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
20266	Lapatinib	LSM-1051	Tykerb; Lapatinib; Tyverb; GW-2016; GW572016F; GW-572016; Lapatinib (gw-572016) ditosylate; Lapatinib Ditosylate; Lapatinib Ditosylate Monohydrate	208908	InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)	BCFGMOOMADDAQU-UHFFFAOYSA-N	CS(=O)(=O)CCNCc1oc(cc1)c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2	HMS_LINCS	10051-999	10051-999-7	LC Laboratories	not available						580.134731952							49603
20266	Selumetinib	LSM-1056	Selumetinib; AZD6244; AZD-6244; ARRY-886; ARRAY142886; ARRY-142886; AZD-6244 HYD-SULFATE; SELUMETINIB (AZD6244); AZD 6244 (ARRY-142886); AZD-6244 HYDROGEN SULFATE; Selumetinib Sulfate	10127622	InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)	CYOHGALHFOKKQC-UHFFFAOYSA-N	Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(cc12)C(=O)NOCCO	HMS_LINCS	10056-999	10056-999-4	Selleck Chemicals	not available						456.00000889							90227
20266	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	10057-102	10057-102-3	Selleck Chemicals	S1078	not available					407.174610342							67271
20266	Erlotinib	LSM-1097	Tarceva; Erlotinib; R-1415; OSI-774; RG-1415; RO-508231; CP-358774; CP-35877401; CP-358774-01; Erlotinib hcl (osi-744); Erlotinib HCl	176870	InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)	AAKJLRGGTJKAMG-UHFFFAOYSA-N	COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC	HMS_LINCS	10097-999	10097-999-5	Selleck Chemicals	not available						393.168856246							114785, 53509
20266	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	10098-999	10098-999-5	Selleck Chemicals	not available						446.152096578							49668
20266	PD-0325901	LSM-1101	PD-325901; PD0325901; PD-0325901	9826528	InChI=1S/C16H14F3IN2O4/c17-11-3-2-10(16(25)22-26-7-9(24)6-23)15(14(11)19)21-13-4-1-8(20)5-12(13)18/h1-5,9,21,23-24H,6-7H2,(H,22,25)/t9-/m1/s1	SUDAHWBOROXANE-SECBINFHSA-N	OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc2ccc(I)cc2F	HMS_LINCS	10101-101	10101-101-2	Selleck Chemicals	S1036	not available					481.995034548							88249
20266	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	10232-101	10232-101-4	Selleck Chemicals	S1009	not available					469.190260406							71952
20266	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	10280-101	10280-101-3	Selleck Chemicals	S1117	not available					320.123303052							65310
20266	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	10345-101	10345-101-4	Selleck Chemicals	S2218	not available					308.138559192							90679
