smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000032478168 556436330 /nfs/dbraw/zinc/43/63/30/556436330.db2.gz ULNIPNLLMGIFPQ-UHFFFAOYSA-N 2 2 467.529 4.328 50 5 JIBALP CC/N=c1/cc2oc3cc(NCC)c(C)cc3c(-c3ccccc3C(=O)NCC[NH2+]CC[NH3+])c-2cc1C ZINC000100051935 569752058 /nfs/dbraw/zinc/75/20/58/569752058.db2.gz OPWRSOKNHDKQGQ-CLIDGEQKSA-N 2 2 499.659 4.452 50 5 JIBALP CCNc1cc2oc3c/c(=[NH+]/CC)c(C)cc-3c(-c3ccccc3C(=O)NCC[NH2+]CC[NH3+])c2cc1C ZINC000100051935 569752059 /nfs/dbraw/zinc/75/20/59/569752059.db2.gz OPWRSOKNHDKQGQ-CLIDGEQKSA-N 3 2 499.659 4.452 50 5 JIBALP