smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)c([O-])c1	ZINC000408741663	557808658	/nfs/dbraw/zinc/80/86/58/557808658.db2.gz	NAAFCEHBPQXPDI-RVQTXVGNSA-N	-2	3	408.266	3.465	40	30		HGEBHL
Cc1ncc(CO)c(C=NNc2c(Cl)c(Cl)nc(C(=O)[O-])c2Cl)c1[O-]	ZINC000006686427	568457446	/nfs/dbraw/zinc/45/74/46/568457446.db2.gz	XMXUANXEWGDGKV-QBROUFQSSA-N	-2	3	405.625	3.087	40	30		HGEBHL
Cc1ncc(CO)c(CN=Nc2c(Cl)c(Cl)nc(C(=O)[O-])c2Cl)c1[O-]	ZINC000006686427	568457448	/nfs/dbraw/zinc/45/74/48/568457448.db2.gz	XMXUANXEWGDGKV-QBROUFQSSA-N	-2	3	405.625	3.087	40	30		HGEBHL
C=CCOc1c(C=C(Sc2n[n-]c(CC)n2)C(=O)[O-])cc([N+](=O)[O-])cc1OC	ZINC000408632510	557582526	/nfs/dbraw/zinc/58/25/26/557582526.db2.gz	QQHPCQYKARNAGG-MDWZMJQESA-N	-2	3	406.420	3.067	40	30		HGEBHL
O=C1[N-]C(=S)N(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(Cl)c([O-])c1	ZINC000408741665	557808698	/nfs/dbraw/zinc/80/86/98/557808698.db2.gz	NAAFCEHBPQXPDI-WUWVFJBVSA-N	-2	3	408.266	3.465	40	30		HGEBHL
CCOc1nnc([N-]S(=O)(=O)c2ccc(/N=C/c3ccccc3[O-])cc2)s1	ZINC000005345212	557645801	/nfs/dbraw/zinc/64/58/01/557645801.db2.gz	PWPOHRLMFAGZCI-WOJGMQOQSA-N	-2	3	404.473	3.194	40	30		HGEBHL
C=CCOc1c(C=C(Sc2n[n-]c(CCC)n2)C(=O)[O-])cc([N+](=O)[O-])cc1OC	ZINC000408632167	557576675	/nfs/dbraw/zinc/57/66/75/557576675.db2.gz	OJAJRIUCPVJQIG-NTEUORMPSA-N	-2	3	420.447	3.457	40	30		HGEBHL