smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2[nH+]c2c(C(=O)NCC(N)=O)cccc12 ZINC000027739038 561882353 /nfs/dbraw/zinc/88/23/53/561882353.db2.gz VZLAJLDAKVXFNO-UHFFFAOYSA-N 1 1 506.588 2.784 10 10 KFCEMO COc1ccc(N2CC[NH+](CCCNS(=O)(=O)c3cc(Br)cc4c3N(C(C)=O)CC4)CC2)cc1 ZINC000101195293 554671973 /nfs/dbraw/zinc/67/19/73/554671973.db2.gz IWUSGRAYFLJMJE-UHFFFAOYSA-N 1 1 551.507 2.857 10 10 KFCEMO