smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@@H](C)[C@@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013520703 553468320 /nfs/dbraw/zinc/46/83/20/553468320.db2.gz XHTORJWGZKCDGL-GRGSLBFTSA-N 1 3 504.592 0.646 50 5 KCBAHO CC(C)C[C@H](NC(=O)[C@H](N)C(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000013541297 553469756 /nfs/dbraw/zinc/46/97/56/553469756.db2.gz ZNKZJCICBFSACN-GBESFXJTSA-N 1 3 506.608 0.796 50 5 KCBAHO