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)C[C@@]1(c2ccccc2)CC[N+](C)(C)C1 ZINC000001717939 383929101 /nfs/dbraw/zinc/92/91/01/383929101.db2.gz FXEBVCSNTLJJLO-HNNXBMFYSA-N 1 3 233.379 1.966 40 5 BDBBHO CN(C)C[C@]1(c2ccccc2)CC[N+](C)(C)C1 ZINC000004962470 384091473 /nfs/dbraw/zinc/09/14/73/384091473.db2.gz FXEBVCSNTLJJLO-OAHLLOKOSA-N 1 3 233.379 1.966 40 5 BDBBHO [NH3+][C@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])CC1 ZINC000255189633 388676829 /nfs/dbraw/zinc/67/68/29/388676829.db2.gz RFBCQPCYUKMYMY-HAQNSBGRSA-N 1 3 249.314 1.954 40 5 BDBBHO [NH3+][C@H]1CC[C@H](NCc2ccccc2[N+](=O)[O-])CC1 ZINC000100809892 384653977 /nfs/dbraw/zinc/65/39/77/384653977.db2.gz RFBCQPCYUKMYMY-TXEJJXNPSA-N 1 3 249.314 1.954 40 5 BDBBHO