smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)c3ccc(S(=O)(=O)F)cc3)O2)c(=O)[nH]c1=O	169289924	MVIBENONYJYITO-MJBXVCDLSA-N	427.410	-0.418	70	1	IBIF	
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3cccc(S(=O)(=O)F)c3)O2)c(=O)[nH]c1=O	105399897	SHBQFTPCMASDHU-MCIONIFRSA-N	427.410	-0.418	70	1	IBIF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3ccc(S(=O)(=O)F)cc3)O2)c(=O)[nH]c1=O	169289925	MVIBENONYJYITO-BFHYXJOUSA-N	427.410	-0.418	70	1	IBIF	
O=C(Cc1ccccc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(OS(=O)(=O)C(F)(F)F)NC[C@H]12	9575110	PTVCLVRGKCDEJP-KOLCDFICSA-N	449.363	-0.352	70	1	IBIF	
Cc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)c3cccc(S(=O)(=O)F)c3)O2)c(=O)[nH]c1=O	169289875	SHBQFTPCMASDHU-BFHYXJOUSA-N	427.410	-0.418	70	1	IBIF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](CNC(=O)c3cccc(S(=O)(=O)F)c3)O2)c(=O)[nH]c1=O	105399893	SHBQFTPCMASDHU-MGPQQGTHSA-N	427.410	-0.418	70	1	IBIF	
Cc1cn([C@@H]2C[C@H](O)[C@H](CNC(=O)c3ccc(S(=O)(=O)F)cc3)O2)c(=O)[nH]c1=O	42764944	MVIBENONYJYITO-IHRRRGAJSA-N	427.410	-0.418	70	1	IBIF	
Cc1cn([C@@H]2C[C@H](O)[C@H](CNC(=O)c3cccc(S(=O)(=O)F)c3)O2)c(=O)[nH]c1=O	42764902	SHBQFTPCMASDHU-IHRRRGAJSA-N	427.410	-0.418	70	1	IBIF	
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CNC(=O)c3ccc(S(=O)(=O)F)cc3)O2)c(=O)[nH]c1=O	105398453	MVIBENONYJYITO-MCIONIFRSA-N	427.410	-0.418	70	1	IBIF	
CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@H](OS(=O)(=O)F)[C@H]2S(=O)(=O)C1(C)C	43799359	OEYCCDDQNDSCPV-OYNCUSHFSA-N	445.443	-0.580	70	1	IBIF	
Cc1cn([C@H]2C[C@@H](O)[C@@H](CNC(=O)c3ccc(S(=O)(=O)F)cc3)O2)c(=O)[nH]c1=O	105398449	MVIBENONYJYITO-MGPQQGTHSA-N	427.410	-0.418	70	1	IBIF	
Cc1cn([C@@H]2C[C@@H](O)[C@H](CNC(=O)c3cccc(S(=O)(=O)F)c3)O2)c(=O)[nH]c1=O	42764912	SHBQFTPCMASDHU-RDBSUJKOSA-N	427.410	-0.418	70	1	IBIF	
Cc1cn([C@@H]2C[C@H](O)[C@@H](CNC(=O)c3cccc(S(=O)(=O)F)c3)O2)c(=O)[nH]c1=O	169289874	SHBQFTPCMASDHU-MJBXVCDLSA-N	427.410	-0.418	70	1	IBIF	
Cc1cn([C@@H]2C[C@@H](O)[C@H](CNC(=O)c3ccc(S(=O)(=O)F)cc3)O2)c(=O)[nH]c1=O	42764953	MVIBENONYJYITO-RDBSUJKOSA-N	427.410	-0.418	70	1	IBIF