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B0I

B0I
Name:	3,3'-dimethyl-1,1'-biphenyl
Formula:	C14 H14
SMILES:	Cc2cc(c1cc(C)ccc1)ccc2
InChi:	InChI=1S/C14H14/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14/h3-10H,1-2H3
Definition date:	2017-08-15
Last modified:	2018-02-16
Release date:	2018-02-21
Identifier:	3,3'-dimethyl-1,1'-biphenyl

UWX

UWX
Name:	~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide
Formula:	C24 H30 N4 O5 S
SMILES:	CC(C)Cc1ccc(cc1)[S](=O)(=O)Nc2cc3N(C)C(=O)C(=O)N(C)c3cc2N4CCOCC4
InChi:	InChI=1S/C24H30N4O5S/c1-16(2)13-17-5-7-18(8-6-17)34(31,32)25-19-14-21-22(27(4)24(30)23(29)26(21)3)15-20(19)28-9-11-33-12-10-28/h5-8,14-16,25H,9-13H2,1-4H3
Definition date:	2017-01-18
Last modified:	2018-02-09
Release date:	2018-02-14
Identifier:	~{N}-[1,4-dimethyl-7-morpholin-4-yl-2,3-bis(oxidanylidene)quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide

9DE

9DE
Name:	4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide
Formula:	C12 H11 Br N2 O4 S2
SMILES:	N[S](=O)(=O)c1ccc(N[S](=O)(=O)c2ccc(Br)cc2)cc1
InChi:	InChI=1S/C12H11BrN2O4S2/c13-9-1-5-12(6-2-9)21(18,19)15-10-3-7-11(8-4-10)20(14,16)17/h1-8,15H,(H2,14,16,17)
Definition date:	2017-05-10
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-[(4-bromophenyl)sulfonylamino]benzenesulfonamide

9E4

9E4
Name:	4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide
Formula:	C20 H22 N6 O3
SMILES:	n1ncn(C(C)C)c1c3cccc(NC(=O)c2cc(C(=O)NC)ccc2OC)n3
InChi:	InChI=1S/C20H22N6O3/c1-12(2)26-11-22-25-18(26)15-6-5-7-17(23-15)24-20(28)14-10-13(19(27)21-3)8-9-16(14)29-4/h5-12H,1-4H3,(H,21,27)(H,23,24,28)
Definition date:	2017-04-21
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-methoxy-N~1~-methyl-N~3~-{6-[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]pyridin-2-yl}benzene-1,3-dicarboxamide

9HK

9HK
Name:	4-[(4-nitrophenyl)methyl]benzenesulfonamide
Formula:	C13 H12 N2 O4 S
SMILES:	N[S](=O)(=O)c1ccc(Cc2ccc(cc2)[N+]([O-])=O)cc1
InChi:	InChI=1S/C13H12N2O4S/c14-20(18,19)13-7-3-11(4-8-13)9-10-1-5-12(6-2-10)15(16)17/h1-8H,9H2,(H2,14,18,19)
Definition date:	2017-05-20
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	4-[(4-nitrophenyl)methyl]benzenesulfonamide

DYV

DYV
Name:	1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline
Formula:	C29 H24 Cl N5 O6
SMILES:	c1ccc2c(c1)n5c(N(C2=O)Cc3c(cc(cc3)C(=O)N4CCCC4C(O)=O)Cl)nnc5c6cccc(c6O)OC
InChi:	InChI=1S/C29H24ClN5O6/c1-41-23-10-4-7-19(24(23)36)25-31-32-29-34(27(38)18-6-2-3-8-21(18)35(25)29)15-17-12-11-16(14-20(17)30)26(37)33-13-5-9-22(33)28(39)40/h2-4,6-8,10-12,14,22,36H,5,9,13,15H2,1H3,(H,39,40)/t22-/m0/s1
Definition date:	2017-11-17
Last modified:	2018-01-12
Release date:	2018-01-17
Identifier:	1-(3-chloro-4-{[1-(2-hydroxy-3-methoxyphenyl)-5-oxo[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl]methyl}benzene-1-carbonyl)-L-proline

7Y9

7Y9
Name:	4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide
Formula:	C30 H30 N2 O3
SMILES:	CC(C)(c1ccc(O)cc1)c2ccc(OCc3cccc(COc4ccc(cc4)C(N)=N)c3)cc2
InChi:	InChI=1S/C30H30N2O3/c1-30(2,24-8-12-26(33)13-9-24)25-10-16-28(17-11-25)35-20-22-5-3-4-21(18-22)19-34-27-14-6-23(7-15-27)29(31)32/h3-18,33H,19-20H2,1-2H3,(H3,31,32)
Definition date:	2017-02-09
Last modified:	2017-12-29
Release date:	2018-01-03
Identifier:	4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide

GY6

GY6
Name:	2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide
Formula:	C24 H22 Cl2 N4 O4
SMILES:	C2(=NC(C(=O)NCCc1ccccc1)=C(O)C(N2)=O)C3CCCN3C(c4c(cccc4Cl)Cl)=O
InChi:	InChI=1S/C24H22Cl2N4O4/c25-15-8-4-9-16(26)18(15)24(34)30-13-5-10-17(30)21-28-19(20(31)23(33)29-21)22(32)27-12-11-14-6-2-1-3-7-14/h1-4,6-9,17,31H,5,10-13H2,(H,27,32)(H,28,29,33)/t17-/m0/s1
Definition date:	2017-06-12
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	2-[(2S)-1-(2,6-dichlorobenzene-1-carbonyl)pyrrolidin-2-yl]-5-hydroxy-6-oxo-N-(2-phenylethyl)-1,6-dihydropyrimidine-4-carboxamide

7Z0

7Z0
Name:	N-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1H-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide
Formula:	C21 H13 Br F2 N4 O3 S
SMILES:	COc1n[nH]c2ncc(cc12)C#Cc3c(F)ccc(N[S](=O)(=O)c4cccc(Br)c4)c3F
InChi:	InChI=1S/C21H13BrF2N4O3S/c1-31-21-16-9-12(11-25-20(16)26-27-21)5-6-15-17(23)7-8-18(19(15)24)28-32(29,30)14-4-2-3-13(22)10-14/h2-4,7-11,28H,1H3,(H,25,26,27)
Definition date:	2017-02-21
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	~{N}-[2,4-bis(fluoranyl)-3-[2-(3-methoxy-1~{H}-pyrazolo[3,4-b]pyridin-5-yl)ethynyl]phenyl]-3-bromanyl-benzenesulfonamide

8GE

8GE
Name:	4-(1~{H}-indol-2-yl)benzenesulfonamide
Formula:	C14 H12 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2[nH]c3ccccc3c2
InChi:	InChI=1S/C14H12N2O2S/c15-19(17,18)12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9,16H,(H2,15,17,18)
Definition date:	2017-02-06
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-(1~{H}-indol-2-yl)benzenesulfonamide

8GH

8GH
Name:	4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
Formula:	C16 H15 N3 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2ccc(Cn3cccn3)cc2
InChi:	InChI=1S/C16H15N3O2S/c17-22(20,21)16-8-6-15(7-9-16)14-4-2-13(3-5-14)12-19-11-1-10-18-19/h1-11H,12H2,(H2,17,20,21)
Definition date:	2017-02-06
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide

8HE

8HE
Name:	4-(4-cyanophenyl)benzenesulfonamide
Formula:	C13 H10 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2ccc(cc2)C#N
InChi:	InChI=1S/C13H10N2O2S/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)18(15,16)17/h1-8H,(H2,15,16,17)
Definition date:	2017-02-07
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-(4-cyanophenyl)benzenesulfonamide

8HK

8HK
Name:	4-pyridin-3-ylbenzenesulfonamide
Formula:	C11 H10 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)c2cccnc2
InChi:	InChI=1S/C11H10N2O2S/c12-16(14,15)11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H,(H2,12,14,15)
Definition date:	2017-02-07
Last modified:	2017-12-22
Release date:	2017-12-27
Identifier:	4-pyridin-3-ylbenzenesulfonamide

7KT

7KT
Name:	~{N},2,4,6-tetramethylbenzenesulfonamide
Formula:	C10 H15 N O2 S
SMILES:	CN[S](=O)(=O)c1c(C)cc(C)cc1C
InChi:	InChI=1S/C10H15NO2S/c1-7-5-8(2)10(9(3)6-7)14(12,13)11-4/h5-6,11H,1-4H3
Definition date:	2016-11-07
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	~{N},2,4,6-tetramethylbenzenesulfonamide

856

856
Name:	O 4-(2-hydroxyethyl) O 1-methyl benzene-1,4-dicarboxylate
Formula:	C11 H12 O5
SMILES:	COC(=O)c1ccc(cc1)C(=O)OCCO
InChi:	InChI=1S/C11H12O5/c1-15-10(13)8-2-4-9(5-3-8)11(14)16-7-6-12/h2-5,12H,6-7H2,1H3
Definition date:	2017-04-19
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	~{O}4-(2-hydroxyethyl) ~{O}1-methyl benzene-1,4-dicarboxylate

8Q6

8Q6
Name:	dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate
Formula:	C20 H21 N O6
SMILES:	CCOc1ccc(cc1Nc2cc(cc(c2)C(=O)OC)C(=O)OC)C(C)=O
InChi:	InChI=1S/C20H21NO6/c1-5-27-18-7-6-13(12(2)22)11-17(18)21-16-9-14(19(23)25-3)8-15(10-16)20(24)26-4/h6-11,21H,5H2,1-4H3
Definition date:	2016-12-09
Last modified:	2017-12-15
Release date:	2017-12-20
Identifier:	dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate

BVE

BVE
Name:	4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide
Formula:	C31 H27 N2 O2 S
SMILES:	N[S](=O)(=O)c1ccc(CC[n+]2c(cc(cc2c3ccccc3)c4ccccc4)c5ccccc5)cc1
InChi:	InChI=1S/C31H27N2O2S/c32-36(34,35)29-18-16-24(17-19-29)20-21-33-30(26-12-6-2-7-13-26)22-28(25-10-4-1-5-11-25)23-31(33)27-14-8-3-9-15-27/h1-19,22-23H,20-21H2,(H2,32,34,35)/q+1
Definition date:	2017-10-16
Last modified:	2017-12-08
Release date:	2017-12-13
Identifier:	4-[2-(2,4,6-triphenylpyridin-1-ium-1-yl)ethyl]benzenesulfonamide

8V8

8V8
Name:	4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide
Formula:	C10 H10 N2 O3 S
SMILES:	Cc1oc(cn1)c2ccc(cc2)[S](N)(=O)=O
InChi:	InChI=1S/C10H10N2O3S/c1-7-12-6-10(15-7)8-2-4-9(5-3-8)16(11,13)14/h2-6H,1H3,(H2,11,13,14)
Definition date:	2017-03-10
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	4-(2-methyl-1,3-oxazol-5-yl)benzenesulfonamide

6FF

6FF
Name:	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide
Formula:	C18 H19 F N4 O5 S
SMILES:	c3(O)cc(c(C1=NNC(N1c2ccccc2F)=O)cc3S(=O)(=O)N(C)CCC)O
InChi:	InChI=1S/C18H19FN4O5S/c1-3-8-22(2)29(27,28)16-9-11(14(24)10-15(16)25)17-20-21-18(26)23(17)13-7-5-4-6-12(13)19/h4-7,9-10,24-25H,3,8H2,1-2H3,(H,21,26)
Definition date:	2016-03-30
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-propylbenzene-1-sulfonamide

6GV

6GV
Name:	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide
Formula:	C18 H19 F N4 O5 S
SMILES:	c3(O)cc(c(C1=NNC(N1c2ccccc2F)=O)cc3S(=O)(=O)N(C)C(C)C)O
InChi:	InChI=1S/C18H19FN4O5S/c1-10(2)22(3)29(27,28)16-8-11(14(24)9-15(16)25)17-20-21-18(26)23(17)13-7-5-4-6-12(13)19/h4-10,24-25H,1-3H3,(H,21,26)
Definition date:	2016-04-07
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	5-[4-(2-fluorophenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2,4-dihydroxy-N-methyl-N-(propan-2-yl)benzene-1-sulfonamide

7PV

7PV
Name:	4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide
Formula:	C13 H14 N6 O3 S2
SMILES:	c3(CCSc2nc1c(C(NC(N)=N1)=O)n2)ccc(cc3)S(N)(=O)=O
InChi:	InChI=1S/C13H14N6O3S2/c14-12-17-10-9(11(20)19-12)16-13(18-10)23-6-5-7-1-3-8(4-2-7)24(15,21)22/h1-4H,5-6H2,(H2,15,21,22)(H4,14,16,17,18,19,20)
Definition date:	2016-11-28
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	4-{2-[(2-amino-6-oxo-6,9-dihydro-1H-purin-8-yl)sulfanyl]ethyl}benzene-1-sulfonamide

8DM

8DM
Name:	N-(4-aminobenzene-1-carbonyl)-L-glutamic acid
Formula:	C12 H14 N2 O5
SMILES:	c1(ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)N
InChi:	InChI=1S/C12H14N2O5/c13-8-3-1-7(2-4-8)11(17)14-9(12(18)19)5-6-10(15)16/h1-4,9H,5-6,13H2,(H,14,17)(H,15,16)(H,18,19)/t9-/m0/s1
Definition date:	2017-01-25
Last modified:	2017-11-17
Release date:	2017-11-22
Identifier:	N-(4-aminobenzene-1-carbonyl)-L-glutamic acid

WCU

WCU
Name:	~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine
Formula:	C13 H12 N2 O2
SMILES:	Nc1ccccc1Nc2ccc3OCOc3c2
InChi:	InChI=1S/C13H12N2O2/c14-10-3-1-2-4-11(10)15-9-5-6-12-13(7-9)17-8-16-12/h1-7,15H,8,14H2
Definition date:	2017-01-30
Last modified:	2017-10-20
Release date:	2017-10-25
Identifier:	~{N}2-(1,3-benzodioxol-5-yl)benzene-1,2-diamine

8JS

8JS
Name:	4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide
Formula:	C13 H12 F N3 O2 S2
SMILES:	c1cc(ccc1NC(Nc2ccc(cc2)S(N)(=O)=O)=S)F
InChi:	InChI=1S/C13H12FN3O2S2/c14-9-1-3-10(4-2-9)16-13(20)17-11-5-7-12(8-6-11)21(15,18)19/h1-8H,(H2,15,18,19)(H2,16,17,20)
Definition date:	2017-02-09
Last modified:	2017-10-06
Release date:	2017-10-11
Identifier:	4-{[(4-fluorophenyl)carbamothioyl]amino}benzene-1-sulfonamide

S2L

S2L
Name:	5-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
Formula:	C14 H11 Cl O3
SMILES:	c1c(cc(cc1O)[C@H]=Cc2c(cc(cc2)O)Cl)O
InChi:	InChI=1S/C14H11ClO3/c15-14-8-11(16)4-3-10(14)2-1-9-5-12(17)7-13(18)6-9/h1-8,16-18H/b2-1+
Definition date:	2016-12-06
Last modified:	2017-09-22
Release date:	2017-09-27
Identifier:	5-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol

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