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    OH HO _ B OH S Br
    H9E
    Name:[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
    Formula:C9 H9 B Br O3 S
    SMILES:O[B-](O)(O)c1sc2ccc(CBr)cc2c1
    InChi:InChI=1S/C9H9BBrO3S/c11-5-6-1-2-8-7(3-6)4-9(15-8)10(12,13)14/h1-4,12-14H,5H2/q-1
    Definition date:2018-12-03
    Last modified:2019-10-18
    Release date:2019-05-15
    Identifier:[5-(bromomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
    O _ O + N N N O CH 3 N
    IY1
    Name:5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile
    Formula:C19 H12 N4 O3
    SMILES:N#CC=2C(=O)N(c1ccc(cc1)[N+](=O)[O-])c3c(C=2)n(C)c4c3cccc4
    InChi:InChI=1S/C19H12N4O3/c1-21-16-5-3-2-4-15(16)18-17(21)10-12(11-20)19(24)22(18)13-6-8-14(9-7-13)23(25)26/h2-10H,1H3
    Synonyms:Indopy-1
    Definition date:2019-03-14
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile
    Fe Ni N N O + O
    J52
    Name:dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron
    Formula:C4 Fe N2 Ni O2
    SMILES:[Ni]C#[O+].O=C=[Fe](C#N)C#N
    InChi:InChI=1S/2CN.2CO.Fe.Ni/c4*1-2
    Definition date:2019-01-25
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:dicyano-(oxidaniumylidynemethylnickelio)-(oxidanylidenemethylidene)iron
    O S O OH O
    K1U
    Name:(3R)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid
    Formula:C19 H18 O4 S
    SMILES:OC(CC(Cc1ccccc1)C(=O)SCC(=O)c2ccccc2)=O
    InChi:InChI=1S/C19H18O4S/c20-17(15-9-5-2-6-10-15)13-24-19(23)16(12-18(21)22)11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,21,22)/t16-/m1/s1
    Definition date:2018-11-02
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(3R)-3-benzyl-4-oxo-4-[(2-oxo-2-phenylethyl)sulfanyl]butanoic acid
    S OH OH O
    K2U
    Name:(3~{R},4~{R})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid
    Formula:C18 H20 O3 S
    SMILES:O[CH](SCc1ccccc1)[CH](CC(O)=O)Cc2ccccc2
    InChi:InChI=1S/C18H20O3S/c19-17(20)12-16(11-14-7-3-1-4-8-14)18(21)22-13-15-9-5-2-6-10-15/h1-10,16,18,21H,11-13H2,(H,19,20)/t16-,18-/m1/s1
    Definition date:2018-11-04
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(3~{R},4~{R})-4-oxidanyl-3-(phenylmethyl)-4-(phenylmethylsulfanyl)butanoic acid
    F F F O O S
    K3U
    Name:S-(2-oxo-2-phenylethyl) (2R)-2-benzyl-4,4,4-trifluorobutanethioate
    Formula:C19 H17 F3 O2 S
    SMILES:O=C(c1ccccc1)CSC(=O)C(Cc2ccccc2)CC(F)(F)F
    InChi:InChI=1S/C19H17F3O2S/c20-19(21,22)12-16(11-14-7-3-1-4-8-14)18(24)25-13-17(23)15-9-5-2-6-10-15/h1-10,16H,11-13H2/t16-/m1/s1
    Definition date:2018-11-01
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:S-(2-oxo-2-phenylethyl) (2R)-2-benzyl-4,4,4-trifluorobutanethioate
    F F F O HN O N H N CH 3 H 3 C
    K7S
    Name:N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
    Formula:C23 H18 F3 N3 O2
    SMILES:c1(cc2c(cc1)N(C)C(N2)=O)c4cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc4C
    InChi:InChI=1S/C23H18F3N3O2/c1-13-6-8-17(27-21(30)15-4-3-5-16(10-15)23(24,25)26)12-18(13)14-7-9-20-19(11-14)28-22(31)29(20)2/h3-12H,1-2H3,(H,27,30)(H,28,31)
    Definition date:2018-11-08
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:N-[4-methyl-3-(1-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)phenyl]-3-(trifluoromethyl)benzamide
    NH 2 N H O HO O OH HO O N H _ B
    K9B
    Name:(4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
    Formula:C19 H29 B N3 O6
    SMILES:NCCN[CH]1CC[CH](CC1)CC(=O)N[CH]2Cc3cccc(C(O)=O)c3O[B-]2(O)O
    InChi:InChI=1S/C19H29BN3O6/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)29-20(16,27)28/h1-3,12,14,16,22,27-28H,4-11,21H2,(H,23,24)(H,25,26)/q-1/t12-,14-,16-/m0/s1
    Definition date:2019-05-07
    Last modified:2019-10-18
    Release date:2019-09-11
    Identifier:(4~{R})-4-[2-[4-(2-azanylethylamino)cyclohexyl]ethanoylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
    O OH H 2 N
    KFB
    Name:5-Aminovaleric Acid
    Formula:C5 H11 N O2
    SMILES:NCCCCC(O)=O
    InChi:InChI=1S/C5H11NO2/c6-4-2-1-3-5(7)8/h1-4,6H2,(H,7,8)
    Synonyms:5-aminopentanoic acid
    Definition date:2019-05-17
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:5-azanylpentanoic acid
    HO O _ B N H HN S HO
    KL5
    Name:1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea
    Formula:C15 H16 B N2 O3 S
    SMILES:O[B-]1(O)OCc2ccc(NC(=S)NCc3ccccc3)cc12
    InChi:InChI=1S/C15H16BN2O3S/c19-16(20)14-8-13(7-6-12(14)10-21-16)18-15(22)17-9-11-4-2-1-3-5-11/h1-8,19-20H,9-10H2,(H2,17,18,22)/q-1
    Definition date:2019-06-03
    Last modified:2019-10-18
    Release date:2019-08-28
    Identifier:1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea
    CH 3 CH 3 OH O O HO O O O O CH 3 H 3 C H 3 C H 3 C CH 3
    KUJ
    Name:(3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione
    Formula:C35 H54 O8
    SMILES:C(\C(=C/C(C)CCC([C@H]=[C@H]C(C)C1C(CC(O1)C(C)OC)C)O)C3C2CCCC(C)C2C(C)/C(O3)=C4/C(=O)COC4=O)O
    InChi:InChI=1S/C35H54O8/c1-19(11-13-26(37)14-12-21(3)32-22(4)16-29(42-32)24(6)40-7)15-25(17-36)34-27-10-8-9-20(2)30(27)23(5)33(43-34)31-28(38)18-41-35(31)39/h12,14-15,19-24,26-27,29-30,32,34,36-37H,8-11,13,16-18H2,1-7H3/b14-12+,25-15+,33-31+/t19-,20-,21+,22+,23+,24+,26+,27+,29-,30-,32+,34-/m1/s1
    Definition date:2019-01-16
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(3E)-3-{(1S,4S,4aS,5R,8aS)-1-[(2E,4R,7S,8E,10S)-1,7-dihydroxy-10-{(2R,3S,5R)-5-[(1S)-1-methoxyethyl]-3-methyloxolan-2-yl}-4-methylundeca-2,8-dien-2-yl]-4,5-dimethyloctahydro-3H-2-benzopyran-3-ylidene}oxolane-2,4-dione
    NH 2 O N N NH 2
    M2B
    Name:5-Amino-1-Phenylpyrazole-4-Carboxamide
    Formula:C10 H10 N4 O
    SMILES:NC(=O)c1cnn(c2ccccc2)c1N
    InChi:InChI=1S/C10H10N4O/c11-9-8(10(12)15)6-13-14(9)7-4-2-1-3-5-7/h1-6H,11H2,(H2,12,15)
    Definition date:2019-10-02
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:5-azanyl-1-phenyl-pyrazole-4-carboxamide
    Cl O O O N H N F CH 3
    MVY
    Name:methyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
    Formula:C14 H16 Cl F N2 O3
    SMILES:c1c(ccc(c1F)Cl)NC(C2CCCN(C(=O)OC)C2)=O
    InChi:InChI=1S/C14H16ClFN2O3/c1-21-14(20)18-6-2-3-9(8-18)13(19)17-10-4-5-11(15)12(16)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,17,19)/t9-/m0/s1
    Definition date:2019-04-22
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:methyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
    Cl O O O N H N F H 3 C
    MW4
    Name:ethyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
    Formula:C15 H18 Cl F N2 O3
    SMILES:c1c(ccc(c1F)Cl)NC(C2CCCN(C(OCC)=O)C2)=O
    InChi:InChI=1S/C15H18ClFN2O3/c1-2-22-15(21)19-7-3-4-10(9-19)14(20)18-11-5-6-12(16)13(17)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,20)/t10-/m0/s1
    Definition date:2019-04-22
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:ethyl (3S)-3-[(4-chloro-3-fluorophenyl)carbamoyl]piperidine-1-carboxylate
    Cl S O O O N H N F CH 3
    MWA
    Name:(3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
    Formula:C13 H16 Cl F N2 O3 S
    SMILES:c2(NC(C1CN(CCC1)S(C)(=O)=O)=O)ccc(c(c2)F)Cl
    InChi:InChI=1S/C13H16ClFN2O3S/c1-21(19,20)17-6-2-3-9(8-17)13(18)16-10-4-5-11(14)12(15)7-10/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)/t9-/m0/s1
    Definition date:2019-04-23
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(3S)-N-(4-chloro-3-fluorophenyl)-1-(methylsulfonyl)piperidine-3-carboxamide
    Cl O N H N N H F O H 3 C
    MWD
    Name:(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
    Formula:C16 H21 Cl F N3 O2
    SMILES:O=C(C1CCCN(C(NCCC)=O)C1)Nc2ccc(c(c2)F)Cl
    InChi:InChI=1S/C16H21ClFN3O2/c1-2-7-19-16(23)21-8-3-4-11(10-21)15(22)20-12-5-6-13(17)14(18)9-12/h5-6,9,11H,2-4,7-8,10H2,1H3,(H,19,23)(H,20,22)/t11-/m0/s1
    Definition date:2019-04-23
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(3S)-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide
    N N N N NH 2 NH 2 H 2 N O HO HO HO O O
    N37
    Name:9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine
    Formula:C24 H27 N7 O6
    SMILES:c12ncnc(c1ncn2C3OC(C(C3O)O)CC(C#Cc4cccc(c4)C(N)=O)CCC(N)C(O)=O)N
    InChi:InChI=1S/C24H27N7O6/c25-15(24(35)36)7-6-13(5-4-12-2-1-3-14(8-12)21(27)34)9-16-18(32)19(33)23(37-16)31-11-30-17-20(26)28-10-29-22(17)31/h1-3,8,10-11,13,15-16,18-19,23,32-33H,6-7,9,25H2,(H2,27,34)(H,35,36)(H2,26,28,29)/t13-,15-,16+,18+,19+,23+/m0/s1
    Definition date:2019-05-01
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:9-{9-amino-6-[(3-carbamoylphenyl)ethynyl]-5,6,7,8,9-pentadeoxy-D-glycero-alpha-L-talo-decofuranuronosyl}-9H-purin-6-amine
    S HN O OH O + N + N _ O O _ O O S O N H
    NEF
    Name:Nitrocefin - open form
    Formula:C21 H20 N4 O8 S2
    SMILES:OC(=O)[CH]1N[CH](SC[CH]1C=Cc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)[CH](NC(=O)Cc3sccc3)C=O
    InChi:InChI=1S/C21H20N4O8S2/c26-10-16(22-18(27)9-15-2-1-7-34-15)20-23-19(21(28)29)13(11-35-20)4-3-12-5-6-14(24(30)31)8-17(12)25(32)33/h1-8,10,13,16,19-20,23H,9,11H2,(H,22,27)(H,28,29)/b4-3+/t13-,16-,19-,20-/m1/s1
    Definition date:2018-09-26
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(2~{R},4~{R})-5-[(~{E})-2-(2,4-dinitrophenyl)ethenyl]-2-[(1~{R})-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-1,3-thiazinane-4-carboxylic acid
    Cl O N H N NH H 2 N F O
    O51
    Name:(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
    Formula:C15 H20 Cl F N4 O2
    SMILES:C(CNC(N2CC(C(Nc1cc(F)c(Cl)cc1)=O)CCC2)=O)N
    InChi:InChI=1S/C15H20ClFN4O2/c16-12-4-3-11(8-13(12)17)20-14(22)10-2-1-7-21(9-10)15(23)19-6-5-18/h3-4,8,10H,1-2,5-7,9,18H2,(H,19,23)(H,20,22)/t10-/m0/s1
    Definition date:2019-06-11
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(3S)-N~1~-(2-aminoethyl)-N~3~-(4-chloro-3-fluorophenyl)piperidine-1,3-dicarboxamide
    CH 3 NH 2 NH 2 HO O O O CH 3 N N
    O71
    Name:(4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}phenyl)acetic acid
    Formula:C25 H24 N4 O4
    SMILES:c4(CC)c(C#CC(c1cc3c(c(c1)c2ccc(cc2)CC(O)=O)OCO3)C)c(nc(n4)N)N
    InChi:InChI=1S/C25H24N4O4/c1-3-20-18(24(26)29-25(27)28-20)9-4-14(2)17-11-19(23-21(12-17)32-13-33-23)16-7-5-15(6-8-16)10-22(30)31/h5-8,11-12,14H,3,10,13H2,1-2H3,(H,30,31)(H4,26,27,28,29)/t14-/m1/s1
    Definition date:2019-06-17
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(4-{6-[(2S)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-2H-1,3-benzodioxol-4-yl}phenyl)acetic acid
    F F F Cl CH 3 N N H
    OJ7
    Name:3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole
    Formula:C15 H10 Cl F3 N2
    SMILES:c31c(nc(c1c2c(Cl)cc(cn2)C(F)(F)F)C)cccc3
    InChi:InChI=1S/C15H10ClF3N2/c1-8-13(10-4-2-3-5-12(10)21-8)14-11(16)6-9(7-20-14)15(17,18)19/h2-7,21H,1H3
    Definition date:2019-06-25
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-methyl-1H-indole
    HO O OH OH _ B O NH 2 N H O
    OK3
    Name:(4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
    Formula:C17 H18 B N2 O6
    SMILES:NCc1ccc(cc1)C(=O)N[CH]2Cc3cccc(C(O)=O)c3O[B-]2(O)O
    InChi:InChI=1S/C17H18BN2O6/c19-9-10-4-6-11(7-5-10)16(21)20-14-8-12-2-1-3-13(17(22)23)15(12)26-18(14,24)25/h1-7,14,24-25H,8-9,19H2,(H,20,21)(H,22,23)/q-1/t14-/m0/s1
    Definition date:2015-12-08
    Last modified:2019-10-18
    Release date:2016-08-10
    Identifier:(4~{R})-4-[[4-(aminomethyl)phenyl]carbonylamino]-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(10),6,8-triene-10-carboxylic acid
    H 3 C O N H S
    OK7
    Name:N-(thiophen-2-yl)acetamide
    Formula:C6 H7 N O S
    SMILES:CC(=O)Nc1sccc1
    InChi:InChI=1S/C6H7NOS/c1-5(8)7-6-3-2-4-9-6/h2-4H,1H3,(H,7,8)
    Definition date:2019-06-26
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:N-(thiophen-2-yl)acetamide
    N F N H O N O CH H 3 C F CH 3 N NH 2 S O
    P6J
    Name:N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide
    Formula:C22 H21 F2 N5 O3 S
    SMILES:COCC12C(C1)C(N=C(S2)N)(C)c3c(F)c(F)cc(c3)NC(=O)c4cnc(cn4)OCC#C
    InChi:InChI=1S/C22H21F2N5O3S/c1-4-5-32-17-10-26-15(9-27-17)19(30)28-12-6-13(18(24)14(23)7-12)21(2)16-8-22(16,11-31-3)33-20(25)29-21/h1,6-7,9-10,16H,5,8,11H2,2-3H3,(H2,25,29)(H,28,30)/t16-,21+,22+/m0/s1
    Definition date:2019-08-01
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide
    O O O OH O O OH O O P O CH 3 CH 3 NH 2
    Q3G
    Name:O-[(R)-[(2S)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl]-D-serine
    Formula:C40 H78 N O10 P
    SMILES:C(CCCCCCCCC)CCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(O)=O)N)OC(=O)CCCCCCCCCCCCCCC
    InChi:InChI=1S/C40H78NO10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(42)48-33-36(34-49-52(46,47)50-35-37(41)40(44)45)51-39(43)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h36-37H,3-35,41H2,1-2H3,(H,44,45)(H,46,47)/t36-,37+/m0/s1
    Definition date:2019-09-12
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:O-[(R)-[(2S)-2-(hexadecanoyloxy)-3-(octadecanoyloxy)propoxy](hydroxy)phosphoryl]-D-serine