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_comments	sm_chebi_id
20366	AZD-8055	LSM-1007	AZD8055; AZD-8055; AZ-12600000	25262965	InChI=1S/C25H31N5O4/c1-16-14-33-10-8-29(16)24-20-5-6-21(18-4-7-22(32-3)19(12-18)13-31)26-23(20)27-25(28-24)30-9-11-34-15-17(30)2/h4-7,12,16-17,31H,8-11,13-15H2,1-3H3/t16-,17-/m0/s1	KVLFRAWTRWDEDF-IRXDYDNUSA-N	COc1ccc(cc1CO)c2ccc3c(nc(nc3n2)N4CCOC[C@@H]4C)N5CCOC[C@@H]5C	HMS_LINCS	10007-101	10007-101-2	MedChem Express	HY-10422	3032					465.237604522								91329
20366	SCHEMBL17052537	LSM-5803	QL-X-138	73707530	InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)	JMVDIGHUQAXWIE-UHFFFAOYSA-N	Cc1ccc(cc1NC(=O)C=C)N2C(=O)C=Cc3cnc4ccc(cc4c23)c5cn[nH]c5	HMS_LINCS	10075	10075-101-1	Nathanael Gray (DFCI)	QL-X-138	QL-X-138-1					421.153874898								94724
20366	QL47	LSM-6019	QL-XII-47	71748056	InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3	RTRNJQOBEOISFQ-UHFFFAOYSA-N	Cn1cc(cn1)c2ccc3ncc4C=CC(=O)N(c5ccc6CCN(C(=O)C=C)c6c5)c4c3c2	HMS_LINCS	10077	10077-101-1	Nathanael Gray (DFCI)	QL-XII-47	QL-XII-47-1					447.169524962								94815
20366	TORIN1	LSM-1079	TORIN1; TORIN 1	49836027	InChI=1S/C35H28F3N5O2/c1-2-32(44)42-15-13-41(14-16-42)31-11-9-26(19-28(31)35(36,37)38)43-33(45)12-8-24-20-40-30-10-7-22(18-27(30)34(24)43)25-17-23-5-3-4-6-29(23)39-21-25/h3-12,17-21H,2,13-16H2,1H3	AKCRNFFTGXBONI-UHFFFAOYSA-N	CCC(=O)N1CCN(CC1)c2ccc(cc2C(F)(F)F)N3C(=O)C=Cc4cnc5ccc(cc5c34)c6cnc7ccccc7c6	HMS_LINCS	10079	10079-101-1	Nathanael Gray (DFCI)	Torin1	Torin1-1					607.219509786								84327
20366	TORIN-2	LSM-1080	TORIN2	51358113	InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)	GUXXEUUYCAYESJ-UHFFFAOYSA-N	Nc1ccc(cn1)c2ccc3ncc4C=CC(=O)N(c5cccc(c5)C(F)(F)F)c4c3c2	HMS_LINCS	10080-101	10080-101-2	MedChem Express	HY-13002	8570					432.11979574								90682
20366	QL-IV-100	LSM-46216		51350809	InChI=1S/C28H18FN3O/c1-17-12-22(8-9-24(17)29)32-27(33)11-7-20-15-31-26-10-6-18(14-23(26)28(20)32)21-13-19-4-2-3-5-25(19)30-16-21/h2-16H,1H3	RUPDNWMDBOSZPV-UHFFFAOYSA-N	Cc1cc(ccc1F)N2C(=O)C=Cc3cnc4ccc(cc4c23)c5cnc6ccccc6c5	HMS_LINCS	12001-101	12001-101-1	Nathanael Gray (DFCI)	QL-IV-100-1			CC1=C(F)C=CC(=C1)N1C(=O)C=CC2=C1C1=CC(=CC=C1N=C2)C1=CN=C2C=CC=CC2=C1			431.143390426000224								
20366	QL-V-107	LSM-46217		51350810	InChI=1S/C22H15FN4O/c1-13-8-17(4-5-19(13)23)27-21(28)7-3-15-10-24-20-6-2-14(9-18(20)22(15)27)16-11-25-26-12-16/h2-12H,1H3,(H,25,26)	KWNMYUCUGZGVSI-UHFFFAOYSA-N	Cc1cc(ccc1F)N2C(=O)C=Cc3cnc4ccc(cc4c23)c5cn[nH]c5	HMS_LINCS	12002-101	12002-101-1	Nathanael Gray (DFCI)	QL-V-107-1			CC1=C(F)C=CC(=C1)N1C(=O)C=CC2=C1C1=CC(=CC=C1N=C2)C1=CNN=C1			370.122989340000117								
20366	QL-V-73	LSM-46218		51350918	InChI=1S/C23H17FN4O/c1-14-9-18(5-6-20(14)24)28-22(29)8-4-16-11-25-21-7-3-15(10-19(21)23(16)28)17-12-26-27(2)13-17/h3-13H,1-2H3	VGZQPKZHFCOZCW-UHFFFAOYSA-N	Cc1cc(ccc1F)N2C(=O)C=Cc3cnc4ccc(cc4c23)c5cnn(C)c5	HMS_LINCS	12003-101	12003-101-1	Nathanael Gray (DFCI)	QL-V-73-1			CN1C=C(C=N1)C1=CC=C2N=CC3=C(N(C(=O)C=C3)C3=CC(C)=C(F)C=C3)C2=C1			384.138639404000116								
20366	QL-VI-86	LSM-46219		51351030	InChI=1S/C22H14ClFN4O/c1-27-12-15(11-26-27)13-2-6-20-17(8-13)22-14(10-25-20)3-7-21(29)28(22)16-4-5-19(24)18(23)9-16/h2-12H,1H3	XVNYMUGONCJJAN-UHFFFAOYSA-N	Cn1cc(cn1)c2ccc3ncc4C=CC(=O)N(c5ccc(F)c(Cl)c5)c4c3c2	HMS_LINCS	12004-101	12004-101-1	Nathanael Gray (DFCI)	QL-VI-86-1			CN1C=C(C=N1)C1=CC=C2N=CC3=C(N(C(=O)C=C3)C3=CC(Cl)=C(F)C=C3)C2=C1			404.084017018000111								
20366	QL-VIII-58	LSM-46220		58525121	InChI=1S/C26H22ClN7O/c27-21-12-19(3-5-23(21)33-9-7-29-8-10-33)34-24(35)6-2-17-13-30-22-4-1-16(11-20(22)25(17)34)18-14-31-26(28)32-15-18/h1-6,11-15,29H,7-10H2,(H2,28,31,32)	PDSFQQWASKSYPY-UHFFFAOYSA-N	Nc1ncc(cn1)c2ccc3ncc4C=CC(=O)N(c5ccc(N6CCNCC6)c(Cl)c5)c4c3c2	HMS_LINCS	12005-101	12005-101-1	Nathanael Gray (DFCI)	QL-VIII-58-1			NC1=NC=C(C=N1)C1=CC=C2N=CC3=C(N(C(=O)C=C3)C3=CC(Cl)=C(C=C3)N3CCNCC3)C2=C1			483.157436104000169								
20366	QL-XII-108	LSM-46221		137348155	InChI=1S/C25H21N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h4-14H,3H2,1-2H3,(H,27,28)(H,29,31)	FGMGIQHLZVOAHB-UHFFFAOYSA-N	CCC(=O)Nc1cc(ccc1C)N2C(=O)C=Cc3cnc4ccc(cc4c23)c5cn[nH]c5	HMS_LINCS	12006-101	12006-101-1	Nathanael Gray (DFCI)	QL-XII-108-1			CCC(=O)NC1=C(C)C=CC(=C1)N1C(=O)C=CC2=C1C1=CC(=CC=C1N=C2)C1=CNN=C1			423.169524962000139								
20366	QL-XII-61	LSM-46222		71576693	InChI=1S/C29H24N4O4S/c1-4-27(34)31-26-16-23(12-5-18(26)2)33-28(35)14-9-21-17-30-25-13-8-20(15-24(25)29(21)33)19-6-10-22(11-7-19)32-38(3,36)37/h4-17,32H,1H2,2-3H3,(H,31,34)	SFMJNHNUOVADRW-UHFFFAOYSA-N	Cc1ccc(cc1NC(=O)C=C)N2C(=O)C=Cc3cnc4ccc(cc4c23)c5ccc(NS(=O)(=O)C)cc5	HMS_LINCS	12007-101	12007-101-1	Nathanael Gray (DFCI)	QL-XII-61-1			CC1=C(NC(=O)C=C)C=C(C=C1)N1C(=O)C=CC2=C1C1=CC(=CC=C1N=C2)C1=CC=C(NS(C)(=O)=O)C=C1			524.151825978000261								
