smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)n(C[C@@H]2CCCO2)c(=O)c1C(=O)Nc1ccc2[nH]c(C(C)C)[nH+]c2c1	ZINC000218499336	568481091	/nfs/dbraw/zinc/48/10/91/568481091.db2.gz	LXQKRPVKZNAMCE-KRWDZBQOSA-N	1	2	408.502	3.896	50	70		HHIALO
Cc1cc(C)n(C[C@H]2CCCO2)c(=O)c1C(=O)Nc1ccc2[nH]c(C(C)C)[nH+]c2c1	ZINC000218499419	568481105	/nfs/dbraw/zinc/48/11/05/568481105.db2.gz	LXQKRPVKZNAMCE-QGZVFWFLSA-N	1	2	408.502	3.896	50	70		HHIALO
CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1	ZINC000217583362	568895217	/nfs/dbraw/zinc/89/52/17/568895217.db2.gz	YFMMOCVQZBMPGN-ANULTFPQSA-N	1	2	422.912	3.738	50	70		HHIALO
CCc1ccc(N2C(=O)[C@H]3[C@H]4CCC[N@H+]4[C@H](C(=O)c4ccc(Cl)cc4)[C@H]3C2=O)cc1	ZINC000217583362	568895218	/nfs/dbraw/zinc/89/52/18/568895218.db2.gz	YFMMOCVQZBMPGN-ANULTFPQSA-N	1	2	422.912	3.738	50	70		HHIALO
COc1ccc(CNc2nc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cs2)cc1	ZINC000218300675	568478110	/nfs/dbraw/zinc/47/81/10/568478110.db2.gz	QEXGUGRPQBNNAG-UHFFFAOYSA-N	1	2	422.554	3.722	50	70		HHIALO
Cc1cc(C)nc(N2CCC(C(=O)Nc3ccc4c(c3)[nH+]c(C(C)C)n4C)CC2)n1	ZINC000218272350	568477222	/nfs/dbraw/zinc/47/72/22/568477222.db2.gz	UPHFPUSZKIVQBW-UHFFFAOYSA-N	1	2	406.534	3.959	50	70		HHIALO