smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@H]2C[N@@H+](C)CCN32)C(=O)NC1=S	ZINC000107941628	571421768	/nfs/dbraw/zinc/42/17/68/571421768.db2.gz	PEEUZZNVZOPZOP-JBXOJTMHSA-N	1	2	523.575	0.897	50	30		KCEALO
C=CCN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@H]2C[N@H+](C)CCN32)C(=O)NC1=S	ZINC000107941628	571421766	/nfs/dbraw/zinc/42/17/66/571421766.db2.gz	PEEUZZNVZOPZOP-JBXOJTMHSA-N	1	2	523.575	0.897	50	30		KCEALO