smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N(CC)CC)c1 ZINC000514391647 1066443441 /nfs/dbraw/zinc/44/34/41/1066443441.db2.gz OATTXMNIOIJORK-UHFFFAOYSA-N 0 3 534.752 3.562 20 30 KHEDHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)NC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000514403320 1066456248 /nfs/dbraw/zinc/45/62/48/1066456248.db2.gz SSIABFIBJYBXGK-UHFFFAOYSA-N 0 3 511.692 3.942 20 30 KHEDHN