smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccc(C(=O)NCCN2CCOCC2)cc1S(=O)(=O)N1CCN(C)CC1 216857646 JYQDXADDTTVNQS-UHFFFAOYSA-N 410.540 -0.007 70 40 HBIB Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1 216843434 FXJLMPLGDWXULI-UHFFFAOYSA-N 407.452 -0.440 70 40 HBIB O=C(O)c1cccc(S(=O)(=O)N(CCS(=O)(=O)F)CCS(=O)(=O)F)c1 96022765 ZOCJOWWQCGDFPY-UHFFFAOYSA-N 421.421 -0.026 70 40 HBIB Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NCCN1CCOCC1 216863800 MLUZSAHLKMHHGE-UHFFFAOYSA-N 410.540 -0.007 70 40 HBIB CN1CCN(S(=O)(=O)Cc2ccc(C(=O)NCCN3CCOCC3)cc2)CC1 216886390 PQWIENYQOOGGJM-UHFFFAOYSA-N 410.540 -0.174 70 40 HBIB CN1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1 216867721 RMLSGSBRQJTIQA-UHFFFAOYSA-N 423.583 -0.010 70 40 HBIB