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JDY

JDY
Name:	(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate
Formula:	C33 H41 F N4 O7 S2
SMILES:	C21OCC3C(C(CO1)C2C3)OC(NC(C(CN(CC(C)C)S(c4cc5c(cc4)nc(s5)NC6CC6)(=O)=O)O)Cc7cccc(c7)F)=O
InChi:	InChI=1S/C33H41FN4O7S2/c1-18(2)14-38(47(41,42)23-8-9-26-29(13-23)46-32(36-26)35-22-6-7-22)15-28(39)27(11-19-4-3-5-21(34)10-19)37-33(40)45-30-20-12-24-25(30)17-44-31(24)43-16-20/h3-5,8-10,13,18,20,22,24-25,27-28,30-31,39H,6-7,11-12,14-17H2,1-2H3,(H,35,36)(H,37,40)/t20-,24-,25-,27+,28-,30+,31+/m1/s1
Definition date:	2018-09-05
Last modified:	2019-04-19
Release date:	2019-04-24
Identifier:	(3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl [(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3-fluorophenyl)-3-hydroxybutan-2-yl]carbamate

JKW

JKW
Name:	2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one
Formula:	C21 H23 F3 N4 O2 S2
SMILES:	CN1CCC(CC1)CNC2=NC(=O)C(=[SH]2)Cc3csc(n3)c4ccc(OC(F)(F)F)cc4
InChi:	InChI=1S/C21H23F3N4O2S2/c1-28-8-6-13(7-9-28)11-25-20-27-18(29)17(32-20)10-15-12-31-19(26-15)14-2-4-16(5-3-14)30-21(22,23)24/h2-5,12-13,32H,6-11H2,1H3,(H,25,27,29)
Definition date:	2019-03-08
Last modified:	2019-04-19
Release date:	2019-04-24
Identifier:	2-[(1-methylpiperidin-4-yl)methylamino]-5-[[2-[4-(trifluoromethyloxy)phenyl]-1,3-thiazol-4-yl]methyl]-1,3-thiazol-4-one

EQQ

EQQ
Name:	Ruthenium (bis-(tetraazaphenanthrene)) (11,12-dicyano-dipyridophenazine)
Formula:	C40 H20 N14 Ru
SMILES:	[Ru].N#Cc1cc2nc3c4cccnc4c5ncccc5c3nc2cc1C#N.c6cnc7c(ccc8nccnc78)n6.c9cnc%10c(ccc%11nccnc%10%11)n9
InChi:	InChI=1S/C20H8N6.2C10H6N4.Ru/c21-9-11-7-15-16(8-12(11)10-22)26-20-14-4-2-6-24-18(14)17-13(19(20)25-15)3-1-5-23-17
Definition date:	2018-04-10
Last modified:	2019-04-19
Release date:	2019-04-24

EU5

EU5
Name:	(2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{S})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide
Formula:	C26 H36 Cl N7 O4 S
SMILES:	NCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)[CH](CCCNC(N)=N)N[S](=O)(=O)Cc3ccccc3
InChi:	InChI=1S/C26H36ClN7O4S/c27-21-11-10-19(15-28)20(14-21)16-32-24(35)23-9-5-13-34(23)25(36)22(8-4-12-31-26(29)30)33-39(37,38)17-18-6-2-1-3-7-18/h1-3,6-7,10-11,14,22-23,33H,4-5,8-9,12-13,15-17,28H2,(H,32,35)(H4,29,30,31)/t22-,23-/m0/s1
Definition date:	2018-04-16
Last modified:	2019-04-19
Release date:	2019-04-24
Identifier:	(2~{S})-~{N}-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2~{S})-5-carbamimidamido-2-[(phenylmethyl)sulfonylamino]pentanoyl]pyrrolidine-2-carboxamide

CHL

CHL
Name:	CHLOROPHYLL B
Formula:	C55 H70 Mg N4 O6
SMILES:	CCC1=C(C=O)C2=Cc3n4c(C=C5[CH](C)[CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C6=[N+]5[Mg]47[N]8C(=CC1=[N+]27)C(=C9C(=O)[CH](C(=O)OC)C6=C89)C)c(C)c3C=C
InChi:	InChI=1S/C55H71N4O6.Mg/c1-12-38-35(8)42-27-43-36(9)40(23-24-48(61)65-26-25-34(7)22-16-21-33(6)20-15-19-32(5)18-14-17-31(3)4)52(58-43)50-51(55(63)64-11)54(62)49-37(10)44(59-53(49)50)28-46-39(13-2)41(30-60)47(57-46)29-45(38)56-42
Definition date:	1999-07-08
Last modified:	2019-04-16

04U

04U
Name:	azanylidene-[(3S,5S)-5-carboxypyrrolidin-3-yl]imino-azanium
Formula:	C5 H9 N4 O2
SMILES:	O=C(O)C1NCC(/N=[N+]=[N@H])C1
InChi:	InChI=1S/C5H8N4O2/c6-9-8-3-1-4(5(10)11)7-2-3/h3-4,6-7H,1-2H2/p+1/t3-,4-/m0/s1
Definition date:	2012-10-02
Last modified:	2019-04-14
Release date:	2013-03-13
Identifier:	(4S)-4-triaza-1,2-dien-2-ium-1-yl-L-proline

04V

04V
Name:	(2S)-pyrrolidine-2-carboximidic acid
Formula:	C5 H10 N2 O
SMILES:	[N@H]=C(O)C1NCCC1
InChi:	InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/t4-/m0/s1
Definition date:	2012-10-02
Last modified:	2019-04-14
Release date:	2013-03-13
Identifier:	(2S)-pyrrolidine-2-carboximidic acid

HJ8

HJ8
Name:	(2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid
Formula:	C7 H12 N4 O3
SMILES:	CCn1nnc(O)c1C[CH](N)C(O)=O
InChi:	InChI=1S/C7H12N4O3/c1-2-11-5(6(12)9-10-11)3-4(8)7(13)14/h4,12H,2-3,8H2,1H3,(H,13,14)/t4-/m0/s1
Definition date:	2018-12-07
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	(2~{S})-2-azanyl-3-(3-ethyl-5-oxidanyl-1,2,3-triazol-4-yl)propanoic acid

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

YSC

YSC
Name:	[(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-3-(4-hydroxyphenyl)propanoyl]sulfamate
Formula:	C18 H23 N5 O9 S
SMILES:	N[CH](Cc1ccc(O)cc1)C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=NC3=O)N
InChi:	InChI=1S/C18H23N5O9S/c19-11(7-9-1-3-10(24)4-2-9)16(27)22-33(29,30)31-8-12-14(25)15(26)17(32-12)23-6-5-13(20)21-18(23)28/h1-6,11-12,14-15,17,24-26H,7-8,19H2,(H,22,27)(H2,20,21,28)/t11-,12+,14+,15+,17+/m0/s1
Definition date:	2018-08-13
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-3-(4-hydroxyphenyl)propanoyl]sulfamate

VKE

VKE
Name:	[(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid
Formula:	C11 H9 O7 P
SMILES:	C(P(=O)(O)O)C1=CC(=O)Oc2c1cc3c(c2)OCO3
InChi:	InChI=1S/C11H9O7P/c12-11-1-6(4-19(13,14)15)7-2-9-10(17-5-16-9)3-8(7)18-11/h1-3H,4-5H2,(H2,13,14,15)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(6-oxo-2H,6H-[1,3]dioxolo[4,5-g][1]benzopyran-8-yl)methyl]phosphonic acid

YSU

YSU
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
Formula:	C18 H22 N4 O10 S
SMILES:	N[CH](Cc1ccc(O)cc1)C(=O)N[S](=O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
InChi:	InChI=1S/C18H22N4O10S/c19-11(7-9-1-3-10(23)4-2-9)16(27)21-33(29,30)31-8-12-14(25)15(26)17(32-12)22-6-5-13(24)20-18(22)28/h1-6,11-12,14-15,17,23,25-26H,7-8,19H2,(H,21,27)(H,20,24,28)/t11-,12+,14+,15+,17+/m0/s1
Definition date:	2018-08-10
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate

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

XJE

XJE
Name:	[(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Formula:	C12 H13 O6 P
SMILES:	COc1c2c(cc(c1)C)OC(=O)C=C2CP(O)(=O)O
InChi:	InChI=1S/C12H13O6P/c1-7-3-9(17-2)12-8(6-19(14,15)16)5-11(13)18-10(12)4-7/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:	[(5-methoxy-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid

YKG

YKG
Name:	[(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
Formula:	C11 H10 Br O5 P
SMILES:	Cc2cc(Br)c1C(CP(=O)(O)O)=CC(=O)Oc1c2
InChi:	InChI=1S/C11H10BrO5P/c1-6-2-8(12)11-7(5-18(14,15)16)4-10(13)17-9(11)3-6/h2-4H,5H2,1H3,(H2,14,15,16)
Definition date:	2018-04-17
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(5-bromo-7-methyl-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid

Y3U

Y3U
Name:	[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate
Formula:	C19 H24 N4 O10 S
SMILES:	CN1C(=O)C=CN([CH]2O[CH](CO[S](=O)(=O)NC(=O)[CH](N)Cc3ccc(O)cc3)[CH](O)[CH]2O)C1=O
InChi:	InChI=1S/C19H24N4O10S/c1-22-14(25)6-7-23(19(22)29)18-16(27)15(26)13(33-18)9-32-34(30,31)21-17(28)12(20)8-10-2-4-11(24)5-3-10/h2-7,12-13,15-16,18,24,26-27H,8-9,20H2,1H3,(H,21,28)/t12-,13+,15+,16+,18+/m0/s1
Definition date:	2018-08-10
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	[(2~{R},3~{S},4~{R},5~{R})-5-[3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propanoyl]sulfamate

FYS

FYS
Name:	4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol
Formula:	C22 H22 O3
SMILES:	CCC(c1ccc(O)cc1)C(c2ccc(O)cc2)c3ccc(cc3)O
InChi:	InChI=1S/C22H22O3/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17/h3-14,21-25H,2H2,1H3/t21-/m0/s1
Definition date:	2018-04-25
Last modified:	2019-04-12
Release date:	2019-04-17
Identifier:	4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol

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

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224004

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