smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[n-]c(=O)c2nc3cc(-c4ccc5nc6[nH]c(=O)[nH]c(=O)c6nc5c4)ccc3nc2[nH]1	ZINC000001593201	555705220	/nfs/dbraw/zinc/70/52/20/555705220.db2.gz	KIMSTZNLOHPNGE-UHFFFAOYSA-N	-1	3	426.352	0.300	40	5		ICBBHM
O=C(OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[n-]c2=O)C[C@H]1O)c1ccc([N+](=O)[O-])cc1	ZINC000004975132	557420691	/nfs/dbraw/zinc/42/06/91/557420691.db2.gz	PQYWNZDKESUMSN-JHJVBQTASA-N	-1	3	445.306	0.969	40	5		ICBBHM
O=C(OC[C@@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[n-]c2=O)C[C@H]1O)c1ccc([N+](=O)[O-])cc1	ZINC000004975133	557420770	/nfs/dbraw/zinc/42/07/70/557420770.db2.gz	PQYWNZDKESUMSN-FRRDWIJNSA-N	-1	3	445.306	0.969	40	5		ICBBHM
O=C(OC[C@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[n-]c2=O)C[C@@H]1O)c1ccc([N+](=O)[O-])cc1	ZINC000004975134	557420821	/nfs/dbraw/zinc/42/08/21/557420821.db2.gz	PQYWNZDKESUMSN-YNEHKIRRSA-N	-1	3	445.306	0.969	40	5		ICBBHM
O=C(OC[C@@H]1O[C@@H](n2cc(C(F)(F)F)c(=O)[n-]c2=O)C[C@@H]1O)c1ccc([N+](=O)[O-])cc1	ZINC000004975135	557420761	/nfs/dbraw/zinc/42/07/61/557420761.db2.gz	PQYWNZDKESUMSN-RWMBFGLXSA-N	-1	3	445.306	0.969	40	5		ICBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000019961109	569332313	/nfs/dbraw/zinc/33/23/13/569332313.db2.gz	YVDAREIGOJSNLN-GFCCVEGCSA-N	-1	3	428.405	0.888	40	5		ICBBHM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CC(=O)Nc2nc(N3CCOCC3)[n-]c(=O)c21	ZINC000019961113	569332279	/nfs/dbraw/zinc/33/22/79/569332279.db2.gz	YVDAREIGOJSNLN-LBPRGKRZSA-N	-1	3	428.405	0.888	40	5		ICBBHM
O=[N+]([O-])c1ccc([N-]N=c2nc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c([N+](=O)[O-])c1	ZINC000059417938	569461274	/nfs/dbraw/zinc/46/12/74/569461274.db2.gz	VMAHIYGAGMBDHN-UHFFFAOYSA-N	-1	3	447.412	0.800	40	5		ICBBHM
O=c1[n-]c(=O)c2c([nH]1)Oc1c(c(N3CCOCC3)cc(N3CCOCC3)c1[N+](=O)[O-])C2	ZINC000059442725	569461415	/nfs/dbraw/zinc/46/14/15/569461415.db2.gz	GLCOFMGGAUOCOZ-UHFFFAOYSA-N	-1	3	431.405	0.341	40	5		ICBBHM