smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C[NH2+][C@@H]2CCC[C@H]3[N@H+](C)[C@@H](c4ccccc4)C[C@@]3(C)[C@H]2O)ccc1OCCN(C)C ZINC000257270844 570129924 /nfs/dbraw/zinc/12/99/24/570129924.db2.gz MVWJDUMZROBZJS-UEKYOSKPSA-N 2 3 481.681 4.090 40 0 JIABHP COc1cc(C[NH2+][C@@H]2CCC[C@H]3[N@@H+](C)[C@@H](c4ccccc4)C[C@@]3(C)[C@H]2O)ccc1OCCN(C)C ZINC000257270844 570129926 /nfs/dbraw/zinc/12/99/26/570129926.db2.gz MVWJDUMZROBZJS-UEKYOSKPSA-N 2 3 481.681 4.090 40 0 JIABHP