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VB3

VB3
Name:	2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol
Formula:	C16 H25 N O
SMILES:	CC(NCc1ccccc1O)CC2CCCCC2
InChi:	InChI=1S/C16H25NO/c1-13(11-14-7-3-2-4-8-14)17-12-15-9-5-6-10-16(15)18/h5-6,9-10,13-14,17-18H,2-4,7-8,11-12H2,1H3/t13-/m0/s1
Definition date:	2019-05-17
Last modified:	2020-11-13
Release date:	2020-11-18
Identifier:	2-({[(2S)-1-cyclohexylpropan-2-yl]amino}methyl)phenol

WP4

WP4
Name:	(3R)-N-benzylpyrrolidin-3-amine
Formula:	C11 H16 N2
SMILES:	c1cc(ccc1)CNC2CCNC2
InChi:	InChI=1S/C11H16N2/c1-2-4-10(5-3-1)8-13-11-6-7-12-9-11/h1-5,11-13H,6-9H2/t11-/m1/s1
Definition date:	2020-11-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3R)-N-benzylpyrrolidin-3-amine

WQD

WQD
Name:	UDP-4-deoxy-4-formamido-beta-L-arabinopyranose
Formula:	C15 H23 N3 O16 P2
SMILES:	C(OP(OP(O)(=O)OC1C(O)C(O)C(NC=O)CO1)(=O)O)C3C(C(O)C(N2C=CC(NC2=O)=O)O3)O
InChi:	InChI=1S/C15H23N3O16P2/c19-5-16-6-3-30-14(12(24)9(6)21)33-36(28,29)34-35(26,27)31-4-7-10(22)11(23)13(32-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,26,27)(H,28,29)(H,17,20,25)/t6-,7+,9-,10+,11+,12+,13+,14+/m0/s1
Synonyms:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S},5~{S})-5-formamido-3,4-bis(oxidanyl)oxan-2-yl] hydrogen phosphate
Definition date:	2020-11-04
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S)-5-(formylamino)-3,4-dihydroxytetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

WSS

WSS
Name:	tri(methyl)-[2-[[(2~{R})-2-[(~{Z})-octadec-9-enoyl]oxy-3-[(~{E})-1-oxidanylideneoctadec-9-enoxy]propoxy]-oxidanyl-phosphoryl]oxyethyl]azanium
Formula:	C44 H85 N O8 P
SMILES:	C(OP(=O)(O)OCC[N+](C)(C)C)C(COC(=O)CCCCCCC[C@H]=CCCCCCCCC)OC(CCCCCCC[C@H]=CCCCCCCCC)=O
InChi:	InChI=1S/C44H84NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h20-23,42H,6-19,24-41H2,1-5H3/p+1/b22-20+,23-21-/t42-/m1/s1
Definition date:	2020-11-04
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(4R,7R,18E)-4-hydroxy-N,N,N-trimethyl-7-{[(9Z)-octadec-9-enoyl]oxy}-4,10-dioxo-3,5,9-trioxa-4lambda~5~-phosphaheptacos-18-en-1-aminium

VZM

VZM
Name:	N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea
Formula:	C11 H11 N3 O2 S
SMILES:	N(c1cccs1)C(=O)Nc2cnc(cc2)OC
InChi:	InChI=1S/C11H11N3O2S/c1-16-9-5-4-8(7-12-9)13-11(15)14-10-3-2-6-17-10/h2-7H,1H3,(H2,13,14,15)
Definition date:	2020-09-24
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea

VZS

VZS
Name:	N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea
Formula:	C11 H13 N5 O2
SMILES:	N(n1cnnc1)C(=O)Nc2cc(C)ccc2OC
InChi:	InChI=1S/C11H13N5O2/c1-8-3-4-10(18-2)9(5-8)14-11(17)15-16-6-12-13-7-16/h3-7H,1-2H3,(H2,14,15,17)
Definition date:	2020-09-24
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea

WGM

WGM
Name:	(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol
Formula:	C11 H15 F N2 O
SMILES:	n1cccc(c1N2CC(O)C(C)(C2)C)F
InChi:	InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol

WGP

WGP
Name:	N,N-dimethyl-N~2~-phenylglycinamide
Formula:	C10 H14 N2 O
SMILES:	N(CC(N(C)C)=O)c1ccccc1
InChi:	InChI=1S/C10H14N2O/c1-12(2)10(13)8-11-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N,N-dimethyl-N~2~-phenylglycinamide

WGS

WGS
Name:	3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine
Formula:	C11 H15 F N2 O
SMILES:	N(c1c(F)cccn1)CC2CCOCC2
InChi:	InChI=1S/C11H15FN2O/c12-10-2-1-5-13-11(10)14-8-9-3-6-15-7-4-9/h1-2,5,9H,3-4,6-8H2,(H,13,14)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-fluoro-N-[(oxan-4-yl)methyl]pyridin-2-amine

WGV

WGV
Name:	1-(3-phenylprop-2-yn-1-yl)piperidine
Formula:	C14 H17 N
SMILES:	c1ccccc1C#CCN2CCCCC2
InChi:	InChI=1S/C14H17N/c1-3-8-14(9-4-1)10-7-13-15-11-5-2-6-12-15/h1,3-4,8-9H,2,5-6,11-13H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-(3-phenylprop-2-yn-1-yl)piperidine

WH4

WH4
Name:	N-(propan-2-yl)pyridin-3-amine
Formula:	C8 H12 N2
SMILES:	n1cc(ccc1)NC(C)C
InChi:	InChI=1S/C8H12N2/c1-7(2)10-8-4-3-5-9-6-8/h3-7,10H,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(propan-2-yl)pyridin-3-amine

WH7

WH7
Name:	(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol
Formula:	C10 H13 Cl2 N O
SMILES:	c1(c(cccc1Cl)Cl)CNCC(C)O
InChi:	InChI=1S/C10H13Cl2NO/c1-7(14)5-13-6-8-9(11)3-2-4-10(8)12/h2-4,7,13-14H,5-6H2,1H3/t7-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol

WHD

WHD
Name:	4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile
Formula:	C15 H13 F N2
SMILES:	N#Cc2ccc(CNCc1ccc(cc1)F)cc2
InChi:	InChI=1S/C15H13FN2/c16-15-7-5-14(6-8-15)11-18-10-13-3-1-12(9-17)2-4-13/h1-8,18H,10-11H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-({[(4-fluorophenyl)methyl]amino}methyl)benzonitrile

WHG

WHG
Name:	1-[(1,2-oxazol-3-yl)methyl]piperazine
Formula:	C8 H13 N3 O
SMILES:	N2CCN(Cc1ccon1)CC2
InChi:	InChI=1S/C8H13N3O/c1-6-12-10-8(1)7-11-4-2-9-3-5-11/h1,6,9H,2-5,7H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-[(1,2-oxazol-3-yl)methyl]piperazine

WHM

WHM
Name:	2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione
Formula:	C10 H12 F N O2 S
SMILES:	c2(CN1CCCS1(=O)=O)cccc(c2)F
InChi:	InChI=1S/C10H12FNO2S/c11-10-4-1-3-9(7-10)8-12-5-2-6-15(12,13)14/h1,3-4,7H,2,5-6,8H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[(3-fluorophenyl)methyl]-1lambda~6~,2-thiazolidine-1,1-dione

WHP

WHP
Name:	N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide
Formula:	C9 H12 Cl N O2 S
SMILES:	c1cccc(Cl)c1C(NS(=O)(C)=O)C
InChi:	InChI=1S/C9H12ClNO2S/c1-7(11-14(2,12)13)8-5-3-4-6-9(8)10/h3-7,11H,1-2H3/t7-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide

WHS

WHS
Name:	4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine
Formula:	C9 H14 N2 O S
SMILES:	n1c(C)csc1NCC2CCCO2
InChi:	InChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-methyl-N-{[(2R)-oxolan-2-yl]methyl}-1,3-thiazol-2-amine

WHV

WHV
Name:	(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine
Formula:	C8 H14 N2 S
SMILES:	n1c(C)c(C(NC)C)sc1C
InChi:	InChI=1S/C8H14N2S/c1-5(9-4)8-6(2)10-7(3)11-8/h5,9H,1-4H3/t5-/m0/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(1S)-1-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methylethan-1-amine

WHY

WHY
Name:	4-[(dimethylamino)methyl]benzonitrile
Formula:	C10 H12 N2
SMILES:	N#Cc1ccc(CN(C)C)cc1
InChi:	InChI=1S/C10H12N2/c1-12(2)8-10-5-3-9(7-11)4-6-10/h3-6H,8H2,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-[(dimethylamino)methyl]benzonitrile

WJ4

WJ4
Name:	4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine
Formula:	C7 H10 Cl N3 O S
SMILES:	n1c(c(Cl)sn1)CN2CCOCC2
InChi:	InChI=1S/C7H10ClN3OS/c8-7-6(9-10-13-7)5-11-1-3-12-4-2-11/h1-5H2
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	4-[(5-chloro-1,2,3-thiadiazol-4-yl)methyl]morpholine

WJ7

WJ7
Name:	2-bromo-4-fluoro-N,N-dimethylbenzamide
Formula:	C9 H9 Br F N O
SMILES:	c1cc(cc(Br)c1C(N(C)C)=O)F
InChi:	InChI=1S/C9H9BrFNO/c1-12(2)9(13)7-4-3-6(11)5-8(7)10/h3-5H,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-bromo-4-fluoro-N,N-dimethylbenzamide

WJA

WJA
Name:	N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
Formula:	C6 H10 N2 O3 S
SMILES:	n1c(CS(NC)(=O)=O)cc(o1)C
InChi:	InChI=1S/C6H10N2O3S/c1-5-3-6(8-11-5)4-12(9,10)7-2/h3,7H,4H2,1-2H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide

WJG

WJG
Name:	(S)-1-(4-methoxyphenyl)-1-phenylmethanamine
Formula:	C14 H15 N O
SMILES:	c2(C(N)c1ccccc1)ccc(OC)cc2
InChi:	InChI=1S/C14H15NO/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10,14H,15H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(S)-1-(4-methoxyphenyl)-1-phenylmethanamine

WJM

WJM
Name:	2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
Formula:	C11 H15 N3 O3
SMILES:	N1(CCN(CC1)C(=O)c2ccco2)CC(N)=O
InChi:	InChI=1S/C11H15N3O3/c12-10(15)8-13-3-5-14(6-4-13)11(16)9-2-1-7-17-9/h1-2,7H,3-6,8H2,(H2,12,15)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide

WJS

WJS
Name:	(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid
Formula:	C24 H20 N O9 P
SMILES:	[C][C][C][C][C][C][C][C][CH][CH][CH][CH][CH][C][C][C][C]C(=O)OC[CH](O)CO[PH](O)(=O)OC[CH]([NH3])C(O)=O
InChi:	InChI=1S/C24H50NO9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(27)32-18-21(26)19-33-35(30,31)34-20-22(25)24(28)29/h21-22,26,35H,2-20H2,1,25H3,(H,28,29)(H,30,31)/t21-,22+/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2~{S})-2-$l^{4}-azanyl-3-[[(2~{R})-3-octadecanoyloxy-2-oxidanyl-propoxy]-oxidanyl-oxidanylidene-$l^{6}-phosphanyl]oxy-propanoic acid

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