smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)N(CCCN2CCCC2=O)CCS(=O)(=O)N2CC[NH2+]CC2)cc1 ZINC000015868797 556046711 /nfs/dbraw/zinc/04/67/11/556046711.db2.gz FXGNUEGPMVRCMP-UHFFFAOYSA-N 1 1 488.632 -0.067 10 0 JBAEMO CC[N@H+]1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@@H]32)[C@@H]14 ZINC000030726622 560090792 /nfs/dbraw/zinc/09/07/92/560090792.db2.gz BMZNJVXOLCBDPZ-FCXNFKKQSA-N 1 1 453.576 -0.383 10 0 biogenic,in-vitro JBAEMO