smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC[C@@H](O)C[NH2+]CCCCCCC[NH2+]C[C@@H](O)CN ZINC000013650056 372804969 /nfs/dbraw/zinc/80/49/69/372804969.db2.gz FMUSVMSNYAEIMZ-BETUJISGSA-N 2 3 276.425 -1.245 10 0 CAAEHP NC[C@H](O)C[NH2+]CCCCCCC[NH2+]C[C@@H](O)CN ZINC000013650054 372805389 /nfs/dbraw/zinc/80/53/89/372805389.db2.gz FMUSVMSNYAEIMZ-STQMWFEESA-N 2 3 276.425 -1.245 10 0 CAAEHP NC[C@@H](O)C[NH2+]CCCCCCC[NH2+]C[C@H](O)CN ZINC000013650055 372805397 /nfs/dbraw/zinc/80/53/97/372805397.db2.gz FMUSVMSNYAEIMZ-CHWSQXEVSA-N 2 3 276.425 -1.245 10 0 CAAEHP NC(CC(=O)NCCCC[NH3+])CC(=O)NCCCC[NH3+] ZINC000225811302 373660820 /nfs/dbraw/zinc/66/08/20/373660820.db2.gz XYQNLGJPOJEBCE-UHFFFAOYSA-N 2 3 287.408 -1.196 10 0 CAAEHP