smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2C[N@@H+](C)CCN32)C(=O)N(C)C1=O ZINC000016956872 556187644 /nfs/dbraw/zinc/18/76/44/556187644.db2.gz CTVHNTQXJHVYLU-INIZCTEOSA-N 1 0 495.496 -0.938 50 10 JBCARO CN1CCc2cc([C@H](CNC(=O)C(=O)NCCN3CCOCC3)N3CC[NH+](C)CC3)ccc21 ZINC000022734310 523998068 /nfs/dbraw/zinc/99/80/68/523998068.db2.gz NOWZXHNPZSGWRY-QFIPXVFZSA-N 1 0 458.607 -0.468 50 10 JBCARO CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCN3CCOCC3)N3CC[NH+](C)CC3)ccc21 ZINC000022734313 523997582 /nfs/dbraw/zinc/99/75/82/523997582.db2.gz NOWZXHNPZSGWRY-JOCHJYFZSA-N 1 0 458.607 -0.468 50 10 JBCARO