smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cc(C)cc(C)c1 ZINC000035421913 558791522 /nfs/dbraw/zinc/79/15/22/558791522.db2.gz WCACYQHNAGAOFC-NRFANRHFSA-N 2 1 400.567 2.052 10 0 HEAEMP CC[N@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cc(C)cc(C)c1 ZINC000035421912 558791574 /nfs/dbraw/zinc/79/15/74/558791574.db2.gz WCACYQHNAGAOFC-OAQYLSRUSA-N 2 1 400.567 2.052 10 0 HEAEMP CC(=O)N(CC[NH+](C)C)Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1 ZINC000036312209 569132764 /nfs/dbraw/zinc/13/27/64/569132764.db2.gz JRUDFLHIOFEDCQ-UHFFFAOYSA-N 2 1 403.502 2.143 10 0 HEAEMP