smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+]1(CCCCCCC[N+]2(C)CCCCC2)CCCCC1 ZINC000033852529 717122564 /nfs/dbraw/zinc/12/25/64/717122564.db2.gz YPGMTLGQWWJLHO-UHFFFAOYSA-N 2 0 296.543 4.198 10 5 CIBERP C[N+](C)(C)c1ccc2cc3ccc([N+](C)(C)C)cc3cc2c1 ZINC000006068190 717103448 /nfs/dbraw/zinc/10/34/48/717103448.db2.gz SOQWTHVSLNEULL-UHFFFAOYSA-N 2 0 294.442 4.386 10 5 CIBERP CCCC[N+](C)(C)CCCCCC[N+](C)(C)CCCC ZINC000005647360 717100275 /nfs/dbraw/zinc/10/02/75/717100275.db2.gz JSQRDFVPKNSLQC-UHFFFAOYSA-N 2 0 286.548 4.300 10 5 CIBERP C[N+](C)(C)CCCCCCCCCCCC[N+](C)(C)C ZINC000003961365 717097574 /nfs/dbraw/zinc/09/75/74/717097574.db2.gz PUOAFIKQSLOKQZ-UHFFFAOYSA-N 2 0 286.548 4.300 10 5 CIBERP