smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CCc1ccccn1)c1ccc2c(c1)CNCC(=O)N1CC[C@@H](CC(=O)NCC[NH+](C)C)[C@H](C1)CCCO2	ZINC000072320728	553647899	/nfs/dbraw/zinc/64/78/99/553647899.db2.gz	UMTZKVQBOWCVEJ-DQEYMECFSA-N	1	0	550.748	2.555	10	10		KFCERO
O=C(C[C@@H]1CCN2C[C@@H]1/C=C/COc1ccc(N3CC[NH2+]CC3)cc1CNCC2=O)NCc1ccc(Cl)cc1	ZINC000100035124	554187928	/nfs/dbraw/zinc/18/79/28/554187928.db2.gz	PJZLDIHPTNYEHS-DRYSHGSZSA-N	1	0	552.119	2.959	10	10		KFCERO
COc1ccc(N2CCN(CCCNS(=O)(=O)c3cc(Br)cc4c3N(C(C)=O)CC4)CC2)cc1	ZINC000101195293	554671970	/nfs/dbraw/zinc/67/19/70/554671970.db2.gz	IWUSGRAYFLJMJE-UHFFFAOYSA-N	1	0	551.507	2.857	10	10		KFCERO