smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(NC[C@@H]1CCCO1)[C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000013478394	562967246	/nfs/dbraw/zinc/96/72/46/562967246.db2.gz	GDFBPJDDXDVIFY-IMSXRSKXSA-N	1	1	450.495	2.495	3	5		JEBFMO
C[N@H+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)CCC(=O)[C@@H]3O5	ZINC000026937939	563037588	/nfs/dbraw/zinc/03/75/88/563037588.db2.gz	PMHKQZZWOMGKBX-IAYRCESESA-N	1	1	475.501	2.491	1	5		JEBFMO
Nc1nc2c(cnn2CC[N@H+]2CCc3ccc([N+](=O)[O-])cc3CC2)c2nc(-c3ccco3)nn21	ZINC000038480866	563134843	/nfs/dbraw/zinc/13/48/43/563134843.db2.gz	FWZQSNQBDAECAU-UHFFFAOYSA-N	1	1	459.470	2.325	1	5		JEBFMO
O=C(NC[C@@H]1CCCO1)[C@@]12C[N@@H+](Cc3ccccc3)C[C@@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000059888518	563209347	/nfs/dbraw/zinc/20/93/47/563209347.db2.gz	GDFBPJDDXDVIFY-YZUZCNPQSA-N	1	1	450.495	2.495	3	5		JEBFMO
COc1cc2[nH+]c(N3CCN(C(=O)/C=C/c4cccc([N+](=O)[O-])c4)CC3)nc(N)c2cc1OC	ZINC000027409037	563043411	/nfs/dbraw/zinc/04/34/11/563043411.db2.gz	SEDDEHUYZHBOGQ-VOTSOKGWSA-N	1	1	464.482	2.499	1	5		JEBFMO
COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCC(NC(=O)c2ccc([N+](=O)[O-])o2)CC1	ZINC000040950260	563159307	/nfs/dbraw/zinc/15/93/07/563159307.db2.gz	YUSLTEUXLSOUEN-UHFFFAOYSA-N	1	1	466.878	2.483	1	5		JEBFMO
COc1cc2oc3c(c(OC)cc(OC)c3S(=O)(=O)N3CC[C@@H]([NH+](C)C)C3)c(=O)c2cc1OC	ZINC000049114468	563202781	/nfs/dbraw/zinc/20/27/81/563202781.db2.gz	HWHMBDSBEBKCRS-CYBMUJFWSA-N	1	1	492.550	2.305	1	5		JEBFMO
O=C(NC[C@@H]1CCCO1)[C@@]12C[N@@H+](Cc3ccccc3)C[C@H]1C(c1cccc([N+](=O)[O-])c1)=NO2	ZINC000059888519	563209343	/nfs/dbraw/zinc/20/93/43/563209343.db2.gz	GDFBPJDDXDVIFY-AWRGLXIESA-N	1	1	450.495	2.495	3	5		JEBFMO
COc1cc2oc3c(c(OC)cc(OC)c3S(=O)(=O)N3CC[C@H]([NH+](C)C)C3)c(=O)c2cc1OC	ZINC000049114471	563202769	/nfs/dbraw/zinc/20/27/69/563202769.db2.gz	HWHMBDSBEBKCRS-ZDUSSCGKSA-N	1	1	492.550	2.305	1	5		JEBFMO