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
20349	Sorafenib	LSM-1008	[11C]-Sorafenib; Nexavar; Sorafenib; BAY-439006; BAY-43-9006; BAY-54-9085; Sorafenib Tosylate	216239	InChI=1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)	MLDQJTXFUGDVEO-UHFFFAOYSA-N	CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)cc2)ccn1	HMS_LINCS	10008	10008-101-1	LC-labs	S-8599	SFB-102					464.086302722							50924, 50928
20349	Lapatinib	LSM-1051	Tykerb; Lapatinib; Tyverb; GW-2016; GW-572016; GW572016F; 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	10051-104-1	Haoyuan chemexpress	HY-50898	HY-999-20101220	CS(=O)(CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(Cl)=C(C=C4)OCC5=CC(F)=CC=C5)=O.CC6=CC=C(S(=O)(O)=O)C=C6.CC7=CC=C(S(=O)(O)=O)C=C7	CS(=O)(CCNCC1=CC=C(O1)C2=CC3=C(C=C2)N=CN=C3NC4=CC(Cl)=C(C=C4)OCC5=CC(F)=CC=C5)=O.CC6=CC=C(S(=O)(O)=O)C=C6.CC7=CC=C(S(=O)(O)=O)C=C7			580.134731952							49603
20349	Erlotinib	LSM-1097	Tarceva; Erlotinib; R-1415; OSI-774; RG-1415; CP-358774; RO-508231; 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	10097-101-1	Haoyuan chemexpress	HY-50896	HY-50896-20110114					393.168856246							114785, 53509
20349	Sunitinib	LSM-46130		3086686	InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)	WINHZLLDWRZWRT-UHFFFAOYSA-N	CCN(CC)CCNC(=O)c1c(C)[nH]c(C=C2C(=O)Nc3ccc(F)cc23)c1C		10175-106	10175-106-4	Haoyuan chemexpress		08828					398.211804344							
