smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1cc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)ccc1S(=O)(=O)O	108519777	FDYSBHKUFSCUAV-AYHFEMFVSA-N	350.305	-1.308	5	40	FABB	
O=C(NC[C@H](O)CO)c1cc(C(=O)NC[C@@H](O)CO)cc([N+](=O)[O-])c1	21993005	LJEBHEAPZMNBSI-TXEJJXNPSA-N	357.319	-2.239	5	40	FABB	in-vitro
CCOC(=O)c1nnn(-c2nonc2N)c1Cn1cnc([N+](=O)[O-])n1	2189013	FOPMVYBTIFRCHM-UHFFFAOYSA-N	350.255	-1.043	5	40	FABB	
O=[N+]([O-])c1cc(N[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1S(=O)(=O)O	12320972	FDYSBHKUFSCUAV-DQDDRIPDSA-N	350.305	-1.308	5	40	FABB	
COCCn1c(N)c(C(=O)Cn2cc([N+](=O)[O-])ccc2=O)c(=O)[nH]c1=O	12914968	XUIKMYYZOWSGBD-UHFFFAOYSA-N	365.302	-1.282	5	40	FABB	
O=[N+]([O-])c1cc(N[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)ccc1S(=O)(=O)O	12320971	FDYSBHKUFSCUAV-APHKKCJPSA-N	350.305	-1.308	5	40	FABB	
CNC(=O)C(=O)NC[C@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	12080624	BRJPLZXTTQAQSN-LLVKDONJSA-N	372.359	-1.196	5	40	FABB	
Cn1[nH]c(=O)c2c(c1=O)c1c(=O)[nH]n(C)c(=O)c1c1c(=O)[nH]n(C)c(=O)c21	256055642	OHLZKOLZIYXSAF-UHFFFAOYSA-N	372.297	-2.693	5	40	FABB	
O=C(NC[C@H](O)CO)c1cc(C(=O)NC[C@H](O)CO)cc([N+](=O)[O-])c1	21993010	LJEBHEAPZMNBSI-RYUDHWBXSA-N	357.319	-2.239	5	40	FABB	in-vitro
O=C(NC[C@@H](O)CO)c1cc(C(=O)NC[C@@H](O)CO)cc([N+](=O)[O-])c1	21993008	LJEBHEAPZMNBSI-VXGBXAGGSA-N	357.319	-2.239	5	40	FABB	in-vitro
CNC(=O)C(=O)NC[C@@H]1OCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	8684066	BRJPLZXTTQAQSN-NSHDSACASA-N	372.359	-1.196	5	40	FABB