smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C([N-]c2nncs2)[N-]c2nncs2)c1[N+](=O)[O-]	ZINC000001612131	506266292	/nfs/dbraw/zinc/26/62/92/506266292.db2.gz	RZLHSLKUXLFJTM-UHFFFAOYSA-N	-2	3	365.400	2.529	40	5		FFBBHL
CCc1ccc(C(c2c(C)[n-][nH]c2=O)c2c(C)[n-][nH]c2=O)cc1[N+](=O)[O-]	ZINC000096193534	209131378	/nfs/dbraw/zinc/13/13/78/209131378.db2.gz	GPPBQEGSPRDAFB-UHFFFAOYSA-N	-2	3	357.370	2.812	40	5		FFBBHL
Cc1[n-][nH]c(=O)c1C(c1c(C)[n-][nH]c1=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000006607268	506490705	/nfs/dbraw/zinc/49/07/05/506490705.db2.gz	BNHHXXNYZGFMLA-UHFFFAOYSA-N	-2	3	363.761	2.903	40	5		FFBBHL
O=c1c2[n-][n-]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Cl)cc1	ZINC000109645140	507974943	/nfs/dbraw/zinc/97/49/43/507974943.db2.gz	FKTBPDNWYWKNEG-UONOGXRCSA-N	-2	3	371.740	2.746	40	5		FFBBHL
O=c1c2[n-][n-]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Cl)cc1	ZINC000005344458	506437713	/nfs/dbraw/zinc/43/77/13/506437713.db2.gz	FKTBPDNWYWKNEG-KGLIPLIRSA-N	-2	3	371.740	2.746	40	5		FFBBHL
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2[O-])C(=O)[O-])n[n-]1	ZINC000038419731	506437604	/nfs/dbraw/zinc/43/76/04/506437604.db2.gz	VBNBYPKOBWCLSO-XFFZJAGNSA-N	-3	3	350.356	2.589	40	5		FFBBHL
O=c1c2[n-][n-]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Cl)cc1	ZINC000109645146	206060908	/nfs/dbraw/zinc/06/09/08/206060908.db2.gz	FKTBPDNWYWKNEG-ZIAGYGMSSA-N	-2	3	371.740	2.746	40	5		FFBBHL
O=c1nc(C=Cc2ccc(Sc3ccccc3)o2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000006496079	506484797	/nfs/dbraw/zinc/48/47/97/506484797.db2.gz	JFOYMWIFBOMPNN-SOFGYWHQSA-N	-2	3	357.347	2.886	40	5		FFBBHL
O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000013340873	208289914	/nfs/dbraw/zinc/28/99/14/208289914.db2.gz	WSNAFHUIENNGQF-UHFFFAOYSA-N	-2	3	356.743	2.747	40	5		FFBBHL
O=c1c2[n-][n-]n(-c3ccc([N+](=O)[O-])cc3)c=2c(=O)n1-c1ccc(Cl)cc1	ZINC000109645143	209310591	/nfs/dbraw/zinc/31/05/91/209310591.db2.gz	FKTBPDNWYWKNEG-KBPBESRZSA-N	-2	3	371.740	2.746	40	5		FFBBHL
O=c1nc(C=Cc2ccccc2OCc2ccccc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000108770186	507917197	/nfs/dbraw/zinc/91/71/97/507917197.db2.gz	OYLFWFWQPODVJZ-KHPPLWFESA-N	-2	3	365.345	2.721	40	5		FFBBHL