smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)F)cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2	ZINC001164707926	719909282	/nfs/dbraw/zinc/90/92/82/719909282.db2.gz	ZOAKWKQWOSBWJB-UHFFFAOYSA-N	1	0	425.551	2.981	20	70		IFIDRO
COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(S(=O)(=O)F)cc1C)CC2	ZINC001164715735	720157788	/nfs/dbraw/zinc/15/77/88/720157788.db2.gz	WHSXLSYVZJIQCS-IBGZPJMESA-N	1	0	448.564	2.951	20	70		IFIDRO
Cc1cc(S(=O)(=O)F)cnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2	ZINC001164963038	722062500	/nfs/dbraw/zinc/06/25/00/722062500.db2.gz	ATLLCQNLMKWBLM-UHFFFAOYSA-N	1	0	434.537	2.562	20	70		IFIDRO
COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(c1ncc(S(=O)(=O)F)cc1C)CC2	ZINC001164715739	720158275	/nfs/dbraw/zinc/15/82/75/720158275.db2.gz	WHSXLSYVZJIQCS-LJQANCHMSA-N	1	0	448.564	2.951	20	70		IFIDRO