smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@@H]1c1cc(Cl)c(O)c(OC)c1	ZINC000101579966	554799805	/nfs/dbraw/zinc/79/98/05/554799805.db2.gz	YYTFYGXYAYLOAF-ACEGTKJHSA-N	-1	2	545.957	2.780	40	5		KFBBLM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])ccc3[O-])c(=O)n2[C@H]1c1cc(Cl)c(O)c(OC)c1	ZINC000101579973	554799794	/nfs/dbraw/zinc/79/97/94/554799794.db2.gz	YYTFYGXYAYLOAF-CYEGBWLXSA-N	-1	2	545.957	2.780	40	5		KFBBLM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(O)cc3[O-])c(=O)n2[C@H]1c1ccccc1OC(C)C	ZINC000408830609	1059575969	/nfs/dbraw/zinc/57/59/69/1059575969.db2.gz	PROJQWOMGAROLK-KIHONOKQSA-N	-1	2	539.566	2.905	40	5		KFBBLM
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cc([N+](=O)[O-])c(O)cc3[O-])c(=O)n2[C@@H]1c1ccccc1OC(C)C	ZINC000408830628	1059575819	/nfs/dbraw/zinc/57/58/19/1059575819.db2.gz	PROJQWOMGAROLK-YLVTVWEBSA-N	-1	2	539.566	2.905	40	5		KFBBLM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)cc3[O-])c(=O)n2[C@@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409036426	1059032096	/nfs/dbraw/zinc/03/20/96/1059032096.db2.gz	RHGHEKQFQJDARQ-QJWUKVPRSA-N	-1	2	569.592	2.914	40	5		KFBBLM
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c(O)cc3[O-])c(=O)n2[C@H]1c1ccc(OC(C)C)c(OC)c1	ZINC000409036437	1059647630	/nfs/dbraw/zinc/64/76/30/1059647630.db2.gz	RHGHEKQFQJDARQ-ZYDFGXJWSA-N	-1	2	569.592	2.914	40	5		KFBBLM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(I)c(O)c(I)c2)[nH]1	ZINC000409306330	1059725468	/nfs/dbraw/zinc/72/54/68/1059725468.db2.gz	ZNOCFFFUWPYONT-UPHRSURJSA-N	-1	2	527.012	2.881	40	5		KFBBLM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000409331290	1059726496	/nfs/dbraw/zinc/72/64/96/1059726496.db2.gz	NUISVGQSLUXYQN-VMPITWQZSA-N	-1	2	504.433	2.959	40	5		KFBBLM
O=c1[nH]c(C=Cc2cc(I)c(O)c(I)c2)nc([O-])c1[N+](=O)[O-]	ZINC000409352051	1059728839	/nfs/dbraw/zinc/72/88/39/1059728839.db2.gz	VWJHXPYHHBOWCB-UPHRSURJSA-N	-1	2	527.012	2.881	40	5		KFBBLM