smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCCCCCCCCCCCC(=O)[C@@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100124694 717142530 /nfs/dbraw/zinc/14/25/30/717142530.db2.gz WVCNLDJYKZNJTJ-IFMALSPDSA-O 0 0 419.070 6.399 40 50 HKGBRN CCCCCCCCCCCCCCCC(=O)[C@H](C[C@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100124699 717142564 /nfs/dbraw/zinc/14/25/64/717142564.db2.gz WVCNLDJYKZNJTJ-RBBKRZOGSA-O 0 0 419.070 6.399 40 50 HKGBRN CCCCCCCCCCCCCCCC(=O)[C@@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100124702 717142688 /nfs/dbraw/zinc/14/26/88/717142688.db2.gz WVCNLDJYKZNJTJ-IRLDBZIGSA-O 0 0 419.070 6.399 40 50 HKGBRN CCCCCCCCCCCCCCCC(=O)[C@H](C[C@@H](Cl)[N+](C)(C)C)C(=O)[O-] ZINC000100124704 717142611 /nfs/dbraw/zinc/14/26/11/717142611.db2.gz WVCNLDJYKZNJTJ-UNMCSNQZSA-O 0 0 419.070 6.399 40 50 HKGBRN C[N+](C)([O-])CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1 ZINC000605697564 717185920 /nfs/dbraw/zinc/18/59/20/717185920.db2.gz KDHIASPFJAGSRF-QPLCGJKRSA-N 0 0 421.968 6.228 40 50 HKGBRN