smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OC2CCOCC2)cc1 ZINC000161142610 564118009 /nfs/dbraw/zinc/11/80/09/564118009.db2.gz BSDGIYBDHXKABB-WDSOQIARSA-N 2 0 346.515 3.768 50 70 EHIARP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(OC2CCOCC2)cc1 ZINC000161142374 564118006 /nfs/dbraw/zinc/11/80/06/564118006.db2.gz BSDGIYBDHXKABB-UHOSZYNNSA-N 2 0 346.515 3.768 50 70 EHIARP Cc1cc(CN2CC[N@H+](C)[C@@H](C)C2)c(C)c(C[NH+]2CCC(C)CC2)c1 ZINC000217657697 241268230 /nfs/dbraw/zinc/26/82/30/241268230.db2.gz ZMIRHZXAXZAZEX-IBGZPJMESA-N 2 0 343.559 3.671 50 70 EHIARP