smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C(N)=O)N(Cc1ccccc1)C(=O)CN(CCc1ccccc1)C(=O)C[NH2+]CCCNC(N)=[NH2+] ZINC000013489136 561715577 /nfs/dbraw/zinc/71/55/77/561715577.db2.gz IUUYZOWKAYXWCN-UHFFFAOYSA-N 2 0 509.655 0.604 1 30 KCEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000014954653 561747137 /nfs/dbraw/zinc/74/71/37/561747137.db2.gz DSBAJYNIVIRLCB-ZLNRFVROSA-N 2 0 560.659 0.878 1 30 KCEFRP CCOC(=O)c1csc(C(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)[NH2+]C)n1 ZINC000014954670 561747161 /nfs/dbraw/zinc/74/71/61/561747161.db2.gz LPKAGHKXANUXHY-SBHAEUEKSA-N 2 0 571.704 0.863 1 30 KCEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(C(N)=O)cc2s1 ZINC000014954729 561747289 /nfs/dbraw/zinc/74/72/89/561747289.db2.gz BRWGCIHUFVUAFZ-BDTNDASRSA-N 2 0 592.726 0.938 1 30 KCEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccc(C(N)=O)cc2s1 ZINC000014954734 561747264 /nfs/dbraw/zinc/74/72/64/561747264.db2.gz BRWGCIHUFVUAFZ-VSKRKVRLSA-N 2 0 592.726 0.938 1 30 KCEFRP CC[N@H+](CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@@]2(C)[C@@H](O3)[C@@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])CC[C@@]12O ZINC000026181268 561771719 /nfs/dbraw/zinc/77/17/19/561771719.db2.gz DFXJFEUQSOCOQS-NOJWZRIWSA-N 3 0 514.671 0.458 1 30 KCEFRP CCC[C@@H](C[NH2+][C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC ZINC000026184939 561772381 /nfs/dbraw/zinc/77/23/81/561772381.db2.gz WKKVENFDVXPGQK-ZJZGAYNASA-N 2 0 590.770 0.657 1 30 KCEFRP CCC[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])[NH2+]C[C@H](Cc1ccccc1)NC(=O)OCC)C(=O)N[C@@H](CC(C)C)C(N)=O ZINC000026187593 561772868 /nfs/dbraw/zinc/77/28/68/561772868.db2.gz MKCIUGOFZQISAQ-ZJZGAYNASA-N 2 0 590.770 0.657 1 30 KCEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000026822824 561821453 /nfs/dbraw/zinc/82/14/53/561821453.db2.gz CYOWWXVXUCBAPM-PNJWGLBASA-N 2 0 560.659 0.038 1 30 KCEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2c(=O)[nH]1 ZINC000026822831 561821487 /nfs/dbraw/zinc/82/14/87/561821487.db2.gz CYOWWXVXUCBAPM-SNJCGAMXSA-N 2 0 560.659 0.038 1 30 KCEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)CC(=O)N21)C(=O)c1nccs1 ZINC000026953806 561829038 /nfs/dbraw/zinc/82/90/38/561829038.db2.gz CKOOAUGBMGMXTB-UDDWMFPDSA-N 2 0 593.714 0.117 1 30 KCEFRP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)CC(=O)N21)C(=O)c1nccs1 ZINC000026953821 561829017 /nfs/dbraw/zinc/82/90/17/561829017.db2.gz CKOOAUGBMGMXTB-BZNRXQDOSA-N 2 0 593.714 0.117 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000027407338 561855729 /nfs/dbraw/zinc/85/57/29/561855729.db2.gz RNHHMOFVNJWJCU-SJSXQSQASA-N 2 0 657.861 0.071 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000027410307 561856318 /nfs/dbraw/zinc/85/63/18/561856318.db2.gz VXNFSVKWGOKGTH-IIZANFQQSA-N 2 0 709.893 0.075 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000027410852 561856284 /nfs/dbraw/zinc/85/62/84/561856284.db2.gz IQSOREDSZMYXIN-OZDPOCAXSA-N 2 0 667.856 0.300 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000027413827 561856843 /nfs/dbraw/zinc/85/68/43/561856843.db2.gz FYIROCVNIDRXQR-KELSAIANSA-N 2 0 686.686 0.453 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](CC1CCCCC1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000027416989 561857185 /nfs/dbraw/zinc/85/71/85/561857185.db2.gz VFYQTOSDPSXXJT-KKASSDGMSA-N 2 0 675.851 0.210 1 30 KCEFRP NC(=[NH2+])NCCCCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NS(=O)(=O)c1ccc2ccccc2c1 ZINC000027552540 561868340 /nfs/dbraw/zinc/86/83/40/561868340.db2.gz BMNMKXIJMGHOID-GOTSBHOMSA-N 2 0 545.710 0.777 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+])C(=O)N[C@H](CCC[NH3+])C(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)NC(=O)C=Cc1ccccc1 ZINC000027554532 561869080 /nfs/dbraw/zinc/86/90/80/561869080.db2.gz XBAZNCPTDJBNNZ-NIZVRZHESA-N 3 0 695.841 0.345 1 30 KCEFRP NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\[C@@H](Cc2ccc3ccccc3c2)NC1=O ZINC000028474941 561927772 /nfs/dbraw/zinc/92/77/72/561927772.db2.gz HNDKSLSVZSSSIT-PZNYKHOMSA-N 2 0 698.829 0.156 1 30 KCEFRP NC(=[NH2+])NCCC[C@H]1NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)/C=C\[C@@H](Cc2ccc3ccccc3c2)NC1=O ZINC000028474944 561927722 /nfs/dbraw/zinc/92/77/22/561927722.db2.gz HNDKSLSVZSSSIT-MVWMGFIASA-N 2 0 698.829 0.156 1 30 KCEFRP NC(=[NH2+])NCCC[C@H]1NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](Cc2ccc3ccccc3c2)NC1=O ZINC000028476536 561928227 /nfs/dbraw/zinc/92/82/27/561928227.db2.gz MMACXAIBJOUIOH-FAPGNOQXSA-N 2 0 700.845 0.380 1 30 KCEFRP NC(=[NH2+])NCCC[C@H]1NC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CC[C@@H](Cc2ccc3ccccc3c2)NC1=O ZINC000028476539 561928249 /nfs/dbraw/zinc/92/82/49/561928249.db2.gz MMACXAIBJOUIOH-XQVPNCLKSA-N 2 0 700.845 0.380 1 30 KCEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000028477770 561928685 /nfs/dbraw/zinc/92/86/85/561928685.db2.gz GNPMQYLYNZDELX-MUFAAYGBSA-N 2 0 693.813 0.393 1 30 KCEFRP 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](C=O)Cc1ccc(NC(N)=[NH2+])cc1 ZINC000028565254 561936005 /nfs/dbraw/zinc/93/60/05/561936005.db2.gz KCBSONGMKLRTRU-DZUOILHNSA-N 3 0 707.881 0.569 1 30 KCEFRP CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+] ZINC000028565290 561936008 /nfs/dbraw/zinc/93/60/08/561936008.db2.gz RAYSHNJWQNUEGP-LJWNLINESA-N 2 0 678.839 0.398 1 30 KCEFRP 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](C=O)Cc1ccc(C#N)cc1 ZINC000028565432 561936154 /nfs/dbraw/zinc/93/61/54/561936154.db2.gz CYDFQDDUNDQZKI-KRCBVYEFSA-N 2 0 675.835 0.925 1 30 KCEFRP CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(N)=[NH2+] ZINC000028565499 561936151 /nfs/dbraw/zinc/93/61/51/561936151.db2.gz OQIFFKRZYYQPAI-QORCZRPOSA-N 2 0 600.765 0.317 1 30 KCEFRP 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](C=O)CCCC[NH3+] ZINC000028567751 561936852 /nfs/dbraw/zinc/93/68/52/561936852.db2.gz TUUPIFIZDIPPQM-CQJMVLFOSA-N 3 0 631.823 0.150 1 30 KCEFRP CCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+] ZINC000028567752 561936902 /nfs/dbraw/zinc/93/69/02/561936902.db2.gz XXTXKHDGRSJLCW-CQJMVLFOSA-N 3 0 631.823 0.150 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(C[NH3+])cc1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(N)=O ZINC000028572166 561939755 /nfs/dbraw/zinc/93/97/55/561939755.db2.gz KZPQNXCMGNWTCZ-HJOGWXRNSA-N 2 0 601.152 0.694 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)Cc1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(N)=O ZINC000028572167 561939762 /nfs/dbraw/zinc/93/97/62/561939762.db2.gz CAWJWFDWLBPNNZ-HJOGWXRNSA-N 2 0 643.193 0.470 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)CCCCNC(N)=[NH2+])C(=O)NCCc1cccc(Cl)c1 ZINC000028572259 561939907 /nfs/dbraw/zinc/93/99/07/561939907.db2.gz CXDPEXRBWQZOFD-SFTDATJTSA-N 2 0 566.151 0.512 1 30 KCEFRP Cc1cccc(C)c1C[C@H]([NH3+])C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c(C)cccc1C)C(=O)NCCC(N)=O ZINC000028755318 561955494 /nfs/dbraw/zinc/95/54/94/561955494.db2.gz OELGUIBMBJLJPS-NXCFDTQHSA-N 2 0 594.761 0.048 1 30 KCEFRP COc1ccc(CCNC(=O)C(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]2CCN3CC[C@@]([NH3+])(Cc4ccccc4)CN23)cc1 ZINC000028770692 561961291 /nfs/dbraw/zinc/96/12/91/561961291.db2.gz NAQFSYAUNUEGJW-ZBKIVJSUSA-N 2 0 592.745 0.097 1 30 KCEFRP Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)[C@@H]([NH3+])CS)cn3C)cn2C)cc1C(=O)NCCC(N)=[NH2+] ZINC000028964040 561984689 /nfs/dbraw/zinc/98/46/89/561984689.db2.gz XUIMSGPADXKKHK-INIZCTEOSA-N 2 0 556.653 0.458 1 30 KCEFRP CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+] ZINC000029331278 562013912 /nfs/dbraw/zinc/01/39/12/562013912.db2.gz QPQSHPSULBHAHP-XWGVYQGASA-N 2 0 611.748 0.551 1 30 KCEFRP CC(C)(C)OC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1cccc2ccccc21)C(=O)N[C@@H](C=O)CCCNC(N)=[NH2+] ZINC000029331283 562013825 /nfs/dbraw/zinc/01/38/25/562013825.db2.gz QPQSHPSULBHAHP-NHTMILBNSA-N 2 0 611.748 0.551 1 30 KCEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O ZINC000029335225 562014214 /nfs/dbraw/zinc/01/42/14/562014214.db2.gz ASHAWVLAICYFJY-OYDLWJJNSA-N 2 0 545.648 0.270 1 30 KCEFRP COC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000029340763 562015283 /nfs/dbraw/zinc/01/52/83/562015283.db2.gz NYKHQQQLELDHDI-TUSQITKMSA-N 2 0 560.659 0.958 1 30 KCEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1coc([C@H](Cc2ccc(F)cc2)NC(=O)C[NH3+])n1)C(N)=O ZINC000029400647 562019556 /nfs/dbraw/zinc/01/95/56/562019556.db2.gz GONGKTRLLOJHMI-FKBYEOEOSA-N 2 0 615.711 0.265 1 30 KCEFRP CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)C[n+]1ccccc1 ZINC000029409522 562021443 /nfs/dbraw/zinc/02/14/43/562021443.db2.gz WQGWVEZZZYOFGD-VXNXHJTFSA-O 2 0 542.705 0.548 1 30 KCEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC1CCCCC1)C(=O)C[n+]1ccccc1 ZINC000029409525 562021483 /nfs/dbraw/zinc/02/14/83/562021483.db2.gz OPAFSAIGUGANFR-FSSWDIPSSA-O 3 0 500.668 0.370 1 30 KCEFRP CCC(C)(C)c1ccc(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(=O)CCNC(N)=[NH2+])CC2)cc1 ZINC000034689219 562039645 /nfs/dbraw/zinc/03/96/45/562039645.db2.gz WVAPDSKWUGJHOT-DEOSSOPVSA-N 2 0 598.774 0.882 1 30 KCEFRP NC(=[NH2+])NCCCC1CCN(C(=O)[C@H](Cc2cccc(C(N)=[NH2+])c2)NS(=O)(=O)c2cccc(NC(=O)CC[NH3+])c2)CC1 ZINC000034717901 562040058 /nfs/dbraw/zinc/04/00/58/562040058.db2.gz NPESCRHIOZPAOX-DEOSSOPVSA-N 3 0 599.762 0.440 1 30 KCEFRP CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000036285544 562054202 /nfs/dbraw/zinc/05/42/02/562054202.db2.gz KLUZHUBQPREOSA-DSITVLBTSA-N 2 0 549.651 0.861 1 30 KCEFRP CNC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000036285614 562054304 /nfs/dbraw/zinc/05/43/04/562054304.db2.gz GXWODOLKOXXRLR-DSITVLBTSA-N 2 0 531.661 0.722 1 30 in-vivo KCEFRP CCCCCCCCCCCC[N@H+](C)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 ZINC000036352016 562059477 /nfs/dbraw/zinc/05/94/77/562059477.db2.gz NWLXVXHTKDOVCV-RUIBFPTKSA-N 2 0 570.728 0.828 1 30 KCEFRP CCCCCCCCCCCC[NH2+]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 ZINC000036352017 562059453 /nfs/dbraw/zinc/05/94/53/562059453.db2.gz IIIFQIZJQZULBZ-CGJGWCQRSA-N 2 0 556.701 0.486 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1cccc(CNC(N)=[NH2+])c1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(N)=O ZINC000036770595 562061416 /nfs/dbraw/zinc/06/14/16/562061416.db2.gz CYCOIDCSAHJYEA-HJOGWXRNSA-N 2 0 643.193 0.009 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CNC(N)=[NH2+])cc1)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(N)=O ZINC000036770597 562061467 /nfs/dbraw/zinc/06/14/67/562061467.db2.gz FGBSOUWNUJXOED-HJOGWXRNSA-N 2 0 643.193 0.009 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)c1ccc(CNC(N)=[NH2+])cc1Cl)C(=O)N[C@@H](Cc1cccc(Cl)c1)C(N)=O ZINC000036770599 562061457 /nfs/dbraw/zinc/06/14/57/562061457.db2.gz ALXSHOLDFKWXGP-HJOGWXRNSA-N 2 0 677.638 0.663 1 30 KCEFRP CCN(Cc1ccc(F)cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000040465758 562077147 /nfs/dbraw/zinc/07/71/47/562077147.db2.gz NAYZGJXNGBYGKH-FCHUYYIVSA-N 2 0 529.617 0.104 1 30 KCEFRP CCN(CCc1cccs1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000040466018 562077179 /nfs/dbraw/zinc/07/71/79/562077179.db2.gz FBCXBYZGMLVDRF-LEWJYISDSA-N 2 0 531.683 0.069 1 30 KCEFRP CCN(Cc1ccccc1F)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000040632164 562078596 /nfs/dbraw/zinc/07/85/96/562078596.db2.gz UQBJXCDBPYWPQO-FCHUYYIVSA-N 2 0 529.617 0.104 1 30 KCEFRP CC[N@H+](CC1CC1)[C@@H]1Cc2ccc(O)c3c2[C@@]2(C)[C@@H](O3)[C@@H](NC(=O)[C@H]([NH3+])CCCNC(N)=[NH2+])CC[C@@]12O ZINC000040676815 562078979 /nfs/dbraw/zinc/07/89/79/562078979.db2.gz DFXJFEUQSOCOQS-VLRVVWKISA-N 3 0 514.671 0.458 1 30 KCEFRP CCN(CCc1ccc(Br)cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000043322548 562647671 /nfs/dbraw/zinc/64/76/71/562647671.db2.gz QZAGOYBOKNPCDG-XZOQPEGZSA-N 2 0 604.550 0.770 1 30 KCEFRP CCN(CCc1ccc2ccccc2c1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+] ZINC000043322719 562647728 /nfs/dbraw/zinc/64/77/28/562647728.db2.gz RWQPFPCAJDRDAA-SXOMAYOGSA-N 2 0 617.755 0.476 1 30 KCEFRP CC[N@H+](CCNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000043322741 562647709 /nfs/dbraw/zinc/64/77/09/562647709.db2.gz VPRABELZONDESC-BJKOFHAPSA-N 3 0 556.668 0.389 1 30 KCEFRP CCN(Cc1ccc(-c2ccccc2)cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+] ZINC000043322769 562647715 /nfs/dbraw/zinc/64/77/15/562647715.db2.gz WYRNATDEANZDLW-IZLXSDGUSA-N 2 0 629.766 0.947 1 30 KCEFRP CCN(CCc1ccccc1C(F)(F)F)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+] ZINC000043322786 562647720 /nfs/dbraw/zinc/64/77/20/562647720.db2.gz JMDVQVYTTXZXBH-PKTZIBPZSA-N 2 0 635.692 0.341 1 30 KCEFRP CCN(CCc1ccccc1F)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000043322849 562647723 /nfs/dbraw/zinc/64/77/23/562647723.db2.gz BOITWTHSECFVMW-XZOQPEGZSA-N 2 0 543.644 0.147 1 30 KCEFRP CCN(CCCc1ccc([N+](=O)[O-])cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000043589896 562650085 /nfs/dbraw/zinc/65/00/85/562650085.db2.gz KOULWNLZFPSLQQ-BJKOFHAPSA-N 2 0 584.678 0.306 1 30 KCEFRP CCN(CCc1ccc(Cl)c(Cl)c1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+] ZINC000043628150 562650356 /nfs/dbraw/zinc/65/03/56/562650356.db2.gz DVORHAPBZLOTLV-PKTZIBPZSA-N 2 0 636.585 0.629 1 30 KCEFRP CCN(CCc1cccc2ccccc21)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+] ZINC000043628163 562650360 /nfs/dbraw/zinc/65/03/60/562650360.db2.gz RNHOKIVVZITYHY-SXOMAYOGSA-N 2 0 617.755 0.476 1 30 KCEFRP CCN(CCc1ccc(F)cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000043640940 562650389 /nfs/dbraw/zinc/65/03/89/562650389.db2.gz LOMXJWYRTJJFRB-XZOQPEGZSA-N 2 0 543.644 0.147 1 30 KCEFRP CCN(Cc1c(F)c(F)c(F)c(F)c1F)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000043641022 562650492 /nfs/dbraw/zinc/65/04/92/562650492.db2.gz GDFRKTPQGSEPLE-DLBZAZTESA-N 2 0 601.577 0.661 1 30 KCEFRP Cc1cc(NC(=O)O[C@@H]2C[C@H](Oc3ccc(NC(N)=[NH2+])cc3NC(N)=[NH2+])[C@@H](NC(N)=[NH2+])C[C@H]2NC(N)=[NH2+])ccc1F ZINC000044052915 562651890 /nfs/dbraw/zinc/65/18/90/562651890.db2.gz KSVIETPDDDPQAH-OGWHTMIXSA-N 4 0 571.622 0.187 1 30 KCEFRP Cc1ccc(C[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)c2ccccc2)C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])cc1 ZINC000044431304 562657817 /nfs/dbraw/zinc/65/78/17/562657817.db2.gz MQFNLAKHPJVMKM-SDHOMARFSA-N 2 0 551.692 0.897 1 30 KCEFRP CCN(C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)[C@H](Cc1ccc(Cl)c(Cl)c1)C(N)=O ZINC000049599729 562664978 /nfs/dbraw/zinc/66/49/78/562664978.db2.gz IYSVQPNESHVYMT-YTFSRNRJSA-N 2 0 637.569 0.169 1 30 KCEFRP NC(=[NH2+])NCCCCNC(=O)C=Cc1ccc2c(c1)[C@@H](C(=O)NCCCCNC(N)=[NH2+])[C@@H](c1ccc(O)cc1)O2 ZINC000049678671 562668593 /nfs/dbraw/zinc/66/85/93/562668593.db2.gz KVYNYRIOAYQBFK-JOEBSVEZSA-N 2 0 550.664 0.962 1 30 in-vitro KCEFRP NC(=[NH2+])NCCCCNC(=O)C=Cc1ccc2c(c1)[C@H](C(=O)NCCCCNC(N)=[NH2+])[C@H](c1ccc(O)cc1)O2 ZINC000049745147 562673726 /nfs/dbraw/zinc/67/37/26/562673726.db2.gz KVYNYRIOAYQBFK-BQWKQXPMSA-N 2 0 550.664 0.962 1 30 in-vitro KCEFRP CCN(CCc1ccc(Br)cc1)C(=O)CNC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)[C@H](Cc1ccc(O)cc1)NC(N)=[NH2+] ZINC000049802430 562685697 /nfs/dbraw/zinc/68/56/97/562685697.db2.gz FFNIAOJGERUJIZ-PKTZIBPZSA-N 2 0 646.591 0.085 1 30 KCEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1)C(=O)N[C@H](C=O)Cc1ccc(O)cc1 ZINC000049878379 562690571 /nfs/dbraw/zinc/69/05/71/562690571.db2.gz AYFTYWJUKFBCKV-XWGVYQGASA-N 2 0 553.664 0.294 1 30 KCEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 ZINC000049881663 562691025 /nfs/dbraw/zinc/69/10/25/562691025.db2.gz OMNZSYLQGGHPNS-HJOGWXRNSA-N 2 0 537.665 0.588 1 30 KCEFRP Cc1ccc(C[C@@H](C=O)NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)[C@H](CCCC[NH3+])NC(=O)c2ccccc2)cc1 ZINC000049881725 562691113 /nfs/dbraw/zinc/69/11/13/562691113.db2.gz LXRKZKAICCBBMF-SDHOMARFSA-N 2 0 551.692 0.897 1 30 KCEFRP Cc1ccc(S(=O)(=O)N(C(=O)[C@H](CCCC[NH3+])NC(=O)c2ccccc2)[C@@H](CCCC[NH3+])C(=O)N[C@H](C=O)CCCNC(N)=[NH2+])cc1 ZINC000049888854 562691523 /nfs/dbraw/zinc/69/15/23/562691523.db2.gz MNVPWYRZCMEISL-MYKRZTLLSA-N 3 0 672.853 0.884 1 30 KCEFRP NC(=[NH2+])NCCNC(=O)[C@H]1C[C@@H](OCc2ccc3ccccc3c2)CN1C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000049938233 562695149 /nfs/dbraw/zinc/69/51/49/562695149.db2.gz DNDWQJKQEQLRTQ-GOGZTAQTSA-N 2 0 639.761 0.736 1 30 KCEFRP 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](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)[O-] ZINC000049942431 562695516 /nfs/dbraw/zinc/69/55/16/562695516.db2.gz ARSFPGQEUGSXCS-LJWNLINESA-N 2 0 723.880 0.245 1 30 KCEFRP CN1C(=O)N(C)[C@]2(Oc3c(O)cc4c(c3C3=C2C(=O)c2c(CC[NH3+])c[nH]c2C3=O)[C@H](O)C[N+]4(C)C)C1=O ZINC000058580874 562699728 /nfs/dbraw/zinc/69/97/28/562699728.db2.gz YOXFPJITBOPKPN-YMXBGEKHSA-O 2 0 508.511 0.281 1 30 in-vivo KCEFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](Cc1c2ccccc2[nH]c1Sc1ncccc1[N+](=O)[O-])C(N)=O ZINC000071340808 562719849 /nfs/dbraw/zinc/71/98/49/562719849.db2.gz IHNRBROFCAVGEN-HOCLYGCPSA-N 2 0 513.584 0.516 1 30 KCEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)CCC(=O)N1CCCCC1 ZINC000084409960 562743073 /nfs/dbraw/zinc/74/30/73/562743073.db2.gz JGDZWFWOFXHEPP-VJBWXMMDSA-N 2 0 541.697 0.448 1 30 KCEFRP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)CCC(=O)N1CCCCC1 ZINC000084409961 562743064 /nfs/dbraw/zinc/74/30/64/562743064.db2.gz JGDZWFWOFXHEPP-ZLNRFVROSA-N 2 0 541.697 0.448 1 30 KCEFRP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1)C(=O)NCCSCCc1ccc([N+](=O)[O-])cc1 ZINC000095539913 562755356 /nfs/dbraw/zinc/75/53/56/562755356.db2.gz BVSQXKFPMHVBRD-FCHUYYIVSA-N 2 0 545.666 0.801 1 30 KCEFRP NC(=[NH2+])NCCC[C@H]1/C=C\[C@@H](Cc2ccc3ccccc3c2)C(=O)NCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1 ZINC000095607688 562782949 /nfs/dbraw/zinc/78/29/49/562782949.db2.gz QXRJXEXMBUYASJ-SLZVWDLOSA-N 2 0 712.856 0.404 1 30 KCEFRP C[NH2+]CC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N2CCC[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc3ccccc3)C(N)=O)C2)cs1 ZINC000095615356 562787253 /nfs/dbraw/zinc/78/72/53/562787253.db2.gz QENVXMAOMXRFLP-VNNZRSTGSA-N 2 0 750.902 0.505 1 30 KCEFRP C[NH2+]CC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N2CCC[C@@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc3ccccc3)C(N)=O)C2)cs1 ZINC000095615357 562787248 /nfs/dbraw/zinc/78/72/48/562787248.db2.gz QENVXMAOMXRFLP-DALQOBCZSA-N 2 0 750.902 0.505 1 30 KCEFRP COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc([C@@H](C[NH3+])N4CC[C@H]([NH3+])C4)cc3)NC(=O)NC1=O)C2 ZINC000096173533 562791435 /nfs/dbraw/zinc/79/14/35/562791435.db2.gz HNSMCDJIXYKFJL-ASHZAFPQSA-N 2 0 520.565 0.453 1 30 KCEFRP COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](C[NH3+])N4CC[C@H]([NH3+])C4)cc3)NC(=O)NC1=O)C2 ZINC000096173534 562791471 /nfs/dbraw/zinc/79/14/71/562791471.db2.gz HNSMCDJIXYKFJL-OWOAZTCBSA-N 2 0 520.565 0.453 1 30 KCEFRP COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@@H](C[NH3+])N4CC[C@H]([NH3+])C4)cc3)NC(=O)NC1=O)C2 ZINC000096173535 562791467 /nfs/dbraw/zinc/79/14/67/562791467.db2.gz RIICPUAERNETRR-HRRBBWQUSA-N 2 0 502.575 0.314 1 30 KCEFRP COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](C[NH3+])N4CC[C@H]([NH3+])C4)cc3)NC(=O)NC1=O)C2 ZINC000096173536 562791437 /nfs/dbraw/zinc/79/14/37/562791437.db2.gz RIICPUAERNETRR-XAJLNHFYSA-N 2 0 502.575 0.314 1 30 KCEFRP COc1cc(C=CC(=O)NCCCCNC(N)=[NH2+])cc2c1O[C@@H](c1ccc(O)cc1)[C@@H]2C(=O)NCCCCNC(N)=[NH2+] ZINC000137578473 571850783 /nfs/dbraw/zinc/85/07/83/571850783.db2.gz LRLXAXGCQUOKIO-AQIIPZLISA-N 2 0 580.690 0.971 1 30 endogenous,in-man KCEFRP NC(=[NH2+])NCCOCCOCC[NH2+][C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CC[N@@H+]3CC2CC2)[C@H]1O5 ZINC000141032120 562833469 /nfs/dbraw/zinc/83/34/69/562833469.db2.gz CXHDNHRZMFBUJN-XGTKUTNFSA-N 3 0 515.655 0.221 1 30 KCEFRP COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@@H](C[NH3+])N4CC[C@@H]([NH3+])C4)cc3)NC(=O)NC1=O)C2 ZINC000149600155 562842761 /nfs/dbraw/zinc/84/27/61/562842761.db2.gz RIICPUAERNETRR-SZEHJLNQSA-N 2 0 502.575 0.314 1 30 KCEFRP COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](C[NH3+])N4CC[C@@H]([NH3+])C4)cc3)NC(=O)NC1=O)C2 ZINC000149600368 562842732 /nfs/dbraw/zinc/84/27/32/562842732.db2.gz RIICPUAERNETRR-PCGJDWNTSA-N 2 0 502.575 0.314 1 30 KCEFRP COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc([C@@H](C[NH3+])N4CC[C@@H]([NH3+])C4)cc3)NC(=O)NC1=O)C2 ZINC000149600589 562842723 /nfs/dbraw/zinc/84/27/23/562842723.db2.gz HNSMCDJIXYKFJL-SEXOINJZSA-N 2 0 520.565 0.453 1 30 KCEFRP COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc([C@H](C[NH3+])N4CC[C@@H]([NH3+])C4)cc3)NC(=O)NC1=O)C2 ZINC000149600787 562842755 /nfs/dbraw/zinc/84/27/55/562842755.db2.gz HNSMCDJIXYKFJL-IOKPGSKQSA-N 2 0 520.565 0.453 1 30 KCEFRP NC(=[NH2+])NCCC[C@H]1/C=C\[C@H](Cc2ccc3ccccc3c2)C(=O)NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N1 ZINC000150546896 562844477 /nfs/dbraw/zinc/84/44/77/562844477.db2.gz WKOHTLYQCPIDRU-PEMJEHEQSA-N 2 0 698.829 0.997 1 30 KCEFRP NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH3+])CS ZINC000150590778 562846153 /nfs/dbraw/zinc/84/61/53/562846153.db2.gz YCUPKVAZCJGIOV-LXOXETEGSA-N 2 0 848.065 0.127 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cccs1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000161891897 562849224 /nfs/dbraw/zinc/84/92/24/562849224.db2.gz ATWPMNBULMFRAH-LJWNLINESA-N 2 0 765.917 0.415 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000162943542 562849309 /nfs/dbraw/zinc/84/93/09/562849309.db2.gz XESZVWNPVSBIQE-YDPTYEFTSA-N 2 0 798.925 0.835 1 30 KCEFRP CC(=O)N(C(=O)c1ccccc1N)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000169319181 562856185 /nfs/dbraw/zinc/85/61/85/562856185.db2.gz BLVZVTHWWDGOGV-YRCZKMHPSA-N 2 0 816.940 0.595 1 30 KCEFRP CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@H](CCCCNC(N)=[NH2+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000169319513 562856225 /nfs/dbraw/zinc/85/62/25/562856225.db2.gz CUBIEWVGKUFTEH-ZKFYBBGWSA-N 2 0 793.946 0.308 1 30 KCEFRP CC(=O)N(C(=O)C=Cc1ccccc1)[C@H](Cc1cccnc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000169319518 562856231 /nfs/dbraw/zinc/85/62/31/562856231.db2.gz LHAVZIYGGCIXME-XOXINDJLSA-N 2 0 810.961 0.669 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccsc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000169319863 562856302 /nfs/dbraw/zinc/85/63/02/562856302.db2.gz IKWXFAVHSMNFQT-DZUOILHNSA-N 2 0 765.917 0.816 1 30 KCEFRP CC(=O)N(C(=O)C=Cc1ccccc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000169319874 562856309 /nfs/dbraw/zinc/85/63/09/562856309.db2.gz HRHNLSTYTUIIIB-CNIRXJPISA-N 2 0 751.905 0.994 1 30 KCEFRP CC(=O)N(c1cccnc1)[C@@H](Cc1ccc(F)cc1)C(=O)N[C@@H](Cc1ccc(NC(N)=[NH2+])cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000169320129 562856359 /nfs/dbraw/zinc/85/63/59/562856359.db2.gz KHRXQCGUSNPFAT-YDPTYEFTSA-N 2 0 774.903 0.772 1 30 KCEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CS)NC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCCc1ccccc1 ZINC000169320164 562856352 /nfs/dbraw/zinc/85/63/52/562856352.db2.gz CMXWLTUCWOXICO-CHQNGUEUSA-N 2 0 730.940 0.956 1 30 KCEFRP CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(NC(N)=[NH2+])cc1)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccoc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(N)=O ZINC000169325883 562857670 /nfs/dbraw/zinc/85/76/70/562857670.db2.gz YAOFXIQXDLBIFI-DZUOILHNSA-N 2 0 749.849 0.347 1 30 KCEFRP CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000169326410 562857787 /nfs/dbraw/zinc/85/77/87/562857787.db2.gz VPAIFQNEJSNRQT-GSDHBNRESA-N 2 0 634.738 0.549 1 30 KCEFRP CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000169326413 562857808 /nfs/dbraw/zinc/85/78/08/562857808.db2.gz IXWGKXPCDUXVAZ-QKDODKLFSA-N 2 0 648.765 0.940 1 30 KCEFRP CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC000169328025 562858207 /nfs/dbraw/zinc/85/82/07/562858207.db2.gz BHFOSUXCVWWLDZ-QKDODKLFSA-N 2 0 648.765 0.940 1 30 KCEFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Nc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 ZINC000169725083 562871352 /nfs/dbraw/zinc/87/13/52/562871352.db2.gz DNICZPICBHCWNG-PUHATCMVSA-N 3 0 633.801 0.226 1 30 KCEFRP NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)Oc1ccc(Oc2ccc(S(=O)(=O)C[C@H]3CS3)cc2)cc1 ZINC000198955370 562872897 /nfs/dbraw/zinc/87/28/97/562872897.db2.gz KKEYXRCJOMIHJA-PUHATCMVSA-N 2 0 634.785 0.193 1 30 KCEFRP Cn1cc(C(=O)NCCC(N)=[NH2+])cc1NC(=O)c1cc(NC(=O)c2cccc(C(=O)NC3=C[N+](C)=C(C(=O)Nc4cc(C(=O)NCCC(N)=[NH2+])cn4C)C3)c2)cn1C ZINC000377844309 562896336 /nfs/dbraw/zinc/89/63/36/562896336.db2.gz VPMDFOPTLBEMCF-UHFFFAOYSA-O 3 0 793.870 0.258 1 30 KCEFRP C#CCN1C(=O)SC(=Cc2ccc(C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H](C(N)=O)c3ccccc3)cc2)C1=O ZINC000474607970 562905449 /nfs/dbraw/zinc/90/54/49/562905449.db2.gz KSMQTYLHXBPYCY-XEKMBJFWSA-N 2 0 703.826 0.674 1 30 KCEFRP C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc(CCCC[NH3+])nn3)CC2)n1 ZINC000008690250 561707642 /nfs/dbraw/zinc/70/76/42/561707642.db2.gz ZYNOJTPZMXEUCF-XCZPVHLTSA-N 2 0 671.848 0.612 3 30 KCEFRP C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CCCC[NH3+])n3cc([C@@H]([NH3+])[C@H](C)CC)nn3)CC2)n1 ZINC000072119089 562723839 /nfs/dbraw/zinc/72/38/39/562723839.db2.gz IGTBJBDWOLNHBV-FGUUHEIUSA-N 2 0 700.890 0.459 3 30 KCEFRP C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CCCC[NH3+])n3cc([C@@H]([NH3+])[C@@H](C)CC)nn3)CC2)n1 ZINC000072119090 562723822 /nfs/dbraw/zinc/72/38/22/562723822.db2.gz IGTBJBDWOLNHBV-ZXRKZBAXSA-N 2 0 700.890 0.459 3 30 KCEFRP C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](CCCC[NH3+])n3cc([C@@H]([NH3+])CC(C)C)nn3)CC2)n1 ZINC000072127655 562725748 /nfs/dbraw/zinc/72/57/48/562725748.db2.gz BWJVUHDRBLGESR-YTMVLYRLSA-N 2 0 700.890 0.459 3 30 KCEFRP