smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000015721431 555955960 /nfs/dbraw/zinc/95/59/60/555955960.db2.gz YVHCULPWZYVJEK-IHRRRGAJSA-N 2 2 465.515 -2.781 10 0 JAAELP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000015721431 555955956 /nfs/dbraw/zinc/95/59/56/555955956.db2.gz YVHCULPWZYVJEK-IHRRRGAJSA-N 2 2 465.515 -2.781 10 0 JAAELP [NH3+]CCCC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000015722196 555956862 /nfs/dbraw/zinc/95/68/62/555956862.db2.gz VHFZVZMBXJOMKA-JYJNAYRXSA-N 3 2 468.559 -2.292 10 0 JAAELP [NH3+]CCCC[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CCCC[NH3+])C(=O)[O-] ZINC000015722196 555956859 /nfs/dbraw/zinc/95/68/59/555956859.db2.gz VHFZVZMBXJOMKA-JYJNAYRXSA-N 3 2 468.559 -2.292 10 0 JAAELP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC000031976817 556412335 /nfs/dbraw/zinc/41/23/35/556412335.db2.gz FFSSGCULYCDLRM-IHRRRGAJSA-N 3 2 464.531 -3.380 10 0 JAAELP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)C[NH3+])C(=O)N1CCC[C@H]1C(N)=O ZINC000031976817 556412334 /nfs/dbraw/zinc/41/23/34/556412334.db2.gz FFSSGCULYCDLRM-IHRRRGAJSA-N 3 2 464.531 -3.380 10 0 JAAELP