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+](C)(C)CC(=O)NCC(=O)NCC[N+]1(C)CCCC1 ZINC000027552717 717114552 /nfs/dbraw/zinc/11/45/52/717114552.db2.gz SIWJXUXSMPKDPA-UHFFFAOYSA-P 2 0 286.420 -0.835 1 30 CBEFRP N#Cc1ccc([C@H]2C[NH2+]CCNCC[NH2+]CCN2)cc1 ZINC000040940611 174436906 /nfs/dbraw/zinc/43/69/06/174436906.db2.gz ZTNUUUYCFHYKLH-OAHLLOKOSA-N 2 0 273.384 -0.029 1 30 CBEFRP