smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1C(=O)[N-]C(=O)C(=CN[C@H](Cc2ccc(O)cc2)C(=O)[O-])C1=O	ZINC000020567763	212147630	/nfs/dbraw/zinc/14/76/30/212147630.db2.gz	IPUBUESWGPPOPU-NXIHDVOMSA-N	-2	0	347.327	-0.040	50	10		EBCARL
Cc1ccc(N2[N-]C(=O)C(=C3C(=O)[N-]C(=O)NC3=O)C2=O)cc1C	ZINC000004502149	301631507	/nfs/dbraw/zinc/63/15/07/301631507.db2.gz	UOXPWPCBHPHLCA-UHFFFAOYSA-N	-2	0	328.284	-0.656	50	10		EBCARL
CCN1C(=O)[N-]C(=O)C(=CN[C@@H](Cc2ccc(O)cc2)C(=O)[O-])C1=O	ZINC000020567762	212147427	/nfs/dbraw/zinc/14/74/27/212147427.db2.gz	IPUBUESWGPPOPU-KGTBHZDVSA-N	-2	0	347.327	-0.040	50	10		EBCARL
O=C([O-])C[C@H](NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O)C(=O)[O-]	ZINC000020589135	135721804	/nfs/dbraw/zinc/72/18/04/135721804.db2.gz	DBESDXWFLZKGOX-RNKPRXRFSA-N	-3	0	347.283	-0.329	50	10		EBCARL
O=C([O-])C[C@@H](NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O)C(=O)[O-]	ZINC000020589132	376008780	/nfs/dbraw/zinc/00/87/80/376008780.db2.gz	DBESDXWFLZKGOX-UJICNMFASA-N	-3	0	347.283	-0.329	50	10		EBCARL