smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000069704237 362993559 /nfs/dbraw/zinc/99/35/59/362993559.db2.gz PATWIURVXUBLJG-UHFFFAOYSA-N 2 0 291.395 2.411 50 5 CEBARP C[N+](C)(C)[C@H]1[C@@H]2CC[C@H]3[C@H]2[C@H]2[C@@H]1CC[C@@H]2[C@H]3[N+](C)(C)C ZINC000257356189 328758230 /nfs/dbraw/zinc/75/82/30/328758230.db2.gz GRVSLICFPDXWRA-AEJWVRLDSA-N 2 0 278.484 2.448 50 5 CEBARP C[N+](C)(C)[C@H]1[C@@H]2CC[C@@H]3C2C2[C@@H]1CC[C@@H]2[C@H]3[N+](C)(C)C ZINC000257356190 328758224 /nfs/dbraw/zinc/75/82/24/328758224.db2.gz GRVSLICFPDXWRA-BXSOIUCOSA-N 2 0 278.484 2.448 50 5 CEBARP C[N+](C)(C)C1[C@@H]2CC[C@@H]3C2C2[C@H]1CC[C@H]2C3[N+](C)(C)C ZINC000257356191 371614692 /nfs/dbraw/zinc/61/46/92/371614692.db2.gz GRVSLICFPDXWRA-HEVBAVJNSA-N 2 0 278.484 2.448 50 5 CEBARP C[N+](C)(C)[C@H]1[C@@H]2CC[C@H]3[C@H]([N+](C)(C)C)[C@H]4CC[C@@H]1[C@H]4[C@H]23 ZINC000257356192 328758234 /nfs/dbraw/zinc/75/82/34/328758234.db2.gz GRVSLICFPDXWRA-MKIGVWGGSA-N 2 0 278.484 2.448 50 5 CEBARP