smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](COC(C)=O)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	102210833	IMQGAARHTLJIRK-WPVAHCMFSA-N	468.415	0.630	5	30	JCBC	
CC(C)(C)OC(=O)N[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)NC(=O)CN	200265238	LVXUNSXRMFZIGI-HOTGVXAUSA-N	463.491	0.623	5	30	JCBC	
CC(=O)N[C@H]1[C@@H](Oc2ccc([N+](=O)[O-])cc2)O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	96030887	IMQGAARHTLJIRK-YHDCXSKOSA-N	468.415	0.630	5	30	JCBC	
CC(=O)N[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](COC(C)=O)O[C@@H]1Oc1ccc([N+](=O)[O-])cc1	102210838	IMQGAARHTLJIRK-SLHNCBLASA-N	468.415	0.630	5	30	JCBC	
NCCSC[C@H]1O[C@@H](n2cnc3c(NCc4ccc([N+](=O)[O-])cc4)ncnc32)[C@H](O)[C@@H]1O	31476343	OAFPVFZXWPVEBS-NVQRDWNXSA-N	461.504	0.658	5	30	JCBC	in-vitro
COc1c(O)cc2c(=O)oc3c(OC)c(O[C@H]4O[C@H](C)[C@@H](O)[C@H](O)[C@@H]4O)cc4c(=O)oc1c2c34	238764601	KPDPOBDXMGDJQN-BYLSZLGLSA-N	476.390	0.420	5	30	JCBC	
O=C(CNC(=O)[C@H](Cc1ccccc1)NC(=O)CN1C(=O)CCC1=O)Nc1ccc([N+](=O)[O-])cc1	15722078	YBHICHMUSRMLOH-SFHVURJKSA-N	481.465	0.526	5	30	JCBC	
O=c1c2cc(S(=O)(=O)N3CCOCC3)ccc2oc2ccc(S(=O)(=O)N3CCOCC3)cc12	1616057373	GZJXUAQRPWSQOC-UHFFFAOYSA-N	494.547	0.988	5	30	JCBC	
CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)Nc1ccc([N+](=O)[O-])cc1	15722303	JJYSJBMKKZTIOY-LNMJFAINSA-N	490.561	0.907	5	30	JCBC