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)NCCN2CCOCC2)N(C)C)cc1 ZINC000022998778 570777783 /nfs/dbraw/zinc/77/77/83/570777783.db2.gz NWRTVGDPTNPTMA-SFHVURJKSA-N 0 3 391.516 -0.080 50 10 GBCAHN CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCN2CCOCC2)N(C)C)cc1 ZINC000022998780 570777757 /nfs/dbraw/zinc/77/77/57/570777757.db2.gz NWRTVGDPTNPTMA-GOSISDBHSA-N 0 3 391.516 -0.080 50 10 GBCAHN