smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1cc(-c2ncc(C(F)(F)F)cc2Cl)ccc1O	ZINC000036382112	563897149	/nfs/dbraw/zinc/89/71/49/563897149.db2.gz	RMQDKZZDTHCVOU-UHFFFAOYSA-N	0	2	318.638	4.035	50	5		DIBALN
C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc2ccccc2n1	ZINC000170618826	1038126224	/nfs/dbraw/zinc/12/62/24/1038126224.db2.gz	DOCJNOIDJXUQDE-BENRWUELSA-N	0	2	306.321	4.409	50	5		DIBALN
Cc1ccc2nc(/C=C\c3ccc(O)c([N+](=O)[O-])c3)ccc2c1	ZINC000096765468	185386639	/nfs/dbraw/zinc/38/66/39/185386639.db2.gz	FJWUWEFQTIKQFR-UTCJRWHESA-N	0	2	306.321	4.327	50	5		DIBALN
CCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000024503447	182382178	/nfs/dbraw/zinc/38/21/78/182382178.db2.gz	WLPGWFADRWPDFG-UHFFFAOYSA-N	0	2	318.760	4.453	50	5		DIBALN
Cc1ccc(C(c2ccc(C)o2)c2cccc([N+](=O)[O-])c2O)o1	ZINC000035614477	563873014	/nfs/dbraw/zinc/87/30/14/563873014.db2.gz	LVYPAEPKTFJTIC-UHFFFAOYSA-N	0	2	313.309	4.283	50	5		DIBALN
O=[N+]([O-])c1cc(/C=C\c2nc3cc(Cl)ccc3o2)ccc1O	ZINC000096792096	185388568	/nfs/dbraw/zinc/38/85/68/185388568.db2.gz	PZKIDLOBQQDINU-KXFIGUGUSA-N	0	2	316.700	4.265	50	5		DIBALN
CSc1ccccc1NC(=S)Nc1ccc([N+](=O)[O-])cc1	ZINC000005041727	181195581	/nfs/dbraw/zinc/19/55/81/181195581.db2.gz	WQYXOKABOUBCFS-UHFFFAOYSA-N	0	2	319.411	4.126	50	5		DIBALN
Cc1ccc2sc(/C=C/c3ccc(O)c([N+](=O)[O-])c3)nc2c1	ZINC000036834367	563904891	/nfs/dbraw/zinc/90/48/91/563904891.db2.gz	BZLKGDNFUBXVPM-QPJJXVBHSA-N	0	2	312.350	4.389	50	5		DIBALN
Cc1ccc2sc(/C=C\c3ccc(O)c([N+](=O)[O-])c3)nc2c1	ZINC000096766000	185386657	/nfs/dbraw/zinc/38/66/57/185386657.db2.gz	BZLKGDNFUBXVPM-DAXSKMNVSA-N	0	2	312.350	4.389	50	5		DIBALN
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)Nc1cc(Cl)ccc1O2	ZINC000004073058	181069939	/nfs/dbraw/zinc/06/99/39/181069939.db2.gz	RHCRPQSFUBUINC-UHFFFAOYSA-N	0	2	307.649	4.006	50	5		DIBALN
O=[N+]([O-])c1cc(/C=C/c2nc3cc(Cl)ccc3o2)ccc1O	ZINC000095351121	563931210	/nfs/dbraw/zinc/93/12/10/563931210.db2.gz	PZKIDLOBQQDINU-QHHAFSJGSA-N	0	2	316.700	4.265	50	5		DIBALN
Cc1ccc2nc(/C=C/c3ccc(O)c([N+](=O)[O-])c3)ccc2c1	ZINC000036811057	563904671	/nfs/dbraw/zinc/90/46/71/563904671.db2.gz	FJWUWEFQTIKQFR-ZZXKWVIFSA-N	0	2	306.321	4.327	50	5		DIBALN
O=[N+]([O-])c1c2nonc2c(Cl)cc1SCc1ccccc1	ZINC000005477537	181247912	/nfs/dbraw/zinc/24/79/12/181247912.db2.gz	IXDDPMJXMCYUBG-UHFFFAOYSA-N	0	2	321.745	4.077	50	5		DIBALN