smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N[C@@H]1C[C@H]2CN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CCN2C1=O	ZINC000574466034	1067881725	/nfs/dbraw/zinc/88/17/25/1067881725.db2.gz	QXPWFEVZPAXYFM-CMPLNLGQSA-N	0	3	426.455	-1.185	20	5		IABDHN
N[C@H]1C[C@H]2CN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CCN2C1=O	ZINC000574466035	1067881996	/nfs/dbraw/zinc/88/19/96/1067881996.db2.gz	QXPWFEVZPAXYFM-JQWIXIFHSA-N	0	3	426.455	-1.185	20	5		IABDHN
N[C@H]1C[C@@H]2CN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CCN2C1=O	ZINC000574466036	1067882135	/nfs/dbraw/zinc/88/21/35/1067882135.db2.gz	QXPWFEVZPAXYFM-PWSUYJOCSA-N	0	3	426.455	-1.185	20	5		IABDHN
N[C@@H]1C[C@@H]2CN(C(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CCN2C1=O	ZINC000574466037	1067881878	/nfs/dbraw/zinc/88/18/78/1067881878.db2.gz	QXPWFEVZPAXYFM-ZYHUDNBSSA-N	0	3	426.455	-1.185	20	5		IABDHN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1	ZINC001173694547	1068064309	/nfs/dbraw/zinc/06/43/09/1068064309.db2.gz	UUOASRSTXGOVSI-LMHBHQSJSA-N	0	3	447.466	-1.863	20	5		IABDHN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1	ZINC001173694548	1068064050	/nfs/dbraw/zinc/06/40/50/1068064050.db2.gz	UUOASRSTXGOVSI-NHMWIVBRSA-N	0	3	447.466	-1.863	20	5		IABDHN