smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(CBr)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O 220145830 PXFSSISNLVSUTA-UHFFFAOYSA-N 659.524 -0.372 50 20 KBGD COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(=O)[C@@H]1CCCN1[C@H](C(=O)CCl)C(C)C 642813655 JHYWURAMDHJDFV-XLPNERPQSA-N 502.996 -0.111 50 20 KBGD NNC(=O)CCOCCOCCOCCOCCNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@H]21 230032973 PSBJJOWIACLJAQ-MBOZVWFJSA-N 505.638 -0.725 50 20 KBGD