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SLD

SLD
Name:	(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide
Formula:	C25 H28 F N5 O6
SMILES:	O=C(NCC3OC(=O)N(c2ccc(/C=C/CCCNC(=O)C/C=C1/C(=NC(=O)NC1=O)C)c(F)c2)C3)C
InChi:	InChI=1S/C25H28FN5O6/c1-15-20(23(34)30-24(35)29-15)9-10-22(33)27-11-5-3-4-6-17-7-8-18(12-21(17)26)31-14-19(37-25(31)36)13-28-16(2)32/h4,6-9,12,19H,3,5,10-11,13-14H2,1-2H3,(H,27,33)(H,28,32)(H,30,34,35)/b6-4+,20-9-/t19-/m0/s1
Definition date:	2008-07-16
Last modified:	2011-06-04
Identifier:	(3Z)-N-[(4E)-5-(4-{(5S)-5-[(acetylamino)methyl]-2-oxo-1,3-oxazolidin-3-yl}-2-fluorophenyl)pent-4-en-1-yl]-3-(4-methyl-2,6-dioxo-1,6-dihydropyrimidin-5(2H)-ylidene)propanamide

SLF

SLF
Name:	SULFATE-3-D-GALACTOSYL-BETA-1-1-N-STEAROYL-D-SPHINGOSINE
Formula:	C42 H81 N O11 S
SMILES:	O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)CCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO
InChi:	InChI=1S/C42H81NO11S/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-38(46)43-35(36(45)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2)34-52-42-40(48)41(54-55(49,50)51)39(47)37(33-44)53-42/h29,31,35-37,39-42,44-45,47-48H,3-28,30,32-34H2,1-2H3,(H,43,46)(H,49,50,51)/b31-29+/t35-,36+,37+,39-,40+,41-,42+/m0/s1
Definition date:	2003-03-20
Last modified:	2011-06-04
Identifier:	N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]octadecanamide

SMR

SMR
Name:	N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide
Formula:	C29 H40 N4 O5 S
SMILES:	O=S(=O)(c1c(cccc1C)C)N(CCOCC)CC(O)CN5CCCC4(Oc3c(c2cnnc2cc3)CC4)C5
InChi:	InChI=1S/C29H40N4O5S/c1-4-37-16-15-33(39(35,36)28-21(2)7-5-8-22(28)3)19-23(34)18-32-14-6-12-29(20-32)13-11-24-25-17-30-31-26(25)9-10-27(24)38-29/h5,7-10,17,23,34H,4,6,11-16,18-20H2,1-3H3,(H,30,31)/t23-,29+/m0/s1
Definition date:	2011-02-10
Last modified:	2011-06-04
Identifier:	N-{(2S)-3-[(3S)-8',9'-dihydro-1H,3'H-spiro[piperidine-3,7'-pyrano[3,2-e]indazol]-1-yl]-2-hydroxypropyl}-N-(2-ethoxyethyl)-2,6-dimethylbenzenesulfonamide

BIZ

BIZ
Name:	BIZELESIN
Formula:	C43 H38 N8 O5
SMILES:	O=C(N3c2cc(O)c1c(c(cn1)C)c2C(C)C3)c5cc4cc(ccc4n5)NC(=O)Nc6cc7cc(nc7cc6)C(=O)N%10c9cc(O)c8c(c(cn8)C)c9C(C)C%10
InChi:	InChI=1S/C43H38N8O5/c1-19-15-44-39-33(52)13-31-35(37(19)39)21(3)17-50(31)41(54)29-11-23-9-25(5-7-27(23)48-29)46-43(56)47-26-6-8-28-24(10-26)12-30(49-28)42(55)51-18-22(4)36-32(51)14-34(53)40-38(36)20(2)16-45-40/h5-16,21-22,44-45,48-49,52-53H,17-18H2,1-4H3,(H2,46,47,56)/t21-,22-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	1,3-bis(2-{[(1S)-5-hydroxy-1,8-dimethyl-1,6-dihydropyrrolo[3,2-e]indol-3(2H)-yl]carbonyl}-1H-indol-5-yl)urea

SN1

SN1
Name:	2,4-DIHYDROXY-TRANS CINNAMIC ACID
Formula:	C9 H8 O4
SMILES:	O=C(O)/C=C/c1ccc(O)cc1O
InChi:	InChI=1S/C9H8O4/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
Definition date:	2001-10-05
Last modified:	2011-06-04
Identifier:	(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid

SOO

SOO
Name:	S-[2-[3-[[(2S)-2-hydroxy-3,3-dimethyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] (E)-oct-2-enethioate
Formula:	C19 H35 N2 O8 P S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O)/C=C/CCCCC
InChi:	InChI=1S/C19H35N2O8PS/c1-4-5-6-7-8-9-16(23)31-13-12-20-15(22)10-11-21-18(25)17(24)19(2,3)14-29-30(26,27)28/h8-9,17,24H,4-7,10-14H2,1-3H3,(H,20,22)(H,21,25)(H2,26,27,28)/b9-8+/t17-/m1/s1
Definition date:	2009-10-15
Last modified:	2011-06-04
Identifier:	S-[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] (2E)-oct-2-enethioate

SPC

SPC
Name:	N-HYDROXY 1N(4-METHOXYPHENYL)SULFONYL-4-(Z,E-N-METHOXYIMINO)PYRROLIDINE-2R-CARBOXAMIDE
Formula:	C13 H19 N3 O6 S
SMILES:	O=S(=O)(c1ccc(OC)cc1)N2C(C(=O)NO)CC(NOC)C2
InChi:	InChI=1S/C13H19N3O6S/c1-21-10-3-5-11(6-4-10)23(19,20)16-8-9(15-22-2)7-12(16)13(17)14-18/h3-6,9,12,15,18H,7-8H2,1-2H3,(H,14,17)/t9-,12+/m0/s1
Definition date:	1999-10-26
Last modified:	2011-06-04
Identifier:	(4S)-N-hydroxy-4-(methoxyamino)-1-[(4-methoxyphenyl)sulfonyl]-D-prolinamide

SPF

SPF
Name:	SINAPOYL COENZYME A
Formula:	C32 H44 N7 O20 P3 S
SMILES:	O=C(SCCNC(=O)CCNC(=O)C4(O)C(C)(C)C4OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C=Cc5cc(OC)c(O)c(OC)c5
InChi:	InChI=1S/C32H44N7O20P3S/c1-31(2)29(32(31,45)30(44)35-8-7-20(40)34-9-10-63-21(41)6-5-16-11-17(53-3)23(42)18(12-16)54-4)58-62(51,52)59-61(49,50)55-13-19-25(57-60(46,47)48)24(43)28(56-19)39-15-38-22-26(33)36-14-37-27(22)39/h5-6,11-12,14-15,19,24-25,28-29,42-43,45H,7-10,13H2,1-4H3,(H,34,40)(H,35,44)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t19-,24+,25-,28-,29-,32?/m1/s1
Definition date:	2004-03-30
Last modified:	2011-06-04
Identifier:	S-(2-{[3-({[(1R,3R)-3-{[(S)-{[(S)-{[(2R,3S,4S,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-1-hydroxy-2,2-dimethylcyclopropyl]carbonyl}amino)propanoyl]amino}ethyl) (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enethioate (non-preferred name)

SPN

SPN
Name:	SPEROIDENONE
Formula:	C41 H70 O2
SMILES:	O=C(C/C=C(C)CCC=C(/C)CCC=C(/C)CCCCC(=C/CCC(C)CCC=C(/C)CCC=C(/C)C)/C)C(OC)(C)C
InChi:	InChI=1S/C41H70O2/c1-33(2)19-14-22-36(5)25-17-28-37(6)26-15-23-34(3)20-12-13-21-35(4)24-16-27-38(7)29-18-30-39(8)31-32-40(42)41(9,10)43-11/h19,23-25,29,31,37H,12-18,20-22,26-28,30,32H2,1-11H3/b34-23+,35-24+,36-25+,38-29+,39-31+/t37-/m0/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(8E,9'S,12E,12'E)-1-methoxy-4,5-didehydro-1,2,5,6,7,7',8',9',10,10',11,11',14,14',15,15'-hexadecahydro-psi,psi-caroten-2-one

STL

STL
Name:	RESVERATROL
Formula:	C14 H12 O3
SMILES:	Oc2cc(C=Cc1ccc(O)cc1)cc(O)c2
InChi:	InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

STU

STU
Name:	STAUROSPORINE
Formula:	C28 H26 N4 O3
SMILES:	O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
InChi:	InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(5S,6R,7R,9R)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one

SXX

SXX
Name:	SINAPINATE
Formula:	C11 H12 O5
SMILES:	O=C(O)C=Cc1cc(OC)c(O)c(OC)c1
InChi:	InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)/b4-3+
Definition date:	2004-10-30
Last modified:	2011-06-04
Identifier:	(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid

GAS

GAS
Name:	N-(P-CYANOPHENYL)-N'-DIPHENYLMETHYL-GUANIDINE-ACETIC ACID
Formula:	C23 H20 N4 O2
SMILES:	N#Cc3ccc(N/C(=N/CC(=O)O)NC(c1ccccc1)c2ccccc2)cc3
InChi:	InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(E)-N-{[(4-cyanophenyl)amino][(diphenylmethyl)amino]methylidene}glycine

SZH

SZH
Name:	(2S,6E)-8-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}-2,6-dimethyloct-6-en-1-yl (2S)-3,3,3-trifluoro-2-hydrazinopropanoate
Formula:	C13 H25 F3 N2 O9 P2
SMILES:	C[CH](CCCC(C)=CCO[P](O)(=O)O[P](O)(O)=O)COC(=O)[CH](NN)C(F)(F)F
InChi:	InChI=1S/C13H25F3N2O9P2/c1-9(6-7-26-29(23,24)27-28(20,21)22)4-3-5-10(2)8-25-12(19)11(18-17)13(14,15)16/h6,10-11,18H,3-5,7-8,17H2,1-2H3,(H,23,24)(H2,20,21,22)/b9-6+/t10-,11?/m0/s1
Definition date:	2009-11-30
Last modified:	2011-06-04
Identifier:	[(E,2S)-8-[hydroxy(phosphonooxy)phosphoryl]oxy-2,6-dimethyl-oct-6-enyl] 3,3,3-trifluoro-2-hydrazinyl-propanoate

GD9

GD9
Name:	2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-yl-thieno[3,2-d]pyrimidine
Formula:	C23 H27 N7 O3 S2
SMILES:	O=S(=O)(N1CCN(CC1)Cc3sc2c(nc(nc2c3)c5cccc4nncc45)N6CCOCC6)C
InChi:	InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)
Definition date:	2008-06-03
Last modified:	2011-06-04
Identifier:	2-(1H-indazol-4-yl)-6-{[4-(methylsulfonyl)piperazin-1-yl]methyl}-4-morpholin-4-ylthieno[3,2-d]pyrimidine

GEG

GEG
Name:	(4E)-4-AMINOHEX-4-ENOIC ACID
Formula:	C6 H11 N O2
SMILES:	O=C(O)CCC(=C/C)N
InChi:	InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2H,3-4,7H2,1H3,(H,8,9)/b5-2+
Definition date:	2003-06-03
Last modified:	2011-06-04
Identifier:	(4E)-4-aminohex-4-enoic acid

C53

C53
Name:	2-IMINO-5-(1-PYRIDIN-2-YL-METH-(E)-YLIDENE)-1,3-THIAZOLIDIN-4-ONE
Formula:	C9 H7 N3 O S
SMILES:	O=C1C(/SC(=[N@H])N1)=Cc2ncccc2
InChi:	InChI=1S/C9H7N3OS/c10-9-12-8(13)7(14-9)5-6-3-1-2-4-11-6/h1-5H,(H2,10,12,13)/b7-5+
Definition date:	2007-05-14
Last modified:	2011-06-04
Identifier:	(2Z,5E)-2-imino-5-(pyridin-2-ylmethylidene)-1,3-thiazolidin-4-one

C5D

C5D
Name:	(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol
Formula:	C24 H32 F6 O3
SMILES:	FC(F)(F)C(O)(C#CCCC2(C)CCC(/C=C/C=C1CC(O)CC(O)C1)C2(C)C)C(F)(F)F
InChi:	InChI=1S/C24H32F6O3/c1-20(2)17(8-6-7-16-13-18(31)15-19(32)14-16)9-12-21(20,3)10-4-5-11-22(33,23(25,26)27)24(28,29)30/h6-8,17-19,31-33H,4,9-10,12-15H2,1-3H3/b8-6+/t17-,18-,19-,21+/m1/s1
Definition date:	2008-07-14
Last modified:	2011-06-04
Identifier:	(1R,3R)-5-[(2E)-3-{(1S,3R)-2,2,3-trimethyl-3-[6,6,6-trifluoro-5-hydroxy-5-(trifluoromethyl)hex-3-yn-1-yl]cyclopentyl}prop-2-en-1-ylidene]cyclohexane-1,3-diol

T8N

T8N
Name:	(2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid
Formula:	C7 H8 O6
SMILES:	O=C(O)/C(=C/C(=O)O)CC(=O)OC
InChi:	InChI=1S/C7H8O6/c1-13-6(10)3-4(7(11)12)2-5(8)9/h2H,3H2,1H3,(H,8,9)(H,11,12)/b4-2+
Definition date:	2009-02-10
Last modified:	2011-06-04
Identifier:	(2E)-2-(2-methoxy-2-oxoethyl)but-2-enedioic acid

TBI

TBI
Name:	TAZOBACTAM TRANS-ENAMINE INTERMEDIATE
Formula:	C10 H14 N4 O5 S
SMILES:	O=S(=O)C(Cn1nncc1)(C)C(C(=O)O)NC=CC=O
InChi:	InChI=1S/C10H14N4O5S/c1-10(20(18)19,7-14-5-4-12-13-14)8(9(16)17)11-3-2-6-15/h2-6,8,11,20H,7H2,1H3,(H,16,17)/b3-2+/t8-,10-/m0/s1
Definition date:	2003-11-20
Last modified:	2011-06-04
Identifier:	(3S)-3-(dioxidosulfanyl)-N-[(1E)-3-oxoprop-1-en-1-yl]-4-(1H-1,2,3-triazol-1-yl)-D-valine

TCA

TCA
Name:	PHENYLETHYLENECARBOXYLIC ACID
Formula:	C9 H8 O2
SMILES:	O=C(O)C=Cc1ccccc1
InChi:	InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)/b7-6+
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2E)-3-phenylprop-2-enoic acid

TDE

TDE
Name:	(E)-(2R,3R,4S,5R)-3,4,5-TRIHYDROXY-2-METHOXY-8,8-DIMETHYL-NON-6-ENOIC ACID ((3S,6R)-6-HYDROXY-2-OXO-AZEPAN-3-YL)-AMIDE
Formula:	C18 H32 N2 O7
SMILES:	O=C1NCC(O)CCC1NC(=O)C(OC)C(O)C(O)C(O)/C=C/C(C)(C)C
InChi:	InChI=1S/C18H32N2O7/c1-18(2,3)8-7-12(22)13(23)14(24)15(27-4)17(26)20-11-6-5-10(21)9-19-16(11)25/h7-8,10-15,21-24H,5-6,9H2,1-4H3,(H,19,25)(H,20,26)/b8-7+/t10-,11+,12-,13+,14-,15-/m1/s1
Definition date:	2003-09-19
Last modified:	2011-06-04
Identifier:	(2R,3R,4S,5R,6E)-3,4,5-trihydroxy-N-[(3S,6R)-6-hydroxy-2-oxoazepan-3-yl]-2-methoxy-8,8-dimethylnon-6-enamide (non-preferred name)

TED

TED
Name:	5-[(1E)-14-carboxy-10,13-bis(carboxymethyl)-3,8-dioxo-4,7,10,13-tetraazatetradec-1-en-1-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate)
Formula:	C24 H35 N6 O16 P
SMILES:	O=C(O)CN(CC(=O)O)CCN(CC(=O)O)CC(=O)NCCNC(=O)C=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C24H35N6O16P/c31-15-7-19(46-16(15)13-45-47(42,43)44)30-8-14(23(40)27-24(30)41)1-2-17(32)25-3-4-26-18(33)9-28(10-20(34)35)5-6-29(11-21(36)37)12-22(38)39/h1-2,8,15-16,19,31H,3-7,9-13H2,(H,25,32)(H,26,33)(H,34,35)(H,36,37)(H,38,39)(H,27,40,41)(H2,42,43,44)/b2-1+/t15-,16+,19+/m0/s1
Definition date:	2010-07-22
Last modified:	2011-06-04
Identifier:	5-[(13E)-1-carboxy-2,5-bis(carboxymethyl)-7,12-dioxo-2,5,8,11-tetraazatetradec-13-en-14-yl]-2'-deoxyuridine 5'-(dihydrogen phosphate)

TEM

TEM
Name:	N-(2-HYDROXY-4-OXO-BUTYL)-N-(3-OXO-TRANSPROPENYL)AMINE
Formula:	C7 H11 N O3
SMILES:	O=CC=CNCC(O)CC=O
InChi:	InChI=1S/C7H11NO3/c9-4-1-3-8-6-7(11)2-5-10/h1,3-5,7-8,11H,2,6H2/b3-1+/t7-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(3R)-3-hydroxy-4-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanal

TMS

TMS
Name:	N-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-PHENYL)-VINYL]-BENZAMIDE
Formula:	C21 H25 N O5
SMILES:	O=C(NCCCO)c1ccc(cc1)C=Cc2cc(OC)c(OC)c(OC)c2
InChi:	InChI=1S/C21H25NO5/c1-25-18-13-16(14-19(26-2)20(18)27-3)6-5-15-7-9-17(10-8-15)21(24)22-11-4-12-23/h5-10,13-14,23H,4,11-12H2,1-3H3,(H,22,24)/b6-5+
Definition date:	2004-08-17
Last modified:	2011-06-04
Identifier:	N-(3-hydroxypropyl)-4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]benzamide

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