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    CH 3 HN O O OH
    E9J
    Name:oxo{[(1S)-1-phenylethyl]amino}acetic acid
    Formula:C10 H11 N O3
    SMILES:C(C(NC(C)c1ccccc1)=O)(O)=O
    InChi:InChI=1S/C10H11NO3/c1-7(11-9(12)10(13)14)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,12)(H,13,14)/t7-/m0/s1
    Definition date:2017-12-13
    Last modified:2018-12-07
    Identifier:oxo{[(1S)-1-phenylethyl]amino}acetic acid
    OH OH O O CH 3
    ECB
    Name:1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
    Formula:C23 H38 O4
    SMILES:CCCCC\C=C/C\C=C/C[C@H]=[C@H]C[C@H]=[C@H]CCCC(=O)OC(CO)CO
    InChi:InChI=1S/C23H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(26)27-22(20-24)21-25/h6-7,9-10,12-13,15-16,22,24-25H,2-5,8,11,14,17-21H2,1H3/b7-6-,10-9-,13-12-,16-15-
    Synonyms:2-arachidonoylglycerol
    Definition date:2017-12-07
    Last modified:2018-12-07
    Identifier:1,3-dihydroxypropan-2-yl (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
    Cl O O _ O N + N N H
    EEY
    Name:2-chloro-5-nitro-N-(pyridin-4-yl)benzamide
    Formula:C12 H8 Cl N3 O3
    SMILES:C(Nc1ccncc1)(c2c(ccc(c2)[N+](=O)[O-])Cl)=O
    InChi:InChI=1S/C12H8ClN3O3/c13-11-2-1-9(16(18)19)7-10(11)12(17)15-8-3-5-14-6-4-8/h1-7H,(H,14,15,17)
    Definition date:2018-01-08
    Last modified:2018-12-07
    Identifier:2-chloro-5-nitro-N-(pyridin-4-yl)benzamide
    F N N N O N F N NH
    G4W
    Name:6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile
    Formula:C20 H20 F2 N6 O
    SMILES:Fc1cc(F)cc(c1)[CH]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N
    InChi:InChI=1S/C20H20F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h7-10,12-13,18,26H,1-6H2/t18-/m0/s1
    Synonyms:GSK547
    Definition date:2018-08-28
    Last modified:2018-12-07
    Identifier:6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile
    Cl Cl N H NH 2
    HX3
    Name:(3,4-dichlorophenyl)hydrazine
    Formula:C6 H6 Cl2 N2
    SMILES:c1(Cl)c(Cl)ccc(c1)NN
    InChi:InChI=1S/C6H6Cl2N2/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H,9H2
    Definition date:2018-02-06
    Last modified:2018-12-07
    Identifier:(3,4-dichlorophenyl)hydrazine
    N H N NH 2
    HX4
    Name:5-phenyl-1H-pyrazol-3-amine
    Formula:C9 H9 N3
    SMILES:c2cccc(c1nnc(N)c1)c2
    InChi:InChI=1S/C9H9N3/c10-9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12)
    Definition date:2018-02-06
    Last modified:2018-12-07
    Identifier:5-phenyl-1H-pyrazol-3-amine
    N N S CH 3 Cl Cl
    HX5
    Name:4,6-dichloro-2-(methylsulfanyl)pyrimidine
    Formula:C5 H4 Cl2 N2 S
    SMILES:c1c(Cl)nc(nc1Cl)SC
    InChi:InChI=1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3
    Definition date:2018-02-06
    Last modified:2018-12-07
    Identifier:4,6-dichloro-2-(methylsulfanyl)pyrimidine
    O HO
    HX8
    Name:4-phenoxyphenol
    Formula:C12 H10 O2
    SMILES:c2cccc(Oc1ccc(cc1)O)c2
    InChi:InChI=1S/C12H10O2/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9,13H
    Definition date:2018-01-19
    Last modified:2018-12-07
    Identifier:4-phenoxyphenol
    CH 3 F N H 3 C O N
    IU1
    Name:1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one
    Formula:C18 H21 F N2 O
    SMILES:O=C(c1c(n(c(c1)C)c2ccc(cc2)F)C)CN3CCCC3
    InChi:InChI=1S/C18H21FN2O/c1-13-11-17(18(22)12-20-9-3-4-10-20)14(2)21(13)16-7-5-15(19)6-8-16/h5-8,11H,3-4,9-10,12H2,1-2H3
    Definition date:2018-10-19
    Last modified:2018-12-07
    Identifier:1-[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]-2-(pyrrolidin-1-yl)ethan-1-one
    N N O H 3 C N OH O N CH 3 CH 3 CH 3 N N
    K9J
    Name:1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
    Formula:C29 H38 N6 O3
    SMILES:c5c(N3Cc1c(c(nc(OC(CN(C)C)C)n1)N2CCN(CC2)C(=O)CC)CC3)c4ccccc4cc5O
    InChi:InChI=1S/C29H38N6O3/c1-5-27(37)33-12-14-34(15-13-33)28-24-10-11-35(26-17-22(36)16-21-8-6-7-9-23(21)26)19-25(24)30-29(31-28)38-20(2)18-32(3)4/h6-9,16-17,20,36H,5,10-15,18-19H2,1-4H3/t20-/m1/s1
    Definition date:2018-11-14
    Last modified:2018-12-07
    Identifier:1-{4-[2-{[(2R)-1-(dimethylamino)propan-2-yl]oxy}-7-(3-hydroxynaphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
    H 3 C O N N N N N
    K9M
    Name:1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
    Formula:C24 H27 N5 O
    SMILES:c5c(N2Cc3ncnc(N1CCN(CC1)C(=O)CC)c3CC2)c4ccccc4cc5
    InChi:InChI=1S/C24H27N5O/c1-2-23(30)27-12-14-28(15-13-27)24-20-10-11-29(16-21(20)25-17-26-24)22-9-5-7-18-6-3-4-8-19(18)22/h3-9,17H,2,10-16H2,1H3
    Definition date:2018-11-14
    Last modified:2018-12-07
    Identifier:1-{4-[7-(naphthalen-1-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl}propan-1-one
    N H O N N H N N O N O N
    KFD
    Name:N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
    Formula:C29 H29 N7 O3
    SMILES:C1CCCCN1c4cc3oc(N2CCOCC2)nc3cc4NC(=O)c5nc(ccc5)c7cc6ccnc6nc7
    InChi:InChI=1S/C29H29N7O3/c37-28(22-6-4-5-21(32-22)20-15-19-7-8-30-27(19)31-18-20)33-23-16-24-26(17-25(23)35-9-2-1-3-10-35)39-29(34-24)36-11-13-38-14-12-36/h4-8,15-18H,1-3,9-14H2,(H,30,31)(H,33,37)
    Definition date:2018-11-30
    Last modified:2018-12-07
    Identifier:N-[2-(morpholin-4-yl)-6-(piperidin-1-yl)-1,3-benzoxazol-5-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
    O P OH O HO O N N N NH 2 HO N O H 2 N N H
    KGV
    Name:3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
    Formula:C19 H24 N7 O7 P
    SMILES:c1nc2c(c(n1)N)ncn2C4C(C(NC(=O)C(Cc3ccccc3)N)C(O4)COP(O)(O)=O)O
    InChi:InChI=1S/C19H24N7O7P/c20-11(6-10-4-2-1-3-5-10)18(28)25-13-12(7-32-34(29,30)31)33-19(15(13)27)26-9-24-14-16(21)22-8-23-17(14)26/h1-5,8-9,11-13,15,19,27H,6-7,20H2,(H,25,28)(H2,21,22,23)(H2,29,30,31)/t11-,12-,13-,15-,19-/m1/s1
    Definition date:2018-12-04
    Last modified:2018-12-07
    Identifier:3'-deoxy-3'-(D-phenylalanylamino)adenosine 5'-(dihydrogen phosphate)
    F O O CH 3 F F F F F N F N CH 3 CH 3 NH N N
    L76
    Name:1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine
    Formula:C26 H28 F7 N5 O2
    SMILES:Fc1ccc(cc1)C2N(CCOC2OC(C)c3cc(cc(c3)C(F)(F)F)C(F)(F)F)Cc4c(CN(C)C)nnn4
    InChi:InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24-/m1/s1
    Definition date:2018-07-20
    Last modified:2018-12-07
    Identifier:1-(4-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-1H-1,2,3-triazol-5-yl)-N,N-dimethylmethanamine
    OH HN OH OH O
    SJ5
    Name:(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid
    Formula:C6 H11 N O4
    SMILES:C1NCC(C(O)=O)C(C1O)O
    InChi:InChI=1S/C6H11NO4/c8-4-2-7-1-3(5(4)9)6(10)11/h3-5,7-9H,1-2H2,(H,10,11)/t3-,4+,5+/m0/s1
    Definition date:2017-12-27
    Last modified:2018-12-07
    Identifier:(3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid
    CH 3 O OH O H 3 C
    VOH
    Name:Veratryl alcohol
    Formula:C9 H12 O3
    SMILES:COc1ccc(CO)cc1OC
    InChi:InChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3
    Definition date:2017-09-27
    Last modified:2018-12-07
    Identifier:(3,4-dimethoxyphenyl)methanol
    N Cl Cl O H 3 C O H 3 C H 3 C HN O H 3 C N H N
    40M
    Name:N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide
    Formula:C26 H24 Cl2 N4 O3
    SMILES:O=C(Nc1c(c(ccc1)C)Nc3ncc2cc(ccc2n3)c4c(c(cc(c4Cl)OC)OC)Cl)CC
    InChi:InChI=1S/C26H24Cl2N4O3/c1-5-21(33)30-18-8-6-7-14(2)25(18)32-26-29-13-16-11-15(9-10-17(16)31-26)22-23(27)19(34-3)12-20(35-4)24(22)28/h6-13H,5H2,1-4H3,(H,30,33)(H,29,31,32)
    Synonyms:BLU9931 bound form
    Definition date:2015-01-05
    Last modified:2018-12-05
    Identifier:N-(2-{[6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl]amino}-3-methylphenyl)propanamide
    N HN O N H OH + HN OH
    DIH
    Name:7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
    Formula:C12 H17 N4 O3
    SMILES:OC[CH]1C[NH+](C[CH]1O)Cc2c[nH]c3C(=O)NC=Nc23
    InChi:InChI=1S/C12H16N4O3/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19)/p+1/t8-,9+/m1/s1
    Definition date:2002-11-05
    Last modified:2018-12-05
    Identifier:7-[[(3~{R},4~{R})-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
    S NH 2 N S CH 3 O N O O NH N OH O H 2 C
    PCZ
    Name:(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    Formula:C14 H15 N5 O5 S2
    SMILES:O=CC(C1N=C(C(=C)\CS1)C(=O)O)NC(=O)\C(=N/OC)c2csc(n2)N
    InChi:InChI=1S/C14H15N5O5S2/c1-6-4-25-12(18-9(6)13(22)23)7(3-20)16-11(21)10(19-24-2)8-5-26-14(15)17-8/h3,5,7,12H,1,4H2,2H3,(H2,15,17)(H,16,21)(H,22,23)/b19-10-/t7-,12-/m1/s1
    Synonyms:CEFOTAXIME PRODUCT, OPEN FORM
    Definition date:2004-12-16
    Last modified:2018-12-05
    Identifier:(2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    _ O O + N N O NH 2 _ O O + N
    CB1
    Name:5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE
    Formula:C9 H8 N4 O5
    SMILES:[O-][N+](=O)c1c(cc(c(c1)[N+]([O-])=O)N2CC2)C(=O)N
    InChi:InChI=1S/C9H8N4O5/c10-9(14)5-3-7(11-1-2-11)8(13(17)18)4-6(5)12(15)16/h3-4H,1-2H2,(H2,10,14)
    Synonyms:CB1954, Tretazicar
    Definition date:2001-04-06
    Last modified:2018-12-04
    Identifier:5-aziridin-1-yl-2,4-dinitrobenzamide
    N + N _ N O H 2 N HO
    4II
    Name:(2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid
    Formula:C9 H10 N4 O2
    SMILES:N[CH](Cc1ccc(cc1)N=[N+]=[N-])C(O)=O
    InChi:InChI=1S/C9H10N4O2/c10-8(9(14)15)5-6-1-3-7(4-2-6)12-13-11/h1-4,8H,5,10H2,(H,14,15)/t8-/m0/s1
    Definition date:2018-08-19
    Last modified:2018-11-30
    Identifier:(2~{S})-2-azanyl-3-(4-azidophenyl)propanoic acid
    O O OH N N H F CH 3
    7UR
    Name:4-[4-cyano-2-[[(2R)-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid
    Formula:C24 H21 F N2 O3
    SMILES:C[CH](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(F)c3ccccc23
    InChi:InChI=1S/C24H21FN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1
    Definition date:2016-12-27
    Last modified:2018-11-30
    Identifier:4-[4-cyano-2-[[(2~{R})-2-(4-fluoranylnaphthalen-1-yl)propanoyl]amino]phenyl]butanoic acid
    Br O O OH N N H CH 3
    8VL
    Name:4-[2-[[(2R)-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid
    Formula:C24 H21 Br N2 O3
    SMILES:C[CH](C(=O)Nc1cc(ccc1CCCC(O)=O)C#N)c2ccc(Br)c3ccccc23
    InChi:InChI=1S/C24H21BrN2O3/c1-15(18-11-12-21(25)20-7-3-2-6-19(18)20)24(30)27-22-13-16(14-26)9-10-17(22)5-4-8-23(28)29/h2-3,6-7,9-13,15H,4-5,8H2,1H3,(H,27,30)(H,28,29)/t15-/m1/s1
    Definition date:2017-10-04
    Last modified:2018-11-30
    Identifier:4-[2-[[(2~{R})-2-(4-bromanylnaphthalen-1-yl)propanoyl]amino]-4-cyano-phenyl]butanoic acid
    OH O O O OH NH 2
    91L
    Name:1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
    Formula:C15 H9 N O5
    SMILES:c1(cc(c3c(c1N)C(c2c(cccc2)C3=O)=O)O)C(O)=O
    InChi:InChI=1S/C15H9NO5/c16-12-8(15(20)21)5-9(17)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5,17H,16H2,(H,20,21)
    Definition date:2017-11-30
    Last modified:2018-11-30
    Identifier:1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
    Cl O O O O OH HN CH 3 H 3 C
    91O
    Name:5-chloro-2-methoxy-4[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]aminobenzoic acid
    Formula:C18 H16 Cl N O5
    SMILES:c1(cc(c(cc1C(O)=O)Cl)N[C@H]=CC(c2ccc(cc2)OC)=O)OC
    InChi:InChI=1S/C18H16ClNO5/c1-24-12-5-3-11(4-6-12)16(21)7-8-20-15-10-17(25-2)13(18(22)23)9-14(15)19/h3-10,20H,1-2H3,(H,22,23)/b8-7-
    Definition date:2017-11-30
    Last modified:2018-11-30
    Identifier:5-chloro-2-methoxy-4-{[(1Z)-3-(4-methoxyphenyl)-3-oxoprop-1-en-1-yl]amino}benzoic acid
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