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AJK

AJK
Name:	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium
Formula:	C19 H20 Cl N2
SMILES:	Clc1cc(C[NH2+]CCc2[nH]ccc2)ccc1c3ccccc3
InChi:	InChI=1S/C19H19ClN2/c20-19-13-15(14-21-12-10-17-7-4-11-22-17)8-9-18(19)16-5-2-1-3-6-16/h1-9,11,13,21-22H,10,12,14H2/p+1
Definition date:	2017-08-21
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-pyrrol-2-yl)ethyl]azanium

AOK

AOK
Name:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine
Formula:	C25 H26 Cl N3
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(C)cc4n3)cc2Cl
InChi:	InChI=1S/C25H26ClN3/c1-3-19-6-4-5-7-20(19)21-10-9-18(15-22(21)26)16-27-13-12-25-28-23-11-8-17(2)14-24(23)29-25/h4-11,14-15,27H,3,12-13,16H2,1-2H3,(H,28,29)
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methyl-1~{H}-benzimidazol-2-yl)ethanamine

AOW

AOW
Name:	[2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium
Formula:	C24 H24 Cl N4 O2
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4c(cccc4[N+](O)=O)n3)cc2Cl
InChi:	InChI=1S/C24H24ClN4O2/c1-2-17-6-3-4-7-18(17)19-11-10-16(14-20(19)25)15-26-13-12-23-27-21-8-5-9-22(29(30)31)24(21)28-23/h3-11,14,26H,2,12-13,15H2,1H3,(H,27,28)(H,30,31)/q+1
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[2-[2-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methylamino]ethyl]-3~{H}-benzimidazol-4-yl]-oxidanyl-oxidanylidene-azanium

AQ8

AQ8
Name:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine
Formula:	C25 H26 Cl N3 O
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4cccc(OC)c4n3)cc2Cl
InChi:	InChI=1S/C25H26ClN3O/c1-3-18-7-4-5-8-19(18)20-12-11-17(15-21(20)26)16-27-14-13-24-28-22-9-6-10-23(30-2)25(22)29-24/h4-12,15,27H,3,13-14,16H2,1-2H3,(H,28,29)
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(4-methoxy-1~{H}-benzimidazol-2-yl)ethanamine

AQT

AQT
Name:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine
Formula:	C25 H26 Cl N3 O
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(OC)cc4n3)cc2Cl
InChi:	InChI=1S/C25H26ClN3O/c1-3-18-6-4-5-7-20(18)21-10-8-17(14-22(21)26)16-27-13-12-25-28-23-11-9-19(30-2)15-24(23)29-25/h4-11,14-15,27H,3,12-13,16H2,1-2H3,(H,28,29)
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(5-methoxy-1~{H}-benzimidazol-2-yl)ethanamine

AQW

AQW
Name:	2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine
Formula:	C24 H23 Cl2 N3
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4ccc(Cl)cc4n3)cc2Cl
InChi:	InChI=1S/C24H23Cl2N3/c1-2-17-5-3-4-6-19(17)20-9-7-16(13-21(20)26)15-27-12-11-24-28-22-10-8-18(25)14-23(22)29-24/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(5-chloranyl-1~{H}-benzimidazol-2-yl)-~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]ethanamine

E5E

E5E
Name:	Noradrenaline
Formula:	C8 H12 N O3
SMILES:	[NH3+]C[CH](O)c1ccc(O)c(O)c1
InChi:	InChI=1S/C8H11NO3/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8,10-12H,4,9H2/p+1/t8-/m0/s1
Definition date:	2018-02-19
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[(2~{R})-2-[3,4-bis(oxidanyl)phenyl]-2-oxidanyl-ethyl]azanium

E7S

E7S
Name:	(5,6-dimethyl-1H-benzimidazol-2-yl)methanol
Formula:	C10 H12 N2 O
SMILES:	c21c(cc(C)c(c1)C)nc(CO)n2
InChi:	InChI=1S/C10H12N2O/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12)
Definition date:	2017-12-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(5,6-dimethyl-1H-benzimidazol-2-yl)methanol

E7V

E7V
Name:	4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid
Formula:	C25 H19 Br Cl2 N2 O3 S
SMILES:	c32c(cc(Sc1cc(c(Cl)cc1)Cl)cc2Br)n(c(c3)C(O)=O)Cc4ccc(cc4)C(=O)N(C)C
InChi:	InChI=1S/C25H19BrCl2N2O3S/c1-29(2)24(31)15-5-3-14(4-6-15)13-30-22-11-17(34-16-7-8-20(27)21(28)10-16)9-19(26)18(22)12-23(30)25(32)33/h3-12H,13H2,1-2H3,(H,32,33)
Definition date:	2017-12-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	4-bromo-6-[(3,4-dichlorophenyl)sulfanyl]-1-{[4-(dimethylcarbamoyl)phenyl]methyl}-1H-indole-2-carboxylic acid

AU8

AU8
Name:	[3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium
Formula:	C13 H12 Cl2 N
SMILES:	[NH3+]Cc1cc(Cl)c(c(Cl)c1)c2ccccc2
InChi:	InChI=1S/C13H11Cl2N/c14-11-6-9(8-16)7-12(15)13(11)10-4-2-1-3-5-10/h1-7H,8,16H2/p+1
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[3,5-bis(chloranyl)-4-phenyl-phenyl]methylazanium

AUH

AUH
Name:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine
Formula:	C25 H27 N3 O
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2OC
InChi:	InChI=1S/C25H27N3O/c1-3-19-8-4-5-9-20(19)21-13-12-18(16-24(21)29-2)17-26-15-14-25-27-22-10-6-7-11-23(22)28-25/h4-13,16,26H,3,14-15,17H2,1-2H3,(H,27,28)
Definition date:	2017-08-22
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methoxy-phenyl]methyl]ethanamine

AUT

AUT
Name:	[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine
Formula:	C15 H15 Cl2 N
SMILES:	CCc1ccccc1c2c(Cl)cc(CN)cc2Cl
InChi:	InChI=1S/C15H15Cl2N/c1-2-11-5-3-4-6-12(11)15-13(16)7-10(9-18)8-14(15)17/h3-8H,2,9,18H2,1H3
Definition date:	2017-08-23
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methanamine

AUW

AUW
Name:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine
Formula:	C24 H23 Cl2 N3
SMILES:	CCc1ccccc1c2c(Cl)cc(CNCCc3[nH]c4ccccc4n3)cc2Cl
InChi:	InChI=1S/C24H23Cl2N3/c1-2-17-7-3-4-8-18(17)24-19(25)13-16(14-20(24)26)15-27-12-11-23-28-21-9-5-6-10-22(21)29-23/h3-10,13-14,27H,2,11-12,15H2,1H3,(H,28,29)
Definition date:	2017-08-23
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[3,5-bis(chloranyl)-4-(2-ethylphenyl)phenyl]methyl]ethanamine

AVK

AVK
Name:	~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine
Formula:	C18 H18 Cl N3
SMILES:	Clc1cc(CNCCc2[nH]ccn2)ccc1c3ccccc3
InChi:	InChI=1S/C18H18ClN3/c19-17-12-14(13-20-9-8-18-21-10-11-22-18)6-7-16(17)15-4-2-1-3-5-15/h1-7,10-12,20H,8-9,13H2,(H,21,22)
Definition date:	2017-08-24
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]-2-(1~{H}-imidazol-2-yl)ethanamine

AVZ

AVZ
Name:	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium
Formula:	C18 H19 Cl N3
SMILES:	Clc1cc(C[NH2+]CCc2c[nH]cn2)ccc1c3ccccc3
InChi:	InChI=1S/C18H18ClN3/c19-18-10-14(11-20-9-8-16-12-21-13-22-16)6-7-17(18)15-4-2-1-3-5-15/h1-7,10,12-13,20H,8-9,11H2,(H,21,22)/p+1
Definition date:	2017-08-24
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium

AW5

AW5
Name:	3-methyl-5-oxidanyl-benzoic acid
Formula:	C8 H8 O3
SMILES:	Cc1cc(O)cc(c1)C(O)=O
InChi:	InChI=1S/C8H8O3/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,9H,1H3,(H,10,11)
Definition date:	2017-08-24
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	3-methyl-5-oxidanyl-benzoic acid

AWE

AWE
Name:	[3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine
Formula:	C13 H11 Cl F N
SMILES:	NCc1ccc(c(Cl)c1)c2cccc(F)c2
InChi:	InChI=1S/C13H11ClFN/c14-13-6-9(8-16)4-5-12(13)10-2-1-3-11(15)7-10/h1-7H,8,16H2
Definition date:	2017-08-24
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine

AWK

AWK
Name:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine
Formula:	C25 H26 Cl N3
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4c(C)cccc4n3)cc2Cl
InChi:	InChI=1S/C25H26ClN3/c1-3-19-8-4-5-9-20(19)21-12-11-18(15-22(21)26)16-27-14-13-24-28-23-10-6-7-17(2)25(23)29-24/h4-12,15,27H,3,13-14,16H2,1-2H3,(H,28,29)
Definition date:	2017-08-24
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine

AWN

AWN
Name:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine
Formula:	C22 H20 Cl N3
SMILES:	Clc1cc(CNCCc2[nH]c3ccccc3n2)ccc1c4ccccc4
InChi:	InChI=1S/C22H20ClN3/c23-19-14-16(10-11-18(19)17-6-2-1-3-7-17)15-24-13-12-22-25-20-8-4-5-9-21(20)26-22/h1-11,14,24H,12-13,15H2,(H,25,26)
Definition date:	2017-08-25
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine

B0W

B0W
Name:	4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]benzoic acid
Formula:	C15 H17 N3 O7
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)C(O)=O
InChi:	InChI=1S/C15H17N3O7/c19-5-8-9(20)10(21)11(22)12(25-8)14-16-13(17-18-14)6-1-3-7(4-2-6)15(23)24/h1-4,8-12,19-22H,5H2,(H,23,24)(H,16,17,18)/t8-,9-,10+,11-,12-/m1/s1
Definition date:	2017-09-05
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	4-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-4~{H}-1,2,4-triazol-3-yl]benzoic acid

B0Z

B0Z
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
Formula:	C15 H16 F3 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)C(F)(F)F
InChi:	InChI=1S/C15H16F3N3O5/c16-15(17,18)7-3-1-6(2-4-7)13-19-14(21-20-13)12-11(25)10(24)9(23)8(5-22)26-12/h1-4,8-12,22-25H,5H2,(H,19,20,21)/t8-,9-,10+,11-,12-/m1/s1
Definition date:	2017-09-05
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-[4-(trifluoromethyl)phenyl]-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol

B1W

B1W
Name:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(4-aminophenyl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C14 H18 N4 O5
SMILES:	Nc1ccc(cc1)c2[nH]c(nn2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O
InChi:	InChI=1S/C14H18N4O5/c15-7-3-1-6(2-4-7)13-16-14(18-17-13)12-11(22)10(21)9(20)8(5-19)23-12/h1-4,8-12,19-22H,5,15H2,(H,16,17,18)/t8-,9-,10+,11-,12-/m1/s1
Definition date:	2017-09-05
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(4-aminophenyl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

B5E

B5E
Name:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine
Formula:	C25 H24 F3 N3
SMILES:	CCc1ccccc1c2ccc(CNCCc3[nH]c4ccccc4n3)cc2C(F)(F)F
InChi:	InChI=1S/C25H24F3N3/c1-2-18-7-3-4-8-19(18)20-12-11-17(15-21(20)25(26,27)28)16-29-14-13-24-30-22-9-5-6-10-23(22)31-24/h3-12,15,29H,2,13-14,16H2,1H3,(H,30,31)
Definition date:	2017-09-15
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-(trifluoromethyl)phenyl]methyl]ethanamine

B5W

B5W
Name:	(3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium
Formula:	C22 H23 Cl N
SMILES:	Clc1cc(C[NH2+]CCCc2ccccc2)ccc1c3ccccc3
InChi:	InChI=1S/C22H22ClN/c23-22-16-19(13-14-21(22)20-11-5-2-6-12-20)17-24-15-7-10-18-8-3-1-4-9-18/h1-6,8-9,11-14,16,24H,7,10,15,17H2/p+1
Definition date:	2017-09-19
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(3-chloranyl-4-phenyl-phenyl)methyl-(3-phenylpropyl)azanium

EVY

EVY
Name:	(2S)-2-hexyl-N-[(3S)-2-oxooxolan-3-yl]decanamide
Formula:	C20 H37 N O3
SMILES:	CCCCCCCCC(CCCCCC)C(=O)NC1C(OCC1)=O
InChi:	InChI=1S/C20H37NO3/c1-3-5-7-9-10-12-14-17(13-11-8-6-4-2)19(22)21-18-15-16-24-20(18)23/h17-18H,3-16H2,1-2H3,(H,21,22)/t17-,18-/m0/s1
Definition date:	2018-02-05
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2S)-2-hexyl-N-[(3S)-2-oxooxolan-3-yl]decanamide

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