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
MK-2206	LSM-1057	MK-2206, MK2206	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	BroadT	BRD-K68065987	BRD-K68065987-300-03-4	Selleck	S1078		Cl.Cl	NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1.Cl.Cl	InChI=1S/C25H21N5O.2ClH/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);2*1H	HWUHTJIKQZZBRA-UHFFFAOYSA-N	407.174610342							67271
PD-0325901	LSM-1101	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	BroadT	BRD-K49865102	BRD-K49865102-001-01-9	Selleck	S1036	S103602		OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	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	481.995034548							88249
TORIN1	LSM-1079	Torin-1, Torin1	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	BroadT	BRD-K40175214	BRD-K40175214-001-01-7	Harvard Medical School	Torin1	Torin1		CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1	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	607.219509786							84327
Pictilisib	LSM-1047	Pictilisib, GDC-0941, RG-7321	17755052	InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	LHNIIDJUOCFXAP-UHFFFAOYSA-N	CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)c5cccc6[nH]ncc56)CC1	BroadT	BRD-K52911425	BRD-K52911425-001-02-3	Harvard Medical School	GDC-0941	KIN001-153		CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1	InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	LHNIIDJUOCFXAP-UHFFFAOYSA-N	513.161679174							65326, 65326
WYE 125132	LSM-1064	WYE-125132	25260757	InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)	QLHHRYZMBGPBJG-UHFFFAOYSA-N	CNC(=O)Nc1ccc(cc1)c2nc(N3CC4CCC(C3)O4)c5cnn(C6CCC7(CC6)OCCO7)c5n2	BroadT	BRD-A45498368	BRD-A45498368-001-02-2	Shanghai Haoyuan Chemexpress Co., Ltd.	HY-10044			CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1	InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)	QLHHRYZMBGPBJG-UHFFFAOYSA-N	519.259402606							91364
PD-0325901	LSM-1101	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	BroadT	BRD-K49865102	BRD-K49865102-001-02-7	Shanghai Haoyuan Chemexpress Co., Ltd.	HY-10254			OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	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	481.995034548							88249
Pictilisib	LSM-1047	Pictilisib, GDC-0941, RG-7321	17755052	InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	LHNIIDJUOCFXAP-UHFFFAOYSA-N	CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)c5cccc6[nH]ncc56)CC1	BroadT	BRD-K52911425	BRD-K52911425-001-01-5	Selleck	S1065	S106505		CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1	InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	LHNIIDJUOCFXAP-UHFFFAOYSA-N	513.161679174							65326, 65326
Pictilisib	LSM-1047	Pictilisib, GDC-0941, RG-7321	17755052	InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	LHNIIDJUOCFXAP-UHFFFAOYSA-N	CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)c5cccc6[nH]ncc56)CC1	BroadT	BRD-K52911425	BRD-K52911425-001-04-9	Harvard University	GDC-0941	GDC-0941-1		CS(=O)(=O)N1CCN(Cc2cc3nc(nc(N4CCOCC4)c3s2)-c2cccc3[nH]ncc23)CC1	InChI=1S/C23H27N7O3S2/c1-35(31,32)30-7-5-28(6-8-30)15-16-13-20-21(34-16)23(29-9-11-33-12-10-29)26-22(25-20)17-3-2-4-19-18(17)14-24-27-19/h2-4,13-14H,5-12,15H2,1H3,(H,24,27)	LHNIIDJUOCFXAP-UHFFFAOYSA-N	513.161679174							65326, 65326
MK-2206	LSM-1057	MK-2206, MK2206	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	BroadT	BRD-K68065987	BRD-K68065987-300-06-7	Shanghai Haoyuan Chemexpress Co., Ltd.	HY-10358	HY-999-20100504	Cl.Cl	NC1(CCC1)c1ccc(cc1)-c1nc2ccn3c(n[nH]c3=O)c2cc1-c1ccccc1.Cl.Cl	InChI=1S/C25H21N5O.2ClH/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);2*1H	HWUHTJIKQZZBRA-UHFFFAOYSA-N	407.174610342							67271
TORIN1	LSM-1079	Torin-1, Torin1	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	BroadT	BRD-K40175214	BRD-K40175214-001-03-3	Harvard University	Torin1	Torin1-1		CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1	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	607.219509786							84327
WYE 125132	LSM-1064	WYE-125132	25260757	InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)	QLHHRYZMBGPBJG-UHFFFAOYSA-N	CNC(=O)Nc1ccc(cc1)c2nc(N3CC4CCC(C3)O4)c5cnn(C6CCC7(CC6)OCCO7)c5n2	BroadT	BRD-A45498368	BRD-A45498368-001-03-0	Shanghai Haoyuan Chemexpress Co., Ltd.	HY-10044	HM-057_16-20100825		CNC(=O)Nc1ccc(cc1)-c1nc(N2CC3CCC(C2)O3)c2cnn(C3CCC4(CC3)OCCO4)c2n1	InChI=1S/C27H33N7O4/c1-28-26(35)30-18-4-2-17(3-5-18)23-31-24(33-15-20-6-7-21(16-33)38-20)22-14-29-34(25(22)32-23)19-8-10-27(11-9-19)36-12-13-37-27/h2-5,14,19-21H,6-13,15-16H2,1H3,(H2,28,30,35)	QLHHRYZMBGPBJG-UHFFFAOYSA-N	519.259402606							91364
PD-0325901	LSM-1101	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	BroadT	BRD-K49865102	BRD-K49865102-001-04-3	Shanghai Haoyuan Chemexpress Co., Ltd.	HY-10254	HY-10254-20110114		OC[C@@H](O)CONC(=O)c1ccc(F)c(F)c1Nc1ccc(I)cc1F	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	481.995034548							88249
TORIN1	LSM-1079	Torin-1, Torin1	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	BroadT_LINCS	BRD-K40175214	BRD-K40175214-001-04-1	Fisher	NC0183912	4247/10		CCC(=O)N1CCN(CC1)c1ccc(cc1C(F)(F)F)-n1c2c(ccc1=O)cnc1ccc(cc21)-c1cnc2ccccc2c1	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	607.219509786							84327
