smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features c1ccc(N=Nc2ccc3cccccc2-3)cc1 252602451 FILMYAMPKWRDQD-UHFFFAOYSA-N 232.286 5.207 10 3 BKCF c1ccc(/N=N/c2ccc3cccccc2-3)cc1 97971496 FILMYAMPKWRDQD-ISLYRVAYSA-N 232.286 5.207 10 1 BKCF c1ccc(/N=N\c2ccc3cccccc2-3)cc1 18101416 FILMYAMPKWRDQD-ZCXUNETKSA-N 232.286 5.207 10 1 BKCF