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)[N@H+](C)Cc1nn(-c2ncc(C#N)c3sc(-c4ccccc4)cc32)c2c1CC[NH2+]C2	ZINC001164682616	719626268	/nfs/dbraw/zinc/62/62/68/719626268.db2.gz	OQKQGIOWIJQHFF-UHFFFAOYSA-N	2	1	442.592	4.507	20	30		IJEDMP
CC(C)[N@@H+](C)Cc1nn(-c2ncc(C#N)c3sc(-c4ccccc4)cc32)c2c1CC[NH2+]C2	ZINC001164682616	719626277	/nfs/dbraw/zinc/62/62/77/719626277.db2.gz	OQKQGIOWIJQHFF-UHFFFAOYSA-N	2	1	442.592	4.507	20	30		IJEDMP