smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(F)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164913459 721738456 /nfs/dbraw/zinc/73/84/56/721738456.db2.gz VXOQGGNYEASWPT-SFHVURJKSA-N 1 2 426.464 2.873 20 70 IFIDLO O=S(=O)(F)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164913459 721738459 /nfs/dbraw/zinc/73/84/59/721738459.db2.gz VXOQGGNYEASWPT-SFHVURJKSA-N 1 2 426.464 2.873 20 70 IFIDLO O=S(=O)(F)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@H+](Cc4ccccn4)C3)C2)c1 ZINC001164913457 721737970 /nfs/dbraw/zinc/73/79/70/721737970.db2.gz VXOQGGNYEASWPT-GOSISDBHSA-N 1 2 426.464 2.873 20 70 IFIDLO O=S(=O)(F)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1 ZINC001164913457 721737972 /nfs/dbraw/zinc/73/79/72/721737972.db2.gz VXOQGGNYEASWPT-GOSISDBHSA-N 1 2 426.464 2.873 20 70 IFIDLO