smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)C=C(C(=O)NCCC[NH2+]Cc2ccccc2[O-])C(C)(C)[NH2+]1 ZINC000040466292 213308871 /nfs/dbraw/zinc/30/88/71/213308871.db2.gz TXOPBDAHVJHDEN-UHFFFAOYSA-N 1 3 331.460 2.075 1 10 EECFHO COc1cc(C(=O)NCC[NH+](C)C)c2nc3ccccc3c(N)c2c1 ZINC000027525963 212561971 /nfs/dbraw/zinc/56/19/71/212561971.db2.gz VZKXVQWVLAQACG-UHFFFAOYSA-N 1 3 338.411 2.270 1 10 EECFHO