smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[C@@]1(NC(=O)CC[N+](C)(C)CCO)CS(=O)(=O)C[C@@H]1S(=O)(=O)O	2346903	SZMYHYPYZPRCIX-CMPLNLGQSA-O	373.473	-1.995	5	50	FABA	
O=c1nc2n(C[C@H](O)[C@H](O)[C@H](O)CO)c3cc(O)ccc3cc-2c(=O)[nH]1	100069844	AUEILLWDYUBWCM-XQQFMLRXSA-N	363.326	-2.030	5	50	FABA	in-vitro
O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)ccc1S(=O)(=O)O	245239825	FDYSBHKUFSCUAV-CPOMMVLXSA-N	350.305	-1.308	5	50	FABA	
C[C@@]1(NC(=O)CC[N+](C)(C)CCO)CS(=O)(=O)C[C@H]1S(=O)(=O)O	5493843	SZMYHYPYZPRCIX-ZYHUDNBSSA-O	373.473	-1.995	5	50	FABA	
O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)ccc1S(=O)(=O)O	226939768	FDYSBHKUFSCUAV-CDEVMZEPSA-N	350.305	-1.308	5	50	FABA	
C[C@]1(NC(=O)CC[N+](C)(C)CCO)CS(=O)(=O)C[C@@H]1S(=O)(=O)O	2346904	SZMYHYPYZPRCIX-JQWIXIFHSA-O	373.473	-1.995	5	50	FABA	
O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)ccc1S(=O)(=O)O	245239827	FDYSBHKUFSCUAV-DMLMCSCLSA-N	350.305	-1.308	5	50	FABA	
C[C@]1(NC(=O)CC[N+](C)(C)CCO)CS(=O)(=O)C[C@H]1S(=O)(=O)O	5493842	SZMYHYPYZPRCIX-PWSUYJOCSA-O	373.473	-1.995	5	50	FABA