smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCSc1nsc(SCS/C(=N/C#N)SC)n1 ZINC000015441937 563784699 /nfs/dbraw/zinc/78/46/99/563784699.db2.gz IMMLUQGZCUQXFU-DHZHZOJOSA-N 0 0 334.542 3.799 30 30 EHECRN CS/C(=N\C#N)Sc1ccc(I)cc1 ZINC000015443509 563784726 /nfs/dbraw/zinc/78/47/26/563784726.db2.gz MXXUDMJIAACKKU-FMIVXFBMSA-N 0 0 334.207 3.583 30 30 EHECRN