smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC[NH+](C)C)[C@H]1[C@@H](C[NH+](Cc2ccc(F)cc2)Cc2ccc(F)cc2)O[C@@H](CO)[C@H]1O	ZINC000020464684	521748102	/nfs/dbraw/zinc/74/81/02/521748102.db2.gz	WFFKBXNWXUDNKY-WSOYEBOPSA-N	2	1	463.569	1.950	10	0		JDAEMP
COc1ccc(CCC(=O)N(CCC[NH+]2CCCC2)CCS(=O)(=O)N2CC[NH2+]CC2)cc1	ZINC000046141045	523917286	/nfs/dbraw/zinc/91/72/86/523917286.db2.gz	RBMWKJOYOYOMDQ-UHFFFAOYSA-N	2	1	466.648	1.177	10	0		JDAEMP
Cc1ccc(C)c(S(=O)(=O)N(CCC(=O)N2CC[NH2+]CC2)CC[N@@H+]2CCCC[C@@H]2C)c1	ZINC000045945249	524186887	/nfs/dbraw/zinc/18/68/87/524186887.db2.gz	UWSZJWUNSVSLCN-NRFANRHFSA-N	2	1	450.649	1.990	10	0		JDAEMP
Cc1cc(C)c(S(=O)(=O)N(CC[N@@H+]2CCCC[C@H]2C)CC(=O)N2CC[NH2+]CC2)c(C)c1	ZINC000230101846	570044845	/nfs/dbraw/zinc/04/48/45/570044845.db2.gz	FVDKBXIOIXOXMX-OAQYLSRUSA-N	2	1	450.649	1.909	10	0		JDAEMP
Cc1cc(C)c(S(=O)(=O)N(CC[N@@H+]2CCCC[C@@H]2C)CC(=O)N2CC[NH2+]CC2)c(C)c1	ZINC000045974745	524315670	/nfs/dbraw/zinc/31/56/70/524315670.db2.gz	FVDKBXIOIXOXMX-NRFANRHFSA-N	2	1	450.649	1.909	10	0		JDAEMP