smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc2nc(-c3cc(/N=C/c4cc([N+](=O)[O-])ccc4[O-])ccc3[O-])oc2c1	ZINC000004125146	204028646	/nfs/dbraw/zinc/02/86/46/204028646.db2.gz	SAWILFFGDGCAER-SSDVNMTOSA-N	-2	0	389.367	4.873	50	30		GJEARL
Cc1cccc2oc(-c3cc(/N=C/c4cccc([N+](=O)[O-])c4[O-])ccc3[O-])nc21	ZINC000004142356	204029085	/nfs/dbraw/zinc/02/90/85/204029085.db2.gz	LDHPLBBDPDZKBO-SSDVNMTOSA-N	-2	0	389.367	4.873	50	30		GJEARL
COc1cc([N+](=O)[O-])cc(/C=N/c2cc(C(C)(C)C)cc(Cl)c2[O-])c1[O-]	ZINC000027497205	522973423	/nfs/dbraw/zinc/97/34/23/522973423.db2.gz	UNAUIBVVHTYRPB-AWQFTUOYSA-N	-2	0	378.812	4.716	50	30		GJEARL
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028538229	570309699	/nfs/dbraw/zinc/30/96/99/570309699.db2.gz	KMAOMYOPEIRFLB-SFHVURJKSA-N	-2	0	385.545	4.902	50	30	in-vitro	GJEARL
CCCCCCCCCCCCCCCCOC[C@@H](O)COP(=O)([O-])[O-]	ZINC000059303559	520002017	/nfs/dbraw/zinc/00/20/17/520002017.db2.gz	XLVRFPVHQPHXAA-LJQANCHMSA-N	-2	0	396.505	4.955	50	30	in-vitro	GJEARL
C=CCc1cc(C(C)(C)c2cc(CC=C)c([O-])c([N+](=O)[O-])c2)cc([N+](=O)[O-])c1[O-]	ZINC000002029428	212101158	/nfs/dbraw/zinc/10/11/58/212101158.db2.gz	FPZMBGUZDLAKNX-UHFFFAOYSA-N	-2	0	398.415	4.697	50	30		GJEARL
CCCCCCCCCCCCCCCC(=O)N[C@H](CCC(=O)[O-])C(=O)[O-]	ZINC000028538236	570461128	/nfs/dbraw/zinc/46/11/28/570461128.db2.gz	KMAOMYOPEIRFLB-GOSISDBHSA-N	-2	0	385.545	4.902	50	30		GJEARL
Cc1cc(NN=Cc2cc(Cl)cc(Cl)c2[O-])nc(-c2ccccc2[O-])n1	ZINC000004595787	525044709	/nfs/dbraw/zinc/04/47/09/525044709.db2.gz	PEGCHCPTPNGBHM-ZVBGSRNCSA-N	-2	0	389.242	4.616	50	30		GJEARL
CCCC(=O)[N-]C([N-]c1ccccc1C(F)(F)F)(C(F)(F)F)C(F)(F)F	ZINC000003082555	570502400	/nfs/dbraw/zinc/50/24/00/570502400.db2.gz	QIQNRNZZSIFLOW-UHFFFAOYSA-N	-2	0	396.253	4.855	50	30		GJEARL