smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCC[C@H]1CC[C@H](CCCC)[NH2+]1 ZINC000001547844 560182119 /nfs/dbraw/zinc/18/21/19/560182119.db2.gz FIXZYWKWWCBXRZ-GJZGRUSLSA-N 1 0 225.420 4.658 1 30 in-vitro BJEFRO C(=[NH+]/C12CC3CC(CC(C3)C1)C2)\C1CCCCC1 ZINC000005566713 166229466 /nfs/dbraw/zinc/22/94/66/166229466.db2.gz CQDPXDKIDCZYNO-LDADJPATSA-N 1 0 245.410 4.606 1 30 BJEFRO