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A1ASR

A1ASR
Name:	N-(2-chlorophenyl)-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea
Formula:	C17 H12 Cl F3 N4 O
SMILES:	Clc1ccccc1NC(=O)Nc1cc(ccc1n1ccnc1)C(F)(F)F
InChi:	InChI=1S/C17H12ClF3N4O/c18-12-3-1-2-4-13(12)23-16(26)24-14-9-11(17(19,20)21)5-6-15(14)25-8-7-22-10-25/h1-10H,(H2,23,24,26)
Definition date:	2024-05-20
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	N-(2-chlorophenyl)-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea

A1ASU

A1ASU
Name:	5-(4-methoxyphenyl)-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-1,2,3-triazole
Formula:	C19 H16 N4 O S
SMILES:	Cc1nc(cs1)c1ccc(cc1)n1nncc1c1ccc(OC)cc1
InChi:	InChI=1S/C19H16N4OS/c1-13-21-18(12-25-13)14-3-7-16(8-4-14)23-19(11-20-22-23)15-5-9-17(24-2)10-6-15/h3-12H,1-2H3
Definition date:	2024-05-20
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	5-(4-methoxyphenyl)-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1H-1,2,3-triazole

A1ASV

A1ASV
Name:	N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
Formula:	C15 H16 F3 N3 O
SMILES:	CC(C)(C)C(=O)Nc1cc(ccc1n1ccnc1)C(F)(F)F
InChi:	InChI=1S/C15H16F3N3O/c1-14(2,3)13(22)20-11-8-10(15(16,17)18)4-5-12(11)21-7-6-19-9-21/h4-9H,1-3H3,(H,20,22)
Definition date:	2024-05-20
Last modified:	2025-04-11
Release date:	2025-04-16
Identifier:	N-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide

PMF

PMF
Name:	phenylmethylsulfonyl fluoride
Formula:	C7 H7 F O2 S
SMILES:	O=S(F)(=O)Cc1ccccc1
InChi:	InChI=1S/C7H7FO2S/c8-11(9,10)6-7-4-2-1-3-5-7/h1-5H,6H2
Synonyms:	PMSF
Definition date:	2001-03-29
Last modified:	2025-04-10
Release date:	2019-01-16
Identifier:	phenylmethanesulfonyl fluoride

DHL

DHL
Name:	2-AMINO-ETHANETHIOL
Formula:	C2 H7 N S
SMILES:	SCCN
InChi:	InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2
Synonyms:	2,3-DESHYDROLANTHIONINE
Definition date:	1999-11-22
Last modified:	2025-04-09
Identifier:	2-aminoethanethiol

HLA

HLA
Name:	4,6-O-[(1R)-1-carboxyethylidene]-D-galactopyranose
Formula:	C9 H14 O8
SMILES:	O=C(O)C1(C)OCC2OC(O)C(O)C(O)C2O1
InChi:	InChI=1S/C9H14O8/c1-9(8(13)14)15-2-3-6(17-9)4(10)5(11)7(12)16-3/h3-7,10-12H,2H2,1H3,(H,13,14)/t3-,4-,5-,6+,7-,9-/m1/s1
Definition date:	2018-07-10
Last modified:	2025-04-09
Release date:	2019-07-17
Identifier:	4,6-O-[(1R)-1-carboxyethylidene]-beta-D-galactopyranose

ZI0

ZI0
Name:	N-MALONYL-PROLINE
Formula:	C8 H11 N O5
SMILES:	OC(=O)CC(=O)N1CCC[CH]1C(O)=O
InChi:	InChI=1S/C8H11NO5/c10-6(4-7(11)12)9-3-1-2-5(9)8(13)14/h5H,1-4H2,(H,11,12)(H,13,14)/t5-/m0/s1
Synonyms:	1-(3-oxidanyl-3-oxidanylidene-propanoyl)pyrrolidine-2-carboxylic acid
Definition date:	2024-01-22
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	1-(3-oxidanyl-3-oxidanylidene-propanoyl)pyrrolidine-2-carboxylic acid

WMU

WMU
Name:	3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridin-4-yl-benzenesulfonamide
Formula:	C11 H10 N2 O4 S2
SMILES:	O=S(=O)(Nc1ccncc1)c1cccc(c1)S(=O)=O
InChi:	InChI=1S/C11H10N2O4S2/c14-18(15)10-2-1-3-11(8-10)19(16,17)13-9-4-6-12-7-5-9/h1-8,18H,(H,12,13)
Definition date:	2022-09-29
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	3-(dioxo-lambda~6~-sulfanyl)-N-(pyridin-4-yl)benzene-1-sulfonamide

WN3

WN3
Name:	3-[bis(oxidanylidene)-$l^{5}-sulfanyl]-~{N}-pyridazin-3-yl-benzenesulfonamide
Formula:	C10 H9 N3 O4 S2
SMILES:	O=S(=O)(Nc1cccnn1)c1cccc(c1)S(=O)=O
InChi:	InChI=1S/C10H9N3O4S2/c14-18(15)8-3-1-4-9(7-8)19(16,17)13-10-5-2-6-11-12-10/h1-7,18H,(H,12,13)
Definition date:	2022-09-29
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	3-(dioxo-lambda~6~-sulfanyl)-N-(pyridazin-3-yl)benzene-1-sulfonamide

A1BGE

A1BGE
Name:	5'-deoxy-5'-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}sulfamamido)adenosine
Formula:	C20 H31 N9 O6 S2
SMILES:	O=C1NC2C(CCCCCNS(=O)(=O)NCC3OC(n4cnc5c(N)ncnc54)C(O)C3O)SCC2N1
InChi:	InChI=1S/C20H31N9O6S2/c21-17-14-18(23-8-22-17)29(9-24-14)19-16(31)15(30)11(35-19)6-26-37(33,34)25-5-3-1-2-4-12-13-10(7-36-12)27-20(32)28-13/h8-13,15-16,19,25-26,30-31H,1-7H2,(H2,21,22,23)(H2,27,28,32)/t10-,11+,12-,13-,15+,16+,19+/m0/s1
Definition date:	2024-11-10
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	5'-deoxy-5'-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}sulfamamido)adenosine

A1BGF

A1BGF
Name:	5'-deoxy-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine
Formula:	C22 H30 N10 O4 S
SMILES:	O=C1NC2C(CCCCCc3cn(CC4OC(n5cnc6c(N)ncnc65)C(O)C4O)nn3)SCC2N1
InChi:	InChI=1S/C22H30N10O4S/c23-19-16-20(25-9-24-19)32(10-26-16)21-18(34)17(33)13(36-21)7-31-6-11(29-30-31)4-2-1-3-5-14-15-12(8-37-14)27-22(35)28-15/h6,9-10,12-15,17-18,21,33-34H,1-5,7-8H2,(H2,23,24,25)(H2,27,28,35)/t12-,13+,14-,15-,17+,18+,21+/m0/s1
Definition date:	2024-11-10
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	5'-deoxy-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine

A1BIE

A1BIE
Name:	N~6~-(2-methylprop-2-enoyl)-L-lysine
Formula:	C10 H18 N2 O3
SMILES:	NC(CCCCNC(=O)C(=C)C)C(=O)O
InChi:	InChI=1S/C10H18N2O3/c1-7(2)9(13)12-6-4-3-5-8(11)10(14)15/h8H,1,3-6,11H2,2H3,(H,12,13)(H,14,15)/t8-/m0/s1
Definition date:	2024-11-25
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	N~6~-(2-methylprop-2-enoyl)-L-lysine

A1L0A

A1L0A
Name:	1-(4-fluorophenyl)-6-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:	C27 H34 F N5 O4
SMILES:	CCC(CC)c1nn(c2ccc(F)cc2)c3nc(cc(C(O)=O)c13)N4CCN(CC4)C(=O)OCC(C)C
InChi:	InChI=1S/C27H34FN5O4/c1-5-18(6-2)24-23-21(26(34)35)15-22(29-25(23)33(30-24)20-9-7-19(28)8-10-20)31-11-13-32(14-12-31)27(36)37-16-17(3)4/h7-10,15,17-18H,5-6,11-14,16H2,1-4H3,(H,34,35)
Definition date:	2024-04-06
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	1-(4-fluorophenyl)-6-[4-(2-methylpropoxycarbonyl)piperazin-1-yl]-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid

A1IRE

A1IRE
Name:	6-chloranyl-2-ethyl-N-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
Formula:	C24 H24 Cl F3 N4 O3 S
SMILES:	CCc1nc2ccc(Cl)cn2c1C(=O)NCc3ccc(cc3)C4CC5(C4)CN(C5)[S](=O)(=O)C(F)(F)F
InChi:	InChI=1S/C24H24ClF3N4O3S/c1-2-19-21(32-12-18(25)7-8-20(32)30-19)22(33)29-11-15-3-5-16(6-4-15)17-9-23(10-17)13-31(14-23)36(34,35)24(26,27)28/h3-8,12,17H,2,9-11,13-14H2,1H3,(H,29,33)
Definition date:	2024-10-04
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	6-chloranyl-2-ethyl-~{N}-[[4-[2-(trifluoromethylsulfonyl)-2-azaspiro[3.3]heptan-6-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide

A1A0U

A1A0U
Name:	(1S,4s)-4-{(3R)-3-[(E)-(methoxyimino)(6-methoxynaphthalen-2-yl)methyl]piperidin-1-yl}cyclohexan-1-ol
Formula:	C24 H32 N2 O3
SMILES:	COc1ccc2cc(ccc2c1)C(=NOC)C1CCCN(C1)C1CCC(O)CC1
InChi:	InChI=1S/C24H32N2O3/c1-28-23-12-7-17-14-19(6-5-18(17)15-23)24(25-29-2)20-4-3-13-26(16-20)21-8-10-22(27)11-9-21/h5-7,12,14-15,20-22,27H,3-4,8-11,13,16H2,1-2H3/b25-24-/t20-,21-,22+/m1/s1
Definition date:	2024-08-02
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	(1S,4s)-4-{(3R)-3-[(E)-(methoxyimino)(6-methoxynaphthalen-2-yl)methyl]piperidin-1-yl}cyclohexan-1-ol

A1A0V

A1A0V
Name:	{(3R)-1-[(1s,4S)-4-hydroxycyclohexyl]piperidin-3-yl}(6-methoxynaphthalen-2-yl)methanone
Formula:	C23 H29 N O3
SMILES:	COc1ccc2cc(ccc2c1)C(=O)C1CCCN(C1)C1CCC(O)CC1
InChi:	InChI=1S/C23H29NO3/c1-27-22-11-6-16-13-18(5-4-17(16)14-22)23(26)19-3-2-12-24(15-19)20-7-9-21(25)10-8-20/h4-6,11,13-14,19-21,25H,2-3,7-10,12,15H2,1H3/t19-,20-,21+/m1/s1
Definition date:	2024-08-02
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	{(3R)-1-[(1s,4S)-4-hydroxycyclohexyl]piperidin-3-yl}(6-methoxynaphthalen-2-yl)methanone

A1BVQ

A1BVQ
Name:	N-{(2r,5r)-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide
Formula:	C25 H25 N3 O6
SMILES:	O=C1COc2ccc(cc2N1)C(=O)NC1COC(CCc2ccnc3ccc(OC)cc23)OC1
InChi:	InChI=1S/C25H25N3O6/c1-31-18-4-5-20-19(11-18)15(8-9-26-20)3-7-24-33-12-17(13-34-24)27-25(30)16-2-6-22-21(10-16)28-23(29)14-32-22/h2,4-6,8-11,17,24H,3,7,12-14H2,1H3,(H,27,30)(H,28,29)
Definition date:	2025-01-31
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	N-{(2r,5r)-2-[2-(6-methoxyquinolin-4-yl)ethyl]-1,3-dioxan-5-yl}-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-carboxamide

A1EDJ

A1EDJ
Name:	3-[(~{R})-(4-cyclohexylpiperazin-1-yl)-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]-6-methoxy-1~{H}-quinolin-2-one
Formula:	C30 H37 N7 O2
SMILES:	COc1ccc2NC(=O)C(=Cc2c1)[CH](N3CCN(CC3)C4CCCCC4)c5nnnn5CCc6ccccc6
InChi:	InChI=1S/C30H37N7O2/c1-39-25-12-13-27-23(20-25)21-26(30(38)31-27)28(36-18-16-35(17-19-36)24-10-6-3-7-11-24)29-32-33-34-37(29)15-14-22-8-4-2-5-9-22/h2,4-5,8-9,12-13,20-21,24,28H,3,6-7,10-11,14-19H2,1H3,(H,31,38)/t28-/m1/s1
Definition date:	2024-10-12
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	3-[(~{R})-(4-cyclohexylpiperazin-1-yl)-[1-(2-phenylethyl)-1,2,3,4-tetrazol-5-yl]methyl]-6-methoxy-1~{H}-quinolin-2-one

A1EMO

A1EMO
Name:	6-[(2E,4E,6E)-6-methylocta-2,4,6-trien-2-yl]-4-oxidanyl-pyran-2-one
Formula:	C14 H16 O3
SMILES:	CC=C(C)C=CC=C(C)C1=CC(=CC(=O)O1)O
InChi:	InChI=1S/C14H16O3/c1-4-10(2)6-5-7-11(3)13-8-12(15)9-14(16)17-13/h4-9,15H,1-3H3/b6-5+,10-4+,11-7+
Definition date:	2025-03-04
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	6-[(2~{E},4~{E},6~{E})-6-methylocta-2,4,6-trien-2-yl]-4-oxidanyl-pyran-2-one

A1AHQ

A1AHQ
Name:	4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-1,6-dihydropyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide
Formula:	C14 H7 F6 N3 O2 S
SMILES:	N#Cc1cc(sc1C(F)(F)F)C(=O)NC=1C=C(F)C(=O)N(CC(F)F)C=1
InChi:	InChI=1S/C14H7F6N3O2S/c15-8-2-7(4-23(13(8)25)5-10(16)17)22-12(24)9-1-6(3-21)11(26-9)14(18,19)20/h1-2,4,10H,5H2,(H,22,24)
Definition date:	2024-03-11
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	4-cyano-N-[1-(2,2-difluoroethyl)-5-fluoro-6-oxo-1,6-dihydropyridin-3-yl]-5-(trifluoromethyl)thiophene-2-carboxamide

A1AKY

A1AKY
Name:	6-hydroxy-2-phenyl[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione
Formula:	C11 H7 N3 O3 S
SMILES:	O=C1Nc2sc(nc2C(=O)N1O)c1ccccc1
InChi:	InChI=1S/C11H7N3O3S/c15-10-7-9(13-11(16)14(10)17)18-8(12-7)6-4-2-1-3-5-6/h1-5,17H,(H,13,16)
Definition date:	2024-04-05
Last modified:	2025-04-04
Release date:	2025-04-09
Identifier:	6-hydroxy-2-phenyl[1,3]thiazolo[5,4-d]pyrimidine-5,7(4H,6H)-dione

DCY

DCY
Name:	D-CYSTEINE
Formula:	C3 H7 N O2 S
SMILES:	O=C(O)C(N)CS
InChi:	InChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1
Definition date:	1999-07-08
Last modified:	2025-04-03
Identifier:	D-cysteine

TOE

TOE
Name:	2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL
Formula:	C7 H16 O4
SMILES:	OCCOCCOCCOC
InChi:	InChI=1S/C7H16O4/c1-9-4-5-11-7-6-10-3-2-8/h8H,2-7H2,1H3
Definition date:	1999-07-08
Last modified:	2025-04-03
Identifier:	2-[2-(2-methoxyethoxy)ethoxy]ethanol

A1I67

A1I67
Name:	(2~{R},3~{S},6~{R},7~{S})-7-[(1~{S})-1-azanyl-3-methyl-butyl]-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepane-3-carbaldehyde
Formula:	C13 H26 N2 O5
SMILES:	CC(C)C[CH](N)[C]1(O)O[CH](C)[CH](NC[C]1(C)O)C(O)=O
InChi:	InChI=1S/C13H26N2O5/c1-7(2)5-9(14)13(19)12(4,18)6-15-10(11(16)17)8(3)20-13/h7-10,15,18-19H,5-6,14H2,1-4H3,(H,16,17)/t8-,9+,10+,12-,13+/m1/s1
Definition date:	2025-03-20
Last modified:	2025-04-03
Release date:	2025-04-02
Identifier:	(2~{R},3~{S},6~{R},7~{S})-7-[(1~{S})-1-azanyl-3-methyl-butyl]-2,6-dimethyl-6,7-bis(oxidanyl)-1,4-oxazepane-3-carboxylic acid

X9L

X9L
Name:	5'-S-(2-{[(3-bromophenyl)methyl]amino}ethyl)-5'-thioadenosine
Formula:	C19 H23 Br N6 O3 S
SMILES:	Brc1cccc(c1)CNCCSCC1OC(n2cnc3c(N)ncnc32)C(O)C1O
InChi:	InChI=1S/C19H23BrN6O3S/c20-12-3-1-2-11(6-12)7-22-4-5-30-8-13-15(27)16(28)19(29-13)26-10-25-14-17(21)23-9-24-18(14)26/h1-3,6,9-10,13,15-16,19,22,27-28H,4-5,7-8H2,(H2,21,23,24)/t13-,15-,16-,19-/m1/s1
Definition date:	2023-10-26
Last modified:	2025-03-28
Release date:	2025-04-02
Identifier:	5'-S-(2-{[(3-bromophenyl)methyl]amino}ethyl)-5'-thioadenosine

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