smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000005937855	845152997	/nfs/dbraw/zinc/15/29/97/845152997.db2.gz	BSNYCOMMWOJHFW-UKTHLTGXSA-N	-2	0	406.394	4.432	50	5		HIBARL
COc1cc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc([N+](=O)[O-])c1[O-]	ZINC000012817723	845892502	/nfs/dbraw/zinc/89/25/02/845892502.db2.gz	BEAAATIRNZWZID-XYOKQWHBSA-N	-2	0	400.412	4.324	50	5		HIBARL
O=[N+]([O-])c1cc(C(c2ccc([O-])c([N+](=O)[O-])c2)C(Cl)(Cl)Cl)ccc1[O-]	ZINC000003129722	568727600	/nfs/dbraw/zinc/72/76/00/568727600.db2.gz	JKRAQDSEBALHRP-UHFFFAOYSA-N	-2	0	407.593	4.416	50	5		HIBARL
O=C([O-])c1cc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc(C(=O)[O-])c1	ZINC000002929277	568816734	/nfs/dbraw/zinc/81/67/34/568816734.db2.gz	HRYNPYIWIYJMBQ-UHFFFAOYSA-N	-2	0	422.349	4.036	50	5		HIBARL
COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000097992967	559011087	/nfs/dbraw/zinc/01/10/87/559011087.db2.gz	BSNYCOMMWOJHFW-LCYFTJDESA-N	-2	0	406.394	4.432	50	5		HIBARL
O=C([O-])c1cc(NC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3)c2)cc(C(=O)[O-])c1	ZINC000002942586	568819178	/nfs/dbraw/zinc/81/91/78/568819178.db2.gz	NWFLFNQFTAZYPQ-UHFFFAOYSA-N	-2	0	422.349	4.036	50	5		HIBARL
COc1cc(/C=C(/CCC(=O)[O-])c2nc3ccccc3s2)cc([N+](=O)[O-])c1[O-]	ZINC000096767657	852555060	/nfs/dbraw/zinc/55/50/60/852555060.db2.gz	BEAAATIRNZWZID-WQLSENKSSA-N	-2	0	400.412	4.324	50	5		HIBARL
O=C([O-])c1ccc(Oc2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1C(=O)[O-]	ZINC000022205998	846545018	/nfs/dbraw/zinc/54/50/18/846545018.db2.gz	WWGGLHZRBGLTAO-UHFFFAOYSA-N	-2	0	422.349	4.036	50	5		HIBARL
O=c1[n-]c(C=Cc2ccccc2OCc2ccc3ccccc3c2)nc([O-])c1[N+](=O)[O-]	ZINC000009295543	571245888	/nfs/dbraw/zinc/24/58/88/571245888.db2.gz	AUILHTFAEYAOOQ-VAWYXSNFSA-N	-2	0	415.405	4.286	50	5		HIBARL
O=c1[n-]c(C=Cc2ccccc2OCc2cccc3ccccc32)nc([O-])c1[N+](=O)[O-]	ZINC000009295531	571245833	/nfs/dbraw/zinc/24/58/33/571245833.db2.gz	VQHMOMRMTUPPSZ-OUKQBFOZSA-N	-2	0	415.405	4.286	50	5		HIBARL
O=c1[n-]c(C=Cc2c(OCc3ccccc3)ccc3ccccc32)nc([O-])c1[N+](=O)[O-]	ZINC000009295547	571245857	/nfs/dbraw/zinc/24/58/57/571245857.db2.gz	XYNCEWFOVJFINX-ACCUITESSA-N	-2	0	415.405	4.286	50	5		HIBARL
O=C([O-])c1ccc(NC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1C(=O)[O-]	ZINC000003022461	568840524	/nfs/dbraw/zinc/84/05/24/568840524.db2.gz	XNCDQCNSCDFKCR-UHFFFAOYSA-N	-2	0	422.349	4.036	50	5		HIBARL