 H20 N2 O9 InChI=1S/C11H20N2O9/c1-4(
    15)12-8(10(19)9(18)7(17)3
    -14)6(16)2-5(13-22)11(20)
    21/h6-10,14,16-19,22H,2-3
    H2,1H3,(H,12,15)(H,20,21)
    /b13-5+/t6-,7+,8+,9+,10+/
    m0/s1;
    ROZSOFSDDJZICT-HMLDMLNFSA-N    		 CC(=O)N[C@H]([C@H](C/C(=N\O)/C(=O)O)O)[C
    @H]([C@@H]([C@@H](CO)O)O)O; CC(=O)NC(C(C
    C(=NO)C(=O)O)O)C(C(C(CO)O)O)O; CC(=O)N[C
    @H]([C@@H](O)C\C(=N/O)C(O)=O)[C@@H](O)[C
    @H](O)[C@H](O)CO; C(NC(C(C(C(CO)O)O)O)C(
    C/C(C(O)=O)=N\O)O)(C)=O; CC(=O)N[CH]([CH
    ](O)CC(=NO)C(O)=O)[CH](O)[CH](O)[CH](O)C
    O    		 (2E,4S,5R,6R,7S,8R)-5-(acetylamino)-4,6,7,8,9-pentahydroxy-2-(hydroxyimino)nonanoic acid (non-preferred name)
    32394 OVZ
    CHEMBL4871282    		 1 C25 H40 N6 O7 S InChI=1S/C25H40N6O7S/c1-1
    7(2)11-21(26)25(34)29-39(
    35,36)38-16-22-24(33)23(3
    2)19(15-37-22)9-6-10-31-1
    4-20(28-30-31)13-27-12-18
    -7-4-3-5-8-18/h3-5,7-8,14
    ,17,19,21-24,27,32-33H,6,
    9-13,15-16,26H2,1-2H3,(H,
    29,34)/t19-,21+,22-,23+,2
    4-/m1/s1;
    FOFGBZQNHMMVTL-MENZVKOBSA-N    		 CC(C)C[C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@
    H]([C@H]([C@@H](CO1)CCCn2cc(nn2)CNCc3ccc
    cc3)O)O)N; CC(C)C[C@H](N)C(=O)N[S](=O)(=
    O)OC[C@H]1OC[C@@H](CCCn2cc(CNCc3ccccc3)n
    n2)[C@H](O)[C@@H]1O; CC(C)CC(C(=O)NS(=O)
    (=O)OCC1C(C(C(CO1)CCCn2cc(nn2)CNCc3ccccc
    3)O)O)N; CC(C)C[CH](N)C(=O)N[S](=O)(=O)O
    C[CH]1OC[CH](CCCn2cc(CNCc3ccccc3)nn2)[CH
    ](O)[CH]1O    		 [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)amino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    32395 OW0
    CHEMBL569713
    DB00747
    ZINC000100037020    		 1 C17 H21 N O4 InChI=1S/C17H21NO4/c1-18-
    13-7-11(8-14(18)16-15(13)
    22-16)21-17(20)12(9-19)10
    -5-3-2-4-6-10/h2-6,11-16,
    19H,7-9H2,1H3/t11-,12-,13
    -,14+,15-,16+/m1/s1;
    STECJAGHUSJQJN-FWXGHANASA-N    		 CN1[CH]2C[CH](C[CH]1[CH]3O[CH]23)OC(=O)[
    CH](CO)c4ccccc4; CN1C2CC(CC1C3C2O3)OC(=O
    )C(CO)c4ccccc4; CN1[C@@H]2C[C@H](C[C@H]1
    [C@@H]3O[C@H]23)OC(=O)[C@H](CO)c4ccccc4;
    OCC(c1ccccc1)C(=O)OC1CC2N(C)C(C1)C1OC21
    ; CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC
    (=O)[C@H](CO)c4ccccc4    		 (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-yl (2S)-3-hydroxy-2-phenylpropanoate
    32396 OW1 2 C24 H35 F3 N4 O4 InChI=1S/C24H35F3N4O4/c1-
    7-13(10-12-8-9-28-18(12)3
    2)29-19(33)16-15-14(23(15
    ,5)6)11-31(16)20(34)17(22
    (2,3)4)30-21(35)24(25,26)
    27/h7,12-17H,1,8-11H2,2-6
    H3,(H,28,32)(H,29,33)(H,3
    0,35)/t12-,13+,14-,15-,16
    -,17+/m0/s1;
    TWWPGJPLBPBRGX-FHULIHMCSA-N    		 CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C
    (C)(C)C)NC(=O)C(F)(F)F)C(=O)N[C@@H](C[C@
    @H]3CCNC3=O)C=C)C; CC1(C2C1C(N(C2)C(=O)C
    (C(C)(C)C)NC(=O)C(F)(F)F)C(=O)NC(CC3CCNC
    3=O)C=C)C; CC(C)(C)[CH](NC(=O)C(F)(F)F)C
    (=O)N1C[CH]2[CH]([CH]1C(=O)N[CH](C[CH]3C
    CNC3=O)C=C)C2(C)C; CC(C)(C)[C@H](NC(=O)C
    (F)(F)F)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)
    N[C@@H](C[C@@H]3CCNC3=O)C=C)C2(C)C    		 Nirmatrelvir (reacted form);
    (1~{R},2~{S},5~{S})-3-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-6,6-dimethyl-~{N}-[(2~{S})-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]but-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    32397 OW2
    CHEMBL4864835    		 1 C26 H41 N7 O8 S InChI=1S/C26H41N7O8S/c1-1
    7(2)11-21(27)25(36)31-42(
    38,39)41-16-22-24(35)23(3
    4)19(15-40-22)9-6-10-33-1
    4-20(30-32-33)13-29-26(37
    )28-12-18-7-4-3-5-8-18/h3
    -5,7-8,14,17,19,21-24,34-
    35H,6,9-13,15-16,27H2,1-2
    H3,(H,31,36)(H2,28,29,37)
    /t19-,21+,22-,23+,24-/m1/
    s1;
    BUJGEMBLEXNUBK-MENZVKOBSA-N    		 CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(CO1)CCC
    n2cc(nn2)CNC(=O)NCc3ccccc3)O)O)N; CC(C)C
    [C@@H](C(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@
    H]([C@@H](CO1)CCCn2cc(nn2)CNC(=O)NCc3ccc
    cc3)O)O)N; CC(C)C[C@H](N)C(=O)N[S](=O)(=
    O)OC[C@H]1OC[C@@H](CCCn2cc(CNC(=O)NCc3cc
    ccc3)nn2)[C@H](O)[C@@H]1O; CC(C)C[CH](N)
    C(=O)N[S](=O)(=O)OC[CH]1OC[CH](CCCn2cc(C
    NC(=O)NCc3ccccc3)nn2)[CH](O)[CH]1O    		 [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-[[(phenylmethyl)carbamoylamino]methyl]-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    32398 OW4
    ZINC000000012530    		 1 C8 H9 N O2 InChI=1S/C8H9NO2/c1-9-7-4
    -2-3-6(5-7)8(10)11/h2-5,9
    H,1H3,(H,10,11);
    ZCCNWBPFIBQFQX-UHFFFAOYSA-N    		 CNc1cccc(c1)C(=O)O; CNc1cccc(c1)C(O)=O 3-(methylamino)benzoic acid
    32399 OW5
    CHEMBL4869028    		 1 C28 H45 N5 O7 S InChI=1S/C28H45N5O7S/c1-4
    -5-6-8-20-10-12-21(13-11-
    20)24-16-33(32-30-24)14-7
    -9-22-17-39-25(27(35)26(2
    2)34)18-40-41(37,38)31-28
    (36)23(29)15-19(2)3/h10-1
    3,16,19,22-23,25-27,34-35
    H,4-9,14-15,17-18,29H2,1-
    3H3,(H,31,36)/t22-,23+,25
    -,26+,27-/m1/s1;
    APPGUXVTRIHQDP-GVPWJHIJSA-N    		 CCCCCc1ccc(cc1)c2cn(nn2)CCCC3COC(C(C3O)O
    )COS(=O)(=O)NC(=O)C(CC(C)C)N; CCCCCc1ccc
    (cc1)c2cn(nn2)CCC[C@@H]3CO[C@@H]([C@H]([
    C@H]3O)O)COS(=O)(=O)NC(=O)[C@H](CC(C)C)N
    ; CCCCCc1ccc(cc1)c2cn(CCC[C@@H]3CO[C@H](
    CO[S](=O)(=O)NC(=O)[C@@H](N)CC(C)C)[C@@H
    ](O)[C@H]3O)nn2; CCCCCc1ccc(cc1)c2cn(CCC
    [CH]3CO[CH](CO[S](=O)(=O)NC(=O)[CH](N)CC
    (C)C)[CH](O)[CH]3O)nn2    		 [(2~{R},3~{S},4~{S},5~{R})-3,4-bis(oxidanyl)-5-[3-[4-(4-pentylphenyl)-1,2,3-triazol-1-yl]propyl]oxan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate
    32400 OW6 1 C29 H23 Cl N2 O6 InChI=1S/C29H23ClN2O6/c1-
    38-29(37)26(15-19-6-11-21
    (33)12-7-19)32-27(34)25-1
    6-23(28(35)36)22-14-18(8-
    13-24(22)31-25)3-2-17-4-9
    -20(30)10-5-17/h2-14,16,2
    6,33H,15H2,1H3,(H,32,34)(
    H,35,36)/b3-2+/t26-/m1/s1;
    CRHBWGFUPXDNDU-DXPVHIICSA-N    		 O=C(OC)C(Cc1ccc(O)cc1)NC(=O)c1cc(c2cc(cc
    c2n1)/C=C/c1ccc(Cl)cc1)C(=O)O; COC(=O)C(
    Cc1ccc(cc1)O)NC(=O)c2cc(c3cc(ccc3n2)C=Cc
    4ccc(cc4)Cl)C(=O)O; COC(=O)[CH](Cc1ccc(O
    )cc1)NC(=O)c2cc(C(O)=O)c3cc(C=Cc4ccc(Cl)
    cc4)ccc3n2; COC(=O)[C@@H](Cc1ccc(cc1)O)N
    C(=O)c2cc(c3cc(ccc3n2)/C=C/c4ccc(cc4)Cl)
    C(=O)O; COC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O
    )c2cc(C(O)=O)c3cc(\C=C\c4ccc(Cl)cc4)ccc3
    n2    		 6-[(E)-2-(4-chlorophenyl)ethenyl]-2-{[(2R)-3-(4-hydroxyphenyl)-1-methoxy-1-oxopropan-2-yl]carbamoyl}quinoline-4-carboxylic acid
    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).

    • lydsfumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218