smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc2c(c1)[nH+]c1c3ccccc3nc(CC[NH+]3CCCCC3)n21 ZINC000031848107 202211142 /nfs/dbraw/zinc/21/11/42/202211142.db2.gz LZXQJYFWTDKEHR-UHFFFAOYSA-N 2 2 330.435 4.064 1 5 EIBFLP Cn1c2ccccc2c2c1c1cc(Cl)ccc1[nH+]c2NCCC[NH3+] ZINC000169309480 534712529 /nfs/dbraw/zinc/71/25/29/534712529.db2.gz CYVNWCPOSQMYTQ-UHFFFAOYSA-N 2 2 338.842 4.294 1 5 EIBFLP C[N@@H+]1CCCN(c2[nH+]c3ccccc3c3[nH]c4ccccc4c32)CC1 ZINC000169309442 530054134 /nfs/dbraw/zinc/05/41/34/530054134.db2.gz SGLNANGHWZNPDM-UHFFFAOYSA-N 2 2 330.435 4.011 1 5 EIBFLP C[N@H+]1CCCN(c2[nH+]c3ccccc3c3[nH]c4ccccc4c32)CC1 ZINC000169309442 530054135 /nfs/dbraw/zinc/05/41/35/530054135.db2.gz SGLNANGHWZNPDM-UHFFFAOYSA-N 2 2 330.435 4.011 1 5 EIBFLP