smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)C(=O)NC1CCCC1	ZINC000004246557	206215062	/nfs/dbraw/zinc/21/50/62/206215062.db2.gz	HTFHSGOVURKDIX-CQSZACIVSA-N	1	2	390.512	4.575	20	5		GJBDLO
C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21	ZINC000003489571	209118231	/nfs/dbraw/zinc/11/82/31/209118231.db2.gz	VQGCNOKPAXTNOK-OAHLLOKOSA-N	1	2	390.512	4.529	20	5		GJBDLO
Cc1cc(C)c(NC(=O)c2ccc(N3C[C@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(C)[nH+]1	ZINC000097213721	136188441	/nfs/dbraw/zinc/18/84/41/136188441.db2.gz	HXRBEPHSYWOQDL-OKILXGFUSA-N	1	2	396.491	4.650	20	5		GJBDLO
Cc1cc(C)c(NC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c(C)[nH+]1	ZINC000097213722	136188306	/nfs/dbraw/zinc/18/83/06/136188306.db2.gz	HXRBEPHSYWOQDL-KBPBESRZSA-N	1	2	396.491	4.650	20	5		GJBDLO
C[C@H](Sc1nc2ccccc2c2[nH+]c3ccccc3n21)C(=O)NC1CCCC1	ZINC000004246556	209121744	/nfs/dbraw/zinc/12/17/44/209121744.db2.gz	HTFHSGOVURKDIX-AWEZNQCLSA-N	1	2	390.512	4.575	20	5		GJBDLO
Cc1cc(C)c(NC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)[nH+]1	ZINC000097213723	136188511	/nfs/dbraw/zinc/18/85/11/136188511.db2.gz	HXRBEPHSYWOQDL-ZIAGYGMSSA-N	1	2	396.491	4.650	20	5		GJBDLO
O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1	ZINC000015960115	207069092	/nfs/dbraw/zinc/06/90/92/207069092.db2.gz	PCBDSKRVYMQQNF-UHFFFAOYSA-N	1	2	398.422	4.624	20	5		GJBDLO