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8LZ

8LZ
Name:	(2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium
Formula:	C12 H16 N O2
SMILES:	C1C[NH2+][CH](C1)c2ccc3OCCOc3c2
InChi:	InChI=1S/C12H15NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h3-4,8,10,13H,1-2,5-7H2/p+1/t10-/m0/s1
Definition date:	2017-02-10
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{S})-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium

8M2

8M2
Name:	[azanyl(thiophen-3-yl)methylidene]azanium
Formula:	C5 H7 N2 S
SMILES:	NC(=[NH2+])c1cscc1
InChi:	InChI=1S/C5H6N2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H3,6,7)/p+1
Definition date:	2017-02-10
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[azanyl(thiophen-3-yl)methylidene]azanium

8M8

8M8
Name:	3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile
Formula:	C9 H8 N4 S
SMILES:	Cc1c(C)c(sc1C#N)c2n[nH]cn2
InChi:	InChI=1S/C9H8N4S/c1-5-6(2)8(14-7(5)3-10)9-11-4-12-13-9/h4H,1-2H3,(H,11,12,13)
Definition date:	2017-02-11
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	3,4-dimethyl-5-(1~{H}-1,2,4-triazol-3-yl)thiophene-2-carbonitrile

2IL

2IL
Name:	(3R)-3-(dodecanoyloxy)tetradecanoic acid
Formula:	C26 H50 O4
SMILES:	O=C(O)CC(OC(=O)CCCCCCCCCCC)CCCCCCCCCCC
InChi:	InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-24(23-25(27)28)30-26(29)22-20-18-16-14-12-10-8-6-4-2/h24H,3-23H2,1-2H3,(H,27,28)/t24-/m1/s1
Definition date:	2012-07-10
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(3R)-3-(dodecanoyloxy)tetradecanoic acid

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

9AJ

9AJ
Name:	2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one
Formula:	C37 H44 N8 O4
SMILES:	c7c1CC(C)(C)Cc1n8CCN(c6nccc(C=2C=C(C(=O)N(C=2)C)Nc5ncc(N3CCN(CC3C)C4COC4)cc5)c6CO)C(c78)=O
InChi:	InChI=1S/C37H44N8O4/c1-23-18-42(27-21-49-22-27)9-10-43(23)26-5-6-33(39-17-26)40-30-13-25(19-41(4)35(30)47)28-7-8-38-34(29(28)20-46)45-12-11-44-31(36(45)48)14-24-15-37(2,3)16-32(24)44/h5-8,13-14,17,19,23,27,46H,9-12,15-16,18,20-22H2,1-4H3,(H,39,40)/t23-/m0/s1
Definition date:	2017-04-14
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-[3'-(hydroxymethyl)-1-methyl-5-({5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl}amino)-6-oxo[1,6-dihydro[3,4'-bipyridine]]-2'-yl]-7,7-dimethyl-3,4,7,8-tetrahydro-2H-cyclopenta[4,5]pyrrolo[1,2-a]pyrazin-1(6H)-one

BJK

BJK
Name:	(4-methoxy-3-oxidanyl-phenyl)methylazanium
Formula:	C8 H12 N O2
SMILES:	COc1ccc(C[NH3+])cc1O
InChi:	InChI=1S/C8H11NO2/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,10H,5,9H2,1H3/p+1
Definition date:	2017-10-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(4-methoxy-3-oxidanyl-phenyl)methylazanium

BJN

BJN
Name:	2-pyridin-3-ylethylazanium
Formula:	C7 H11 N2
SMILES:	[NH3+]CCc1cccnc1
InChi:	InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2/p+1
Definition date:	2017-10-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-pyridin-3-ylethylazanium

BJQ

BJQ
Name:	[(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium
Formula:	C10 H14 N O2
SMILES:	COC(=O)[CH]([NH3+])Cc1ccccc1
InChi:	InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/p+1/t9-/m0/s1
Definition date:	2017-10-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

A8Q

A8Q
Name:	[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium
Formula:	C16 H19 Cl N
SMILES:	CC(C)c1ccccc1c2ccc(C[NH3+])cc2Cl
InChi:	InChI=1S/C16H18ClN/c1-11(2)13-5-3-4-6-14(13)15-8-7-12(10-18)9-16(15)17/h3-9,11H,10,18H2,1-2H3/p+1
Definition date:	2017-08-17
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[3-chloranyl-4-(2-propan-2-ylphenyl)phenyl]methylazanium

A9K

A9K
Name:	2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol
Formula:	C13 H12 Cl N O
SMILES:	NCc1ccc(c(Cl)c1)c2ccccc2O
InChi:	InChI=1S/C13H12ClNO/c14-12-7-9(8-15)5-6-10(12)11-3-1-2-4-13(11)16/h1-7,16H,8,15H2
Definition date:	2017-08-18
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-[4-(aminomethyl)-2-chloranyl-phenyl]phenol

AHK

AHK
Name:	2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium
Formula:	C24 H25 Cl N3
SMILES:	CCc1ccccc1c2ccc(C[NH2+]CCc3[nH]c4ccccc4n3)cc2Cl
InChi:	InChI=1S/C24H24ClN3/c1-2-18-7-3-4-8-19(18)20-12-11-17(15-21(20)25)16-26-14-13-24-27-22-9-5-6-10-23(22)28-24/h3-12,15,26H,2,13-14,16H2,1H3,(H,27,28)/p+1
Definition date:	2017-08-18
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(1~{H}-benzimidazol-2-yl)ethyl-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]azanium

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

CG8

CG8
Name:	(2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid
Formula:	C10 H14 N4 O4
SMILES:	CN1CC2=C(C1)C(=O)NC(=O)N2C[CH](N)C(O)=O
InChi:	InChI=1S/C10H14N4O4/c1-13-2-5-7(4-13)14(3-6(11)9(16)17)10(18)12-8(5)15/h6H,2-4,11H2,1H3,(H,16,17)(H,12,15,18)/t6-/m0/s1
Definition date:	2017-11-27
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{S})-2-azanyl-3-[6-methyl-2,4-bis(oxidanylidene)-5,7-dihydropyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid

CGW

CGW
Name:	(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid
Formula:	C9 H11 N3 O4 S
SMILES:	N[CH](CN1C(=O)NC(=O)C2=C1CSC2)C(O)=O
InChi:	InChI=1S/C9H11N3O4S/c10-5(8(14)15)1-12-6-3-17-2-4(6)7(13)11-9(12)16/h5H,1-3,10H2,(H,14,15)(H,11,13,16)/t5-/m0/s1
Definition date:	2017-11-27
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-5,7-dihydrothieno[3,4-d]pyrimidin-1-yl]propanoic acid

CJW

CJW
Name:	6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid
Formula:	C19 H19 N3 O7
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]nc(n2)c3ccc4cc(ccc4c3)C(O)=O
InChi:	InChI=1S/C19H19N3O7/c23-7-12-13(24)14(25)15(26)16(29-12)18-20-17(21-22-18)10-3-1-9-6-11(19(27)28)4-2-8(9)5-10/h1-6,12-16,23-26H,7H2,(H,27,28)(H,20,21,22)/t12-,13-,14+,15-,16-/m1/s1
Definition date:	2017-11-28
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	6-[5-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-1~{H}-1,2,4-triazol-3-yl]naphthalene-2-carboxylic acid

CKQ

CKQ
Name:	4-[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]phenyl]benzoic acid
Formula:	C21 H21 N3 O7
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)c4ccc(cc4)C(O)=O
InChi:	InChI=1S/C21H21N3O7/c25-9-14-15(26)16(27)17(28)18(31-14)20-22-19(23-24-20)12-5-1-10(2-6-12)11-3-7-13(8-4-11)21(29)30/h1-8,14-18,25-28H,9H2,(H,29,30)(H,22,23,24)/t14-,15-,16+,17-,18-/m1/s1
Definition date:	2017-11-28
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	4-[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]phenyl]benzoic acid

CKW

CKW
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
Formula:	C20 H21 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc(cc3)c4ccccc4
InChi:	InChI=1S/C20H21N3O5/c24-10-14-15(25)16(26)17(27)18(28-14)20-21-19(22-23-20)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-9,14-18,24-27H,10H2,(H,21,22,23)/t14-,15-,16+,17-,18-/m1/s1
Definition date:	2017-11-28
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-phenylphenyl)-4~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol

CKZ

CKZ
Name:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
Formula:	C21 H21 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccc4c(Cc5ccccc45)c3
InChi:	InChI=1S/C21H21N3O5/c25-9-15-16(26)17(27)18(28)19(29-15)21-22-20(23-24-21)11-5-6-14-12(8-11)7-10-3-1-2-4-13(10)14/h1-6,8,15-19,25-28H,7,9H2,(H,22,23,24)/t15-,16-,17+,18-,19-/m1/s1
Definition date:	2017-11-28
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	(2~{S},3~{R},4~{R},5~{S},6~{R})-2-[5-(9~{H}-fluoren-2-yl)-4~{H}-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

CNK

CNK
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
Formula:	C18 H19 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3cccc4ccccc34
InChi:	InChI=1S/C18H19N3O5/c22-8-12-13(23)14(24)15(25)16(26-12)18-19-17(20-21-18)11-7-3-5-9-4-1-2-6-10(9)11/h1-7,12-16,22-25H,8H2,(H,19,20,21)/t12-,13-,14+,15-,16-/m1/s1
Definition date:	2017-11-28
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-naphthalen-1-yl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol

8MN

8MN
Name:	2-(4-chlorophenyl)sulfanylethanehydrazide
Formula:	C8 H9 Cl N2 O S
SMILES:	NNC(=O)CSc1ccc(Cl)cc1
InChi:	InChI=1S/C8H9ClN2OS/c9-6-1-3-7(4-2-6)13-5-8(12)11-10/h1-4H,5,10H2,(H,11,12)
Definition date:	2017-02-11
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(4-chlorophenyl)sulfanylethanehydrazide

8MQ

8MQ
Name:	2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one
Formula:	C17 H22 N2 O
SMILES:	CC(N1CCCCCC1)C(=O)c2c[nH]c3ccccc23
InChi:	InChI=1S/C17H22N2O/c1-13(19-10-6-2-3-7-11-19)17(20)15-12-18-16-9-5-4-8-14(15)16/h4-5,8-9,12-13,18H,2-3,6-7,10-11H2,1H3
Definition date:	2017-02-12
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	2-(azepan-1-yl)-1-(1~{H}-indol-3-yl)propan-1-one

8MT

8MT
Name:	4,5-bis(bromanyl)thiophene-2-carbohydrazide
Formula:	C5 H4 Br2 N2 O S
SMILES:	NNC(=O)c1sc(Br)c(Br)c1
InChi:	InChI=1S/C5H4Br2N2OS/c6-2-1-3(5(10)9-8)11-4(2)7/h1H,8H2,(H,9,10)
Definition date:	2017-02-13
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	4,5-bis(bromanyl)thiophene-2-carbohydrazide

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