smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nnc(C(=O)NC(C)(C)c2nc(/C([O-])=N/Cc3ccc(F)cc3)c([O-])c(=O)n2C)o1	ZINC000013831130	556317001	/nfs/dbraw/zinc/31/70/01/556317001.db2.gz	CZFFBEXEKNGXKS-UHFFFAOYSA-N	-2	1	444.423	1.486	50	30	fda	IDEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000103047864	557416662	/nfs/dbraw/zinc/41/66/62/557416662.db2.gz	QWNLVFJAYZOLCD-ZQIUZPCESA-N	-2	1	436.807	1.835	50	30		IDEAML
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000100326746	557257735	/nfs/dbraw/zinc/25/77/35/557257735.db2.gz	QWNLVFJAYZOLCD-JKIFEVAISA-N	-2	1	436.807	1.835	50	30		IDEAML
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000100326752	557257723	/nfs/dbraw/zinc/25/77/23/557257723.db2.gz	QWNLVFJAYZOLCD-CKEIUWERSA-N	-2	1	436.807	1.835	50	30		IDEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000221535541	556699960	/nfs/dbraw/zinc/69/99/60/556699960.db2.gz	QWNLVFJAYZOLCD-CPUCHLNUSA-N	-2	1	436.807	1.835	50	30		IDEAML
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000100326743	557257746	/nfs/dbraw/zinc/25/77/46/557257746.db2.gz	QWNLVFJAYZOLCD-GRDNDAEWSA-N	-2	1	436.807	1.835	50	30		IDEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000103047870	557416621	/nfs/dbraw/zinc/41/66/21/557416621.db2.gz	QWNLVFJAYZOLCD-KEYYUXOJSA-N	-2	1	436.807	1.835	50	30		IDEAML
C=CCN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Br)c2)C(=O)[N-]C1=S	ZINC000002995803	557670088	/nfs/dbraw/zinc/67/00/88/557670088.db2.gz	NQJDKGYSYUUXBC-UXBLZVDNSA-N	-2	1	425.260	1.725	50	30		IDEAML
COc1nccnc1[N-]S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(C#N)c2)cc1	ZINC000095460446	569369634	/nfs/dbraw/zinc/36/96/34/569369634.db2.gz	DOQGZYAZUKFZSK-UHFFFAOYSA-N	-2	1	445.482	1.958	50	30		IDEAML
O=C([O-])[C@@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000100326748	557257777	/nfs/dbraw/zinc/25/77/77/557257777.db2.gz	QWNLVFJAYZOLCD-JJRVBVJISA-N	-2	1	436.807	1.835	50	30		IDEAML
O=C([O-])[C@H]1NC(C2C(=O)c3ccccc3C2=O)=C2C(=O)N(c3ccc(Cl)cc3)C([O-])=C21	ZINC000195808358	569205831	/nfs/dbraw/zinc/20/58/31/569205831.db2.gz	QWNLVFJAYZOLCD-VBQJREDUSA-N	-2	1	436.807	1.835	50	30		IDEAML