smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[Si]1(C)C2=CC(=[N+]3CCC3)C=CC2=C(c2cc(C(=O)NCc3ccc(-c4nncnn4)cc3)ccc2C(=O)O)c2ccc(N3CCC3)cc21 2048528813 CPWVRCGDSYQFSV-UHFFFAOYSA-O 666.838 4.395 10 20 KICD C[Si]1(C)C2=CC(=[N+]3CCC3)C=CC2=C(c2cc(C(=O)NCCOCCOCCOCCN=[N+]=[N-])ccc2C(=O)O)c2ccc(N3CCC3)cc21 2048524603 FUJDWZJKTJZMHX-UHFFFAOYSA-O 697.889 4.308 10 20 KICD