smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc([N+](=O)[O-])ccc1N(C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)[C@@H](CCCNC(=N)N)C(N)=O	575629574	SCDOXXBRMXYION-XIRDDKMYSA-N	532.558	-0.677	5	20	KBBD	
CC(/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=C\C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O	936069661	QBZWPZHDUZGTLS-BLHQOJFRSA-N	652.690	-0.874	5	20	KBBD	in-vitro
CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1	514300736	SGQIPXYQRQXQFM-UHFFFAOYSA-N	510.617	-0.040	5	20	KBBD	
CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)c1	514386136	FJNBNOYJHQNROZ-UHFFFAOYSA-N	513.554	-0.460	5	20	KBBD	
CCOC(=O)C=c1sc(=Cc2cc(OC)c(OC)cc2[N+](=O)[O-])c(=O)n1CC(=O)N1CCOCC1	514297638	QFFAYJGSWNDWLL-UHFFFAOYSA-N	507.521	-0.134	5	20	KBBD