smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CC[C@@H](C)N1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000023339517 518589930 /nfs/dbraw/zinc/58/99/30/518589930.db2.gz YOPKSOBTIYZVAH-JOCHJYFZSA-N 1 3 411.634 4.267 10 30 HIEEHO C=C(C)CC[C@H](C)N1CCC([NH+]2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000023339515 518588828 /nfs/dbraw/zinc/58/88/28/518588828.db2.gz YOPKSOBTIYZVAH-QFIPXVFZSA-N 1 3 411.634 4.267 10 30 HIEEHO