smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCNC(=O)C[N@H+](CC(=O)[O-])[C@@H]1CCCC[C@@H]1N(CC(=O)[O-])CC(=O)[O-] ZINC000022860210 209174435 /nfs/dbraw/zinc/17/44/35/209174435.db2.gz GWNSLWNJAOEULA-OLZOCXBDSA-N -2 2 385.417 -0.542 1 30 GBEFLL C=CCNC(=O)C[N@@H+](CC(=O)[O-])[C@@H]1CCCC[C@@H]1N(CC(=O)[O-])CC(=O)[O-] ZINC000022860210 209174432 /nfs/dbraw/zinc/17/44/32/209174432.db2.gz GWNSLWNJAOEULA-OLZOCXBDSA-N -2 2 385.417 -0.542 1 30 GBEFLL C=CCNC(=O)C[N@H+](CC(=O)[O-])[C@H]1CCCC[C@@H]1N(CC(=O)[O-])CC(=O)[O-] ZINC000022860212 209175709 /nfs/dbraw/zinc/17/57/09/209175709.db2.gz GWNSLWNJAOEULA-STQMWFEESA-N -2 2 385.417 -0.542 1 30 GBEFLL C=CCNC(=O)C[N@@H+](CC(=O)[O-])[C@H]1CCCC[C@@H]1N(CC(=O)[O-])CC(=O)[O-] ZINC000022860212 209175705 /nfs/dbraw/zinc/17/57/05/209175705.db2.gz GWNSLWNJAOEULA-STQMWFEESA-N -2 2 385.417 -0.542 1 30 GBEFLL C=CCNC(=O)C[N@@H+](CC(=O)[O-])[C@H]1CCCC[C@H]1N(CC(=O)[O-])CC(=O)[O-] ZINC000023478263 212106012 /nfs/dbraw/zinc/10/60/12/212106012.db2.gz GWNSLWNJAOEULA-QWHCGFSZSA-N -2 2 385.417 -0.542 1 30 GBEFLL C=CCNC(=O)C[N@H+](CC(=O)[O-])[C@H]1CCCC[C@H]1N(CC(=O)[O-])CC(=O)[O-] ZINC000023478263 212106016 /nfs/dbraw/zinc/10/60/16/212106016.db2.gz GWNSLWNJAOEULA-QWHCGFSZSA-N -2 2 385.417 -0.542 1 30 GBEFLL C=CCNC(=O)C[N@H+](CC(=O)[O-])[C@@H]1CCCC[C@H]1N(CC(=O)[O-])CC(=O)[O-] ZINC000023478265 206252330 /nfs/dbraw/zinc/25/23/30/206252330.db2.gz GWNSLWNJAOEULA-CHWSQXEVSA-N -2 2 385.417 -0.542 1 30 GBEFLL C=CCNC(=O)C[N@@H+](CC(=O)[O-])[C@@H]1CCCC[C@H]1N(CC(=O)[O-])CC(=O)[O-] ZINC000023478265 206252328 /nfs/dbraw/zinc/25/23/28/206252328.db2.gz GWNSLWNJAOEULA-CHWSQXEVSA-N -2 2 385.417 -0.542 1 30 GBEFLL