smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(N2CCN(Cc3nnc([C@H]4C[C@@H]([NH3+])C4)n3C)CC2)nc(N)[nH+]1 ZINC000218663988 132273158 /nfs/dbraw/zinc/27/31/58/132273158.db2.gz RZEBGPVXHQLQNR-JOCQHMNTSA-N 2 0 357.466 0.023 50 70 FCIARP CN(C)Cc1cc2n(n1)CCN(c1nccc(N3CCC[C@@H](O)C3)n1)C2 ZINC000216682053 488441605 /nfs/dbraw/zinc/44/16/05/488441605.db2.gz MSZDXGRFFHVACF-MRXNPFEDSA-N 2 0 357.462 0.716 50 70 FCIARP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc(C3CC(O)C3)[nH+]c(N)n2)CC1 ZINC000218568572 132273336 /nfs/dbraw/zinc/27/33/36/132273336.db2.gz RHVFLOCLBUECSU-UHFFFAOYSA-N 2 0 374.489 0.607 50 70 FCIARP