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A1I41

A1I41
Name:	~{N}-(cyclohexylmethyl)-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-2-methylsulfonyl-benzamide
Formula:	C22 H26 F N O3 S2
SMILES:	CSc1cc(F)ccc1c2ccc(C(=O)NCC3CCCCC3)c(c2)[S](C)(=O)=O
InChi:	InChI=1S/C22H26FNO3S2/c1-28-20-13-17(23)9-11-18(20)16-8-10-19(21(12-16)29(2,26)27)22(25)24-14-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3,(H,24,25)
Definition date:	2025-03-03
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	~{N}-(cyclohexylmethyl)-4-(4-fluoranyl-2-methylsulfanyl-phenyl)-2-methylsulfonyl-benzamide

A1IB9

A1IB9
Name:	4-nitro-cinnamaldehyde
Formula:	C9 H9 N O3
SMILES:	OCC=Cc1ccc(cc1)[N](=O)=O
InChi:	InChI=1S/C9H9NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-6,11H,7H2/b2-1+
Synonyms:	(~{E})-3-(4-nitrophenyl)prop-2-en-1-ol
Definition date:	2024-05-21
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	(~{E})-3-(4-nitrophenyl)prop-2-en-1-ol

A1ICA

A1ICA
Name:	(2E)-3-(4-chlorophenyl)prop-2-enal
Formula:	C9 H9 Cl O
SMILES:	OCC=Cc1ccc(Cl)cc1
InChi:	InChI=1S/C9H9ClO/c10-9-5-3-8(4-6-9)2-1-7-11/h1-6,11H,7H2/b2-1+
Synonyms:	(~{E})-3-(4-chlorophenyl)prop-2-en-1-ol
Definition date:	2024-05-21
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	(~{E})-3-(4-chlorophenyl)prop-2-en-1-ol

A1L2F

A1L2F
Name:	[(2~{R})-1-octadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] nonadecanoate
Formula:	C46 H90 O16 P2
SMILES:	CCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCCCC)CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O
InChi:	InChI=1S/C46H90O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(48)60-38(36-58-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)37-59-64(56,57)62-46-43(51)41(49)45(42(50)44(46)52)61-63(53,54)55/h38,41-46,49-52H,3-37H2,1-2H3,(H,56,57)(H2,53,54,55)/t38-,41-,42+,43-,44-,45-,46+/m1/s1
Definition date:	2024-06-13
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	[(2~{R})-1-octadecanoyloxy-3-[oxidanyl-[(2~{R},3~{S},5~{R},6~{R})-2,3,5,6-tetrakis(oxidanyl)-4-phosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] nonadecanoate

A1L6B

A1L6B
Name:	7-[2-azanyl-3,4,5,6-tetrakis(fluoranyl)phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
Formula:	C31 H26 Cl F4 N7 O2
SMILES:	CC(C)c1nccc(C)c1N2C(=O)C(=C(N3CCN(CC3)C(=O)C=C)c4cc(Cl)c(nc24)c5c(N)c(F)c(F)c(F)c5F)C#N
InChi:	InChI=1S/C31H26ClF4N7O2/c1-5-19(44)41-8-10-42(11-9-41)29-16-12-18(32)27(20-21(33)22(34)23(35)24(36)25(20)38)40-30(16)43(31(45)17(29)13-37)28-15(4)6-7-39-26(28)14(2)3/h5-7,12,14H,1,8-11,38H2,2-4H3
Definition date:	2024-11-25
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	7-[2-azanyl-3,4,5,6-tetrakis(fluoranyl)phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile

A1L6C

A1L6C
Name:	7-[2-azanyl-3,5-bis(chloranyl)-6-fluoranyl-phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
Formula:	C31 H27 Cl3 F N7 O2
SMILES:	CC(C)c1nccc(C)c1N2C(=O)C(=C(N3CCN(CC3)C(=O)C=C)c4cc(Cl)c(nc24)c5c(N)c(Cl)cc(Cl)c5F)C#N
InChi:	InChI=1S/C31H27Cl3FN7O2/c1-5-22(43)40-8-10-41(11-9-40)29-17-12-21(34)27(23-24(35)19(32)13-20(33)25(23)37)39-30(17)42(31(44)18(29)14-36)28-16(4)6-7-38-26(28)15(2)3/h5-7,12-13,15H,1,8-11,37H2,2-4H3
Definition date:	2024-11-26
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	7-[2-azanyl-3,5-bis(chloranyl)-6-fluoranyl-phenyl]-6-chloranyl-1-(4-methyl-2-propan-2-yl-pyridin-3-yl)-2-oxidanylidene-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile

A1AWQ

A1AWQ
Name:	methyl (8S)-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate
Formula:	C9 H9 N3 O3
SMILES:	O=C(OC)c1cnn2c(O)cc(C)nc12
InChi:	InChI=1S/C9H9N3O3/c1-5-3-7(13)12-8(11-5)6(4-10-12)9(14)15-2/h3-4,13H,1-2H3
Definition date:	2024-07-02
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	methyl (8S)-7-hydroxy-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxylate

A1A7V

A1A7V
Name:	S-lactoyl-L-cysteine
Formula:	C6 H11 N O4 S
SMILES:	OC(=O)C(N)CSC(=O)C(C)O
InChi:	InChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h3-4,8H,2,7H2,1H3,(H,9,10)/t3-,4-/m0/s1
Synonyms:	S-[(2S)-2-hydroxypropanoyl]-L-cysteine
Definition date:	2024-09-17
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	S-[(2S)-2-hydroxypropanoyl]-L-cysteine

US6

US6
Name:	(7E,9S,10S,11R,12R,13R,14R,15R,16S,17S,18E,20Z)-2,4,10,12,14,16-hexahydroxy-3,7,9,11,13,15,17,21-octamethyl-23-azatricyclo[22.3.1.05,27]octacosa-1,3,5(27),7,18,20,24-heptaene-6,22,26,28-tetrone
Formula:	C35 H45 N O10
SMILES:	C[CH]1C=CC=C(C)C(=O)NC2=CC(=O)c3c(c(O)c(C)c(O)c3C2=O)C(=O)C(=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH](O)[CH](C)[CH]1O)C
InChi:	InChI=1S/C35H45NO10/c1-14-10-9-11-15(2)35(46)36-22-13-23(37)24-25(32(43)21(8)33(44)26(24)34(22)45)29(40)17(4)12-16(3)28(39)19(6)31(42)20(7)30(41)18(5)27(14)38/h9-14,16,18-20,27-28,30-31,38-39,41-44H,1-8H3,(H,36,46)/b10-9+,15-11-,17-12+/t14-,16-,18+,19+,20+,27-,28-,30+,31+/m0/s1
Synonyms:	34a-Deoxy-rifamycin W
Definition date:	2023-09-11
Last modified:	2025-03-07
Release date:	2025-03-12

V8X

V8X
Name:	N-[(2S)-3-cyclopropyl-1-({(1E,2R)-1-imino-3-[(3R)-2-oxo-2,3-dihydropyridin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide
Formula:	C23 H23 F2 N5 O3
SMILES:	O=C1N=CCC=C1CC(C=N)NC(=O)C(CC1CC1)NC(=O)c1cc2cc(F)cc(F)c2[NH]1
InChi:	InChI=1S/C23H23F2N5O3/c24-15-7-14-9-19(29-20(14)17(25)10-15)23(33)30-18(6-12-3-4-12)22(32)28-16(11-26)8-13-2-1-5-27-21(13)31/h2,5,7,9-12,16,18,26,29H,1,3-4,6,8H2,(H,28,32)(H,30,33)/b26-11+/t16-,18+/m1/s1
Definition date:	2023-09-11
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	N-[(2S)-3-cyclopropyl-1-{[(1E,2R)-1-imino-3-(2-oxo-2,5-dihydropyridin-3-yl)propan-2-yl]amino}-1-oxopropan-2-yl]-5,7-difluoro-1H-indole-2-carboxamide

A1LZB

A1LZB
Name:	7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[4,3-c]pyridin-4-one
Formula:	C24 H30 N4 O4 S
SMILES:	CN1C=C(c2ccccc2OCC3CC3)c4nn(CC5CCN(CC5)[S](C)(=O)=O)cc4C1=O
InChi:	InChI=1S/C24H30N4O4S/c1-26-14-20(19-5-3-4-6-22(19)32-16-18-7-8-18)23-21(24(26)29)15-27(25-23)13-17-9-11-28(12-10-17)33(2,30)31/h3-6,14-15,17-18H,7-13,16H2,1-2H3
Definition date:	2024-03-18
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	7-[2-(cyclopropylmethoxy)phenyl]-5-methyl-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazolo[4,3-c]pyridin-4-one

A1LZE

A1LZE
Name:	5-methyl-2-{[(2R)-2-methyl-4-methylsulfonyl-piperazin-1-yl]methyl}-7-(1-methylpyrazol-3-yl)furo[3,2-c]pyridin-4-one
Formula:	C19 H25 N5 O4 S
SMILES:	C[CH]1CN(CCN1Cc2oc3C(=CN(C)C(=O)c3c2)c4ccn(C)n4)[S](C)(=O)=O
InChi:	InChI=1S/C19H25N5O4S/c1-13-10-24(29(4,26)27)8-7-23(13)11-14-9-15-18(28-14)16(12-21(2)19(15)25)17-5-6-22(3)20-17/h5-6,9,12-13H,7-8,10-11H2,1-4H3/t13-/m1/s1
Definition date:	2024-03-18
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	5-methyl-2-[[(2~{R})-2-methyl-4-methylsulfonyl-piperazin-1-yl]methyl]-7-(1-methylpyrazol-3-yl)furo[3,2-c]pyridin-4-one

A1LZF

A1LZF
Name:	2-{[(3S)-1-benzylpyrrolidin-3-yl]methyl}-5-methyl-7-(1-methylpyrazol-3-yl)pyrazolo[4,3-c]pyridin-4-one
Formula:	C23 H26 N6 O
SMILES:	Cn1ccc(n1)C2=CN(C)C(=O)c3cn(C[CH]4CCN(C4)Cc5ccccc5)nc23
InChi:	InChI=1S/C23H26N6O/c1-26-15-19(21-9-10-27(2)24-21)22-20(23(26)30)16-29(25-22)14-18-8-11-28(13-18)12-17-6-4-3-5-7-17/h3-7,9-10,15-16,18H,8,11-14H2,1-2H3/t18-/m0/s1
Definition date:	2024-03-18
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	5-methyl-7-(1-methylpyrazol-3-yl)-2-[[(3~{S})-1-(phenylmethyl)pyrrolidin-3-yl]methyl]pyrazolo[4,3-c]pyridin-4-one

A1LZZ

A1LZZ
Name:	(4R,6S)-N-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide
Formula:	C26 H37 N7 O2
SMILES:	CN1CC[CH](C[CH](C1)Cn2cc3C(=O)N(C)C=C(c4ccn(C)n4)c3n2)C(=O)NC5CCCCC5
InChi:	InChI=1S/C26H37N7O2/c1-30-11-9-19(25(34)27-20-7-5-4-6-8-20)13-18(14-30)15-33-17-22-24(29-33)21(16-31(2)26(22)35)23-10-12-32(3)28-23/h10,12,16-20H,4-9,11,13-15H2,1-3H3,(H,27,34)/t18-,19-/m0/s1
Definition date:	2024-04-01
Last modified:	2025-03-07
Release date:	2025-03-12
Identifier:	(4~{R},6~{S})-~{N}-cyclohexyl-1-methyl-6-[[5-methyl-7-(1-methylpyrazol-3-yl)-4-oxidanylidene-pyrazolo[4,3-c]pyridin-2-yl]methyl]azepane-4-carboxamide

2MA

2MA
Name:	2-METHYLADENOSINE-5'-MONOPHOSPHATE
Formula:	C11 H16 N5 O7 P
SMILES:	O=P(O)(O)OCC1OC(n2cnc3c(N)nc(C)nc32)C(O)C1O
InChi:	InChI=1S/C11H16N5O7P/c1-4-14-9(12)6-10(15-4)16(3-13-6)11-8(18)7(17)5(23-11)2-22-24(19,20)21/h3,5,7-8,11,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
Definition date:	1999-07-08
Last modified:	2025-03-05
Identifier:	2-methyladenosine 5'-(dihydrogen phosphate)

X92

X92
Name:	Ramiprilat
Formula:	C21 H28 N2 O5
SMILES:	C[CH](N[CH](CCc1ccccc1)C(O)=O)C(=O)N2[CH]3CCC[CH]3C[CH]2C(O)=O
InChi:	InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1
Definition date:	2010-03-14
Last modified:	2025-03-05
Identifier:	(2~{S},3~{a}~{S},6~{a}~{S})-1-[(2~{S})-2-[[(2~{S})-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl]amino]propanoyl]-3,3~{a},4,5,6,6~{a}-hexahydro-2~{H}-cyclopenta[b]pyrrole-2-carboxylic acid

A1BNN

A1BNN
Name:	N-phenyl-6-selanylhexanamide
Formula:	C12 H17 N O Se
SMILES:	O=C(Nc1ccccc1)CCCCC[SeH]
InChi:	InChI=1S/C12H17NOSe/c14-12(9-5-2-6-10-15)13-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
Definition date:	2025-01-06
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	N-phenyl-6-selanylhexanamide

A1BRA

A1BRA
Name:	5-[(3-chlorobenzene-1-sulfonyl)methoxy]-6-methyl-N-[(pyridin-3-yl)methyl]pyrazine-2-carboxamide
Formula:	C19 H17 Cl N4 O4 S
SMILES:	Clc1cccc(c1)S(=O)(=O)COc1ncc(nc1C)C(=O)NCc1cccnc1
InChi:	InChI=1S/C19H17ClN4O4S/c1-13-19(28-12-29(26,27)16-6-2-5-15(20)8-16)23-11-17(24-13)18(25)22-10-14-4-3-7-21-9-14/h2-9,11H,10,12H2,1H3,(H,22,25)
Definition date:	2025-01-14
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	5-[(3-chlorobenzene-1-sulfonyl)methoxy]-6-methyl-N-[(pyridin-3-yl)methyl]pyrazine-2-carboxamide

A1BRB

A1BRB
Name:	5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-[1-(pyrazin-2-yl)cyclopropyl]pyrazine-2-carboxamide
Formula:	C20 H16 Cl F2 N5 O2
SMILES:	Clc1cccc(c1)C(F)(F)COc1cnc(cn1)C(=O)NC1(CC1)c1cnccn1
InChi:	InChI=1S/C20H16ClF2N5O2/c21-14-3-1-2-13(8-14)20(22,23)12-30-17-11-26-15(9-27-17)18(29)28-19(4-5-19)16-10-24-6-7-25-16/h1-3,6-11H,4-5,12H2,(H,28,29)
Definition date:	2025-01-14
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	5-[2-(3-chlorophenyl)-2,2-difluoroethoxy]-N-[1-(pyrazin-2-yl)cyclopropyl]pyrazine-2-carboxamide

A1BXE

A1BXE
Name:	N-(5-amino-2-methylphenyl)-3-methylbenzamide
Formula:	C15 H16 N2 O
SMILES:	O=C(Nc1cc(N)ccc1C)c1cccc(C)c1
InChi:	InChI=1S/C15H16N2O/c1-10-4-3-5-12(8-10)15(18)17-14-9-13(16)7-6-11(14)2/h3-9H,16H2,1-2H3,(H,17,18)
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	N-(5-amino-2-methylphenyl)-3-methylbenzamide

A1BXF

A1BXF
Name:	7,8-dichloro-2-methylquinolin-4-amine
Formula:	C10 H8 Cl2 N2
SMILES:	Clc1c(Cl)ccc2c(N)cc(C)nc12
InChi:	InChI=1S/C10H8Cl2N2/c1-5-4-8(13)6-2-3-7(11)9(12)10(6)14-5/h2-4H,1H3,(H2,13,14)
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	7,8-dichloro-2-methylquinolin-4-amine

A1BXQ

A1BXQ
Name:	[(3R)-3-aminopyrrolidin-1-yl](2-{[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl}phenyl)methanone
Formula:	C23 H25 N3 O2
SMILES:	NC1CCN(C1)C(=O)c1ccccc1Cc1cccc2c1nc(C)cc2CO
InChi:	InChI=1S/C23H25N3O2/c1-15-11-18(14-27)20-8-4-6-17(22(20)25-15)12-16-5-2-3-7-21(16)23(28)26-10-9-19(24)13-26/h2-8,11,19,27H,9-10,12-14,24H2,1H3/t19-/m1/s1
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	[(3R)-3-aminopyrrolidin-1-yl](2-{[4-(hydroxymethyl)-2-methylquinolin-8-yl]methyl}phenyl)methanone

A1BXR

A1BXR
Name:	1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one
Formula:	C17 H21 N3 O2
SMILES:	NC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO
InChi:	InChI=1S/C17H21N3O2/c1-11-7-13(10-21)15-4-2-3-12(17(15)19-11)8-16(22)20-6-5-14(18)9-20/h2-4,7,14,21H,5-6,8-10,18H2,1H3/t14-/m1/s1
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	1-[(3R)-3-aminopyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one

A1BXS

A1BXS
Name:	1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one
Formula:	C18 H23 N3 O2
SMILES:	NCC1CCN(C1)C(=O)Cc1cccc2c1nc(C)cc2CO
InChi:	InChI=1S/C18H23N3O2/c1-12-7-15(11-22)16-4-2-3-14(18(16)20-12)8-17(23)21-6-5-13(9-19)10-21/h2-4,7,13,22H,5-6,8-11,19H2,1H3/t13-/m0/s1
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-[4-(hydroxymethyl)-2-methylquinolin-8-yl]ethan-1-one

A1BXV

A1BXV
Name:	N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide
Formula:	C19 H25 N3 O2
SMILES:	Cc1nc2c(cccc2NC(=O)CCC2CCNCC2)c(CO)c1
InChi:	InChI=1S/C19H25N3O2/c1-13-11-15(12-23)16-3-2-4-17(19(16)21-13)22-18(24)6-5-14-7-9-20-10-8-14/h2-4,11,14,20,23H,5-10,12H2,1H3,(H,22,24)
Definition date:	2025-02-20
Last modified:	2025-02-28
Release date:	2025-03-05
Identifier:	N-[4-(hydroxymethyl)-2-methylquinolin-8-yl]-3-(piperidin-4-yl)propanamide

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