smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CCCCC2=NNC(=O)C[N+](C)(C)C)C1 ZINC000794457587 717190394 /nfs/dbraw/zinc/19/03/94/717190394.db2.gz SPYSWNHXKFFOHS-UXLLHSPISA-O 2 0 323.505 2.085 20 50 DEGDRP C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2CCCCC2=NNC(=O)C[N+](C)(C)C)C1 ZINC000794457578 717190368 /nfs/dbraw/zinc/19/03/68/717190368.db2.gz SPYSWNHXKFFOHS-BFYDXBDKSA-O 2 0 323.505 2.085 20 50 DEGDRP C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CCCCC2=NNC(=O)C[N+](C)(C)C)C1 ZINC000794457584 717190530 /nfs/dbraw/zinc/19/05/30/717190530.db2.gz SPYSWNHXKFFOHS-INMHGKMJSA-O 2 0 323.505 2.085 20 50 DEGDRP C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2CCCCC2=NNC(=O)C[N+](C)(C)C)C1 ZINC000794457581 717190298 /nfs/dbraw/zinc/19/02/98/717190298.db2.gz SPYSWNHXKFFOHS-HLLBOEOZSA-O 2 0 323.505 2.085 20 50 DEGDRP