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](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC001557930776	1073100562	/nfs/dbraw/zinc/10/05/62/1073100562.db2.gz	OXHIGCRFBZGDAO-BRWVUGGUSA-N	1	3	435.594	0.702	20	30		ICEDHO
C[C@@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21	ZINC001557930777	1073100494	/nfs/dbraw/zinc/10/04/94/1073100494.db2.gz	OXHIGCRFBZGDAO-GVDBMIGSSA-N	1	3	435.594	0.702	20	30		ICEDHO
CCN1CCC([N@H+]2CCCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)CC1	ZINC001559919784	1073256484	/nfs/dbraw/zinc/25/64/84/1073256484.db2.gz	RFALVYDSPGLXPM-UHFFFAOYSA-N	1	3	443.596	0.995	20	30		ICEDHO
CCN1CCC([N@@H+]2CCCN(CC(=O)N3CCN(c4oc(C)nc4C#N)CC3)CC2)CC1	ZINC001559919784	1073256473	/nfs/dbraw/zinc/25/64/73/1073256473.db2.gz	RFALVYDSPGLXPM-UHFFFAOYSA-N	1	3	443.596	0.995	20	30		ICEDHO