smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(S(=O)(=O)[N-]CCC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cn1C ZINC000159723708 243201945 /nfs/dbraw/zinc/20/19/45/243201945.db2.gz DDWULGCDBBNMGK-BETUJISGSA-N -1 3 355.464 -0.250 20 70 FBIDHM CC(C)CN(CC(N)=O)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000159772736 484157852 /nfs/dbraw/zinc/15/78/52/484157852.db2.gz ZQNDMEWBHDHAKU-UHFFFAOYSA-N -1 3 361.196 -0.731 20 70 FBIDHM CC(C)CN1CCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000160292181 243200716 /nfs/dbraw/zinc/20/07/16/243200716.db2.gz DOWLRFVGTUNKEO-GFCCVEGCSA-N -1 3 358.464 -0.517 20 70 FBIDHM