smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Nc1ccc(C[C@H]2C(c3cccnc3)=[NH+][C@H]3CC[C@@H]2C3)cc1 ZINC000096938716 185132855 /nfs/dbraw/zinc/13/28/55/185132855.db2.gz OSXVPYQOIYICJC-FHLIZLRMSA-N 1 2 291.398 3.494 1 10 CGCFLO Cc1[nH+]c(-c2ccc(O)c(O)c2)cc2cc(O)c(O)cc12 ZINC000045299318 175355168 /nfs/dbraw/zinc/35/51/68/175355168.db2.gz CWFMJAJVCKLWBK-UHFFFAOYSA-N 1 2 283.283 3.033 1 10 CGCFLO Nc1ccc(C[C@@H]2C(c3cccnc3)=[NH+][C@H]3CC[C@@H]2C3)cc1 ZINC000096938715 185132899 /nfs/dbraw/zinc/13/28/99/185132899.db2.gz OSXVPYQOIYICJC-JLSDUUJJSA-N 1 2 291.398 3.494 1 10 CGCFLO