smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N+](C)(CC)C[C@@H](O)COc1cccc(OC[C@H](O)C[N+](C)(CC)CC)c1 ZINC000005651740 717101125 /nfs/dbraw/zinc/10/11/25/717101125.db2.gz RRIRIVMFPALYGY-WOJBJXKFSA-N 2 0 398.588 2.139 10 5 GEBERP C[N+]1(C[C@@H]2CO[C@H](/C=C/[C@@H]3OC[C@H](C[N+]4(C)CCCCC4)O3)O2)CCCCC1 ZINC000033956306 717123500 /nfs/dbraw/zinc/12/35/00/717123500.db2.gz KRLPCHIOPFHQBJ-QMYRTHAHSA-N 2 0 396.572 2.287 10 5 GEBERP CC[N+](C)(CC)C[C@@H](O)COc1cccc(OC[C@@H](O)C[N+](C)(CC)CC)c1 ZINC000005651736 717100812 /nfs/dbraw/zinc/10/08/12/717100812.db2.gz RRIRIVMFPALYGY-BGYRXZFFSA-N 2 0 398.588 2.139 10 5 GEBERP CC[N+](C)(CC)C[C@H](O)COc1cccc(OC[C@@H](O)C[N+](C)(CC)CC)c1 ZINC000005651737 717101127 /nfs/dbraw/zinc/10/11/27/717101127.db2.gz RRIRIVMFPALYGY-PMACEKPBSA-N 2 0 398.588 2.139 10 5 GEBERP C[N+](C)(C)CCOC(=O)CCc1ccc(CCC(=O)OCC[N+](C)(C)C)cc1 ZINC000031539266 717119782 /nfs/dbraw/zinc/11/97/82/717119782.db2.gz ORMHUNCDVPBZKV-UHFFFAOYSA-N 2 0 394.556 2.051 10 5 GEBERP