smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NNC(=O)C(=O)[O-])C2)CC1 ZINC001598586161 993385831 /nfs/dbraw/zinc/38/58/31/993385831.db2.gz POGUVEVCQLUOKJ-VIFPVBQESA-N 1 2 313.358 -1.430 20 50 DAGDLO C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NNC(=O)C(=O)[O-])C2)CC1 ZINC001598586161 993385836 /nfs/dbraw/zinc/38/58/36/993385836.db2.gz POGUVEVCQLUOKJ-VIFPVBQESA-N 1 2 313.358 -1.430 20 50 DAGDLO C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NNC(=O)C(=O)[O-])C2)CC1 ZINC001598586160 993385445 /nfs/dbraw/zinc/38/54/45/993385445.db2.gz POGUVEVCQLUOKJ-SECBINFHSA-N 1 2 313.358 -1.430 20 50 DAGDLO C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NNC(=O)C(=O)[O-])C2)CC1 ZINC001598586160 993385449 /nfs/dbraw/zinc/38/54/49/993385449.db2.gz POGUVEVCQLUOKJ-SECBINFHSA-N 1 2 313.358 -1.430 20 50 DAGDLO