smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(N2CCC(C(=O)N3CCN(S(=O)(=O)c4ccc(Br)cc4)CC3)CC2)cc[nH+]1 ZINC000001488238 561676211 /nfs/dbraw/zinc/67/62/11/561676211.db2.gz UKYGMIASKCNKIZ-UHFFFAOYSA-N 1 2 508.442 2.297 1 0 KEAFLO CCOC(=O)CCCn1c2cscc2c(=O)n(CC[NH+]2CCN(c3ccccc3OC)CC2)c1=O ZINC000003777659 561682289 /nfs/dbraw/zinc/68/22/89/561682289.db2.gz UZRDCBLBYNYDKK-UHFFFAOYSA-N 1 2 500.621 2.399 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1c[nH+]c[nH]1)C2 ZINC000003923122 561685991 /nfs/dbraw/zinc/68/59/91/561685991.db2.gz AQCMDBDNERGAJQ-DMBDEIPHSA-N 1 2 638.835 2.323 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC000003923122 561685990 /nfs/dbraw/zinc/68/59/90/561685990.db2.gz AQCMDBDNERGAJQ-DMBDEIPHSA-N 1 2 638.835 2.323 1 0 KEAFLO Cn1c[nH+]c(CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]2C[C@H]3CC[C@]2(CS(=O)(=O)N2CCC4(CCc5ccccc54)CC2)C3(C)C)c1 ZINC000003923125 561686067 /nfs/dbraw/zinc/68/60/67/561686067.db2.gz UMWOIINMVWIDMB-HYBHZXASSA-N 1 2 652.862 2.334 1 0 KEAFLO CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C ZINC000003923467 561686200 /nfs/dbraw/zinc/68/62/00/561686200.db2.gz ZIMBBOOTTYBWFG-QMVABORWSA-N 1 2 740.002 2.406 1 0 KEAFLO CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)CS(=O)(=O)C(C)(C)C ZINC000003923467 561686199 /nfs/dbraw/zinc/68/61/99/561686199.db2.gz ZIMBBOOTTYBWFG-QMVABORWSA-N 1 2 740.002 2.406 1 0 KEAFLO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(NCCc2c[nH+]c[nH]2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000003924085 561686284 /nfs/dbraw/zinc/68/62/84/561686284.db2.gz NANAINBLSKKKCP-YRIIQKNPSA-N 1 2 597.680 2.203 1 0 KEAFLO CCNC(=O)[C@H]1O[C@@H](n2cnc3c2nc(NCCc2c[nH]c[nH+]2)nc3NCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000003924085 561686282 /nfs/dbraw/zinc/68/62/82/561686282.db2.gz NANAINBLSKKKCP-YRIIQKNPSA-N 1 2 597.680 2.203 1 0 KEAFLO CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCC[N@@H+](C)C2)C1 ZINC000003965093 561691394 /nfs/dbraw/zinc/69/13/94/561691394.db2.gz NHUURXLCGOCXHZ-UHFFFAOYSA-N 1 2 552.723 2.335 1 0 KEAFLO CN1CCC=C(c2nsnc2OCCOCCOCCOCCOc2nsnc2C2=CCC[N@H+](C)C2)C1 ZINC000003965093 561691392 /nfs/dbraw/zinc/69/13/92/561691392.db2.gz NHUURXLCGOCXHZ-UHFFFAOYSA-N 1 2 552.723 2.335 1 0 KEAFLO O=C(N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2O)c(O)c1)c1ccc(O)cc1 ZINC000013474177 561714470 /nfs/dbraw/zinc/71/44/70/561714470.db2.gz SDXJATDGAWWJQA-AUSIDOKSSA-N 1 2 506.511 2.447 1 0 KEAFLO O=C(N[C@@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1)c1ccc(O)cc1 ZINC000013474178 561714430 /nfs/dbraw/zinc/71/44/30/561714430.db2.gz FZNVHMDFJAWXTJ-VGOFRKELSA-N 1 2 522.510 2.153 1 0 KEAFLO CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)C[NH3+])C(C)C ZINC000013516125 561716747 /nfs/dbraw/zinc/71/67/47/561716747.db2.gz LCAIRYPZVCLRKX-UFYCRDLUSA-N 1 2 510.582 2.232 1 0 KEAFLO COc1ccccc1N1CC[NH+](CCn2ncc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2=O)CC1 ZINC000013558458 561719317 /nfs/dbraw/zinc/71/93/17/561719317.db2.gz OLGGJUUPVVPBDB-UHFFFAOYSA-N 1 2 527.025 2.283 1 0 KEAFLO C[NH+]1CCN(C(=O)c2ccc(-c3[nH]nc4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)CC1 ZINC000013588762 561721168 /nfs/dbraw/zinc/72/11/68/561721168.db2.gz CIRPFGYESAMUIP-UHFFFAOYSA-N 1 2 521.603 2.106 1 0 KEAFLO C[NH+]1CCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)CC1 ZINC000013588762 561721166 /nfs/dbraw/zinc/72/11/66/561721166.db2.gz CIRPFGYESAMUIP-UHFFFAOYSA-N 1 2 521.603 2.106 1 0 KEAFLO Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc(F)cc4)cc3)cc2n(CC[NH+]2CCOCC2)c1=O ZINC000013678851 561724548 /nfs/dbraw/zinc/72/45/48/561724548.db2.gz XBASZIUKYQNFMU-UHFFFAOYSA-N 1 2 521.549 2.184 1 0 KEAFLO CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000013759587 561727540 /nfs/dbraw/zinc/72/75/40/561727540.db2.gz GPBVKHGLFLZPRW-GOTSBHOMSA-N 1 2 518.655 2.020 1 0 KEAFLO CCCCCCn1c2[nH]c(-c3cc(S(=O)(=O)N4CC[NH+](C)CC4)ccc3OCC)nc2c(=O)n(C)c1=O ZINC000013818311 561732412 /nfs/dbraw/zinc/73/24/12/561732412.db2.gz JYNJCYRMTVRPMA-UHFFFAOYSA-N 1 2 532.667 2.005 1 0 KEAFLO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C[C@@H](O)COc3cccc4ccccc43)CC2)ccc1Cl ZINC000013861209 561734610 /nfs/dbraw/zinc/73/46/10/561734610.db2.gz MXQFNNYIMXOQNT-LJQANCHMSA-N 1 2 504.008 2.338 1 0 KEAFLO NS(=O)(=O)c1cc(C(=O)N2CC[NH+](C[C@H](O)COc3cccc4ccccc43)CC2)ccc1Cl ZINC000013861210 561734586 /nfs/dbraw/zinc/73/45/86/561734586.db2.gz MXQFNNYIMXOQNT-IBGZPJMESA-N 1 2 504.008 2.338 1 0 KEAFLO CC(C)C[C@H](CO)NC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943092 561740688 /nfs/dbraw/zinc/74/06/88/561740688.db2.gz QXFCNTMNRXZPSF-KEHCTXMOSA-N 1 2 540.730 2.363 1 0 KEAFLO CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943096 561740742 /nfs/dbraw/zinc/74/07/42/561740742.db2.gz BCZIGYZPCOHKSH-BZPAFRQQSA-N 1 2 540.730 2.363 1 0 KEAFLO CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943097 561740746 /nfs/dbraw/zinc/74/07/46/561740746.db2.gz BCZIGYZPCOHKSH-JDISBXIESA-N 1 2 540.730 2.363 1 0 KEAFLO CC[C@@H](C)[C@H](CO)NC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943098 561740785 /nfs/dbraw/zinc/74/07/85/561740785.db2.gz BCZIGYZPCOHKSH-NCEWBMFVSA-N 1 2 540.730 2.363 1 0 KEAFLO CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000014943099 561740789 /nfs/dbraw/zinc/74/07/89/561740789.db2.gz BCZIGYZPCOHKSH-RINNCPICSA-N 1 2 540.730 2.363 1 0 KEAFLO COc1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944145 561742141 /nfs/dbraw/zinc/74/21/41/561742141.db2.gz DJAPDSARPFNANQ-XMSQKQJNSA-N 1 2 536.537 2.456 1 0 KEAFLO CC(C)COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000014944171 561742298 /nfs/dbraw/zinc/74/22/98/561742298.db2.gz NWNXQPGNDJISRZ-HYBUGGRVSA-N 1 2 578.574 2.480 1 0 KEAFLO CC[NH+]1CCN(C(=O)c2ccc(-c3[nH]nc4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)CC1 ZINC000014945272 561743041 /nfs/dbraw/zinc/74/30/41/561743041.db2.gz NKTLDQKOORBUMS-UHFFFAOYSA-N 1 2 535.630 2.496 1 0 KEAFLO CC[NH+]1CCN(C(=O)c2ccc(-c3n[nH]c4c3C(=O)c3c-4cccc3NC(=O)NN3CCOCC3)s2)CC1 ZINC000014945272 561743040 /nfs/dbraw/zinc/74/30/40/561743040.db2.gz NKTLDQKOORBUMS-UHFFFAOYSA-N 1 2 535.630 2.496 1 0 KEAFLO CC(C)N(CC[NH+]1CCOCC1)C(=O)[C@H](C)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O ZINC000014950044 561745512 /nfs/dbraw/zinc/74/55/12/561745512.db2.gz SCSMSHQTWYIIRL-CYFREDJKSA-N 1 2 551.109 2.330 1 0 KEAFLO COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(C2CCN(c4ccccc4C[NH+]4CCOCC4)CC2)CC3)cc1 ZINC000014969581 561750878 /nfs/dbraw/zinc/75/08/78/561750878.db2.gz HPKMQHKNHYQOFE-UHFFFAOYSA-N 1 2 544.656 2.479 1 0 KEAFLO CNc1[nH+]c2ccccc2n1Cc1sc2c(c1C(=O)N1CC[C@@H](O)C1)c(=O)n(C)c(=O)n2CC(C)C ZINC000014977718 561752493 /nfs/dbraw/zinc/75/24/93/561752493.db2.gz YCHYUPBHYYIHNM-OAHLLOKOSA-N 1 2 510.620 2.064 1 0 KEAFLO CCOC(=O)CN1CC[NH+](C[C@H]2CN(c3ccc(C(N)=NC(=O)Oc4ccccc4)cc3)C(=O)O2)CC1 ZINC000022448535 561759061 /nfs/dbraw/zinc/75/90/61/561759061.db2.gz WKCBXCRSGVOBIR-QFIPXVFZSA-N 1 2 509.563 2.306 1 0 KEAFLO O=C1NC(=S)NC(=O)C1(c1ccc(Oc2ccc(Br)cc2)cc1)N1CC[NH+](CCO)CC1 ZINC000022933631 561760390 /nfs/dbraw/zinc/76/03/90/561760390.db2.gz URXHOHGQEBFJOX-UHFFFAOYSA-N 1 2 519.421 2.418 1 0 KEAFLO CCOC(=O)CN1CC[NH+](C[C@@H]2CN(c3ccc(C(N)=NC(=O)OCc4ccccc4)cc3)C(=O)O2)CC1 ZINC000022944652 561761220 /nfs/dbraw/zinc/76/12/20/561761220.db2.gz YRSXAXJFVXJMOV-HSZRJFAPSA-N 1 2 523.590 2.444 1 0 KEAFLO CCOC(=O)CN1CC[NH+](C[C@@H]2CN(c3ccc(C(N)=NC(=O)Oc4ccccc4)cc3)C(=O)O2)CC1 ZINC000022944656 561761179 /nfs/dbraw/zinc/76/11/79/561761179.db2.gz WKCBXCRSGVOBIR-JOCHJYFZSA-N 1 2 509.563 2.306 1 0 KEAFLO NNC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H]([NH2+]CC(=O)[O-])C(c2ccccc2)c2ccccc2)s1 ZINC000025977111 561763718 /nfs/dbraw/zinc/76/37/18/561763718.db2.gz XELJZSBXTAPOAN-SQJMNOBHSA-N 1 2 548.669 2.019 1 0 KEAFLO CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026025380 561766936 /nfs/dbraw/zinc/76/69/36/561766936.db2.gz YNCOBXXHBHZQFY-FKBYEOEOSA-N 1 2 501.628 2.096 1 0 KEAFLO CC(C)C[C@@H](CO)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000026025380 561766935 /nfs/dbraw/zinc/76/69/35/561766935.db2.gz YNCOBXXHBHZQFY-FKBYEOEOSA-N 1 2 501.628 2.096 1 0 KEAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H](CC(=O)N(C)CCOC)Cc2ccccc2)OC1=O ZINC000026147074 561767319 /nfs/dbraw/zinc/76/73/19/561767319.db2.gz BGSKVEJIUFEIND-BQBSFFJSSA-N 1 2 668.836 2.448 1 0 KEAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H](CC(=O)N(C)CCOC)Cc2ccccc2)OC1=O ZINC000026147074 561767318 /nfs/dbraw/zinc/76/73/18/561767318.db2.gz BGSKVEJIUFEIND-BQBSFFJSSA-N 1 2 668.836 2.448 1 0 KEAFLO Cc1cnc(C(=O)Nc2cc(C(=O)Nc3ccc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCOCC5)n(C)c4)cc3)n(C)c2)cn1 ZINC000026170230 561769908 /nfs/dbraw/zinc/76/99/08/561769908.db2.gz WIMYSTBYJYXQPP-UHFFFAOYSA-N 1 2 613.679 2.281 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)cn3C)nn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026178132 561771204 /nfs/dbraw/zinc/77/12/04/561771204.db2.gz YSCPCUPHOQBFSA-UHFFFAOYSA-N 1 2 652.716 2.464 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3nc(NC(=O)c4cc5ccccc5cn4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026180010 561771509 /nfs/dbraw/zinc/77/15/09/561771509.db2.gz ZILPFLJCRWDDJU-UHFFFAOYSA-N 1 2 652.716 2.464 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4cc5ccccc5cn4)nn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026181083 561771766 /nfs/dbraw/zinc/77/17/66/561771766.db2.gz YKGUMZADPQYFRP-UHFFFAOYSA-N 1 2 652.716 2.464 1 0 KEAFLO CC(C)(C)C(=O)OCOC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2C[NH2+]C[C@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026253305 561774410 /nfs/dbraw/zinc/77/44/10/561774410.db2.gz FWEDWNSLCBHVQT-HYBUGGRVSA-N 1 2 636.610 2.371 1 0 KEAFLO CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C ZINC000026259348 561775278 /nfs/dbraw/zinc/77/52/78/561775278.db2.gz SUGXSTKXEOJPRE-LJWNLINESA-N 1 2 633.812 2.434 1 0 KEAFLO CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(=O)(=O)C(C)C ZINC000026259348 561775276 /nfs/dbraw/zinc/77/52/76/561775276.db2.gz SUGXSTKXEOJPRE-LJWNLINESA-N 1 2 633.812 2.434 1 0 KEAFLO CC(C)(C)OC(=O)NCCCC(=O)NCC[NH+]1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000026268900 561776846 /nfs/dbraw/zinc/77/68/46/561776846.db2.gz MEXZQMUWOXIPKZ-UHFFFAOYSA-N 1 2 565.675 2.351 1 0 KEAFLO O=C(NCCC[NH+]1CCOCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026274596 561777893 /nfs/dbraw/zinc/77/78/93/561777893.db2.gz YURAOYRSRXDUAR-PMERELPUSA-N 1 2 620.772 2.376 1 0 KEAFLO O=C(NCCC[NH+]1CCOCC1)C(=O)[C@@H](Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000026274603 561777910 /nfs/dbraw/zinc/77/79/10/561777910.db2.gz YURAOYRSRXDUAR-SSEXGKCCSA-N 1 2 620.772 2.376 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(C)(=O)=O ZINC000026275860 561778199 /nfs/dbraw/zinc/77/81/99/561778199.db2.gz QJCVLUSXQMPSSP-FWEHEUNISA-N 1 2 633.812 2.434 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CS(C)(=O)=O ZINC000026275860 561778197 /nfs/dbraw/zinc/77/81/97/561778197.db2.gz QJCVLUSXQMPSSP-FWEHEUNISA-N 1 2 633.812 2.434 1 0 KEAFLO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3ccncc3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026295131 561781296 /nfs/dbraw/zinc/78/12/96/561781296.db2.gz QIYKLIYPNRHSLH-ATAZIPLOSA-N 1 2 643.851 2.393 1 0 KEAFLO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3ccncc3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026295131 561781295 /nfs/dbraw/zinc/78/12/95/561781295.db2.gz QIYKLIYPNRHSLH-ATAZIPLOSA-N 1 2 643.851 2.393 1 0 KEAFLO COC(=Cc1ccc(O)cc1)C(=O)O[C@H]1[C@H](n2cnc3c2ncnc3N)O[C@H](CSC)[C@H]1OC(=O)C=Cc1c[nH]c[nH+]1 ZINC000026378443 561782811 /nfs/dbraw/zinc/78/28/11/561782811.db2.gz YKXZBOLWPFOSEE-BCHAQARBSA-N 1 2 593.622 2.322 1 0 KEAFLO COc1ccc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000026383498 561783893 /nfs/dbraw/zinc/78/38/93/561783893.db2.gz FUALOJLLIBPFFU-QEUNAIBPSA-N 1 2 670.852 2.322 1 0 KEAFLO COc1ccc(C[C@H](NC(=O)N2CCOCC2)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)[C@@H](O)CC(C)C)cc1 ZINC000026383498 561783892 /nfs/dbraw/zinc/78/38/92/561783892.db2.gz FUALOJLLIBPFFU-QEUNAIBPSA-N 1 2 670.852 2.322 1 0 KEAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026383840 561783866 /nfs/dbraw/zinc/78/38/66/561783866.db2.gz BKRGZLNTVJYOPW-GKFQJYPJSA-N 1 2 640.826 2.313 1 0 KEAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026383840 561783865 /nfs/dbraw/zinc/78/38/65/561783865.db2.gz BKRGZLNTVJYOPW-GKFQJYPJSA-N 1 2 640.826 2.313 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 ZINC000026384528 561784005 /nfs/dbraw/zinc/78/40/05/561784005.db2.gz BCJUMOAXDNHJGD-LAJGZZDBSA-N 1 2 568.715 2.280 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccc(O)c2)CCN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1 ZINC000026384528 561784003 /nfs/dbraw/zinc/78/40/03/561784003.db2.gz BCJUMOAXDNHJGD-LAJGZZDBSA-N 1 2 568.715 2.280 1 0 KEAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1 ZINC000026385109 561784120 /nfs/dbraw/zinc/78/41/20/561784120.db2.gz QWUCPMIROCABIX-QEUNAIBPSA-N 1 2 654.853 2.438 1 0 KEAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(O)CC1 ZINC000026385109 561784119 /nfs/dbraw/zinc/78/41/19/561784119.db2.gz QWUCPMIROCABIX-QEUNAIBPSA-N 1 2 654.853 2.438 1 0 KEAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026385427 561784322 /nfs/dbraw/zinc/78/43/22/561784322.db2.gz BKRGZLNTVJYOPW-STVCLKQXSA-N 1 2 640.826 2.313 1 0 KEAFLO CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCOCC1 ZINC000026385427 561784319 /nfs/dbraw/zinc/78/43/19/561784319.db2.gz BKRGZLNTVJYOPW-STVCLKQXSA-N 1 2 640.826 2.313 1 0 KEAFLO CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CCn2nnn(CCc3cccs3)c2=O)CC1 ZINC000026385845 561784377 /nfs/dbraw/zinc/78/43/77/561784377.db2.gz OPWOLZJQGLEPSJ-UHFFFAOYSA-N 1 2 512.636 2.195 1 0 KEAFLO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@@H+](Cc3cccnc3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026388208 561785093 /nfs/dbraw/zinc/78/50/93/561785093.db2.gz YQYDZWKJUWHUEW-ATAZIPLOSA-N 1 2 643.851 2.393 1 0 KEAFLO CC(C)[C@@H]1[C@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[N@H+](Cc3cccnc3)C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O ZINC000026388208 561785090 /nfs/dbraw/zinc/78/50/90/561785090.db2.gz YQYDZWKJUWHUEW-ATAZIPLOSA-N 1 2 643.851 2.393 1 0 KEAFLO CCC(=O)N(c1ccccc1)C1(C(=O)OC)CC[NH+](CCn2nnn(CCc3ccccc3)c2=O)CC1 ZINC000026391256 561785834 /nfs/dbraw/zinc/78/58/34/561785834.db2.gz RFFWREOWGKFXRM-UHFFFAOYSA-N 1 2 506.607 2.133 1 0 KEAFLO CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 ZINC000026403406 561789098 /nfs/dbraw/zinc/78/90/98/561789098.db2.gz IDJURXHCQDOVHQ-TZNNLCDBSA-N 1 2 721.900 2.283 1 0 KEAFLO CC[C@H](C)[C@H](NC(=O)[C@H](C(C)C)[C@@H](O)[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1)C(=O)NCc1ccccn1 ZINC000026403406 561789096 /nfs/dbraw/zinc/78/90/96/561789096.db2.gz IDJURXHCQDOVHQ-TZNNLCDBSA-N 1 2 721.900 2.283 1 0 KEAFLO CCOC(=O)CCN1CC[NH+](C[C@H]2CN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)C(=O)O2)CC1 ZINC000026479133 561791571 /nfs/dbraw/zinc/79/15/71/561791571.db2.gz NFGVXGYBYYCRTR-QHCPKHFHSA-N 1 2 507.591 2.338 1 0 KEAFLO CCOC(=O)CCN1CC[NH+](C[C@@H]2CN(c3ccc(C(=N)NC(=O)c4ccccc4)cc3)C(=O)O2)CC1 ZINC000026493143 561793750 /nfs/dbraw/zinc/79/37/50/561793750.db2.gz NFGVXGYBYYCRTR-HSZRJFAPSA-N 1 2 507.591 2.338 1 0 KEAFLO COC1=C(Br)[C@@H](O)[C@]2(C=C1Br)CC(C(=O)NCCc1[nH]c(N)[nH+]c1-c1cc(O)c3[nH]cc(O)c(O)c-3c1=O)=NO2 ZINC000026504008 561796147 /nfs/dbraw/zinc/79/61/47/561796147.db2.gz ZFABPBNMLSLYSF-QPPBQGQZSA-N 1 2 682.282 2.110 1 0 KEAFLO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026504524 561796291 /nfs/dbraw/zinc/79/62/91/561796291.db2.gz UFFCAFCUPZEXCT-KCHLEUMXSA-N 1 2 582.661 2.188 1 0 KEAFLO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026504524 561796289 /nfs/dbraw/zinc/79/62/89/561796289.db2.gz UFFCAFCUPZEXCT-KCHLEUMXSA-N 1 2 582.661 2.188 1 0 KEAFLO NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026506584 561796716 /nfs/dbraw/zinc/79/67/16/561796716.db2.gz WXLREXYFUOHLJU-HZFUHODCSA-N 1 2 582.661 2.188 1 0 KEAFLO NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026506584 561796714 /nfs/dbraw/zinc/79/67/14/561796714.db2.gz WXLREXYFUOHLJU-HZFUHODCSA-N 1 2 582.661 2.188 1 0 KEAFLO NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026567540 561797340 /nfs/dbraw/zinc/79/73/40/561797340.db2.gz WXLREXYFUOHLJU-PKTNWEFCSA-N 1 2 582.661 2.188 1 0 KEAFLO NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026567540 561797338 /nfs/dbraw/zinc/79/73/38/561797338.db2.gz WXLREXYFUOHLJU-PKTNWEFCSA-N 1 2 582.661 2.188 1 0 KEAFLO NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026567544 561797411 /nfs/dbraw/zinc/79/74/11/561797411.db2.gz WXLREXYFUOHLJU-KCHLEUMXSA-N 1 2 582.661 2.188 1 0 KEAFLO NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000026567544 561797409 /nfs/dbraw/zinc/79/74/09/561797409.db2.gz WXLREXYFUOHLJU-KCHLEUMXSA-N 1 2 582.661 2.188 1 0 KEAFLO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000026569283 561797768 /nfs/dbraw/zinc/79/77/68/561797768.db2.gz ZJNUTUXJYYGBNZ-KCHLEUMXSA-N 1 2 582.661 2.188 1 0 KEAFLO NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000026569283 561797767 /nfs/dbraw/zinc/79/77/67/561797767.db2.gz ZJNUTUXJYYGBNZ-KCHLEUMXSA-N 1 2 582.661 2.188 1 0 KEAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c([nH]1)n(CC1CCCCC1)c(=O)n(C)c2=O ZINC000026576110 561799845 /nfs/dbraw/zinc/79/98/45/561799845.db2.gz HOTVENGJKGJOSZ-UHFFFAOYSA-N 1 2 544.678 2.005 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCCO)c4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000026578371 561803273 /nfs/dbraw/zinc/80/32/73/561803273.db2.gz PPFKBEJLVGUMQV-UHFFFAOYSA-N 1 2 715.237 2.425 1 0 KEAFLO O=C(N[C@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2O)c(O)c1)c1ccc(O)cc1 ZINC000026579513 561804875 /nfs/dbraw/zinc/80/48/75/561804875.db2.gz SDXJATDGAWWJQA-WMZHIEFXSA-N 1 2 506.511 2.447 1 0 KEAFLO COc1cc(N)c(Cl)cc1C(=O)OCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2cccc3c2cccc3N(C)C)CC1 ZINC000026579616 561804995 /nfs/dbraw/zinc/80/49/95/561804995.db2.gz LJNPCBNSEXDPCG-UHFFFAOYSA-N 1 2 604.129 2.430 1 0 KEAFLO O=C(N[C@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2O)c(O)c1)c1ccc(O)cc1 ZINC000026641362 561806668 /nfs/dbraw/zinc/80/66/68/561806668.db2.gz FZNVHMDFJAWXTJ-HTAPYJJXSA-N 1 2 522.510 2.153 1 0 KEAFLO COc1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[NH2+]C[C@@H]2NC(=O)c2ccc(O)cc2)cc1O ZINC000026641905 561806782 /nfs/dbraw/zinc/80/67/82/561806782.db2.gz DJAPDSARPFNANQ-PGRDOPGGSA-N 1 2 536.537 2.456 1 0 KEAFLO CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc2ccccc2[nH]1 ZINC000026645493 561807391 /nfs/dbraw/zinc/80/73/91/561807391.db2.gz MNLZKJAZLIMKNX-GDWZEYGFSA-N 1 2 616.785 2.129 1 0 KEAFLO CCCCNS(=O)(=O)C[C@@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc2ccccc2[nH]1 ZINC000026645493 561807390 /nfs/dbraw/zinc/80/73/90/561807390.db2.gz MNLZKJAZLIMKNX-GDWZEYGFSA-N 1 2 616.785 2.129 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026669407 561811907 /nfs/dbraw/zinc/81/19/07/561811907.db2.gz GNAFBSFVPOUZOX-HJJSHCOASA-N 1 2 614.791 2.262 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026669407 561811905 /nfs/dbraw/zinc/81/19/05/561811905.db2.gz GNAFBSFVPOUZOX-HJJSHCOASA-N 1 2 614.791 2.262 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026671320 561812452 /nfs/dbraw/zinc/81/24/52/561812452.db2.gz LRFMFWHEDLJLKJ-HJJSHCOASA-N 1 2 614.791 2.262 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1ccncc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000026671320 561812450 /nfs/dbraw/zinc/81/24/50/561812450.db2.gz LRFMFWHEDLJLKJ-HJJSHCOASA-N 1 2 614.791 2.262 1 0 KEAFLO CO[C@@H]1[C@@H](OC(=O)c2ccc(C)[nH]2)[C@@H](O)[C@H](Oc2ccc3c(OCC[NH+]4CCN(C)CC4)cc(=O)oc3c2C)OC1(C)C ZINC000026727814 561816331 /nfs/dbraw/zinc/81/63/31/561816331.db2.gz IVYAHDYOIZBNBW-XMABBMNZSA-N 1 2 599.681 2.479 1 0 KEAFLO CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC000026739311 561817945 /nfs/dbraw/zinc/81/79/45/561817945.db2.gz SCZNNLLAHVLZMK-FQEVSTJZSA-N 1 2 548.090 2.199 1 0 KEAFLO CNC(=O)[C@@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC000026739311 561817944 /nfs/dbraw/zinc/81/79/44/561817944.db2.gz SCZNNLLAHVLZMK-FQEVSTJZSA-N 1 2 548.090 2.199 1 0 KEAFLO CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC000026739316 561817887 /nfs/dbraw/zinc/81/78/87/561817887.db2.gz SCZNNLLAHVLZMK-HXUWFJFHSA-N 1 2 548.090 2.199 1 0 KEAFLO CNC(=O)[C@H]1CN(S(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCN1C(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC000026739316 561817886 /nfs/dbraw/zinc/81/78/86/561817886.db2.gz SCZNNLLAHVLZMK-HXUWFJFHSA-N 1 2 548.090 2.199 1 0 KEAFLO CC1(C)S[C@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)N[C@H]1C(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(=O)NCCc1[nH]cc[nH+]1 ZINC000026838529 561825041 /nfs/dbraw/zinc/82/50/41/561825041.db2.gz XCSQTRCCSZFEKV-CAHXSHAFSA-N 1 2 725.916 2.401 1 0 KEAFLO COc1ccc(C[NH+]2CCN(S(=O)(=O)CCCOc3ccc4[nH]c5nc(=O)[nH]c-5cc4c3)CC2)cc1 ZINC000026978033 561831036 /nfs/dbraw/zinc/83/10/36/561831036.db2.gz DAEGLEBDZSYSOG-UHFFFAOYSA-N 1 2 511.604 2.330 1 0 KEAFLO CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[NH2+][C@@H](C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1 ZINC000026986019 561831846 /nfs/dbraw/zinc/83/18/46/561831846.db2.gz GXZVQWUNJMHBNF-JSKMBAMBSA-N 1 2 518.699 2.449 1 0 KEAFLO CC(C)CCNC(=O)[C@H](C)NC(=O)C[C@H](O)[NH2+][C@H](C(=O)[C@H](NC(=O)CC(C)C)C(C)C)c1ccccc1 ZINC000026986026 561831957 /nfs/dbraw/zinc/83/19/57/561831957.db2.gz GXZVQWUNJMHBNF-JTMVAAEOSA-N 1 2 518.699 2.449 1 0 KEAFLO O=C(CN1CCC[C@@H](CO)C1)Nc1nc2cc3nc(NC(=O)C[N@H+]4CCC[C@@H](CO)C4)sc3cc2s1 ZINC000027184436 561842321 /nfs/dbraw/zinc/84/23/21/561842321.db2.gz CJEDIZORBAQGRO-HZPDHXFCSA-N 1 2 532.692 2.192 1 0 KEAFLO O=C(CN1CCC[C@@H](CO)C1)Nc1nc2cc3nc(NC(=O)C[N@@H+]4CCC[C@@H](CO)C4)sc3cc2s1 ZINC000027184436 561842320 /nfs/dbraw/zinc/84/23/20/561842320.db2.gz CJEDIZORBAQGRO-HZPDHXFCSA-N 1 2 532.692 2.192 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027201742 561845182 /nfs/dbraw/zinc/84/51/82/561845182.db2.gz HANAVPDNPGTSDP-WRPDIKACSA-N 1 2 716.873 2.394 1 0 KEAFLO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027201747 561845194 /nfs/dbraw/zinc/84/51/94/561845194.db2.gz HANAVPDNPGTSDP-QOJCGITLSA-N 1 2 716.873 2.394 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027201752 561845261 /nfs/dbraw/zinc/84/52/61/561845261.db2.gz HANAVPDNPGTSDP-MCLUNMOSSA-N 1 2 716.873 2.394 1 0 KEAFLO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027201757 561845238 /nfs/dbraw/zinc/84/52/38/561845238.db2.gz HANAVPDNPGTSDP-TWAXBAAASA-N 1 2 716.873 2.394 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CC[C@@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027204946 561845732 /nfs/dbraw/zinc/84/57/32/561845732.db2.gz QYTJNGKCKAAPFJ-NWBQTEKMSA-N 1 2 702.846 2.004 1 0 KEAFLO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CC[C@@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027204952 561845713 /nfs/dbraw/zinc/84/57/13/561845713.db2.gz QYTJNGKCKAAPFJ-SQQOACJHSA-N 1 2 702.846 2.004 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027204955 561845701 /nfs/dbraw/zinc/84/57/01/561845701.db2.gz QYTJNGKCKAAPFJ-VLLGUPHNSA-N 1 2 702.846 2.004 1 0 KEAFLO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027204961 561845728 /nfs/dbraw/zinc/84/57/28/561845728.db2.gz QYTJNGKCKAAPFJ-PHFAJRBNSA-N 1 2 702.846 2.004 1 0 KEAFLO O=C(N[C@H]1COC(=O)CCC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O)OCc1ccccc1 ZINC000027206060 561845972 /nfs/dbraw/zinc/84/59/72/561845972.db2.gz RMNNILASEWTICU-ARXPIFDKSA-N 1 2 603.713 2.069 1 0 KEAFLO CC(C)(C)NC(=O)[C@H]1N(C[C@@H](O)CNC(=O)[C@@H]2[NH2+][C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)CSC1(C)C ZINC000027206414 561846083 /nfs/dbraw/zinc/84/60/83/561846083.db2.gz OCKSKYXTONTLTR-VBGJIGSHSA-N 1 2 712.983 2.385 1 0 KEAFLO CC(C)(C)NC(=O)[C@H]1N(C[C@H](O)CNC(=O)[C@@H]2[NH2+][C@@H]([C@H](NC(=O)Cc3ccccc3)C(=O)NCc3ccccc3)SC2(C)C)CSC1(C)C ZINC000027206422 561846049 /nfs/dbraw/zinc/84/60/49/561846049.db2.gz OCKSKYXTONTLTR-VKKHLLKTSA-N 1 2 712.983 2.385 1 0 KEAFLO CC(C)(C)S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)CCC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027208207 561846404 /nfs/dbraw/zinc/84/64/04/561846404.db2.gz QDBSOAYINWNSQN-HVXHYHBXSA-N 1 2 735.941 2.331 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OC[C@@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027210275 561846922 /nfs/dbraw/zinc/84/69/22/561846922.db2.gz IEYBVWBXMQBTAO-VLLGUPHNSA-N 1 2 702.846 2.004 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027210279 561846918 /nfs/dbraw/zinc/84/69/18/561846918.db2.gz IEYBVWBXMQBTAO-NWBQTEKMSA-N 1 2 702.846 2.004 1 0 KEAFLO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OC[C@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000027210283 561846966 /nfs/dbraw/zinc/84/69/66/561846966.db2.gz IEYBVWBXMQBTAO-WCDZDMCASA-N 1 2 702.846 2.004 1 0 KEAFLO Cn1cccc1-c1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCC[NH+]4CCOCC4)n(C)c3)n(C)c2)n(C)c1 ZINC000027305746 561849625 /nfs/dbraw/zinc/84/96/25/561849625.db2.gz DFMKZDKGXKXYAZ-UHFFFAOYSA-N 1 2 560.659 2.274 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccccn4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027305978 561849586 /nfs/dbraw/zinc/84/95/86/561849586.db2.gz STDZGQIIHAQGJO-UHFFFAOYSA-N 1 2 558.643 2.331 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4c[nH]c(=O)c(Cl)c4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027307721 561850018 /nfs/dbraw/zinc/85/00/18/561850018.db2.gz KBJMKCCHXIKTEM-UHFFFAOYSA-N 1 2 609.087 2.277 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccncc4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027307762 561850072 /nfs/dbraw/zinc/85/00/72/561850072.db2.gz UBMPOQWICALJOC-UHFFFAOYSA-N 1 2 558.643 2.331 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4cccnc4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027308697 561850178 /nfs/dbraw/zinc/85/01/78/561850178.db2.gz SXYGAHGYNQFMLI-UHFFFAOYSA-N 1 2 558.643 2.331 1 0 KEAFLO Cc1cnc(-c2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCOCC5)n(C)c4)n(C)c3)n(C)c2)cn1 ZINC000027310117 561850518 /nfs/dbraw/zinc/85/05/18/561850518.db2.gz BRYBEYYSGAJZOT-UHFFFAOYSA-N 1 2 573.658 2.034 1 0 KEAFLO Cc1nnsc1-c1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)NCC[NH+]4CCOCC4)n(C)c3)n(C)c2)n(C)c1 ZINC000027311032 561850769 /nfs/dbraw/zinc/85/07/69/561850769.db2.gz JNLTUCBSSKDNIJ-UHFFFAOYSA-N 1 2 579.687 2.096 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4nccs4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027311037 561850751 /nfs/dbraw/zinc/85/07/51/561850751.db2.gz ZUTHAGVHYOJBMD-UHFFFAOYSA-N 1 2 564.672 2.392 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(-c4ccc5nonc5c4)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000027312305 561850957 /nfs/dbraw/zinc/85/09/57/561850957.db2.gz GXKLWFKTMAITHZ-UHFFFAOYSA-N 1 2 599.652 2.472 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)CCC(N)=O)C2 ZINC000027314315 561851371 /nfs/dbraw/zinc/85/13/71/561851371.db2.gz DBFLKUZWJVVUHI-KSRTZFIWSA-N 1 2 638.835 2.323 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)CCC(N)=O)C2 ZINC000027314315 561851369 /nfs/dbraw/zinc/85/13/69/561851369.db2.gz DBFLKUZWJVVUHI-KSRTZFIWSA-N 1 2 638.835 2.323 1 0 KEAFLO Cn1c[nH+]cc1CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C ZINC000027318345 561852001 /nfs/dbraw/zinc/85/20/01/561852001.db2.gz RPBDHIOXHLKZGJ-HYBHZXASSA-N 1 2 652.862 2.334 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C[C@@H](CC(N)=O)NC(=O)Cc1c[nH+]c[nH]1)C2 ZINC000027319984 561852450 /nfs/dbraw/zinc/85/24/50/561852450.db2.gz YCDLHRZCSIDCIF-HETZQQTISA-N 1 2 638.835 2.323 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C[C@@H](CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC000027319984 561852448 /nfs/dbraw/zinc/85/24/48/561852448.db2.gz YCDLHRZCSIDCIF-HETZQQTISA-N 1 2 638.835 2.323 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C[C@H](CC(N)=O)NC(=O)Cc1c[nH+]c[nH]1)C2 ZINC000027319991 561852420 /nfs/dbraw/zinc/85/24/20/561852420.db2.gz YCDLHRZCSIDCIF-LSALZFIISA-N 1 2 638.835 2.323 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)C[C@H](CC(N)=O)NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC000027319991 561852418 /nfs/dbraw/zinc/85/24/18/561852418.db2.gz YCDLHRZCSIDCIF-LSALZFIISA-N 1 2 638.835 2.323 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)Cc1c[nH+]c[nH]1)C2 ZINC000027322649 561852843 /nfs/dbraw/zinc/85/28/43/561852843.db2.gz CCTOAPPCWGJDKF-FHNOPLDUSA-N 1 2 673.902 2.493 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC000027322649 561852840 /nfs/dbraw/zinc/85/28/40/561852840.db2.gz CCTOAPPCWGJDKF-FHNOPLDUSA-N 1 2 673.902 2.493 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)Cc1c[nH+]c[nH]1)C2 ZINC000027322658 561853002 /nfs/dbraw/zinc/85/30/02/561853002.db2.gz CCTOAPPCWGJDKF-VFDLRRFOSA-N 1 2 673.902 2.493 1 0 KEAFLO CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)Cc1c[nH]c[nH+]1)C2 ZINC000027322658 561853001 /nfs/dbraw/zinc/85/30/01/561853001.db2.gz CCTOAPPCWGJDKF-VFDLRRFOSA-N 1 2 673.902 2.493 1 0 KEAFLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000027328446 561854246 /nfs/dbraw/zinc/85/42/46/561854246.db2.gz SOPMJELGLOZMNK-RRPNLBNLSA-N 1 2 566.699 2.463 1 0 KEAFLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000027328450 561854255 /nfs/dbraw/zinc/85/42/55/561854255.db2.gz SOPMJELGLOZMNK-SVBPBHIXSA-N 1 2 566.699 2.463 1 0 KEAFLO CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000027328454 561854295 /nfs/dbraw/zinc/85/42/95/561854295.db2.gz SOPMJELGLOZMNK-KAYWLYCHSA-N 1 2 566.699 2.463 1 0 KEAFLO CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000027328458 561854312 /nfs/dbraw/zinc/85/43/12/561854312.db2.gz SOPMJELGLOZMNK-SXOMAYOGSA-N 1 2 566.699 2.463 1 0 KEAFLO CCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000027416230 561857056 /nfs/dbraw/zinc/85/70/56/561857056.db2.gz GPBVKHGLFLZPRW-DHIUTWEWSA-N 1 2 518.655 2.020 1 0 KEAFLO CCC[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000027416235 561857240 /nfs/dbraw/zinc/85/72/40/561857240.db2.gz GPBVKHGLFLZPRW-XZOQPEGZSA-N 1 2 518.655 2.020 1 0 KEAFLO CCC[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCC[NH+]1CCOCC1 ZINC000027416240 561857209 /nfs/dbraw/zinc/85/72/09/561857209.db2.gz GPBVKHGLFLZPRW-PKTZIBPZSA-N 1 2 518.655 2.020 1 0 KEAFLO O=C([C@@H](CO)Cn1cc[nH+]c1)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1 ZINC000027422016 561857829 /nfs/dbraw/zinc/85/78/29/561857829.db2.gz FLGGYYXQCFMEFL-IEBWSBKVSA-N 1 2 529.500 2.478 1 0 KEAFLO O=C([C@H](CO)Cn1cc[nH+]c1)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1 ZINC000027422020 561857849 /nfs/dbraw/zinc/85/78/49/561857849.db2.gz FLGGYYXQCFMEFL-PKOBYXMFSA-N 1 2 529.500 2.478 1 0 KEAFLO Nc1nc(CC[C@@H]2O[C@H](COCc3ccc(Br)cc3)[C@@H](O)[C@H]2O)[nH+]c(NC2Cc3ccccc3C2)n1 ZINC000027441427 561860801 /nfs/dbraw/zinc/86/08/01/561860801.db2.gz YKHXZDBNDJXAFC-SGKWCMOWSA-N 1 2 556.461 2.434 1 0 KEAFLO Nc1nc(NC2Cc3ccccc3C2)nc(CC[C@@H]2O[C@H](COCc3ccc(Br)cc3)[C@@H](O)[C@H]2O)[nH+]1 ZINC000027441427 561860800 /nfs/dbraw/zinc/86/08/00/561860800.db2.gz YKHXZDBNDJXAFC-SGKWCMOWSA-N 1 2 556.461 2.434 1 0 KEAFLO Nc1nc(C[C@@H]2O[C@H](COCc3ccc(Br)cc3)[C@@H](O)[C@H]2O)[nH+]c(NC2Cc3ccccc3C2)n1 ZINC000027443719 561861037 /nfs/dbraw/zinc/86/10/37/561861037.db2.gz LNDBVZXTWFBEHF-PABCKOPISA-N 1 2 542.434 2.044 1 0 KEAFLO 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632.781 2.401 1 0 KEAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@H+]1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027618054 561872110 /nfs/dbraw/zinc/87/21/10/561872110.db2.gz ZODQHZGMWPKAJJ-ZAZHENERSA-N 1 2 579.786 2.368 1 0 KEAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCN(Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027618054 561872109 /nfs/dbraw/zinc/87/21/09/561872109.db2.gz ZODQHZGMWPKAJJ-ZAZHENERSA-N 1 2 579.786 2.368 1 0 KEAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1CC[N@@H+](Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027618054 561872108 /nfs/dbraw/zinc/87/21/08/561872108.db2.gz ZODQHZGMWPKAJJ-ZAZHENERSA-N 1 2 579.786 2.368 1 0 KEAFLO C[C@@H]1CC[C@@H](O)[C@H]1NC(=O)[C@H](Cc1ccccc1)C[C@H](O)CN1CC[N@H+](Cc2cccnc2)C[C@H]1C(=O)NC(C)(C)C ZINC000027618054 561872107 /nfs/dbraw/zinc/87/21/07/561872107.db2.gz ZODQHZGMWPKAJJ-ZAZHENERSA-N 1 2 579.786 2.368 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CC1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027619344 561872288 /nfs/dbraw/zinc/87/22/88/561872288.db2.gz SMCDDUFEXPEFNJ-IFYPTFCOSA-N 1 2 577.770 2.424 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](CC1CC1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027619344 561872285 /nfs/dbraw/zinc/87/22/85/561872285.db2.gz SMCDDUFEXPEFNJ-IFYPTFCOSA-N 1 2 577.770 2.424 1 0 KEAFLO CC(C)C[C@H](NC(=O)[C@H](CC(C)C)[NH2+][C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)[O-])C(=O)NCC[NH+]1CCOCC1 ZINC000027741112 561882524 /nfs/dbraw/zinc/88/25/24/561882524.db2.gz OVKVSVACJPYFHM-ULNSLHSMSA-N 1 2 637.778 2.263 1 0 KEAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)C(=O)NC(C)C ZINC000027750652 561883237 /nfs/dbraw/zinc/88/32/37/561883237.db2.gz IBPJGZMJBIETIK-AELUVZMJSA-N 1 2 648.805 2.114 1 0 KEAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc21)[C@@H](O)C(=O)NC(C)C ZINC000027750652 561883236 /nfs/dbraw/zinc/88/32/36/561883236.db2.gz IBPJGZMJBIETIK-AELUVZMJSA-N 1 2 648.805 2.114 1 0 KEAFLO C[C@]12C[C@H](O)[C@@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C[NH+]1CCC(CCO[N+](=O)[O-])CC1 ZINC000027850588 561885912 /nfs/dbraw/zinc/88/59/12/561885912.db2.gz LDEAYLDJHMPGJZ-DPLGUDNSSA-N 1 2 574.671 2.419 1 0 KEAFLO C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)C[NH+]1CCC(CCO[N+](=O)[O-])CC1 ZINC000027850605 561885944 /nfs/dbraw/zinc/88/59/44/561885944.db2.gz LDEAYLDJHMPGJZ-NDMWENEDSA-N 1 2 574.671 2.419 1 0 KEAFLO CS(=O)(=O)Nc1cccc([C@@H](O)C[NH2+]C2CCN(c3ccc(C[C@@H]4SC(=O)NC4=O)cc3)CC2)c1 ZINC000027868100 561887807 /nfs/dbraw/zinc/88/78/07/561887807.db2.gz BFGUKMAGBVXKJK-VXKWHMMOSA-N 1 2 518.661 2.244 1 0 KEAFLO CS(=O)(=O)Nc1cccc([C@@H](O)C[NH2+]C2CCN(c3ccc(C[C@H]4SC(=O)NC4=O)cc3)CC2)c1 ZINC000027868106 561887849 /nfs/dbraw/zinc/88/78/49/561887849.db2.gz BFGUKMAGBVXKJK-FCHUYYIVSA-N 1 2 518.661 2.244 1 0 KEAFLO CN1C(=O)[C@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@H]1CO ZINC000027989081 561892638 /nfs/dbraw/zinc/89/26/38/561892638.db2.gz LUFWCAAWWRWIEJ-WPMUBMLPSA-N 1 2 668.836 2.228 1 0 KEAFLO CN1C(=O)[C@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C[C@H]1CO ZINC000027989081 561892636 /nfs/dbraw/zinc/89/26/36/561892636.db2.gz LUFWCAAWWRWIEJ-WPMUBMLPSA-N 1 2 668.836 2.228 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCN(CCO)C1=O ZINC000027999246 561894398 /nfs/dbraw/zinc/89/43/98/561894398.db2.gz HEWHCKBDARUOCD-IIZANFQQSA-N 1 2 668.836 2.230 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CCN(CCO)C1=O ZINC000027999246 561894396 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KEAFLO C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)CCO1 ZINC000028114622 561903528 /nfs/dbraw/zinc/90/35/28/561903528.db2.gz SOGSCGKVBCVDRN-GOSISDBHSA-N 1 2 502.579 2.003 1 0 KEAFLO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)CCO1 ZINC000028114622 561903526 /nfs/dbraw/zinc/90/35/26/561903526.db2.gz SOGSCGKVBCVDRN-GOSISDBHSA-N 1 2 502.579 2.003 1 0 KEAFLO C[C@H]1C[N@@H+](CC(=O)N2CCN(c3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)CCO1 ZINC000028114629 561903477 /nfs/dbraw/zinc/90/34/77/561903477.db2.gz SOGSCGKVBCVDRN-SFHVURJKSA-N 1 2 502.579 2.003 1 0 KEAFLO C[C@H]1C[N@H+](CC(=O)N2CCN(c3cccc(-c4cc5nc(-c6ccco6)nn5c(N)n4)c3)CC2)CCO1 ZINC000028114629 561903476 /nfs/dbraw/zinc/90/34/76/561903476.db2.gz SOGSCGKVBCVDRN-SFHVURJKSA-N 1 2 502.579 2.003 1 0 KEAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nn2c(C3CCCC3)nc(C)c2c(=O)[nH]1 ZINC000028349061 561915295 /nfs/dbraw/zinc/91/52/95/561915295.db2.gz HGDYRQQUYCUFTK-UHFFFAOYSA-N 1 2 500.625 2.385 1 0 KEAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@H+]1CCN(C[C@@H](O)C[C@@H](Cc2nnco2)C(=O)N[C@H]2CCOC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000028370283 561918226 /nfs/dbraw/zinc/91/82/26/561918226.db2.gz ZFHLJHZZZQIWTQ-XFASLETNSA-N 1 2 728.169 2.154 1 0 KEAFLO CC(C)(c1ncc(-c2ccc(Cl)cc2)o1)[N@@H+]1CCN(C[C@@H](O)C[C@@H](Cc2nnco2)C(=O)N[C@H]2CCOC[C@H]2O)[C@H](C(=O)NCC(F)(F)F)C1 ZINC000028370283 561918225 /nfs/dbraw/zinc/91/82/25/561918225.db2.gz ZFHLJHZZZQIWTQ-XFASLETNSA-N 1 2 728.169 2.154 1 0 KEAFLO CC[N@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@@H]3C(N)=O)sc2C1 ZINC000028376155 561919220 /nfs/dbraw/zinc/91/92/20/561919220.db2.gz HDYHIMRPELUCRC-HXUWFJFHSA-N 1 2 548.090 2.328 1 0 KEAFLO CC[N@@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@@H]3C(N)=O)sc2C1 ZINC000028376155 561919219 /nfs/dbraw/zinc/91/92/19/561919219.db2.gz HDYHIMRPELUCRC-HXUWFJFHSA-N 1 2 548.090 2.328 1 0 KEAFLO COc1cc2c(cc1OCC[NH+]1CCOCC1)ncnc2N1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1 ZINC000028390486 561922087 /nfs/dbraw/zinc/92/20/87/561922087.db2.gz GVRQTPYLKDOOIU-UHFFFAOYSA-N 1 2 566.684 2.275 1 0 KEAFLO CCOC(=O)[C@H]([NH3+])COC(=O)/C(=C(\COC(C)=O)c1ccc(S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000028477120 561928434 /nfs/dbraw/zinc/92/84/34/561928434.db2.gz VYNZIMJZHTVIKC-YUIBMZAKSA-N 1 2 525.526 2.276 1 0 KEAFLO CN1CC[N@@H+](C/C=C/c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@]23CN(CC(F)(F)F)S(=O)(=O)N3)CC1=O ZINC000028522514 561929558 /nfs/dbraw/zinc/92/95/58/561929558.db2.gz BLNOHOHTYGWWGU-PQVBATBBSA-N 1 2 512.598 2.050 1 0 KEAFLO CN1CC[N@H+](C/C=C/c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@]23CN(CC(F)(F)F)S(=O)(=O)N3)CC1=O ZINC000028522514 561929556 /nfs/dbraw/zinc/92/95/56/561929556.db2.gz BLNOHOHTYGWWGU-PQVBATBBSA-N 1 2 512.598 2.050 1 0 KEAFLO CC(=O)N1CC[NH+](C/C=C/c2ccc3c(c2)C[C@H]2CC[C@@H](C3)[C@]23CN(CC(F)(F)F)S(=O)(=O)N3)CC1 ZINC000028522524 561929569 /nfs/dbraw/zinc/92/95/69/561929569.db2.gz VAOKILNPRXTGKB-HONITSIMSA-N 1 2 526.625 2.440 1 0 KEAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c(nc3ccc(Br)cn32)c(=O)[nH]1 ZINC000028525575 561931539 /nfs/dbraw/zinc/93/15/39/561931539.db2.gz SZTTWQCCKOJGGH-UHFFFAOYSA-N 1 2 547.435 2.335 1 0 KEAFLO CCOC(=O)COc1cc(-c2cc(=O)c3c(O)cc(OCC(=O)N4CC[NH+](C)CC4)cc3o2)ccc1OC ZINC000028703026 561947591 /nfs/dbraw/zinc/94/75/91/561947591.db2.gz YKMWXCJMCHABPL-UHFFFAOYSA-N 1 2 526.542 2.269 1 0 KEAFLO NC(=O)c1cc(-c2ccccc2)cc(-c2ccc(S(=O)(=O)NNCCC[NH+]3CCOCC3)cc2)c1N ZINC000028703871 561947904 /nfs/dbraw/zinc/94/79/04/561947904.db2.gz AKUBPEQKDJJOIP-UHFFFAOYSA-N 1 2 509.632 2.207 1 0 KEAFLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)c1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1O ZINC000028712822 561953444 /nfs/dbraw/zinc/95/34/44/561953444.db2.gz PWYYNVZFSLFUDW-CONSDPRKSA-N 1 2 733.786 2.231 1 0 KEAFLO CC(=O)CCCC(=O)N[C@@H]1N=C(Cn2cc[nH+]c2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O ZINC000028759785 561957687 /nfs/dbraw/zinc/95/76/87/561957687.db2.gz WFSXTSGQRGQEGI-IADCTJSHSA-N 1 2 640.528 2.440 1 0 KEAFLO CC(=O)CCCC(=O)N[C@H]1N=C(Cn2cc[nH+]c2)c2ccccc2N(CC(=O)N[C@@H](Cc2ccc(Cl)c(Cl)c2)C(N)=O)C1=O ZINC000028759787 561957692 /nfs/dbraw/zinc/95/76/92/561957692.db2.gz WFSXTSGQRGQEGI-MUAVYFROSA-N 1 2 640.528 2.440 1 0 KEAFLO CC1(C)CNc2c(cccc2S(=O)(=O)N[C@@H](Cc2nc3ccccc3s2)C(=O)N2CC[NH+](CCO)CC2)C1 ZINC000028761964 561958324 /nfs/dbraw/zinc/95/83/24/561958324.db2.gz VMQBZUWJVOIFCV-NRFANRHFSA-N 1 2 557.742 2.317 1 0 KEAFLO Cn1cnc(S(=O)(=O)N(CCS(C)(=O)=O)[C@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)c[nH+]3)C2)c1 ZINC000028816039 561963723 /nfs/dbraw/zinc/96/37/23/561963723.db2.gz DONZNNKCQRRRKO-VWLOTQADSA-N 1 2 568.725 2.487 1 0 KEAFLO Cn1cnc(S(=O)(=O)N(CCS(C)(=O)=O)[C@@H]2Cc3cc(-c4ccccc4)ccc3N(Cc3cn(C)c[nH+]3)C2)c1 ZINC000028816041 561963759 /nfs/dbraw/zinc/96/37/59/561963759.db2.gz DONZNNKCQRRRKO-RUZDIDTESA-N 1 2 568.725 2.487 1 0 KEAFLO Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@H]2Cc3cc(C(=O)NC(C)(C)C)ccc3N(Cc3c[nH+]cn3C)C2)c1 ZINC000028816103 561963961 /nfs/dbraw/zinc/96/39/61/561963961.db2.gz CSYZFJXVGJMRPN-QFIPXVFZSA-N 1 2 598.774 2.219 1 0 KEAFLO Cn1cnc(S(=O)(=O)N(CC(=O)NC(C)(C)C)[C@@H]2Cc3cc(C(=O)NC(C)(C)C)ccc3N(Cc3c[nH+]cn3C)C2)c1 ZINC000028816105 561963955 /nfs/dbraw/zinc/96/39/55/561963955.db2.gz CSYZFJXVGJMRPN-JOCHJYFZSA-N 1 2 598.774 2.219 1 0 KEAFLO CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn(C)cn1)CN2Cc1c[nH+]cn1C ZINC000028816115 561963974 /nfs/dbraw/zinc/96/39/74/561963974.db2.gz VINRRIFXXZSPRO-OFNKIYASSA-N 1 2 598.774 2.219 1 0 KEAFLO CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn(C)cn1)CN2Cc1c[nH+]cn1C ZINC000028816117 561963940 /nfs/dbraw/zinc/96/39/40/561963940.db2.gz VINRRIFXXZSPRO-REWPJTCUSA-N 1 2 598.774 2.219 1 0 KEAFLO CCN(CC)C(=O)c1ccc2c(c1)C[C@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn(C)cn1)CN2Cc1c[nH+]cn1C ZINC000028816130 561963970 /nfs/dbraw/zinc/96/39/70/561963970.db2.gz FCUIETJWOGFCTC-QHCPKHFHSA-N 1 2 598.774 2.173 1 0 KEAFLO CCN(CC)C(=O)c1ccc2c(c1)C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn(C)cn1)CN2Cc1c[nH+]cn1C ZINC000028816132 561963968 /nfs/dbraw/zinc/96/39/68/561963968.db2.gz FCUIETJWOGFCTC-HSZRJFAPSA-N 1 2 598.774 2.173 1 0 KEAFLO COC(=O)c1ccc(Cn2c(=O)c3ccccc3n(Cc3[nH+]c4ccccc4n3CCn3cnnn3)c2=O)cc1 ZINC000028824531 561969768 /nfs/dbraw/zinc/96/97/68/561969768.db2.gz SBMJNCIEBSJORT-UHFFFAOYSA-N 1 2 536.552 2.083 1 0 KEAFLO O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC[NH+]2CCOCC2)C1=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 ZINC000028827339 561971766 /nfs/dbraw/zinc/97/17/66/561971766.db2.gz KCVQZSVWXQUJHF-HYBUGGRVSA-N 1 2 597.667 2.456 1 0 KEAFLO Cc1cc(COc2ccc(C(=O)NCC3(N4CC[NH+](C)CC4)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892618 561978510 /nfs/dbraw/zinc/97/85/10/561978510.db2.gz QQRACKPWBYRJJI-UHFFFAOYSA-N 1 2 530.585 2.045 1 0 KEAFLO CN1CC[NH2+][C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(CC3CCC3)(C(=O)NC(C)(C)C)CC2)C1 ZINC000028949902 561981124 /nfs/dbraw/zinc/98/11/24/561981124.db2.gz UMDFMNRSOJOZSX-LOSJGSFVSA-N 1 2 543.728 2.470 1 0 KEAFLO CC[C@@H]1C[C@H](OC)C[C@H](COC(=O)N2CC[NH+](CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028950666 561981361 /nfs/dbraw/zinc/98/13/61/561981361.db2.gz AVESOBXGFYHSSH-AQNXPRMDSA-N 1 2 504.049 2.033 1 0 KEAFLO CC[C@@H]1C[C@@H](OC)C[C@H](COC(=O)N2CC[NH+](CCO)CC2)N1S(=O)(=O)c1ccc(Cl)cc1 ZINC000028950668 561981397 /nfs/dbraw/zinc/98/13/97/561981397.db2.gz AVESOBXGFYHSSH-VAMGGRTRSA-N 1 2 504.049 2.033 1 0 KEAFLO Cc1[nH+]cn(CC(=O)NN2CCCCC2)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125589 561997884 /nfs/dbraw/zinc/99/78/84/561997884.db2.gz WDBUFVJYMDMFOJ-UHFFFAOYSA-N 1 2 512.636 2.169 1 0 KEAFLO Cc1[nH+]cn(CC(=O)NCC(F)(F)F)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O ZINC000029125724 561997946 /nfs/dbraw/zinc/99/79/46/561997946.db2.gz PNRDNYQCSJTQER-UHFFFAOYSA-N 1 2 511.526 2.330 1 0 KEAFLO CC(C)CCn1nc(-c2cccs2)c(O)c(C2=NS(=O)(=O)c3cc(OCC(=O)N4CC[NH2+]C4)ccc3N2)c1=O ZINC000029128383 562000793 /nfs/dbraw/zinc/00/07/93/562000793.db2.gz QGKHAMASPRFXAJ-UHFFFAOYSA-N 1 2 572.669 2.053 1 0 KEAFLO COCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128403 562000903 /nfs/dbraw/zinc/00/09/03/562000903.db2.gz HNEWRINMMFVHHO-FXAWDEMLSA-N 1 2 545.065 2.041 1 0 KEAFLO COCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128403 562000901 /nfs/dbraw/zinc/00/09/01/562000901.db2.gz HNEWRINMMFVHHO-FXAWDEMLSA-N 1 2 545.065 2.041 1 0 KEAFLO CC(=O)N1CC[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000029128542 562001026 /nfs/dbraw/zinc/00/10/26/562001026.db2.gz RJANOYGGZVXLGN-XLIONFOSSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000029128542 562001025 /nfs/dbraw/zinc/00/10/25/562001025.db2.gz RJANOYGGZVXLGN-XLIONFOSSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000029128543 562000953 /nfs/dbraw/zinc/00/09/53/562000953.db2.gz RJANOYGGZVXLGN-PXNSSMCTSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000029128543 562000952 /nfs/dbraw/zinc/00/09/52/562000952.db2.gz RJANOYGGZVXLGN-PXNSSMCTSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128590 562001002 /nfs/dbraw/zinc/00/10/02/562001002.db2.gz FZXMYKGXLJPDMQ-FXAWDEMLSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128590 562001001 /nfs/dbraw/zinc/00/10/01/562001001.db2.gz FZXMYKGXLJPDMQ-FXAWDEMLSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128591 562000997 /nfs/dbraw/zinc/00/09/97/562000997.db2.gz FZXMYKGXLJPDMQ-PXNSSMCTSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128591 562000995 /nfs/dbraw/zinc/00/09/95/562000995.db2.gz FZXMYKGXLJPDMQ-PXNSSMCTSA-N 1 2 515.039 2.415 1 0 KEAFLO COCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128902 562001464 /nfs/dbraw/zinc/00/14/64/562001464.db2.gz HNEWRINMMFVHHO-XLIONFOSSA-N 1 2 545.065 2.041 1 0 KEAFLO COCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128902 562001463 /nfs/dbraw/zinc/00/14/63/562001463.db2.gz HNEWRINMMFVHHO-XLIONFOSSA-N 1 2 545.065 2.041 1 0 KEAFLO COCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128903 562001470 /nfs/dbraw/zinc/00/14/70/562001470.db2.gz HNEWRINMMFVHHO-PXNSSMCTSA-N 1 2 545.065 2.041 1 0 KEAFLO COCC(=O)N1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128903 562001469 /nfs/dbraw/zinc/00/14/69/562001469.db2.gz HNEWRINMMFVHHO-PXNSSMCTSA-N 1 2 545.065 2.041 1 0 KEAFLO COCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029128904 562001445 /nfs/dbraw/zinc/00/14/45/562001445.db2.gz HNEWRINMMFVHHO-YLJYHZDGSA-N 1 2 545.065 2.041 1 0 KEAFLO COCC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029128904 562001444 /nfs/dbraw/zinc/00/14/44/562001444.db2.gz HNEWRINMMFVHHO-YLJYHZDGSA-N 1 2 545.065 2.041 1 0 KEAFLO COC(=O)CN1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000029129025 562001546 /nfs/dbraw/zinc/00/15/46/562001546.db2.gz WTSSTLZUUVAUKI-FXAWDEMLSA-N 1 2 545.065 2.041 1 0 KEAFLO COC(=O)CN1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000029129025 562001544 /nfs/dbraw/zinc/00/15/44/562001544.db2.gz WTSSTLZUUVAUKI-FXAWDEMLSA-N 1 2 545.065 2.041 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CN(CCO)C(=O)O1 ZINC000029339106 562014790 /nfs/dbraw/zinc/01/47/90/562014790.db2.gz JDEPQSWJJOQGPH-MYHRABSESA-N 1 2 670.808 2.202 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CN(CCO)C(=O)O1 ZINC000029339106 562014788 /nfs/dbraw/zinc/01/47/88/562014788.db2.gz JDEPQSWJJOQGPH-MYHRABSESA-N 1 2 670.808 2.202 1 0 KEAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CS(=O)(=O)C(C)C ZINC000029342019 562015496 /nfs/dbraw/zinc/01/54/96/562015496.db2.gz BOCFHWQRLDPGEF-KEVKATSASA-N 1 2 621.801 2.288 1 0 KEAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CS(=O)(=O)C(C)C ZINC000029342019 562015495 /nfs/dbraw/zinc/01/54/95/562015495.db2.gz BOCFHWQRLDPGEF-KEVKATSASA-N 1 2 621.801 2.288 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CNC(=O)O1 ZINC000029342775 562015619 /nfs/dbraw/zinc/01/56/19/562015619.db2.gz ZXQQJGXVTIEOHT-JSLVBRCRSA-N 1 2 626.755 2.498 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H]1CNC(=O)O1 ZINC000029342775 562015618 /nfs/dbraw/zinc/01/56/18/562015618.db2.gz ZXQQJGXVTIEOHT-JSLVBRCRSA-N 1 2 626.755 2.498 1 0 KEAFLO Cc1nn(C)c(NC(=O)C[NH+]2CCC3(CC2)C(=O)NCN3c2ccccc2)c1C(=O)c1ccccc1F ZINC000029391617 562017528 /nfs/dbraw/zinc/01/75/28/562017528.db2.gz MHHGLMWSPKYQKD-UHFFFAOYSA-N 1 2 504.566 2.466 1 0 KEAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H](CC(=O)N(C)CCOCOC)Cc2ccccc2)OC1=O ZINC000029568511 562034887 /nfs/dbraw/zinc/03/48/87/562034887.db2.gz BLTYAQBLWIMBHV-QCZWDIFZSA-N 1 2 698.862 2.422 1 0 KEAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H](CC(=O)N(C)CCOCOC)Cc2ccccc2)OC1=O ZINC000029568511 562034886 /nfs/dbraw/zinc/03/48/86/562034886.db2.gz BLTYAQBLWIMBHV-QCZWDIFZSA-N 1 2 698.862 2.422 1 0 KEAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)C(C)C)OC1=O ZINC000029568679 562035048 /nfs/dbraw/zinc/03/50/48/562035048.db2.gz POTCTOHRDLVUOY-VFFRCKCKSA-N 1 2 654.809 2.486 1 0 KEAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)C(C)C)OC1=O ZINC000029568679 562035046 /nfs/dbraw/zinc/03/50/46/562035046.db2.gz POTCTOHRDLVUOY-VFFRCKCKSA-N 1 2 654.809 2.486 1 0 KEAFLO CCOc1ncc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1-c1nc2c(nn3c2[C@H](C)CCC3)c(=O)[nH]1 ZINC000034251404 562038500 /nfs/dbraw/zinc/03/85/00/562038500.db2.gz NFEUJXUJQIRMLU-OAHLLOKOSA-N 1 2 501.613 2.216 1 0 KEAFLO CCOc1ncc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1-c1nc2c(nn3c2[C@@H](C)CCC3)c(=O)[nH]1 ZINC000034251405 562038519 /nfs/dbraw/zinc/03/85/19/562038519.db2.gz NFEUJXUJQIRMLU-HNNXBMFYSA-N 1 2 501.613 2.216 1 0 KEAFLO CC1(C)Cc2c3c(nc(N4CCOCC4)c2CO1)sc1c3ncnc1N(CCO)CC[NH+]1CCOCC1 ZINC000034638468 562039418 /nfs/dbraw/zinc/03/94/18/562039418.db2.gz GJJMKGXNHORNRI-UHFFFAOYSA-N 1 2 528.679 2.058 1 0 KEAFLO Nc1ccc(CNC(=O)[C@@H]2CC[C@H]3CN(S(=O)(=O)CC(c4ccccc4)c4ccccc4)CC(=O)N32)c[nH+]1 ZINC000034689149 562039575 /nfs/dbraw/zinc/03/95/75/562039575.db2.gz ONDQNRKGEUDKKY-ZCYQVOJMSA-N 1 2 533.654 2.117 1 0 KEAFLO CC(=O)N1CC[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000034689261 562039758 /nfs/dbraw/zinc/03/97/58/562039758.db2.gz RJANOYGGZVXLGN-FXAWDEMLSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000034689261 562039756 /nfs/dbraw/zinc/03/97/56/562039756.db2.gz RJANOYGGZVXLGN-FXAWDEMLSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000034689262 562039798 /nfs/dbraw/zinc/03/97/98/562039798.db2.gz RJANOYGGZVXLGN-YLJYHZDGSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)C1 ZINC000034689262 562039796 /nfs/dbraw/zinc/03/97/96/562039796.db2.gz RJANOYGGZVXLGN-YLJYHZDGSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000034689263 562039841 /nfs/dbraw/zinc/03/98/41/562039841.db2.gz FZXMYKGXLJPDMQ-YLJYHZDGSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000034689263 562039840 /nfs/dbraw/zinc/03/98/40/562039840.db2.gz FZXMYKGXLJPDMQ-YLJYHZDGSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000034689264 562039910 /nfs/dbraw/zinc/03/99/10/562039910.db2.gz FZXMYKGXLJPDMQ-XLIONFOSSA-N 1 2 515.039 2.415 1 0 KEAFLO CC(=O)N1CC[C@@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000034689264 562039909 /nfs/dbraw/zinc/03/99/09/562039909.db2.gz FZXMYKGXLJPDMQ-XLIONFOSSA-N 1 2 515.039 2.415 1 0 KEAFLO O=C(C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000035270091 562044993 /nfs/dbraw/zinc/04/49/93/562044993.db2.gz QUWWIESFFMGIEG-JOCHJYFZSA-N 1 2 525.569 2.429 1 0 KEAFLO O=C(C[C@H]1CN(C(=O)c2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000035270096 562044997 /nfs/dbraw/zinc/04/49/97/562044997.db2.gz QUWWIESFFMGIEG-QFIPXVFZSA-N 1 2 525.569 2.429 1 0 KEAFLO O=C(C[C@@H]1CN(c2cccc(F)n2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000035270693 562044943 /nfs/dbraw/zinc/04/49/43/562044943.db2.gz ZYJJCOLCHBJORK-LJQANCHMSA-N 1 2 516.537 2.327 1 0 KEAFLO Cc1cc(N2CCN(C(=O)C(C)C)[C@H](CC(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2cc[nH+]c2)n1 ZINC000035273331 562045123 /nfs/dbraw/zinc/04/51/23/562045123.db2.gz BNKGEZQUYVVMBA-HXUWFJFHSA-N 1 2 505.579 2.079 1 0 KEAFLO O=C(C[C@@H]1CN(C(=O)c2ccco2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000035274459 562045137 /nfs/dbraw/zinc/04/51/37/562045137.db2.gz LODDVTSCZXYADZ-LJQANCHMSA-N 1 2 515.530 2.022 1 0 KEAFLO O=C(C[C@H]1CN(C(=O)c2ccco2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000035274465 562045125 /nfs/dbraw/zinc/04/51/25/562045125.db2.gz LODDVTSCZXYADZ-IBGZPJMESA-N 1 2 515.530 2.022 1 0 KEAFLO CC(C)OC(=O)N1CCN(c2ccnc(-n3cc[nH+]c3)n2)[C@H](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000035274474 562045119 /nfs/dbraw/zinc/04/51/19/562045119.db2.gz PUXXMEUMZYBGLD-LJQANCHMSA-N 1 2 507.551 2.133 1 0 KEAFLO CC(C)OC(=O)N1CCN(c2ccnc(-n3cc[nH+]c3)n2)[C@@H](CC(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000035274480 562045106 /nfs/dbraw/zinc/04/51/06/562045106.db2.gz PUXXMEUMZYBGLD-IBGZPJMESA-N 1 2 507.551 2.133 1 0 KEAFLO Cc1cc(N2CCN(C(=O)C(C)C)[C@@H](CC(=O)NCc3ccc4c(c3)OCO4)C2)nc(-n2cc[nH+]c2)n1 ZINC000035275915 562045143 /nfs/dbraw/zinc/04/51/43/562045143.db2.gz BNKGEZQUYVVMBA-FQEVSTJZSA-N 1 2 505.579 2.079 1 0 KEAFLO O=C(C[C@@H]1CN(C(=O)NCc2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089241 562046743 /nfs/dbraw/zinc/04/67/43/562046743.db2.gz TXDBPIRWDGSMJW-HSZRJFAPSA-N 1 2 554.611 2.498 1 0 KEAFLO O=C(C[C@H]1CN(C(=O)NCc2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089244 562046758 /nfs/dbraw/zinc/04/67/58/562046758.db2.gz TXDBPIRWDGSMJW-QHCPKHFHSA-N 1 2 554.611 2.498 1 0 KEAFLO O=C(C[C@@H]1CN(C(=O)COCc2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089246 562046734 /nfs/dbraw/zinc/04/67/34/562046734.db2.gz HPYBQXBLGMGFEK-XMMPIXPASA-N 1 2 569.622 2.332 1 0 KEAFLO O=C(C[C@H]1CN(C(=O)COCc2ccccc2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000036089249 562046785 /nfs/dbraw/zinc/04/67/85/562046785.db2.gz HPYBQXBLGMGFEK-DEOSSOPVSA-N 1 2 569.622 2.332 1 0 KEAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2CCNC1=O ZINC000036160643 562048547 /nfs/dbraw/zinc/04/85/47/562048547.db2.gz JPAYVRHIRBREHC-BFLUCZKCSA-N 1 2 524.662 2.070 1 0 KEAFLO CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)[NH2+]CCOc2ccccc2CCCNC1=O ZINC000036160682 562048557 /nfs/dbraw/zinc/04/85/57/562048557.db2.gz ZLJNGPRUYMSGTO-ZWEKWIFMSA-N 1 2 538.689 2.460 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CO ZINC000036191123 562051165 /nfs/dbraw/zinc/05/11/65/562051165.db2.gz OAEFYSDRYHAJLP-CQJMVLFOSA-N 1 2 571.719 2.381 1 0 KEAFLO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CO ZINC000036191123 562051164 /nfs/dbraw/zinc/05/11/64/562051164.db2.gz OAEFYSDRYHAJLP-CQJMVLFOSA-N 1 2 571.719 2.381 1 0 KEAFLO CN(CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)C(=O)CCCC[C@@H](CCSC(=O)C[NH3+])SC(=O)C[NH3+] ZINC000036757838 562061335 /nfs/dbraw/zinc/06/13/35/562061335.db2.gz DXTVDLQHHFQIOS-VQTJNVASSA-N 1 2 584.786 2.174 1 0 KEAFLO CN(CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)C(=O)CCCC[C@@H](CCSC(=O)C[NH3+])SC(=O)C[NH3+] ZINC000036757839 562061391 /nfs/dbraw/zinc/06/13/91/562061391.db2.gz DXTVDLQHHFQIOS-PMACEKPBSA-N 1 2 584.786 2.174 1 0 KEAFLO CN(CCOc1ccc(C[C@H]2SC(=O)[N-]C2=O)cc1)C(=O)CCCC[C@H](CCSC(=O)C[NH3+])SC(=O)C[NH3+] ZINC000036757840 562061381 /nfs/dbraw/zinc/06/13/81/562061381.db2.gz DXTVDLQHHFQIOS-WOJBJXKFSA-N 1 2 584.786 2.174 1 0 KEAFLO CN(CCOc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1)C(=O)CCCC[C@H](CCSC(=O)C[NH3+])SC(=O)C[NH3+] ZINC000036757841 562061355 /nfs/dbraw/zinc/06/13/55/562061355.db2.gz DXTVDLQHHFQIOS-UXHICEINSA-N 1 2 584.786 2.174 1 0 KEAFLO C[C@@H]1C[C@@]2([NH+]=C(N)CS2)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@@H](C6=CC(=O)OC6)CC[C@]54O)C[C@H]3O[C@@H]2O1 ZINC000038149387 562066006 /nfs/dbraw/zinc/06/60/06/562066006.db2.gz JHKLDCGHXADNGS-DJHKYUSNSA-N 1 2 602.750 2.440 1 0 KEAFLO CCCOc1ncc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1-c1nc2c(nn3c2CCCC3)c(=O)[nH]1 ZINC000038404783 562071892 /nfs/dbraw/zinc/07/18/92/562071892.db2.gz LWDOPFCOFQXPFZ-UHFFFAOYSA-N 1 2 501.613 2.045 1 0 KEAFLO C[NH+]1CCN(S(=O)(=O)c2ccc(-c3cnc(N)c(C(=O)Nc4cccnc4)n3)c(C(F)(F)F)c2)CC1 ZINC000038475906 562072080 /nfs/dbraw/zinc/07/20/80/562072080.db2.gz OBMADRXYXXTZEF-UHFFFAOYSA-N 1 2 521.525 2.328 1 0 KEAFLO CC(=O)Nc1ccc2[nH+]c(N[C@@H]3C(=O)N4C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS[C@H]34)[nH]c2c1 ZINC000040631706 562078559 /nfs/dbraw/zinc/07/85/59/562078559.db2.gz GOIPWJFLLADUKC-YLJYHZDGSA-N 1 2 501.565 2.376 1 0 KEAFLO CC(=O)Nc1ccc2[nH+]c(N[C@@H]3C(=O)N4C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS[C@@H]34)[nH]c2c1 ZINC000040631708 562078581 /nfs/dbraw/zinc/07/85/81/562078581.db2.gz GOIPWJFLLADUKC-XLIONFOSSA-N 1 2 501.565 2.376 1 0 KEAFLO CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CC[NH+](Cc5ccc(C)cc5)CC4)cc3)nc2c1=O ZINC000040935593 562084982 /nfs/dbraw/zinc/08/49/82/562084982.db2.gz PZBIUBHFZVPFEU-UHFFFAOYSA-N 1 2 522.631 2.305 1 0 KEAFLO CN1C(=O)N(C[C@H](O)C[NH+]2CCN(C(=O)c3ccco3)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000040939147 562085675 /nfs/dbraw/zinc/08/56/75/562085675.db2.gz KWYODJWXFDDBHG-HSZRJFAPSA-N 1 2 502.571 2.236 1 0 KEAFLO CN1C(=O)N(C[C@@H](O)C[NH+]2CCN(C(=O)c3ccco3)CC2)C(c2ccccc2)(c2ccccc2)C1=O ZINC000040939149 562085639 /nfs/dbraw/zinc/08/56/39/562085639.db2.gz KWYODJWXFDDBHG-QHCPKHFHSA-N 1 2 502.571 2.236 1 0 KEAFLO CCCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(C3C[NH+](C)C3)nc2c(=O)[nH]1 ZINC000042799573 562087888 /nfs/dbraw/zinc/08/78/88/562087888.db2.gz COVMDAYFLBAMRZ-UHFFFAOYSA-N 1 2 558.709 2.148 1 0 KEAFLO Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043059815 562645155 /nfs/dbraw/zinc/64/51/55/562645155.db2.gz YYXALCJMKIYWGW-IZZNHLLZSA-N 1 2 538.670 2.066 1 0 KEAFLO Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043059815 562645154 /nfs/dbraw/zinc/64/51/54/562645154.db2.gz YYXALCJMKIYWGW-IZZNHLLZSA-N 1 2 538.670 2.066 1 0 KEAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc(=O)c2c(O)cc(OC)c(I)c2[nH]1 ZINC000043066382 562645363 /nfs/dbraw/zinc/64/53/63/562645363.db2.gz YZJDRCFLNZYPSN-UHFFFAOYSA-N 1 2 600.435 2.244 1 0 KEAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc2c(F)c(OC)cc(OC)c2c(=O)[nH]1 ZINC000043077518 562645732 /nfs/dbraw/zinc/64/57/32/562645732.db2.gz GMFMTCBXXXBWTN-UHFFFAOYSA-N 1 2 506.556 2.081 1 0 KEAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc(=O)c2c(O)cc(OC)c(Cl)c2[nH]1 ZINC000043078220 562645755 /nfs/dbraw/zinc/64/57/55/562645755.db2.gz QKPCETCSDWCSBI-UHFFFAOYSA-N 1 2 508.984 2.293 1 0 KEAFLO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043078880 562645812 /nfs/dbraw/zinc/64/58/12/562645812.db2.gz BKYKXVXLKWXYKU-RRPNLBNLSA-N 1 2 553.681 2.492 1 0 KEAFLO COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000043078880 562645811 /nfs/dbraw/zinc/64/58/11/562645811.db2.gz BKYKXVXLKWXYKU-RRPNLBNLSA-N 1 2 553.681 2.492 1 0 KEAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc(=O)c2c(O)cc(OC)c(CC)c2[nH]1 ZINC000043120741 562646106 /nfs/dbraw/zinc/64/61/06/562646106.db2.gz MPLBAUPFTBFKCG-UHFFFAOYSA-N 1 2 502.593 2.202 1 0 KEAFLO CCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc(=O)c2c(O)cc(OC)c(Br)c2[nH]1 ZINC000043122701 562646214 /nfs/dbraw/zinc/64/62/14/562646214.db2.gz KRNBLPOECFMKEY-UHFFFAOYSA-N 1 2 553.435 2.402 1 0 KEAFLO CC1(C)CCc2c(c3c(nc2N2CCOCC2)oc2c3ncnc2N(CCO)CC[NH+]2CCOCC2)C1 ZINC000043152217 562646416 /nfs/dbraw/zinc/64/64/16/562646416.db2.gz JPPKVWKIBHEEGN-UHFFFAOYSA-N 1 2 510.639 2.253 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[N@@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000043411414 562648318 /nfs/dbraw/zinc/64/83/18/562648318.db2.gz GNAFBSFVPOUZOX-YAUXLTKRSA-N 1 2 614.791 2.262 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)CCN1C[C@@H](O)C[C@@H](Cc1cccnc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000043411414 562648317 /nfs/dbraw/zinc/64/83/17/562648317.db2.gz GNAFBSFVPOUZOX-YAUXLTKRSA-N 1 2 614.791 2.262 1 0 KEAFLO CC[C@@H](C)NC(=O)c1ccc2c(c1)C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn(C)cn1)CN2Cc1c[nH+]cn1C ZINC000044086977 562652277 /nfs/dbraw/zinc/65/22/77/562652277.db2.gz VINRRIFXXZSPRO-NFBKMPQASA-N 1 2 598.774 2.219 1 0 KEAFLO CC[C@H](C)NC(=O)c1ccc2c(c1)C[C@@H](N(CC(=O)NC(C)(C)C)S(=O)(=O)c1cn(C)cn1)CN2Cc1c[nH+]cn1C ZINC000044086980 562652297 /nfs/dbraw/zinc/65/22/97/562652297.db2.gz VINRRIFXXZSPRO-NZQKXSOJSA-N 1 2 598.774 2.219 1 0 KEAFLO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1[NH2+]CCN(Cc2ccccc2)C1=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000044280519 562652877 /nfs/dbraw/zinc/65/28/77/562652877.db2.gz UHJGJWDAUJTJOC-MOIOARCMSA-N 1 2 576.644 2.402 1 0 KEAFLO O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@@H]1[NH2+]CCN(Cc2ccccc2)C1=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 ZINC000044280525 562652911 /nfs/dbraw/zinc/65/29/11/562652911.db2.gz UHJGJWDAUJTJOC-FOZWXVBRSA-N 1 2 576.644 2.402 1 0 KEAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3O[C@@H](C)COC)[nH]c(=O)c2nn1Cc1ccccn1 ZINC000044281744 562653248 /nfs/dbraw/zinc/65/32/48/562653248.db2.gz AXJKWRLSLUKVML-IBGZPJMESA-N 1 2 596.714 2.340 1 0 KEAFLO CN(CCO)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000044430669 562657589 /nfs/dbraw/zinc/65/75/89/562657589.db2.gz CSQOMQKOXBMZBO-PAXLWEDBSA-N 1 2 573.119 2.414 1 0 KEAFLO CN(CCO)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000044430669 562657588 /nfs/dbraw/zinc/65/75/88/562657588.db2.gz CSQOMQKOXBMZBO-PAXLWEDBSA-N 1 2 573.119 2.414 1 0 KEAFLO O=C(Cn1c(=O)oc2ccccc21)N1CCC(n2c3ccccc3n(CCC[NH+]3CCOCC3)c2=O)CC1 ZINC000045229875 562659574 /nfs/dbraw/zinc/65/95/74/562659574.db2.gz UPOPHOOLLFDCRI-UHFFFAOYSA-N 1 2 519.602 2.297 1 0 KEAFLO CCCn1c(=O)[nH]c2[nH]c(-c3ccc(S(=O)(=O)N4CC[NH+](CCc5ccccc5)CC4)cc3)nc2c1=O ZINC000045497190 562662738 /nfs/dbraw/zinc/66/27/38/562662738.db2.gz UOSGXUGKZYRNKU-UHFFFAOYSA-N 1 2 522.631 2.039 1 0 KEAFLO COc1cccc(C(=O)Nc2ccc(OCC[NH+]3CCN(S(C)(=O)=O)CC3)c(-c3ccnn3C)c2)c1 ZINC000049089410 562664466 /nfs/dbraw/zinc/66/44/66/562664466.db2.gz BNCLJFZXGJBOMA-UHFFFAOYSA-N 1 2 513.620 2.304 1 0 KEAFLO Cn1cc(NC(=O)c2ccc(C(=O)c3ccc(C(=O)Nc4cc(C(=O)NCC[NH+]5CCOCC5)n(C)c4)cc3)cc2)cc1C(=O)NCCN1CCOCC1 ZINC000049614143 562666531 /nfs/dbraw/zinc/66/65/31/562666531.db2.gz HTLAEYANZFMMAZ-UHFFFAOYSA-N 1 2 738.846 2.223 1 0 KEAFLO O=C(OC[C@H]1COC[C@@H](c2cc(F)cc(F)c2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](CCO)CC1 ZINC000049694423 562669298 /nfs/dbraw/zinc/66/92/98/562669298.db2.gz LRLDBKFKEAFWHL-GGAORHGYSA-N 1 2 560.019 2.496 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3nc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049756414 562674999 /nfs/dbraw/zinc/67/49/99/562674999.db2.gz PXTUJKPBKRSACG-JLJPHGGASA-N 1 2 544.081 2.446 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3nc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049756414 562674998 /nfs/dbraw/zinc/67/49/98/562674998.db2.gz PXTUJKPBKRSACG-JLJPHGGASA-N 1 2 544.081 2.446 1 0 KEAFLO CCC(=O)N[C@H]1C[C@@H](n2cnc3c2nc(NCCc2cn(C(C)C)c[nH+]2)nc3NC(CC)CC)[C@H](O)[C@@H]1O ZINC000049756780 562675206 /nfs/dbraw/zinc/67/52/06/562675206.db2.gz UFOFIXPTTUABPS-CSGUBPAMSA-N 1 2 527.674 2.420 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049757023 562675394 /nfs/dbraw/zinc/67/53/94/562675394.db2.gz RQALTJZKSUBDKY-UQASEVPWSA-N 1 2 571.103 2.411 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3ccc(Cl)cc3[nH]c2=O)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049757023 562675393 /nfs/dbraw/zinc/67/53/93/562675393.db2.gz RQALTJZKSUBDKY-UQASEVPWSA-N 1 2 571.103 2.411 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2nc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049757276 562675752 /nfs/dbraw/zinc/67/57/52/562675752.db2.gz ULJORWGWMSQAAC-QANKJYHBSA-N 1 2 544.081 2.446 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2nc3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049757276 562675751 /nfs/dbraw/zinc/67/57/51/562675751.db2.gz ULJORWGWMSQAAC-QANKJYHBSA-N 1 2 544.081 2.446 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc(=O)c3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049762041 562676280 /nfs/dbraw/zinc/67/62/80/562676280.db2.gz NFTHBHJSBBKFKQ-ADLFWFRXSA-N 1 2 571.103 2.411 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc(=O)c3cc(Cl)ccc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049762041 562676279 /nfs/dbraw/zinc/67/62/79/562676279.db2.gz NFTHBHJSBBKFKQ-ADLFWFRXSA-N 1 2 571.103 2.411 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ncc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049762337 562676469 /nfs/dbraw/zinc/67/64/69/562676469.db2.gz MZKORJAMCPLKHK-JLJPHGGASA-N 1 2 544.081 2.446 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cc3cc(Cl)ncc3[nH]2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049762337 562676468 /nfs/dbraw/zinc/67/64/68/562676468.db2.gz MZKORJAMCPLKHK-JLJPHGGASA-N 1 2 544.081 2.446 1 0 KEAFLO CCC(CC)CNc1nc(NCCc2cn(CC)c[nH+]2)nc2c1ncn2[C@@H]1C[C@H](n2cc(CO)cn2)[C@@H](O)[C@H]1O ZINC000049767442 562677603 /nfs/dbraw/zinc/67/76/03/562677603.db2.gz NCSZDLWKVPXZCB-AWAHEQQVSA-N 1 2 552.684 2.142 1 0 KEAFLO O=C([C@@H]1O[C@@]2(c3ccccc3)CN(C(c3ccccc3)c3ccccc3)C(=O)[C@@H]1O2)N1CC[NH+](CCO)CC1 ZINC000049767755 562677710 /nfs/dbraw/zinc/67/77/10/562677710.db2.gz SKTLHBGMDPAOPZ-WUNLWTINSA-N 1 2 527.621 2.392 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cn3ccc(Cl)cc3n2)[C@H](NC(=O)c2nc3c(s2)C[N@@H+](C)CC3)C1 ZINC000049771277 562678077 /nfs/dbraw/zinc/67/80/77/562678077.db2.gz BMQNRNJEGSOAQO-QILLFSRXSA-N 1 2 544.081 2.217 1 0 KEAFLO CN(C)C(=O)[C@H]1CC[C@H](NC(=O)c2cn3ccc(Cl)cc3n2)[C@H](NC(=O)c2nc3c(s2)C[N@H+](C)CC3)C1 ZINC000049771277 562678076 /nfs/dbraw/zinc/67/80/76/562678076.db2.gz BMQNRNJEGSOAQO-QILLFSRXSA-N 1 2 544.081 2.217 1 0 KEAFLO Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3ncn4[C@H]3O[C@H](C(=O)NCC[NH+]4CCOCC4)[C@@H](O)[C@H]3O)c3ccccc32)c1 ZINC000049771678 562678335 /nfs/dbraw/zinc/67/83/35/562678335.db2.gz KOLFVPKBVMXAHE-OLBUMSFYSA-N 1 2 654.772 2.168 1 0 KEAFLO Cc1ccc(C)c(Cn2cc(CCNc3ncnc4c3ncn4[C@@H]3O[C@H](C(=O)NCC[NH+]4CCOCC4)[C@@H](O)[C@H]3O)c3ccccc32)c1 ZINC000049771679 562678342 /nfs/dbraw/zinc/67/83/42/562678342.db2.gz KOLFVPKBVMXAHE-XYIJYTLJSA-N 1 2 654.772 2.168 1 0 KEAFLO Nc1ccccc1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000049775151 562678921 /nfs/dbraw/zinc/67/89/21/562678921.db2.gz PAMAPVQVPYBSOZ-NSOVKSMOSA-N 1 2 613.675 2.408 1 0 KEAFLO Nc1ccccc1NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000049775151 562678920 /nfs/dbraw/zinc/67/89/20/562678920.db2.gz PAMAPVQVPYBSOZ-NSOVKSMOSA-N 1 2 613.675 2.408 1 0 KEAFLO CN(CCc1ccccn1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1 ZINC000049775475 562679075 /nfs/dbraw/zinc/67/90/75/562679075.db2.gz OAQASVIFFMFAFO-KYJUHHDHSA-N 1 2 641.729 2.283 1 0 KEAFLO CN(CCc1ccccn1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1 ZINC000049775475 562679074 /nfs/dbraw/zinc/67/90/74/562679074.db2.gz OAQASVIFFMFAFO-KYJUHHDHSA-N 1 2 641.729 2.283 1 0 KEAFLO O=C(NCc1ccc(Cl)cc1)c1cn2c3c(cc(CN4CCOCC4)cc3N(CCC[NH+]3CCOCC3)C(=O)C2)c1=O ZINC000049778040 562680860 /nfs/dbraw/zinc/68/08/60/562680860.db2.gz MIMMMKICJNMAFR-UHFFFAOYSA-N 1 2 594.112 2.486 1 0 KEAFLO COC[C@H]1CCCN1C(=O)CCCC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(S(=O)(=O)c2cccc(C)c2)CC[NH2+]1 ZINC000049780416 562681713 /nfs/dbraw/zinc/68/17/13/562681713.db2.gz JLFKQAZHVFIYJZ-BJJDYEEQSA-N 1 2 636.762 2.132 1 0 KEAFLO Cc1cc(CN2CCN(c3c4[nH]c(N5CC[NH+](Cn6cccn6)CC5)nc4ncc3Br)CC2)no1 ZINC000049780552 562681897 /nfs/dbraw/zinc/68/18/97/562681897.db2.gz FUBLBHYYAXSWJZ-UHFFFAOYSA-N 1 2 541.458 2.315 1 0 KEAFLO COC[C@H]1CCCN1C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3ccccn3)CC[NH2+]2)c1 ZINC000049783892 562683289 /nfs/dbraw/zinc/68/32/89/562683289.db2.gz KHFQYPUPIKRNJS-KQWYEKEHSA-N 1 2 671.767 2.284 1 0 KEAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(C)(=O)=O)CC[NH2+]2)c1 ZINC000049784018 562683390 /nfs/dbraw/zinc/68/33/90/562683390.db2.gz NJMFDNQZIQZAMU-VJGNERBWSA-N 1 2 594.725 2.471 1 0 KEAFLO CCNc1cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CN(S(=O)(=O)c3cccc(C)c3)CC[NH2+]2)cc(N(C)S(C)(=O)=O)c1 ZINC000049802717 562685872 /nfs/dbraw/zinc/68/58/72/562685872.db2.gz MVOYKPUYNWGAIT-JBOQNHBVSA-N 1 2 679.812 2.466 1 0 KEAFLO O=C(CCNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1nccs1 ZINC000049864994 562689332 /nfs/dbraw/zinc/68/93/32/562689332.db2.gz HBGWLOASNOTGQY-ZEQRLZLVSA-N 1 2 605.677 2.282 1 0 KEAFLO O=C(CCNC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1)N[C@@H](Cc1ccc(O)cc1)C(=O)Nc1nccs1 ZINC000049864994 562689331 /nfs/dbraw/zinc/68/93/31/562689331.db2.gz HBGWLOASNOTGQY-ZEQRLZLVSA-N 1 2 605.677 2.282 1 0 KEAFLO CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2[NH2+]CCNC2=O)c1 ZINC000049877854 562690318 /nfs/dbraw/zinc/69/03/18/562690318.db2.gz GDNDXNUOEVYPDM-SDHOMARFSA-N 1 2 530.616 2.325 1 0 KEAFLO CCCCN1C[C@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2[NH2+]CCN(Cc3ccccc3)C2=O)CC1=O ZINC000049878310 562690526 /nfs/dbraw/zinc/69/05/26/562690526.db2.gz TYJONTNQQYNQAI-PSAFMIEJSA-N 1 2 542.627 2.002 1 0 KEAFLO CCCCN1C[C@@H](C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@@H]2[NH2+]CCN(Cc3ccccc3)C2=O)CC1=O ZINC000049878313 562690494 /nfs/dbraw/zinc/69/04/94/562690494.db2.gz TYJONTNQQYNQAI-OIMINJBOSA-N 1 2 542.627 2.002 1 0 KEAFLO O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccccc2)n1)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)Nc1ccc(F)cc1F ZINC000049918259 562694649 /nfs/dbraw/zinc/69/46/49/562694649.db2.gz RKCNDHYECWNZSF-UPVQGACJSA-N 1 2 591.575 2.430 1 0 KEAFLO O=C(CNC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccccc2)n1)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)Nc1ccc(F)cc1F ZINC000049918259 562694648 /nfs/dbraw/zinc/69/46/48/562694648.db2.gz RKCNDHYECWNZSF-UPVQGACJSA-N 1 2 591.575 2.430 1 0 KEAFLO COC1=C(Br)[C@H](O)[C@@]2(C=C1Br)CC(C(=O)NCCc1cn(-c3cc(O)c4[nH]cc(O)c(=O)c4c3O)c[nH+]1)=NO2 ZINC000058487242 562698114 /nfs/dbraw/zinc/69/81/14/562698114.db2.gz ZWKWCDKTCUKSQC-LADGPHEKSA-N 1 2 667.267 2.323 1 0 KEAFLO CC[N@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@H]3C(N)=O)sc2C1 ZINC000058542932 562699064 /nfs/dbraw/zinc/69/90/64/562699064.db2.gz HDYHIMRPELUCRC-FQEVSTJZSA-N 1 2 548.090 2.328 1 0 KEAFLO CC[N@@H+]1CCc2nc(C(=O)N3CCN(S(=O)(=O)c4ccc5cc(Cl)ccc5c4)C[C@H]3C(N)=O)sc2C1 ZINC000058542932 562699063 /nfs/dbraw/zinc/69/90/63/562699063.db2.gz HDYHIMRPELUCRC-FQEVSTJZSA-N 1 2 548.090 2.328 1 0 KEAFLO [NH2+]=C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)NC(=O)CCCn1cc(CO)nn1 ZINC000058583839 562700168 /nfs/dbraw/zinc/70/01/68/562700168.db2.gz PKOSBEQUIDPYHS-GDLZYMKVSA-N 1 2 640.745 2.310 1 0 KEAFLO CS(=O)(=O)N1CC[NH+](Cc2cc3c(nc(-c4cccc5n[nH]cc54)nc3N3CCOCC3)s2)CC1 ZINC000059222861 562701897 /nfs/dbraw/zinc/70/18/97/562701897.db2.gz GVKWJWXRSWROJM-UHFFFAOYSA-N 1 2 513.649 2.148 1 0 KEAFLO CC(C)(c1ccc(OC[C@H](O)CN2CCOCC2)cc1)c1ccc(OC[C@H](O)C[NH+]2CCOCC2)cc1 ZINC000064513038 562706343 /nfs/dbraw/zinc/70/63/43/562706343.db2.gz GEOBBRQUNBTYOO-CLJLJLNGSA-N 1 2 514.663 2.156 1 0 KEAFLO CC(C)(c1ccc(OC[C@@H](O)CN2CCOCC2)cc1)c1ccc(OC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC000064513041 562706320 /nfs/dbraw/zinc/70/63/20/562706320.db2.gz GEOBBRQUNBTYOO-UIOOFZCWSA-N 1 2 514.663 2.156 1 0 KEAFLO Cn1cnc(S(=O)(=O)N(CCN(Cc2c[nH+]cn2C)c2ccc(C(N)=O)cc2)Cc2ccccc2)c1 ZINC000064539567 562707567 /nfs/dbraw/zinc/70/75/67/562707567.db2.gz AFBKWAHCXYIFKZ-UHFFFAOYSA-N 1 2 507.620 2.150 1 0 KEAFLO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2 ZINC000066098905 562710998 /nfs/dbraw/zinc/71/09/98/562710998.db2.gz SXNSCKZCSYIOKW-HXUWFJFHSA-N 1 2 500.559 2.094 1 0 KEAFLO O=C(NCC[NH+]1CCOCC1)c1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2 ZINC000066098908 562710991 /nfs/dbraw/zinc/71/09/91/562710991.db2.gz SXNSCKZCSYIOKW-FQEVSTJZSA-N 1 2 500.559 2.094 1 0 KEAFLO C[NH+](C)CC(=O)OCCCCCCNC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21 ZINC000066260260 562715468 /nfs/dbraw/zinc/71/54/68/562715468.db2.gz YJOHXIRYFCMLBZ-WATLYSKOSA-N 1 2 541.759 2.170 1 0 KEAFLO CO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)c[nH+]1)C[C@@H]1[C@H](/C=C\2CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2OC(C)=O)[C@@H](C(C)C)C=C[C@@]1(C)O ZINC000067957783 562715636 /nfs/dbraw/zinc/71/56/36/562715636.db2.gz KGOMYXIKIJGWKS-DKNGGRFKSA-N 1 2 672.772 2.215 1 0 KEAFLO Cc1nc2ccccc2n1-c1nc2cc(C[NH+]3CCN(C(C)(C)C(N)=O)CC3)oc2c(N2CCOCC2)n1 ZINC000068247864 562716236 /nfs/dbraw/zinc/71/62/36/562716236.db2.gz JTXJODWPTYQWFN-UHFFFAOYSA-N 1 2 518.622 2.088 1 0 KEAFLO CN(C)c1cccc2c1cccc2S(=O)(=O)N1CC[NH+](CCCCN2C(=O)[C@@H]3CCCN3C2=O)CC1 ZINC000071294264 562716797 /nfs/dbraw/zinc/71/67/97/562716797.db2.gz GPIKDAUJGXRSFU-QHCPKHFHSA-N 1 2 513.664 2.419 1 0 KEAFLO CN(C)c1cccc2c1cccc2S(=O)(=O)N1CC[NH+](CCCCN2C(=O)[C@H]3CCCN3C2=O)CC1 ZINC000071294265 562716838 /nfs/dbraw/zinc/71/68/38/562716838.db2.gz GPIKDAUJGXRSFU-HSZRJFAPSA-N 1 2 513.664 2.419 1 0 KEAFLO CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4cc(C)[nH+]c(N5CC[NH+](C)CC5)n4)CC3)cc21 ZINC000071296448 562717545 /nfs/dbraw/zinc/71/75/45/562717545.db2.gz HPKHRJUFYLCXAJ-UHFFFAOYSA-N 1 2 509.586 2.036 1 0 KEAFLO CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(c4cc(C)[nH+]c(NCC[NH+]5CCOCC5)n4)CC3)c(F)c21 ZINC000071296561 562717569 /nfs/dbraw/zinc/71/75/69/562717569.db2.gz GQGYVCYPBXQIRB-UHFFFAOYSA-N 1 2 557.602 2.167 1 0 KEAFLO Cc1noc(C)c1S(=O)(=O)N(CCOC(C)C)C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1 ZINC000071315974 562717805 /nfs/dbraw/zinc/71/78/05/562717805.db2.gz WGEPMLUTQQQQSC-LVXARBLLSA-N 1 2 551.662 2.274 1 0 KEAFLO Cc1noc(C)c1S(=O)(=O)N(CCOC(C)C)C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1 ZINC000071315974 562717804 /nfs/dbraw/zinc/71/78/04/562717804.db2.gz WGEPMLUTQQQQSC-LVXARBLLSA-N 1 2 551.662 2.274 1 0 KEAFLO CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4cc(C)[nH+]c(N5CCOCC5)n4)CC3)c(F)c21 ZINC000071316026 562717810 /nfs/dbraw/zinc/71/78/10/562717810.db2.gz AWAIRTVCGFORCX-UHFFFAOYSA-N 1 2 514.533 2.259 1 0 KEAFLO CC(C)(C)OC(=O)N1CC[NH+](CCn2ncc3c4nn(Cc5cccc(Cl)c5)c(=O)n4c(N)nc32)CC1 ZINC000071317340 562718226 /nfs/dbraw/zinc/71/82/26/562718226.db2.gz YEHUETWOVOATHN-UHFFFAOYSA-N 1 2 528.017 2.077 1 0 KEAFLO CN(C)C(=O)C[C@@H](CNC(=O)c1cc2cc(Cl)ccc2[nH]1)NC(=O)c1nc2c(s1)C[N@@H+](C)CC2 ZINC000071317700 562718278 /nfs/dbraw/zinc/71/82/78/562718278.db2.gz UDLKCFIWPXJMNA-HNNXBMFYSA-N 1 2 503.028 2.272 1 0 KEAFLO CN(C)C(=O)C[C@@H](CNC(=O)c1cc2cc(Cl)ccc2[nH]1)NC(=O)c1nc2c(s1)C[N@H+](C)CC2 ZINC000071317700 562718277 /nfs/dbraw/zinc/71/82/77/562718277.db2.gz UDLKCFIWPXJMNA-HNNXBMFYSA-N 1 2 503.028 2.272 1 0 KEAFLO COc1cc(O)c2c(c1Br)C(=O)OCC(=O)NCC(=S)N[C@H](c1nc(C[NH2+]C(C)C)no1)CSC2 ZINC000071329846 562719047 /nfs/dbraw/zinc/71/90/47/562719047.db2.gz NKOKTJSYNIPFIT-LBPRGKRZSA-N 1 2 588.506 2.222 1 0 KEAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1F ZINC000071330046 562719061 /nfs/dbraw/zinc/71/90/61/562719061.db2.gz JHEJAPHOSMBKJY-FNZWTVRRSA-N 1 2 536.622 2.419 1 0 KEAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1F ZINC000071330046 562719060 /nfs/dbraw/zinc/71/90/60/562719060.db2.gz JHEJAPHOSMBKJY-FNZWTVRRSA-N 1 2 536.622 2.419 1 0 KEAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1OC ZINC000071330950 562719220 /nfs/dbraw/zinc/71/92/20/562719220.db2.gz UREDWEOAHWPLON-IDISGSTGSA-N 1 2 548.658 2.289 1 0 KEAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1OC ZINC000071330950 562719219 /nfs/dbraw/zinc/71/92/19/562719219.db2.gz UREDWEOAHWPLON-IDISGSTGSA-N 1 2 548.658 2.289 1 0 KEAFLO Cc1[nH+]c2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2csc(N)n2)s1 ZINC000071340335 562719716 /nfs/dbraw/zinc/71/97/16/562719716.db2.gz QPCJRMTVZKFMEM-YPAWHYETSA-N 1 2 540.671 2.195 1 0 KEAFLO CC[C@H](C)[C@H](NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)c(OCc2c[nH]c[nH+]2)c1)C(=O)[O-] ZINC000072116865 562723274 /nfs/dbraw/zinc/72/32/74/562723274.db2.gz YVKJDGDLLFYUJD-RSDPBLMXSA-N 1 2 509.563 2.432 1 0 KEAFLO COCCO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O ZINC000072142907 562729651 /nfs/dbraw/zinc/72/96/51/562729651.db2.gz BFSNADDVVFYGDC-SFTDATJTSA-N 1 2 538.634 2.302 1 0 KEAFLO COCCO[C@H]1C[N@H+](CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C[C@@H]1O ZINC000072142907 562729650 /nfs/dbraw/zinc/72/96/50/562729650.db2.gz BFSNADDVVFYGDC-SFTDATJTSA-N 1 2 538.634 2.302 1 0 KEAFLO Cc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c(C)c1 ZINC000073158940 562733925 /nfs/dbraw/zinc/73/39/25/562733925.db2.gz GSVCGMVXTSSLOM-MUUNZHRXSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1ccc(-n2cnn(CCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c(C)c1 ZINC000073158940 562733924 /nfs/dbraw/zinc/73/39/24/562733924.db2.gz GSVCGMVXTSSLOM-MUUNZHRXSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c(C)c1 ZINC000073158944 562733972 /nfs/dbraw/zinc/73/39/72/562733972.db2.gz GSVCGMVXTSSLOM-NDEPHWFRSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1ccc(-n2cnn(CCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c(C)c1 ZINC000073158944 562733971 /nfs/dbraw/zinc/73/39/71/562733971.db2.gz GSVCGMVXTSSLOM-NDEPHWFRSA-N 1 2 552.630 2.116 1 0 KEAFLO CCCOc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1-c1nc(CC)c(I)c(=O)[nH]1 ZINC000073160207 562734040 /nfs/dbraw/zinc/73/40/40/562734040.db2.gz CLYYLXSJJMHCHN-UHFFFAOYSA-N 1 2 546.431 2.329 1 0 in-vitro KEAFLO Cc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1C ZINC000073160345 562734056 /nfs/dbraw/zinc/73/40/56/562734056.db2.gz MUNSJSKUCNOPAB-MUUNZHRXSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1ccc(-n2cnn(CCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1C ZINC000073160345 562734055 /nfs/dbraw/zinc/73/40/55/562734055.db2.gz MUNSJSKUCNOPAB-MUUNZHRXSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1C ZINC000073160348 562734048 /nfs/dbraw/zinc/73/40/48/562734048.db2.gz MUNSJSKUCNOPAB-NDEPHWFRSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1ccc(-n2cnn(CCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1C ZINC000073160348 562734047 /nfs/dbraw/zinc/73/40/47/562734047.db2.gz MUNSJSKUCNOPAB-NDEPHWFRSA-N 1 2 552.630 2.116 1 0 KEAFLO C[C@@H]1C[NH2+][C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2O1 ZINC000073160951 562734078 /nfs/dbraw/zinc/73/40/78/562734078.db2.gz ZNYRUNOEPRPORZ-SUNQPCDNSA-N 1 2 520.674 2.459 1 0 KEAFLO C[C@@H]1C(=O)N[C@H](Cc2ccccc2F)C(=O)NCCCc2ccccc2OCC[NH2+][C@@H](C2CC2)C(=O)N1C ZINC000073160954 562734083 /nfs/dbraw/zinc/73/40/83/562734083.db2.gz RGRCEZBNFKRETF-OXTYCOSGSA-N 1 2 524.637 2.210 1 0 KEAFLO C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCC[NH2+][C@@H](C2CC2)C(=O)N1C ZINC000073161751 562734157 /nfs/dbraw/zinc/73/41/57/562734157.db2.gz RUNJTEIQKHMZSW-ZOSUSCCZSA-N 1 2 506.647 2.070 1 0 KEAFLO CCC[C@@H]1[NH2+]CCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O ZINC000073161754 562734133 /nfs/dbraw/zinc/73/41/33/562734133.db2.gz HVNSCQHWQRWMCW-IEZKXTBUSA-N 1 2 508.663 2.461 1 0 KEAFLO CCC[C@@H]1[NH2+]CCOc2ccccc2CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)N(C)C1=O ZINC000073161759 562734147 /nfs/dbraw/zinc/73/41/47/562734147.db2.gz HVNSCQHWQRWMCW-GVXSCFBNSA-N 1 2 508.663 2.461 1 0 KEAFLO Cc1cc(C)cc(-n2cnn(CCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073164276 562734260 /nfs/dbraw/zinc/73/42/60/562734260.db2.gz HNRUFVQGNPGUOA-MUUNZHRXSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1cc(C)cc(-n2cnn(CCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073164276 562734259 /nfs/dbraw/zinc/73/42/59/562734259.db2.gz HNRUFVQGNPGUOA-MUUNZHRXSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1cc(C)cc(-n2cnn(CCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073164280 562734287 /nfs/dbraw/zinc/73/42/87/562734287.db2.gz HNRUFVQGNPGUOA-NDEPHWFRSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1cc(C)cc(-n2cnn(CCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073164280 562734286 /nfs/dbraw/zinc/73/42/86/562734286.db2.gz HNRUFVQGNPGUOA-NDEPHWFRSA-N 1 2 552.630 2.116 1 0 KEAFLO O=c1n(-c2cccc(Cl)c2)cnn1CCC[NH+]1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073164283 562734354 /nfs/dbraw/zinc/73/43/54/562734354.db2.gz KVNYZRWJQMOLCR-AREMUKBSSA-N 1 2 559.021 2.153 1 0 KEAFLO O=c1n(-c2cccc(Cl)c2)cnn1CCCN1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073164283 562734353 /nfs/dbraw/zinc/73/43/53/562734353.db2.gz KVNYZRWJQMOLCR-AREMUKBSSA-N 1 2 559.021 2.153 1 0 KEAFLO O=c1n(-c2cccc(Cl)c2)cnn1CCC[NH+]1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073164285 562734349 /nfs/dbraw/zinc/73/43/49/562734349.db2.gz KVNYZRWJQMOLCR-SANMLTNESA-N 1 2 559.021 2.153 1 0 KEAFLO O=c1n(-c2cccc(Cl)c2)cnn1CCCN1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073164285 562734348 /nfs/dbraw/zinc/73/43/48/562734348.db2.gz KVNYZRWJQMOLCR-SANMLTNESA-N 1 2 559.021 2.153 1 0 KEAFLO Cc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1Cl ZINC000073164453 562734303 /nfs/dbraw/zinc/73/43/03/562734303.db2.gz YHHZGQRJTRPNMN-HHHXNRCGSA-N 1 2 573.048 2.461 1 0 KEAFLO Cc1ccc(-n2cnn(CCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1Cl ZINC000073164453 562734302 /nfs/dbraw/zinc/73/43/02/562734302.db2.gz YHHZGQRJTRPNMN-HHHXNRCGSA-N 1 2 573.048 2.461 1 0 KEAFLO Cc1ccc(-n2cnn(CCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1Cl ZINC000073164457 562734329 /nfs/dbraw/zinc/73/43/29/562734329.db2.gz YHHZGQRJTRPNMN-MHZLTWQESA-N 1 2 573.048 2.461 1 0 KEAFLO Cc1ccc(-n2cnn(CCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)cc1Cl ZINC000073164457 562734328 /nfs/dbraw/zinc/73/43/28/562734328.db2.gz YHHZGQRJTRPNMN-MHZLTWQESA-N 1 2 573.048 2.461 1 0 KEAFLO O=c1n(-c2ccc(F)c(Cl)c2)cnn1CCC[NH+]1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073164690 562734323 /nfs/dbraw/zinc/73/43/23/562734323.db2.gz YQHGSMBKZFESQG-AREMUKBSSA-N 1 2 577.011 2.292 1 0 KEAFLO O=c1n(-c2ccc(F)c(Cl)c2)cnn1CCCN1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073164690 562734322 /nfs/dbraw/zinc/73/43/22/562734322.db2.gz YQHGSMBKZFESQG-AREMUKBSSA-N 1 2 577.011 2.292 1 0 KEAFLO O=c1n(-c2ccc(F)c(Cl)c2)cnn1CCC[NH+]1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073164693 562734365 /nfs/dbraw/zinc/73/43/65/562734365.db2.gz YQHGSMBKZFESQG-SANMLTNESA-N 1 2 577.011 2.292 1 0 KEAFLO O=c1n(-c2ccc(F)c(Cl)c2)cnn1CCCN1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073164693 562734364 /nfs/dbraw/zinc/73/43/64/562734364.db2.gz YQHGSMBKZFESQG-SANMLTNESA-N 1 2 577.011 2.292 1 0 KEAFLO Cc1ccc(C)c(-n2cnn(CCC[NH+]3CCN(C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073164696 562734314 /nfs/dbraw/zinc/73/43/14/562734314.db2.gz XZJORZASWPXGFI-MUUNZHRXSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1ccc(C)c(-n2cnn(CCCN3CC[NH+](C[C@@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073164696 562734313 /nfs/dbraw/zinc/73/43/13/562734313.db2.gz XZJORZASWPXGFI-MUUNZHRXSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1ccc(C)c(-n2cnn(CCC[NH+]3CCN(C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073164699 562734300 /nfs/dbraw/zinc/73/43/00/562734300.db2.gz XZJORZASWPXGFI-NDEPHWFRSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1ccc(C)c(-n2cnn(CCCN3CC[NH+](C[C@](O)(Cn4cncn4)c4ccc(F)cc4F)CC3)c2=O)c1 ZINC000073164699 562734299 /nfs/dbraw/zinc/73/42/99/562734299.db2.gz XZJORZASWPXGFI-NDEPHWFRSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1cccc(C)c1-n1cnn(CCC[NH+]2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1=O ZINC000073164701 562734344 /nfs/dbraw/zinc/73/43/44/562734344.db2.gz HHGMQAFMOIZGQX-MUUNZHRXSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1cccc(C)c1-n1cnn(CCCN2CC[NH+](C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1=O ZINC000073164701 562734343 /nfs/dbraw/zinc/73/43/43/562734343.db2.gz HHGMQAFMOIZGQX-MUUNZHRXSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1cccc(C)c1-n1cnn(CCC[NH+]2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1=O ZINC000073164705 562734326 /nfs/dbraw/zinc/73/43/26/562734326.db2.gz HHGMQAFMOIZGQX-NDEPHWFRSA-N 1 2 552.630 2.116 1 0 KEAFLO Cc1cccc(C)c1-n1cnn(CCCN2CC[NH+](C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1=O ZINC000073164705 562734325 /nfs/dbraw/zinc/73/43/25/562734325.db2.gz HHGMQAFMOIZGQX-NDEPHWFRSA-N 1 2 552.630 2.116 1 0 KEAFLO O=c1n(-c2ccc(Cl)cc2)cnn1CCC[NH+]1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073167499 562734571 /nfs/dbraw/zinc/73/45/71/562734571.db2.gz AJCORYPXXYXRKE-AREMUKBSSA-N 1 2 559.021 2.153 1 0 KEAFLO O=c1n(-c2ccc(Cl)cc2)cnn1CCCN1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073167499 562734570 /nfs/dbraw/zinc/73/45/70/562734570.db2.gz AJCORYPXXYXRKE-AREMUKBSSA-N 1 2 559.021 2.153 1 0 KEAFLO O=c1n(-c2ccc(Cl)cc2)cnn1CCC[NH+]1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073167502 562734601 /nfs/dbraw/zinc/73/46/01/562734601.db2.gz AJCORYPXXYXRKE-SANMLTNESA-N 1 2 559.021 2.153 1 0 KEAFLO O=c1n(-c2ccc(Cl)cc2)cnn1CCCN1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073167502 562734600 /nfs/dbraw/zinc/73/46/00/562734600.db2.gz AJCORYPXXYXRKE-SANMLTNESA-N 1 2 559.021 2.153 1 0 KEAFLO O=c1n(-c2ccc(Br)cc2)cnn1CCC[NH+]1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073168709 562734714 /nfs/dbraw/zinc/73/47/14/562734714.db2.gz MBBQLRHDYYQTPQ-AREMUKBSSA-N 1 2 603.472 2.262 1 0 KEAFLO O=c1n(-c2ccc(Br)cc2)cnn1CCCN1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073168709 562734713 /nfs/dbraw/zinc/73/47/13/562734713.db2.gz MBBQLRHDYYQTPQ-AREMUKBSSA-N 1 2 603.472 2.262 1 0 KEAFLO O=c1n(-c2ccc(Br)cc2)cnn1CCC[NH+]1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073168712 562734728 /nfs/dbraw/zinc/73/47/28/562734728.db2.gz MBBQLRHDYYQTPQ-SANMLTNESA-N 1 2 603.472 2.262 1 0 KEAFLO O=c1n(-c2ccc(Br)cc2)cnn1CCCN1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000073168712 562734727 /nfs/dbraw/zinc/73/47/27/562734727.db2.gz MBBQLRHDYYQTPQ-SANMLTNESA-N 1 2 603.472 2.262 1 0 KEAFLO C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2OCC[NH2+][C@@H](C2CC2)C(=O)N1C ZINC000073170175 562734921 /nfs/dbraw/zinc/73/49/21/562734921.db2.gz XBPLNMSLGBYKCW-UFKXBGGNSA-N 1 2 542.627 2.349 1 0 KEAFLO C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(F)ccc2OCC[NH2+][C@@H](C2CC2)C(=O)N1C ZINC000073170178 562734902 /nfs/dbraw/zinc/73/49/02/562734902.db2.gz IJYGTBLRLXLFBP-UFKXBGGNSA-N 1 2 542.627 2.349 1 0 KEAFLO CC[C@H](C)[C@@H]1[NH2+]CCOc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O ZINC000073195864 562734989 /nfs/dbraw/zinc/73/49/89/562734989.db2.gz DQJXOEHBWVVKTL-MIUUGJTFSA-N 1 2 508.663 2.316 1 0 KEAFLO C[C@@H]1C(=O)N[C@H](Cc2cccc(F)c2)C(=O)NCCCc2ccccc2OCC[NH2+][C@@H](C2CC2)C(=O)N1C ZINC000073196217 562735101 /nfs/dbraw/zinc/73/51/01/562735101.db2.gz ADIOQAYPSGHDFT-OXTYCOSGSA-N 1 2 524.637 2.210 1 0 KEAFLO C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCC[NH2+][C@@H](C2CC2)C(=O)N1C ZINC000073196218 562735103 /nfs/dbraw/zinc/73/51/03/562735103.db2.gz QPKPRCCPPDTWIJ-OXTYCOSGSA-N 1 2 524.637 2.210 1 0 KEAFLO Cc1ccc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)[NH2+]CCOc3ccccc3CCCNC2=O)cc1 ZINC000073196220 562735071 /nfs/dbraw/zinc/73/50/71/562735071.db2.gz ZPEDBCLQAZTDDB-RMXYQJDTSA-N 1 2 520.674 2.379 1 0 KEAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(C)CCc2ccccc2)cn1 ZINC000073197352 562735334 /nfs/dbraw/zinc/73/53/34/562735334.db2.gz HEUCNJGHIUUNHC-RUZDIDTESA-N 1 2 533.629 2.477 1 0 KEAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)N(C)Cc2ccccc2)cn1 ZINC000073197969 562735556 /nfs/dbraw/zinc/73/55/56/562735556.db2.gz ZUPZTTLYTIESKP-XMMPIXPASA-N 1 2 519.602 2.434 1 0 KEAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3OCCOC)[nH]c(=O)c2nn1C(C)C ZINC000073200508 562736099 /nfs/dbraw/zinc/73/60/99/562736099.db2.gz QBJRBZBJWBDJGM-UHFFFAOYSA-N 1 2 533.655 2.089 1 0 KEAFLO CO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)c[nH+]1)C[C@@H]1[C@H](/C=C\2CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2OC(C)=O)[C@@H](C(C)C)C[C@H]2O[C@]21C ZINC000082138005 562739113 /nfs/dbraw/zinc/73/91/13/562739113.db2.gz GPAVMFZDZJRDTD-UNBOENSBSA-N 1 2 672.772 2.455 1 0 KEAFLO CO[C@]12C=C[C@](C)(O1)[C@@H](OC(=O)/C=C/c1cn(C)c[nH+]1)C[C@@H]1[C@H](/C=C\2CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2OC(C)=O)[C@@H](C(C)C)C[C@@H]2O[C@@]21C ZINC000082138013 562739095 /nfs/dbraw/zinc/73/90/95/562739095.db2.gz GPAVMFZDZJRDTD-IXFNPDFKSA-N 1 2 672.772 2.455 1 0 KEAFLO O=c1n(-c2ccc(I)cc2)cnn1CCC[NH+]1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000082138030 562739127 /nfs/dbraw/zinc/73/91/27/562739127.db2.gz WYZIKDNWLWXUDY-AREMUKBSSA-N 1 2 650.472 2.104 1 0 KEAFLO O=c1n(-c2ccc(I)cc2)cnn1CCCN1CC[NH+](C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000082138030 562739126 /nfs/dbraw/zinc/73/91/26/562739126.db2.gz WYZIKDNWLWXUDY-AREMUKBSSA-N 1 2 650.472 2.104 1 0 KEAFLO O=c1n(-c2ccc(I)cc2)cnn1CCC[NH+]1CCN(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000082138031 562739133 /nfs/dbraw/zinc/73/91/33/562739133.db2.gz WYZIKDNWLWXUDY-SANMLTNESA-N 1 2 650.472 2.104 1 0 KEAFLO O=c1n(-c2ccc(I)cc2)cnn1CCCN1CC[NH+](C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 ZINC000082138031 562739132 /nfs/dbraw/zinc/73/91/32/562739132.db2.gz WYZIKDNWLWXUDY-SANMLTNESA-N 1 2 650.472 2.104 1 0 KEAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3OCc3ccccn3)[nH]c(=O)c2nn1CCOC ZINC000082149165 562739662 /nfs/dbraw/zinc/73/96/62/562739662.db2.gz PSPQMORJBNHUIA-UHFFFAOYSA-N 1 2 582.687 2.103 1 0 KEAFLO CCCCOc1ncc(S(=O)(=O)N2CC[NH+](CC)CC2)cc1-c1nc2c(CC)n(C3CCN(S(C)(=O)=O)CC3)nc2c(=O)[nH]1 ZINC000082149204 562739627 /nfs/dbraw/zinc/73/96/27/562739627.db2.gz XHEWFWLSKNTLNI-UHFFFAOYSA-N 1 2 650.828 2.258 1 0 KEAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3OCC(C)C)[nH]c(=O)c2nn1CCOC ZINC000082149980 562739783 /nfs/dbraw/zinc/73/97/83/562739783.db2.gz OVICJVOCLHPFFM-UHFFFAOYSA-N 1 2 547.682 2.164 1 0 KEAFLO O=C(NCCOCCOCCOCC[NH+]1CCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)NC(=O)NC2=O)CC1)c1ccc(F)cc1 ZINC000082152860 562740119 /nfs/dbraw/zinc/74/01/19/562740119.db2.gz BCOFTFDFNHXYGF-UHFFFAOYSA-N 1 2 677.730 2.277 1 0 KEAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3OCCOC)[nH]c(=O)c2nn1C1CCC1 ZINC000082154473 562740358 /nfs/dbraw/zinc/74/03/58/562740358.db2.gz XKRXMWPVDJKAJI-UHFFFAOYSA-N 1 2 545.666 2.233 1 0 KEAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3OCCOC)[nH]c(=O)c2nn1CC(C)C ZINC000082154477 562740316 /nfs/dbraw/zinc/74/03/16/562740316.db2.gz NLNFVNNWOWUWAC-UHFFFAOYSA-N 1 2 547.682 2.164 1 0 KEAFLO COc1ccccc1COCCCOc1ncc(N2C(=O)C[NH2+]C[C@@H]2C(=O)NCc2ccccc2)cn1 ZINC000082155371 562740529 /nfs/dbraw/zinc/74/05/29/562740529.db2.gz LCEDHRKYGZZXDN-HSZRJFAPSA-N 1 2 505.575 2.092 1 0 KEAFLO CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000082164848 562741288 /nfs/dbraw/zinc/74/12/88/562741288.db2.gz ALQJHGNZBSIMRJ-FIXSFTCYSA-N 1 2 722.657 2.168 1 0 KEAFLO CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)CC1CCCCC1 ZINC000082190147 562742527 /nfs/dbraw/zinc/74/25/27/562742527.db2.gz UYWFRJOSBKJKJP-FIXSFTCYSA-N 1 2 649.809 2.133 1 0 KEAFLO CC(C)C[C@@H]1C(=O)N[C@H](C2Cc3ccccc3C2)C(=O)N1[C@@H](C(=O)N1CCOCC1)c1ccc(N(C)C)[nH+]c1 ZINC000084713596 562750918 /nfs/dbraw/zinc/75/09/18/562750918.db2.gz GLLFLXUHXBXONQ-ZRJLEYOISA-N 1 2 533.673 2.204 1 0 KEAFLO COc1c(C(=O)NCC[NH+]2CCOCC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21 ZINC000084731760 562751743 /nfs/dbraw/zinc/75/17/43/562751743.db2.gz MGXSPDZHQQULBW-UHFFFAOYSA-N 1 2 502.571 2.447 1 0 KEAFLO C/C=C(/C)C(=O)O[C@@H]1Cc2c(O)c3c(=O)cc(CO)oc3cc2O[C@@]1(C)[C@H](CO)Cc1ccc(N)[nH+]c1 ZINC000085595274 560064060 /nfs/dbraw/zinc/06/40/60/560064060.db2.gz VPVZQYXYTVOOSR-MRCLHDKGSA-N 1 2 510.543 2.391 1 0 biogenic,in-vitro KEAFLO C/C=C(/C)C(=O)O[C@@H]1Cc2c(cc3oc(CO)cc(O)c-3c2=O)O[C@@]1(C)[C@H](CO)Cc1ccc(N)[nH+]c1 ZINC000085595274 560064058 /nfs/dbraw/zinc/06/40/58/560064058.db2.gz VPVZQYXYTVOOSR-MRCLHDKGSA-N 1 2 510.543 2.391 1 0 biogenic,in-vitro KEAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cc[n+]([O-])cc1 ZINC000095536564 562753956 /nfs/dbraw/zinc/75/39/56/562753956.db2.gz ZJYMBDYMFYOXJD-OWIQAHIBSA-N 1 2 778.952 2.336 1 0 KEAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cc[n+]([O-])cc1 ZINC000095536564 562753955 /nfs/dbraw/zinc/75/39/55/562753955.db2.gz ZJYMBDYMFYOXJD-OWIQAHIBSA-N 1 2 778.952 2.336 1 0 KEAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cc[n+]([O-])cc1 ZINC000095536565 562753973 /nfs/dbraw/zinc/75/39/73/562753973.db2.gz ZJYMBDYMFYOXJD-ZJKZPDEISA-N 1 2 778.952 2.336 1 0 KEAFLO CC(C)C[C@@H](NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)[C@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1cc[n+]([O-])cc1 ZINC000095536565 562753972 /nfs/dbraw/zinc/75/39/72/562753972.db2.gz ZJYMBDYMFYOXJD-ZJKZPDEISA-N 1 2 778.952 2.336 1 0 KEAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cc[n+]([O-])cc1 ZINC000095536566 562753960 /nfs/dbraw/zinc/75/39/60/562753960.db2.gz ZJYMBDYMFYOXJD-LJADHVKFSA-N 1 2 778.952 2.336 1 0 KEAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cc[n+]([O-])cc1 ZINC000095536566 562753959 /nfs/dbraw/zinc/75/39/59/562753959.db2.gz ZJYMBDYMFYOXJD-LJADHVKFSA-N 1 2 778.952 2.336 1 0 KEAFLO CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cc[n+]([O-])cc1 ZINC000095536567 562753977 /nfs/dbraw/zinc/75/39/77/562753977.db2.gz ZJYMBDYMFYOXJD-PJRHAEEISA-N 1 2 778.952 2.336 1 0 KEAFLO CC(C)C[C@H](NC(=O)C[C@@H](O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1cc[n+]([O-])cc1 ZINC000095536567 562753976 /nfs/dbraw/zinc/75/39/76/562753976.db2.gz ZJYMBDYMFYOXJD-PJRHAEEISA-N 1 2 778.952 2.336 1 0 KEAFLO CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1cc(O)ccc1O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cccc(-c2n[nH]c(=S)n2C)c1 ZINC000095538503 562754884 /nfs/dbraw/zinc/75/48/84/562754884.db2.gz ZAQOXRZCFDXTCQ-ZZEHLIAYSA-N 1 2 817.970 2.012 1 0 KEAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H](CC(=O)N2C[C@@H](OCOC)[C@@H](OCOC)C2)Cc2ccccc2)OC1=O ZINC000095542057 562756484 /nfs/dbraw/zinc/75/64/84/562756484.db2.gz XDZOMKZUBUHOHZ-MSXNJZMTSA-N 1 2 770.925 2.163 1 0 KEAFLO CCN1C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H](CC(=O)N2C[C@@H](OCOC)[C@@H](OCOC)C2)Cc2ccccc2)OC1=O ZINC000095542057 562756483 /nfs/dbraw/zinc/75/64/83/562756483.db2.gz XDZOMKZUBUHOHZ-MSXNJZMTSA-N 1 2 770.925 2.163 1 0 KEAFLO Cc1nnc(C[C@H](C[C@H](O)CN2CC[N@H+](C(C)(C)c3ncc(-c4ccc(Cl)cc4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2CCOC[C@H]2O)o1 ZINC000095542530 562756775 /nfs/dbraw/zinc/75/67/75/562756775.db2.gz TWROPYIZUCIRRX-YZUYXXDVSA-N 1 2 742.196 2.462 1 0 KEAFLO Cc1nnc(C[C@H](C[C@H](O)CN2CC[N@@H+](C(C)(C)c3ncc(-c4ccc(Cl)cc4)o3)C[C@H]2C(=O)NCC(F)(F)F)C(=O)N[C@H]2CCOC[C@H]2O)o1 ZINC000095542530 562756774 /nfs/dbraw/zinc/75/67/74/562756774.db2.gz TWROPYIZUCIRRX-YZUYXXDVSA-N 1 2 742.196 2.462 1 0 KEAFLO CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c[nH+]2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095548200 562759160 /nfs/dbraw/zinc/75/91/60/562759160.db2.gz DYASWPQNHOGBMN-KOMPESINSA-N 1 2 769.948 2.286 1 0 KEAFLO CC[C@@H](C)[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH+]c[nH]2)N(C)C(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095548200 562759159 /nfs/dbraw/zinc/75/91/59/562759159.db2.gz DYASWPQNHOGBMN-KOMPESINSA-N 1 2 769.948 2.286 1 0 KEAFLO O=C(OCc1cn(CCOCCOCCOCC[NH+]2CCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)NC(=O)NC3=O)CC2)nn1)c1ccc(F)cc1 ZINC000095548804 562759494 /nfs/dbraw/zinc/75/94/94/562759494.db2.gz SVUOUTRIPGSFHF-UHFFFAOYSA-N 1 2 759.792 2.495 1 0 KEAFLO CC(C)(C(N)=O)N1CC[NH+](Cc2cc3nc(-c4cccc5n[nH]cc54)nc(N4CCOCC4)c3s2)CC1 ZINC000095552117 562760599 /nfs/dbraw/zinc/76/05/99/562760599.db2.gz WNXNOFZKYRTQSA-UHFFFAOYSA-N 1 2 520.663 2.453 1 0 KEAFLO COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(O[C@H]4C[N@@H+](C)C[C@@H](CO)O4)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000095552677 562760753 /nfs/dbraw/zinc/76/07/53/562760753.db2.gz CQOOLIUECQEFKP-CVGIZIDSSA-N 1 2 607.656 2.155 1 0 KEAFLO COC(=O)[C@H]1[C@@H](O)[C@@]2(O)c3c(cc(O[C@H]4C[N@H+](C)C[C@@H](CO)O4)cc3OC)O[C@@]2(c2ccc(OC)cc2)[C@@H]1c1ccccc1 ZINC000095552677 562760752 /nfs/dbraw/zinc/76/07/52/562760752.db2.gz CQOOLIUECQEFKP-CVGIZIDSSA-N 1 2 607.656 2.155 1 0 KEAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@H+]4CC[C@@H](C(=O)NCCN5CCOCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095552840 562760802 /nfs/dbraw/zinc/76/08/02/562760802.db2.gz UVNLAMSMBMXIJB-OAQYLSRUSA-N 1 2 604.741 2.364 1 0 KEAFLO Cc1cc(Nc2nc(Sc3ccc(NC(=O)C[N@@H+]4CC[C@@H](C(=O)NCCN5CCOCC5)C4)cc3)nn3cccc23)n[nH]1 ZINC000095552840 562760801 /nfs/dbraw/zinc/76/08/01/562760801.db2.gz UVNLAMSMBMXIJB-OAQYLSRUSA-N 1 2 604.741 2.364 1 0 KEAFLO COc1ncc(Nc2ncc([C@H](C)[N@H+]3CCN(S(C)(=O)=O)C[C@H]3C)cc2-c2nc(C)nc(N)n2)cc1F ZINC000095554940 562761439 /nfs/dbraw/zinc/76/14/39/562761439.db2.gz SYUHGFRIKWMPPV-KGLIPLIRSA-N 1 2 531.618 2.137 1 0 KEAFLO COc1ncc(Nc2ncc([C@H](C)[N@@H+]3CCN(S(C)(=O)=O)C[C@H]3C)cc2-c2nc(C)nc(N)n2)cc1F ZINC000095554940 562761438 /nfs/dbraw/zinc/76/14/38/562761438.db2.gz SYUHGFRIKWMPPV-KGLIPLIRSA-N 1 2 531.618 2.137 1 0 KEAFLO COc1ncc(Nc2ncc([C@@H](C)[N@H+]3CCN(S(C)(=O)=O)C[C@H]3C)cc2-c2nc(C)nc(N)n2)cc1F ZINC000095555879 562761684 /nfs/dbraw/zinc/76/16/84/562761684.db2.gz SYUHGFRIKWMPPV-ZIAGYGMSSA-N 1 2 531.618 2.137 1 0 KEAFLO COc1ncc(Nc2ncc([C@@H](C)[N@@H+]3CCN(S(C)(=O)=O)C[C@H]3C)cc2-c2nc(C)nc(N)n2)cc1F ZINC000095555879 562761683 /nfs/dbraw/zinc/76/16/83/562761683.db2.gz SYUHGFRIKWMPPV-ZIAGYGMSSA-N 1 2 531.618 2.137 1 0 KEAFLO COc1ncc(Nc2ncc([C@@H](C)[N@H+]3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc(N)n2)cc1F ZINC000095555892 562761677 /nfs/dbraw/zinc/76/16/77/562761677.db2.gz SYUHGFRIKWMPPV-UONOGXRCSA-N 1 2 531.618 2.137 1 0 KEAFLO COc1ncc(Nc2ncc([C@@H](C)[N@@H+]3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2nc(C)nc(N)n2)cc1F ZINC000095555892 562761676 /nfs/dbraw/zinc/76/16/76/562761676.db2.gz SYUHGFRIKWMPPV-UONOGXRCSA-N 1 2 531.618 2.137 1 0 KEAFLO CC[C@H](C)[C@@H](NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)NC1CCCCCC1 ZINC000095558976 562762581 /nfs/dbraw/zinc/76/25/81/562762581.db2.gz MXFNWBOYWYHGDL-FVDXQBIXSA-N 1 2 752.958 2.257 1 0 KEAFLO CC[C@H](C)[C@@H](NC(=O)[C@@H](CCC(=O)[O-])NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([NH3+])Cc1ccccc1)C(=O)NC1CCCCCC1 ZINC000095558976 562762580 /nfs/dbraw/zinc/76/25/80/562762580.db2.gz MXFNWBOYWYHGDL-FVDXQBIXSA-N 1 2 752.958 2.257 1 0 KEAFLO Cc1cn([C@H]2C[C@H](n3cc(C[NH2+]CC(=O)N(Cc4ccccc4)Cc4cc5cc(Cl)ccc5oc4=O)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000095602080 562779881 /nfs/dbraw/zinc/77/98/81/562779881.db2.gz ASQJSJPJQAVXDF-BOSLPAGOSA-N 1 2 662.103 2.036 1 0 KEAFLO CC(=O)N1CC[NH+](CCOc2ccc(C3(O)CCN(c4ccc5nnc(C(F)(F)F)n5n4)CC3)cc2)CC1 ZINC000095603553 562780572 /nfs/dbraw/zinc/78/05/72/562780572.db2.gz LQCQUWQQYUOHAJ-UHFFFAOYSA-N 1 2 533.555 2.174 1 0 KEAFLO Cc1cn([C@H]2C[C@H](n3cc(C[NH2+]CC(=O)N(Cc4ccccc4)Cc4cc5cc(Br)ccc5oc4=O)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC000095604202 562780895 /nfs/dbraw/zinc/78/08/95/562780895.db2.gz VPDUBWDFZONVMY-BOSLPAGOSA-N 1 2 706.554 2.145 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1CN(C(=O)Oc2ccccc2)CCN1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000095607398 562782793 /nfs/dbraw/zinc/78/27/93/562782793.db2.gz HMACMNCGIOXMMG-AIDXMCRVSA-N 1 2 802.011 2.417 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1CN(C(=O)Oc2ccccc2)CCN1C[C@@H](O)CNC(=O)[C@@H]1[NH2+][C@@H]([C@@H](NC(=O)Cc2ccccc2)C(=O)NCc2ccccc2)SC1(C)C ZINC000095607399 562782784 /nfs/dbraw/zinc/78/27/84/562782784.db2.gz HMACMNCGIOXMMG-VAGOGPILSA-N 1 2 802.011 2.417 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc2cccnc21)NS(C)(=O)=O ZINC000095607882 562783216 /nfs/dbraw/zinc/78/32/16/562783216.db2.gz QDNTXUZUWFKCPF-HAYFFOTOSA-N 1 2 745.990 2.125 1 0 KEAFLO CC(C)(C)NC(=O)[C@@H]1C[C@@H]2SCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CS(=O)(=O)c1cccc2cccnc21)NS(C)(=O)=O ZINC000095607882 562783215 /nfs/dbraw/zinc/78/32/15/562783215.db2.gz QDNTXUZUWFKCPF-HAYFFOTOSA-N 1 2 745.990 2.125 1 0 KEAFLO CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCN1C(=O)CS(=O)(=O)c2ccncc21)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)NCCCn1cc[nH+]c1 ZINC000095608722 562783680 /nfs/dbraw/zinc/78/36/80/562783680.db2.gz JAXWKXQCOJCWAH-RRNXAADDSA-N 1 2 835.041 2.460 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc(NC(=O)c4nsc(NCCN5CCOCC5)c4Cl)cn3C)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000095610387 562784382 /nfs/dbraw/zinc/78/43/82/562784382.db2.gz HOLBFSKUEQUBCA-UHFFFAOYSA-N 1 2 770.317 2.375 1 0 KEAFLO CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)[C@H](O)[C@H]([NH3+])c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C ZINC000095611285 562784955 /nfs/dbraw/zinc/78/49/55/562784955.db2.gz DLACRDONFBNRSP-DTPYUKTHSA-N 1 2 749.810 2.264 1 0 KEAFLO CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)[C@H](O)[C@H]([NH3+])c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C ZINC000095611286 562784963 /nfs/dbraw/zinc/78/49/63/562784963.db2.gz DLACRDONFBNRSP-HQOLVWAGSA-N 1 2 749.810 2.264 1 0 KEAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)[C@H]2CCCCN2C1=O ZINC000095611376 562784984 /nfs/dbraw/zinc/78/49/84/562784984.db2.gz BIHVYLXXSXHZID-ALQBPHJJSA-N 1 2 766.944 2.151 1 0 KEAFLO CC[C@H](C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)[C@H]2CCCCN2C1=O ZINC000095611376 562784983 /nfs/dbraw/zinc/78/49/83/562784983.db2.gz BIHVYLXXSXHZID-ALQBPHJJSA-N 1 2 766.944 2.151 1 0 KEAFLO CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)[C@@H](O)[C@H]([NH3+])c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C ZINC000095612521 562785583 /nfs/dbraw/zinc/78/55/83/562785583.db2.gz DLACRDONFBNRSP-QYNRPKQOSA-N 1 2 749.810 2.264 1 0 KEAFLO CC(=O)O[C@@H]1C2=C(C)[C@@H](OC(=O)[C@@H](O)[C@@H]([NH3+])c3ccccc3)C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(OC(C)=O)CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)C2(C)C ZINC000095612522 562785575 /nfs/dbraw/zinc/78/55/75/562785575.db2.gz DLACRDONFBNRSP-PMYJTZCOSA-N 1 2 749.810 2.264 1 0 KEAFLO CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c[nH+]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095613282 562786226 /nfs/dbraw/zinc/78/62/26/562786226.db2.gz FWBXLUTVLNUHQO-QYVXQROWSA-N 1 2 755.921 2.088 1 0 KEAFLO CCCC[C@@H]1NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH+]c[nH]2)NC(=O)[C@@H]2CCCCN2C(=O)[C@H]2CCCCN2C1=O ZINC000095613282 562786225 /nfs/dbraw/zinc/78/62/25/562786225.db2.gz FWBXLUTVLNUHQO-QYVXQROWSA-N 1 2 755.921 2.088 1 0 KEAFLO CN1CC[NH2+][C@@H](C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N2CCC(CC3CC3)(C(=O)NC(C)(C)C)CC2)C1 ZINC000095613302 562786229 /nfs/dbraw/zinc/78/62/29/562786229.db2.gz HEJQNESOIJVHRX-BJKOFHAPSA-N 1 2 529.701 2.080 1 0 KEAFLO COc1cc(C(=O)OCCN2CC[NH+](CCOC(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000095755685 562788955 /nfs/dbraw/zinc/78/89/55/562788955.db2.gz CERXKOFDWRFKLC-UHFFFAOYSA-N 1 2 562.616 2.370 1 0 KEAFLO CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cccc(N5CC[NH+](CC(N)=O)CC5)c4)nc23)cc1 ZINC000096169705 562790780 /nfs/dbraw/zinc/79/07/80/562790780.db2.gz WCLOWWVLZUYBIT-UHFFFAOYSA-N 1 2 505.604 2.151 1 0 KEAFLO CN(c1ccccc1CNc1cccn2nc(Nc3cncc(N4CC[NH+](C)CC4)n3)nc12)S(C)(=O)=O ZINC000096169889 562790967 /nfs/dbraw/zinc/79/09/67/562790967.db2.gz JXFRAOQGCSZNRQ-UHFFFAOYSA-N 1 2 522.639 2.023 1 0 KEAFLO CCc1c2nc(-c3cc(S(=O)(=O)N4CC[NH+](CC)CC4)cnc3O[C@H](C)COC)[nH]c(=O)c2nn1Cc1ccccn1 ZINC000096319472 562796593 /nfs/dbraw/zinc/79/65/93/562796593.db2.gz AXJKWRLSLUKVML-LJQANCHMSA-N 1 2 596.714 2.340 1 0 KEAFLO OC[C@H]1O[C@@H](n2cnc3c2nc(NCCc2c[nH+]c[nH]2)nc3NCCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000096902331 562797351 /nfs/dbraw/zinc/79/73/51/562797351.db2.gz BBEYPYQFFDQOOY-CTDWIVFPSA-N 1 2 570.654 2.450 1 0 KEAFLO OC[C@H]1O[C@@H](n2cnc3c2nc(NCCc2c[nH]c[nH+]2)nc3NCCC(c2ccccc2)c2ccccc2)[C@H](O)[C@@H]1O ZINC000096902331 562797350 /nfs/dbraw/zinc/79/73/50/562797350.db2.gz BBEYPYQFFDQOOY-CTDWIVFPSA-N 1 2 570.654 2.450 1 0 KEAFLO O=C1N=C2c3cc4c([nH+]c3N[C@H](c3ccccc3)C2C(=O)N1)N[C@H](c1ccccc1)c1c(=O)[nH]c(=O)[nH]c1-4 ZINC000096906914 562798919 /nfs/dbraw/zinc/79/89/19/562798919.db2.gz XBAPNGDOKDYVTK-RTBURBONSA-N 1 2 505.494 2.199 1 0 KEAFLO O=c1nc(O)c2c([nH]1)-c1cc3c([nH+]c1N[C@@H]2c1ccccc1)N[C@@H](c1ccccc1)c1c(=O)[nH]c(=O)[nH]c1-3 ZINC000096906915 562798913 /nfs/dbraw/zinc/79/89/13/562798913.db2.gz XBAPNGDOKDYVTK-KDURUIRLSA-N 1 2 505.494 2.199 1 0 KEAFLO O=c1nc(O)c2c([nH]1)-c1cc3c([nH+]c1N[C@H]2c1ccccc1)N[C@H](c1ccccc1)c1c(=O)[nH]c(=O)[nH]c1-3 ZINC000096906915 562798912 /nfs/dbraw/zinc/79/89/12/562798912.db2.gz XBAPNGDOKDYVTK-KDURUIRLSA-N 1 2 505.494 2.199 1 0 KEAFLO O=C1N=C2c3cc4c([nH+]c3N[C@@H](c3ccccc3)C2C(=O)N1)N[C@@H](c1ccccc1)c1c(=O)[nH]c(=O)[nH]c1-4 ZINC000096906916 562798916 /nfs/dbraw/zinc/79/89/16/562798916.db2.gz XBAPNGDOKDYVTK-OALUTQOASA-N 1 2 505.494 2.199 1 0 KEAFLO C[C@]1(c2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909930 562799791 /nfs/dbraw/zinc/79/97/91/562799791.db2.gz IXKNFLXHTANFCA-SANMLTNESA-N 1 2 502.579 2.317 1 0 KEAFLO C[C@@]1(c2ccc(Nc3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)cc2)Nc2ccccc2C(=O)N1 ZINC000096909931 562799826 /nfs/dbraw/zinc/79/98/26/562799826.db2.gz IXKNFLXHTANFCA-AREMUKBSSA-N 1 2 502.579 2.317 1 0 KEAFLO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCCO ZINC000101090300 562809128 /nfs/dbraw/zinc/80/91/28/562809128.db2.gz QFUOOSDIBULPDT-MRXNPFEDSA-N 1 2 530.984 2.335 1 0 KEAFLO C[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1Nc1c(=O)c(=O)c1NCCO ZINC000101090300 562809127 /nfs/dbraw/zinc/80/91/27/562809127.db2.gz QFUOOSDIBULPDT-MRXNPFEDSA-N 1 2 530.984 2.335 1 0 KEAFLO C[C@@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2C[N@H+]2[C@@H]3C[C@@H](O)[C@H]2COC3)cc1)C(F)(F)F ZINC000103261625 562821501 /nfs/dbraw/zinc/82/15/01/562821501.db2.gz YCEQAJBFIXGCSK-XARADAHVSA-N 1 2 561.648 2.231 1 0 KEAFLO C[C@@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2C[N@@H+]2[C@@H]3C[C@@H](O)[C@H]2COC3)cc1)C(F)(F)F ZINC000103261625 562821500 /nfs/dbraw/zinc/82/15/00/562821500.db2.gz YCEQAJBFIXGCSK-XARADAHVSA-N 1 2 561.648 2.231 1 0 KEAFLO C[C@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2C[N@H+]2[C@@H]3C[C@@H](O)[C@H]2COC3)cc1)C(F)(F)F ZINC000103261628 562821481 /nfs/dbraw/zinc/82/14/81/562821481.db2.gz YCEQAJBFIXGCSK-GJTYKATRSA-N 1 2 561.648 2.231 1 0 KEAFLO C[C@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2C[N@@H+]2[C@@H]3C[C@@H](O)[C@H]2COC3)cc1)C(F)(F)F ZINC000103261628 562821480 /nfs/dbraw/zinc/82/14/80/562821480.db2.gz YCEQAJBFIXGCSK-GJTYKATRSA-N 1 2 561.648 2.231 1 0 KEAFLO C[C@@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2C[N@H+]2[C@H]3C[C@H](O)[C@@H]2COC3)cc1)C(F)(F)F ZINC000103261631 562821495 /nfs/dbraw/zinc/82/14/95/562821495.db2.gz YCEQAJBFIXGCSK-DXGJXXFVSA-N 1 2 561.648 2.231 1 0 KEAFLO C[C@@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2C[N@@H+]2[C@H]3C[C@H](O)[C@@H]2COC3)cc1)C(F)(F)F ZINC000103261631 562821494 /nfs/dbraw/zinc/82/14/94/562821494.db2.gz YCEQAJBFIXGCSK-DXGJXXFVSA-N 1 2 561.648 2.231 1 0 KEAFLO C[C@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2C[N@H+]2[C@H]3C[C@H](O)[C@@H]2COC3)cc1)C(F)(F)F ZINC000103261634 562821489 /nfs/dbraw/zinc/82/14/89/562821489.db2.gz YCEQAJBFIXGCSK-FLQYYVGBSA-N 1 2 561.648 2.231 1 0 KEAFLO C[C@](O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2C[N@@H+]2[C@H]3C[C@H](O)[C@@H]2COC3)cc1)C(F)(F)F ZINC000103261634 562821488 /nfs/dbraw/zinc/82/14/88/562821488.db2.gz YCEQAJBFIXGCSK-FLQYYVGBSA-N 1 2 561.648 2.231 1 0 KEAFLO CC1(C)CN(CC[N@H+]2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)CCO1 ZINC000112941527 562825767 /nfs/dbraw/zinc/82/57/67/562825767.db2.gz MKPRDFDJZIWWHV-NRFANRHFSA-N 1 2 557.717 2.058 1 0 KEAFLO CC1(C)CN(CC[N@@H+]2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)CCO1 ZINC000112941527 562825766 /nfs/dbraw/zinc/82/57/66/562825766.db2.gz MKPRDFDJZIWWHV-NRFANRHFSA-N 1 2 557.717 2.058 1 0 KEAFLO O=C(c1nn([C@H]2CCC[N@@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112942734 562825934 /nfs/dbraw/zinc/82/59/34/562825934.db2.gz YWWOQYKAYFXXAB-KRWDZBQOSA-N 1 2 553.607 2.037 1 0 KEAFLO O=C(c1nn([C@H]2CCC[N@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112942734 562825933 /nfs/dbraw/zinc/82/59/33/562825933.db2.gz YWWOQYKAYFXXAB-KRWDZBQOSA-N 1 2 553.607 2.037 1 0 KEAFLO C[NH+](C)Cc1noc(-c2cccc(-n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)c2)n1 ZINC000112943390 562826093 /nfs/dbraw/zinc/82/60/93/562826093.db2.gz QAHMBUBBSSZBFB-UHFFFAOYSA-N 1 2 534.598 2.411 1 0 KEAFLO O=C(c1nn([C@@H]2CCC[N@@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112943406 562826097 /nfs/dbraw/zinc/82/60/97/562826097.db2.gz YWWOQYKAYFXXAB-QGZVFWFLSA-N 1 2 553.607 2.037 1 0 KEAFLO O=C(c1nn([C@@H]2CCC[N@H+](CCN3CC(F)(F)C3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1 ZINC000112943406 562826096 /nfs/dbraw/zinc/82/60/96/562826096.db2.gz YWWOQYKAYFXXAB-QGZVFWFLSA-N 1 2 553.607 2.037 1 0 KEAFLO CC(=O)N1CC[NH+](CCOc2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCO3)cc2)CC1 ZINC000113089621 562826170 /nfs/dbraw/zinc/82/61/70/562826170.db2.gz IYLXIHBHDUGMMF-AREMUKBSSA-N 1 2 536.608 2.102 1 0 KEAFLO COc1ncc(Nc2ncc([C@@H](C)[NH+]3CCN(S(C)(=O)=O)CC3)cc2-c2cc(N)nc(C)n2)cc1F ZINC000113157377 562826282 /nfs/dbraw/zinc/82/62/82/562826282.db2.gz DEOAURREWPEMDY-CQSZACIVSA-N 1 2 516.603 2.354 1 0 KEAFLO Cc1nc(N)nc(-c2cc([C@@H](C)[NH+]3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1 ZINC000113238642 562826355 /nfs/dbraw/zinc/82/63/55/562826355.db2.gz ZTTNCSHFSRNEAI-GFCCVEGCSA-N 1 2 520.019 2.381 1 0 KEAFLO Cc1nc(N)nc(-c2cc([C@H](C)[NH+]3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1 ZINC000113238643 562826366 /nfs/dbraw/zinc/82/63/66/562826366.db2.gz ZTTNCSHFSRNEAI-LBPRGKRZSA-N 1 2 520.019 2.381 1 0 KEAFLO COc1ncc(Nc2ncc([C@@H](C)[NH+]3CCN(C(=O)N(C)C)CC3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000113241394 562826381 /nfs/dbraw/zinc/82/63/81/562826381.db2.gz SIDJPDFBZIMIRM-CQSZACIVSA-N 1 2 510.578 2.471 1 0 KEAFLO COc1ncc(Nc2ncc([C@H](C)[NH+]3CCN(C(=O)N(C)C)CC3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000113241395 562826395 /nfs/dbraw/zinc/82/63/95/562826395.db2.gz SIDJPDFBZIMIRM-AWEZNQCLSA-N 1 2 510.578 2.471 1 0 KEAFLO O=C(Nc1ccc(F)cn1)[C@H](C[NH+]1CC(O)C1)Oc1ncnc2c1cnn2-c1c(F)cccc1Cl ZINC000114684913 562828381 /nfs/dbraw/zinc/82/83/81/562828381.db2.gz BMGADORKBYLQMZ-KRWDZBQOSA-N 1 2 501.881 2.205 1 0 KEAFLO Cc1cnc(NC(=O)[C@H](C[NH+]2CC(O)C2)Oc2ncnc3c2cnn3-c2c(Cl)cccc2Cl)cn1 ZINC000114685202 562828363 /nfs/dbraw/zinc/82/83/63/562828363.db2.gz CWLOTRFEEPFEKP-KRWDZBQOSA-N 1 2 515.361 2.283 1 0 KEAFLO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC[NH+](CCO)CC4)cn3)nc2n1C1CCCC1 ZINC000117726297 562829848 /nfs/dbraw/zinc/82/98/48/562829848.db2.gz WETSQJULJPIDGU-UHFFFAOYSA-N 1 2 506.611 2.137 1 0 KEAFLO CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5COC[C@H](C4)[NH2+]5)cn3)nc2n1C1CCCC1 ZINC000118587809 562830422 /nfs/dbraw/zinc/83/04/22/562830422.db2.gz QGOHDQPMIZUYRB-KDURUIRLSA-N 1 2 504.595 2.200 1 0 KEAFLO CCS(=O)(=O)C[C@H](COc1ccc(-n2cnn3cc(-c4ccc(Cl)cc4)cc3c2=O)cc1OC)OC(=O)C[NH3+] ZINC000140514241 562833124 /nfs/dbraw/zinc/83/31/24/562833124.db2.gz MLFITEKLUGRYDW-NRFANRHFSA-N 1 2 575.043 2.498 1 0 KEAFLO COc1cc2c(cc1OC)CN(c1nc(NCCN3CC[NH+](C)CC3)nc(NCc3ccc(C(=O)[O-])cc3)[nH+]1)CC2 ZINC000141099182 562833474 /nfs/dbraw/zinc/83/34/74/562833474.db2.gz IFFVDOKLIUKVIP-UHFFFAOYSA-N 1 2 562.675 2.421 1 0 KEAFLO O=C(C[C@H]1CN(c2cccc(F)n2)CCN1c1ccnc(-n2cc[nH+]c2)n1)NCc1ccc2c(c1)OCO2 ZINC000142215721 562834033 /nfs/dbraw/zinc/83/40/33/562834033.db2.gz ZYJJCOLCHBJORK-IBGZPJMESA-N 1 2 516.537 2.327 1 0 KEAFLO Cc1cc(CCC(=O)[O-])c[nH+]c1N1CCN(c2ncc(-c3cccc(CN(C)C(=O)C[NH3+])c3)cn2)CC1 ZINC000142736797 562834305 /nfs/dbraw/zinc/83/43/05/562834305.db2.gz QDGSBIRQNOGSOH-UHFFFAOYSA-N 1 2 503.607 2.108 1 0 KEAFLO Cc1cc(/C=C/C(=O)[O-])c[nH+]c1N1CCN(c2ncc(-c3cccc(CN(C)C(=O)C[NH3+])c3)cn2)CC1 ZINC000142739390 562834302 /nfs/dbraw/zinc/83/43/02/562834302.db2.gz NSGJXPYAUQEKJI-VOTSOKGWSA-N 1 2 501.591 2.189 1 0 KEAFLO Cc1nnn([C@H]2C[C@@H](C(=O)Nc3ccc(F)nc3)N(c3nc(Nc4cc(C5CC5)[nH]n4)c4cccn4[nH+]3)C2)n1 ZINC000143208972 562834739 /nfs/dbraw/zinc/83/47/39/562834739.db2.gz SUHLVNIZDQSKIF-LPHOPBHVSA-N 1 2 529.544 2.361 1 0 KEAFLO CO[C@@H]1[C@@H](F)CN(C(=O)Cn2nc(C(C)=O)c3c[nH+]ccc32)[C@@H]1C(=O)NCc1cccc(Cl)c1F ZINC000143826994 562835281 /nfs/dbraw/zinc/83/52/81/562835281.db2.gz VFYKIVPBAZZCPY-WQTXXOFMSA-N 1 2 505.909 2.307 1 0 KEAFLO NC(=O)c1nn(CC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cccc(OC(F)(F)F)c2F)c2cc[nH+]cc21 ZINC000143937596 562835448 /nfs/dbraw/zinc/83/54/48/562835448.db2.gz GQRWKGXLZKJXFY-KMUNFCNLSA-N 1 2 506.416 2.196 1 0 KEAFLO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@@H](O)CN6CCOCC6)ccn5)n4)ccc3[nH]2)CC1 ZINC000145298039 562837021 /nfs/dbraw/zinc/83/70/21/562837021.db2.gz RZHHVQJDOVRYCL-QHCPKHFHSA-N 1 2 572.670 2.223 1 0 KEAFLO C[NH+]1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cc(OC[C@H](O)CN6CCOCC6)ccn5)n4)ccc3[nH]2)CC1 ZINC000145298246 562836994 /nfs/dbraw/zinc/83/69/94/562836994.db2.gz RZHHVQJDOVRYCL-HSZRJFAPSA-N 1 2 572.670 2.223 1 0 KEAFLO CN(C)c1nc(Nc2n[nH]c3c2CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2C(N)=O)[nH+]1 ZINC000147497819 562839440 /nfs/dbraw/zinc/83/94/40/562839440.db2.gz UVWCIQDKSYVODO-QRQLOZEOSA-N 1 2 545.652 2.175 1 0 KEAFLO CN(C)c1nc(Nc2n[nH]c3c2CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C3(C)C)nc(N2CCC[C@H]2C(N)=O)[nH+]1 ZINC000147498036 562839453 /nfs/dbraw/zinc/83/94/53/562839453.db2.gz UVWCIQDKSYVODO-NEWSRXKRSA-N 1 2 545.652 2.175 1 0 KEAFLO Cc1c2c(ccc1[C@H]1C[N@H+]3CCN(C(=O)[C@@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CS1)C(=O)OC2 ZINC000148953423 562842006 /nfs/dbraw/zinc/84/20/06/562842006.db2.gz NNNUGBUDVVUHRD-GEQKSPFYSA-N 1 2 517.615 2.067 1 0 KEAFLO Cc1c2c(ccc1[C@H]1C[N@@H+]3CCN(C(=O)[C@@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CS1)C(=O)OC2 ZINC000148953423 562842005 /nfs/dbraw/zinc/84/20/05/562842005.db2.gz NNNUGBUDVVUHRD-GEQKSPFYSA-N 1 2 517.615 2.067 1 0 KEAFLO Cc1c2c(ccc1[C@H]1C[N@H+]3CCN(C(=O)[C@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CS1)C(=O)OC2 ZINC000148953648 562841988 /nfs/dbraw/zinc/84/19/88/562841988.db2.gz NNNUGBUDVVUHRD-WCAVRKLYSA-N 1 2 517.615 2.067 1 0 KEAFLO Cc1c2c(ccc1[C@H]1C[N@@H+]3CCN(C(=O)[C@H]4CCc5cc(-n6cnnn6)ncc54)C[C@H]3CS1)C(=O)OC2 ZINC000148953648 562841987 /nfs/dbraw/zinc/84/19/87/562841987.db2.gz NNNUGBUDVVUHRD-WCAVRKLYSA-N 1 2 517.615 2.067 1 0 KEAFLO CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)OC[C@@H](C[NH+]2CCOCC2)OC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O ZINC000150534671 562843900 /nfs/dbraw/zinc/84/39/00/562843900.db2.gz IEYBVWBXMQBTAO-UJPMWDSZSA-N 1 2 702.846 2.004 1 0 KEAFLO CC(C)[C@H](NC(=O)[C@@H]([NH3+])CNC(=O)c1[nH]c(=O)[nH]c(=O)c1F)C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1ccc(I)cc1I ZINC000150578661 562845423 /nfs/dbraw/zinc/84/54/23/562845423.db2.gz ITEVKSHUABKFON-FIXSFTCYSA-N 1 2 895.553 2.202 1 0 KEAFLO Cc1nc(N)nc(-c2cc([C@@H](C)[NH+]3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1 ZINC000168747657 562851527 /nfs/dbraw/zinc/85/15/27/562851527.db2.gz CHAHQARTCZSLIR-CYBMUJFWSA-N 1 2 549.061 2.228 1 0 KEAFLO Cc1nc(N)nc(-c2cc([C@H](C)[NH+]3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)n1 ZINC000168747745 562851529 /nfs/dbraw/zinc/85/15/29/562851529.db2.gz CHAHQARTCZSLIR-ZDUSSCGKSA-N 1 2 549.061 2.228 1 0 KEAFLO CC(C)CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CCOCC3)[nH+]cc2-c2cnc3[nH]ccc3n2)C1 ZINC000168822663 562851546 /nfs/dbraw/zinc/85/15/46/562851546.db2.gz AQGDWJQZAICCQE-KRWDZBQOSA-N 1 2 500.629 2.114 1 0 KEAFLO COc1ncc(Nc2ncc(C[NH+]3CCN(C(=O)N(C)C4CC4)CC3)cc2-c2nc(C)nc(N)n2)cc1F ZINC000169127734 562851636 /nfs/dbraw/zinc/85/16/36/562851636.db2.gz JQLIHCFYFGWBRN-UHFFFAOYSA-N 1 2 522.589 2.442 1 0 KEAFLO COc1cccc(S(=O)(=O)NCc2noc(-c3nn(CCn4cc[nH+]c4)c4ccccc43)n2)c1OC ZINC000169307352 562853770 /nfs/dbraw/zinc/85/37/70/562853770.db2.gz DUZPFUGZBYVCRP-UHFFFAOYSA-N 1 2 509.548 2.479 1 0 KEAFLO CC(=O)Nc1ccc(S(=O)(=O)NCc2noc(-c3c4ccccc4nn3CCn3cc[nH+]c3)n2)cc1 ZINC000169307353 562853789 /nfs/dbraw/zinc/85/37/89/562853789.db2.gz QUFAEYGIIQCVBJ-UHFFFAOYSA-N 1 2 506.548 2.420 1 0 KEAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169321160 562856558 /nfs/dbraw/zinc/85/65/58/562856558.db2.gz QKZJVHBDROYZOJ-ZZTWKDBPSA-N 1 2 745.922 2.466 1 0 KEAFLO CC(C)C[C@H](NC(=O)C[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169321160 562856557 /nfs/dbraw/zinc/85/65/57/562856557.db2.gz QKZJVHBDROYZOJ-ZZTWKDBPSA-N 1 2 745.922 2.466 1 0 KEAFLO CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169323102 562856931 /nfs/dbraw/zinc/85/69/31/562856931.db2.gz HMWSVKCISNXDGB-JPRYDEJLSA-N 1 2 801.002 2.134 1 0 KEAFLO CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000169323102 562856930 /nfs/dbraw/zinc/85/69/30/562856930.db2.gz HMWSVKCISNXDGB-JPRYDEJLSA-N 1 2 801.002 2.134 1 0 KEAFLO NC(=O)c1c[nH+]ccc1N(CCO)c1nc(-c2nn(Cc3ccccc3F)c3c2CCC3)ncc1OCCO ZINC000169341689 562860885 /nfs/dbraw/zinc/86/08/85/562860885.db2.gz XEXFCVNVCYBDBR-UHFFFAOYSA-N 1 2 533.564 2.012 1 0 KEAFLO Cc1noc(C)c1S(=O)(=O)N(CCOC(C)C)C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1 ZINC000169348751 562862373 /nfs/dbraw/zinc/86/23/73/562862373.db2.gz WGEPMLUTQQQQSC-HFZDXXHNSA-N 1 2 551.662 2.274 1 0 KEAFLO Cc1noc(C)c1S(=O)(=O)N(CCOC(C)C)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1 ZINC000169348751 562862372 /nfs/dbraw/zinc/86/23/72/562862372.db2.gz WGEPMLUTQQQQSC-HFZDXXHNSA-N 1 2 551.662 2.274 1 0 KEAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1OC ZINC000169349402 562862506 /nfs/dbraw/zinc/86/25/06/562862506.db2.gz UREDWEOAHWPLON-KDYSTLNUSA-N 1 2 548.658 2.289 1 0 KEAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1OC ZINC000169349402 562862505 /nfs/dbraw/zinc/86/25/05/562862505.db2.gz UREDWEOAHWPLON-KDYSTLNUSA-N 1 2 548.658 2.289 1 0 KEAFLO CCOCCN(C[C@@H](O)C[N@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1F ZINC000169349403 562862486 /nfs/dbraw/zinc/86/24/86/562862486.db2.gz JHEJAPHOSMBKJY-RXFWQSSRSA-N 1 2 536.622 2.419 1 0 KEAFLO CCOCCN(C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1F ZINC000169349403 562862485 /nfs/dbraw/zinc/86/24/85/562862485.db2.gz JHEJAPHOSMBKJY-RXFWQSSRSA-N 1 2 536.622 2.419 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349494 562862621 /nfs/dbraw/zinc/86/26/21/562862621.db2.gz CJBHZSUJHMFDKA-LDLFXXLYSA-N 1 2 787.659 2.181 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349494 562862620 /nfs/dbraw/zinc/86/26/20/562862620.db2.gz CJBHZSUJHMFDKA-LDLFXXLYSA-N 1 2 787.659 2.181 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349495 562862613 /nfs/dbraw/zinc/86/26/13/562862613.db2.gz CJBHZSUJHMFDKA-FWGCVNADSA-N 1 2 787.659 2.181 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349495 562862612 /nfs/dbraw/zinc/86/26/12/562862612.db2.gz CJBHZSUJHMFDKA-FWGCVNADSA-N 1 2 787.659 2.181 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349496 562862634 /nfs/dbraw/zinc/86/26/34/562862634.db2.gz CJBHZSUJHMFDKA-ISSPZXTRSA-N 1 2 787.659 2.181 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349496 562862633 /nfs/dbraw/zinc/86/26/33/562862633.db2.gz CJBHZSUJHMFDKA-ISSPZXTRSA-N 1 2 787.659 2.181 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349497 562862627 /nfs/dbraw/zinc/86/26/27/562862627.db2.gz CJBHZSUJHMFDKA-YGXYGYJOSA-N 1 2 787.659 2.181 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349497 562862626 /nfs/dbraw/zinc/86/26/26/562862626.db2.gz CJBHZSUJHMFDKA-YGXYGYJOSA-N 1 2 787.659 2.181 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349536 562862670 /nfs/dbraw/zinc/86/26/70/562862670.db2.gz GANHDURLJRWNPW-LDLFXXLYSA-N 1 2 696.208 2.230 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349536 562862669 /nfs/dbraw/zinc/86/26/69/562862669.db2.gz GANHDURLJRWNPW-LDLFXXLYSA-N 1 2 696.208 2.230 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349537 562862683 /nfs/dbraw/zinc/86/26/83/562862683.db2.gz GANHDURLJRWNPW-FWGCVNADSA-N 1 2 696.208 2.230 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@@H]1C(N)=O ZINC000169349537 562862682 /nfs/dbraw/zinc/86/26/82/562862682.db2.gz GANHDURLJRWNPW-FWGCVNADSA-N 1 2 696.208 2.230 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349538 562862679 /nfs/dbraw/zinc/86/26/79/562862679.db2.gz GANHDURLJRWNPW-ISSPZXTRSA-N 1 2 696.208 2.230 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349538 562862678 /nfs/dbraw/zinc/86/26/78/562862678.db2.gz GANHDURLJRWNPW-ISSPZXTRSA-N 1 2 696.208 2.230 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349539 562862644 /nfs/dbraw/zinc/86/26/44/562862644.db2.gz GANHDURLJRWNPW-YGXYGYJOSA-N 1 2 696.208 2.230 1 0 KEAFLO CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N1Cc2ccccc2C[C@H]1C(N)=O ZINC000169349539 562862643 /nfs/dbraw/zinc/86/26/43/562862643.db2.gz GANHDURLJRWNPW-YGXYGYJOSA-N 1 2 696.208 2.230 1 0 KEAFLO CC[C@@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)CC2)CC1 ZINC000169703281 562868690 /nfs/dbraw/zinc/86/86/90/562868690.db2.gz KKFVMROCXUQOLL-XMMPIXPASA-N 1 2 564.731 2.094 1 0 KEAFLO CC[C@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)NCC[NH+]4CCOCC4)cc3)CC2)CC1 ZINC000169703282 562868687 /nfs/dbraw/zinc/86/86/87/562868687.db2.gz KKFVMROCXUQOLL-DEOSSOPVSA-N 1 2 564.731 2.094 1 0 KEAFLO CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC ZINC000169713119 562871237 /nfs/dbraw/zinc/87/12/37/562871237.db2.gz VKXQOMABPRDFBR-JSLVBRCRSA-N 1 2 571.719 2.381 1 0 KEAFLO CCOC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC ZINC000169713119 562871236 /nfs/dbraw/zinc/87/12/36/562871236.db2.gz VKXQOMABPRDFBR-JSLVBRCRSA-N 1 2 571.719 2.381 1 0 KEAFLO CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC ZINC000169713140 562871261 /nfs/dbraw/zinc/87/12/61/562871261.db2.gz IWRVXXDGBDHSOH-QCCYXRBGSA-N 1 2 537.702 2.185 1 0 KEAFLO CCOC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC ZINC000169713140 562871260 /nfs/dbraw/zinc/87/12/60/562871260.db2.gz IWRVXXDGBDHSOH-QCCYXRBGSA-N 1 2 537.702 2.185 1 0 KEAFLO Cc1c(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[N@@H+](C)CC4)c2)nnn1-c1nonc1N ZINC000199982302 562873208 /nfs/dbraw/zinc/87/32/08/562873208.db2.gz RBRPAPSYIDJCOT-QGZVFWFLSA-N 1 2 534.606 2.215 1 0 KEAFLO Cc1c(C(=O)N2CCC[C@@H]2c2cccc(C(=O)Nc3nc4c(s3)C[N@H+](C)CC4)c2)nnn1-c1nonc1N ZINC000199982302 562873207 /nfs/dbraw/zinc/87/32/07/562873207.db2.gz RBRPAPSYIDJCOT-QGZVFWFLSA-N 1 2 534.606 2.215 1 0 KEAFLO C[C@@H]1CN(CC[N@H+]2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)C[C@H](C)O1 ZINC000204639400 562874582 /nfs/dbraw/zinc/87/45/82/562874582.db2.gz RABFNJUMQFEXTQ-BDTNDASRSA-N 1 2 557.717 2.056 1 0 KEAFLO C[C@@H]1CN(CC[N@@H+]2CCC[C@H](n3nc(C(=O)N4CCOCC4)c4c3-c3ccccc3S(=O)(=O)C4)C2)C[C@H](C)O1 ZINC000204639400 562874581 /nfs/dbraw/zinc/87/45/81/562874581.db2.gz RABFNJUMQFEXTQ-BDTNDASRSA-N 1 2 557.717 2.056 1 0 KEAFLO NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000222117444 562879659 /nfs/dbraw/zinc/87/96/59/562879659.db2.gz XHELSBDXXFCHQV-HSZRJFAPSA-N 1 2 664.750 2.487 1 0 KEAFLO NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccc(OCC[NH+]4CCOCC4)cc3)cc2s1)S(=O)(=O)CCC(F)(F)F ZINC000222117503 562879639 /nfs/dbraw/zinc/87/96/39/562879639.db2.gz XHELSBDXXFCHQV-QHCPKHFHSA-N 1 2 664.750 2.487 1 0 KEAFLO Cn1cnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CC[NH+](CCN6CCOCC6)CC5)cc4c3)n2)c1 ZINC000222326362 562879769 /nfs/dbraw/zinc/87/97/69/562879769.db2.gz LODDYJRUCQWYKY-UHFFFAOYSA-N 1 2 515.622 2.192 1 0 KEAFLO Cn1cnc(-c2ccnc(Nc3ccc4[nH]c(C(=O)N5CCN(CC[NH+]6CCOCC6)CC5)cc4c3)n2)c1 ZINC000222326362 562879768 /nfs/dbraw/zinc/87/97/68/562879768.db2.gz LODDYJRUCQWYKY-UHFFFAOYSA-N 1 2 515.622 2.192 1 0 KEAFLO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000299828971 562884670 /nfs/dbraw/zinc/88/46/70/562884670.db2.gz KHMZXANZCWOZCA-TZEHAJJTSA-N 1 2 777.968 2.157 1 0 KEAFLO CC(C)C[C@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000299828971 562884669 /nfs/dbraw/zinc/88/46/69/562884669.db2.gz KHMZXANZCWOZCA-TZEHAJJTSA-N 1 2 777.968 2.157 1 0 KEAFLO CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)NCCC[NH+]3CCOCC3)ccc1OCC)[nH]c2=O ZINC000299854749 562891459 /nfs/dbraw/zinc/89/14/59/562891459.db2.gz AJJROSUANNRIIH-UHFFFAOYSA-N 1 2 518.640 2.088 1 0 KEAFLO COc1cc([C@@H]2c3cc4c(cc3[C@@H](n3cc(C[NH+](C)C)nn3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000473114039 562898878 /nfs/dbraw/zinc/89/88/78/562898878.db2.gz IHLYXAQSLYMEDP-QQJYNPJZSA-N 1 2 508.531 2.315 1 0 KEAFLO O=C1COc2ccc(C[NH2+][C@@H]3CCN(CCn4c(=O)ccc5ncc(Oc6ccon6)cc54)C[C@@H]3F)nc2N1 ZINC000473169328 562903149 /nfs/dbraw/zinc/90/31/49/562903149.db2.gz NRWKEMOZVPFPJY-RBUKOAKNSA-N 1 2 535.536 2.105 1 0 KEAFLO Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(N3CCC(F)(F)C3)[nH+]2)cc1OC(F)(F)F ZINC000653686442 562906505 /nfs/dbraw/zinc/90/65/05/562906505.db2.gz BFZZVQCLACEKJP-UHFFFAOYSA-N 1 2 501.460 2.386 1 0 KEAFLO Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCN(C[C@H]([NH3+])C(=O)[O-])CC3)nc(N)[nH+]2)C(F)(F)F)n1 ZINC000653706014 562907769 /nfs/dbraw/zinc/90/77/69/562907769.db2.gz NKMCWZZMTDZCEY-OXJNMPFZSA-N 1 2 554.961 2.423 1 0 KEAFLO CCCn1c2nc3n(c2c(=O)n(CCC)c1=O)CCCN3CCc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC000653822714 562914203 /nfs/dbraw/zinc/91/42/03/562914203.db2.gz YWNZAPOYHSBXAE-UHFFFAOYSA-N 1 2 524.666 2.344 1 0 KEAFLO c1ccc2[nH]c(-c3ccc(Nc4nc(NCC[NH+]5CCOCC5)nc(N5CCOCC5)n4)cc3)nc2c1 ZINC000653825950 562914433 /nfs/dbraw/zinc/91/44/33/562914433.db2.gz YHQKXWBWKZXCSX-UHFFFAOYSA-N 1 2 501.595 2.161 1 0 KEAFLO Cn1cc(NC(=O)c2cc(NC(=O)c3cc4ccccc4cn3)cn2C)cc1C(=O)NCC[NH+]1CCOCC1 ZINC000653853950 562915664 /nfs/dbraw/zinc/91/56/64/562915664.db2.gz JGQVCSBKHNEKPV-UHFFFAOYSA-N 1 2 529.601 2.478 1 0 KEAFLO COc1ccc(-n2c(I)nc3c2nc(C)nc3NCC[NH+]2CCOCC2)cc1OC ZINC000653866710 562916261 /nfs/dbraw/zinc/91/62/61/562916261.db2.gz KACUONALSPLCBF-UHFFFAOYSA-N 1 2 524.363 2.490 1 0 KEAFLO COc1ccc(-n2c(C)nc3c2nc(I)nc3NCC[NH+]2CCOCC2)cc1OC ZINC000653878469 562916652 /nfs/dbraw/zinc/91/66/52/562916652.db2.gz IHGQQVNPXOCDMZ-UHFFFAOYSA-N 1 2 524.363 2.490 1 0 KEAFLO CC(C)c1nc(N)sc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCC[NH+]3CCOCC3)n(C)c2)n(C)c1 ZINC000653912914 562917757 /nfs/dbraw/zinc/91/77/57/562917757.db2.gz VQLNXWGKPINFJN-UHFFFAOYSA-N 1 2 542.666 2.092 1 0 KEAFLO O=C(Nc1snnc1C(=O)N1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000033436078 553960156 /nfs/dbraw/zinc/96/01/56/553960156.db2.gz ZPEDEUNZHISLJT-VQTJNVASSA-N 1 2 519.631 2.309 2 0 KEAFLO CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)c21 ZINC000004757930 561695318 /nfs/dbraw/zinc/69/53/18/561695318.db2.gz CVTGZDAQWTYMDE-UHFFFAOYSA-N 1 2 521.437 2.266 3 0 KEAFLO O=C([C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000009610592 561709201 /nfs/dbraw/zinc/70/92/01/561709201.db2.gz MZDXDTBUESWFPP-VWLOTQADSA-N 1 2 505.600 2.335 3 0 KEAFLO O=C([C@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1)N1CCN(c2cccc[nH+]2)CC1 ZINC000009610593 561709220 /nfs/dbraw/zinc/70/92/20/561709220.db2.gz MZDXDTBUESWFPP-RUZDIDTESA-N 1 2 505.600 2.335 3 0 KEAFLO Cc1cc(C)cc(SCc2noc(C(=O)NCCCN3CCOCC3)c2C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000017544996 561755751 /nfs/dbraw/zinc/75/57/51/561755751.db2.gz CTOKIWZDPSBFEK-UHFFFAOYSA-N 1 2 559.733 2.488 3 0 KEAFLO O=C(NCCCN1CCOCC1)c1onc(CSc2ccc(F)c(F)c2)c1C(=O)NCCC[NH+]1CCOCC1 ZINC000059889184 562702451 /nfs/dbraw/zinc/70/24/51/562702451.db2.gz GSUUUKFJTNDDDV-UHFFFAOYSA-N 1 2 567.659 2.149 3 0 KEAFLO CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@H](CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000061921015 562703125 /nfs/dbraw/zinc/70/31/25/562703125.db2.gz DJLMNMXTKWEEGI-QFIPXVFZSA-N 1 2 500.640 2.025 3 0 KEAFLO CCN(CC)C(=O)C1=C(C)N(Cc2ccc(OC)cc2)C(=O)[C@@H](CC(=O)NCC[NH+]2CCOCC2)C1 ZINC000061921016 562703149 /nfs/dbraw/zinc/70/31/49/562703149.db2.gz DJLMNMXTKWEEGI-JOCHJYFZSA-N 1 2 500.640 2.025 3 0 KEAFLO CC1=C(C(=O)N2CCOCC2)C[C@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921933 562703273 /nfs/dbraw/zinc/70/32/73/562703273.db2.gz YQJBRTXFPPAEBS-XMMPIXPASA-N 1 2 540.705 2.304 3 0 KEAFLO CC1=C(C(=O)N2CCOCC2)C[C@@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N1Cc1ccc(C(C)(C)C)cc1 ZINC000061921934 562703247 /nfs/dbraw/zinc/70/32/47/562703247.db2.gz YQJBRTXFPPAEBS-DEOSSOPVSA-N 1 2 540.705 2.304 3 0 KEAFLO NS(=O)(=O)c1ccc(CCNc2ccn3nc(-c4ccc(OCC[NH+]5CCOCC5)cc4)cc3n2)cc1 ZINC000061928333 562703631 /nfs/dbraw/zinc/70/36/31/562703631.db2.gz FDXHOSGRJWQGBM-UHFFFAOYSA-N 1 2 522.631 2.409 3 0 KEAFLO C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCCCn1cc[nH+]c1)C[C@@H]2C(=O)N1CCOCC1 ZINC000061946984 562703992 /nfs/dbraw/zinc/70/39/92/562703992.db2.gz JPZVUFIGXDPNER-MMOLPGFLSA-N 1 2 532.645 2.056 3 0 KEAFLO C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCCCn1cc[nH+]c1)C[C@@H]2C(=O)N1CCOCC1 ZINC000061946985 562704011 /nfs/dbraw/zinc/70/40/11/562704011.db2.gz JPZVUFIGXDPNER-XCSROIPSSA-N 1 2 532.645 2.056 3 0 KEAFLO C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCCCC1 ZINC000061947002 562704027 /nfs/dbraw/zinc/70/40/27/562704027.db2.gz OUOCJCJSQPPSLL-DWJZLWSHSA-N 1 2 535.689 2.255 3 0 KEAFLO C[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCCCC1 ZINC000061947003 562704009 /nfs/dbraw/zinc/70/40/09/562704009.db2.gz OUOCJCJSQPPSLL-KVXPRDAPSA-N 1 2 535.689 2.255 3 0 KEAFLO CC[C@@]1(C(=O)OC)[NH2+][C@H](CN(C)C(=O)Nc2ccc(OC)cc2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21 ZINC000061947113 562704032 /nfs/dbraw/zinc/70/40/32/562704032.db2.gz BYWRYJQESSWPFM-RSOWOKRSSA-N 1 2 508.575 2.254 3 0 KEAFLO CCN(C[C@H]1[NH2+][C@@](C)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)Nc1ccc(OC)cc1 ZINC000061947128 562704051 /nfs/dbraw/zinc/70/40/51/562704051.db2.gz JYUMKEPJSVKSIC-RSOWOKRSSA-N 1 2 508.575 2.254 3 0 KEAFLO CCN(C[C@H]1[NH2+][C@@](CC)(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]12)C(=O)COc1ccccc1 ZINC000061947188 562704069 /nfs/dbraw/zinc/70/40/69/562704069.db2.gz FNHWCFSWVAGQSB-ZYPUAGOQSA-N 1 2 507.587 2.009 3 0 KEAFLO CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NCCCn3cc[nH+]c3)C[C@H](C(=O)N3CCOCC3)[C@@]12C ZINC000066112581 562712055 /nfs/dbraw/zinc/71/20/55/562712055.db2.gz IUWZOWGOCBEGIL-NGCWJHASSA-N 1 2 631.778 2.077 3 0 KEAFLO CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N2CCc3c4ccc(CCC(=O)N(C)C)cc4[nH]c3[C@]12C ZINC000066122904 562712419 /nfs/dbraw/zinc/71/24/19/562712419.db2.gz WWAXPWKOSVVZMW-NGCWJHASSA-N 1 2 622.811 2.132 3 0 KEAFLO CN(C)C(=O)CCc1ccc2c(c1)[nH]c1c2CCN2C(=O)[C@@H](CC(=O)NCC[NH+]3CCOCC3)C[C@H](C(=O)N3CCCCC3)[C@@]12C ZINC000066129438 562712954 /nfs/dbraw/zinc/71/29/54/562712954.db2.gz WWAOXARXKIXJLH-ZDMRONSHSA-N 1 2 634.822 2.276 3 0 KEAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCCCn2cc[nH+]c2)C[C@H](C(=O)N2CCOCC2)[C@@]31C ZINC000066147987 562713549 /nfs/dbraw/zinc/71/35/49/562713549.db2.gz YJRFLQHHHJOJDQ-AJUGZHKCSA-N 1 2 562.671 2.064 3 0 KEAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCCCn2cc[nH+]c2)C[C@H](C(=O)N2CCOCC2)[C@@]31C ZINC000066147989 562713552 /nfs/dbraw/zinc/71/35/52/562713552.db2.gz YJRFLQHHHJOJDQ-VNOSDSGASA-N 1 2 562.671 2.064 3 0 KEAFLO C[C@]12c3[nH]c4cc(-c5ccco5)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCOCC1 ZINC000066148821 562713696 /nfs/dbraw/zinc/71/36/96/562713696.db2.gz ZPIFHDNIPBOUFH-CBBCSGBYSA-N 1 2 603.720 2.361 3 0 KEAFLO CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@]12C ZINC000066157078 562713893 /nfs/dbraw/zinc/71/38/93/562713893.db2.gz IPXOQVQQAKAUCM-VNOSDSGASA-N 1 2 553.704 2.119 3 0 KEAFLO CCN(CC)C(=O)[C@H]1C[C@@H](CC(=O)NCC[NH+]2CCOCC2)C(=O)N2CCc3c4cc(OC)ccc4[nH]c3[C@]12C ZINC000066157080 562713881 /nfs/dbraw/zinc/71/38/81/562713881.db2.gz IPXOQVQQAKAUCM-AJUGZHKCSA-N 1 2 553.704 2.119 3 0 KEAFLO CC[C@]12c3[nH]c4cc(CCC(=O)N(C)C)ccc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072127994 562725970 /nfs/dbraw/zinc/72/59/70/562725970.db2.gz LDRKDOPDBGINMH-XNIXQABXSA-N 1 2 743.906 2.231 3 0 KEAFLO CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072134824 562727340 /nfs/dbraw/zinc/72/73/40/562727340.db2.gz VEMZIEUDKIKBPE-ZLFCLBACSA-N 1 2 644.773 2.210 3 0 KEAFLO CC[C@]12c3[nH]c4ccccc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072134825 562727326 /nfs/dbraw/zinc/72/73/26/562727326.db2.gz VEMZIEUDKIKBPE-GQJUXMMVSA-N 1 2 644.773 2.210 3 0 KEAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@H](CC(=O)NCC[NH+]2CCOCC2)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000072138177 562728638 /nfs/dbraw/zinc/72/86/38/562728638.db2.gz BZQHUCMMPWWJOQ-ZQBNOCPASA-N 1 2 565.715 2.264 3 0 KEAFLO COc1ccc2[nH]c3c(c2c1)CCN1C(=O)[C@@H](CC(=O)NCC[NH+]2CCOCC2)C[C@H](C(=O)N2CCCCC2)[C@@]31C ZINC000072138178 562728651 /nfs/dbraw/zinc/72/86/51/562728651.db2.gz BZQHUCMMPWWJOQ-KVUJLMPWSA-N 1 2 565.715 2.264 3 0 KEAFLO CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072144113 562729695 /nfs/dbraw/zinc/72/96/95/562729695.db2.gz HMTNVFVTDBTWKD-PKIQXVAYSA-N 1 2 674.799 2.219 3 0 KEAFLO CC[C@]12c3[nH]c4ccc(OC)cc4c3CCN1C(=O)[C@@H](CC(=O)NCC[NH+]1CCOCC1)C[C@@H]2C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000072144114 562729720 /nfs/dbraw/zinc/72/97/20/562729720.db2.gz HMTNVFVTDBTWKD-XWRPZKLYSA-N 1 2 674.799 2.219 3 0 KEAFLO CC(C)NC(=O)C[NH+]1CCN([C@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095566725 562765193 /nfs/dbraw/zinc/76/51/93/562765193.db2.gz ILPONJVEQPZJOC-MHZLTWQESA-N 1 2 528.617 2.213 3 0 KEAFLO CC(C)NC(=O)C[NH+]1CCN([C@@H](c2nnnn2-c2ccc3c(c2)OCCO3)c2ccnc3ccccc32)CC1 ZINC000095566726 562765182 /nfs/dbraw/zinc/76/51/82/562765182.db2.gz ILPONJVEQPZJOC-HHHXNRCGSA-N 1 2 528.617 2.213 3 0 KEAFLO O=S1(=O)C[C@H](N2CC[NH+](Cc3ccccc3F)CC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000095570432 562768246 /nfs/dbraw/zinc/76/82/46/562768246.db2.gz ZUCPPEULGHBPMT-HSZRJFAPSA-N 1 2 519.046 2.451 3 0 KEAFLO O=S1(=O)C[C@@H](N2CC[NH+](Cc3ccccc3F)CC2)CN1Cc1cn(Cc2ccc(Cl)cc2)nn1 ZINC000095570433 562768212 /nfs/dbraw/zinc/76/82/12/562768212.db2.gz ZUCPPEULGHBPMT-QHCPKHFHSA-N 1 2 519.046 2.451 3 0 KEAFLO O=S1(=O)C[C@H](N2CC[NH+](Cc3ccccc3F)CC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000095600182 562778668 /nfs/dbraw/zinc/77/86/68/562778668.db2.gz YKMMNQFSWIFDCS-HSZRJFAPSA-N 1 2 519.046 2.451 3 0 KEAFLO O=S1(=O)C[C@@H](N2CC[NH+](Cc3ccccc3F)CC2)CN1Cc1cn(Cc2cccc(Cl)c2)nn1 ZINC000095600183 562778673 /nfs/dbraw/zinc/77/86/73/562778673.db2.gz YKMMNQFSWIFDCS-QHCPKHFHSA-N 1 2 519.046 2.451 3 0 KEAFLO Cc1cc(C)cc(Cn2cc(CN3C[C@H](N4CC[NH+](Cc5ccccc5F)CC4)CS3(=O)=O)nn2)c1 ZINC000095604604 562781086 /nfs/dbraw/zinc/78/10/86/562781086.db2.gz IQCIDQMOFHPHPP-VWLOTQADSA-N 1 2 512.655 2.414 3 0 KEAFLO Cc1cc(C)cc(Cn2cc(CN3C[C@@H](N4CC[NH+](Cc5ccccc5F)CC4)CS3(=O)=O)nn2)c1 ZINC000095604605 562781105 /nfs/dbraw/zinc/78/11/05/562781105.db2.gz IQCIDQMOFHPHPP-RUZDIDTESA-N 1 2 512.655 2.414 3 0 KEAFLO