centerdatasetid	sm_name	sm_lincs_id	sm_alternative_name	sm_pubchem_cid	sm_inchi_parent	sm_inchi_key_parent	sm_smiles_parent	sm_center_name	sm_center_canonical_id	sm_center_batch_id	sm_provider_name	sm_provider_catalog_id	sm_provider_batch_id	sm_salt	sm_smiles_batch	sm_inchi_batch	sm_inchi_key_batch	sm_molecular_mass	sm_purity	sm_purity_method	sm_aqueous_solubility	sm_logp	sm_alternative_id	sm_relevant_citations	sm_chebi_id
20002	GW843682X	LSM-1014	GW843682; GW843682X; GW-843682X; GW 843682X	9826308	InChI=1S/C22H18F3N3O4S/c1-30-16-7-14-15(8-17(16)31-2)28(11-27-14)19-9-18(20(33-19)21(26)29)32-10-12-5-3-4-6-13(12)22(23,24)25/h3-9,11H,10H2,1-2H3,(H2,26,29)	JSKUWFIZUALZLX-UHFFFAOYSA-N	COc1cc2ncn(c3cc(OCc4ccccc4C(F)(F)F)c(s3)C(=O)N)c2cc1OC	HMS_LINCS	10014	10014-101-2	Axon Medchem	1131	aliquoted 5/10					477.097011376							91334
20002	Tozasertib	LSM-1021	Tozasertib; VX-68; VX680; VX-680; MK-045; MK-0457; VX-680(MK-0457); VX-680 (TOZASERTIB, MK-0457); N-(4-(4-(3-Methyl-1H-pyrazol-5-ylamino)-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylthio)phenyl)cyclopropanecarboxamide vx-680; Tozasertib Lactate	5494449	InChI=1S/C23H28N8OS/c1-15-13-20(29-28-15)25-19-14-21(31-11-9-30(2)10-12-31)27-23(26-19)33-18-7-5-17(6-8-18)24-22(32)16-3-4-16/h5-8,13-14,16H,3-4,9-12H2,1-2H3,(H,24,32)(H2,25,26,27,28,29)	GCIKSSRWRFVXBI-UHFFFAOYSA-N	CN1CCN(CC1)c2cc(Nc3cc(C)[nH]n3)nc(Sc4ccc(NC(=O)C5CC5)cc4)n2	HMS_LINCS	10021	10021-101-2	Nathanael Gray (DFCI)	WZ10-020	synthesized 6/5/2009					464.210678286							91336
20002	BI-2536	LSM-1041	BI-2536; BI 2536; NPK33-1-98-1	11364421	InChI=1S/C28H39N7O3/c1-5-22-27(37)34(3)23-17-29-28(32-25(23)35(22)20-8-6-7-9-20)31-21-11-10-18(16-24(21)38-4)26(36)30-19-12-14-33(2)15-13-19/h10-11,16-17,19-20,22H,5-9,12-15H2,1-4H3,(H,30,36)(H,29,31,32)/t22-/m1/s1	XQVVPGYIWAGRNI-JOCHJYFZSA-N	CC[C@H]1N(C2CCCC2)c3nc(Nc4ccc(cc4OC)C(=O)NC5CCN(C)CC5)ncc3N(C)C1=O	HMS_LINCS	10041	10041-101-2	Nathanael Gray (DFCI)	SAI-2007	aliquoted 11/09					521.311438178							
20002	BRD-A28746609	LSM-1102	Taxol; Paclitaxel	441276	InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38?,40-,45+,46-,47+/m0/s1	RCINICONZNJXQF-VAZQATRQSA-N	CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@@]3(OC(=O)C)C2[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c6ccccc6)c7ccccc7)C(=C1C5(C)C)C	HMS_LINCS	10102	10102-101-1	Sigma-Aldrich	T7191	040M1323					853.330955322							
20002	Staurosporine	LSM-1103		44259	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	HKSZLNNOFSGOKW-FYTWVXJKSA-N	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35	HMS_LINCS	10103	10103-101-1	Sigma-Aldrich	S3939	088K1129					466.200490732							15738
20002	RO-3306	LSM-42788		11631681	InChI=1S/C18H13N3OS2/c22-17-16(24-18(21-17)20-11-14-4-2-8-23-14)10-12-5-6-15-13(9-12)3-1-7-19-15/h1-10H,11H2,(H,20,21,22)/b16-10-	XOLMRFUGOINFDQ-YBEGLDIGSA-N	O=C1N=C(NCc2cccs2)S/C/1=C\c3ccc4ncccc4c3	HMS_LINCS	10104	10104-101-1	Calbiochem	217699	D00092962					351.050003446							
20002	MPS1-IN-1	LSM-1105	MPS-1-IN-1	25195352	InChI=1S/C28H33N5O4S/c1-18(2)38(35,36)26-7-5-4-6-23(26)30-24-17-27(32-28-21(24)10-13-29-28)31-22-9-8-19(16-25(22)37-3)33-14-11-20(34)12-15-33/h4-10,13,16-18,20,34H,11-12,14-15H2,1-3H3,(H3,29,30,31,32)	NMJMRSQTDLRCRQ-UHFFFAOYSA-N	COc1cc(ccc1Nc2cc(Nc3ccccc3S(=O)(=O)C(C)C)c4cc[nH]c4n2)N5CCC(O)CC5	HMS_LINCS	10105	10105-101-1	Nathanael Gray (DFCI)	NPKIV-150-1	synthesized 8/10/2008					535.225325276							91379
20002	3ZTX	LSM-1106	XMD-12	54592204	InChI=1S/C24H26N6O2/c1-28-20-6-4-3-5-19(20)23(32)29(2)21-15-25-24(27-22(21)28)26-16-7-9-17(10-8-16)30-13-11-18(31)12-14-30/h3-10,15,18,31H,11-14H2,1-2H3,(H,25,26,27)	DFQAJLQXPSPNJE-UHFFFAOYSA-N	CN1C(=O)c2ccccc2N(C)c3nc(Nc4ccc(cc4)N5CCC(O)CC5)ncc13	HMS_LINCS	10106	10106-101-1	Nathanael Gray (DFCI)	XMD-12	synthesized 1/2009					430.211724132							91380
