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WN7

WN7
Name:	5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine
Formula:	C12 H13 N3
SMILES:	c2c(CNc1cc(C)cnc1)ccnc2
InChi:	InChI=1S/C12H13N3/c1-10-6-12(9-14-7-10)15-8-11-2-4-13-5-3-11/h2-7,9,15H,8H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	5-methyl-N-[(pyridin-4-yl)methyl]pyridin-3-amine

WNA

WNA
Name:	1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine
Formula:	C10 H13 N5
SMILES:	c2(NCc1c(C)cccc1)nnnn2C
InChi:	InChI=1S/C10H13N5/c1-8-5-3-4-6-9(8)7-11-10-12-13-14-15(10)2/h3-6H,7H2,1-2H3,(H,11,12,14)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine

WNG

WNG
Name:	N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine
Formula:	C15 H13 N3
SMILES:	c2(nc1c(cccc1)n2)N[C@H]=Cc3ccccc3
InChi:	InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-11H,(H2,16,17,18)/b11-10-
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine

WNM

WNM
Name:	(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine
Formula:	C10 H14 N2 O2 S
SMILES:	c2(S(N1CCC(N)C1)(=O)=O)ccccc2
InChi:	InChI=1S/C10H14N2O2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2/t9-/m0/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine

WNP

WNP
Name:	N-(3-chlorophenyl)-2,2,2-trifluoroacetamide
Formula:	C8 H5 Cl F3 N O
SMILES:	c1cc(NC(C(F)(F)F)=O)cc(c1)Cl
InChi:	InChI=1S/C8H5ClF3NO/c9-5-2-1-3-6(4-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N-(3-chlorophenyl)-2,2,2-trifluoroacetamide

WNY

WNY
Name:	1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one
Formula:	C12 H15 Cl N2 O
SMILES:	c2(N1CCN(C(C)=O)CC1)ccc(cc2)Cl
InChi:	InChI=1S/C12H15ClN2O/c1-10(16)14-6-8-15(9-7-14)12-4-2-11(13)3-5-12/h2-5H,6-9H2,1H3
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-[4-(4-chlorophenyl)piperazin-1-yl]ethan-1-one

WO1

WO1
Name:	(3R)-1-methylpiperidin-3-yl furan-2-carboxylate
Formula:	C11 H15 N O3
SMILES:	c2cc(C(=O)OC1CCCN(C)C1)oc2
InChi:	InChI=1S/C11H15NO3/c1-12-6-2-4-9(8-12)15-11(13)10-5-3-7-14-10/h3,5,7,9H,2,4,6,8H2,1H3/t9-/m1/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3R)-1-methylpiperidin-3-yl furan-2-carboxylate

WOA

WOA
Name:	(3S)-3-(methylamino)-1-phenylpiperidin-2-one
Formula:	C12 H16 N2 O
SMILES:	c2(N1CCCC(NC)C1=O)ccccc2
InChi:	InChI=1S/C12H16N2O/c1-13-11-8-5-9-14(12(11)15)10-6-3-2-4-7-10/h2-4,6-7,11,13H,5,8-9H2,1H3/t11-/m0/s1
Definition date:	2020-10-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(3S)-3-(methylamino)-1-phenylpiperidin-2-one

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

E0O

E0O
Name:	2-(4-chloranylphenoxy)-2-methyl-propanoic acid
Formula:	C10 H11 Cl O3
SMILES:	CC(C)(Oc1ccc(Cl)cc1)C(O)=O
InChi:	InChI=1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13)
Definition date:	2019-09-30
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-(4-chloranylphenoxy)-2-methyl-propanoic acid

EA6

EA6
Name:	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
Formula:	C14 H19 Cl F N5 O2
SMILES:	CC1(C)N=C(N)N=C(N)N1OCCCOc2ccc(F)cc2Cl
InChi:	InChI=1S/C14H19ClFN5O2/c1-14(2)20-12(17)19-13(18)21(14)23-7-3-6-22-11-5-4-9(16)8-10(11)15/h4-5,8H,3,6-7H2,1-2H3,(H4,17,18,19,20)
Definition date:	2019-11-28
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine

H3U

H3U
Name:	8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid
Formula:	C25 H21 N3 O11 S3
SMILES:	Cc1ccc(cc1NC(=O)c2cccc(N)c2)C(=O)Nc3ccc(c4cc(cc(c34)[S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O
InChi:	InChI=1S/C25H21N3O11S3/c1-13-5-6-15(10-20(13)28-24(29)14-3-2-4-16(26)9-14)25(30)27-19-7-8-21(41(34,35)36)18-11-17(40(31,32)33)12-22(23(18)19)42(37,38)39/h2-12H,26H2,1H3,(H,27,30)(H,28,29)(H,31,32,33)(H,34,35,36)(H,37,38,39)
Definition date:	2020-11-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	8-[[3-[(3-aminophenyl)carbonylamino]-4-methyl-phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

N47

N47
Name:	N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine
Formula:	C20 H29 N5 O2
SMILES:	N(c3nc(Nc2cc(OCCCN1CCCC1)c(OC)cc2)nc(C)c3)C
InChi:	InChI=1S/C20H29N5O2/c1-15-13-19(21-2)24-20(22-15)23-16-7-8-17(26-3)18(14-16)27-12-6-11-25-9-4-5-10-25/h7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,22,23,24)
Definition date:	2019-05-02
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	N~2~-{4-methoxy-3-[3-(pyrrolidin-1-yl)propoxy]phenyl}-N~4~,6-dimethylpyrimidine-2,4-diamine

EWL

EWL
Name:	6-azanyl-2-butoxy-9-(phenylmethyl)-7H-purin-8-one
Formula:	C16 H19 N5 O2
SMILES:	CCCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1
InChi:	InChI=1S/C16H19N5O2/c1-2-3-9-23-15-19-13(17)12-14(20-15)21(16(22)18-12)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,18,22)(H2,17,19,20)
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	6-azanyl-2-butoxy-9-(phenylmethyl)-7~{H}-purin-8-one

EWR

EWR
Name:	(2S)-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid
Formula:	C25 H29 N O4 S
SMILES:	CCO[CH](Cc1ccc(OCCn2c(C)ccc2c3ccc(SC)cc3)cc1)C(O)=O
InChi:	InChI=1S/C25H29NO4S/c1-4-29-24(25(27)28)17-19-6-10-21(11-7-19)30-16-15-26-18(2)5-14-23(26)20-8-12-22(31-3)13-9-20/h5-14,24H,4,15-17H2,1-3H3,(H,27,28)/t24-/m0/s1
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	(2~{S})-2-ethoxy-3-[4-[2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethoxy]phenyl]propanoic acid

EWU

EWU
Name:	6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7H-purin-8-one
Formula:	C15 H17 N5 O3
SMILES:	COCCOc1nc(N)c2NC(=O)N(Cc3ccccc3)c2n1
InChi:	InChI=1S/C15H17N5O3/c1-22-7-8-23-14-18-12(16)11-13(19-14)20(15(21)17-11)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,17,21)(H2,16,18,19)
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	6-azanyl-2-(2-methoxyethoxy)-9-(phenylmethyl)-7~{H}-purin-8-one

EWX

EWX
Name:	6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7H-purin-8-one
Formula:	C14 H16 N6 O3
SMILES:	COCCOc1nc(N)c2NC(=O)N(Cc3cccnc3)c2n1
InChi:	InChI=1S/C14H16N6O3/c1-22-5-6-23-13-18-11(15)10-12(19-13)20(14(21)17-10)8-9-3-2-4-16-7-9/h2-4,7H,5-6,8H2,1H3,(H,17,21)(H2,15,18,19)
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	6-azanyl-2-(2-methoxyethoxy)-9-(pyridin-3-ylmethyl)-7~{H}-purin-8-one

EX0

EX0
Name:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine
Formula:	C26 H29 F N8 O
SMILES:	CCOc1nc(N)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6
InChi:	InChI=1S/C26H29FN8O/c1-3-36-26-31-23(28)22-25(32-26)35(24(30-22)18-8-19(27)11-29-10-18)13-17-6-4-16(5-7-17)12-34-15-20-9-21(34)14-33(20)2/h4-8,10-11,20-21H,3,9,12-15H2,1-2H3,(H2,28,31,32)/t20-,21-/m0/s1
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purin-6-amine

EX3

EX3
Name:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine
Formula:	C27 H30 F N7 O
SMILES:	CCOc1nc(C)c2nc(n(Cc3ccc(CN4C[CH]5C[CH]4CN5C)cc3)c2n1)c6cncc(F)c6
InChi:	InChI=1S/C27H30FN7O/c1-4-36-27-30-17(2)24-26(32-27)35(25(31-24)20-9-21(28)12-29-11-20)14-19-7-5-18(6-8-19)13-34-16-22-10-23(34)15-33(22)3/h5-9,11-12,22-23H,4,10,13-16H2,1-3H3/t22-,23-/m0/s1
Definition date:	2020-02-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-ethoxy-8-(5-fluoranylpyridin-3-yl)-6-methyl-9-[[4-[[(1~{S},4~{S})-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]phenyl]methyl]purine

F5A

F5A
Name:	2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid
Formula:	C17 H15 Cl O4
SMILES:	C(C(=O)O)(C)(C)Oc1ccc(cc1)C(c2ccc(cc2)Cl)=O
InChi:	InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10H,1-2H3,(H,20,21)
Definition date:	2019-01-23
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	2-[4-(4-chlorobenzene-1-carbonyl)phenoxy]-2-methylpropanoic acid

F80

F80
Name:	N2-[4-methoxy-3-(2,3,4,7-tetrahydro-1H-azepin-5-yl)phenyl]-N4,6-dimethyl-pyrimidine-2,4-diamine
Formula:	C19 H25 N5 O
SMILES:	CNc1cc(C)nc(Nc2ccc(OC)c(c2)C3=CCNCCC3)n1
InChi:	InChI=1S/C19H25N5O/c1-13-11-18(20-2)24-19(22-13)23-15-6-7-17(25-3)16(12-15)14-5-4-9-21-10-8-14/h6-8,11-12,21H,4-5,9-10H2,1-3H3,(H2,20,22,23,24)
Definition date:	2020-04-08
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	~{N}2-[4-methoxy-3-(2,3,4,7-tetrahydro-1~{H}-azepin-5-yl)phenyl]-~{N}4,6-dimethyl-pyrimidine-2,4-diamine

QKJ

QKJ
Name:	3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid
Formula:	C18 H24 N4 O4
SMILES:	c1ccc(CCC(=O)O)cc1OCCCOc2c(CC)nc(nc2N)N
InChi:	InChI=1S/C18H24N4O4/c1-2-14-16(17(19)22-18(20)21-14)26-10-4-9-25-13-6-3-5-12(11-13)7-8-15(23)24/h3,5-6,11H,2,4,7-10H2,1H3,(H,23,24)(H4,19,20,21,22)
Definition date:	2019-11-06
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	3-(3-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)propanoic acid

QR2

QR2
Name:	5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one
Formula:	C9 H4 Cl F3 N2 O2
SMILES:	FC(F)(F)c1cc(ccc1Cl)C2=NNC(=O)O2
InChi:	InChI=1S/C9H4ClF3N2O2/c10-6-2-1-4(3-5(6)9(11,12)13)7-14-15-8(16)17-7/h1-3H,(H,15,16)
Definition date:	2020-07-24
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	5-[4-chloranyl-3-(trifluoromethyl)phenyl]-3~{H}-1,3,4-oxadiazol-2-one

RFT

RFT
Name:	butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate
Formula:	C15 H24 N2 O3 S3
SMILES:	C(C(SC(SCCCC)=S)(C)C)(NCCN1C(CCC1=O)=O)=O
InChi:	InChI=1S/C15H24N2O3S3/c1-4-5-10-22-14(21)23-15(2,3)13(20)16-8-9-17-11(18)6-7-12(17)19/h4-10H2,1-3H3,(H,16,20)
Definition date:	2020-05-13
Last modified:	2020-11-06
Release date:	2020-11-11
Identifier:	butyl 1-{[2-(2,5-dioxopyrrolidin-1-yl)ethyl]amino}-2-methyl-1-oxopropan-2-yl carbonotrithioate

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