smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nnc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(C)c(C)c4)c3=O)cc2)s1	ZINC000008690289	562953754	/nfs/dbraw/zinc/95/37/54/562953754.db2.gz	IVQVKEFZHUOPFV-ZMOGYAJESA-N	-2	0	496.618	4.468	1	30		JIEFRL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000016292703	563013067	/nfs/dbraw/zinc/01/30/67/563013067.db2.gz	ILALVSRXKAQMFV-YDZHTSKRSA-N	-2	0	453.549	4.203	1	30		JIEFRL
CC(C)C(=O)C1=C(O)C(C)(C)C(=O)C(CC2=C([O-])C(C)(C)C(=O)C(=C([O-])C(C)C)C2=O)=C1[O-]	ZINC000001611869	560182995	/nfs/dbraw/zinc/18/29/95/560182995.db2.gz	LQRITHIVKHPBKM-UHFFFAOYSA-N	-3	0	460.523	4.293	1	30	biogenic,in-vitro	JIEFRL
CSc1ccc(CN=Nc2ccc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000033396882	525951761	/nfs/dbraw/zinc/95/17/61/525951761.db2.gz	MYWXTSYJNKOSOK-XKZIYDEJSA-N	-2	0	486.531	4.262	1	30		JIEFRL
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1	ZINC000006034766	562936509	/nfs/dbraw/zinc/93/65/09/562936509.db2.gz	QZJODJMYPMHFBO-VULFUBBASA-N	-2	0	490.589	4.461	1	30		JIEFRL
CCc1nnc([N-]S(=O)(=O)c2ccc(N=Cc3c(C)[n-]n(-c4ccc(C)cc4)c3=O)cc2)s1	ZINC000017722412	563014253	/nfs/dbraw/zinc/01/42/53/563014253.db2.gz	VRBPNVIHSUZYSX-YDZHTSKRSA-N	-2	0	482.591	4.160	1	30		JIEFRL
O=C([O-])C(=O)CC(=O)c1cccc(C(c2cccc(C(=O)CC(=O)C(=O)[O-])c2)c2ccccc2F)c1	ZINC000100837197	581102220	/nfs/dbraw/zinc/10/22/20/581102220.db2.gz	YFPIHZSEVHPBGW-JZTLMNBPSA-N	-2	0	490.439	4.111	1	30		JIEFRL