smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc(O)c3)cc2F)CC1 ZINC000078604288 202396924 /nfs/dbraw/zinc/39/69/24/202396924.db2.gz BSZQIDLUKIHRPR-UHFFFAOYSA-N 2 0 343.446 2.963 40 10 EFCBRP CN1c2ccccc2O/C1=C\c1cc[n+](CCC[N+](C)(C)C)cc1 ZINC000034645974 471990618 /nfs/dbraw/zinc/99/06/18/471990618.db2.gz VXLBFMWXLNAYSZ-UHFFFAOYSA-N 2 0 325.456 2.898 40 10 EFCBRP CC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1O ZINC000186135530 473597296 /nfs/dbraw/zinc/59/72/96/473597296.db2.gz CPADQLAYVVIMJV-SFHVURJKSA-N 2 0 340.471 2.780 40 10 EFCBRP COc1ccc2[nH+]c3ccccc3c(NCC[NH2+]C[C@H](C)O)c2c1 ZINC000004428779 210192260 /nfs/dbraw/zinc/19/22/60/210192260.db2.gz HTYURTLQTGVNJH-ZDUSSCGKSA-N 2 0 325.412 2.779 40 10 EFCBRP COc1ccc2[nH+]c3ccccc3c(NCC[NH2+]C[C@@H](C)O)c2c1 ZINC000006491833 471547021 /nfs/dbraw/zinc/54/70/21/471547021.db2.gz HTYURTLQTGVNJH-CYBMUJFWSA-N 2 0 325.412 2.779 40 10 EFCBRP CC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1O ZINC000186135547 473597415 /nfs/dbraw/zinc/59/74/15/473597415.db2.gz CPADQLAYVVIMJV-GOSISDBHSA-N 2 0 340.471 2.780 40 10 EFCBRP