smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCC[N@@H+](C)CC3)[NH+](Cc3ccccc3O)C2)n1 ZINC000011881572 555849978 /nfs/dbraw/zinc/84/99/78/555849978.db2.gz FNCHSYAWOLRCHC-RTWAWAEBSA-N 2 0 455.628 2.698 50 10 JFCARP CN1CCC([NH2+]Cc2cc(I)cc(I)c2[O-])CC1 ZINC000253401024 570096619 /nfs/dbraw/zinc/09/66/19/570096619.db2.gz PVRCXOUBDWVGGZ-UHFFFAOYSA-N 2 0 472.108 2.785 50 10 JFCARP