smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(C[N@H+](CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)c1O	ZINC000020912446	525921883	/nfs/dbraw/zinc/92/18/83/525921883.db2.gz	QCKBVHRBPYWQCC-HXUWFJFHSA-N	1	1	429.580	3.816	10	10		IHCEMO
COc1cccc(C[N@@H+](CCN(C)C)C[C@@H]2CCCN(Cc3ccccc3F)C2)c1O	ZINC000020912446	525921891	/nfs/dbraw/zinc/92/18/91/525921891.db2.gz	QCKBVHRBPYWQCC-HXUWFJFHSA-N	1	1	429.580	3.816	10	10		IHCEMO
COc1ccc(N2CCN([C@@H]3CCC[N@@H+](Cc4nc5ccccc5nc4C)C3)CC2)cc1	ZINC000020877644	524431880	/nfs/dbraw/zinc/43/18/80/524431880.db2.gz	VIFAVEWTDZVVKY-JOCHJYFZSA-N	1	1	431.584	3.733	10	10		IHCEMO
COc1ccc(N2CC[NH+]([C@@H]3CCCN(Cc4nc5ccccc5nc4C)C3)CC2)cc1	ZINC000020877644	524431890	/nfs/dbraw/zinc/43/18/90/524431890.db2.gz	VIFAVEWTDZVVKY-JOCHJYFZSA-N	1	1	431.584	3.733	10	10		IHCEMO
CN(C)c1ccc(CN(CCC[NH+]2CCOCC2)C(=S)Nc2ccc(F)cc2F)cc1	ZINC000020215708	556999535	/nfs/dbraw/zinc/99/95/35/556999535.db2.gz	VVYLCMZMXITKQN-UHFFFAOYSA-N	1	1	448.583	3.952	10	10		IHCEMO
COc1cccc(C[N@H+](CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)c1O	ZINC000020912449	525919537	/nfs/dbraw/zinc/91/95/37/525919537.db2.gz	QCKBVHRBPYWQCC-FQEVSTJZSA-N	1	1	429.580	3.816	10	10		IHCEMO
COc1cccc(C[N@@H+](CCN(C)C)C[C@H]2CCCN(Cc3ccccc3F)C2)c1O	ZINC000020912449	525919545	/nfs/dbraw/zinc/91/95/45/525919545.db2.gz	QCKBVHRBPYWQCC-FQEVSTJZSA-N	1	1	429.580	3.816	10	10		IHCEMO
COc1ccc(N2CCN([C@H]3CCC[N@@H+](Cc4nc5ccccc5nc4C)C3)CC2)cc1	ZINC000020877647	524434320	/nfs/dbraw/zinc/43/43/20/524434320.db2.gz	VIFAVEWTDZVVKY-QFIPXVFZSA-N	1	1	431.584	3.733	10	10		IHCEMO
COc1ccc(N2CC[NH+]([C@H]3CCCN(Cc4nc5ccccc5nc4C)C3)CC2)cc1	ZINC000020877647	524434326	/nfs/dbraw/zinc/43/43/26/524434326.db2.gz	VIFAVEWTDZVVKY-QFIPXVFZSA-N	1	1	431.584	3.733	10	10		IHCEMO