smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O/N=C1\[C@@H]2CC[C@@H](C2)[C@@H]1[NH+]1CCC(CCCC2CC[NH+]([C@H]3/C(=N\O)[C@H]4CC[C@@H]3C4)CC2)CC1	ZINC000016138099	556127169	/nfs/dbraw/zinc/12/71/69/556127169.db2.gz	PWOVOQUQSFSBBG-SJFNGPRLSA-N	2	0	456.675	4.838	40	30		JJEBRP
O/N=C1\[C@H]2CC[C@H](C2)[C@@H]1[NH+]1CCC(CCCC2CC[NH+]([C@H]3/C(=N\O)[C@H]4CC[C@@H]3C4)CC2)CC1	ZINC000016138101	556127132	/nfs/dbraw/zinc/12/71/32/556127132.db2.gz	PWOVOQUQSFSBBG-WGKQAUHLSA-N	2	0	456.675	4.838	40	30		JJEBRP
C[NH+](C)C[C@H]1CCC2=C(C1=O)C(c1ccc(Cl)c(Cl)c1)C1=C(CC[C@@H](C[NH+](C)C)C1=O)O2	ZINC000001588175	553979937	/nfs/dbraw/zinc/97/99/37/553979937.db2.gz	FEHKQTCFKALTRL-GWTOYCKXSA-N	2	0	477.432	4.697	40	30	in-vitro	JJEBRP