smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C[C@H]1CCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000160396141 488128137 /nfs/dbraw/zinc/12/81/37/488128137.db2.gz XKOTUQQWXKNSEC-SECBINFHSA-N 2 2 240.307 -1.632 20 70 BAIDLP