smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)[C@@H](C(=O)[O-])c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1	ZINC001201229171	1054724475	/nfs/dbraw/zinc/72/44/75/1054724475.db2.gz	GAPXMNDHVKWXOG-MRXNPFEDSA-N	-2	3	344.367	4.258	20	5		EIBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2ccc(Br)cc2[S-])c1	ZINC001201229435	1054724659	/nfs/dbraw/zinc/72/46/59/1054724659.db2.gz	NJUJUGSNVPXJBG-UHFFFAOYSA-N	-2	3	341.186	4.095	20	5		EIBDHL
CC(C)(C)[C@H](C(=O)[O-])c1ccc(Nc2cc([O-])cc([N+](=O)[O-])c2)cc1	ZINC001201229170	1054725179	/nfs/dbraw/zinc/72/51/79/1054725179.db2.gz	GAPXMNDHVKWXOG-INIZCTEOSA-N	-2	3	344.367	4.258	20	5		EIBDHL
Cc1c(Cl)cc(Nc2cc([O-])cc([N+](=O)[O-])c2)c([O-])c1Cl	ZINC001201224755	1054734919	/nfs/dbraw/zinc/73/49/19/1054734919.db2.gz	UCKGVPLXVHNJDN-UHFFFAOYSA-N	-2	3	329.139	4.365	20	5		EIBDHL
O=[N+]([O-])c1cc([O-])cc(Nc2cc(C(F)(F)F)ccc2[S-])c1	ZINC001201221556	1054731716	/nfs/dbraw/zinc/73/17/16/1054731716.db2.gz	DMMBRQHUMVBKAH-UHFFFAOYSA-N	-2	3	330.287	4.352	20	5		EIBDHL
O=[N+]([O-])c1cc(Nc2c([O-])cc(C(F)(F)F)cc2Cl)ccc1[O-]	ZINC001210397780	1021071435	/nfs/dbraw/zinc/07/14/35/1021071435.db2.gz	HKVCBEDNULZDJW-UHFFFAOYSA-N	-2	3	348.664	4.422	20	5		EIBDHL