smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CS/C(=C/C=C(C)C)[NH+]=C(C)C ZINC000035110799 171058302 /nfs/dbraw/zinc/05/83/02/171058302.db2.gz VCBULQSCXFBVPD-JXMROGBWSA-N 1 2 183.320 3.638 10 30 AHEELO CC[PH+](C#Cc1ccccc1)CC ZINC000584602542 346721576 /nfs/dbraw/zinc/72/15/76/346721576.db2.gz ZIJFOYGMFTZMNF-UHFFFAOYSA-N 1 2 190.226 3.517 10 30 AHEELO