smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2c(N)c3cccc(C(=O)NCC[N+]4(Cc5ccc([N+](=O)[O-])cc5)CCOCC4)c3nc12	ZINC000005922760	561700176	/nfs/dbraw/zinc/70/01/76/561700176.db2.gz	CNIRRDCZYIHLIG-UHFFFAOYSA-O	1	3	500.579	3.964	1	10		KHCFHO
COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCCCCCNC(=O)CCCNC(=O)CN)c2c1	ZINC000028713308	561953866	/nfs/dbraw/zinc/95/38/66/561953866.db2.gz	YRJDDWVQUIDHAI-UHFFFAOYSA-N	1	3	500.043	3.994	1	10		KHCFHO
CC[C@H](NC)C(=O)N[C@@H]1C(=O)N2[C@H](CC[C@H]2C(=O)NC(c2ccccc2)c2ccccc2)CC[C@@H]1CC[NH2+]Cc1ccc(N)cc1	ZINC000082182250	562742189	/nfs/dbraw/zinc/74/21/89/562742189.db2.gz	UPEHNMHOXIXNAU-MCWJOJKXSA-N	1	3	624.830	3.907	1	10		KHCFHO
Cn1c(=O)cc(-c2ccncc2F)nc1N1CCN[C@@H](c2ccc(N3CCC([NH+]4CCCCC4)CC3)cc2)C1	ZINC000113090945	562826220	/nfs/dbraw/zinc/82/62/20/562826220.db2.gz	SWJFEFIMRKJDLP-MUUNZHRXSA-N	1	3	531.680	3.587	1	10		KHCFHO