smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCc1cccnc1)N1C[C@@H](O)[C@H](N2CCOCC2)C1 ZINC000216673809 376571113 /nfs/dbraw/zinc/57/11/13/376571113.db2.gz QPYRLNIEUSVSAR-HUUCEWRRSA-N 0 0 305.378 -0.082 40 70 DBIBRN CNS(=O)(=O)c1cc(C(N)=O)ccc1N1CCN(C)CC1 ZINC000216789068 290788230 /nfs/dbraw/zinc/78/82/30/290788230.db2.gz GRCFTAYBFFQRPA-UHFFFAOYSA-N 0 0 312.395 -0.555 40 70 DBIBRN COc1ccc(C(N)=O)cc1S(=O)(=O)N1CCN(C)CC1 ZINC000216782830 376573087 /nfs/dbraw/zinc/57/30/87/376573087.db2.gz OGRGBBLCSBXDGA-UHFFFAOYSA-N 0 0 313.379 -0.270 40 70 DBIBRN