smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCc1cc([N+](=O)[O-])c(CC[NH3+])c([N+](=O)[O-])c1	ZINC000003845574	295240580	/nfs/dbraw/zinc/24/05/80/295240580.db2.gz	GXYAVJWXGKXPGC-UHFFFAOYSA-N	2	0	254.246	0.505	40	5		CCBBRP
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCC([NH3+])CC1	ZINC000225242878	352000941	/nfs/dbraw/zinc/00/09/41/352000941.db2.gz	CLECMCDBBMKUSL-UHFFFAOYSA-N	2	0	264.289	0.760	40	5		CCBBRP
[NH3+]CCCC[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004556755	169983575	/nfs/dbraw/zinc/98/35/75/169983575.db2.gz	VUUNELJIFNFWJC-LLVKDONJSA-N	2	0	266.301	0.990	40	5	in-vitro	CCBBRP
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CC[NH2+]CC1	ZINC000225242767	352001437	/nfs/dbraw/zinc/00/14/37/352001437.db2.gz	FMGCWAPDDNMJLV-UHFFFAOYSA-N	2	0	250.262	0.242	40	5		CCBBRP
C[NH+]1CCN(C(=[NH2+])Nc2ncccc2[N+](=O)[O-])CC1	ZINC000225245476	352001427	/nfs/dbraw/zinc/00/14/27/352001427.db2.gz	YUFNXZPTAALRPZ-UHFFFAOYSA-N	2	0	264.289	0.584	40	5		CCBBRP
C[N+](C)(C)CCOc1ccc(=O)n(CC[N+](C)(C)C)n1	ZINC000005535225	170109958	/nfs/dbraw/zinc/10/99/58/170109958.db2.gz	YPDBPWJAXLGJDO-UHFFFAOYSA-N	2	0	284.404	0.035	40	5		CCBBRP
[NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CC[NH2+]CC1	ZINC000225239829	352001458	/nfs/dbraw/zinc/00/14/58/352001458.db2.gz	APYLYSUCPNCZRZ-UHFFFAOYSA-N	2	0	250.262	0.242	40	5		CCBBRP
[NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC([NH3+])CC1	ZINC000225239717	352001448	/nfs/dbraw/zinc/00/14/48/352001448.db2.gz	STLJSNYXAZOLNM-UHFFFAOYSA-N	2	0	264.289	0.760	40	5		CCBBRP
NC(=[NH2+])NCCC[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004533863	347996701	/nfs/dbraw/zinc/99/67/01/347996701.db2.gz	TWYRZWVFWYSNBU-SNVBAGLBSA-N	2	0	294.315	0.124	40	5		CCBBRP
C[N+](C)(C)NP(=O)(N[N+](C)(C)C)c1ccccc1	ZINC000100949678	389072271	/nfs/dbraw/zinc/07/22/71/389072271.db2.gz	WRZZHQGKKGJTAX-UHFFFAOYSA-N	2	0	272.333	0.927	40	5		CCBBRP
C[N+]1(C/C=C\C[N+]2(C)CCOCC2)CCOCC1	ZINC000004917900	170041350	/nfs/dbraw/zinc/04/13/50/170041350.db2.gz	IAKKBMBYYANRAF-ARJAWSKDSA-N	2	0	256.390	0.496	40	5		CCBBRP