smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)c1cccc(NC(=O)Nc2nc3ccccc3n2CCN2CCCCC2)c1	ZINC000032502521	518439596	/nfs/dbraw/zinc/43/95/96/518439596.db2.gz	HCYZEDPGTIDZOO-UHFFFAOYSA-N	0	3	405.502	4.369	10	10		HICEHN
CC[C@H]1C[N@H+](Cc2ccc(OC)cc2[O-])CC[C@H]1CC(=O)NCc1ccc(F)cc1	ZINC000005414414	291263485	/nfs/dbraw/zinc/26/34/85/291263485.db2.gz	ZPGCAEKXUODYPD-OALUTQOASA-N	0	3	414.521	4.095	10	10	biogenic	HICEHN
CC[C@H]1C[N@@H+](Cc2ccc(OC)cc2[O-])CC[C@H]1CC(=O)NCc1ccc(F)cc1	ZINC000005414414	291263489	/nfs/dbraw/zinc/26/34/89/291263489.db2.gz	ZPGCAEKXUODYPD-OALUTQOASA-N	0	3	414.521	4.095	10	10	biogenic	HICEHN
Cn1cc2c3c1cccc3[C@H]1C[C@@H](CNC(=O)OCc3ccccc3)CN(C)[C@H]1C2	ZINC000005550602	560202338	/nfs/dbraw/zinc/20/23/38/560202338.db2.gz	WZHJKEUHNJHDLS-ZEYPLWLESA-N	0	3	403.526	4.065	10	10	in-vitro	HICEHN
Cn1cc2c3c1cccc3[C@@H]1C[C@@H](CNC(=O)OCc3ccccc3)CN(C)[C@H]1C2	ZINC000007997796	560206713	/nfs/dbraw/zinc/20/67/13/560206713.db2.gz	WZHJKEUHNJHDLS-HARLFGEKSA-N	0	3	403.526	4.065	10	10	in-vitro	HICEHN