smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features c1ccc2c(c1)c1c(c3ccccc32)O1 13520811 MNDKYWLUKLXTOS-UHFFFAOYSA-N 192.217 4.099 5 10 AIBE in-vitro Fc1cccc2c1ccc1ccccc12 82044523 CNWURRWLFUQFDT-UHFFFAOYSA-N 196.224 4.132 5 10 AIBE Fc1cccc2ccc3ccccc3c12 142044844 UOXGQCABTNEVPI-UHFFFAOYSA-N 196.224 4.132 5 10 AIBE