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
20003	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	10021-101-3	Selleck Chemicals	S1048	S104802					464.210678286							91336
20003	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							
20003	GSK-1070916	LSM-1062	GSK1070916; KIN001-216	46885626	InChI=1S/C30H33N7O/c1-6-37-19-26(28(34-37)21-10-12-23(13-11-21)32-30(38)36(4)5)24-14-15-31-29-25(24)17-27(33-29)22-9-7-8-20(16-22)18-35(2)3/h7-17,19H,6,18H2,1-5H3,(H,31,33)(H,32,38)	QTBWCSQGBMPECM-UHFFFAOYSA-N	CCn1cc(c2ccnc3[nH]c(cc23)c4cccc(CN(C)C)c4)c(n1)c5ccc(NC(=O)N(C)C)cc5	HMS_LINCS	10062	10062-101-2	Haoyuan Chemexpress	HY-70044	HM-040_TM-20100709					507.274658746							91362
20003	Aurora A Inhibitor I	LSM-1065	KIN001-220; GENENTECH 10	44139710	InChI=1S/C31H31ClFN7O2/c1-2-39-15-17-40(18-16-39)28(41)19-21-7-11-24(12-8-21)36-31-34-20-26(33)29(38-31)35-23-13-9-22(10-14-23)30(42)37-27-6-4-3-5-25(27)32/h3-14,20H,2,15-19H2,1H3,(H,37,42)(H2,34,35,36,38)	AKSIZPIFQAYJGF-UHFFFAOYSA-N	CCN1CCN(CC1)C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(cc4)C(=O)Nc5ccccc5Cl)n3)cc2	HMS_LINCS	10065	10065-101-2	Haoyuan Chemexpress	HY-70061	HM-047_6-20100625					587.221179212							91365
20003	MLN-8054	LSM-1066	MLN8054; MLN-8054	11712649	InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	HHFBDROWDBDFBR-UHFFFAOYSA-N	OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4c3n2)c5c(F)cccc5F)cc1	HMS_LINCS	10066	10066-101-2	Haoyuan Chemexpress	HY-10180	HM-048_9-20100712					476.08515987							91366
20003	AZD-1152-HQPA	LSM-1067	Barasertib; CJD-AUR-7-1; AZD1152-HQPA; AZD-1152-HQPA; AZD1152-HQPA(BARASERTIB)	16007391	InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)	QYZOGCMHVIGURT-UHFFFAOYSA-N	CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1	HMS_LINCS	10067	10067-101-2	Axon Medchem	1580	aliquoted 10/10					507.23941609							91367
20003	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							
20003	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
