smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Oc1ccc(C[C@H]2BBBBBBBBBBC2)cc1 195812742 LIUNAMPCSLQCED-MRVPVSSYSA-N 252.378 -4.245 70 40 CAIB Cn1c(N)c(S(=O)(=O)Cl)c(=O)n(C)c1=O 100160458 RRPBSQISNAFDDX-UHFFFAOYSA-N 253.667 -1.406 70 40 CAIB Cn1c(=O)c2c(ncn2CCS(=O)(=O)F)n(C)c1=O 100563064 AVLREITXGMHJPE-UHFFFAOYSA-N 290.276 -1.267 70 40 CAIB Oc1ccc(C[C@@H]2BBBBBBBBBBC2)cc1 195812743 LIUNAMPCSLQCED-QMMMGPOBSA-N 252.378 -4.245 70 40 CAIB