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[nH]c2cc([N+](=O)[O-])c(-n3cc[nH+]c3)cc2n(CC2CCCCC2)c1=O	ZINC000013759226	581101807	/nfs/dbraw/zinc/10/18/07/581101807.db2.gz	QZDHGWXNSCMSGA-UHFFFAOYSA-N	1	2	369.381	2.364	1	5		FEBFLO
O=c1[nH]c2cc([N+](=O)[O-])c(-n3cc[nH+]c3)cc2n(C2CCCCC2)c1=O	ZINC000013759225	581101730	/nfs/dbraw/zinc/10/17/30/581101730.db2.gz	CTSBLEQRCSMECP-UHFFFAOYSA-N	1	2	355.354	2.289	1	5		FEBFLO
Nc1ccc(-c2ccc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)cc2)c[nH+]1	ZINC000066251788	205366163	/nfs/dbraw/zinc/36/61/63/205366163.db2.gz	OEYDRULCQMMHFL-HNNXBMFYSA-N	1	2	367.365	2.413	1	5		FEBFLO
C[N@@H+]1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)C(=O)C1	ZINC000095558707	209080860	/nfs/dbraw/zinc/08/08/60/209080860.db2.gz	YQLLONIEIFEJGE-MRXNPFEDSA-N	1	2	370.365	2.332	1	5		FEBFLO
C[N@H+]1CCN(c2ccc([C@H]3CC(c4ccc([N+](=O)[O-])o4)=NO3)cc2)C(=O)C1	ZINC000095558707	209080862	/nfs/dbraw/zinc/08/08/62/209080862.db2.gz	YQLLONIEIFEJGE-MRXNPFEDSA-N	1	2	370.365	2.332	1	5		FEBFLO
O=C(n1nnc2ccccc21)N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000095578400	209082633	/nfs/dbraw/zinc/08/26/33/209082633.db2.gz	KVPRSLKRVLHJKI-UHFFFAOYSA-N	1	2	366.381	2.125	1	5		FEBFLO
O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)C[NH2+][C@H](CF)C3)cc1	ZINC000013581961	211040872	/nfs/dbraw/zinc/04/08/72/211040872.db2.gz	FWEQVNUHWLTAQJ-AWEZNQCLSA-N	1	2	365.386	2.379	1	5		FEBFLO
O=[N+]([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)C[NH2+][C@H](CF)C3)c1	ZINC000013581972	220075969	/nfs/dbraw/zinc/07/59/69/220075969.db2.gz	YVBDFPWDLYAGPR-AWEZNQCLSA-N	1	2	365.386	2.379	1	5		FEBFLO