smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(/C=C2\CN(C(=O)CCC(=O)NCCC[NH2+]CCCC[NH2+]CCCN)C/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000072148928 562729967 /nfs/dbraw/zinc/72/99/67/562729967.db2.gz ZIUHEIIZHIASMF-MKYUKRCKSA-N 2 3 651.805 2.588 1 30 KFEFHP CC[C@@]1(CNC(=[NH2+])NC)C#C[C@H]2CCC[C@]3(CNC)C[C@H](CC[NH2+]3)Oc3cc(c(CO)cc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085627910 565160723 /nfs/dbraw/zinc/16/07/23/565160723.db2.gz KWPHFRIKEXQAAE-JSVVLFCUSA-N 2 3 641.854 2.552 1 30 biogenic,in-vitro KFEFHP