smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2/S/C(=N/c3ccc(Cl)c(C(=O)[O-])c3)N(C)C2=O)cc(Cl)c1[O-] ZINC000033293892 521952687 /nfs/dbraw/zinc/95/26/87/521952687.db2.gz PWMSXSWCYBZKKR-DKAMTEMQSA-N -2 3 453.303 4.640 10 30 JJEEHL CN1C(=O)/C(=C\c2cc(Br)ccc2[O-])S/C1=N/c1ccc(Cl)c(C(=O)[O-])c1 ZINC000033293893 523674218 /nfs/dbraw/zinc/67/42/18/523674218.db2.gz HIWIMNFNFZSJFK-YUMBOWSGSA-N -2 3 467.728 4.740 10 30 JJEEHL