smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C2(c3cc(C)c(O)c(C[NH+](CC(=O)[O-])CC(=O)[O-])c3)OC(=O)c3ccccc32)cc(CN(CC(=O)[O-])CC(=O)[O-])c1O	ZINC000004261832	552454103	/nfs/dbraw/zinc/45/41/03/552454103.db2.gz	IYZPEGVSBUNMBE-UHFFFAOYSA-N	-3	1	636.610	2.119	50	10		KECAML
O=C1c2c([O-])cc(S(=O)(=O)[O-])cc2C=C(S(=O)(=O)[O-])C1=NNc1ccc(S(=O)(=O)[O-])cc1	ZINC000005223998	552495252	/nfs/dbraw/zinc/49/52/52/552495252.db2.gz	QUIGZRGHRCBCRU-ISLYRVAYSA-N	-4	1	504.476	2.407	50	10		KECAML
O=C([O-])COc1c(I)cc(C=C2C(=O)[N-]C(=S)NC2=O)cc1I	ZINC000033358385	553955118	/nfs/dbraw/zinc/95/51/18/553955118.db2.gz	BBVCFMCRZPNBRG-UHFFFAOYSA-N	-2	1	558.091	2.114	50	10		KECAML
O=C([O-])COc1c(I)cc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1I	ZINC000033358385	553955114	/nfs/dbraw/zinc/95/51/14/553955114.db2.gz	BBVCFMCRZPNBRG-UHFFFAOYSA-N	-2	1	558.091	2.114	50	10		KECAML
O=C([O-])COc1c(I)cc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1I	ZINC000033358385	553955110	/nfs/dbraw/zinc/95/51/10/553955110.db2.gz	BBVCFMCRZPNBRG-UHFFFAOYSA-N	-2	1	558.091	2.114	50	10		KECAML
CN(C)c1ccc([C@H](Nc2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1	ZINC000101290711	554707976	/nfs/dbraw/zinc/70/79/76/554707976.db2.gz	VRYBNKQHBSSCRY-LPHOPBHVSA-N	-2	1	543.005	2.194	50	10		KECAML
CN(C)c1ccc([C@H](Nc2nc([O-])c(CC(=O)Nc3ccc(Cl)cc3)s2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1	ZINC000101290720	554708067	/nfs/dbraw/zinc/70/80/67/554708067.db2.gz	VRYBNKQHBSSCRY-APWZRJJASA-N	-2	1	543.005	2.194	50	10		KECAML
CN(C)c1ccc([C@H](Nc2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1	ZINC000102072859	554874095	/nfs/dbraw/zinc/87/40/95/554874095.db2.gz	FXHMZXNWJHPZRB-LPHOPBHVSA-N	-2	1	543.005	2.194	50	10		KECAML
CN(C)c1ccc([C@H](Nc2nc([O-])c(CC(=O)Nc3cccc(Cl)c3)s2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1	ZINC000102072869	554874160	/nfs/dbraw/zinc/87/41/60/554874160.db2.gz	FXHMZXNWJHPZRB-APWZRJJASA-N	-2	1	543.005	2.194	50	10		KECAML
Cc1[nH]n(-c2ccc(S(=O)(=O)[O-])cc2)c(=O)c1C=C1C(=O)N(c2ccc(S(=O)(=O)[O-])cc2)N=C1C	ZINC000102315690	554911601	/nfs/dbraw/zinc/91/16/01/554911601.db2.gz	BJVYYBLMMMDMOC-ODLFYWEKSA-N	-2	1	518.529	2.186	50	10		KECAML