smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)CCN1C[C@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160615268 420524141 /nfs/dbraw/zinc/52/41/41/420524141.db2.gz LNJFMVKFWQMYHA-HUUCEWRRSA-N 1 3 340.468 -0.641 20 70 EBIDHO CN(C)CCN1C[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160615021 420524295 /nfs/dbraw/zinc/52/42/95/420524295.db2.gz LNJFMVKFWQMYHA-CABCVRRESA-N 1 3 340.468 -0.641 20 70 EBIDHO CN(C)CCN1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160615138 420524158 /nfs/dbraw/zinc/52/41/58/420524158.db2.gz LNJFMVKFWQMYHA-GJZGRUSLSA-N 1 3 340.468 -0.641 20 70 EBIDHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1=O ZINC000160615396 264585758 /nfs/dbraw/zinc/58/57/58/264585758.db2.gz LNJFMVKFWQMYHA-LSDHHAIUSA-N 1 3 340.468 -0.641 20 70 EBIDHO