smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@@H]1CC=C[C@@H](c2ccccc2)[N@@H+]1Cc1c[nH+]c(C)[nH]1 ZINC000055370913 519108706 /nfs/dbraw/zinc/10/87/06/519108706.db2.gz UKZHVLJEIKUAGZ-MOPGFXCFSA-N 2 2 293.414 4.166 50 30 CIEALP C=CC[C@@H]1CC=C[C@@H](c2ccccc2)[N@H+]1Cc1c[nH+]c(C)[nH]1 ZINC000055370913 519108711 /nfs/dbraw/zinc/10/87/11/519108711.db2.gz UKZHVLJEIKUAGZ-MOPGFXCFSA-N 2 2 293.414 4.166 50 30 CIEALP Cc1ccccc1C(=[NH+]CCC[NH+](C)C)c1ccccc1C ZINC000004655769 570246882 /nfs/dbraw/zinc/24/68/82/570246882.db2.gz ZZZSDDPSKYQOIU-UHFFFAOYSA-N 2 2 294.442 4.093 50 30 CIEALP