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]1CCN2CC[C@@]([NH3+])(Cc3ccccc3)C(=O)N12)C(=O)C(=O)NCCc1ccccc1 ZINC000003831678 561683417 /nfs/dbraw/zinc/68/34/17/561683417.db2.gz TWEWLGCOQPUDAQ-FOUYOVOOSA-N 2 0 576.702 -0.176 1 0 KBAFRP CCN(Cc1ccccc1F)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+] ZINC000003924652 561686275 /nfs/dbraw/zinc/68/62/75/561686275.db2.gz IMDGPBZIEXGELD-YADHBBJMSA-N 2 0 571.658 -0.162 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000003925356 561686427 /nfs/dbraw/zinc/68/64/27/561686427.db2.gz MVMUALCRWZYTQR-LJQANCHMSA-N 2 0 516.628 -0.545 1 0 in-vitro KBAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)CNC(N)=[NH2+])cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000005372825 561695766 /nfs/dbraw/zinc/69/57/66/561695766.db2.gz NKMHMNWNJGBNJC-UHFFFAOYSA-N 2 0 552.600 -0.316 1 0 KBAFRP Cc1nc(CCNC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c(=O)[nH]c1CCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000013560897 561719856 /nfs/dbraw/zinc/71/98/56/561719856.db2.gz QKOQVYQIHHJNRR-VXKWHMMOSA-N 2 0 522.606 -0.053 1 0 KBAFRP COC(=O)[C@H](Cc1cccc(C[NH3+])c1)NC(=O)CC[C@H]1NC(=O)[C@H](CCC(=O)N[C@@H](Cc2cccc(C[NH3+])c2)C(=O)OC)NC1=O ZINC000014140165 561736930 /nfs/dbraw/zinc/73/69/30/561736930.db2.gz NHQXODXIPBEQAV-QYOOZWMWSA-N 2 0 638.722 -0.752 1 0 KBAFRP COC(=O)[C@@H](Cc1cccc(C[NH3+])c1)NC(=O)CC[C@H]1NC(=O)[C@H](CCC(=O)N[C@@H](Cc2cccc(C[NH3+])c2)C(=O)OC)NC1=O ZINC000014140170 561736955 /nfs/dbraw/zinc/73/69/55/561736955.db2.gz NHQXODXIPBEQAV-POYMRFPPSA-N 2 0 638.722 -0.752 1 0 KBAFRP CCn1c2[nH]c(-c3ccc(OCC(=O)NCCNC(=O)[C@@H]([NH3+])CCCC[NH3+])cc3)nc2c(=O)n(CC)c1=O ZINC000026276041 561778349 /nfs/dbraw/zinc/77/83/49/561778349.db2.gz IWXQVKQUPPWKNV-SFHVURJKSA-N 2 0 528.614 -0.339 1 0 KBAFRP Cn1cc(NC(=O)CCC(=O)Nc2cc(C(=O)NCCC(N)=[NH2+])n(C)c2)cc1C(=O)NCCC(N)=[NH2+] ZINC000026404011 561789164 /nfs/dbraw/zinc/78/91/64/561789164.db2.gz NZMPBIXULRUKMB-UHFFFAOYSA-N 2 0 500.564 -0.167 1 0 KBAFRP CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H](CCC[NH3+])C(N)=O ZINC000026481915 561791856 /nfs/dbraw/zinc/79/18/56/561791856.db2.gz IICSTVRTQJSLJS-VMXMFDLUSA-N 2 0 549.673 -0.829 1 0 KBAFRP CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)C[NH2+]CCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(N)=O ZINC000026486005 561792458 /nfs/dbraw/zinc/79/24/58/561792458.db2.gz NUAPOPLAHOCHST-VABKMULXSA-N 2 0 558.705 -0.582 1 0 KBAFRP O=C(c1ccc(C(=O)N2CCC[NH2+]CCNCCC[NH2+]CC2)cc1)N1CCC[NH2+]CCNCCC[NH2+]CC1 ZINC000026493444 561793866 /nfs/dbraw/zinc/79/38/66/561793866.db2.gz ZQBOYIMVWAOTSR-UHFFFAOYSA-N 4 0 530.762 -0.304 1 0 KBAFRP Cc1nc(CCNC(=O)[C@H]([NH3+])Cc2ccc(O)cc2)c(=O)[nH]c1CCNC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000026576161 561799962 /nfs/dbraw/zinc/79/99/62/561799962.db2.gz QKOQVYQIHHJNRR-FCHUYYIVSA-N 2 0 522.606 -0.053 1 0 KBAFRP Cc1nc(CCNC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c(=O)[nH]c1CCNC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000026576162 561799936 /nfs/dbraw/zinc/79/99/36/561799936.db2.gz QKOQVYQIHHJNRR-YADHBBJMSA-N 2 0 522.606 -0.053 1 0 KBAFRP Cc1nc(CCNC(=O)[C@H]([NH3+])Cc2ccc(O)cc2)c(=O)[nH]c1CCNC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000026576163 561799954 /nfs/dbraw/zinc/79/99/54/561799954.db2.gz QKOQVYQIHHJNRR-FGZHOGPDSA-N 2 0 522.606 -0.053 1 0 KBAFRP COc1ccc(C[NH2+]CCC[C@H]([NH2+]Cc2ccccc2)C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O)cc1 ZINC000026718702 561814846 /nfs/dbraw/zinc/81/48/46/561814846.db2.gz BSDQBNMDJUWYTK-VGYJGIBYSA-N 2 0 699.850 -0.803 1 0 KBAFRP NC(=[NH2+])NCCCCC(=O)N1CCN(C(=O)COc2ccc(OCC(=O)N3CCN(C(=O)CCCCNC(N)=[NH2+])CC3)cc2)CC1 ZINC000026973278 561830640 /nfs/dbraw/zinc/83/06/40/561830640.db2.gz PQNPMARPUWCXBG-UHFFFAOYSA-N 2 0 644.778 -0.907 1 0 KBAFRP NC(=[NH2+])NCCCCCC(=O)N1CCN(C(=O)COc2ccc(OCC(=O)N3CCN(C(=O)CCCCCNC(N)=[NH2+])CC3)cc2)CC1 ZINC000026979673 561831246 /nfs/dbraw/zinc/83/12/46/561831246.db2.gz AVUYMOKNWRCTRQ-UHFFFAOYSA-N 2 0 672.832 -0.127 1 0 KBAFRP c1cc(CC2CNCC[NH2+]CCCNCC[NH2+]C2)ccc1CC1CNCC[NH2+]CCCNCC[NH2+]C1 ZINC000027210011 561846974 /nfs/dbraw/zinc/84/69/74/561846974.db2.gz RXPOKEWIXNQLTK-UHFFFAOYSA-N 4 0 502.796 -0.472 1 0 KBAFRP CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])C(N)=O ZINC000027757507 561883631 /nfs/dbraw/zinc/88/36/31/561883631.db2.gz OHPJVXXNIJIHQV-XQUALCHDSA-N 2 0 540.665 -0.017 1 0 KBAFRP CCOC(=O)c1ccc(CCOC(=O)N[C@H](CC2CCN(C(N)=[NH2+])CC2)C(=O)NCC(=O)N[C@H]2CCCN(C(N)=[NH2+])[C@@H]2O)cc1 ZINC000027769890 561885136 /nfs/dbraw/zinc/88/51/36/561885136.db2.gz BBBPQQFJGKHFAT-SGIRGMQISA-N 2 0 631.735 -0.595 1 0 KBAFRP NC(=[NH2+])NCCC[C@H](NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)[C@@H](CCCNC(N)=[NH2+])C1=O)C(=O)c1nccs1 ZINC000027849872 561885919 /nfs/dbraw/zinc/88/59/19/561885919.db2.gz ABWTYHKQMAEDCC-PMACEKPBSA-N 2 0 634.789 -0.620 1 0 KBAFRP NC(=[NH2+])NCCC[C@H](NC(=O)CN1CCN(S(=O)(=O)Cc2ccccc2)[C@H](CCCNC(N)=[NH2+])C1=O)C(=O)c1nccs1 ZINC000027850501 561885946 /nfs/dbraw/zinc/88/59/46/561885946.db2.gz ABWTYHKQMAEDCC-VQTJNVASSA-N 2 0 634.789 -0.620 1 0 KBAFRP CC(C)[C@H]([NH2+]C[C@H](CC(N)=O)NC(=O)[C@@H]([NH3+])CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 ZINC000028018482 561897833 /nfs/dbraw/zinc/89/78/33/561897833.db2.gz ZRNYLRUGIKAULR-HNRCJHGASA-N 2 0 612.728 -0.744 1 0 KBAFRP CC(C)[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]([NH3+])CO ZINC000028090071 561899807 /nfs/dbraw/zinc/89/98/07/561899807.db2.gz DJWDTBYXNSNJNS-KLSDWBHSSA-N 2 0 612.728 -0.744 1 0 KBAFRP COC(=O)[C@@H](Cc1cccc(C[NH3+])c1)NC(=O)CC[C@H]1NC(=O)[C@@H](CCC(=O)N[C@@H](Cc2cccc(C[NH3+])c2)C(=O)OC)NC1=O ZINC000028108791 561902737 /nfs/dbraw/zinc/90/27/37/561902737.db2.gz NHQXODXIPBEQAV-POTDNYQPSA-N 2 0 638.722 -0.752 1 0 KBAFRP COC(=O)[C@H](Cc1cccc(C[NH3+])c1)NC(=O)CC[C@H]1NC(=O)[C@@H](CCC(=O)N[C@@H](Cc2cccc(C[NH3+])c2)C(=O)OC)NC1=O ZINC000028108799 561902708 /nfs/dbraw/zinc/90/27/08/561902708.db2.gz NHQXODXIPBEQAV-XPGKHFPBSA-N 2 0 638.722 -0.752 1 0 KBAFRP NC(=[NH2+])NCCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c2ccccc2)NC1=O ZINC000028131730 561905813 /nfs/dbraw/zinc/90/58/13/561905813.db2.gz WDPUJQNUUAGTCC-HJOGWXRNSA-N 2 0 657.821 -0.742 1 0 KBAFRP NC(=[NH2+])NCCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc2ccccc2)NC1=O ZINC000028131737 561905814 /nfs/dbraw/zinc/90/58/14/561905814.db2.gz XLFVGGLDVJXBRJ-SDHOMARFSA-N 2 0 687.847 -0.246 1 0 KBAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2cccc(C(N)=[NH2+])c2)NC1=O ZINC000028132538 561905958 /nfs/dbraw/zinc/90/59/58/561905958.db2.gz FQVSWYBJKVCHQP-VABKMULXSA-N 2 0 620.715 -0.369 1 0 KBAFRP c1ncc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)nc1CN1CCC[NH2+]CCNCCC[NH2+]CC1 ZINC000028217932 561907035 /nfs/dbraw/zinc/90/70/35/561907035.db2.gz HEFYTDSFSBFEIL-UHFFFAOYSA-N 4 0 504.772 -0.794 1 0 KBAFRP Nc1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)ccc1CN1CCC[NH2+]CCNCCC[NH2+]CC1 ZINC000028219923 561907176 /nfs/dbraw/zinc/90/71/76/561907176.db2.gz ZUESNEQIVOJVPL-UHFFFAOYSA-N 4 0 517.811 -0.002 1 0 KBAFRP [NH3+]C[C@H]1O[C@@H](O[C@@H](C[NH2+]Cc2ccc(SC(F)(F)F)cc2)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O ZINC000028223961 561907701 /nfs/dbraw/zinc/90/77/01/561907701.db2.gz ZQQWMVDSUUFGAZ-XKXSSWDPSA-N 2 0 578.566 -0.623 1 0 KBAFRP C[N@@H+](Cc1ccc(-c2ccccc2)cc1)C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1 ZINC000028225563 561907922 /nfs/dbraw/zinc/90/79/22/561907922.db2.gz JTPXGOHMZJZWRP-WBSGOERWSA-N 2 0 568.627 -0.225 1 0 KBAFRP [NH3+]C[C@H]1O[C@@H](O[C@@H](C[NH2+]CCc2ccc(Oc3ccccc3)cc2)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O ZINC000028227242 561908312 /nfs/dbraw/zinc/90/83/12/561908312.db2.gz DUUYVLXZKPZXPH-WBSGOERWSA-N 2 0 584.626 -0.400 1 0 KBAFRP CC(C)(C)c1ccc(C[NH2+]C[C@H](O[C@@H]2O[C@H](C[NH3+])[C@@H](O)[C@H]2O)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)cc1 ZINC000028228012 561908429 /nfs/dbraw/zinc/90/84/29/561908429.db2.gz CZBHKKCHKMVIKG-VXAIIWMZSA-N 2 0 534.610 -0.937 1 0 KBAFRP CCCCC[NH+](CCCCC)C[C@H](O[C@@H]1O[C@H](C[NH3+])[C@@H](O)[C@H]1O)[C@@H]1C[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O1 ZINC000028229422 561908852 /nfs/dbraw/zinc/90/88/52/561908852.db2.gz RWQVQCUDCXZINH-VXAIIWMZSA-N 2 0 528.647 -0.342 1 0 KBAFRP CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCC[NH3+])C(N)=O ZINC000028264977 561912478 /nfs/dbraw/zinc/91/24/78/561912478.db2.gz HPOCYHUDQWANBX-IIZANFQQSA-N 2 0 726.945 -0.122 1 0 KBAFRP NC(=[NH2+])NCCCC(=O)NCCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)OCc2ccccc2)NC1=O ZINC000028339128 561913734 /nfs/dbraw/zinc/91/37/34/561913734.db2.gz JXUVCTUDBUXEQU-HJOGWXRNSA-N 2 0 673.820 -0.636 1 0 KBAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)NCCCC[C@@H]1NC(=O)[C@H](CC(=O)Nc2ccc(C(N)=[NH2+])cc2)NC1=O ZINC000028344271 561914572 /nfs/dbraw/zinc/91/45/72/561914572.db2.gz YRTRWCCJJPBOGT-VABKMULXSA-N 2 0 620.715 -0.369 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000028475607 561928000 /nfs/dbraw/zinc/92/80/00/561928000.db2.gz ZLTWSKRUWSCNKB-XFTNXAEASA-N 2 0 687.802 -0.598 1 0 in-vitro KBAFRP CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000028564923 561935871 /nfs/dbraw/zinc/93/58/71/561935871.db2.gz STUZKRRDLCTWJJ-ZJZGAYNASA-N 2 0 675.836 -0.830 1 0 KBAFRP NC(=[NH2+])NCCC[C@H](NS(=O)(=O)c1cccc(C(F)(F)F)c1)C(=O)N1CCN(CCOCCOCC[NH3+])CC1 ZINC000028643804 561944254 /nfs/dbraw/zinc/94/42/54/561944254.db2.gz QESHLZJJOYTWEQ-FQEVSTJZSA-N 2 0 581.662 -0.248 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000028886621 561977704 /nfs/dbraw/zinc/97/77/04/561977704.db2.gz LBWZFNAGWGIVLH-FKBYEOEOSA-N 3 0 552.684 -0.795 1 0 KBAFRP Cc1cc(C)cc(-c2ccc(C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)cc2)c1 ZINC000028886625 561977654 /nfs/dbraw/zinc/97/76/54/561977654.db2.gz BRFCPHUWTMUNNM-HJOGWXRNSA-N 3 0 580.738 -0.178 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(/C=C/c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000028886631 561977737 /nfs/dbraw/zinc/97/77/37/561977737.db2.gz LYODYLIMVIAZDD-HSVUMKRKSA-N 3 0 578.722 -0.292 1 0 KBAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)[C@@H](N)C[NH3+])cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000028964045 561984646 /nfs/dbraw/zinc/98/46/46/561984646.db2.gz JECWSLYCUFBGKC-INIZCTEOSA-N 2 0 539.601 -0.513 1 0 KBAFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)[C@H](N)C[NH3+])cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000028964051 561984657 /nfs/dbraw/zinc/98/46/57/561984657.db2.gz JECWSLYCUFBGKC-MRXNPFEDSA-N 2 0 539.601 -0.513 1 0 KBAFRP CCn1cc(C(=O)Nc2ccc(Nc3nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)nc(N4C[C@H]([NH3+])C[C@H]([NH3+])C4)n3)cc2)c(=O)c2cnc(N3CC[NH2+]CC3)nc21 ZINC000029049237 561994015 /nfs/dbraw/zinc/99/40/15/561994015.db2.gz DKWADOKXOUYSQR-COPRSSIGSA-N 5 0 698.841 -0.869 1 0 KBAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(NC(=O)c4cc(Cl)c[nH]c4=O)c(O)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000029049707 561994123 /nfs/dbraw/zinc/99/41/23/561994123.db2.gz HITYNAMGKQYZHZ-GEEKYZPCSA-N 4 0 585.073 -0.356 1 0 KBAFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(Nc3ccc(NC(=O)c4ncccc4[O-])c(O)c3)nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)n2)C1 ZINC000029049860 561994166 /nfs/dbraw/zinc/99/41/66/561994166.db2.gz DTMJRVDQABBKRO-GEEKYZPCSA-N 3 0 550.628 -0.597 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCC[NH3+])C(=O)c1nccs1 ZINC000029125954 561998237 /nfs/dbraw/zinc/99/82/37/561998237.db2.gz ABHQWAWDQIKQBE-RBUKOAKNSA-N 2 0 580.737 -0.193 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)CCc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2o1 ZINC000029126390 561998718 /nfs/dbraw/zinc/99/87/18/561998718.db2.gz WOLHGVQMGPTOEN-FCHUYYIVSA-N 2 0 656.770 -0.331 1 0 KBAFRP CC(C)C[C@H](NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000029324716 562013307 /nfs/dbraw/zinc/01/33/07/562013307.db2.gz DPQKYJCLYHDFLT-QKUYTOGTSA-N 3 0 723.920 -0.746 1 0 KBAFRP NC(=[NH2+])N1CCC(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCC3CCN(C(N)=[NH2+])CC3)cc2)CC1 ZINC000029388800 562016918 /nfs/dbraw/zinc/01/69/18/562016918.db2.gz NLDZDRVLDYNPMO-UHFFFAOYSA-N 2 0 616.724 -0.418 1 0 KBAFRP c1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)ncc1CN1CCC[NH2+]CCNCCC[NH2+]CC1 ZINC000032016557 562036864 /nfs/dbraw/zinc/03/68/64/562036864.db2.gz ZVNOVAQVIOZWTR-UHFFFAOYSA-N 4 0 503.784 -0.189 1 0 KBAFRP c1nc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)cnc1CN1CCC[NH2+]CCNCCC[NH2+]CC1 ZINC000032016558 562036866 /nfs/dbraw/zinc/03/68/66/562036866.db2.gz TXZXVRYOKBKTFH-UHFFFAOYSA-N 4 0 504.772 -0.794 1 0 KBAFRP Nc1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)c1 ZINC000032016560 562036839 /nfs/dbraw/zinc/03/68/39/562036839.db2.gz RZEACDQYNPOVRN-UHFFFAOYSA-N 4 0 517.811 -0.002 1 0 KBAFRP c1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)n1 ZINC000034015734 562037996 /nfs/dbraw/zinc/03/79/96/562037996.db2.gz MBOGXJRSJWHMRU-UHFFFAOYSA-N 4 0 503.784 -0.189 1 0 KBAFRP NC(=[NH2+])NCCC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(CCNC(N)=[NH2+])CC2)cc1 ZINC000034689228 562039804 /nfs/dbraw/zinc/03/98/04/562039804.db2.gz ISIVCLJSXCJXFI-QHCPKHFHSA-N 3 0 627.776 -0.216 1 0 KBAFRP NC(=[NH2+])NCCC(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(CCNC(N)=[NH2+])CC2)c1 ZINC000034689230 562039825 /nfs/dbraw/zinc/03/98/25/562039825.db2.gz BKCHBFZGPMTYRC-QHCPKHFHSA-N 3 0 627.776 -0.216 1 0 KBAFRP CNC(=O)[C@H]1O[C@@H](n2cnc3c2ncnc3NCc2cc(Cl)ccc2OCC(=O)N2CC[NH2+]CC2)[C@H](O)[C@@H]1[NH3+] ZINC000034800765 562041003 /nfs/dbraw/zinc/04/10/03/562041003.db2.gz VWPGXXNJBZSNKH-QLBZUPSYSA-N 2 0 560.015 -0.766 1 0 KBAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CC[NH2+]CC2)c1 ZINC000040430684 562076889 /nfs/dbraw/zinc/07/68/89/562076889.db2.gz IDRHKJAGRANANS-FQEVSTJZSA-N 3 0 501.613 -0.421 1 0 KBAFRP NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC000042803139 562088095 /nfs/dbraw/zinc/08/80/95/562088095.db2.gz NVXQLCGDGVEKBK-LFBFJMOVSA-N 4 0 587.770 -0.636 1 0 KBAFRP CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)CNCCC[NH2+]CCCC[NH2+]CCC[NH3+])CC2)c2nonc21 ZINC000043080639 562645854 /nfs/dbraw/zinc/64/58/54/562645854.db2.gz IIBLXXPLSYBCPS-UHFFFAOYSA-N 3 0 553.734 -0.590 1 0 KBAFRP CNC(=O)CCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)CC1 ZINC000044305227 562653367 /nfs/dbraw/zinc/65/33/67/562653367.db2.gz WKQPAVCHSFLNFO-QHCPKHFHSA-N 2 0 614.729 -0.655 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1cccc(CNC(N)=[NH2+])c1 ZINC000049678570 562668585 /nfs/dbraw/zinc/66/85/85/562668585.db2.gz KLZSMSSPKKYZOI-NSVAZKTRSA-N 3 0 707.885 -0.834 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000049678612 562668640 /nfs/dbraw/zinc/66/86/40/562668640.db2.gz YGMAIAXBJLVVLI-KLJDGLGGSA-N 3 0 678.843 -0.533 1 0 in-vivo KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1cccc(C[NH3+])c1 ZINC000049678676 562668639 /nfs/dbraw/zinc/66/86/39/562668639.db2.gz GCXHRMNYDWBUJY-NSVAZKTRSA-N 3 0 665.844 -0.359 1 0 KBAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccccc3)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCc2ccccc2)[C@@H]1O ZINC000049678757 562668672 /nfs/dbraw/zinc/66/86/72/562668672.db2.gz FYDXTTYTQZKNDB-JQGYJCLESA-N 4 0 502.612 -0.667 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(CNC(N)=[NH2+])cc1 ZINC000049679035 562668771 /nfs/dbraw/zinc/66/87/71/562668771.db2.gz KRXYDGFFQRQYDO-NSVAZKTRSA-N 3 0 707.885 -0.834 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCCCCC[NH3+] ZINC000049680160 562669120 /nfs/dbraw/zinc/66/91/20/562669120.db2.gz OKVUSVMWJCODCG-LSQMVHIFSA-N 3 0 631.827 -0.889 1 0 KBAFRP [NH3+]C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](OCc3ccccn3)[C@H]([NH3+])C[C@@H]2[NH3+])[C@H]([NH3+])[C@@H](OCc2ccccn2)[C@@H]1OCc1ccccn1 ZINC000049694586 562669483 /nfs/dbraw/zinc/66/94/83/562669483.db2.gz SSYXODQQGHPWTP-YKFWBMAGSA-N 4 0 595.701 -0.257 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C[NH3+])cc1 ZINC000049695495 562670633 /nfs/dbraw/zinc/67/06/33/562670633.db2.gz QNXJPEPKSVYBKK-NSVAZKTRSA-N 3 0 665.844 -0.359 1 0 KBAFRP CC1(C)N=C(N)[NH+]=C(N)N1OCCCNC(=O)c1ccc(C(=O)NCCCON2C(N)=[NH+]C(N)=NC2(C)C)cc1 ZINC000049745071 562673644 /nfs/dbraw/zinc/67/36/44/562673644.db2.gz IWKBAEPKCVUTIU-UHFFFAOYSA-N 2 0 558.648 -0.429 1 0 KBAFRP CCCCCCNC(=O)O[C@H]1[C@H]([NH3+])C[C@H]([NH3+])[C@@H](O[C@H]2O[C@H](C[NH3+])[C@@H](O)[C@H](O)[C@H]2[NH3+])[C@@H]1OC(=O)NCCCCCC ZINC000049766631 562677120 /nfs/dbraw/zinc/67/71/20/562677120.db2.gz WORJXRZEPRDXBE-RIUSHNKTSA-N 4 0 576.736 -0.487 1 0 KBAFRP C[C@H]([NH3+])CN[C@@H](C)C[NH2+][C@@H](C)CN[C@@H](C)C[NH2+][C@@H](C)CN[C@H](C[NH2+]CCC(N)=O)Cc1ccc(O)cc1 ZINC000049774892 562678808 /nfs/dbraw/zinc/67/88/08/562678808.db2.gz GYLSVRLYVXRLCN-RYBBFAMKSA-N 4 0 522.783 -0.383 1 0 KBAFRP CN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]1CCCNC(N)=[NH2+] ZINC000049776220 562679268 /nfs/dbraw/zinc/67/92/68/562679268.db2.gz ACYXHFQQOQRMGX-XJYHXZFBSA-N 2 0 743.870 -0.732 1 0 in-vivo KBAFRP C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000049776222 562679274 /nfs/dbraw/zinc/67/92/74/562679274.db2.gz VWZBFEAQYFTPKH-UIMYGGOYSA-N 2 0 743.870 -0.685 1 0 in-vivo KBAFRP CN1CC(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc2ccc(O)cc2)C1=O ZINC000049776230 562679290 /nfs/dbraw/zinc/67/92/90/562679290.db2.gz RVFLZIGZHRQETC-RRGQHJHPSA-N 2 0 743.870 -0.732 1 0 in-vivo KBAFRP C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000049776340 562679355 /nfs/dbraw/zinc/67/93/55/562679355.db2.gz VWZBFEAQYFTPKH-DXQNDIIUSA-N 2 0 743.870 -0.685 1 0 in-vivo KBAFRP CN1C(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1Cc1ccc2ccccc2c1 ZINC000049778149 562681015 /nfs/dbraw/zinc/68/10/15/562681015.db2.gz XUKFERKCRCTLBJ-ZXYZSCNASA-N 2 0 743.870 -0.732 1 0 in-vivo KBAFRP CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCNC(N)=[NH2+] ZINC000049778193 562681053 /nfs/dbraw/zinc/68/10/53/562681053.db2.gz UYLRGPNGYHIOPK-XAZDILKDSA-N 2 0 743.870 -0.732 1 0 in-vivo KBAFRP C[C@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000049778220 562681073 /nfs/dbraw/zinc/68/10/73/562681073.db2.gz VWZBFEAQYFTPKH-CSHHCLTFSA-N 2 0 743.870 -0.685 1 0 in-vivo KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000049778237 562681107 /nfs/dbraw/zinc/68/11/07/562681107.db2.gz LMVXXKJNXQKPHR-ZXYZSCNASA-N 2 0 743.870 -0.684 1 0 in-vivo KBAFRP CN1C(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000049778238 562681074 /nfs/dbraw/zinc/68/10/74/562681074.db2.gz KKHZUKILPGNUFR-RRGQHJHPSA-N 2 0 743.870 -0.732 1 0 in-vivo KBAFRP CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=CS(=O)(=O)c1ccccc1)CC(N)=O ZINC000049780144 562681390 /nfs/dbraw/zinc/68/13/90/562681390.db2.gz RQSKPFSJSUSLEN-OZVYDFFASA-N 2 0 743.888 -0.851 1 0 KBAFRP C[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000049780177 562681408 /nfs/dbraw/zinc/68/14/08/562681408.db2.gz VWZBFEAQYFTPKH-JTIXJMNMSA-N 2 0 743.870 -0.685 1 0 in-vivo KBAFRP CC(C)[C@H](NC(=O)[C@H](CO)NC(=O)CCC[NH3+])C(=O)NCc1ccc(Nc2ccnc3c(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)cccc23)cc1 ZINC000049803924 562686270 /nfs/dbraw/zinc/68/62/70/562686270.db2.gz IYBASWWOCJOLGA-YCVJPRETSA-N 2 0 719.848 -0.202 1 0 KBAFRP CN1C(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1Cc1ccc2ccccc2c1 ZINC000049807586 562686399 /nfs/dbraw/zinc/68/63/99/562686399.db2.gz XUKFERKCRCTLBJ-ATIZSFMBSA-N 2 0 743.870 -0.732 1 0 in-vivo KBAFRP CN1C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCNC(N)=[NH2+] ZINC000049817684 562686894 /nfs/dbraw/zinc/68/68/94/562686894.db2.gz UYLRGPNGYHIOPK-XJYHXZFBSA-N 2 0 743.870 -0.732 1 0 in-vivo KBAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccccc1)C(=O)[O-] ZINC000049881592 562690942 /nfs/dbraw/zinc/69/09/42/562690942.db2.gz XHVGUCXLWRVFJQ-ACRUOGEOSA-N 2 0 548.689 -0.711 1 0 KBAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC(C(N)=O)CC2)c1 ZINC000049881660 562691020 /nfs/dbraw/zinc/69/10/20/562691020.db2.gz MPYRGEWLKUBJJE-NRFANRHFSA-N 2 0 543.650 -0.129 1 0 KBAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC[C@H](C(N)=O)C2)c1 ZINC000049881723 562691103 /nfs/dbraw/zinc/69/11/03/562691103.db2.gz JINHXQDDSOFEQJ-RXVVDRJESA-N 2 0 543.650 -0.129 1 0 KBAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC[C@@H](C(N)=O)C2)c1 ZINC000049881724 562691077 /nfs/dbraw/zinc/69/10/77/562691077.db2.gz JINHXQDDSOFEQJ-NQIIRXRSSA-N 2 0 543.650 -0.129 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](c2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O ZINC000049898762 562692855 /nfs/dbraw/zinc/69/28/55/562692855.db2.gz UKSPHWPTEMVUBL-RZLMRTLUSA-N 2 0 715.816 -0.944 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCNC(=O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000049942433 562695506 /nfs/dbraw/zinc/69/55/06/562695506.db2.gz LMVXXKJNXQKPHR-KJHMZRPRSA-N 2 0 743.870 -0.684 1 0 in-vivo KBAFRP CN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@H]1Cc1ccc(O)cc1 ZINC000049942435 562695499 /nfs/dbraw/zinc/69/54/99/562695499.db2.gz KKHZUKILPGNUFR-GCXHJFECSA-N 2 0 743.870 -0.732 1 0 in-vivo KBAFRP CN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H]1CCCNC(N)=[NH2+] ZINC000049942454 562695485 /nfs/dbraw/zinc/69/54/85/562695485.db2.gz ACYXHFQQOQRMGX-RRGQHJHPSA-N 2 0 743.870 -0.732 1 0 in-vivo KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000049942532 562695551 /nfs/dbraw/zinc/69/55/51/562695551.db2.gz JSRSAKGXVMPFKH-WHHDSKRTSA-N 3 0 701.837 -0.772 1 0 KBAFRP CC(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CC(N)=O ZINC000049942613 562695576 /nfs/dbraw/zinc/69/55/76/562695576.db2.gz LFUZTTCVBHZUHT-SIHZRSOGSA-N 2 0 649.815 -0.427 1 0 KBAFRP CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=CS(=O)(=O)c1ccccc1)CC(N)=O ZINC000049942614 562695565 /nfs/dbraw/zinc/69/55/65/562695565.db2.gz OSVJLZPEMOUBOU-OZVYDFFASA-N 2 0 743.888 -0.851 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCCc1ccccc1 ZINC000058468677 562697985 /nfs/dbraw/zinc/69/79/85/562697985.db2.gz XAGGMYCNSXQAGA-RNXOBYDBSA-N 3 0 619.775 -0.107 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000058538166 562698754 /nfs/dbraw/zinc/69/87/54/562698754.db2.gz HRWXERFIJUKLGF-VABKMULXSA-N 3 0 566.711 -0.631 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000058538492 562698892 /nfs/dbraw/zinc/69/88/92/562698892.db2.gz FDUOQKKLKKCMIE-PMVMPFDFSA-N 3 0 577.694 -0.930 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000058581177 562699770 /nfs/dbraw/zinc/69/97/70/562699770.db2.gz HMRLQEZRHQRGFB-HVCNVCAESA-N 3 0 605.748 -0.150 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1 ZINC000058600038 562700877 /nfs/dbraw/zinc/70/08/77/562700877.db2.gz FVKULCSGIXKHIC-HVCNVCAESA-N 3 0 605.748 -0.150 1 0 KBAFRP Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000068087521 562715736 /nfs/dbraw/zinc/71/57/36/562715736.db2.gz JBSCZQCGGXEXRN-LVRQLLCASA-N 2 0 653.829 -0.246 1 0 KBAFRP NC(=[NH2+])Nc1ccc(O[C@@H]2C[C@H](Oc3ccc(NC(N)=[NH2+])cc3NC(N)=[NH2+])[C@@H](NC(N)=[NH2+])C[C@H]2NC(N)=[NH2+])cc1 ZINC000070613826 562716349 /nfs/dbraw/zinc/71/63/49/562716349.db2.gz UCNHRISMJPPGNI-ATLSCFEFSA-N 5 0 553.636 -0.705 1 0 KBAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H]1Cc2ccccc2CN(CC(N)=O)C1=O ZINC000071295052 562717078 /nfs/dbraw/zinc/71/70/78/562717078.db2.gz ORYLQLGPWPORPN-VXNXHJTFSA-N 2 0 580.690 -0.818 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)C(c1ccccc1)c1ccccc1 ZINC000071318091 562718385 /nfs/dbraw/zinc/71/83/85/562718385.db2.gz BSQXTFKJAMCRFM-ONTIZHBOSA-N 3 0 552.684 -0.873 1 0 KBAFRP CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000072124367 562725083 /nfs/dbraw/zinc/72/50/83/562725083.db2.gz LCNIJAPGZDYDRQ-LSXSSXCESA-N 2 0 730.912 -0.826 1 0 KBAFRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000072126137 562725290 /nfs/dbraw/zinc/72/52/90/562725290.db2.gz ILRXQEJJULBHDR-LSXSSXCESA-N 2 0 730.912 -0.971 1 0 KBAFRP CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072141076 562729230 /nfs/dbraw/zinc/72/92/30/562729230.db2.gz CQNSCQPENMAOOH-QKDODKLFSA-N 3 0 692.870 -0.143 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)[C@H](CO)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072142628 562729549 /nfs/dbraw/zinc/72/95/49/562729549.db2.gz AKONMZDZNATZKC-UXHICEINSA-N 2 0 503.629 -0.258 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N(C)[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072176053 562731491 /nfs/dbraw/zinc/73/14/91/562731491.db2.gz KAIAEKKJOOHUNI-NSVAZKTRSA-N 3 0 692.870 -0.191 1 0 KBAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072176537 562731640 /nfs/dbraw/zinc/73/16/40/562731640.db2.gz UVWCKWRKMTWVNX-GSDHBNRESA-N 3 0 676.827 -0.683 1 0 KBAFRP CC(C)[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072176564 562731624 /nfs/dbraw/zinc/73/16/24/562731624.db2.gz WFTWIALTOUOLBM-WEWMWRJBSA-N 3 0 678.843 -0.533 1 0 KBAFRP NC(=[NH2+])NCCC[C@H](NC(=O)Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072176644 562731658 /nfs/dbraw/zinc/73/16/58/562731658.db2.gz YBHNJTOQTWLYDA-DTXPUJKBSA-N 3 0 742.886 -0.241 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072176717 562731671 /nfs/dbraw/zinc/73/16/71/562731671.db2.gz YGMAIAXBJLVVLI-WEWMWRJBSA-N 3 0 678.843 -0.533 1 0 KBAFRP CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072176902 562731683 /nfs/dbraw/zinc/73/16/83/562731683.db2.gz DNOSLNJJOBIUGW-URJGTLOMSA-N 3 0 692.870 -0.143 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=O)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072177146 562731720 /nfs/dbraw/zinc/73/17/20/562731720.db2.gz CKHDGGZQLGNMKG-KLJDGLGGSA-N 2 0 679.827 -0.348 1 0 KBAFRP CSCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072178007 562731911 /nfs/dbraw/zinc/73/19/11/562731911.db2.gz IGNVTEYUMOULHZ-GSDHBNRESA-N 3 0 710.910 -0.436 1 0 KBAFRP CC(C)[C@@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccc(C(N)=[NH2+])cc1 ZINC000072178432 562732070 /nfs/dbraw/zinc/73/20/70/562732070.db2.gz YGMAIAXBJLVVLI-OHSXHVKISA-N 3 0 678.843 -0.533 1 0 KBAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)N2CC[NH2+]CC2)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000072179650 562732391 /nfs/dbraw/zinc/73/23/91/562732391.db2.gz QZULTDLPYZTNSX-RPWUZVMVSA-N 2 0 583.715 -0.112 1 0 KBAFRP Cn1cc(NC=O)nc1C(=O)Nc1cc(C(=O)Nc2cn(C)c(C(=O)NCC[NH+](C)C)n2)n(CCC[NH3+])c1 ZINC000073279630 562737405 /nfs/dbraw/zinc/73/74/05/562737405.db2.gz KIAZNMSICBRGKI-UHFFFAOYSA-N 2 0 527.590 -0.332 1 0 KBAFRP Cc1ccc(C[C@H](NC(=O)[C@@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3N2C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(N)=O)cc1 ZINC000082153106 562740138 /nfs/dbraw/zinc/74/01/38/562740138.db2.gz JBSCZQCGGXEXRN-MGEHJJQHSA-N 2 0 653.829 -0.246 1 0 KBAFRP CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]1CCCNC(N)=[NH2+] ZINC000082154522 562740327 /nfs/dbraw/zinc/74/03/27/562740327.db2.gz FZOZRYUHOMFSGD-VZNYXHRGSA-N 2 0 743.870 -0.732 1 0 KBAFRP CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]1CCC[NH3+] ZINC000082156979 562740826 /nfs/dbraw/zinc/74/08/26/562740826.db2.gz RYBIIIZNUPUDLJ-VZNYXHRGSA-N 2 0 701.829 -0.256 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000082181746 562741885 /nfs/dbraw/zinc/74/18/85/562741885.db2.gz KHAJTASUXODXRA-GCXHJFECSA-N 2 0 701.829 -0.208 1 0 in-vitro KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O ZINC000082181747 562741898 /nfs/dbraw/zinc/74/18/98/562741898.db2.gz AJLYIQIZHSFNCU-XFTNXAEASA-N 2 0 713.844 -0.779 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CCCCCCC[NH2+]CCNS(=O)(=O)c1cccc2cnccc21)C(N)=O ZINC000084618254 562745068 /nfs/dbraw/zinc/74/50/68/562745068.db2.gz MWKMUJPFWXNCPT-JWQCQUIFSA-N 3 0 704.903 -0.575 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NCC(=O)Oc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1cccc(CNC(N)=[NH2+])c1 ZINC000084653354 562746842 /nfs/dbraw/zinc/74/68/42/562746842.db2.gz HSAHVGLIISFNMU-KLJDGLGGSA-N 3 0 709.857 -0.676 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)[NH+]=C(N)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O ZINC000084653503 562746849 /nfs/dbraw/zinc/74/68/49/562746849.db2.gz FUJDLJPCMHTLGN-XFTNXAEASA-N 3 0 728.859 -0.623 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[NH+]=C(N)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O ZINC000084653504 562746866 /nfs/dbraw/zinc/74/68/66/562746866.db2.gz QIWQGHHPOUFQSH-XFTNXAEASA-N 3 0 728.859 -0.623 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NCC(=O)Oc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc(C(N)=[NH2+])cc1 ZINC000084653788 562747006 /nfs/dbraw/zinc/74/70/06/562747006.db2.gz TXGYYOZRFLNEHP-GNKBHMEESA-N 3 0 680.815 -0.375 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])[NH+]=C(N)[C@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000084668986 562747810 /nfs/dbraw/zinc/74/78/10/562747810.db2.gz OTUMNUZSCJKOIJ-DZUOILHNSA-N 3 0 728.859 -0.623 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])[NH+]=C(N)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000084669345 562747971 /nfs/dbraw/zinc/74/79/71/562747971.db2.gz OTUMNUZSCJKOIJ-FKWFRFQNSA-N 3 0 728.859 -0.623 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NCC(=O)Oc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1cccc(C[NH3+])c1 ZINC000084670973 562748411 /nfs/dbraw/zinc/74/84/11/562748411.db2.gz MEHMODNCAZZFSG-KLJDGLGGSA-N 3 0 667.816 -0.200 1 0 KBAFRP Cn1cc(NC(=O)c2nc(NC=O)cn2CCC[NH3+])cc1C(=O)Nc1cn(C)c(C(=O)NCC[NH+](C)C)n1 ZINC000084688373 562749198 /nfs/dbraw/zinc/74/91/98/562749198.db2.gz DNMWMFWKECFDTK-UHFFFAOYSA-N 2 0 527.590 -0.332 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)C[NH+]=C(N)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O ZINC000084704688 562749842 /nfs/dbraw/zinc/74/98/42/562749842.db2.gz QIWQGHHPOUFQSH-QUAHOIDUSA-N 3 0 728.859 -0.623 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])[NH+]=C1N ZINC000084706883 562750014 /nfs/dbraw/zinc/75/00/14/562750014.db2.gz SNHQHQGHQSDXQW-XFTNXAEASA-N 3 0 728.859 -0.623 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)[NH+]=C(N)[C@H](CCCNC(N)=[NH2+])NC1=O ZINC000084713482 562750884 /nfs/dbraw/zinc/75/08/84/562750884.db2.gz SRNGQKWFYAHULQ-XFTNXAEASA-N 3 0 728.859 -0.623 1 0 KBAFRP CN1C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]1CCCNC(N)=[NH2+] ZINC000084758166 562752530 /nfs/dbraw/zinc/75/25/30/562752530.db2.gz FZOZRYUHOMFSGD-ZXYZSCNASA-N 2 0 743.870 -0.732 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NCC(=O)Oc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc(CNC(N)=[NH2+])cc1 ZINC000084759407 562752955 /nfs/dbraw/zinc/75/29/55/562752955.db2.gz MRMARZMGNSRUNS-KLJDGLGGSA-N 3 0 709.857 -0.676 1 0 KBAFRP CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000085534326 562753161 /nfs/dbraw/zinc/75/31/61/562753161.db2.gz AWVQBUHYVKKMTF-TUFLPTIASA-N 2 0 530.674 -0.770 1 0 KBAFRP C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000095539498 562755079 /nfs/dbraw/zinc/75/50/79/562755079.db2.gz SSWWUATUKUSLMK-RKIKPYJTSA-N 2 0 764.929 -0.774 1 0 KBAFRP CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000095539514 562755068 /nfs/dbraw/zinc/75/50/68/562755068.db2.gz VFHJLZNBVXEKSO-KHDOVFMSSA-N 2 0 769.949 -0.489 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000095541378 562756028 /nfs/dbraw/zinc/75/60/28/562756028.db2.gz ZEZHSLWWPOEWOT-NRQMHRBESA-N 2 0 769.908 -0.199 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000095544114 562757628 /nfs/dbraw/zinc/75/76/28/562757628.db2.gz ZEZHSLWWPOEWOT-YTSIGKGGSA-N 2 0 769.908 -0.199 1 0 KBAFRP C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)[O-] ZINC000095548893 562759581 /nfs/dbraw/zinc/75/95/81/562759581.db2.gz DEMLSEPLVMKBHZ-KSEFBTEXSA-N 2 0 803.966 -0.293 1 0 KBAFRP NC(=[NH2+])NC[C@H](N)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000095552502 562760646 /nfs/dbraw/zinc/76/06/46/562760646.db2.gz JSWZEGIDHABQNB-SDHOMARFSA-N 2 0 586.701 -0.524 1 0 KBAFRP C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)N1CCCN1C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000095553626 562760981 /nfs/dbraw/zinc/76/09/81/562760981.db2.gz AKLWZCFAFVCJDE-FAFCAGHDSA-N 2 0 784.923 -0.138 1 0 KBAFRP CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(C)=O)C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000095554700 562761407 /nfs/dbraw/zinc/76/14/07/562761407.db2.gz PLVLNQXPBPJKEB-ORYMTKCHSA-N 2 0 808.942 -0.337 1 0 KBAFRP [NH3+]CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000095562537 562763737 /nfs/dbraw/zinc/76/37/37/562763737.db2.gz LWDJBNSGYIFFLN-ZJZGAYNASA-N 2 0 540.665 -0.184 1 0 KBAFRP [NH3+]CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])C(=O)[O-] ZINC000095562538 562763708 /nfs/dbraw/zinc/76/37/08/562763708.db2.gz LWDJBNSGYIFFLN-KIHHCIJBSA-N 2 0 540.665 -0.184 1 0 KBAFRP [NH3+]CCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000095562539 562763719 /nfs/dbraw/zinc/76/37/19/562763719.db2.gz LWDJBNSGYIFFLN-XQUALCHDSA-N 2 0 540.665 -0.184 1 0 KBAFRP [NH3+]CCC[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)[O-] ZINC000095562540 562763735 /nfs/dbraw/zinc/76/37/35/562763735.db2.gz LWDJBNSGYIFFLN-KEZOAJOQSA-N 2 0 540.665 -0.184 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)C2(CC[NH2+]CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000095564842 562764447 /nfs/dbraw/zinc/76/44/47/562764447.db2.gz OEJRASGAKSKQGZ-YTCPBCGMSA-N 2 0 699.813 -0.584 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)C2(CCN(C(N)=[NH2+])CC2)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000095564921 562764526 /nfs/dbraw/zinc/76/45/26/562764526.db2.gz FMJQTLSARTXFHJ-YTCPBCGMSA-N 2 0 741.854 -0.978 1 0 KBAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCC[NH3+])C(N)=O)C1=O ZINC000095574044 562769890 /nfs/dbraw/zinc/76/98/90/562769890.db2.gz ULEAONYLHPWGFF-PUHABZHSSA-N 2 0 652.797 -0.135 1 0 KBAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H]1Cc2ccccc2CN([C@@H](CCCC[NH3+])C(N)=O)C1=O ZINC000095575662 562770355 /nfs/dbraw/zinc/77/03/55/562770355.db2.gz RGAXFJCJARXKLB-PUHABZHSSA-N 3 0 651.813 -0.320 1 0 KBAFRP NC(=O)C[C@H](NC(=O)Cc1c[nH]c2cccc(O)c12)C(=O)NCCCCCNC(=O)CC[NH2+]CCCC[NH2+]CCC[NH3+] ZINC000095576368 562770609 /nfs/dbraw/zinc/77/06/09/562770609.db2.gz ZBWQBTGXGZUFNG-QHCPKHFHSA-N 3 0 588.754 -0.123 1 0 KBAFRP CC(C)C[C@@H]1NC(=O)CN(Cc2cccc3ccccc32)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CN(CCCNC(N)=[NH2+])NC(=O)[C@H](CC(C)C)NC1=O ZINC000095576959 562770778 /nfs/dbraw/zinc/77/07/78/562770778.db2.gz AWLWGDTXDCKYFB-DTXPUJKBSA-N 2 0 765.965 -0.297 1 0 KBAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCC[NH3+])C(N)=O ZINC000095576960 562770816 /nfs/dbraw/zinc/77/08/16/562770816.db2.gz BSLACUCHGUNMHO-PUHABZHSSA-N 2 0 654.813 -0.019 1 0 KBAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@@H](CCCC[NH3+])C(N)=O ZINC000095576979 562770801 /nfs/dbraw/zinc/77/08/01/562770801.db2.gz HNWCOJUBQHCOIS-PUHABZHSSA-N 3 0 653.829 -0.204 1 0 KBAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000095577495 562770988 /nfs/dbraw/zinc/77/09/88/562770988.db2.gz DFCGTTADNVLUFU-NFGXINMFSA-N 2 0 640.786 -0.361 1 0 KBAFRP NC(=[NH2+])NCCCCNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCC[NH3+])NC(=O)Cc1ccccc1 ZINC000095592068 562775803 /nfs/dbraw/zinc/77/58/03/562775803.db2.gz GAAXQGFGBVZQKJ-SFTDATJTSA-N 3 0 504.680 -0.164 1 0 KBAFRP NC(=[NH2+])NCC[C@@H](N)C(=O)NCCCCCCCC[NH2+]CCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1 ZINC000095593136 562776149 /nfs/dbraw/zinc/77/61/49/562776149.db2.gz XHXWNLOWNLQCBY-RPWUZVMVSA-N 2 0 605.785 -0.562 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCCCC[NH2+]CCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O ZINC000095593945 562776369 /nfs/dbraw/zinc/77/63/69/562776369.db2.gz YKEFMYZTQUPHTQ-ZEQRLZLVSA-N 3 0 635.811 -0.466 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCCCCCCCCC[NH2+]CCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O ZINC000095594612 562776517 /nfs/dbraw/zinc/77/65/17/562776517.db2.gz XGBGASALZVXTHW-ZEQRLZLVSA-N 3 0 635.811 -0.466 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCCCCCCCC[NH2+]CCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O ZINC000095594827 562776535 /nfs/dbraw/zinc/77/65/35/562776535.db2.gz JHBPFTXJBKFTTD-ZEQRLZLVSA-N 3 0 635.811 -0.466 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCCCCCC[NH2+]CCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O ZINC000095595064 562776639 /nfs/dbraw/zinc/77/66/39/562776639.db2.gz WCAYMJJRQCAKEU-ZEQRLZLVSA-N 3 0 635.811 -0.466 1 0 KBAFRP NC(=[NH2+])NCC[C@@H](N)C(=O)NCCCCCCCC[NH2+]CCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccccc1O ZINC000095595675 562776802 /nfs/dbraw/zinc/77/68/02/562776802.db2.gz PCGUTNAWSQKDAL-PKTZIBPZSA-N 2 0 605.785 -0.562 1 0 KBAFRP NC(=[NH2+])NCC[C@@H](N)C(=O)NCCCCC[NH2+]CCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccccc1O ZINC000095595834 562776831 /nfs/dbraw/zinc/77/68/31/562776831.db2.gz BLGJHYARCHZBSE-PKTZIBPZSA-N 2 0 605.785 -0.562 1 0 KBAFRP NC(=[NH2+])NCC[C@@H](N)C(=O)NCCCCC[NH2+]CCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccccc1 ZINC000095595983 562776896 /nfs/dbraw/zinc/77/68/96/562776896.db2.gz JQXCSODNABPIMB-RPWUZVMVSA-N 2 0 589.786 -0.267 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCCCCC[NH2+]CCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O ZINC000095596129 562776873 /nfs/dbraw/zinc/77/68/73/562776873.db2.gz QUIDUYNONCGJJB-ZEQRLZLVSA-N 3 0 635.811 -0.466 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCCC[NH2+]CCCCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O ZINC000095596142 562776885 /nfs/dbraw/zinc/77/68/85/562776885.db2.gz QRAQEDVFYQNBFW-ZEQRLZLVSA-N 3 0 635.811 -0.466 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)NCCCCCCC[NH2+]CCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O ZINC000095596617 562777026 /nfs/dbraw/zinc/77/70/26/562777026.db2.gz RNOUIDKUCKQSAJ-ZEQRLZLVSA-N 3 0 635.811 -0.466 1 0 KBAFRP NC(=[NH2+])NCC[C@@H](N)C(=O)NCCCCCCCC[NH2+]CCCCNC(=O)CNC(=O)Cc1ccc(O)cc1O ZINC000095597098 562777153 /nfs/dbraw/zinc/77/71/53/562777153.db2.gz MSZPDQXDEPKPTE-JOCHJYFZSA-N 2 0 564.732 -0.100 1 0 KBAFRP NC(=[NH2+])NCC[C@@H](N)C(=O)NCCCCC[NH2+]CCCCCCCNC(=O)[C@H](CC(N)=O)NC(=O)Cc1ccc(O)cc1 ZINC000095597382 562777268 /nfs/dbraw/zinc/77/72/68/562777268.db2.gz FWWBBCPJXPFKHV-RPWUZVMVSA-N 2 0 605.785 -0.562 1 0 KBAFRP NC(=[NH2+])NCC[C@@H](N)C(=O)NCCCCC[NH2+]CCCCCCCNC(=O)CNC(=O)Cc1ccc(O)cc1O ZINC000095598084 562777328 /nfs/dbraw/zinc/77/73/28/562777328.db2.gz VOHSSMWQBGZEPJ-JOCHJYFZSA-N 2 0 564.732 -0.100 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000095606965 562782540 /nfs/dbraw/zinc/78/25/40/562782540.db2.gz ZEZHSLWWPOEWOT-KVUXJRKHSA-N 2 0 769.908 -0.199 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccc(O)cc2)NC1=O ZINC000095613076 562786076 /nfs/dbraw/zinc/78/60/76/562786076.db2.gz ZEZHSLWWPOEWOT-WTOCPUKLSA-N 2 0 769.908 -0.199 1 0 KBAFRP NC(=[NH2+])c1ccc(CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1 ZINC000096168445 562790680 /nfs/dbraw/zinc/79/06/80/562790680.db2.gz JRGYHLAOYQDMNM-LEWJYISDSA-N 2 0 518.640 -0.319 1 0 KBAFRP COCCOCCC(=O)N[C@@H](C[NH3+])C(=O)Nc1cccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000096175803 562792054 /nfs/dbraw/zinc/79/20/54/562792054.db2.gz SJZXUJLTUJYLOE-NSOVKSMOSA-N 3 0 688.852 -0.117 1 0 KBAFRP CSCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CCC[NH3+])C(N)=O ZINC000096902692 562797612 /nfs/dbraw/zinc/79/76/12/562797612.db2.gz HPOCYHUDQWANBX-RULDIGERSA-N 2 0 726.945 -0.122 1 0 KBAFRP CC(C)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC[NH2+]Cc1ccccc1)[NH2+]Cc1ccccc1)[C@@H](C)O)C(=O)N[C@H](C(N)=O)[C@H](C)O ZINC000096904297 562798277 /nfs/dbraw/zinc/79/82/77/562798277.db2.gz MYOLLYYRYHDALB-FVTOMOMYSA-N 2 0 669.824 -0.812 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1cncn1CCCC1CCCCC1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000096913570 562800295 /nfs/dbraw/zinc/80/02/95/562800295.db2.gz IMBMLTKQRYUORJ-FKBYEOEOSA-N 3 0 590.778 -0.905 1 0 KBAFRP CCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)[C@@H](C)CC ZINC000096915688 562801065 /nfs/dbraw/zinc/80/10/65/562801065.db2.gz KBECAIVPZFSWQG-JFZIVLOISA-N 2 0 546.717 -0.004 1 0 KBAFRP CC(C)C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CCCNC(N(C)C)=[NH+]CCC[C@@H](C(N)=O)NC1=O ZINC000096924174 562802243 /nfs/dbraw/zinc/80/22/43/562802243.db2.gz WFXZXRWRRTWJEK-LUKCZKMGSA-N 2 0 778.956 -0.827 1 0 KBAFRP CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=C2SC(=O)N(CCO)C2=O)cc1)C(N)=O ZINC000096938510 562804528 /nfs/dbraw/zinc/80/45/28/562804528.db2.gz YDDWEGMOSAZUNS-SKHVONHGSA-N 2 0 689.840 -0.149 1 0 KBAFRP CC(C)C(=O)Nc1nc2c(ncn2[C@H]2C[C@H](OC(=O)NCC[NH+](C)C)[C@@H](COC(=O)NCC[NH+](C)C)O2)c(=O)[nH]1 ZINC000103272026 562823077 /nfs/dbraw/zinc/82/30/77/562823077.db2.gz YCFDKSRNGLYCRH-GVDBMIGSSA-N 2 0 565.632 -0.054 1 0 KBAFRP CCOC(=O)c1ccc(CCOC(=O)N[C@H](CC2CCN(C(N)=[NH2+])CC2)C(=O)NCC(=O)N[C@H]2CCCN(C(N)=[NH2+])[C@H]2O)cc1 ZINC000140917859 562833385 /nfs/dbraw/zinc/83/33/85/562833385.db2.gz BBBPQQFJGKHFAT-FBLLAGFSSA-N 2 0 631.735 -0.595 1 0 KBAFRP CSC1=[NH+]CCC[C@@H](C(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)CCCN1 ZINC000150553305 562844649 /nfs/dbraw/zinc/84/46/49/562844649.db2.gz GAWSKCFDFOOTLJ-YSLHKSLUSA-N 2 0 781.981 -0.026 1 0 KBAFRP CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000150593349 562846394 /nfs/dbraw/zinc/84/63/94/562846394.db2.gz ZIAHPAVCWUDVJB-YNAZAZDCSA-N 2 0 703.890 -0.801 1 0 KBAFRP NC(=[NH2+])c1cccc(C[C@H](NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)C(=O)N2CCC(NC(N)=O)CC2)c1 ZINC000169323432 562857066 /nfs/dbraw/zinc/85/70/66/562857066.db2.gz OKCWKUMPXRLIBU-NRFANRHFSA-N 2 0 558.665 -0.193 1 0 KBAFRP CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NCC[NH+](C)C)C(=O)NCC[NH+](C)C)cc1 ZINC000169324151 562857276 /nfs/dbraw/zinc/85/72/76/562857276.db2.gz VABHPAHJBWSROA-NRFANRHFSA-N 2 0 594.725 -0.545 1 0 KBAFRP CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]cn1)NC(C)=O)C(N)=O ZINC000169328359 562858322 /nfs/dbraw/zinc/85/83/22/562858322.db2.gz MJOBRIQZHYBCLQ-QKUYTOGTSA-N 2 0 805.041 -0.181 1 0 KBAFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC000169330524 562858679 /nfs/dbraw/zinc/85/86/79/562858679.db2.gz WCPQABXWUBAMIW-ZJZGAYNASA-N 2 0 580.690 -0.786 1 0 KBAFRP CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000169335884 562859735 /nfs/dbraw/zinc/85/97/35/562859735.db2.gz ZUKXHHUJHDEOOA-VABKMULXSA-N 2 0 656.793 -0.342 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c(-c2ccccc2)n1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1ccccc1 ZINC000169341632 562860854 /nfs/dbraw/zinc/86/08/54/562860854.db2.gz DTIIWHMCXGNGRT-SDHOMARFSA-N 2 0 632.774 -0.241 1 0 KBAFRP COc1ccc(-c2nc(C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc3ccccc3)c[nH]2)cc1 ZINC000169341640 562860860 /nfs/dbraw/zinc/86/08/60/562860860.db2.gz QTMXMSUFWLQRSG-GSDHBNRESA-N 2 0 662.800 -0.232 1 0 KBAFRP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c(-c2ccc(C(C)(C)C)cc2)n1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+] ZINC000169341655 562860924 /nfs/dbraw/zinc/86/09/24/562860924.db2.gz JZTZQSMTXHFFNI-FKBYEOEOSA-N 3 0 613.768 -0.087 1 0 KBAFRP CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349461 562862554 /nfs/dbraw/zinc/86/25/54/562862554.db2.gz PHPBSUCWKAPUKN-ASDGIDEWSA-N 2 0 917.592 -0.348 1 0 KBAFRP CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccc(I)cc1)C(N)=O ZINC000169349470 562862571 /nfs/dbraw/zinc/86/25/71/562862571.db2.gz XNNYSCVYNQVQJY-ASDGIDEWSA-N 2 0 826.141 -0.299 1 0 KBAFRP CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349500 562862605 /nfs/dbraw/zinc/86/26/05/562862605.db2.gz OSEXSABCCQOXJC-ZVBOOHQUSA-N 2 0 784.660 -0.024 1 0 KBAFRP CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349501 562862591 /nfs/dbraw/zinc/86/25/91/562862591.db2.gz OSEXSABCCQOXJC-PUHABZHSSA-N 2 0 784.660 -0.024 1 0 KBAFRP CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349507 562862598 /nfs/dbraw/zinc/86/25/98/562862598.db2.gz IOJFRQGJPQUOBZ-GWMMUDDPSA-N 2 0 803.707 -0.727 1 0 KBAFRP CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349752 562862738 /nfs/dbraw/zinc/86/27/38/562862738.db2.gz ZEERQGKZPWTLQI-GWMMUDDPSA-N 2 0 712.256 -0.678 1 0 KBAFRP COCCOCCNC(=O)CCC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)CC1 ZINC000201482616 562873486 /nfs/dbraw/zinc/87/34/86/562873486.db2.gz YPXMUVBMSOSXCE-MHZLTWQESA-N 2 0 702.835 -0.622 1 0 KBAFRP C[NH2+][C@H](C)[C@H]1CC[C@H]([NH3+])[C@@H](O[C@@H]2[C@H]([NH3+])C[C@@H](NC(=O)OC[C@@H]3c4ccccc4-c4ccc(S(=O)(=O)[O-])cc43)[C@@H](O[C@H]3OC[C@](C)(O)[C@H]([NH2+]C)[C@@H]3O)[C@@H]2O)O1 ZINC000253647402 562882603 /nfs/dbraw/zinc/88/26/03/562882603.db2.gz SUYQBHMHGJMLRF-AWJFLWJHSA-N 3 0 779.910 -0.501 1 0 KBAFRP C[NH2+][C@H](C)[C@H]1CC[C@H]([NH3+])[C@@H](O[C@@H]2[C@H]([NH3+])C[C@@H](NC(=O)OC[C@@H]3c4ccccc4-c4ccc(S(=O)(=O)[O-])cc43)[C@@H](O[C@H]3OC[C@](C)(O)[C@@H]([NH2+]C)[C@@H]3O)[C@@H]2O)O1 ZINC000253647403 562882601 /nfs/dbraw/zinc/88/26/01/562882601.db2.gz SUYQBHMHGJMLRF-DBAZGPRRSA-N 3 0 779.910 -0.501 1 0 KBAFRP C[NH2+][C@H](C)[C@H]1CC[C@H]([NH3+])[C@@H](O[C@@H]2[C@H]([NH3+])C[C@@H](NC(=O)OC[C@@H]3c4ccccc4-c4ccc(S(=O)(=O)[O-])cc43)[C@H](O[C@H]3OC[C@](C)(O)[C@@H]([NH2+]C)[C@@H]3O)[C@@H]2O)O1 ZINC000253647404 562882602 /nfs/dbraw/zinc/88/26/02/562882602.db2.gz SUYQBHMHGJMLRF-VDZRITHHSA-N 3 0 779.910 -0.501 1 0 KBAFRP C[NH2+][C@H](C)[C@H]1CC[C@H]([NH3+])[C@@H](O[C@@H]2[C@H]([NH3+])C[C@@H](NC(=O)OC[C@@H]3c4ccccc4-c4ccc(S(=O)(=O)[O-])cc43)[C@H](O[C@H]3OC[C@](C)(O)[C@H]([NH2+]C)[C@@H]3O)[C@@H]2O)O1 ZINC000253647405 562882612 /nfs/dbraw/zinc/88/26/12/562882612.db2.gz SUYQBHMHGJMLRF-YNHLOCTASA-N 3 0 779.910 -0.501 1 0 KBAFRP C[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC[C@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@H]1CC[C@@]2(O)[C@H]4Cc6ccc(O)c7c6[C@@]2(CC[N@H+]4C)[C@H]1O7)[C@@H]3O5 ZINC000299823577 562882912 /nfs/dbraw/zinc/88/29/12/562882912.db2.gz RCPCDUXOVQUCRE-KKQGWIDKSA-N 2 0 800.910 -0.652 1 0 KBAFRP C[NH+]1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@@]2(O)CC[C@@H](NC(=O)CNC(=O)CCC(=O)NCC(=O)N[C@@H]1CC[C@]2(O)[C@H]4Cc6ccc(O)c7c6[C@@]2(CC[N@H+]4C)[C@@H]1O7)[C@H]3O5 ZINC000299823581 562882949 /nfs/dbraw/zinc/88/29/49/562882949.db2.gz RCPCDUXOVQUCRE-POQSWIGPSA-N 2 0 800.910 -0.652 1 0 KBAFRP CC(C)(C)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccccc1)C(N)=O ZINC000299825502 562883562 /nfs/dbraw/zinc/88/35/62/562883562.db2.gz YOQXKLPOTHGQPY-GBESFXJTSA-N 2 0 518.663 -0.322 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000299828147 562884355 /nfs/dbraw/zinc/88/43/55/562884355.db2.gz GYOUUFBTNKLMDK-BIHRQFPBSA-N 3 0 738.876 -0.999 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]1NC(=O)CCCNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O ZINC000299832622 562885861 /nfs/dbraw/zinc/88/58/61/562885861.db2.gz QDOWGHMQGZINPC-VJBWXMMDSA-N 2 0 594.721 -0.727 1 0 KBAFRP CC(=O)Nc1cn(C)c(C(=O)Nc2cc(C(=O)NCCC(=O)Nc3cn(C)c(C(=O)Nc4cc(C(=O)NCCC(=O)NCCC[N@H+](C)CCC[NH3+])n(C)c4)n3)n(C)c2)n1 ZINC000299834841 562886572 /nfs/dbraw/zinc/88/65/72/562886572.db2.gz ZTAXBLHHACBQON-UHFFFAOYSA-N 2 0 819.929 -0.041 1 0 KBAFRP C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000299835166 562886769 /nfs/dbraw/zinc/88/67/69/562886769.db2.gz LWSARCPBFHBSFR-NWZJSZKRSA-N 3 0 681.824 -0.245 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@@H]2SC[C@H](NC(=O)CNC(N)=[NH2+])C(=O)N21 ZINC000299835986 562886999 /nfs/dbraw/zinc/88/69/99/562886999.db2.gz XLFXGMWRVFGFJJ-ONTIZHBOSA-N 2 0 553.693 -0.274 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]1C(=O)N(CCc2ccc3ccccc3c2)C[C@H]2SC[C@@H](NC(=O)CNC(N)=[NH2+])C(=O)N21 ZINC000299835988 562886980 /nfs/dbraw/zinc/88/69/80/562886980.db2.gz XLFXGMWRVFGFJJ-RZUBCFFCSA-N 2 0 553.693 -0.274 1 0 KBAFRP CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1 ZINC000299838420 562887855 /nfs/dbraw/zinc/88/78/55/562887855.db2.gz QNGSZDJLWYVTQN-MLCQCVOFSA-N 2 0 661.834 -0.311 1 0 KBAFRP CC(=O)N[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1)[C@@H](C)O ZINC000299840368 562888521 /nfs/dbraw/zinc/88/85/21/562888521.db2.gz VFNBZASFQVJNJZ-GVVDHYSOSA-N 2 0 625.797 -0.896 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000299841272 562888765 /nfs/dbraw/zinc/88/87/65/562888765.db2.gz YXFPBFNFMATBRQ-BIHRQFPBSA-N 2 0 722.877 -0.705 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)c1 ZINC000299857312 562892210 /nfs/dbraw/zinc/89/22/10/562892210.db2.gz MVRGBNYVHSINAW-OEMFJLHTSA-N 3 0 634.746 -0.729 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)c1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])c1)C(N)=O ZINC000299857313 562892200 /nfs/dbraw/zinc/89/22/00/562892200.db2.gz MVRGBNYVHSINAW-QPTUXGOLSA-N 3 0 634.746 -0.729 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H](NC(=O)c1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])c1)C(N)=O ZINC000299857314 562892193 /nfs/dbraw/zinc/89/21/93/562892193.db2.gz MVRGBNYVHSINAW-QTJGBDASSA-N 3 0 634.746 -0.729 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O)c1 ZINC000299857315 562892203 /nfs/dbraw/zinc/89/22/03/562892203.db2.gz MVRGBNYVHSINAW-XWGVYQGASA-N 3 0 634.746 -0.729 1 0 KBAFRP NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC000299859297 562892687 /nfs/dbraw/zinc/89/26/87/562892687.db2.gz WRZUYBFSKCEYEK-JRHULHRVSA-N 4 0 772.952 -0.307 1 0 KBAFRP NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC000299859298 562892664 /nfs/dbraw/zinc/89/26/64/562892664.db2.gz WRZUYBFSKCEYEK-MAPGQBHESA-N 4 0 772.952 -0.307 1 0 KBAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC000299859299 562892694 /nfs/dbraw/zinc/89/26/94/562892694.db2.gz WRZUYBFSKCEYEK-VHFAWWBMSA-N 4 0 772.952 -0.307 1 0 KBAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+])c1 ZINC000299859300 562892672 /nfs/dbraw/zinc/89/26/72/562892672.db2.gz WRZUYBFSKCEYEK-WQKZBMBISA-N 4 0 772.952 -0.307 1 0 KBAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC000299859843 562892822 /nfs/dbraw/zinc/89/28/22/562892822.db2.gz YUGKODAPQRQKOP-BTYYIWBCSA-N 4 0 731.903 -0.597 1 0 KBAFRP NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC000299859848 562892816 /nfs/dbraw/zinc/89/28/16/562892816.db2.gz YUGKODAPQRQKOP-OTVXFJNRSA-N 4 0 731.903 -0.597 1 0 KBAFRP NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC000299859853 562892833 /nfs/dbraw/zinc/89/28/33/562892833.db2.gz YUGKODAPQRQKOP-QNARPTCLSA-N 4 0 731.903 -0.597 1 0 KBAFRP NC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC000299859859 562892838 /nfs/dbraw/zinc/89/28/38/562892838.db2.gz YUGKODAPQRQKOP-XAFFTLPBSA-N 4 0 731.903 -0.597 1 0 KBAFRP CC(C)C[C@@H](CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+] ZINC000299861058 562893086 /nfs/dbraw/zinc/89/30/86/562893086.db2.gz HPGGAFNAFQGXAT-CMOCDZPBSA-N 2 0 604.757 -0.942 1 0 KBAFRP CC(C)C[C@@H](CC(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+] ZINC000299862101 562893501 /nfs/dbraw/zinc/89/35/01/562893501.db2.gz JEXKZQKJYGPADI-MLCQCVOFSA-N 2 0 618.784 -0.600 1 0 KBAFRP CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(N)=[NH2+])N(C)C(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000299864799 562894263 /nfs/dbraw/zinc/89/42/63/562894263.db2.gz MWSUUHVWISZULV-BLECARSGSA-N 2 0 717.917 -0.459 1 0 KBAFRP Cc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@H]1Cc2ccccc2CN(CCC(N)=O)C1=O ZINC000299869673 562895346 /nfs/dbraw/zinc/89/53/46/562895346.db2.gz VBTIGXSUDIFYPI-GVAUOCQISA-N 2 0 594.717 -0.428 1 0 KBAFRP CCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C=CC(N)=O)cc1)C(N)=O ZINC000377848799 562896393 /nfs/dbraw/zinc/89/63/93/562896393.db2.gz LUFVSXZSUFYOBW-UVTRZIHESA-N 2 0 587.726 -0.679 1 0 KBAFRP NC(=O)CN(C[C@H](CCCC[NH3+])NC(=O)CN(C[C@@H]([NH3+])Cc1ccccc1)S(=O)(=O)Cc1ccccc1)S(=O)(=O)CC[NH3+] ZINC000473112948 562898761 /nfs/dbraw/zinc/89/87/61/562898761.db2.gz GSAFCXPFXFSFOB-UIOOFZCWSA-N 3 0 639.845 -0.922 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])NC1=O ZINC000473119386 562899275 /nfs/dbraw/zinc/89/92/75/562899275.db2.gz AVNDVFCGYOONJV-GLZVIBFHSA-N 2 0 769.908 -0.199 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000473119391 562899273 /nfs/dbraw/zinc/89/92/73/562899273.db2.gz AVNDVFCGYOONJV-VYDZHMBASA-N 2 0 769.908 -0.199 1 0 KBAFRP NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O ZINC000473119394 562899276 /nfs/dbraw/zinc/89/92/76/562899276.db2.gz AVNDVFCGYOONJV-XDIGFQIYSA-N 2 0 769.908 -0.199 1 0 KBAFRP C[C@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCNC(N)=[NH2+])N(C)C(=O)[C@H](CCCNC(N)=[NH2+])NC1=O ZINC000473121146 562899375 /nfs/dbraw/zinc/89/93/75/562899375.db2.gz FQASEFAOSILIFE-JNRZVTKQSA-N 2 0 691.838 -0.785 1 0 KBAFRP C[C@@H]1C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1C ZINC000473126414 562899754 /nfs/dbraw/zinc/89/97/54/562899754.db2.gz SSWRRPCXMMBROH-NWMSTRDFSA-N 2 0 757.897 -0.343 1 0 KBAFRP C[C@H]1C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N1C ZINC000473126415 562899752 /nfs/dbraw/zinc/89/97/52/562899752.db2.gz SSWRRPCXMMBROH-SVDDKCDESA-N 2 0 757.897 -0.343 1 0 KBAFRP CC1(C)N(O)C(c2ccc(OCC(=O)NCCNC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])cc2)=[N+](O)C1(C)C ZINC000653729237 562909353 /nfs/dbraw/zinc/90/93/53/562909353.db2.gz MXVNWDOIAIHJME-DQEYMECFSA-N 3 0 668.776 -0.203 1 0 KBAFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc1cn(Cc2ccccc2)nn1 ZINC000653751526 562910678 /nfs/dbraw/zinc/91/06/78/562910678.db2.gz ILXZYRCNQCIQOQ-MYKRZTLLSA-N 3 0 686.826 -0.510 1 0 KBAFRP C[C@@H](O)[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2 ZINC000653787727 562912453 /nfs/dbraw/zinc/91/24/53/562912453.db2.gz LNCOWTPJQBZLQS-KWXSAKIRSA-N 2 0 776.856 -0.444 1 0 KBAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c1ccc(O)cc1 ZINC000653790953 562912664 /nfs/dbraw/zinc/91/26/64/562912664.db2.gz NWAUGSSYRXDZMQ-FKBYEOEOSA-N 2 0 554.652 -0.290 1 0 KBAFRP NC(=[NH2+])NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](C(N)=O)c1ccc(O)cc1 ZINC000653810897 562913834 /nfs/dbraw/zinc/91/38/34/562913834.db2.gz NWAUGSSYRXDZMQ-FDFHNCONSA-N 2 0 554.652 -0.290 1 0 KBAFRP C[C@@H](O)[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-])C(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2 ZINC000653811116 562913838 /nfs/dbraw/zinc/91/38/38/562913838.db2.gz NZVSNNKSPJBCRZ-DPOMANPBSA-N 2 0 776.856 -0.444 1 0 KBAFRP Cc1cc(O)c(C)c(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000653882808 562916859 /nfs/dbraw/zinc/91/68/59/562916859.db2.gz ASZIDYXNKKAYAC-NFGXINMFSA-N 3 0 653.829 -0.238 1 0 KBAFRP CCc1cc(O)cc(CC)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000653882875 562916840 /nfs/dbraw/zinc/91/68/40/562916840.db2.gz OQAPMWFSUGSEEU-FKWFRFQNSA-N 3 0 667.856 -0.039 1 0 KBAFRP CCc1cc(O)cc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(N)=O ZINC000653916069 562917894 /nfs/dbraw/zinc/91/78/94/562917894.db2.gz XMQDSJQOQLDSQQ-BPXGVECKSA-N 3 0 653.829 -0.293 1 0 KBAFRP O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCCn1cc(CN2CCC[NH2+]CCNCCC[NH2+]CC2)nn1 ZINC000653919129 562917981 /nfs/dbraw/zinc/91/79/81/562917981.db2.gz FSDOUMQARUQMLJ-LSQMVHIFSA-N 2 0 564.805 -0.125 1 0 KBAFRP