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@H+]1CCCC12CCN(Cc1ccccc1[N+](=O)[O-])CC2 ZINC000253417626 383457701 /nfs/dbraw/zinc/45/77/01/383457701.db2.gz NIKVLMFNLQIMOE-UHFFFAOYSA-N 2 1 289.379 2.655 50 5 CFBAMP CC1(C)CC([NH2+]Cc2cccc([N+](=O)[O-])c2)CC(C)(C)[NH2+]1 ZINC000000032735 371512655 /nfs/dbraw/zinc/51/26/55/371512655.db2.gz VHNDDXVXKFYRGU-UHFFFAOYSA-N 2 1 291.395 2.994 50 5 CFBAMP C[NH+](C)CCC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000056525385 175584903 /nfs/dbraw/zinc/58/49/03/175584903.db2.gz IITNNESYRYEPDE-UHFFFAOYSA-N 2 1 297.424 2.820 50 5 CFBAMP Cc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000093088849 375184960 /nfs/dbraw/zinc/18/49/60/375184960.db2.gz KMGMHXCOXZZZSX-UHFFFAOYSA-N 2 1 291.395 2.677 50 5 CFBAMP