smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1	ZINC000005007934	194402664	/nfs/dbraw/zinc/40/26/64/194402664.db2.gz	MJDKJIBIUCTDIG-UHFFFAOYSA-N	2	2	479.522	3.265	40	10		JGCBLP
Cc1ccc(O)c(C[N@@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1	ZINC000257296265	570137269	/nfs/dbraw/zinc/13/72/69/570137269.db2.gz	RBZZRUMUEGCUHZ-SANMLTNESA-N	2	2	488.028	3.168	40	10		JGCBLP
Cc1ccc(O)c(C[N@H+]2CCO[C@@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1	ZINC000257296265	570137270	/nfs/dbraw/zinc/13/72/70/570137270.db2.gz	RBZZRUMUEGCUHZ-SANMLTNESA-N	2	2	488.028	3.168	40	10		JGCBLP
Cc1ccc(O)c(C[N@@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1	ZINC000257296264	570137371	/nfs/dbraw/zinc/13/73/71/570137371.db2.gz	RBZZRUMUEGCUHZ-AREMUKBSSA-N	2	2	488.028	3.168	40	10		JGCBLP
Cc1ccc(O)c(C[N@H+]2CCO[C@](COc3ccc(Cl)cc3)(CC(=O)N3CC[NH+](C)CC3)C2)c1	ZINC000257296264	570137372	/nfs/dbraw/zinc/13/73/72/570137372.db2.gz	RBZZRUMUEGCUHZ-AREMUKBSSA-N	2	2	488.028	3.168	40	10		JGCBLP