smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)C(=O)NC[C@H]1CC2(CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)O1	ZINC000306124789	206197599	/nfs/dbraw/zinc/19/75/99/206197599.db2.gz	BZORYGVCDPTXHC-OAHLLOKOSA-N	1	1	396.875	2.643	40	5		GFBBMO
COc1ccc(C(=O)N2CC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc1[N+](=O)[O-]	ZINC000408609763	533311088	/nfs/dbraw/zinc/31/10/88/533311088.db2.gz	OQZGCABUBJDGGG-SFHVURJKSA-N	1	1	381.432	2.876	40	5		GFBBMO
CC[N@H+]1CC[C@@](O)(c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000001652668	570326330	/nfs/dbraw/zinc/32/63/30/570326330.db2.gz	XVBUSJRKIWVZEM-AZUAARDMSA-N	1	1	399.403	2.915	40	5		GFBBMO
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1	ZINC000408604942	231075970	/nfs/dbraw/zinc/07/59/70/231075970.db2.gz	FZECZRRVBPRFIE-QGZVFWFLSA-N	1	1	396.403	2.776	40	5		GFBBMO
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1	ZINC000408604941	231076418	/nfs/dbraw/zinc/07/64/18/231076418.db2.gz	FZECZRRVBPRFIE-KRWDZBQOSA-N	1	1	396.403	2.776	40	5		GFBBMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000020105388	210315640	/nfs/dbraw/zinc/31/56/40/210315640.db2.gz	ZBCTXCIETCMEAC-UHFFFAOYSA-N	1	1	386.433	2.709	40	5		GFBBMO
CC[N@H+]1CC[C@](O)(c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000005845852	570796844	/nfs/dbraw/zinc/79/68/44/570796844.db2.gz	XVBUSJRKIWVZEM-ICSRJNTNSA-N	1	1	399.403	2.915	40	5		GFBBMO
Cc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000004895351	570356961	/nfs/dbraw/zinc/35/69/61/570356961.db2.gz	SQCGJODXDJLMOC-UHFFFAOYSA-N	1	1	394.435	2.924	40	5		GFBBMO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH+]1CCC(n2nnc3ccccc32)CC1	ZINC000004895209	570637104	/nfs/dbraw/zinc/63/71/04/570637104.db2.gz	UTCFZDWIVPKDQL-UHFFFAOYSA-N	1	1	394.435	2.924	40	5		GFBBMO
O=C(C[NH+]1CCC(n2nnc3ccccc32)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000004895201	220786172	/nfs/dbraw/zinc/78/61/72/220786172.db2.gz	AYGRFKFMLUMPQI-UHFFFAOYSA-N	1	1	380.408	2.615	40	5		GFBBMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000044849985	205088534	/nfs/dbraw/zinc/08/85/34/205088534.db2.gz	SDALRLVQZRWXHW-UHFFFAOYSA-N	1	1	386.433	2.876	40	5		GFBBMO
C[NH+]1CCN(CCNc2ccc(CO)c3sc4ccccc4c(=O)c23)CC1	ZINC000102933803	570293257	/nfs/dbraw/zinc/29/32/57/570293257.db2.gz	ZBTCQRIBGXSGEE-UHFFFAOYSA-N	1	1	383.517	2.566	40	5		GFBBMO
O=C(C[NH+]1CCC(n2nnc3ccccc32)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000004895205	570636910	/nfs/dbraw/zinc/63/69/10/570636910.db2.gz	QXEZPFYNNWNGBH-UHFFFAOYSA-N	1	1	380.408	2.615	40	5		GFBBMO
CN(C)C(=O)NC[C@@H]1CC2(CC[NH+](Cc3cc([N+](=O)[O-])ccc3Cl)CC2)O1	ZINC000306124788	209096895	/nfs/dbraw/zinc/09/68/95/209096895.db2.gz	BZORYGVCDPTXHC-HNNXBMFYSA-N	1	1	396.875	2.643	40	5		GFBBMO
COc1ccc(C(=O)N2CC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc1[N+](=O)[O-]	ZINC000408609761	533310745	/nfs/dbraw/zinc/31/07/45/533310745.db2.gz	OQZGCABUBJDGGG-GOSISDBHSA-N	1	1	381.432	2.876	40	5		GFBBMO
O=C(NCCC[NH+]1CCOCC1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000408575664	570383997	/nfs/dbraw/zinc/38/39/97/570383997.db2.gz	OZGJAMHCHGNTRV-HEHNFIMWSA-N	1	1	395.459	2.974	40	5		GFBBMO
Cc1ccc2c(c1)nnn2C1CC[NH+](CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000004895349	570637155	/nfs/dbraw/zinc/63/71/55/570637155.db2.gz	BFQUOTDEXIDACK-UHFFFAOYSA-N	1	1	394.435	2.924	40	5		GFBBMO
Cc1[nH+]ccn1-c1ccc(CNS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000020457646	210337437	/nfs/dbraw/zinc/33/74/37/210337437.db2.gz	CSHJOZAOJAEUNY-UHFFFAOYSA-N	1	1	386.433	2.876	40	5		GFBBMO
O=[N+]([O-])c1ccc2ncnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c2c1	ZINC000004476036	136193957	/nfs/dbraw/zinc/19/39/57/136193957.db2.gz	ACLOXKXBRPEZFT-UHFFFAOYSA-N	1	1	393.403	2.589	40	5		GFBBMO