smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(O)c(C[NH2+]C[C@H](O)CO)c1	ZINC000083370059	384766847	/nfs/dbraw/zinc/76/68/47/384766847.db2.gz	ZPNQLGQSUBQJJJ-VIFPVBQESA-N	1	2	242.231	-0.257	20	10		BBCDLO
O=[N+]([O-])c1ccc(O)c(C[NH2+]C[C@@H](O)CO)c1	ZINC000083370060	384764998	/nfs/dbraw/zinc/76/49/98/384764998.db2.gz	ZPNQLGQSUBQJJJ-SECBINFHSA-N	1	2	242.231	-0.257	20	10		BBCDLO
Nc1ccc(NC(=O)CN2CC[NH2+]CC2=O)cc1	ZINC000238139761	642787595	/nfs/dbraw/zinc/78/75/95/642787595.db2.gz	DLGIREBMMJTASY-UHFFFAOYSA-N	1	2	248.286	-0.361	20	10		BBCDLO
CN1C(=O)C(=Cc2[nH]cc[nH+]2)C(=O)N(C)C1=O	ZINC000731155803	584922935	/nfs/dbraw/zinc/92/29/35/584922935.db2.gz	TYBJBQALRXYJIB-UHFFFAOYSA-N	1	2	234.215	-0.157	20	10		BBCDLO
Cn1c[nH+]c(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1	ZINC000800792094	586228392	/nfs/dbraw/zinc/22/83/92/586228392.db2.gz	LCHRPIZAOIUMFM-UHFFFAOYSA-N	1	2	248.242	-0.146	20	10		BBCDLO
Cn1c[nH+]cc1C=C1C(=O)N(C)C(=O)N(C)C1=O	ZINC000901415923	584441665	/nfs/dbraw/zinc/44/16/65/584441665.db2.gz	CIFKROQJTPRCPZ-UHFFFAOYSA-N	1	2	248.242	-0.146	20	10		BBCDLO