smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CN1CC(=O)[O+]=N1)N1CCC([C@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1	ZINC000023129107	527194886	/nfs/dbraw/zinc/19/48/86/527194886.db2.gz	NBMWNOUPZWEHJK-KRWDZBQOSA-O	1	3	405.906	2.082	50	30		HEEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(S(=O)(=O)NC)cc1	ZINC000004785872	559063870	/nfs/dbraw/zinc/06/38/70/559063870.db2.gz	PGDAEBLFDMCJQB-AXLWCPOOSA-N	1	3	401.579	2.372	50	30		HEEAHO
O=C(CN1CC(=O)[O+]=N1)N1CCC([C@@H]2CCN(Cc3ccc(Cl)cc3)C2)CC1	ZINC000023129106	527193798	/nfs/dbraw/zinc/19/37/98/527193798.db2.gz	NBMWNOUPZWEHJK-QGZVFWFLSA-O	1	3	405.906	2.082	50	30		HEEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(S(=O)(=O)NC)cc1	ZINC000004785873	559063923	/nfs/dbraw/zinc/06/39/23/559063923.db2.gz	PGDAEBLFDMCJQB-KVMVOAJRSA-N	1	3	401.579	2.372	50	30		HEEAHO