smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)c1ccccc1NC(=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000045349352	202549937	/nfs/dbraw/zinc/54/99/37/202549937.db2.gz	SCIXTMQLHIMUID-UHFFFAOYSA-N	0	1	329.356	4.242	1	5		EIBFMN
O=[N+]([O-])c1ccc(-c2cc(-c3ccc(Br)cc3)[nH]n2)cc1	ZINC000049112314	202616386	/nfs/dbraw/zinc/61/63/86/202616386.db2.gz	ZBQHENCJXKUWKK-UHFFFAOYSA-N	0	1	344.168	4.414	1	5		EIBFMN
CN1CCN(c2nc3ccccc3c3c4ccccc4ccc23)CC1	ZINC000013742149	135702883	/nfs/dbraw/zinc/70/28/83/135702883.db2.gz	ASUOWQNSLNMXFU-UHFFFAOYSA-N	0	1	327.431	4.293	1	5		EIBFMN
c1nc(-c2cccc3c4cnccc4c(Nc4ccccc4)nc23)n[nH]1	ZINC000073157699	203258763	/nfs/dbraw/zinc/25/87/63/203258763.db2.gz	SUWUBTVCKQZMPW-UHFFFAOYSA-N	0	1	338.374	4.312	1	5		EIBFMN