smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CN1CCN(C(=O)CN(c2ccc3c(c2)OCCO3)S(C)(=O)=O)CC1 216942131 HXBONVZWSJKAHS-UHFFFAOYSA-N 369.443 -0.002 70 40 FBIB Cn1cc(S(=O)(=O)N2CCCN(C(=O)c3cn(C)nn3)CC2)cn1 217969269 WYZYPUBYUHQMOG-UHFFFAOYSA-N 353.408 -0.915 70 40 FBIB N[C@H](CCS(=O)(=O)NCc1ccc(S(=O)(=O)F)cc1)C(=O)O 104193883 LYGNYXLBCRSFFX-SNVBAGLBSA-N 354.381 -0.434 70 40 FBIB CSCC[C@@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[nH]n2c1=O 218491525 PCXMXUHPEFMFAP-JTQLQIEISA-N 354.432 -0.213 70 40 FBIB O=C(c1ccc(=O)[nH]n1)N1CCN(c2cc(-n3cncn3)ncn2)CC1 218630113 OOMSSGHLHMBUHA-UHFFFAOYSA-N 353.346 -0.897 70 40 FBIB N[C@@H](CCS(=O)(=O)NCc1ccc(S(=O)(=O)F)cc1)C(=O)O 104193879 LYGNYXLBCRSFFX-JTQLQIEISA-N 354.381 -0.434 70 40 FBIB