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
20259	Neratinib	LSM-42778	Neratinib; HKI-272; CDP-820; WAY-179272; NERATINIB (HKI-272)	9915743	InChI=1S/C30H29ClN6O3/c1-4-39-28-16-25-23(15-26(28)36-29(38)9-7-13-37(2)3)30(20(17-32)18-34-25)35-21-10-11-27(24(31)14-21)40-19-22-8-5-6-12-33-22/h5-12,14-16,18H,4,13,19H2,1-3H3,(H,34,35)(H,36,38)/b9-7+	JWNPDZNEKVCWMY-VQHVLOKHSA-N	CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)\C=C\CN(C)C	HMS_LINCS	10018	10018-101-1	Haoyuan chemexpress	HY-32721	HM-016_11-20100622					556.198966558							
20259	TAE-684	LSM-1024	NVP-TAE684	16038120	InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35)	QQWUGDVOUVUTOY-UHFFFAOYSA-N	COc1cc(ccc1Nc2ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n2)N4CCC(CC4)N5CCN(C)CC5	HMS_LINCS	10024	10024-101-1	Haoyuan chemexpress	HY-10192	HM-035_TM-20100518					613.26018661							91338
20259	Saracatinib	LSM-1032	Saracatinib; AZD0530; AZD-0530; AZ-10353926; AZD-0530 DIFUMARATE; SARACATINIB (AZD0530); Saracatinib Difumarate	10302451	InChI=1S/C27H32ClN5O5/c1-32-6-8-33(9-7-32)10-13-35-19-14-21-24(23(15-19)38-18-4-11-34-12-5-18)27(30-16-29-21)31-25-20(28)2-3-22-26(25)37-17-36-22/h2-3,14-16,18H,4-13,17H2,1H3,(H,29,30,31)	OUKYUETWWIPKQR-UHFFFAOYSA-N	CN1CCN(CCOc2cc(OC3CCOCC3)c4c(Nc5c(Cl)ccc6OCOc56)ncnc4c2)CC1	HMS_LINCS	10032	10032-101-1	Haoyuan chemexpress	HY-10234	HY-999-20100409					541.209196884							
20259	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	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
20259	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	10056-101-1	Haoyuan chemexpress	HY-50706	HM-023_9-20101129					456.00000889							90227
20259	Trametinib	LSM-1143	Mekinist; Trametinib; JTP-74057; GSK1120212; GSK1120212B; GSK-1120212; Trametinib Dimethyl Sulfoxide	11707110	InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)	LIRYPHYGHXZJBZ-UHFFFAOYSA-N	CN1C(=O)C(=C2N(C(=O)N(C3CC3)C(=O)C2=C1Nc4ccc(I)cc4F)c5cccc(NC(=O)C)c5)C	HMS_LINCS	10142	10142-101-1	Haoyuan chemexpress	HY-10999						615.077875466							75991, 75998
20259	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	10232-101-1	Haoyuan chemexpress	HY-50673	HY-158_TM-20110106					469.190260406							71952
20259	Alpelisib	LSM-4256	Alpelisib; BYL719; BYL-719; NVP-BYL719	56649450	InChI=1S/C19H22F3N5O2S/c1-10-14(11-6-7-24-13(9-11)18(2,3)19(20,21)22)30-16(25-10)26-17(29)27-8-4-5-12(27)15(23)28/h6-7,9,12H,4-5,8H2,1-3H3,(H2,23,28)(H,25,26,29)/t12-/m0/s1	STUWGJZDJHPWGZ-LBPRGKRZSA-N	Cc1nc(NC(=O)N2CCC[C@H]2C(=O)N)sc1c3ccnc(c3)C(C)(C)C(F)(F)F	HMS_LINCS	10233	10233-101-1	Haoyuan chemexpress	HY-15244	HM-206_014-20120614					441.144630284							93752
