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HJH

HJH
Name:	(2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid
Formula:	C6 H10 N4 O3
SMILES:	Cn1nc(O)c(C[CH](N)C(O)=O)n1
InChi:	InChI=1S/C6H10N4O3/c1-10-8-4(5(11)9-10)2-3(7)6(12)13/h3H,2,7H2,1H3,(H,9,11)(H,12,13)/t3-/m0/s1
Definition date:	2018-12-10
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-2-azanyl-3-(2-methyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid

M3Q

M3Q
Name:	[(quinolin-8-yl)methyl]phosphonic acid
Formula:	C10 H10 N O3 P
SMILES:	C(c1cccc2cccnc12)P(O)(=O)O
InChi:	InChI=1S/C10H10NO3P/c12-15(13,14)7-9-4-1-3-8-5-2-6-11-10(8)9/h1-6H,7H2,(H2,12,13,14)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(quinolin-8-yl)methyl]phosphonic acid

TWB

TWB
Name:	[(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Formula:	C12 H13 O5 P
SMILES:	Cc1c(cc2c(c1)OC(C=C2CP(O)(O)=O)=O)C
InChi:	InChI=1S/C12H13O5P/c1-7-3-10-9(6-18(14,15)16)5-12(13)17-11(10)4-8(7)2/h3-5H,6H2,1-2H3,(H2,14,15,16)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(6,7-dimethyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid

HQ5

HQ5
Name:	5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine
Formula:	C15 H25 N5 O8 S
SMILES:	CC(C)C[CH](N)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)N
InChi:	InChI=1S/C15H25N5O8S/c1-7(2)5-8(16)13(23)19-29(25,26)27-6-9-11(21)12(22)14(28-9)20-4-3-10(17)18-15(20)24/h3-4,7-9,11-12,14,21-22H,5-6,16H2,1-2H3,(H,19,23)(H2,17,18,24)/t8-,9+,11+,12+,14+/m0/s1
Definition date:	2018-12-14
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-4-methyl-pentanoyl]sulfamate

HZD

HZD
Name:	4-[(3-{2,16-dioxo-20-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium
Formula:	C38 H50 N6 O6 S2
SMILES:	C(NCCOCCOCCOCCNC(CCCCC1SCC2NC(=O)NC12)=O)(C[n+]6c(Cc3cc[n+](C)c4c3cccc4)sc5c6cccc5)=O
InChi:	InChI=1S/C38H48N6O6S2/c1-43-17-14-27(28-8-2-3-9-30(28)43)24-36-44(31-10-4-5-11-32(31)52-36)25-35(46)40-16-19-49-21-23-50-22-20-48-18-15-39-34(45)13-7-6-12-33-37-29(26-51-33)41-38(47)42-37/h2-5,8-11,14,17,29,33,37H,6-7,12-13,15-16,18-26H2,1H3,(H2-2,39,40,41,42,45,46,47)/p+2/t29-,33-,37-/m1/s1
Definition date:	2018-07-31
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	4-[(3-{2,16-dioxo-20-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-6,9,12-trioxa-3,15-diazaicosan-1-yl}-1,3-benzothiazol-3-ium-2-yl)methyl]-1-methylquinolin-1-ium

HZG

HZG
Name:	1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium
Formula:	C21 H20 N2 O S
SMILES:	c3cc(Cc1[n+](CC(C)=O)c2c(s1)cccc2)c4c([n+]3C)cccc4
InChi:	InChI=1S/C21H20N2OS/c1-15(24)14-23-19-9-5-6-10-20(19)25-21(23)13-16-11-12-22(2)18-8-4-3-7-17(16)18/h3-12H,13-14H2,1-2H3/q+2
Definition date:	2018-07-31
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	1-methyl-4-{[3-(2-oxopropyl)-1,3-benzothiazol-3-ium-2-yl]methyl}quinolin-1-ium

J0K

J0K
Name:	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
Formula:	C24 H29 Cl Ir N3 O4 S
SMILES:	CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCN([Ir]Cl)C(=O)c3cc(O)ccn3)cc2
InChi:	InChI=1S/C14H15N3O4S.C10H15.ClH.Ir/c15-22(20,21)12-3-1-10(2-4-12)5-7-17-14(19)13-9-11(18)6-8-16-13
Definition date:	2019-01-10
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-4-oxidanyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide

J0N

J0N
Name:	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide
Formula:	C24 H29 Cl Ir N3 O3 S
SMILES:	CC1C(C)C(C)C(C)C1C.N[S](=O)(=O)c2ccc(CCN([Ir]Cl)C(=O)c3ccccn3)cc2
InChi:	InChI=1S/C14H15N3O3S.C10H15.ClH.Ir/c15-21(19,20)12-6-4-11(5-7-12)8-10-17-14(18)13-3-1-2-9-16-13
Definition date:	2019-01-10
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	4-[2-(9-chloranyl-2',3',4',5',6'-pentamethyl-7-oxidanylidene-spiro[1$l^{4},8-diaza-9$l^{8}-iridabicyclo[4.3.0]nona-1(6),2,4-triene-9,1'-1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane]-8-yl)ethyl]benzenesulfonamide

J6E

J6E
Name:	~{N}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide
Formula:	C21 H23 F N6 O2
SMILES:	Fc1ccc(NC(=O)N2CCCC2)cc1c3ccn4c(cnc4n3)N5CCOCC5
InChi:	InChI=1S/C21H23FN6O2/c22-17-4-3-15(24-21(29)27-6-1-2-7-27)13-16(17)18-5-8-28-19(14-23-20(28)25-18)26-9-11-30-12-10-26/h3-5,8,13-14H,1-2,6-7,9-12H2,(H,24,29)
Definition date:	2019-02-01
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	~{N}-[4-fluoranyl-3-(3-morpholin-4-ylimidazo[1,2-a]pyrimidin-7-yl)phenyl]pyrrolidine-1-carboxamide

J84

J84
Name:	1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine
Formula:	C10 H7 Cl2 N7
SMILES:	c1(nnnn1)c3cnn(c2ccc(cc2Cl)Cl)c3N
InChi:	InChI=1S/C10H7Cl2N7/c11-5-1-2-8(7(12)3-5)19-9(13)6(4-14-19)10-15-17-18-16-10/h1-4H,13H2,(H,15,16,17,18)
Definition date:	2018-08-21
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	1-(2,4-dichlorophenyl)-4-(1H-tetrazol-5-yl)-1H-pyrazol-5-amine

J8S

J8S
Name:	(4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone
Formula:	C21 H25 N O2 S
SMILES:	c1c(SC)ccc(c1OC)C(N3CCC(Cc2ccccc2)CC3)=O
InChi:	InChI=1S/C21H25NO2S/c1-24-20-15-18(25-2)8-9-19(20)21(23)22-12-10-17(11-13-22)14-16-6-4-3-5-7-16/h3-9,15,17H,10-14H2,1-2H3
Definition date:	2018-08-23
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(4-benzylpiperidin-1-yl)[2-methoxy-4-(methylsulfanyl)phenyl]methanone

J9G

J9G
Name:	3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one
Formula:	C19 H14 F2 N4 O
SMILES:	c4c(Nc1cnc2c(c1)NC(N2Cc3ccccc3)=O)c(cc(c4)F)F
InChi:	InChI=1S/C19H14F2N4O/c20-13-6-7-16(15(21)8-13)23-14-9-17-18(22-10-14)25(19(26)24-17)11-12-4-2-1-3-5-12/h1-10,23H,11H2,(H,24,26)
Definition date:	2018-08-24
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	3-benzyl-6-[(2,4-difluorophenyl)amino]-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

9TF

9TF
Name:	Purpurin
Formula:	C14 H8 O5
SMILES:	c2cc1C(c3c(c(cc(c3C(c1cc2)=O)O)O)O)=O
InChi:	InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
Definition date:	2018-07-27
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	1,2,4-trihydroxyanthracene-9,10-dione

9TR

9TR
Name:	N6-{[(3-azidophenyl)methoxy]carbonyl}-L-lysine
Formula:	C14 H19 N5 O4
SMILES:	c1(COC(NCCCCC(C(=O)O)N)=O)cc(ccc1)N=[N+]=[N-]
InChi:	InChI=1S/C14H19N5O4/c15-12(13(20)21)6-1-2-7-17-14(22)23-9-10-4-3-5-11(8-10)18-19-16/h3-5,8,12H,1-2,6-7,9,15H2,(H,17,22)(H,20,21)/t12-/m0/s1
Definition date:	2018-07-31
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-{[(3-azidophenyl)methoxy]carbonyl}-L-lysine

9TU

9TU
Name:	N6-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine
Formula:	C16 H19 F3 N4 O4
SMILES:	c2(cc(C1(N=N1)C(F)(F)F)ccc2)COC(=O)NCCCCC(N)C(O)=O
InChi:	InChI=1S/C16H19F3N4O4/c17-16(18,19)15(22-23-15)11-5-3-4-10(8-11)9-27-14(26)21-7-2-1-6-12(20)13(24)25/h3-5,8,12H,1-2,6-7,9,20H2,(H,21,26)(H,24,25)/t12-/m0/s1
Definition date:	2018-07-31
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-[({3-[3-(trifluoromethyl)-3H-diaziren-3-yl]phenyl}methoxy)carbonyl]-L-lysine

9TX

9TX
Name:	N6-{[(3-ethynylphenyl)methoxy]carbonyl}-L-lysine
Formula:	C16 H20 N2 O4
SMILES:	c1(cc(C#C)ccc1)COC(NCCCCC(C(=O)O)N)=O
InChi:	InChI=1S/C16H20N2O4/c1-2-12-6-5-7-13(10-12)11-22-16(21)18-9-4-3-8-14(17)15(19)20/h1,5-7,10,14H,3-4,8-9,11,17H2,(H,18,21)(H,19,20)/t14-/m0/s1
Definition date:	2018-07-31
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-{[(3-ethynylphenyl)methoxy]carbonyl}-L-lysine

9U0

9U0
Name:	N6-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine
Formula:	C15 H26 N2 O4
SMILES:	C=1C(CCCCCC=1)OC(NCCCCC(C(O)=O)N)=O
InChi:	InChI=1S/C15H26N2O4/c16-13(14(18)19)10-6-7-11-17-15(20)21-12-8-4-2-1-3-5-9-12/h4,8,12-13H,1-3,5-7,9-11,16H2,(H,17,20)(H,18,19)/t12-,13+/m1/s1
Definition date:	2018-07-31
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-({[(1S,2E)-cyclooct-2-en-1-yl]oxy}carbonyl)-L-lysine

9U6

9U6
Name:	3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-L-alanine
Formula:	C13 H18 N2 O4 Se
SMILES:	c1(COC(=O)NCC[Se]CC(C(O)=O)N)ccccc1
InChi:	InChI=1S/C13H18N2O4Se/c14-11(12(16)17)9-20-7-6-15-13(18)19-8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1
Definition date:	2018-08-01
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-L-alanine

9U9

9U9
Name:	N6-({[(1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-L-lysine
Formula:	C17 H26 N2 O4
SMILES:	C1(C2CCC#CCCC12)COC(NCCCCC(C(O)=O)N)=O
InChi:	InChI=1S/C17H26N2O4/c18-15(16(20)21)9-5-6-10-19-17(22)23-11-14-12-7-3-1-2-4-8-13(12)14/h12-15H,3-11,18H2,(H,19,22)(H,20,21)/t12-,13+,14-,15-/m0/s1
Definition date:	2018-08-01
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-({[(1R,8S,9s)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)-L-lysine

9UC

9UC
Name:	N6-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine
Formula:	C14 H19 N3 O6
SMILES:	c1(COC(=O)NCCCCC(C(O)=O)N)ccc(cc1)[N+]([O-])=O
InChi:	InChI=1S/C14H19N3O6/c15-12(13(18)19)3-1-2-8-16-14(20)23-9-10-4-6-11(7-5-10)17(21)22/h4-7,12H,1-3,8-9,15H2,(H,16,20)(H,18,19)/t12-/m0/s1
Definition date:	2018-08-01
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-{[(4-nitrophenyl)methoxy]carbonyl}-L-lysine

9UF

9UF
Name:	N6-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-L-lysine
Formula:	C13 H20 N4 O4
SMILES:	c1(cnc(cc1)N)COC(NCCCCC(C(O)=O)N)=O
InChi:	InChI=1S/C13H20N4O4/c14-10(12(18)19)3-1-2-6-16-13(20)21-8-9-4-5-11(15)17-7-9/h4-5,7,10H,1-3,6,8,14H2,(H2,15,17)(H,16,20)(H,18,19)/t10-/m0/s1
Definition date:	2018-08-02
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	N~6~-{[(6-aminopyridin-3-yl)methoxy]carbonyl}-L-lysine

9V0

9V0
Name:	(2S)-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid
Formula:	C14 H19 N5 O4
SMILES:	N[CH](CCCCNC(=O)OCc1ccccc1N=[N+]=[N-])C(O)=O
InChi:	InChI=1S/C14H19N5O4/c15-11(13(20)21)6-3-4-8-17-14(22)23-9-10-5-1-2-7-12(10)18-19-16/h1-2,5,7,11H,3-4,6,8-9,15H2,(H,17,22)(H,20,21)/t11-/m0/s1
Definition date:	2018-08-16
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-2-azanyl-6-[(2-azidophenyl)methoxycarbonylamino]hexanoic acid

9V6

9V6
Name:	(2S)-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid
Formula:	C14 H19 Cl N2 O4
SMILES:	N[CH](CCCCNC(=O)OCc1ccccc1Cl)C(O)=O
InChi:	InChI=1S/C14H19ClN2O4/c15-11-6-2-1-5-10(11)9-21-14(20)17-8-4-3-7-12(16)13(18)19/h1-2,5-6,12H,3-4,7-9,16H2,(H,17,20)(H,18,19)/t12-/m0/s1
Definition date:	2018-08-16
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-2-azanyl-6-[(2-chlorophenyl)methoxycarbonylamino]hexanoic acid

9VC

9VC
Name:	(2S)-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid
Formula:	C14 H20 N2 O4
SMILES:	N[CH](CCCCNC(=O)OCc1ccccc1)C(O)=O
InChi:	InChI=1S/C14H20N2O4/c15-12(13(17)18)8-4-5-9-16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)/t12-/m0/s1
Definition date:	2018-08-16
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-2-azanyl-6-(phenylmethoxycarbonylamino)hexanoic acid

9VF

9VF
Name:	(2S)-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid
Formula:	C11 H24 N2 O4 Si
SMILES:	C[Si](C)(C)COC(=O)NCCCC[CH](N)C(O)=O
InChi:	InChI=1S/C11H24N2O4Si/c1-18(2,3)8-17-11(16)13-7-5-4-6-9(12)10(14)15/h9H,4-8,12H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1
Definition date:	2018-08-16
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-2-azanyl-6-(trimethylsilylmethoxycarbonylamino)hexanoic acid

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