smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC1CC[NH+](C2CCNCC2)CC1 ZINC000016124116 384452517 /nfs/dbraw/zinc/45/25/17/384452517.db2.gz MLVPRIFEJJPBCE-UHFFFAOYSA-N 2 3 225.380 1.012 50 0 BDAAHP [NH3+]CCCCN(CCC[NH3+])Cc1ccccc1 ZINC000001650373 181376615 /nfs/dbraw/zinc/37/66/15/181376615.db2.gz BFURQINQUKOEFD-UHFFFAOYSA-N 2 3 235.375 1.576 50 0 BDAAHP