smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+]1CCN(c2nc(NCCC[NH+]3CCOCC3)nc(N)c2[N+](=O)[O-])CC1 ZINC000020357658 210329510 /nfs/dbraw/zinc/32/95/10/210329510.db2.gz XXBKDBDQZFVTIU-UHFFFAOYSA-N 2 2 394.480 0.243 50 5 GCBALP C[NH+]1CCN(C(=O)c2cc(C(=O)N3CC[NH+](C)CC3)cc([N+](=O)[O-])c2)CC1 ZINC000020130796 210317881 /nfs/dbraw/zinc/31/78/81/210317881.db2.gz HOQGAIOJBNRKHP-UHFFFAOYSA-N 2 2 375.429 0.370 50 5 GCBALP