smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=N/NC(=S)NCCN1CCCCC1)/C(C)=N\NC(=S)NCCN1CCCCC1 ZINC000104201286 569843037 /nfs/dbraw/zinc/84/30/37/569843037.db2.gz RFZXOOKXYRDPOR-BOYKQRMESA-N 1 3 454.714 1.638 40 30 JDEBHO CC(=N/NC(=S)NCCN1CCCCC1)/C(C)=N\NC(=S)NCC[NH+]1CCCCC1 ZINC000104201286 569843038 /nfs/dbraw/zinc/84/30/38/569843038.db2.gz RFZXOOKXYRDPOR-BOYKQRMESA-N 1 3 454.714 1.638 40 30 JDEBHO CC(=N\NC(=S)NCCN1CCCCC1)/C(C)=N/NC(=S)NCC[NH+]1CCCCC1 ZINC000101208870 569787182 /nfs/dbraw/zinc/78/71/82/569787182.db2.gz RFZXOOKXYRDPOR-GJHDBBOXSA-N 1 3 454.714 1.638 40 30 JDEBHO