smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCCCCC[C@](C)(CC)CCl 85044262 PJJXYIJELXROFL-NSHDSACASA-N 190.758 4.612 50 20 AJGD CCCCCCC[C@@H](CC)CCl 116399324 WDYURHSZPBJHSA-LLVKDONJSA-N 190.758 4.612 50 20 AJGD CCCCC[C@@](C)(CCl)CCC 85043633 QBMYXJJYSHBISV-NSHDSACASA-N 190.758 4.612 50 20 AJGD CCCCCCCC[C@@H](C)CCl 78456058 FNCYSQFDCZDQDD-LLVKDONJSA-N 190.758 4.612 50 20 AJGD CCCCCCC[C@H](CC)CCl 116399327 WDYURHSZPBJHSA-NSHDSACASA-N 190.758 4.612 50 20 AJGD CCCCCC[C@@](C)(CC)CCl 85044261 PJJXYIJELXROFL-LLVKDONJSA-N 190.758 4.612 50 20 AJGD CCCCCCCC[C@H](C)CCl 78456062 FNCYSQFDCZDQDD-NSHDSACASA-N 190.758 4.612 50 20 AJGD CCCCC[C@](C)(CCl)CCC 85043632 QBMYXJJYSHBISV-LLVKDONJSA-N 190.758 4.612 50 20 AJGD