smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(C(=O)NCCC[NH+]2CCOCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216857676	568468435	/nfs/dbraw/zinc/46/84/35/568468435.db2.gz	HKXOBYPOCDYZME-UHFFFAOYSA-N	2	2	424.567	0.383	40	70		HCIBLP
Cc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)NCCC[NH+]1CCOCC1	ZINC000216863832	568468587	/nfs/dbraw/zinc/46/85/87/568468587.db2.gz	RVBZKEGEHXVHHC-UHFFFAOYSA-N	2	2	424.567	0.383	40	70		HCIBLP
C[NH+](C)CCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1Cl	ZINC000216879259	568468981	/nfs/dbraw/zinc/46/89/81/568468981.db2.gz	DBOBIYVFBNIQJA-UHFFFAOYSA-N	2	2	402.948	0.958	40	70		HCIBLP
C[NH+]1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCCn3cc[nH+]c3)cc2)CC1	ZINC000216886462	568469111	/nfs/dbraw/zinc/46/91/11/568469111.db2.gz	CUJNTZJNIITFQC-UHFFFAOYSA-N	2	2	405.524	0.780	40	70		HCIBLP