smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H](CCc1ccc2c(c1)c(N)c1ccc(N)cc1[n+]2O)CC(C)(C)C ZINC000005463169 204210841 /nfs/dbraw/zinc/21/08/41/204210841.db2.gz ODIOSANOAXDMJQ-AWEZNQCLSA-N 1 2 351.494 4.796 1 10 FJCFLO COc1cccc(C(=O)Nc2c3ccccc3[nH+]c3ccccc32)c1OC ZINC000005550408 207105519 /nfs/dbraw/zinc/10/55/19/207105519.db2.gz IWITURRCIJODSI-UHFFFAOYSA-N 1 2 358.397 4.658 1 10 FJCFLO C[C@H](CCc1ccc2c(c1)c(N)c1ccc(N)cc1[n+]2O)CC(C)(C)C ZINC000017130454 220207241 /nfs/dbraw/zinc/20/72/41/220207241.db2.gz ODIOSANOAXDMJQ-CQSZACIVSA-N 1 2 351.494 4.796 1 10 FJCFLO