smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035870417 569063905 /nfs/dbraw/zinc/06/39/05/569063905.db2.gz PNZJPEYUGYZNND-PZJWPPBQSA-N 2 1 415.538 1.878 50 5 HDBAMP C[NH+](C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@H]12 ZINC000035870416 569063964 /nfs/dbraw/zinc/06/39/64/569063964.db2.gz PNZJPEYUGYZNND-TZIWHRDSSA-N 2 1 415.538 1.878 50 5 HDBAMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000095459752 568619874 /nfs/dbraw/zinc/61/98/74/568619874.db2.gz OPDSVNLOAYVRCI-UHFFFAOYSA-N 2 1 406.483 1.391 50 5 HDBAMP C[NH+](C)CCCNc1nc(N)c([N+](=O)[O-])c(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000057457043 568837794 /nfs/dbraw/zinc/83/77/94/568837794.db2.gz AXFILFDSOBXFRY-UHFFFAOYSA-N 2 1 414.514 1.653 50 5 HDBAMP C[NH+](C)CCNC(=O)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681306 569127382 /nfs/dbraw/zinc/12/73/82/569127382.db2.gz PNZJPEYUGYZNND-FPOVZHCZSA-N 2 1 415.538 1.878 50 5 HDBAMP C[NH+](C)CCNC(=O)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@H+](C3CCCC3)C[C@@H]12 ZINC000169681305 569127386 /nfs/dbraw/zinc/12/73/86/569127386.db2.gz PNZJPEYUGYZNND-CTNGQTDRSA-N 2 1 415.538 1.878 50 5 HDBAMP