smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2[nH+]ccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2c(OC)c1	ZINC000045283485	205094159	/nfs/dbraw/zinc/09/41/59/205094159.db2.gz	ZDXJOJAAKNSJHR-UHFFFAOYSA-N	1	1	399.315	3.288	1	5		GGBFMO
Cc1c2c3cc(NC(=O)[C@@H]([NH3+])Cc4c[nH]cn4)ccc3n(C)c2nc2ccccc12	ZINC000095558805	208232266	/nfs/dbraw/zinc/23/22/66/208232266.db2.gz	IVGQFGJDFSGJPU-SFHVURJKSA-N	1	1	398.470	3.420	1	5		GGBFMO
C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000095561999	222354627	/nfs/dbraw/zinc/35/46/27/222354627.db2.gz	SFKBOTCVPFRCEE-KRWDZBQOSA-N	1	1	398.463	3.294	1	5		GGBFMO
Cc1ccccc1N1CC[NH+](CCn2cnc3c4ccccc4ncc3c2=O)CC1	ZINC000072106192	205302731	/nfs/dbraw/zinc/30/27/31/205302731.db2.gz	XKQOLXBMIWWTSB-UHFFFAOYSA-N	1	1	399.498	3.075	1	5		GGBFMO
O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@@H]34	ZINC000084668812	205396975	/nfs/dbraw/zinc/39/69/75/205396975.db2.gz	FCICRDFMAZEDKP-ORBNHADYSA-N	1	1	381.476	3.473	1	5		GGBFMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccc(F)cc2Cl)CC1	ZINC000095588565	136182322	/nfs/dbraw/zinc/18/23/22/136182322.db2.gz	WYHSEIRNBDYXNL-UHFFFAOYSA-N	1	1	392.818	3.391	1	5		GGBFMO
C[NH+]1CCN(c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2F)CC1	ZINC000103245401	536422563	/nfs/dbraw/zinc/42/25/63/536422563.db2.gz	GEVRXSFPMDSNDB-RUDMXATFSA-N	1	1	384.411	3.138	1	5		GGBFMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2cccc3ncccc32)CC1	ZINC000095589948	136182339	/nfs/dbraw/zinc/18/23/39/136182339.db2.gz	APGXJSWMXYPTEA-UHFFFAOYSA-N	1	1	391.431	3.147	1	5		GGBFMO
O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CC[C@@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@@H]34	ZINC000084670295	222319064	/nfs/dbraw/zinc/31/90/64/222319064.db2.gz	OIFYUODREQGFRG-BAGUCIKASA-N	1	1	381.476	3.473	1	5		GGBFMO
C[C@H](Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000095562000	222355484	/nfs/dbraw/zinc/35/54/84/222355484.db2.gz	SFKBOTCVPFRCEE-QGZVFWFLSA-N	1	1	398.463	3.294	1	5		GGBFMO