smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(CCN2C(=O)NC(=O)C(=CNN=c3[nH]c4c(c(=O)n(C)c(=O)n4C)n3C)C2=O)cc1OC	ZINC000001874127	551720750	/nfs/dbraw/zinc/72/07/50/551720750.db2.gz	JCLFRISYTXQNPF-QBFSEMIESA-N	0	1	526.510	-0.050	50	10		KBCAMN
CC[N@H+]1CCN2c3ccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000016972903	553585784	/nfs/dbraw/zinc/58/57/84/553585784.db2.gz	XJQLIDITBVTWNG-KRWDZBQOSA-N	0	1	509.523	-0.548	50	10		KBCAMN
CC[N@@H+]1CCN2c3ccc(NC=C4C(=O)N(C)C(=O)N(C)C4=O)cc3CC3(C(=O)[N-]C(=O)NC3=O)[C@@H]2C1	ZINC000016972903	553585783	/nfs/dbraw/zinc/58/57/83/553585783.db2.gz	XJQLIDITBVTWNG-KRWDZBQOSA-N	0	1	509.523	-0.548	50	10		KBCAMN