smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(C)CCN(C(=O)CCCCC(=O)N2CC[N+](C)(C)CC2)CC1 ZINC000029464974 717119455 /nfs/dbraw/zinc/11/94/55/717119455.db2.gz GUGOPIKONLZVBJ-UHFFFAOYSA-N 2 0 340.512 0.384 1 5 ECBFRP [NH3+]CCNc1c2cccc3c2c(cc1[N+](=O)[O-])C(=O)N(CC[NH3+])C3=O ZINC000040833989 213391681 /nfs/dbraw/zinc/39/16/81/213391681.db2.gz NTBAUICMVSVDEZ-UHFFFAOYSA-N 2 0 343.343 0.673 1 5 ECBFRP