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    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
    CH 3 CH 3 N O O O
    AH9
    Name:6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    Formula:C12 H15 N O3
    SMILES:c2c1CN(CCc1cc(c2OC)OC)C=O
    InChi:InChI=1S/C12H15NO3/c1-15-11-5-9-3-4-13(8-14)7-10(9)6-12(11)16-2/h5-6,8H,3-4,7H2,1-2H3
    Definition date:2018-11-02
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    O O O N H N H 3 C CH 3
    AJL
    Name:(1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    Formula:C21 H22 N2 O3
    SMILES:c2c1C(N(CCc1cc(c2OC)OC)C=O)Cc3cnc4ccccc34
    InChi:InChI=1S/C21H22N2O3/c1-25-20-10-14-7-8-23(13-24)19(17(14)11-21(20)26-2)9-15-12-22-18-6-4-3-5-16(15)18/h3-6,10-13,19,22H,7-9H2,1-2H3/t19-/m0/s1
    Definition date:2018-11-03
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(1S)-1-[(1H-indol-3-yl)methyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    O O O N H N CH 3 CH 3
    AJX
    Name:(1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    Formula:C23 H26 N2 O3
    SMILES:c4c3C(CCCc1cnc2ccccc12)N(CCc3cc(c4OC)OC)C=O
    InChi:InChI=1S/C23H26N2O3/c1-27-22-12-16-10-11-25(15-26)21(19(16)13-23(22)28-2)9-5-6-17-14-24-20-8-4-3-7-18(17)20/h3-4,7-8,12-15,21,24H,5-6,9-11H2,1-2H3/t21-/m0/s1
    Definition date:2018-11-08
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(1S)-1-[3-(1H-indol-3-yl)propyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    O O O F N H N CH 3 CH 3
    AK0
    Name:(1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    Formula:C22 H23 F N2 O3
    SMILES:c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3ccc(c4)F
    InChi:InChI=1S/C22H23FN2O3/c1-27-21-9-14-7-8-25(13-26)20(18(14)11-22(21)28-2)6-3-15-12-24-19-10-16(23)4-5-17(15)19/h4-5,9-13,20,24H,3,6-8H2,1-2H3/t20-/m0/s1
    Definition date:2018-11-08
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(1S)-1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    O O O H 3 C N H N CH 3 CH 3
    AKO
    Name:(1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    Formula:C23 H26 N2 O3
    SMILES:c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3ccc(c4)C
    InChi:InChI=1S/C23H26N2O3/c1-15-4-6-18-17(13-24-20(18)10-15)5-7-21-19-12-23(28-3)22(27-2)11-16(19)8-9-25(21)14-26/h4,6,10-14,21,24H,5,7-9H2,1-3H3/t21-/m0/s1
    Definition date:2018-11-08
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(1S)-6,7-dimethoxy-1-[2-(6-methyl-1H-indol-3-yl)ethyl]-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    O O O N H N CH 3 CH 3
    AKU
    Name:(1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    Formula:C22 H24 N2 O3
    SMILES:c2c1C(N(CCc1cc(c2OC)OC)C=O)CCc3cnc4c3cccc4
    InChi:InChI=1S/C22H24N2O3/c1-26-21-11-15-9-10-24(14-25)20(18(15)12-22(21)27-2)8-7-16-13-23-19-6-4-3-5-17(16)19/h3-6,11-14,20,23H,7-10H2,1-2H3/t20-/m0/s1
    Definition date:2018-11-08
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(1S)-1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-carbaldehyde
    NH N O H 2 N O CH 3 H 3 C O N H H 2 C N N
    AWX
    Name:N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
    Formula:C25 H22 N6 O3
    SMILES:C=[C@H]C(=O)NCc1ccc(cc1)n4c(c2oc3c(c2C)cc(C)cc3)c5c(n4)C(NN=C5N)=O
    InChi:InChI=1S/C25H22N6O3/c1-4-19(32)27-12-15-6-8-16(9-7-15)31-22(20-21(30-31)25(33)29-28-24(20)26)23-14(3)17-11-13(2)5-10-18(17)34-23/h4-11H,1,12H2,2-3H3,(H2,26,28)(H,27,32)(H,29,33)
    Definition date:2018-12-04
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:N-({4-[4-amino-3-(3,5-dimethyl-1-benzofuran-2-yl)-7-oxo-6,7-dihydro-2H-pyrazolo[3,4-d]pyridazin-2-yl]phenyl}methyl)prop-2-enamide
    O O N N HN NH 2 CH 3 H 3 C N
    AXU
    Name:4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one
    Formula:C21 H17 N5 O2
    SMILES:Cc1ccc2oc(c(C)c2c1)c3n(nc4C(=O)NN=C(N)c34)c5ccccc5
    InChi:InChI=1S/C21H17N5O2/c1-11-8-9-15-14(10-11)12(2)19(28-15)18-16-17(21(27)24-23-20(16)22)25-26(18)13-6-4-3-5-7-13/h3-10H,1-2H3,(H2,22,23)(H,24,27)
    Definition date:2018-12-05
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:4-azanyl-3-(3,5-dimethyl-1-benzofuran-2-yl)-2-phenyl-6~{H}-pyrazolo[3,4-d]pyridazin-7-one
    H 2 N N H N N N O O O CH 3
    BA0
    Name:(7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
    Formula:C27 H31 N5 O3
    SMILES:C1CN(C(CC)=O)CCC1C3CCNc2c(C(N)=O)c(nn23)c4ccc(cc4)Oc5ccccc5
    InChi:InChI=1S/C27H31N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h3-11,18,22,29H,2,12-17H2,1H3,(H2,28,34)/t22-/m0/s1
    Synonyms:Zanubrutinib
    Definition date:2019-01-30
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:(7S)-2-(4-phenoxyphenyl)-7-(1-propanoylpiperidin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide
    Cl S O N O O N CH 3 CH 3 CH 3 + N N
    BI7
    Name:3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
    Formula:C22 H28 Cl N4 O3 S
    SMILES:C[N+](C)(C)CCCN1C(=O)[CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4cc(on4)c5sc(Cl)cc5
    InChi:InChI=1S/C22H28ClN4O3S/c1-27(2,3)11-5-10-26-21(28)18-14-6-4-9-25(14)20(19(18)22(26)29)13-12-15(30-24-13)16-7-8-17(23)31-16/h7-8,12,14,18-20H,4-6,9-11H2,1-3H3/q+1/t14-,18-,19-,20-/m0/s1
    Definition date:2008-08-28
    Last modified:2019-10-18
    Identifier:3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-oxazol-3-yl]-1,3-bis(oxidanylidene)-4,6,7,8,8~{a},8~{b}-hexahydro-3~{a}~{H}-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium
    CH 3 + N N H H 3 C + N
    BO6
    Name:3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole
    Formula:C28 H25 N3
    SMILES:C[n+]1ccc(C=Cc2ccc3[nH]c4ccc(C=Cc5cc[n+](C)cc5)cc4c3c2)cc1
    InChi:InChI=1S/C28H24N3/c1-30-15-11-21(12-16-30)3-5-23-7-9-27-25(19-23)26-20-24(8-10-28(26)29-27)6-4-22-13-17-31(2)18-14-22/h3-20H,1-2H3/q+1/p+1
    Definition date:2019-02-25
    Last modified:2019-10-18
    Release date:2019-10-23
    Identifier:3,6-bis[(~{E})-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9~{H}-carbazole
    OH OH HO _ B N N N O S O
    BVZ
    Name:[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide
    Formula:C21 H25 B N3 O5 S
    SMILES:O[B-](O)(O)c1ccccc1CN2CCCN(CC2)[S](=O)(=O)c3cccc4cnccc34
    InChi:InChI=1S/C21H25BN3O5S/c26-22(27,28)20-7-2-1-5-18(20)16-24-11-4-12-25(14-13-24)31(29,30)21-8-3-6-17-15-23-10-9-19(17)21/h1-3,5-10,15,26-28H,4,11-14,16H2/q-1
    Definition date:2017-10-19
    Last modified:2019-10-18
    Release date:2018-10-31
    Identifier:[2-[(4-isoquinolin-5-ylsulfonyl-1,4-diazepan-1-yl)methyl]phenyl]-tris(oxidanyl)boranuide