smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)C(=CN[C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C(=O)N(C)C1=O	ZINC000020567519	182233376	/nfs/dbraw/zinc/23/33/76/182233376.db2.gz	BFLAZNTZHDJQHM-VIFPVBQESA-N	0	2	321.293	-1.071	50	10		DACALN
CN1C(=O)C(=CN[C@@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C(=O)N(C)C1=O	ZINC000020567519	182233378	/nfs/dbraw/zinc/23/33/78/182233378.db2.gz	BFLAZNTZHDJQHM-VIFPVBQESA-N	0	2	321.293	-1.071	50	10		DACALN
Cn1c(O)c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c(=O)n(C)c1=O	ZINC000003181260	302897186	/nfs/dbraw/zinc/89/71/86/302897186.db2.gz	OWCWAPPILNWJTL-UHFFFAOYSA-N	0	2	322.277	-1.777	50	10		DACALN
CC(=O)N1CCN(CCNC=C2C(=O)NC(=O)NC2=O)CC1	ZINC000020135932	182190671	/nfs/dbraw/zinc/19/06/71/182190671.db2.gz	DRFVZVJNVKPHCR-UHFFFAOYSA-N	0	2	309.326	-2.010	50	10		DACALN
CN1C(=O)C(=CN[C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])C(=O)N(C)C1=O	ZINC000020567520	182233597	/nfs/dbraw/zinc/23/35/97/182233597.db2.gz	BFLAZNTZHDJQHM-SECBINFHSA-N	0	2	321.293	-1.071	50	10		DACALN
CN1C(=O)C(=CN[C@H](Cc2c[nH]c[nH+]2)C(=O)[O-])C(=O)N(C)C1=O	ZINC000020567520	182233598	/nfs/dbraw/zinc/23/35/98/182233598.db2.gz	BFLAZNTZHDJQHM-SECBINFHSA-N	0	2	321.293	-1.071	50	10		DACALN