smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1c(O)cc2c(c1Cl)CC[NH2+]C[C@H]2c1cc(Cl)c([O-])c(Cl)c1	ZINC000027107184	204859558	/nfs/dbraw/zinc/85/95/58/204859558.db2.gz	LBUCGEYLJXJMTP-JTQLQIEISA-N	-1	3	374.651	4.041	1	10		FICFHM
CC(C)=CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)c([O-])c1	ZINC000064526686	205299374	/nfs/dbraw/zinc/29/93/74/205299374.db2.gz	KYSYWSYEMSOXEN-OAQYLSRUSA-N	-1	3	364.445	4.435	1	10		FICFHM
CC(C)[C@@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@H](c2ccccc2[O-])N1	ZINC000004729837	207043688	/nfs/dbraw/zinc/04/36/88/207043688.db2.gz	SBFZWOPZJAQSEJ-UTKZUKDTSA-N	-1	3	352.434	4.017	1	10		FICFHM
CC(C)[C@H]1N=C(c2ccc3c(c2)OCO3)C[C@@H](c2cc(Cl)ccc2[O-])N1	ZINC000004729610	207043737	/nfs/dbraw/zinc/04/37/37/207043737.db2.gz	SRVKWLXVSOAVPE-JXFKEZNVSA-N	-1	3	372.852	4.280	1	10		FICFHM
CC(C)[C@@H]1N=C(c2ccc3c(c2)OCO3)C[C@H](c2cc(Cl)ccc2[O-])N1	ZINC000004729613	207042780	/nfs/dbraw/zinc/04/27/80/207042780.db2.gz	SRVKWLXVSOAVPE-OXQOHEQNSA-N	-1	3	372.852	4.280	1	10		FICFHM
CCOC(=O)c1[n-]c2ccc(Cl)cc2c1/N=N\N1CCSCC1	ZINC000102467834	209235902	/nfs/dbraw/zinc/23/59/02/209235902.db2.gz	DZIWULKUNIZNMX-HNENSFHCSA-N	-1	3	352.847	4.046	1	10		FICFHM
CC(C)[C@@]1(C)N=C(c2ccc3c(c2)OCO3)C[C@@H](c2ccccc2[O-])N1	ZINC000004729834	207042891	/nfs/dbraw/zinc/04/28/91/207042891.db2.gz	SBFZWOPZJAQSEJ-UWJYYQICSA-N	-1	3	352.434	4.017	1	10		FICFHM
CN1CCCC[C@H]1c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000015114137	211123019	/nfs/dbraw/zinc/12/30/19/211123019.db2.gz	BBZGOLNDVQZCIH-AWEZNQCLSA-N	-1	3	351.402	4.028	1	10	in-vitro	FICFHM
CN1CCCC[C@@H]1c1c([O-])cc([O-])c2c(=O)cc(-c3ccccc3)oc21	ZINC000015114135	210182342	/nfs/dbraw/zinc/18/23/42/210182342.db2.gz	BBZGOLNDVQZCIH-CQSZACIVSA-N	-1	3	351.402	4.028	1	10	in-vitro	FICFHM
CN1CCCC[C@@H]1c1c([O-])cc(O)c2c(=O)cc(-c3ccccc3)oc21	ZINC000015114135	210182346	/nfs/dbraw/zinc/18/23/46/210182346.db2.gz	BBZGOLNDVQZCIH-CQSZACIVSA-N	-1	3	351.402	4.028	1	10	in-vitro	FICFHM
Cc1ccc(Nc2nc(-c3cc(O)c([O-])c(O)c3)nc3ccccc32)cc1	ZINC000058590795	212011786	/nfs/dbraw/zinc/01/17/86/212011786.db2.gz	PMWPBOVBOHTGOA-UHFFFAOYSA-N	-1	3	359.385	4.466	1	10		FICFHM
[O-]c1c(O)cc(-c2nc3ccccc3c(NCc3ccccc3)n2)cc1O	ZINC000058583398	221121451	/nfs/dbraw/zinc/12/14/51/221121451.db2.gz	RAWHJJQYDORXAN-UHFFFAOYSA-N	-1	3	359.385	4.026	1	10		FICFHM
O=c1cc([O-])n(-c2ccccc2)n1/C(=C/c1ccccc1)c1ccccc1	ZINC000102979816	222316549	/nfs/dbraw/zinc/31/65/49/222316549.db2.gz	CJSGWAAGUVCPFG-LTGZKZEYSA-N	-1	3	354.409	4.365	1	10		FICFHM