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
20136	MK-2206	LSM-1057	MK2206; MK-2206; MK-2206 2HCL	24964624	InChI=1S/C25H21N5O/c26-25(12-4-13-25)18-9-7-17(8-10-18)22-19(16-5-2-1-3-6-16)15-20-21(27-22)11-14-30-23(20)28-29-24(30)31/h1-3,5-11,14-15H,4,12-13,26H2,(H,29,31)	ULDXWLCXEDXJGE-UHFFFAOYSA-N	NC1(CCC1)c2ccc(cc2)c3nc4C=CN5C(=O)NN=C5c4cc3c6ccccc6	HMS_LINCS	10057	10057-102-1	Haoyuan chemexpress	HY-10358	HY-999-20100504	O=C1N(C=CC2=C3C=C(C(C4=CC=C(C=C4)C5(CCC5)N)=N2)C6=CC=CC=C6)C3=NN1.Cl.Cl	O=C1N(C=CC2=C3C=C(C(C4=CC=C(C=C4)C5(CCC5)N)=N2)C6=CC=CC=C6)C3=NN1.Cl.Cl			407.174610342							67271
20136	Gefitinib	LSM-1098	Iressa; Gefitinib; ZD1839; ZD-1839	123631	InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)	XGALLCVXEZPNRQ-UHFFFAOYSA-N	COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN4CCOCC4	HMS_LINCS	10098	10098-101-2								446.152096578							49668
20136	GSK-1059615	LSM-42798	GSK615; GSK1059615	23582824	InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-	QDITZBLZQQZVEE-YBEGLDIGSA-N	O=C1NC(=O)\C(=C\c2ccc3nccc(c4ccncc4)c3c2)\S1	HMS_LINCS	10172	10172-101-2								333.057197312							
20136	Dactolisib	LSM-4255	Dactolisib; BEZ235; BEZ-235; BEZ 235; NVP-BEZ235; NVP-BEZ235-NX; NVP-BEZ235-ANA; BEZ235 (NVP-BEZ235, DACTOLISIB); Dactolisib Tosylate	11977753	InChI=1S/C30H23N5O/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36/h4-17H,1-3H3	JOGKUKXHTYWRGZ-UHFFFAOYSA-N	CN1C(=O)N(c2ccc(cc2)C(C)(C)C#N)c3c1cnc4ccc(cc34)c5cnc6ccccc6c5	HMS_LINCS	10232	10232-101-2	Selleck Chemicals							469.190260406							71952
20136	Triciribine	LSM-3810	NSC-154020	65399	InChI=1S/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)/t6-,8-,9-,13-/m1/s1	HOGVTUZUJGHKPL-HTVVRFAVSA-N	CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c4ncnc1c24	HMS_LINCS	10280	10280-999-2								320.123303052							65310
20136	PP-242	LSM-6357	Torkinib; PP242	57347681	InChI=1S/C16H16N6O/c1-8(2)22-16-13(15(17)18-7-19-16)14(21-22)12-6-9-5-10(23)3-4-11(9)20-12/h3-8,20,23H,1-2H3,(H2,17,18,19)	MFAQYJIYDMLAIM-UHFFFAOYSA-N	CC(C)n1nc(c2cc3cc(O)ccc3[nH]2)c4c(N)ncnc14	HMS_LINCS	10345-999	10345-999-1								308.138559192							90679
