smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(N(Cc2[nH]cc[nH+]2)[C@@H]2c3cc(N)ccc3O[C@@](C)(C(OC)OC)[C@H]2O)cc1	ZINC000029401253	563102548	/nfs/dbraw/zinc/10/25/48/563102548.db2.gz	GUCYQVAGPLOJSY-AOHZBQACSA-N	1	2	454.527	2.879	1	10		JFCFLO
COc1ccc(N(Cc2[nH]cc[nH+]2)[C@H]2c3cc(N)ccc3O[C@](C)(C(OC)OC)[C@@H]2O)cc1	ZINC000029402982	563102719	/nfs/dbraw/zinc/10/27/19/563102719.db2.gz	GUCYQVAGPLOJSY-ZDXQCDESSA-N	1	2	454.527	2.879	1	10		JFCFLO
Nc1ccccc1NC(=O)CCCCCN1C(=O)c2cc(O)c(C[NH+]3CCOCC3)cc2C1=O	ZINC000013588624	562977667	/nfs/dbraw/zinc/97/76/67/562977667.db2.gz	FPTLNIKQDHBHON-UHFFFAOYSA-N	1	2	466.538	2.602	1	10		JFCFLO
NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000015936240	563012097	/nfs/dbraw/zinc/01/20/97/563012097.db2.gz	AQOPOCQGSPMDTL-HXUWFJFHSA-N	1	2	474.521	2.663	3	10		JFCFLO
NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccc(N2CCN(c3cccc[nH+]3)CC2)c([N+](=O)[O-])c1	ZINC000015936241	563012115	/nfs/dbraw/zinc/01/21/15/563012115.db2.gz	AQOPOCQGSPMDTL-FQEVSTJZSA-N	1	2	474.521	2.663	3	10		JFCFLO
CCOc1nc2ccccc2nc1C(=O)Nc1cc(C[NH+]2CCOCC2)c(O)c(N2CCOCC2)c1	ZINC000040565610	563145569	/nfs/dbraw/zinc/14/55/69/563145569.db2.gz	UZEDTYIQWUBDES-UHFFFAOYSA-N	1	2	493.564	2.655	1	10		JFCFLO
COc1ccc(Nc2nc(N3CCOCC3)[nH+]c(N3CCN(c4ccc(OC)cc4)CC3)n2)cc1	ZINC000009490056	524719200	/nfs/dbraw/zinc/71/92/00/524719200.db2.gz	KXBNNKBMGSVPOH-UHFFFAOYSA-N	1	2	477.569	2.796	1	10		JFCFLO