smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000005340684 570557831 /nfs/dbraw/zinc/55/78/31/570557831.db2.gz QSLLXAPBZQBHOX-SFHVURJKSA-N 2 0 375.517 0.684 50 10 GCCARP CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000005340688 570557717 /nfs/dbraw/zinc/55/77/17/570557717.db2.gz QSLLXAPBZQBHOX-GOSISDBHSA-N 2 0 375.517 0.684 50 10 GCCARP