smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]1C[NH3+] ZINC000160143270 188047780 /nfs/dbraw/zinc/04/77/80/188047780.db2.gz AWXKBNJUTPEDEM-JTQLQIEISA-N 2 1 213.325 0.276 10 70 BCIEMP CC[N@@H+](CCNC1CC[NH2+]CC1)C1CC1 ZINC000217502604 134248793 /nfs/dbraw/zinc/24/87/93/134248793.db2.gz ITTPPEPBLSIVOM-UHFFFAOYSA-N 2 1 211.353 0.812 10 70 BCIEMP