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    O O O N N N F F F HN N H
    L5H
    Name:~{N}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]benzamide
    Formula:C19 H12 F3 N5 O3
    SMILES:FC(F)(F)c1cc2NC(=O)C(=O)N(NC(=O)c3ccccc3)c2cc1n4ccnc4
    InChi:InChI=1S/C19H12F3N5O3/c20-19(21,22)12-8-13-15(9-14(12)26-7-6-23-10-26)27(18(30)17(29)24-13)25-16(28)11-4-2-1-3-5-11/h1-10H,(H,24,29)(H,25,28)
    Definition date:2019-07-22
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:~{N}-[7-imidazol-1-yl-2,3-bis(oxidanylidene)-6-(trifluoromethyl)-4~{H}-quinoxalin-1-yl]benzamide
    F F N N H F O OH CH 3 CH 3
    LRQ
    Name:Bridged tetracyclic indole
    Formula:C27 H27 F3 N2 O2
    SMILES:CC(C)(F)CN1[CH]2CCC[C]1(c3[nH]c4ccccc4c3C2)c5c(F)cc(C=CC(O)=O)cc5F
    InChi:InChI=1S/C27H27F3N2O2/c1-26(2,30)15-32-17-6-5-11-27(32,25-19(14-17)18-7-3-4-8-22(18)31-25)24-20(28)12-16(13-21(24)29)9-10-23(33)34/h3-4,7-10,12-13,17,31H,5-6,11,14-15H2,1-2H3,(H,33,34)/b10-9+/t17-,27-/m1/s1
    Definition date:2019-09-03
    Last modified:2019-10-25
    Release date:2019-10-30
    NH 2 NH O CH 3 O OH
    LV8
    Name:(2~{S})-3-acetamido-2-azanyl-propanoic acid
    Formula:C5 H10 N2 O3
    SMILES:CC(=O)NC[CH](N)C(O)=O
    InChi:InChI=1S/C5H10N2O3/c1-3(8)7-2-4(6)5(9)10/h4H,2,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
    Definition date:2019-09-13
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:(2~{S})-3-acetamido-2-azanyl-propanoic acid
    F O OH F N F H 3 C N H CH 3 H 3 C CH 3
    LVH
    Name:(~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
    Formula:C26 H27 F3 N2 O2
    SMILES:C[CH]1Cc2c([nH]c3ccccc23)[C](C)(N1CC(C)(C)F)c4c(F)cc(C=CC(O)=O)cc4F
    InChi:InChI=1S/C26H27F3N2O2/c1-15-11-18-17-7-5-6-8-21(17)30-24(18)26(4,31(15)14-25(2,3)29)23-19(27)12-16(13-20(23)28)9-10-22(32)33/h5-10,12-13,15,30H,11,14H2,1-4H3,(H,32,33)/b10-9+/t15-,26-/m1/s1
    Definition date:2019-09-16
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:(~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
    O O NH 2 HN N N CH 3 H 3 C
    MM8
    Name:2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
    Formula:C24 H26 N4 O2
    SMILES:COc1cc(ccc1C(N)=O)c2cncc(c2C)c3ccc(cc3)N4CCNCC4
    InChi:InChI=1S/C24H26N4O2/c1-16-21(17-3-6-19(7-4-17)28-11-9-26-10-12-28)14-27-15-22(16)18-5-8-20(24(25)29)23(13-18)30-2/h3-8,13-15,26H,9-12H2,1-2H3,(H2,25,29)
    Definition date:2019-10-18
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:2-methoxy-4-[4-methyl-5-(4-piperazin-1-ylphenyl)pyridin-3-yl]benzamide
    O O OH OH NH 2 HN NH N
    O77
    Name:N-[(3S)-3-amino-3-carboxypropyl]-L-histidine
    Formula:C10 H16 N4 O4
    SMILES:C(O)(C(NCCC(C(=O)O)N)Cc1cncn1)=O
    InChi:InChI=1S/C10H16N4O4/c11-7(9(15)16)1-2-13-8(10(17)18)3-6-4-12-5-14-6/h4-5,7-8,13H,1-3,11H2,(H,12,14)(H,15,16)(H,17,18)/t7-,8-/m0/s1
    Definition date:2019-06-17
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:N-[(3S)-3-amino-3-carboxypropyl]-L-histidine
    HO O HO O O O OH NH N N H N H HO
    O7J
    Name:N-[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]-L-glutamic acid
    Formula:C15 H22 N4 O8
    SMILES:OC(C(CCNC(C(O)=O)Cc1cncn1)NC(CCC(O)=O)C(O)=O)=O
    InChi:InChI=1S/C15H22N4O8/c20-12(21)2-1-9(13(22)23)19-10(14(24)25)3-4-17-11(15(26)27)5-8-6-16-7-18-8/h6-7,9-11,17,19H,1-5H2,(H,16,18)(H,20,21)(H,22,23)(H,24,25)(H,26,27)/t9-,10-,11-/m0/s1
    Definition date:2019-06-17
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:N-[(1S)-1-carboxy-3-{[(1S)-1-carboxy-2-(1H-imidazol-5-yl)ethyl]amino}propyl]-L-glutamic acid
    N N N F H 3 C
    Q0J
    Name:2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
    Formula:C19 H14 F N3
    SMILES:c1c(C)ccc2n1nc(c2c3ccncc3)c4ccc(cc4)F
    InChi:InChI=1S/C19H14FN3/c1-13-2-7-17-18(14-8-10-21-11-9-14)19(22-23(17)12-13)15-3-5-16(20)6-4-15/h2-12H,1H3
    Definition date:2019-09-01
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:2-(4-fluorophenyl)-6-methyl-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
    B O OH OH
    QFP
    Name:2-hydroxyethyl hydrogen phenylboronate
    Formula:C8 H11 B O3
    SMILES:c1ccccc1B(OCCO)O
    InChi:InChI=1S/C8H11BO3/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5,10-11H,6-7H2
    Definition date:2019-10-23
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:2-hydroxyethyl hydrogen phenylboronate
    B O OH OH O CH 3
    QFS
    Name:2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate
    Formula:C9 H13 B O4
    SMILES:c1ccc(cc1B(OCCO)O)OC
    InChi:InChI=1S/C9H13BO4/c1-13-9-4-2-3-8(7-9)10(12)14-6-5-11/h2-4,7,11-12H,5-6H2,1H3
    Definition date:2019-10-23
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:2-hydroxyethyl hydrogen (3-methoxyphenyl)boronate
    O S HO O O N H N H O OH H 3 C CH 3 S CH 3 O
    TJ7
    Name:(2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    Formula:C16 H20 N2 O7 S2
    SMILES:O=CC(OC)(C1SC(C(N1)C(O)=O)(C)C)NC(=O)C(C(O)=O)c2cscc2
    InChi:InChI=1S/C16H20N2O7S2/c1-15(2)10(13(23)24)17-14(27-15)16(7-19,25-3)18-11(20)9(12(21)22)8-4-5-26-6-8/h4-7,9-10,14,17H,1-3H3,(H,18,20)(H,21,22)(H,23,24)/t9-,10+,14-,16+/m1/s1
    Synonyms:temocillin
    Definition date:2019-10-15
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:(2R,4S)-2-[(1S)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-1-methoxy-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    P OH O
    XIS
    Name:4-diphenylphosphanylbenzoic acid
    Formula:C19 H15 O2 P
    SMILES:OC(=O)c1ccc(cc1)P(c2ccccc2)c3ccccc3
    InChi:InChI=1S/C19H15O2P/c20-19(21)15-11-13-18(14-12-15)22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H,(H,20,21)
    Definition date:2019-10-17
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:4-diphenylphosphanylbenzoic acid
    N H S O HO O N H HO O CH 3 H 3 C S O
    XT8
    Name:(2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    Formula:C15 H18 N2 O6 S2
    SMILES:C(=O)C(NC(C(c1cscc1)C(O)=O)=O)C2SC(C(C(O)=O)N2)(C)C
    InChi:InChI=1S/C15H18N2O6S2/c1-15(2)10(14(22)23)17-12(25-15)8(5-18)16-11(19)9(13(20)21)7-3-4-24-6-7/h3-6,8-10,12,17H,1-2H3,(H,16,19)(H,20,21)(H,22,23)/t8-,9-,10+,12-/m1/s1
    Synonyms:ticarcillin
    Definition date:2019-10-15
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:(2R,4S)-2-[(1R)-1-{[(2R)-2-carboxy-2-(thiophen-3-yl)acetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    HO OH O HO HO HO
    Z9N
    Name:alpha-D-fructofuranose
    Formula:C6 H12 O6
    SMILES:OC1C(O)C(OC1(O)CO)CO
    InChi:InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6+/m1/s1
    Definition date:2012-12-17
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:alpha-D-fructofuranose
    N H 3 C N H NH O O O O O O S CH 3 CH 3
    ZLK
    Name:zafirlukast
    Formula:C31 H33 N3 O6 S
    SMILES:COc1cc(ccc1Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)cc23)C(=O)N[S](=O)(=O)c5ccccc5C
    InChi:InChI=1S/C31H33N3O6S/c1-20-8-4-7-11-29(20)41(37,38)33-30(35)22-13-12-21(28(17-22)39-3)16-23-19-34(2)27-15-14-24(18-26(23)27)32-31(36)40-25-9-5-6-10-25/h4,7-8,11-15,17-19,25H,5-6,9-10,16H2,1-3H3,(H,32,36)(H,33,35)
    Definition date:2019-06-12
    Last modified:2019-10-25
    Release date:2019-10-30
    Identifier:cyclopentyl ~{N}-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methyl-indol-5-yl]carbamate
    O O O O O O O O O O O P O O O O O O O O O W Zr W W W W W W W W O W W W W W W W W P O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O HO O O O
    ZRW
    Name:W-Zr-cluster
    Formula:H2 O61 P2 W17 Zr
    SMILES:O.O=[W]123O[Zr]45O[W]67(O[PH]89O[W]%10%11(=O)(O4)O[W]%12(=O)(O5)O[W]%13%14(=O)O[W]%15%16(=O)(O[PH]%17%18O[W]%19%20%21(=O)O[W]%22(=O)(O1)O[W]%23(=O)(O8)(O6)O[W](=O)(O7)(O[W]%24(=O)(O[W](=O)(O%23)(O%19)O[W]%25%26(=O)(O%24)O[W]%27(=O)(O%13)(O%15)O[W](=O)(O%20)(O[W](=O)(O%17)(O%14)(O[W](=O)(O9)(O2)(O%12)O%22)O%21)(O%25)[O]%18%26%27)O%16)O%10)O%11)O3
    InChi:InChI=1S/2HO4P.H2O.52O.17W.Zr/c2*1-5(2,3)4
    Definition date:2018-10-22
    Last modified:2019-10-25
    Release date:2019-10-30
    OH OH O O H 2 N O O O N
    LOU
    Name:3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine
    Formula:C13 H16 N2 O7
    SMILES:C(CN1C(C2C(C1=O)C3OC2(CC(N)C(=O)O)CC3)=O)(=O)O
    InChi:InChI=1S/C13H16N2O7/c14-5(12(20)21)3-13-2-1-6(22-13)8-9(13)11(19)15(10(8)18)4-7(16)17/h5-6,8-9H,1-4,14H2,(H,16,17)(H,20,21)/t5-,6-,8+,9-,13-/m0/s1
    Definition date:2019-07-01
    Last modified:2019-10-24
    Release date:2019-10-16
    Identifier:3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine
    HO OH O O N HN
    3JI
    Name:3-(4-PHENYLBUTANAMIDO)PYRIDINE-4-CARBOXYLIC ACID
    Formula:C16 H17 N2 O4
    SMILES:OC(=O)c1cc[n](O)cc1NC(=O)CCCc2ccccc2
    InChi:InChI=1S/C16H17N2O4/c19-15(8-4-7-12-5-2-1-3-6-12)17-14-11-18(22)10-9-13(14)16(20)21/h1-3,5-6,9-11,22H,4,7-8H2,(H,17,19)(H,20,21)
    Definition date:2015-11-27
    Last modified:2019-10-21
    Release date:2016-01-27
    Identifier:1-oxidanyl-3-(4-phenylbutanoylamino)pyridine-4-carboxylic acid
    O _ B OH HO
    6M4
    Name:1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium
    Formula:C7 H8 B O3
    SMILES:c1c2c(ccc1)[B+](OC2)(O)O
    InChi:InChI=1S/C7H8BO3/c9-8(10)7-4-2-1-3-6(7)5-11-8/h1-4,9-10H,5H2/q-1
    Definition date:2016-05-04
    Last modified:2019-10-18
    Release date:2016-10-19
    Identifier:1,1-dihydroxy-1,3-dihydro-2,1-benzoxaborol-1-ium
    CH 3 OH O HN OH O O N
    8HO
    Name:2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid
    Formula:C19 H16 N2 O5
    SMILES:Cc1nc(C(=O)NCC(O)=O)c(O)c2ccc(Oc3ccccc3)cc12
    InChi:InChI=1S/C19H16N2O5/c1-11-15-9-13(26-12-5-3-2-4-6-12)7-8-14(15)18(24)17(21-11)19(25)20-10-16(22)23/h2-9,24H,10H2,1H3,(H,20,25)(H,22,23)
    Definition date:2017-07-11
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:2-[(1-methyl-4-oxidanyl-7-phenoxy-isoquinolin-3-yl)carbonylamino]ethanoic acid
    OH OH OH H 3 C H 3 C H 3 C
    9GF
    Name:2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
    Formula:C24 H40 O3
    SMILES:CCCCCCC(C)(C)c2ccc(C1C(CCC(C1)O)CCCO)c(c2)O
    InChi:InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
    Definition date:2018-04-20
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
    Cl O HN N N H CH 3
    9GL
    Name:5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide
    Formula:C24 H28 Cl N3 O
    SMILES:CCc1c(nc2ccc(cc12)Cl)C(NCCc3ccc(cc3)N4CCCCC4)=O
    InChi:InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
    Definition date:2018-04-20
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:5-chloro-3-ethyl-N-{2-[4-(piperidin-1-yl)phenyl]ethyl}-1H-indole-2-carboxamide
    OH O O N N H N
    9SF
    Name:3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
    Formula:C16 H19 N3 O3
    SMILES:N=2c1ccccc1C(N(C=2)CC(=O)CC3NCCCC3O)=O
    InChi:InChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2/t14-,15+/m1/s1
    Definition date:2018-07-17
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one
    CH 3 O O O N CH 3
    AH3
    Name:7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    Formula:C13 H17 N O3
    SMILES:c2c1c(CCN(C1)C=O)cc(c2OCC)OC
    InChi:InChI=1S/C13H17NO3/c1-3-17-13-7-11-8-14(9-15)5-4-10(11)6-12(13)16-2/h6-7,9H,3-5,8H2,1-2H3
    Definition date:2018-11-01
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:7-ethoxy-6-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    CH 3 O O O N CH 3
    AH6
    Name:6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    Formula:C13 H17 N O3
    SMILES:c2c1CN(CCc1cc(c2OC)OCC)C=O
    InChi:InChI=1S/C13H17NO3/c1-3-17-13-6-10-4-5-14(9-15)8-11(10)7-12(13)16-2/h6-7,9H,3-5,8H2,1-2H3
    Definition date:2018-11-01
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:6-ethoxy-7-methoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde