smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc(=O)c2c(C)cccc2o1 217597895 ZFEJELGWRRIYKX-UHFFFAOYSA-N 190.198 2.110 70 1 AEIF O=S(=O)(F)/C=C/c1ccsc1 1857541018 RFEFHKBWSYRAJM-DUXPYHPUSA-N 192.236 2.018 70 1 AEIF CN(C)/C(F)=P\C(F)(F)F 73257932 JAFKXNNBVUDANZ-UHFFFAOYSA-N 175.065 2.071 70 1 AEIF