smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(CCCCCC[N+](C)(C)CC(=O)NC(N)=O)CC(=O)NC(N)=O ZINC000004683558 483411682 /nfs/dbraw/zinc/41/16/82/483411682.db2.gz YYQMPTYHPPTZDX-UHFFFAOYSA-P 2 0 374.486 -0.911 40 30 FBEBRP C[NH+](CCCC[N@@H+](C)CCOS(C)(=O)=O)CCOS(C)(=O)=O ZINC000095793755 483823615 /nfs/dbraw/zinc/82/36/15/483823615.db2.gz RMCAONQJJCTRJW-UHFFFAOYSA-N 2 0 360.498 -0.417 40 30 FBEBRP CC(=NNC(N)=[NH2+])C(N=NC(N)=[NH2+])N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000104059002 209257545 /nfs/dbraw/zinc/25/75/45/209257545.db2.gz MTFAXSLHAJSVJC-PONLZDJZSA-N 2 0 367.399 -0.927 40 30 FBEBRP CC(=NNC(N)=[NH2+])C(N=NC(N)=[NH2+])N=Nc1ccc(S(N)(=O)=O)cc1 ZINC000104059007 222350856 /nfs/dbraw/zinc/35/08/56/222350856.db2.gz MTFAXSLHAJSVJC-WQKBTEABSA-N 2 0 367.399 -0.927 40 30 FBEBRP