smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Oc1cccc2c1C[N@@H+]1CCc3cc4c(cc3[C@H]1C2)OCO4	ZINC000096930036	185132084	/nfs/dbraw/zinc/13/20/84/185132084.db2.gz	VNNDXBUBKOYLIM-OAHLLOKOSA-N	1	2	295.338	2.776	1	10		CFCFLO
Oc1cccc2c1C[N@H+]1CCc3cc4c(cc3[C@H]1C2)OCO4	ZINC000096930036	185132085	/nfs/dbraw/zinc/13/20/85/185132085.db2.gz	VNNDXBUBKOYLIM-OAHLLOKOSA-N	1	2	295.338	2.776	1	10		CFCFLO
Oc1cc2c(cc1O)[C@H](c1c(F)cccc1F)[NH2+]CC2	ZINC000020808206	171273017	/nfs/dbraw/zinc/27/30/17/171273017.db2.gz	UVGQRNPTSHVVGZ-OAHLLOKOSA-N	1	2	277.270	2.611	1	10		CFCFLO
Oc1cc2c(cc1O)[C@@H](c1c(F)cccc1F)[NH2+]CC2	ZINC000020808209	171273027	/nfs/dbraw/zinc/27/30/27/171273027.db2.gz	UVGQRNPTSHVVGZ-HNNXBMFYSA-N	1	2	277.270	2.611	1	10		CFCFLO
Cc1cc2[nH+]cn(CC(=O)c3ccc(O)c(O)c3)c2cc1C	ZINC000045372237	175365063	/nfs/dbraw/zinc/36/50/63/175365063.db2.gz	FYCXFOMMDOYMPH-UHFFFAOYSA-N	1	2	296.326	2.947	1	10		CFCFLO
Oc1cccc2c1C[N@@H+]1CCc3cc4c(cc3[C@@H]1C2)OCO4	ZINC000096930035	185132289	/nfs/dbraw/zinc/13/22/89/185132289.db2.gz	VNNDXBUBKOYLIM-HNNXBMFYSA-N	1	2	295.338	2.776	1	10		CFCFLO
Oc1cccc2c1C[N@H+]1CCc3cc4c(cc3[C@@H]1C2)OCO4	ZINC000096930035	185132290	/nfs/dbraw/zinc/13/22/90/185132290.db2.gz	VNNDXBUBKOYLIM-HNNXBMFYSA-N	1	2	295.338	2.776	1	10		CFCFLO
O=[N+]([O-])c1cc(-c2c[nH+]cn2-c2ccccc2)cc(O)c1O	ZINC000049111031	527325336	/nfs/dbraw/zinc/32/53/36/527325336.db2.gz	ZYQIMAMAPQKKEJ-UHFFFAOYSA-N	1	2	297.270	2.859	1	10		CFCFLO