smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCC1=C(C)CN(C(=O)NCCc2ccc(S(=O)(=O)Cl)cc2)C1=O 200008559 KEFLFSMLSAEGQB-UHFFFAOYSA-N 370.858 2.435 70 30 FEIC in-vitro CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@H](CS(=O)(=O)Cl)C2 685950621 VCLFGTRGIXPXJU-NSHDSACASA-N 353.868 2.361 70 30 FEIC Cc1cc(S(=O)(=O)Cl)cc(C(=O)O)c1I 59221997 VCAAZSBGEXSXEP-UHFFFAOYSA-N 360.556 2.225 70 30 FEIC COC(=O)c1cc(S(=O)(=O)Cl)ccc1I 59261908 YZSOCOKTNYPOFU-UHFFFAOYSA-N 360.556 2.005 70 30 FEIC in-vitro COC(=O)c1cc(S(=O)(=O)Cl)cc(C)c1I 59262026 ABEVDNPEUQBORD-UHFFFAOYSA-N 374.583 2.314 70 30 FEIC COc1cc(N2C(=O)c3ccccc3C2=O)ccc1S(=O)(=O)Cl 263584670 YSULTKLYYZOGIB-UHFFFAOYSA-N 351.767 2.423 70 30 FEIC CC(C)(C)OC(=O)N1CCC2(CC1)CO[C@@H](CS(=O)(=O)Cl)C2 685950611 VCLFGTRGIXPXJU-LLVKDONJSA-N 353.868 2.361 70 30 FEIC