smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NCCNCc1ccc(O)c(CNCCN)c1CNCCN 33611494 AXCKGFZSFFLPCP-UHFFFAOYSA-N 310.446 -1.463 10 30 DACC NCCNCCNCc1cccc(O)c1CNCCNCCN 33611229 XYCHOUSTRNPKQN-UHFFFAOYSA-N 324.473 -1.332 10 30 DACC CCN(CC)CCOC(=O)C1C(=O)C(=O)C(N=O)C(=O)C1=O 604934919 WMZQFJHCUUKULK-UHFFFAOYSA-N 312.278 -1.087 10 30 DACC