smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])CNCCc1ccncc1	ZINC000013518012	374408899	/nfs/dbraw/zinc/40/88/99/374408899.db2.gz	GMXZJOPNIZHAQE-LBPRGKRZSA-N	1	3	309.374	-0.583	10	30		DBEEHO
NCc1ccccc1NC[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000013517979	374409069	/nfs/dbraw/zinc/40/90/69/374409069.db2.gz	NELRAXFUVXHFQP-NSHDSACASA-N	1	3	309.374	-0.239	10	30		DBEEHO
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])CNCCc1ccccc1N	ZINC000013517970	374409103	/nfs/dbraw/zinc/40/91/03/374409103.db2.gz	UUWMPNWLGHAODZ-LBPRGKRZSA-N	1	3	323.401	-0.396	10	30		DBEEHO
CCN1CCC[C@@H]1CN(C)C(NC[C@H]1CN2CCN1CC2)=[NH+]C	ZINC000261641914	285233051	/nfs/dbraw/zinc/23/30/51/285233051.db2.gz	DUWGBSXNTOQNJT-CVEARBPZSA-N	1	3	322.501	-0.022	10	30		DBEEHO
CCN1CCC[C@@H]1CN(C)C(NC[C@@H]1CN2CCN1CC2)=[NH+]C	ZINC000261641921	285233078	/nfs/dbraw/zinc/23/30/78/285233078.db2.gz	DUWGBSXNTOQNJT-HZPDHXFCSA-N	1	3	322.501	-0.022	10	30		DBEEHO
NC(=N[N+](=O)[O-])NCCC[C@H]([NH3+])CNCCc1cccnc1	ZINC000013518009	374409541	/nfs/dbraw/zinc/40/95/41/374409541.db2.gz	HPQDVOLEJAWTBM-LBPRGKRZSA-N	1	3	309.374	-0.583	10	30		DBEEHO