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EUH

EUH
Name:	6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine
Formula:	C8 H5 F3 N2 S2
SMILES:	Nc1sc2cc(SC(F)(F)F)ccc2n1
InChi:	InChI=1S/C8H5F3N2S2/c9-8(10,11)15-4-1-2-5-6(3-4)14-7(12)13-5/h1-3H,(H2,12,13)
Definition date:	2018-04-19
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	6-(trifluoromethylsulfanyl)-1,3-benzothiazol-2-amine

EUK

EUK
Name:	6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine
Formula:	C14 H10 Cl2 N2 S2
SMILES:	Nc1sc2cc(SCc3ccc(Cl)c(Cl)c3)ccc2n1
InChi:	InChI=1S/C14H10Cl2N2S2/c15-10-3-1-8(5-11(10)16)7-19-9-2-4-12-13(6-9)20-14(17)18-12/h1-6H,7H2,(H2,17,18)
Definition date:	2018-04-19
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	6-[(3,4-dichlorophenyl)methylsulfanyl]-1,3-benzothiazol-2-amine

EV8

EV8
Name:	methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate
Formula:	C23 H24 N4 O4 S
SMILES:	COC(=O)C1CCN(CC1)C(=O)c2ccc(CNC(=O)c3ccc4nc(N)sc4c3)cc2
InChi:	InChI=1S/C23H24N4O4S/c1-31-22(30)16-8-10-27(11-9-16)21(29)15-4-2-14(3-5-15)13-25-20(28)17-6-7-18-19(12-17)32-23(24)26-18/h2-7,12,16H,8-11,13H2,1H3,(H2,24,26)(H,25,28)
Definition date:	2018-04-20
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	methyl 1-[4-[[(2-azanyl-1,3-benzothiazol-6-yl)carbonylamino]methyl]phenyl]carbonylpiperidine-4-carboxylate

EVW

EVW
Name:	2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide
Formula:	C21 H17 N3 O S
SMILES:	Nc1sc2cc(ccc2n1)C(=O)NC(c3ccccc3)c4ccccc4
InChi:	InChI=1S/C21H17N3OS/c22-21-23-17-12-11-16(13-18(17)26-21)20(25)24-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-13,19H,(H2,22,23)(H,24,25)
Definition date:	2018-04-25
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	2-azanyl-~{N}-(diphenylmethyl)-1,3-benzothiazole-6-carboxamide

EVZ

EVZ
Name:	methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate
Formula:	C22 H23 N3 O3 S2
SMILES:	COC(=O)C1CCN(CC1)C(=O)c2ccc(CSc3ccc4nc(N)sc4c3)cc2
InChi:	InChI=1S/C22H23N3O3S2/c1-28-21(27)16-8-10-25(11-9-16)20(26)15-4-2-14(3-5-15)13-29-17-6-7-18-19(12-17)30-22(23)24-18/h2-7,12,16H,8-11,13H2,1H3,(H2,23,24)
Definition date:	2018-04-26
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	methyl 1-[4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]phenyl]carbonylpiperidine-4-carboxylate

EWK

EWK
Name:	4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide
Formula:	C22 H19 N3 O S2
SMILES:	Nc1sc2cc(SCc3ccc(cc3)C(=O)NCc4ccccc4)ccc2n1
InChi:	InChI=1S/C22H19N3OS2/c23-22-25-19-11-10-18(12-20(19)28-22)27-14-16-6-8-17(9-7-16)21(26)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H2,23,25)(H,24,26)
Definition date:	2018-04-27
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	4-[(2-azanyl-1,3-benzothiazol-6-yl)sulfanylmethyl]-~{N}-(phenylmethyl)benzamide

EWT

EWT
Name:	2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide
Formula:	C15 H11 Cl2 N3 O S
SMILES:	Nc1sc2cc(ccc2n1)C(=O)NCc3ccc(Cl)c(Cl)c3
InChi:	InChI=1S/C15H11Cl2N3OS/c16-10-3-1-8(5-11(10)17)7-19-14(21)9-2-4-12-13(6-9)22-15(18)20-12/h1-6H,7H2,(H2,18,20)(H,19,21)
Definition date:	2018-04-27
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	2-azanyl-~{N}-[(3,4-dichlorophenyl)methyl]-1,3-benzothiazole-6-carboxamide

K5D

K5D
Name:	2-(3-bromophenoxy)-N-[(1S,2S,3R,5S)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide
Formula:	C14 H16 Br N O3
SMILES:	c3cc(Br)cc(OCC(=O)NC2C(C1C(C1)C2)O)c3
InChi:	InChI=1S/C14H16BrNO3/c15-9-2-1-3-10(6-9)19-7-13(17)16-12-5-8-4-11(8)14(12)18/h1-3,6,8,11-12,14,18H,4-5,7H2,(H,16,17)/t8?,11?,12-,14+/m1/s1
Definition date:	2018-10-30
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	2-(3-bromophenoxy)-N-[(1S,2S,3R,5S)-2-hydroxybicyclo[3.1.0]hexan-3-yl]acetamide

K5G

K5G
Name:	4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide
Formula:	C14 H16 Br N O3 S
SMILES:	Brc2cc(OCCCC(NC1C(SCC1)=O)=O)ccc2
InChi:	InChI=1S/C14H16BrNO3S/c15-10-3-1-4-11(9-10)19-7-2-5-13(17)16-12-6-8-20-14(12)18/h1,3-4,9,12H,2,5-8H2,(H,16,17)/t12-/m0/s1
Definition date:	2018-10-30
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	4-(3-bromophenoxy)-N-[(3S)-2-oxothiolan-3-yl]butanamide

K5J

K5J
Name:	4-[3-(methylsulfonyl)phenoxy]-N-[(1R,3R,5R)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide
Formula:	C17 H21 N O5 S
SMILES:	c1(cccc(c1)S(C)(=O)=O)OCCCC(NC3CC2CC2C3=O)=O
InChi:	InChI=1S/C17H21NO5S/c1-24(21,22)13-5-2-4-12(10-13)23-7-3-6-16(19)18-15-9-11-8-14(11)17(15)20/h2,4-5,10-11,14-15H,3,6-9H2,1H3,(H,18,19)/t11-,14-,15-/m1/s1
Definition date:	2018-10-31
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	4-[3-(methylsulfonyl)phenoxy]-N-[(1R,3R,5R)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide

K5M

K5M
Name:	4-[3-(methylsulfonyl)phenoxy]-N-[(1S,3S,5S)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide
Formula:	C17 H21 N O5 S
SMILES:	c3(OCCCC(NC2CC1CC1C2=O)=O)cccc(c3)S(C)(=O)=O
InChi:	InChI=1S/C17H21NO5S/c1-24(21,22)13-5-2-4-12(10-13)23-7-3-6-16(19)18-15-9-11-8-14(11)17(15)20/h2,4-5,10-11,14-15H,3,6-9H2,1H3,(H,18,19)/t11-,14-,15-/m0/s1
Definition date:	2018-10-31
Last modified:	2019-03-29
Release date:	2019-04-03
Identifier:	4-[3-(methylsulfonyl)phenoxy]-N-[(1S,3S,5S)-2-oxobicyclo[3.1.0]hexan-3-yl]butanamide

Z3P

Z3P
Name:	3,3',3''-phosphoryltripropanoic acid
Formula:	C9 H15 O7 P
SMILES:	O=C(O)CCP(=O)(CCC(=O)O)CCC(=O)O
InChi:	InChI=1S/C9H15O7P/c10-7(11)1-4-17(16,5-2-8(12)13)6-3-9(14)15/h1-6H2,(H,10,11)(H,12,13)(H,14,15)
Definition date:	2016-05-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	3,3',3''-phosphoryltripropanoic acid

HUH

HUH
Name:	1~{H}-1,2,3-triazole
Formula:	C2 H3 N3
SMILES:	[nH]1ccnn1
InChi:	InChI=1S/C2H3N3/c1-2-4-5-3-1/h1-2H,(H,3,4,5)
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1~{H}-1,2,3-triazole

HUK

HUK
Name:	butyl-[(2~{S})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{H}-indol-3-yl)propan-2-yl]-methyl-azanium
Formula:	C26 H45 N3
SMILES:	CCCC[NH+](C)[CH](C[NH+](C)CCC1CCCCCC1)Cc2c[nH]c3ccccc23
InChi:	InChI=1S/C26H43N3/c1-4-5-17-29(3)24(19-23-20-27-26-15-11-10-14-25(23)26)21-28(2)18-16-22-12-8-6-7-9-13-22/h10-11,14-15,20,22,24,27H,4-9,12-13,16-19,21H2,1-3H3/p+2/t24-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	butyl-[(2~{S})-1-[2-cycloheptylethyl(methyl)azaniumyl]-3-(1~{H}-indol-3-yl)propan-2-yl]-methyl-azanium

HUN

HUN
Name:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium
Formula:	C24 H38 N3 O
SMILES:	CCCC[NH2+][CH](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3
InChi:	InChI=1S/C24H37N3O/c1-2-3-15-25-23(17-20-18-27-22-13-9-8-12-21(20)22)24(28)26-16-14-19-10-6-4-5-7-11-19/h8-9,12-13,18-19,23,25,27H,2-7,10-11,14-17H2,1H3,(H,26,28)/p+1/t23-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]azanium

HUQ

HUQ
Name:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium
Formula:	C26 H42 N3 O
SMILES:	CCCC[N+](C)(C)[CH](Cc1c[nH]c2ccccc12)C(=O)NCCC3CCCCCC3
InChi:	InChI=1S/C26H41N3O/c1-4-5-18-29(2,3)25(19-22-20-28-24-15-11-10-14-23(22)24)26(30)27-17-16-21-12-8-6-7-9-13-21/h10-11,14-15,20-21,25,28H,4-9,12-13,16-19H2,1-3H3/p+1/t25-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	butyl-[(2~{S})-1-(2-cycloheptylethylamino)-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]-dimethyl-azanium

HUT

HUT
Name:	(2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide
Formula:	C25 H39 N3 O
SMILES:	CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCCCC3CCCCCC3
InChi:	InChI=1S/C25H39N3O/c1-2-3-16-26-24(18-21-19-28-23-15-9-8-14-22(21)23)25(29)27-17-10-13-20-11-6-4-5-7-12-20/h8-9,14-15,19-20,24,26,28H,2-7,10-13,16-18H2,1H3,(H,27,29)/t24-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-2-(butylamino)-~{N}-(3-cycloheptylpropyl)-3-(1~{H}-indol-3-yl)propanamide

HUV

HUV
Name:	methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate
Formula:	C15 H20 N O14 P3
SMILES:	O=C(c3ccc1c(ccn1C2CC(C(O2)COP(=O)(O)OP(O)(=O)OP(O)(=O)O)O)c3)OC
InChi:	InChI=1S/C15H20NO14P3/c1-26-15(18)10-2-3-11-9(6-10)4-5-16(11)14-7-12(17)13(28-14)8-27-32(22,23)30-33(24,25)29-31(19,20)21/h2-6,12-14,17H,7-8H2,1H3,(H,22,23)(H,24,25)(H2,19,20,21)/t12-,13+,14-/m0/s1
Definition date:	2018-07-20
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	methyl 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-alpha-D-erythro-pentofuranosyl}-1H-indole-5-carboxylate

HUZ

HUZ
Name:	(2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide
Formula:	C25 H40 N4 O
SMILES:	CCCCN[CH](Cc1c[nH]c2ccccc12)C(=O)NCC[CH]3CC[CH](CC3)N(C)C
InChi:	InChI=1S/C25H40N4O/c1-4-5-15-26-24(17-20-18-28-23-9-7-6-8-22(20)23)25(30)27-16-14-19-10-12-21(13-11-19)29(2)3/h6-9,18-19,21,24,26,28H,4-5,10-17H2,1-3H3,(H,27,30)/t19-,21-,24-/m0/s1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	(2~{S})-2-(butylamino)-~{N}-[2-[4-(dimethylamino)cyclohexyl]ethyl]-3-(1~{H}-indol-3-yl)propanamide

HV2

HV2
Name:	1,1-bis(oxidanylidene)thietan-3-ol
Formula:	C3 H6 O3 S
SMILES:	OC1C[S](=O)(=O)C1
InChi:	InChI=1S/C3H6O3S/c4-3-1-7(5,6)2-3/h3-4H,1-2H2
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	1,1-bis(oxidanylidene)thietan-3-ol

HVE

HVE
Name:	[1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium
Formula:	C12 H18 N5
SMILES:	[NH3+]CC1CCN(CC1)c2ncnc3[nH]ccc23
InChi:	InChI=1S/C12H17N5/c13-7-9-2-5-17(6-3-9)12-10-1-4-14-11(10)15-8-16-12/h1,4,8-9H,2-3,5-7,13H2,(H,14,15,16)/p+1
Definition date:	2018-12-19
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	[1-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]methylazanium

FVV

FVV
Name:	10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
Formula:	C17 H16 F N3
SMILES:	c4(ccc(CN3C=1N(CCCN=1)c2c3cccc2)cc4)F
InChi:	InChI=1S/C17H16FN3/c18-14-8-6-13(7-9-14)12-21-16-5-2-1-4-15(16)20-11-3-10-19-17(20)21/h1-2,4-9H,3,10-12H2
Definition date:	2018-04-22
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole

FXB

FXB
Name:	5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
Formula:	C21 H21 N O3
SMILES:	CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(OCC=C)c4c13
InChi:	InChI=1S/C21H21NO3/c1-4-11-25-16-10-5-7-13-17(16)20-19(21(13)24)18-14(22(20)12(2)3)8-6-9-15(18)23/h4-5,7,10,12H,1,6,8-9,11H2,2-3H3
Definition date:	2018-08-11
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione

FYB

FYB
Name:	~{N}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide
Formula:	C17 H16 F3 N O4
SMILES:	C1C(F)(CCC(C1)(CNC(C=2Oc3ccc(F)cc3C(C=2)=O)=O)O)F
InChi:	InChI=1S/C17H16F3NO4/c18-10-1-2-13-11(7-10)12(22)8-14(25-13)15(23)21-9-16(24)3-5-17(19,20)6-4-16/h1-2,7-8,24H,3-6,9H2,(H,21,23)
Definition date:	2018-08-17
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-6-fluoro-4-oxo-4H-1-benzopyran-2-carboxamide

HVQ

HVQ
Name:	thiophen-3-ylmethylazanium
Formula:	C5 H8 N S
SMILES:	[NH3+]Cc1cscc1
InChi:	InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2/p+1
Definition date:	2018-12-20
Last modified:	2019-03-22
Release date:	2019-03-27
Identifier:	thiophen-3-ylmethylazanium

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