smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N@H+](CCN(CC[N+](C)(C)C)CC[N+](C)(C)C)C1CCCCCCCCCCC1 ZINC000028249157 717115654 /nfs/dbraw/zinc/11/56/54/717115654.db2.gz NYKRIDBUJZVQSB-UHFFFAOYSA-N 3 0 412.751 4.306 1 5 HIBFRP C[N+](C)(C)Cc1c2ccccc2n2c1Cn1c3ccccc3c(C[N+](C)(C)C)c1C2 ZINC000035937477 717125273 /nfs/dbraw/zinc/12/52/73/717125273.db2.gz FZELPPCFOJWTQA-UHFFFAOYSA-N 2 0 402.586 4.418 1 5 HIBFRP CCCNC(=O)OC(CC1CC[N+]2(CCCC2)CC1)CC1CC[N+]2(CCCC2)CC1 ZINC000028825000 717116382 /nfs/dbraw/zinc/11/63/82/717116382.db2.gz CTDVOCIHRNUMAB-UHFFFAOYSA-O 2 0 421.670 4.313 1 5 HIBFRP