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]([NH+]2CCOCC2)C1 ZINC000216673809 376571118 /nfs/dbraw/zinc/57/11/18/376571118.db2.gz QPYRLNIEUSVSAR-HUUCEWRRSA-N 1 2 305.378 -0.082 40 70 DBIBLO CNS(=O)(=O)c1cc(C(N)=O)ccc1N1CC[NH+](C)CC1 ZINC000216789068 290788240 /nfs/dbraw/zinc/78/82/40/290788240.db2.gz GRCFTAYBFFQRPA-UHFFFAOYSA-N 1 2 312.395 -0.555 40 70 DBIBLO COc1ccc(C(N)=O)cc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000216782830 376573104 /nfs/dbraw/zinc/57/31/04/376573104.db2.gz OGRGBBLCSBXDGA-UHFFFAOYSA-N 1 2 313.379 -0.270 40 70 DBIBLO