smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)/C=[NH+]/c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O ZINC000005957173 181300558 /nfs/dbraw/zinc/30/05/58/181300558.db2.gz ALIMWRMSWXTSDB-SHILPKQESA-N 1 1 322.325 -1.341 40 30 DAEBMO CN(C)/C=[NH+]/c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000252426404 337383702 /nfs/dbraw/zinc/38/37/02/337383702.db2.gz ALIMWRMSWXTSDB-MDDBVMLMSA-N 1 1 322.325 -1.341 40 30 DAEBMO CN(C)/C=[NH+]/c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O ZINC000252426405 337383705 /nfs/dbraw/zinc/38/37/05/337383705.db2.gz ALIMWRMSWXTSDB-ZGFTVRKDSA-N 1 1 322.325 -1.341 40 30 DAEBMO