smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)CC(=N/[O-])/C(CS(C)(=O)=O)=N/O	ZINC000017142105	372795231	/nfs/dbraw/zinc/79/52/31/372795231.db2.gz	XTDBKCRDRQAVMP-CGXWXWIYSA-N	-1	1	272.304	-1.264	40	30		CAEBMM
Cc1no[nH]c1=N/N=C1/C(=O)[N-]C(=S)NC1=O	ZINC000006025145	409322421	/nfs/dbraw/zinc/32/24/21/409322421.db2.gz	INHHNXWITKGFHQ-UHFFFAOYSA-N	-1	1	254.231	-1.323	40	30		CAEBMM
Cc1no[nH]c1=N/N=C1\C(=O)[N-]C(=S)NC1=O	ZINC000006025145	409322426	/nfs/dbraw/zinc/32/24/26/409322426.db2.gz	INHHNXWITKGFHQ-UHFFFAOYSA-N	-1	1	254.231	-1.323	40	30		CAEBMM
NC(=S)NNC1=C([O-])[C@H](O)C(O)[C@H](O)[C@@H]1O	ZINC000005412995	295005853	/nfs/dbraw/zinc/00/58/53/295005853.db2.gz	WWBGVZDQWXDZLA-VJTZZWJDSA-N	-1	1	251.264	-3.595	40	30		CAEBMM
NC(=S)NNC1=C([O-])[C@@H](O)C(O)[C@@H](O)[C@H]1O	ZINC000005412995	295005855	/nfs/dbraw/zinc/00/58/55/295005855.db2.gz	WWBGVZDQWXDZLA-VJTZZWJDSA-N	-1	1	251.264	-3.595	40	30		CAEBMM