smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)C[NH3+])cc1C2=O ZINC000040873631 205083328 /nfs/dbraw/zinc/08/33/28/205083328.db2.gz BPBFDGSXCLVKHI-UHFFFAOYSA-N 1 1 352.350 0.256 1 10 FCCFMO CN(C)CCc1cn(CC[NH2+]CCO)c2c1C(=O)c1ccncc1C2=O ZINC000071341665 221345482 /nfs/dbraw/zinc/34/54/82/221345482.db2.gz XPHAPLKWLFDFMA-UHFFFAOYSA-N 1 1 356.426 0.345 1 10 FCCFMO