smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCOCCNCc1cc(I)cc([N+](=O)[O-])c1	ZINC000558491111	531564545	/nfs/dbraw/zinc/56/45/45/531564545.db2.gz	WAXOMUDZXRLGFN-UHFFFAOYSA-N	1	3	393.225	1.867	20	5		GDBDHO
CN(C)CCCN(CCC[NH+](C)C)c1sc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000272862547	532118975	/nfs/dbraw/zinc/11/89/75/532118975.db2.gz	QTZZKOXYDRKSIX-UHFFFAOYSA-N	1	3	392.547	1.770	20	5		GDBDHO
CN1CC[C@@](O)(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000514819262	648466983	/nfs/dbraw/zinc/46/69/83/648466983.db2.gz	BSOKMSASCWMREC-CYBMUJFWSA-N	1	3	391.209	1.356	20	5		GDBDHO
Cc1cc(S(=O)(=O)N(CCN(C)C)C2CC[NH+](C)CC2)c([N+](=O)[O-])s1	ZINC000601397145	652575589	/nfs/dbraw/zinc/57/55/89/652575589.db2.gz	KGQYQGDQEJXAIU-UHFFFAOYSA-N	1	3	390.531	1.611	20	5		GDBDHO
CN1CC[C@](O)(C[NH2+]Cc2cc(I)cc([N+](=O)[O-])c2)C1	ZINC000514819263	648467157	/nfs/dbraw/zinc/46/71/57/648467157.db2.gz	BSOKMSASCWMREC-ZDUSSCGKSA-N	1	3	391.209	1.356	20	5		GDBDHO
C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-]	ZINC000821584710	606300863	/nfs/dbraw/zinc/30/08/63/606300863.db2.gz	PGXJKQVVJTWMOP-UHFFFAOYSA-N	1	3	376.465	1.485	20	5		GDBDHO
CN(C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000780850143	654795382	/nfs/dbraw/zinc/79/53/82/654795382.db2.gz	ZHTMHRGGQNALRB-UHFFFAOYSA-N	1	3	376.504	1.303	20	5		GDBDHO
C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1-c1nnn[n-]1	ZINC000821584857	606301155	/nfs/dbraw/zinc/30/11/55/606301155.db2.gz	VHEYOWOBWFJPOY-UHFFFAOYSA-N	1	3	376.465	1.485	20	5		GDBDHO
C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1-c1nn[n-]n1	ZINC000821584857	606301158	/nfs/dbraw/zinc/30/11/58/606301158.db2.gz	VHEYOWOBWFJPOY-UHFFFAOYSA-N	1	3	376.465	1.485	20	5		GDBDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000121401374	530955850	/nfs/dbraw/zinc/95/58/50/530955850.db2.gz	DYNQIPGYJGSDQF-UHFFFAOYSA-N	1	3	387.278	1.923	20	5		GDBDHO
CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(Br)cc([N+](=O)[O-])c1	ZINC000120717055	530945253	/nfs/dbraw/zinc/94/52/53/530945253.db2.gz	JSPKRSXNDDDDRX-UHFFFAOYSA-N	1	3	387.278	1.923	20	5		GDBDHO