smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc2cccnc2c(N[C@H](C)CCCNC(=[NH2+])NC(=[NH2+])NC(C)C)c1 ZINC000001685366 212254654 /nfs/dbraw/zinc/25/46/54/212254654.db2.gz GKJDCXZGSBRDLQ-CQSZACIVSA-N 2 0 385.516 2.451 40 30 GEEBRP