smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(C#CC[NH+]2CCSCC2)nc3N)[C@H](O)[C@@H]1O	ZINC000012405850	562982009	/nfs/dbraw/zinc/98/20/09/562982009.db2.gz	GJOQEINPYFPVGM-QCUYGVNKSA-N	1	2	447.521	-1.436	1	30		IAEFLO
C=CCN1C(=O)C[C@@H](C(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000026268240	563030377	/nfs/dbraw/zinc/03/03/77/563030377.db2.gz	NHWDWMDANWRCQV-BFHYXJOUSA-N	1	2	431.453	-1.590	1	30		IAEFLO
C=CCN1C(=O)C[C@@H](C(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O	ZINC000026268240	563030376	/nfs/dbraw/zinc/03/03/76/563030376.db2.gz	NHWDWMDANWRCQV-BFHYXJOUSA-N	1	2	431.453	-1.590	1	30		IAEFLO
CCNC(=O)[C@H]1O[C@H](n2cnc3c2nc(C#CC[NH+]2CCSCC2)nc3N)[C@H](O)[C@@H]1O	ZINC000048998067	563135013	/nfs/dbraw/zinc/13/50/13/563135013.db2.gz	GJOQEINPYFPVGM-YGTYGHESSA-N	1	2	447.521	-1.436	1	30		IAEFLO