smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]c[nH]c1CSCCCCCc1ccccc1	ZINC000002049883	169773085	/nfs/dbraw/zinc/77/30/85/169773085.db2.gz	CFHMLLOGBDCSFP-UHFFFAOYSA-N	1	2	274.433	4.364	50	10		CICALO
O=C(Nc1c2ccccc2[nH+]c2ccccc21)c1ccco1	ZINC000075272001	566940751	/nfs/dbraw/zinc/94/07/51/566940751.db2.gz	HLLOXHUGPLOOJY-UHFFFAOYSA-N	1	2	288.306	4.233	50	10		CICALO
Cc1cccc(NCc2cc(Cl)cc(Cl)c2O)[nH+]1	ZINC000018122153	567940251	/nfs/dbraw/zinc/94/02/51/567940251.db2.gz	VRNISOXPCNGGKQ-UHFFFAOYSA-N	1	2	283.158	4.015	50	10		CICALO
c1coc(-c2[nH+]c3ccccn3c2Nc2ccccc2)c1	ZINC000003906248	570329093	/nfs/dbraw/zinc/32/90/93/570329093.db2.gz	SLWCTSPVYONLNO-UHFFFAOYSA-N	1	2	275.311	4.338	50	10		CICALO
CCCn1c2ccccc2[nH+]c1NCc1cc(C)ccc1O	ZINC000000111405	567818399	/nfs/dbraw/zinc/81/83/99/567818399.db2.gz	MQWMBWVDNCWEFV-UHFFFAOYSA-N	1	2	295.386	4.072	50	10		CICALO
Cc1cc[nH+]c(NCc2cc(Cl)cc(Cl)c2O)c1	ZINC000019238211	567877154	/nfs/dbraw/zinc/87/71/54/567877154.db2.gz	VRFLTTSKGURQKS-UHFFFAOYSA-N	1	2	283.158	4.015	50	10		CICALO
CCCCn1c2ccccc2[nH+]c1NCc1ccccc1O	ZINC000001826413	567843614	/nfs/dbraw/zinc/84/36/14/567843614.db2.gz	SERVSPLCWYKOOP-UHFFFAOYSA-N	1	2	295.386	4.154	50	10	aggregator	CICALO
Cc1[nH+]c(-c2ccc(Cl)cc2)n(-c2ccc(N)cc2)c1C	ZINC000002553896	567848007	/nfs/dbraw/zinc/84/80/07/567848007.db2.gz	XFUDKUXVAJWWND-UHFFFAOYSA-N	1	2	297.789	4.392	50	10		CICALO
Cc1ccc(O)c(CNc2[nH+]c3ccccc3n2C(C)C)c1	ZINC000000521634	570285808	/nfs/dbraw/zinc/28/58/08/570285808.db2.gz	PICRASQQCNIMQU-UHFFFAOYSA-N	1	2	295.386	4.243	50	10		CICALO
CCC[N@@H+](Cc1cc(Cl)cc(Cl)c1O)CC1CC1	ZINC000019633833	567877745	/nfs/dbraw/zinc/87/77/45/567877745.db2.gz	YKDNFBXXAAISLS-UHFFFAOYSA-N	1	2	288.218	4.321	50	10		CICALO
CCC[N@H+](Cc1cc(Cl)cc(Cl)c1O)CC1CC1	ZINC000019633833	567877746	/nfs/dbraw/zinc/87/77/46/567877746.db2.gz	YKDNFBXXAAISLS-UHFFFAOYSA-N	1	2	288.218	4.321	50	10		CICALO
Fc1ccc(Nc2c(-c3ccco3)[nH+]c3ccccn32)cc1	ZINC000003906251	570329145	/nfs/dbraw/zinc/32/91/45/570329145.db2.gz	XPIKBTUVNZPCKX-UHFFFAOYSA-N	1	2	293.301	4.477	50	10		CICALO