smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CC[NH+](CCNC(=O)C(=O)N(CC[NH3+])CCO)CC2)cc1 ZINC000842151173 1073887443 /nfs/dbraw/zinc/88/74/43/1073887443.db2.gz ANUGGFZUUZTHOY-UHFFFAOYSA-N 2 2 393.488 -1.287 20 10 GACDLP