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YK0

YK0
Name:	N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide
Formula:	C24 H21 F3 N4 O3
SMILES:	FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)c1ccc(CO)cc1
InChi:	InChI=1S/C24H21F3N4O3/c1-23(2,34)17-11-19-15(12-31(30-19)16-8-6-14(13-32)7-9-16)10-20(17)29-22(33)18-4-3-5-21(28-18)24(25,26)27/h3-12,32,34H,13H2,1-2H3,(H,29,33)
Definition date:	2023-12-04
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	N-{2-[4-(hydroxymethyl)phenyl]-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl}-6-(trifluoromethyl)pyridine-2-carboxamide

X6I

X6I
Name:	S-{2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethyl}-L-cysteine
Formula:	C13 H20 N3 O7 P S
SMILES:	Oc1c(/C=N/CCSCC(N)C(=O)O)c(cnc1C)COP(=O)(O)O
InChi:	InChI=1S/C13H20N3O7PS/c1-8-12(17)10(9(4-16-8)6-23-24(20,21)22)5-15-2-3-25-7-11(14)13(18)19/h4-5,11,17H,2-3,6-7,14H2,1H3,(H,18,19)(H2,20,21,22)/b15-5+/t11-/m0/s1
Definition date:	2023-06-02
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	S-{2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]ethyl}-L-cysteine

ZS9

ZS9
Name:	dehydrocostus lactone, bound form
Formula:	C15 H20 O2
SMILES:	C=C1CCC2C(C)C(=O)OC2C2C1CCC2=C
InChi:	InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h10-14H,1-2,4-7H2,3H3/t10-,11-,12+,13-,14+/m0/s1
Definition date:	2023-07-03
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(3S,3aR,6aR,9aR,9bR)-3-methyl-6,9-dimethylidenedecahydroazuleno[4,5-b]furan-2(3H)-one

V00

V00
Name:	~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide
Formula:	C26 H29 F N2 O2
SMILES:	COc1cc2ccccc2c(c1)[CH](C)N3CCC(CC3)C(=O)NCc4cccc(F)c4
InChi:	InChI=1S/C26H29FN2O2/c1-18(25-16-23(31-2)15-21-7-3-4-9-24(21)25)29-12-10-20(11-13-29)26(30)28-17-19-6-5-8-22(27)14-19/h3-9,14-16,18,20H,10-13,17H2,1-2H3,(H,28,30)/t18-/m1/s1
Definition date:	2023-06-30
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	~{N}-[(3-fluorophenyl)methyl]-1-[(1~{R})-1-(3-methoxynaphthalen-1-yl)ethyl]piperidine-4-carboxamide

Y9T

Y9T
Name:	N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
Formula:	C22 H25 F3 N4 O3
SMILES:	FC(F)(F)c1cccc(n1)C(=O)Nc1cc2cn(nc2cc1C(C)(C)O)CCC(C)(C)O
InChi:	InChI=1S/C22H25F3N4O3/c1-20(2,31)8-9-29-12-13-10-17(14(21(3,4)32)11-16(13)28-29)27-19(30)15-6-5-7-18(26-15)22(23,24)25/h5-7,10-12,31-32H,8-9H2,1-4H3,(H,27,30)
Definition date:	2023-11-28
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	N-[2-(3-hydroxy-3-methylbutyl)-6-(2-hydroxypropan-2-yl)-2H-indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

ZX4

ZX4
Name:	5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine
Formula:	C25 H32 N10 O6 S
SMILES:	O=C(O)C1CC(CCN1CCCc1c[NH]c2N=C(N)NC(=O)c21)SCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C25H32N10O6S/c26-19-16-21(30-9-29-19)35(10-31-16)23-18(37)17(36)14(41-23)8-42-12-3-5-34(13(6-12)24(39)40)4-1-2-11-7-28-20-15(11)22(38)33-25(27)32-20/h7,9-10,12-14,17-18,23,36-37H,1-6,8H2,(H,39,40)(H2,26,29,30)(H4,27,28,32,33,38)/t12-,13-,14-,17-,18-,23-/m1/s1
Definition date:	2023-04-17
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	5'-S-{(2R,4R)-1-[3-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]-2-carboxypiperidin-4-yl}-5'-thioadenosine

HHC

HHC
Name:	~{N}-[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]-2-[(4~{R})-4-methanoyl-4,5-dihydro-1,3-thiazol-2-yl]pyridine-4-carboxamide
Formula:	C13 H15 N5 O4 S
SMILES:	N[CH](CNC(=O)c1ccnc(c1)C2=N[CH](CS2)C(O)=O)C(N)=O
InChi:	InChI=1S/C13H15N5O4S/c14-7(10(15)19)4-17-11(20)6-1-2-16-8(3-6)12-18-9(5-23-12)13(21)22/h1-3,7,9H,4-5,14H2,(H2,15,19)(H,17,20)(H,21,22)/t7-,9+/m1/s1
Definition date:	2021-01-12
Last modified:	2024-06-28
Release date:	2021-04-14
Identifier:	(4~{R})-2-[4-[[(2~{R})-2,3-bis(azanyl)-3-oxidanylidene-propyl]carbamoyl]pyridin-2-yl]-4,5-dihydro-1,3-thiazole-4-carboxylic acid

ZXW

ZXW
Name:	5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine
Formula:	C15 H24 N7 O15 P3 S
SMILES:	NC(CNC(CSP(OP(OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)(=O)O)(O)=O)=O)C=O
InChi:	InChI=1S/C15H24N7O15P3S/c16-6(15(26)27)1-18-8(23)3-41-40(32,33)37-39(30,31)36-38(28,29)34-2-7-10(24)11(25)14(35-7)22-5-21-9-12(17)19-4-20-13(9)22/h4-7,10-11,14,24-25H,1-3,16H2,(H,18,23)(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H2,17,19,20)/t6-,7+,10+,11+,14+/m0/s1
Definition date:	2018-01-18
Last modified:	2024-06-28
Release date:	2018-08-22
Identifier:	5'-O-[(S)-{[(R)-{[(R)-[(2-{[(2S)-2-amino-3-oxopropyl]amino}-2-oxoethyl)sulfanyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]adenosine

XV9

XV9
Name:	(phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[iminomethyl-(phenylmethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate
Formula:	C36 H46 N6 O5
SMILES:	CC[CH](NC(=O)OCc1ccccc1)C(=O)N[CH](C(=O)N[CH](Cc2ccccc2)C(=O)N(C)N(Cc3ccccc3)C=N)C(C)(C)C
InChi:	InChI=1S/C36H46N6O5/c1-6-29(39-35(46)47-24-28-20-14-9-15-21-28)32(43)40-31(36(2,3)4)33(44)38-30(22-26-16-10-7-11-17-26)34(45)41(5)42(25-37)23-27-18-12-8-13-19-27/h7-21,25,29-31,37H,6,22-24H2,1-5H3,(H,38,44)(H,39,46)(H,40,43)/b37-25-/t29-,30-,31+/m0/s1
Definition date:	2023-11-14
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(phenylmethyl) ~{N}-[(2~{S})-1-[[(2~{S})-1-[[(2~{S})-1-[[iminomethyl-(phenylmethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate

S7Z

S7Z
Name:	(E)-(4-((2,6-difluoro-4-(hydroxymethyl)phenyl)diazenyl)-2,6-difluorophenyl)methanol
Formula:	C14 H6 F4 N2 O4
SMILES:	OC(=O)c1cc(F)c(N=Nc2c(F)cc(cc2F)C(O)=O)c(F)c1
InChi:	InChI=1S/C14H6F4N2O4/c15-7-1-5(13(21)22)2-8(16)11(7)19-20-12-9(17)3-6(14(23)24)4-10(12)18/h1-4H,(H,21,22)(H,23,24)/b20-19-
Synonyms:	[4-[(~{Z})-[2,6-bis(fluoranyl)-4-(hydroxymethyl)phenyl]diazenyl]-3,5-bis(fluoranyl)phenyl]methanol
Definition date:	2020-11-11
Last modified:	2024-06-28
Release date:	2021-12-15
Identifier:	4-[(~{Z})-[4-carboxy-2,6-bis(fluoranyl)phenyl]diazenyl]-3,5-bis(fluoranyl)benzoic acid

XY5

XY5
Name:	2-[[(5~{Z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanal
Formula:	C16 H16 N4 O2
SMILES:	Nc1ccc2CCc3ccc(NCC(O)=O)cc3N=Nc2c1
InChi:	InChI=1S/C16H16N4O2/c17-12-5-3-10-1-2-11-4-6-13(18-9-16(21)22)8-15(11)20-19-14(10)7-12/h3-8,18H,1-2,9,17H2,(H,21,22)/b20-19-
Definition date:	2018-11-27
Last modified:	2024-06-28
Release date:	2019-02-06
Identifier:	2-[[(5~{Z})-8-azanyl-11,12-dihydrobenzo[c][1,2]benzodiazocin-3-yl]amino]ethanoic acid

V6W

V6W
Name:	NE-Acetyl-L-tryptophan
Formula:	C13 H14 N2 O4
SMILES:	N[CH](Cc1cn(CC(O)=O)c2ccccc12)C(O)=O
InChi:	InChI=1S/C13H14N2O4/c14-10(13(18)19)5-8-6-15(7-12(16)17)11-4-2-1-3-9(8)11/h1-4,6,10H,5,7,14H2,(H,16,17)(H,18,19)/t10-/m0/s1
Definition date:	2021-04-20
Last modified:	2024-06-28
Release date:	2023-08-16
Identifier:	(2~{S})-2-azanyl-3-[1-(2-hydroxy-2-oxoethyl)indol-3-yl]propanoic acid

ZMX

ZMX
Name:	(2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
Formula:	C28 H24 N4 O3
SMILES:	CC=1N(C)N(c2ccccc2)C(=O)C=1NC(=O)c1ccccc1c1ncc(o1)c1ccc(C)cc1
InChi:	InChI=1S/C28H24N4O3/c1-18-13-15-20(16-14-18)24-17-29-27(35-24)23-12-8-7-11-22(23)26(33)30-25-19(2)31(3)32(28(25)34)21-9-5-4-6-10-21/h4-17H,1-3H3,(H,30,33)
Definition date:	2023-06-29
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(2M)-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide

V7P

V7P
Name:	(2S)-2-amino-3-(6-fluoroquinolin-4-yl)propanal
Formula:	C12 H11 F N2 O2
SMILES:	c2(F)ccc1c(c(ccn1)CC(C=O)N)c2
InChi:	InChI=1S/C12H11FN2O2/c13-8-1-2-11-9(6-8)7(3-4-15-11)5-10(14)12(16)17/h1-4,6,10H,5,14H2,(H,16,17)/t10-/m0/s1
Definition date:	2020-07-13
Last modified:	2024-06-28
Release date:	2020-11-18
Identifier:	(2S)-2-amino-3-(6-fluoroquinolin-4-yl)propanal

W3O

W3O
Name:	1-[3-[~{tert}-butyl(dimethyl)silyl]oxypropyl]pyridine-3-carboxamide
Formula:	C15 H27 N2 O2 Si
SMILES:	O=C(N)c1ccc[n+](CCCO[Si](C)(C)C(C)(C)C)c1
InChi:	InChI=1S/C15H26N2O2Si/c1-15(2,3)20(4,5)19-11-7-10-17-9-6-8-13(12-17)14(16)18/h6,8-9,12H,7,10-11H2,1-5H3,(H-,16,18)/p+1
Definition date:	2023-09-22
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	1-(3-{[tert-butyl(dimethyl)silyl]oxy}propyl)-3-carbamoylpyridin-1-ium

W3X

W3X
Name:	1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide
Formula:	C14 H16 N2 O2
SMILES:	NC(=O)C=1CC=CN(CCc2ccc(O)cc2)C=1
InChi:	InChI=1S/C14H16N2O2/c15-14(18)12-2-1-8-16(10-12)9-7-11-3-5-13(17)6-4-11/h1,3-6,8,10,17H,2,7,9H2,(H2,15,18)
Definition date:	2023-09-22
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	1-[2-(4-hydroxyphenyl)ethyl]-1,4-dihydropyridine-3-carboxamide

W46

W46
Name:	1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide
Formula:	C14 H16 N2 O2
SMILES:	NC(=O)C=1CC=CN(Cc2ccc(CO)cc2)C=1
InChi:	InChI=1S/C14H16N2O2/c15-14(18)13-2-1-7-16(9-13)8-11-3-5-12(10-17)6-4-11/h1,3-7,9,17H,2,8,10H2,(H2,15,18)
Definition date:	2023-09-22
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	1-{[4-(hydroxymethyl)phenyl]methyl}-1,4-dihydropyridine-3-carboxamide

W4F

W4F
Name:	2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
Formula:	C18 H22 O5
SMILES:	COc1ccc(CCc2cc(OC)c(OC)c(OC)c2)cc1O
InChi:	InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3
Synonyms:	Erianin
Definition date:	2023-09-20
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

SJW

SJW
Name:	3-pyridin-3-ylpropanal
Formula:	C8 H9 N O2
SMILES:	OC(=O)CCc1cccnc1
InChi:	InChI=1S/C8H9NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4H2,(H,10,11)
Definition date:	2020-11-20
Last modified:	2024-06-28
Release date:	2021-12-01
Identifier:	3-pyridin-3-ylpropanoic acid

G8I

G8I
Name:	(2S)-2-hydroxy-3,3-dimethylbutanoic acid
Formula:	C6 H12 O3
SMILES:	O=C(O)C(O)C(C)(C)C
InChi:	InChI=1S/C6H12O3/c1-6(2,3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)/t4-/m1/s1
Definition date:	2023-07-20
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(2S)-2-hydroxy-3,3-dimethylbutanoic acid

TA2

TA2
Name:	(2R,3S)-3-AMINO-3-PHENYLPROPANE-1,2-DIOL
Formula:	C9 H11 N O3
SMILES:	OCC(O)C(N)c1ccccc1
InChi:	InChI=1S/C9H11NO3/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8,11H,10H2,(H,12,13)/t7-,8+/m0/s1
Definition date:	2006-09-22
Last modified:	2024-06-28
Identifier:	(2R,3S)-3-amino-3-phenylpropane-1,2-diol

CFD

CFD
Name:	(2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal
Formula:	C8 H15 N O2
SMILES:	O=CC(C=C(/C)C(N)C)C
InChi:	InChI=1S/C8H15NO2/c1-5(7(3)9)4-6(2)8(10)11/h4,6-7H,9H2,1-3H3,(H,10,11)/b5-4+/t6-,7-/m1/s1
Definition date:	2008-12-17
Last modified:	2024-06-28
Identifier:	(2R,3E,5R)-5-amino-2,4-dimethylhex-3-enal

GHO

GHO
Name:	(1R)-1-hydroxyethane-1-sulfonic acid
Formula:	C2 H6 O4 S
SMILES:	CC(O)S(=O)(=O)O
InChi:	InChI=1S/C2H6O4S/c1-2(3)7(4,5)6/h2-3H,1H3,(H,4,5,6)/t2-/m1/s1
Definition date:	2023-07-20
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(1R)-1-hydroxyethane-1-sulfonic acid

GIW

GIW
Name:	1,3-dithiane-2-carboxylic acid
Formula:	C5 H8 O2 S2
SMILES:	O=C(O)C1SCCCS1
InChi:	InChI=1S/C5H8O2S2/c6-4(7)5-8-2-1-3-9-5/h5H,1-3H2,(H,6,7)
Definition date:	2023-07-20
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	1,3-dithiane-2-carboxylic acid

GJM

GJM
Name:	(2S)-oxane-2-carboxylic acid
Formula:	C6 H10 O3
SMILES:	O=C(O)C1CCCCO1
InChi:	InChI=1S/C6H10O3/c7-6(8)5-3-1-2-4-9-5/h5H,1-4H2,(H,7,8)/t5-/m0/s1
Definition date:	2023-07-20
Last modified:	2024-06-28
Release date:	2024-07-03
Identifier:	(2S)-oxane-2-carboxylic acid

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