smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	ZINC000012116477	568993771	/nfs/dbraw/zinc/99/37/71/568993771.db2.gz	CFUIVEKOAHTOQH-UHFFFAOYSA-N	2	2	411.550	2.277	40	30		HEEBLP
C[N@@H+]1CCc2c(C#N)c(NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)sc2C1	ZINC000408583857	569385990	/nfs/dbraw/zinc/38/59/90/569385990.db2.gz	XVUPZYUZGCVZEQ-UHFFFAOYSA-N	2	2	409.559	2.364	40	30		HEEBLP
C[N@H+]1CCc2c(C#N)c(NC(=O)CN3CC[NH+](Cc4ccccc4)CC3)sc2C1	ZINC000408583857	569385991	/nfs/dbraw/zinc/38/59/91/569385991.db2.gz	XVUPZYUZGCVZEQ-UHFFFAOYSA-N	2	2	409.559	2.364	40	30		HEEBLP