smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CNC(=O)c1cc(S(=O)(=O)NCCCN2CCN(C)CC2)ccc1OC 216949670 OGIGGVSPZDGJCZ-UHFFFAOYSA-N 384.502 -0.029 70 40 GBIB Cn1c(N)c(C(=O)CN2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)c(=O)n(C)c1=O 217567758 VUVBECACOAHFAU-NWDGAFQWSA-N 385.424 -0.870 70 40 GBIB CS(=O)(=O)N(CC(=O)NCCN1CCOCC1)c1ccc2c(c1)OCCO2 218433663 XRVFTNXQBUJDPY-UHFFFAOYSA-N 399.469 -0.328 70 40 GBIB CN1CCN(S(=O)(=O)c2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)CC1 216866721 HKIOKZJOINACPP-UHFFFAOYSA-N 394.497 -0.040 70 40 GBIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCCN3CCOCC3)[C@H]4C2=O)no1 217701694 DRLWPJFKCONNJD-RGPZOAQRSA-N 388.424 -0.282 70 40 GBIB Cc1cc(N2C[C@]34C=C[C@@H](O3)[C@H](C(=O)NCCN3CCOCC3)[C@H]4C2=O)no1 217701784 DRLWPJFKCONNJD-UEABVUSTSA-N 388.424 -0.282 70 40 GBIB CNS(=O)(=O)c1cc(C(=O)N2CCOCC2)ccc1N1CCN(C)CC1 216792125 NHKXKCXQDIZHTL-UHFFFAOYSA-N 382.486 -0.181 70 40 GBIB