smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCCC(=O)CCCCCC/C=C/C=C/C(=O)NCC(C)C 217835389 JRGUHFYJVNNNIQ-IZAPIVEJSA-N 349.559 5.751 70 1 EKIF Nc1ncc(-c2ccc3[nH]cc(-c4cnc5ccccc5c4)c3c2)s1 218106486 ZTWXZFSVBMVSQW-UHFFFAOYSA-N 342.427 5.089 70 1 EKIF CCCCCCCCCCCCCCCCCCS(=O)(=O)F 36079962 SZXIBISKCHYMAR-UHFFFAOYSA-N 336.557 6.547 70 1 EKIF