smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@]1(C2CC[NH+](Cc3cccc(OC)c3O)CC2)NC(=O)N(CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC000014963447 521313439 /nfs/dbraw/zinc/31/34/39/521313439.db2.gz YEDXYULTFMLHHE-HFZDXXHNSA-N 2 0 472.630 3.188 50 10 JGCARP C[N+](C)(C)c1ccc2c(c1)OCCOCCOc1ccc([N+](C)(C)C)cc1OCCOCCO2 ZINC000008664623 569592640 /nfs/dbraw/zinc/59/26/40/569592640.db2.gz PWVARPYTCQVGOU-UHFFFAOYSA-N 2 0 476.614 3.342 50 10 JGCARP CCC[C@@]1(C2CC[NH+](Cc3cccc(OC)c3O)CC2)NC(=O)N(CC[C@@H]2CCC[N@@H+]2C)C1=O ZINC000014963443 520958575 /nfs/dbraw/zinc/95/85/75/520958575.db2.gz YEDXYULTFMLHHE-LVXARBLLSA-N 2 0 472.630 3.188 50 10 JGCARP CCC[C@@]1(C2CC[NH+](Cc3cccc(OC)c3O)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000014963451 520959353 /nfs/dbraw/zinc/95/93/53/520959353.db2.gz YEDXYULTFMLHHE-RLWLMLJZSA-N 2 0 472.630 3.188 50 10 JGCARP CCC[C@]1(C2CC[NH+](Cc3cccc(OC)c3O)CC2)NC(=O)N(CC[C@H]2CCC[N@@H+]2C)C1=O ZINC000014963455 521314310 /nfs/dbraw/zinc/31/43/10/521314310.db2.gz YEDXYULTFMLHHE-QFQXNSOFSA-N 2 0 472.630 3.188 50 10 JGCARP