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
20267	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
20267	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
20267	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
20267	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
