smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N=C(NC(N)=[NH2+])Nc1ccc2[nH]c3c(c2c1)C[C@@]1(O)[C@H]2Cc4ccc(O)c5c4[C@@]1(CC[N@@H+]2CC1CC1)[C@H]3O5 ZINC000013809253 561731738 /nfs/dbraw/zinc/73/17/38/561731738.db2.gz KAQDWUGWKGESIN-NYTHPKCISA-N 2 0 513.602 2.002 1 30 KEEFRP C[NH2+][C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1)C1CCCCC1 ZINC000014954485 561747017 /nfs/dbraw/zinc/74/70/17/561747017.db2.gz JRTPYDSQVTWARE-JAXLGGSGSA-N 2 0 541.722 2.177 1 30 KEEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000014954523 561747033 /nfs/dbraw/zinc/74/70/33/561747033.db2.gz WRJTZUWGNKJTID-ZRBLBEILSA-N 2 0 563.728 2.229 1 30 KEEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000014954527 561746936 /nfs/dbraw/zinc/74/69/36/561746936.db2.gz WRJTZUWGNKJTID-ZLNRFVROSA-N 2 0 563.728 2.229 1 30 KEEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@](C)(CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000014954532 561747013 /nfs/dbraw/zinc/74/70/13/561747013.db2.gz QIVIRMCXSHIRPU-BXOOBUKZSA-N 2 0 563.728 2.229 1 30 KEEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1 ZINC000014954536 561747009 /nfs/dbraw/zinc/74/70/09/561747009.db2.gz SJBXZIMBOVUXRR-VJBWXMMDSA-N 2 0 563.728 2.181 1 30 KEEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=[NH2+])Cc1nc2ccccc2s1 ZINC000014954587 561747151 /nfs/dbraw/zinc/74/71/51/561747151.db2.gz WQCJFMKHZOFRAR-WWNPGLIZSA-N 2 0 535.718 2.199 1 30 KEEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])Cc1nc2ccccc2s1 ZINC000014954591 561747155 /nfs/dbraw/zinc/74/71/55/561747155.db2.gz WQCJFMKHZOFRAR-MZYLBHOOSA-N 2 0 535.718 2.199 1 30 KEEFRP COCn1cc(NC(=O)c2cc(NC3=CC4=[NH+]CCc5cn(C)c(c54)C3=O)cn2COC)cc1C(=O)NCCC[NH+](C)C ZINC000026274705 561777862 /nfs/dbraw/zinc/77/78/62/561777862.db2.gz ZGRCONLVQKNBKO-UHFFFAOYSA-N 2 0 590.685 2.307 1 30 KEEFRP COC(=O)[C@@H](CCCNC(N)=[NH2+])NC(=O)CCNC(=O)CCCCCNC(=O)c1cccc(-c2c3cc(N)ccc3c3ccc(N)cc3[n+]2C)c1 ZINC000027326920 561853818 /nfs/dbraw/zinc/85/38/18/561853818.db2.gz RAFOQMYQNYZCSW-SSEXGKCCSA-O 2 0 698.849 2.157 1 30 KEEFRP C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1cc2ccccc2s1 ZINC000028116747 561903798 /nfs/dbraw/zinc/90/37/98/561903798.db2.gz KVEKZKVOVRZPMP-ZLNRFVROSA-N 2 0 548.713 2.444 1 30 KEEFRP C[NH2+][C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)c1nc2ccccc2s1)C1CCCCC1 ZINC000028116818 561903905 /nfs/dbraw/zinc/90/39/05/561903905.db2.gz JRTPYDSQVTWARE-RZUBCFFCSA-N 2 0 541.722 2.177 1 30 KEEFRP COC[C@H]1OC(=O)C(CN(CCC[NH+](C)C)CCC[NH+](C)C)=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@]21C ZINC000029134135 562003934 /nfs/dbraw/zinc/00/39/34/562003934.db2.gz MJGFRIGAWUDYJU-IHIZDZNISA-N 2 0 617.784 2.458 1 30 KEEFRP [NH3+]CCCC[C@H](NC(=O)[C@H](CO)NC(=O)Cc1ccc(C#Cc2ccc(C[NH3+])cc2)cc1)C(=O)NCCC1CCCCC1 ZINC000029220190 562007063 /nfs/dbraw/zinc/00/70/63/562007063.db2.gz WPCZYFNLQQNTON-CONSDPRKSA-N 2 0 589.781 2.265 1 30 KEEFRP [NH3+]CCCC[C@H](NC(=O)[C@H](CO)NC(=O)CCCCC#Cc1ccc(C[NH3+])cc1)C(=O)NCCC1CCCCC1 ZINC000029223374 562007587 /nfs/dbraw/zinc/00/75/87/562007587.db2.gz PVKXIGITMNHTHC-NSOVKSMOSA-N 2 0 555.764 2.235 1 30 KEEFRP C[NH2+]CC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)co1 ZINC000029400491 562019572 /nfs/dbraw/zinc/01/95/72/562019572.db2.gz NPCYUZXNBFVHBO-DTXPUJKBSA-N 2 0 719.863 2.357 1 30 KEEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1coc([C@H](Cc2ccc(F)cc2)NC(=O)C[NH3+])n1)C(=O)NCc1ccccc1 ZINC000029400643 562019638 /nfs/dbraw/zinc/01/96/38/562019638.db2.gz KZCXPKAOJWFJAB-AWCRTANDSA-N 2 0 705.836 2.096 1 30 KEEFRP C[NH2+]CC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)NCc2ccccc2)cs1 ZINC000029400900 562019747 /nfs/dbraw/zinc/01/97/47/562019747.db2.gz YCCYUFYUCTYKFB-DTXPUJKBSA-N 2 0 729.883 2.098 1 30 KEEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1coc([C@H](Cc2ccc(F)cc2)NC(=O)CC[NH3+])n1)C(=O)NCc1ccccc1 ZINC000029401954 562019939 /nfs/dbraw/zinc/01/99/39/562019939.db2.gz RDXLQXHFWJJCPJ-DTXPUJKBSA-N 2 0 719.863 2.486 1 30 KEEFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(=O)CNC(N)=[NH2+])CC2)c(C(C)C)c1 ZINC000034689220 562039653 /nfs/dbraw/zinc/03/96/53/562039653.db2.gz BTEJJFXSYIBEFP-MHZLTWQESA-N 2 0 640.855 2.175 1 30 KEEFRP CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](Cc2cccc(C(N)=[NH2+])c2)C(=O)N2CCN(C(=O)CNC(N)=[NH2+])CC2)c(C(C)C)c1 ZINC000034689221 562039666 /nfs/dbraw/zinc/03/96/66/562039666.db2.gz BTEJJFXSYIBEFP-HHHXNRCGSA-N 2 0 640.855 2.175 1 30 KEEFRP C=CC[N+](C)(CCN(C)C(=O)CN(C)C(=O)CN(C)C(=O)C[N+]1(CC=C)CCCCC1)Cc1ccccc1 ZINC000040741507 717127517 /nfs/dbraw/zinc/12/75/17/717127517.db2.gz UXNTVUCXKROUGZ-UHFFFAOYSA-N 2 0 527.754 2.381 1 30 KEEFRP N#CNC(=NCCCCCCCCN=C(NC#N)NCCSCc1csc(NC(N)=[NH2+])n1)NCCCSc1csc(NC(N)=[NH2+])n1 ZINC000049605281 562665632 /nfs/dbraw/zinc/66/56/32/562665632.db2.gz RBTQTPGWYRXNLO-UHFFFAOYSA-N 2 0 707.002 2.198 1 30 KEEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1)C(=O)N[C@H](C=O)Cc1ccc(OCc2ccccc2)cc1 ZINC000049889115 562691801 /nfs/dbraw/zinc/69/18/01/562691801.db2.gz IQBKNIALWAXJPO-ASVWTAOFSA-N 2 0 643.789 2.167 1 30 KEEFRP CCCC[C@H]([NH2+]Cc1ccccc1)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@H](C=O)Cc1c[nH]c2ccccc12 ZINC000049898731 562692794 /nfs/dbraw/zinc/69/27/94/562692794.db2.gz NYAQJRPYLFETNX-QJANCWQKSA-N 3 0 675.879 2.105 1 30 KEEFRP COc1cc(/C=C2\CN(C(=O)CCC(=O)NCCC[NH2+]CCC[NH3+])C/C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O ZINC000064539577 562707583 /nfs/dbraw/zinc/70/75/83/562707583.db2.gz HYEASIMVWUTRQL-DFEHQXHXSA-N 2 0 580.682 2.218 1 30 KEEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CCCCC1 ZINC000084521246 562743216 /nfs/dbraw/zinc/74/32/16/562743216.db2.gz PQMJEFKQZRCOBY-HEWUYBSCSA-N 2 0 617.795 2.037 1 30 KEEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CCCCC1 ZINC000084521247 562743212 /nfs/dbraw/zinc/74/32/12/562743212.db2.gz PQMJEFKQZRCOBY-NCZODNFJSA-N 2 0 617.795 2.037 1 30 KEEFRP NC(=[NH2+])NCCC[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]([NH3+])C(c1ccccc1)c1ccccc1)C(=O)CCC(=O)N1CCCCC1 ZINC000084521248 562743252 /nfs/dbraw/zinc/74/32/52/562743252.db2.gz PQMJEFKQZRCOBY-UFRMOSHKSA-N 2 0 617.795 2.037 1 30 KEEFRP C[C@@H]1[NH2+][C@H](C2CCC([C@@H]3C#CC[C@@H]4C[C@@](C)(CC[NH2+]4)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C3)CC2)CC[C@H]1O ZINC000085487992 291747551 /nfs/dbraw/zinc/74/75/51/291747551.db2.gz FJUBQRZWIZPFKT-RVQBOVAWSA-N 2 0 547.781 2.402 1 30 biogenic,in-vitro KEEFRP C[C@H]1[C@H](O)CC[C@H]2C[C@@H](CC[C@H]3C#CC[C@@H]4C[C@](C)(CC[NH2+]4)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C3)CC[N@H+]12 ZINC000085488031 560075842 /nfs/dbraw/zinc/07/58/42/560075842.db2.gz OBCAXVHZOCWMOQ-IYHKDOSGSA-N 2 0 547.781 2.499 1 30 biogenic,in-vitro KEEFRP C[C@@H]1[NH2+][C@H](CCCC[C@@H]2C#CC[C@@H]3C[C@@](C)(CC[NH2+]3)[NH2+]C[C@](O)(CC(=O)[O-])[C@H]3C=C[C@H](O)[C@H](C3)C2)CC[C@H]1O ZINC000085488045 560075949 /nfs/dbraw/zinc/07/59/49/560075949.db2.gz TUPLZZUPEZSIMC-MWYUULBMSA-N 2 0 545.765 2.321 1 30 biogenic,in-vitro KEEFRP C[C@@H]1[NH2+][C@H](CCCC[C@H]2C#CC[C@@H]3C[C@](C)(CC[NH2+]3)[NH2+]C[C@](O)(CC(=O)[O-])CC[C@H](CO)C2)CC[C@H]1O ZINC000085488061 560075913 /nfs/dbraw/zinc/07/59/13/560075913.db2.gz ODCKBMLVHNWLFD-HBRSXVCJSA-N 2 0 521.743 2.156 1 30 biogenic,in-vitro KEEFRP C[NH2+]C[C@H](CC[C@@H]1CC[C@@H](O)[C@H](C)[NH2+]1)C[C@@H]1C#CC[C@H]2C[C@](C)(CC[NH2+]2)[NH2+]C[C@](O)(CC(=O)[O-])CCCC1 ZINC000085488072 560075818 /nfs/dbraw/zinc/07/58/18/560075818.db2.gz JVLGLDKYOFLQDX-LRCYTAKESA-N 3 0 534.786 2.384 1 30 biogenic,in-vitro KEEFRP C[NH2+]COc1c2cc3c4c1O[C@H](O)[C@H](C4)[C@H](CNC(=[NH2+])NCC(C)C)CC#C[C@@H](C3)[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 ZINC000085626420 565160103 /nfs/dbraw/zinc/16/01/03/565160103.db2.gz PJKZUARUCUJSMP-JHDCIELPSA-N 2 0 672.823 2.429 1 30 biogenic,in-vitro KEEFRP C[NH2+]COc1c2cc(c3c1OC[C@@H](C[C@H]1CC[NH+]=C(N)N1)C3)CC[C@@H](O)CC(=O)CCc1ccc(O)c(OC)c1C#CC2 ZINC000085626558 291742266 /nfs/dbraw/zinc/74/22/66/291742266.db2.gz QBTOOCQJPOIJRZ-HQCZVFHSSA-N 2 0 590.721 2.367 1 30 biogenic,in-vitro KEEFRP CNC(=[NH2+])NC[C@]1([C@H](C)O)C#C[C@H]2CCC[C@]3(C[NH2+]C)C[C@H](CCN3)Oc3cc(ccc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085627915 565160747 /nfs/dbraw/zinc/16/07/47/565160747.db2.gz DPWLVVPWJZHFCW-GHIHAZMUSA-N 2 0 627.827 2.031 1 30 biogenic,in-vitro KEEFRP CC[C@@]1(CNC(=[NH2+])NC)C#C[C@H]2CCC[C@H]3C[C@@H](CC[NH2+]3)Oc3cc(c(C(O)O)cc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085627934 291739910 /nfs/dbraw/zinc/73/99/10/291739910.db2.gz JUCMSWMQFOAGGF-LEIWKCJKSA-N 2 0 614.784 2.454 1 30 biogenic,in-vitro KEEFRP CNC(=[NH2+])NC[C@@]1([C@H](C)O)C#C[C@H]2CCC[C@H]3C[C@@H](CC[NH2+]3)Oc3cc(ccc3O)C[C@@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085627954 560068707 /nfs/dbraw/zinc/06/87/07/560068707.db2.gz QTVWGBUDGRPRAV-CCLYSABYSA-N 2 0 584.758 2.441 1 30 biogenic,in-vitro KEEFRP CNC(=[NH2+])N[C@@H]1C=CCC[C@@]12C#CC[C@H](Cc1cc(OC3CC[NH2+]CC3)c(O)cc1CO)[C@@H](OC(C)=O)C[C@@H](O)CC2 ZINC000085627993 560068723 /nfs/dbraw/zinc/06/87/23/560068723.db2.gz LAOISJHRZPQBND-XTQQTFIVSA-N 2 0 582.742 2.493 1 30 biogenic,in-vitro KEEFRP CNC(=[NH2+])NC[C@@]1(CC[NH2+]C[C@H](C)O)C#C[C@H]2CCC[C@H]3C[C@@H](CC[NH2+]3)Oc3cc(ccc3O)C[C@H]2[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628010 565160706 /nfs/dbraw/zinc/16/07/06/565160706.db2.gz MPSUBEKJVLHVIJ-GHCTUHQDSA-N 3 0 641.854 2.421 1 30 biogenic,in-vitro KEEFRP CNC(=[NH2+])NC[C@]12C#CC[C@@H](Cc3cc(OC4CC[NH2+]CC4)c(O)cc3CO)[C@@H](OC(C)=O)C[C@@H](O)[C@H](CC[C@@H]1C)C2 ZINC000085628013 560068753 /nfs/dbraw/zinc/06/87/53/560068753.db2.gz QSCMCKLCNIEZMC-FSCJFMQLSA-N 2 0 584.758 2.430 1 30 biogenic,in-vitro KEEFRP CC(=O)O[C@H]1C[C@@H](O)CC[C@@]2(C#CC[C@@H]1Cc1ccc(O)c(OC3CC[NH2+]CC3)c1)CC[N@H+]1C[C@@H]3C[C@@H](CN(C3)C[NH+]=C(N)NC2)C1 ZINC000085628052 565161151 /nfs/dbraw/zinc/16/11/51/565161151.db2.gz FFUQPWVGRFNWMM-UTRGKCJISA-N 2 0 650.865 2.267 1 30 biogenic,in-vitro KEEFRP CC[C@]1(CNC(=[NH2+])NC)C#CC[C@@H](Cc2cc(OC3CC[NH2+]CC3)c(O)cc2CO)[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628063 560068734 /nfs/dbraw/zinc/06/87/34/560068734.db2.gz LVUDVUYBSWKZKD-AYGLBXGJSA-N 2 0 558.720 2.184 1 30 biogenic,in-vitro KEEFRP CC[C@]1(CNC(=[NH2+])NC)C#CC[C@H](Cc2ccc(O)c(O[C@@H]3CCN[C@H](C[NH2+]C)C3)c2)[C@@H](OC(C)=O)C[C@@H](O)CC1 ZINC000085628073 560068700 /nfs/dbraw/zinc/06/87/00/560068700.db2.gz WSULKHZETMBVQK-PYBAFUJWSA-N 2 0 571.763 2.280 1 30 biogenic,in-vitro KEEFRP COc1cc(C[C@H]2CC#C[C@]3(CC[C@H](O)C[C@@H]2OC(C)=O)CC[N@H+]2C[C@@H]4C[C@@H](CN(C4)C[NH+]=C(N)NC3)C2)ccc1O ZINC000085628220 560068728 /nfs/dbraw/zinc/06/87/28/560068728.db2.gz IOLVBAGNZBINHB-LKNNUPOISA-N 2 0 581.758 2.145 1 30 biogenic,in-vitro KEEFRP C=CCc1ccc(-c2cc(Nc3ccc(C[NH3+])cc3)c3cccc(C(=O)N[C@@H](C[NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)NCC(=O)N[C@@H](CC=C)C(N)=O)c3n2)cc1 ZINC000095539438 562755064 /nfs/dbraw/zinc/75/50/64/562755064.db2.gz RUQUKZFRGUHFFP-UEMWQVMZSA-N 3 0 776.943 2.166 1 30 KEEFRP NC(=O)C[N+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N+]6(CC(N)=O)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000095540138 717138753 /nfs/dbraw/zinc/13/87/53/717138753.db2.gz CHZGEDUCEFMBER-QPMUGCEISA-P 2 0 700.884 2.267 1 30 KEEFRP C=C1Oc2cc(OC)cc(C(=O)O[C@H]3COC(=O)C[C@H]([NH3+])c4ccc(c(O)c4)O[C@@H]4C#CC=C3C#CC3=CC=C[C@@]34O[C@@H]3OC(C)(C)[C@@H]([NH+](C)C)[C@@H](O)[C@H]3O)c2NC1=O ZINC000095540586 562755856 /nfs/dbraw/zinc/75/58/56/562755856.db2.gz XOFNLTDFFYVXTP-ZXFXATRDSA-N 2 0 809.825 2.150 1 30 KEEFRP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N(CC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)Cc2ccccc2)cs1 ZINC000095543568 562757367 /nfs/dbraw/zinc/75/73/67/562757367.db2.gz VFZAWGZAEVCXFB-OQJLRFEOSA-N 2 0 829.016 2.449 1 30 KEEFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)c(Cl)c(Nc3ccc(NC(=O)C4=CN(C5CC5)[C@@H]5C=C(N6CC[NH2+]CC6)C(F)C=C5C4=O)cc3)c2Cl)C1 ZINC000095544106 562757627 /nfs/dbraw/zinc/75/76/27/562757627.db2.gz JDABGYYIPWZPJM-AEGBUAINSA-N 5 0 795.796 2.372 1 30 KEEFRP [NH3+][C@@H]1C[C@H]([NH3+])CN(c2nc(N3C[C@H]([NH3+])C[C@H]([NH3+])C3)c(Cl)c(Nc3ccc(NC(=O)C4=CN(C5CC5)[C@H]5C=C(N6CC[NH2+]CC6)C(F)C=C5C4=O)cc3)c2Cl)C1 ZINC000095544107 562757625 /nfs/dbraw/zinc/75/76/25/562757625.db2.gz JDABGYYIPWZPJM-WEOAHIQGSA-N 5 0 795.796 2.372 1 30 KEEFRP [NH3+]CCCC[C@H]([NH3+])C(=O)NCCCC[C@H]([NH3+])C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)cc1 ZINC000095564846 562764490 /nfs/dbraw/zinc/76/44/90/562764490.db2.gz DFIDCYZURUGFII-OALUTQOASA-N 3 0 522.547 2.046 1 30 KEEFRP [NH3+]CCCC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)cc1 ZINC000095564847 562764427 /nfs/dbraw/zinc/76/44/27/562764427.db2.gz AKRKDQLSNCYPLM-OALUTQOASA-N 3 0 522.547 2.046 1 30 KEEFRP C[C@@H](CO)N1C[C@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2cc(C#CC[NH+](C)C)ccc2S1(=O)=O ZINC000095600321 562778795 /nfs/dbraw/zinc/77/87/95/562778795.db2.gz OJORFHMACFRWQB-NOMHHCBYSA-N 2 0 543.686 2.229 1 30 KEEFRP C[C@@H](CO)N1C[C@@H](C)[C@@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2cc(C#CC[NH+](C)C)ccc2S1(=O)=O ZINC000095604610 562781106 /nfs/dbraw/zinc/78/11/06/562781106.db2.gz OJORFHMACFRWQB-PBDKAQRYSA-N 2 0 543.686 2.229 1 30 KEEFRP CC(C)[C@H]([NH3+])C(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1 ZINC000095609748 562783971 /nfs/dbraw/zinc/78/39/71/562783971.db2.gz LQJFCDFVAFXCDU-JOBLXHLTSA-N 2 0 821.037 2.486 1 30 KEEFRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1 ZINC000095609749 562783973 /nfs/dbraw/zinc/78/39/73/562783973.db2.gz LQJFCDFVAFXCDU-DLRNAMLRSA-N 2 0 821.037 2.486 1 30 KEEFRP C[NH2+]CC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCCNC(N)=[NH2+])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)cs1 ZINC000095615352 562787257 /nfs/dbraw/zinc/78/72/57/562787257.db2.gz ZRRPYKKIKYRIIG-YDPTYEFTSA-N 2 0 807.010 2.112 1 30 KEEFRP C[NH2+]CC(=O)N[C@@H](Cc1ccc(F)cc1)c1nc(C(=O)N[C@@H](CC2CCCCC2)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](CC2CCCCC2)C(N)=O)cs1 ZINC000095615358 562787260 /nfs/dbraw/zinc/78/72/60/562787260.db2.gz HIRCQENIESEJLL-ORYMTKCHSA-N 2 0 799.031 2.449 1 30 KEEFRP COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(OC(=O)CNCC[NH+](C)C)c(OC)c2)ccc1OC(=O)CNCC[NH+](C)C ZINC000103276381 562823187 /nfs/dbraw/zinc/82/31/87/562823187.db2.gz ARJUOKHVWOSRRE-MKICQXMISA-N 2 0 624.735 2.072 1 30 KEEFRP CN(NCCCc1c(C#N)[n+](=O)c2cc(Cl)ccc2n1O)NCCCc1c(C#N)[n+](=O)c2cc(Cl)ccc2n1O ZINC000140480245 562833090 /nfs/dbraw/zinc/83/30/90/562833090.db2.gz UKEDRGNHISBYRM-UHFFFAOYSA-N 2 0 586.440 2.456 1 30 KEEFRP COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(C[NH+]4CCN(c5cc[nH+]cc5)CC4)cc3)NC(=O)NC1=O)C2 ZINC000143350654 562834931 /nfs/dbraw/zinc/83/49/31/562834931.db2.gz WOLQHVZEGNOPMB-WJOKGBTCSA-N 2 0 568.609 2.137 1 30 KEEFRP CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC[NH+](C)C)=C(C[C@@H](C)C[C@H](OC)[C@H]([NH2+]CCF)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O ZINC000150555006 562844706 /nfs/dbraw/zinc/84/47/06/562844706.db2.gz ZJWNUCATNSNXAC-MMZLNOGSSA-N 2 0 661.816 2.480 1 30 KEEFRP CO[C@H]1C=CC=C(C)C(=O)NC2=CC(=O)C(NCC[NH+](C)C)=C(C[C@@H](C)C[C@H](OC)[C@H]([NH2+]CCN(C)C)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O ZINC000150606023 562847824 /nfs/dbraw/zinc/84/78/24/562847824.db2.gz QZMMCMVHGLOERF-BLIXHKEPSA-N 2 0 686.895 2.072 1 30 KEEFRP CC(=O)N(c1cccc(Cl)c1)[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 ZINC000169319522 562856227 /nfs/dbraw/zinc/85/62/27/562856227.db2.gz HJYZXHPWNOZLDO-YRCZKMHPSA-N 2 0 808.360 2.031 1 30 KEEFRP NC(=[NH2+])NCCCC[C@@H]1NC(=O)c2coc(n2)-c2coc(n2)-c2coc(n2)[C@H](CCCCNC(N)=[NH2+])NC(=O)c2coc(n2)-c2coc(n2)-c2coc1n2 ZINC000197225208 562872547 /nfs/dbraw/zinc/87/25/47/562872547.db2.gz CSSSFZQRFWHEKK-HOTGVXAUSA-N 2 0 742.714 2.426 1 30 KEEFRP NC(=O)C[N@@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@@+]6(CC(N)=O)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000299811514 717180582 /nfs/dbraw/zinc/18/05/82/717180582.db2.gz CHZGEDUCEFMBER-MSSJHXLBSA-P 2 0 700.884 2.267 1 30 KEEFRP NC(=O)C[N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@@+]6(CC(N)=O)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000299811515 717180484 /nfs/dbraw/zinc/18/04/84/717180484.db2.gz CHZGEDUCEFMBER-REZCYVLRSA-P 2 0 700.884 2.267 1 30 KEEFRP NC(=O)C[N@+]12CC[C@]34c5ccccc5N5[C@H]3[C@H]3[C@@H](C[C@@H]41)C(=CCO[C@H]3N1c3ccccc3[C@@]34CC[N@+]6(CC(N)=O)CC7=CCO[C@@H]5[C@@H]([C@H]13)[C@H]7C[C@@H]46)C2 ZINC000299811516 717180546 /nfs/dbraw/zinc/18/05/46/717180546.db2.gz CHZGEDUCEFMBER-RHQVZCANSA-P 2 0 700.884 2.267 1 30 KEEFRP C=CC[N@@+](C)(CCN(C)C(=O)CN(C)C(=O)CN(C)C(=O)C[N+]1(CC=C)CCCCC1)Cc1ccccc1 ZINC000299811711 717180490 /nfs/dbraw/zinc/18/04/90/717180490.db2.gz UXNTVUCXKROUGZ-UMSFTDKQSA-N 2 0 527.754 2.381 1 30 KEEFRP C=CC[N@+](C)(CCN(C)C(=O)CN(C)C(=O)CN(C)C(=O)C[N+]1(CC=C)CCCCC1)Cc1ccccc1 ZINC000299811712 717180542 /nfs/dbraw/zinc/18/05/42/717180542.db2.gz UXNTVUCXKROUGZ-UUWRZZSWSA-N 2 0 527.754 2.381 1 30 KEEFRP NC(=[NH2+])NCCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(=O)c1nc2ccccc2s1 ZINC000299837918 562887679 /nfs/dbraw/zinc/88/76/79/562887679.db2.gz PPZMTPFBZSVVTC-JSRHHAARSA-N 2 0 743.916 2.126 1 30 KEEFRP C[C@@H](CO)N1C[C@@H](C)[C@H](C[N@H+](C)Cc2ccc3c(c2)OCO3)Oc2ncc(C#CC[NH+](C)C)cc2C1=O ZINC000061922327 562703351 /nfs/dbraw/zinc/70/33/51/562703351.db2.gz BVQTVABWCISGQV-GOHWNWGWSA-N 2 0 508.619 2.076 3 30 KEEFRP