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L8Q

L8Q
Name:	2-methoxy-5-nitro-phenol
Formula:	C7 H7 N O4
SMILES:	COc1ccc(cc1O)[N+]([O-])=O
InChi:	InChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3
Definition date:	2019-07-29
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-methoxy-5-nitro-phenol

L9B

L9B
Name:	4-(4-oxidanylbutyl)benzenesulfonamide
Formula:	C10 H15 N O3 S
SMILES:	N[S](=O)(=O)c1ccc(CCCCO)cc1
InChi:	InChI=1S/C10H15NO3S/c11-15(13,14)10-6-4-9(5-7-10)3-1-2-8-12/h4-7,12H,1-3,8H2,(H2,11,13,14)
Definition date:	2019-07-30
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-(4-oxidanylbutyl)benzenesulfonamide

LBK

LBK
Name:	6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
Formula:	C18 H19 N3 O2
SMILES:	COc1cc2ncnc(N[CH](C)c3ccccc3)c2cc1OC
InChi:	InChI=1S/C18H19N3O2/c1-12(13-7-5-4-6-8-13)21-18-14-9-16(22-2)17(23-3)10-15(14)19-11-20-18/h4-12H,1-3H3,(H,19,20,21)/t12-/m1/s1
Definition date:	2019-08-02
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine

LBQ

LBQ
Name:	4-(furan-2-ylmethylamino)benzenesulfonamide
Formula:	C11 H12 N2 O3 S
SMILES:	N[S](=O)(=O)c1ccc(NCc2occc2)cc1
InChi:	InChI=1S/C11H12N2O3S/c12-17(14,15)11-5-3-9(4-6-11)13-8-10-2-1-7-16-10/h1-7,13H,8H2,(H2,12,14,15)
Definition date:	2019-08-02
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-(furan-2-ylmethylamino)benzenesulfonamide

LC8

LC8
Name:	4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide
Formula:	C11 H11 N3 O5 S
SMILES:	N[S](=O)(=O)c1ccc(NCc2occc2)c(c1)[N+]([O-])=O
InChi:	InChI=1S/C11H11N3O5S/c12-20(17,18)9-3-4-10(11(6-9)14(15)16)13-7-8-2-1-5-19-8/h1-6,13H,7H2,(H2,12,17,18)
Definition date:	2019-08-02
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-(furan-2-ylmethylamino)-3-nitro-benzenesulfonamide

LDK

LDK
Name:	(2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid
Formula:	C10 H16 N2 O10 S
SMILES:	OC(=O)CC[CH](N[S](=O)(=O)N[CH](CCC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C10H16N2O10S/c13-7(14)3-1-5(9(17)18)11-23(21,22)12-6(10(19)20)2-4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1
Definition date:	2019-08-05
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	(2~{S})-2-[[(2~{S})-1,5-bis(oxidanyl)-1,5-bis(oxidanylidene)pentan-2-yl]sulfamoylamino]pentanedioic acid

LDQ

LDQ
Name:	Hosieine
Formula:	C15 H20 N2 O
SMILES:	C[CH]1C[CH]2[CH]3CN4C(=O)C=CC=C4[CH](CN2C)[CH]13
InChi:	InChI=1S/C15H20N2O/c1-9-6-13-11-8-17-12(4-3-5-14(17)18)10(15(9)11)7-16(13)2/h3-5,9-11,13,15H,6-8H2,1-2H3/t9-,10-,11-,13-,15-/m1/s1
Definition date:	2019-08-05
Last modified:	2020-08-21
Release date:	2020-08-26

LDW

LDW
Name:	5-(4-fluoranylphenoxy)pyridin-2-amine
Formula:	C11 H9 F N2 O
SMILES:	Nc1ccc(Oc2ccc(F)cc2)cn1
InChi:	InChI=1S/C11H9FN2O/c12-8-1-3-9(4-2-8)15-10-5-6-11(13)14-7-10/h1-7H,(H2,13,14)
Definition date:	2019-08-08
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	5-(4-fluoranylphenoxy)pyridin-2-amine

LEQ

LEQ
Name:	5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one
Formula:	C14 H14 N2 O2 S
SMILES:	CN1C=C(C=CC1=O)C(=O)N2CCc3sccc3C2
InChi:	InChI=1S/C14H14N2O2S/c1-15-8-11(2-3-13(15)17)14(18)16-6-4-12-10(9-16)5-7-19-12/h2-3,5,7-8H,4,6,9H2,1H3
Definition date:	2019-08-09
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	5-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylcarbonyl)-1-methyl-pyridin-2-one

LEZ

LEZ
Name:	~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine
Formula:	C21 H24 Cl N3
SMILES:	Clc1cccc(CNC2CCN(CC2)Cc3c[nH]c4ccccc34)c1
InChi:	InChI=1S/C21H24ClN3/c22-18-5-3-4-16(12-18)13-23-19-8-10-25(11-9-19)15-17-14-24-21-7-2-1-6-20(17)21/h1-7,12,14,19,23-24H,8-11,13,15H2
Definition date:	2019-08-10
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[(3-chlorophenyl)methyl]-1-(1~{H}-indol-3-ylmethyl)piperidin-4-amine

LHK

LHK
Name:	(2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid
Formula:	C9 H14 N2 O10 S
SMILES:	OC(=O)CC[CH](N[S](=O)(=O)N[CH](CC(O)=O)C(O)=O)C(O)=O
InChi:	InChI=1S/C9H14N2O10S/c12-6(13)2-1-4(8(16)17)10-22(20,21)11-5(9(18)19)3-7(14)15/h4-5,10-11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)(H,18,19)/t4-,5-/m0/s1
Definition date:	2019-08-15
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	(2~{S})-2-[[(2~{S})-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]sulfamoylamino]pentanedioic acid

LW8

LW8
Name:	trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
Formula:	C9 H16 N3 O2 S
SMILES:	C[N+](C)(C)[CH](CC1=CNC(=S)N1)C(O)=O
InChi:	InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1
Definition date:	2019-08-30
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	trimethyl-[(2~{S})-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium

U41

U41
Name:	3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide
Formula:	C21 H20 Cl F N2 O2
SMILES:	C(=O)(c1cccc(c1)Cl)NC24CC(C2)(C(C(=O)Nc3ccc(cc3)F)C)C4
InChi:	InChI=1S/C21H20ClFN2O2/c1-13(18(26)24-17-7-5-16(23)6-8-17)20-10-21(11-20,12-20)25-19(27)14-3-2-4-15(22)9-14/h2-9,13H,10-12H2,1H3,(H,24,26)(H,25,27)/t13-,20-,21+/m1/s1
Definition date:	2020-04-15
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	3-chloro-N-(3-{(2S)-1-[(4-fluorophenyl)amino]-1-oxopropan-2-yl}bicyclo[1.1.1]pentan-1-yl)benzamide

V67

V67
Name:	4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid
Formula:	C15 H9 F2 N5 O3
SMILES:	n1(cncc1)c2nnc(cc2)C(Nc3c(cc(c(c3)F)F)C(O)=O)=O
InChi:	InChI=1S/C15H9F2N5O3/c16-9-5-8(15(24)25)12(6-10(9)17)19-14(23)11-1-2-13(21-20-11)22-4-3-18-7-22/h1-7H,(H,19,23)(H,24,25)
Definition date:	2020-07-06
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4,5-difluoro-2-{[6-(1H-imidazol-1-yl)pyridazine-3-carbonyl]amino}benzoic acid

V9G

V9G
Name:	7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE
Formula:	C22 H32 N10 O17 P3
SMILES:	CO[CH]1[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)[n]3cn(C)c4C(=O)NC(=Nc34)N)O[CH]1n5cnc6c(N)ncnc56
InChi:	InChI=1S/C22H32N10O17P3/c1-30-7-32(18-11(30)19(36)29-22(24)28-18)20-14(35)12(33)8(46-20)3-44-50(37,38)48-52(41,42)49-51(39,40)45-4-9-13(34)15(43-2)21(47-9)31-6-27-10-16(23)25-5-26-17(10)31/h5-9,12-15,20-21,33-35H,3-4H2,1-2H3,(H,37,38)(H,39,40)(H,41,42)(H2,23,25,26)(H3,24,28,29,36)/t8-,9-,12-,13-,14-,15-,20-,21-/m1/s1
Definition date:	2020-07-21
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-methoxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate

VJ1

VJ1
Name:	2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose
Formula:	C34 H68 N O12 P
SMILES:	C(=O)(CC(CCCCCCCCCCC)O)NC1C(OP(O)(O)=O)OC(C(C1OC(CC(CCCCCCCCCCC)O)O)O)CO
InChi:	InChI=1S/C34H68NO12P/c1-3-5-7-9-11-13-15-17-19-21-26(37)23-29(39)35-31-33(32(41)28(25-36)45-34(31)47-48(42,43)44)46-30(40)24-27(38)22-20-18-16-14-12-10-8-6-4-2/h26-28,30-34,36-38,40-41H,3-25H2,1-2H3,(H,35,39)(H2,42,43,44)/t26-,27-,28-,30-,31-,32-,33-,34-/m1/s1
Definition date:	2020-08-13
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-deoxy-3-O-[(1R,3R)-1,3-dihydroxytetradecyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-1-O-phosphono-alpha-D-glucopyranose

VJ4

VJ4
Name:	2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-alpha-D-glucopyranose
Formula:	C22 H44 N O11 P
SMILES:	N(C(CC(OC(=O)CCCC)CCCCCCCC)O)C1C(OC(C(OP(O)(=O)O)C1O)CO)O
InChi:	InChI=1S/C22H44NO11P/c1-3-5-7-8-9-10-11-15(32-18(26)12-6-4-2)13-17(25)23-19-20(27)21(34-35(29,30)31)16(14-24)33-22(19)28/h15-17,19-25,27-28H,3-14H2,1-2H3,(H2,29,30,31)/t15-,16-,17+,19-,20-,21-,22-/m1/s1
Definition date:	2020-08-13
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	2-deoxy-2-{[(1S,3R)-1-hydroxy-3-(pentanoyloxy)undecyl]amino}-4-O-phosphono-beta-D-glucopyranose

DV6

DV6
Name:	[(2S)-3-[(2S)-2-(disulfanyl)-2,3-dihydro-1H-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium
Formula:	C9 H18 N3 O2 S2
SMILES:	C[N+](C)(C)[CH](CC1=CN[CH](N1)SS)C(O)=O
InChi:	InChI=1S/C9H17N3O2S2/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7,9-11H,4H2,1-3H3,(H-,13,14,15)/p+1/t7-,9-/m0/s1
Definition date:	2019-09-03
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[(2~{S})-3-[(2~{S})-2-(disulfanyl)-2,3-dihydro-1~{H}-imidazol-4-yl]-1-oxidanyl-1-oxidanylidene-propan-2-yl]-trimethyl-azanium

T6S

T6S
Name:	alpha-D-glucopyranosyl 6-O-sulfo-alpha-D-glucopyranoside
Formula:	C12 H22 O14 S
SMILES:	C1(C(O)C(O)C(C(O1)OC2C(O)C(O)C(C(O2)CO)O)O)COS(O)(=O)=O
InChi:	InChI=1S/C12H22O14S/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
Definition date:	2018-08-07
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	alpha-D-glucopyranosyl 6-O-sulfo-alpha-D-glucopyranoside

E4U

E4U
Name:	[(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid
Formula:	C23 H26 B Cl2 N3 O4
SMILES:	CC(C)C[CH](NC(=O)[CH](Cc1c[nH]c2ccccc12)NC(=O)c3cc(Cl)ccc3Cl)B(O)O
InChi:	InChI=1S/C23H26BCl2N3O4/c1-13(2)9-21(24(32)33)29-23(31)20(10-14-12-27-19-6-4-3-5-16(14)19)28-22(30)17-11-15(25)7-8-18(17)26/h3-8,11-13,20-21,27,32-33H,9-10H2,1-2H3,(H,28,30)(H,29,31)/t20-,21-/m0/s1
Definition date:	2019-10-16
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	[(1~{R})-1-[[(2~{S})-2-[[2,5-bis(chloranyl)phenyl]carbonylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-methyl-butyl]boronic acid

E5Z

E5Z
Name:	~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide
Formula:	C15 H17 N5 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCCC(=O)N=CCc2[nH]cnc2
InChi:	InChI=1S/C15H17N5O4S/c16-25(23,24)13-3-1-11(2-4-13)15(22)19-8-6-14(21)18-7-5-12-9-17-10-20-12/h1-4,7,9-10H,5-6,8H2,(H,17,20)(H,19,22)(H2,16,23,24)/b18-7+
Definition date:	2018-02-20
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[3-[(~{E})-2-(1~{H}-imidazol-5-yl)ethylideneamino]-3-oxidanylidene-propyl]-4-sulfamoyl-benzamide

E68

E68
Name:	~{N}-[2-[2-(1~{H}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide
Formula:	C14 H17 N5 O4 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(=O)NCCc2c[nH]cn2
InChi:	InChI=1S/C14H17N5O4S/c15-24(22,23)12-3-1-10(2-4-12)14(21)18-8-13(20)17-6-5-11-7-16-9-19-11/h1-4,7,9H,5-6,8H2,(H,16,19)(H,17,20)(H,18,21)(H2,15,22,23)
Definition date:	2018-02-20
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[2-[2-(1~{H}-imidazol-4-yl)ethylamino]-2-oxidanylidene-ethyl]-4-sulfamoyl-benzamide

E6B

E6B
Name:	~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide
Formula:	C12 H14 N4 O3 S
SMILES:	N[S](=O)(=O)c1ccc(cc1)C(=O)NCCc2c[nH]cn2
InChi:	InChI=1S/C12H14N4O3S/c13-20(18,19)11-3-1-9(2-4-11)12(17)15-6-5-10-7-14-8-16-10/h1-4,7-8H,5-6H2,(H,14,16)(H,15,17)(H2,13,18,19)
Definition date:	2018-02-20
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-4-sulfamoyl-benzamide

OGS

OGS
Name:	4-octylphenyl 6-O-sulfo-alpha-D-glucopyranoside
Formula:	C20 H32 O9 S
SMILES:	C2(C(O)C(O)C(Oc1ccc(cc1)CCCCCCCC)OC2COS(=O)(O)=O)O
InChi:	InChI=1S/C20H32O9S/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)28-20-19(23)18(22)17(21)16(29-20)13-27-30(24,25)26/h9-12,16-23H,2-8,13H2,1H3,(H,24,25,26)/t16-,17-,18+,19-,20+/m1/s1
Definition date:	2018-08-07
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	4-octylphenyl 6-O-sulfo-alpha-D-glucopyranoside

X57

X57
Name:	(2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid
Formula:	C10 H14 F N3 O5
SMILES:	O=C(C1C=C(C)C(NOC(C(=O)O)F)CN1C=O)N
InChi:	InChI=1S/C10H14FN3O5/c1-5-2-7(9(12)16)14(4-15)3-6(5)13-19-8(11)10(17)18/h2,4,6-8,13H,3H2,1H3,(H2,12,16)(H,17,18)/t6-,7-,8-/m0/s1
Definition date:	2020-01-13
Last modified:	2020-08-21
Release date:	2020-08-26
Identifier:	(2R)-({[(3R,6S)-6-carbamoyl-1-formyl-4-methyl-1,2,3,6-tetrahydropyridin-3-yl]amino}oxy)(fluoro)acetic acid

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224572

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