smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC000096917189 185129901 /nfs/dbraw/zinc/12/99/01/185129901.db2.gz CLONXERNLVHQEN-UWVGGRQHSA-N 1 3 282.348 -1.621 1 0 CAAFHO NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC000096917189 185129903 /nfs/dbraw/zinc/12/99/03/185129903.db2.gz CLONXERNLVHQEN-UWVGGRQHSA-N 1 3 282.348 -1.621 1 0 CAAFHO NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC000096921277 185131286 /nfs/dbraw/zinc/13/12/86/185131286.db2.gz CLONXERNLVHQEN-VHSXEESVSA-N 1 3 282.348 -1.621 1 0 CAAFHO NC(=O)[C@@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC000096921277 185131287 /nfs/dbraw/zinc/13/12/87/185131287.db2.gz CLONXERNLVHQEN-VHSXEESVSA-N 1 3 282.348 -1.621 1 0 CAAFHO N=C1N[C@@H]2[C@H](COC(N)=O)NC(=[NH2+])N3CCC(O)(O)[C@]23N1 ZINC000085532169 295024351 /nfs/dbraw/zinc/02/43/51/295024351.db2.gz RPQXVSUAYFXFJA-LYAQYDMKSA-N 1 3 299.291 -3.642 1 0 biogenic,in-vitro CAAFHO