smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000409414788 1069811619 /nfs/dbraw/zinc/81/16/19/1069811619.db2.gz OGAALCAMVGRVKS-VPBGZUCWSA-N 1 1 646.829 5.509 50 0 KKAAMO Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CCN(CCOc2cccc(C[N@@H+](C)Cc3cccs3)c2)CC1 ZINC000101955172 1069825261 /nfs/dbraw/zinc/82/52/61/1069825261.db2.gz VZQKSEHXOHGFFZ-UHFFFAOYSA-N 1 1 537.129 5.660 50 0 KKAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000524729146 1069825952 /nfs/dbraw/zinc/82/59/52/1069825952.db2.gz FYZRAJRJPBNCIK-OCUZPWFOSA-N 1 1 662.872 5.558 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1c(C)c2c3occ(-c4ccccc4)c3c(C)cc2oc1=O ZINC000409414018 1069848656 /nfs/dbraw/zinc/84/86/56/1069848656.db2.gz MPOPOPYFXSZFCU-LBNVMWSVSA-N 1 1 556.703 6.105 50 0 KKAAMO COc1cc(OC)cc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)c1 ZINC000102261935 1069852883 /nfs/dbraw/zinc/85/28/83/1069852883.db2.gz FDFZUZKWPMKAAJ-GDLZYMKVSA-N 1 1 553.703 6.348 50 0 KKAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@@H]1CCCCN1C(=O)c1csc(C)n1 ZINC000102539168 1069859430 /nfs/dbraw/zinc/85/94/30/1069859430.db2.gz CCUUHHJOOMQHLR-SANMLTNESA-N 1 1 552.716 5.385 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1)Cc1ccc2ncccc2c1 ZINC000102410423 1069857396 /nfs/dbraw/zinc/85/73/96/1069857396.db2.gz XUKSNNQMMSTVND-RUZDIDTESA-N 1 1 547.621 6.817 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000409414751 1070928632 /nfs/dbraw/zinc/92/86/32/1070928632.db2.gz WIPTXFZRGNBGPD-IUGUYLHOSA-N 1 1 572.750 5.101 50 0 KKAAMO COc1ccc(OC)c(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000299776786 1071048678 /nfs/dbraw/zinc/04/86/78/1071048678.db2.gz HGBVXCBZGPOXEY-NRFANRHFSA-N 1 1 536.694 5.496 50 0 KKAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@@H]1CCCCN1C(=O)c1cn2ccccc2n1 ZINC000299801317 1071049744 /nfs/dbraw/zinc/04/97/44/1071049744.db2.gz ZKOBFJSBFMWSBY-NDEPHWFRSA-N 1 1 571.697 5.268 50 0 KKAAMO COc1ccc(C)cc1NC(=O)N1C[C@@H]2CCC[N@H+]3CCC[C@H]([C@H]1CCCC(=O)Nc1ccccc1)[C@H]23 ZINC000257185315 1071186475 /nfs/dbraw/zinc/18/64/75/1071186475.db2.gz JJWOYPGVFPTSMZ-QEFFQVBRSA-N 1 1 504.675 5.519 50 0 KKAAMO C[N@@H+](Cc1cccc(OC2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)c1)Cc1cccc2ncccc12 ZINC000011784921 1071231445 /nfs/dbraw/zinc/23/14/45/1071231445.db2.gz FRSGEZTUWBPHJZ-UHFFFAOYSA-N 1 1 531.660 5.736 50 0 KKAAMO C[N@@H+](Cc1cccc(OC2CCN(C(=O)C[C@@H]3NC(=O)c4ccccc43)CC2)c1)Cc1cccc2ncccc12 ZINC000012041329 1071235084 /nfs/dbraw/zinc/23/50/84/1071235084.db2.gz NQDKROXHZHBRBL-HKBQPEDESA-N 1 1 534.660 5.111 50 0 KKAAMO COc1cc(C(=O)N2CCC(Oc3cccc(C[N@@H+](C)Cc4ccsc4)c3)CC2)cc(OC)c1OC ZINC000012201286 1071238617 /nfs/dbraw/zinc/23/86/17/1071238617.db2.gz QHFMCPGZJOVNPR-UHFFFAOYSA-N 1 1 510.656 5.090 50 0 KKAAMO C[N@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)CN2CCCCC2)c1)Cc1cccc2cccnc21 ZINC000012159383 1071236741 /nfs/dbraw/zinc/23/67/41/1071236741.db2.gz WOUUPFRMPVKLJF-LJAQVGFWSA-N 1 1 514.714 5.503 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)CN2CCCCC2)c1)Cc1cccc2cccnc21 ZINC000012159383 1071236763 /nfs/dbraw/zinc/23/67/63/1071236763.db2.gz WOUUPFRMPVKLJF-LJAQVGFWSA-N 1 1 514.714 5.503 50 0 KKAAMO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N(CCCOC)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000604404049 1071268387 /nfs/dbraw/zinc/26/83/87/1071268387.db2.gz ANKZXIMZBGQTDU-LUZOJMLRSA-N 1 1 720.952 5.819 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@H+](Cc2ccccc2)C1 ZINC000200511698 1071290568 /nfs/dbraw/zinc/29/05/68/1071290568.db2.gz RWDHXTAGZZZGSB-XZWHSSHBSA-N 1 1 517.673 5.722 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000200514735 1071290631 /nfs/dbraw/zinc/29/06/31/1071290631.db2.gz BWAUUDGRBYMXTL-ABYGYWHVSA-N 1 1 567.730 5.550 50 0 KKAAMO O=C1NCCCOc2cccc(c2)[C@H]2c3ccc(cc3CC[N@H+]2Cc2ccncc2)Oc2ccc(O)c1c2 ZINC000952858820 1071297525 /nfs/dbraw/zinc/29/75/25/1071297525.db2.gz HBJQKIKAVCWJGT-PMERELPUSA-N 1 1 507.590 5.240 50 0 KKAAMO CC(C)C[N@@H+]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[C@H](COc2cccc(C(F)(F)F)c2)C1 ZINC000014536476 1072891368 /nfs/dbraw/zinc/89/13/68/1072891368.db2.gz OWCKJHXPEVNTJL-RBBKRZOGSA-N 1 1 501.593 5.519 50 0 KKAAMO COc1cccc(CN2C(=O)N(CCC(C)C)C3(CC[NH+](Cc4nc5ccccc5s4)CC3)C2=O)c1 ZINC000014753300 1072892512 /nfs/dbraw/zinc/89/25/12/1072892512.db2.gz VFGBGZPTIKFUOW-UHFFFAOYSA-N 1 1 506.672 5.150 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2cnsn2)c1)Cc1cccc2cccnc21 ZINC000014960963 1072893893 /nfs/dbraw/zinc/89/38/93/1072893893.db2.gz WUZCDWPOSKNROZ-DEOSSOPVSA-N 1 1 501.656 5.182 50 0 KKAAMO Cc1ccsc1C(=O)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000014993877 1072895208 /nfs/dbraw/zinc/89/52/08/1072895208.db2.gz AGFGIGCTHPDOLU-XMMPIXPASA-N 1 1 507.675 5.449 50 0 KKAAMO Cc1ccc(C(=O)N2CCC[C@@H](COc3cccc(C[NH+]4CCN(c5ccccc5F)CC4)c3)C2)s1 ZINC000015006957 1072896181 /nfs/dbraw/zinc/89/61/81/1072896181.db2.gz IDRPDCHAHXODAB-XMMPIXPASA-N 1 1 507.675 5.449 50 0 KKAAMO C[N@@H+](Cc1cccs1)Cc1cccc(OC2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000015007829 1072896340 /nfs/dbraw/zinc/89/63/40/1072896340.db2.gz OSQKGZJTLPIYTG-UHFFFAOYSA-N 1 1 507.681 5.160 50 0 KKAAMO C[N@@H+](Cc1cccs1)Cc1cccc(OC2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000055035830 1072899254 /nfs/dbraw/zinc/89/92/54/1072899254.db2.gz YRPBBDFLDZCUAD-UHFFFAOYSA-N 1 1 524.630 5.631 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000000651434 551512858 /nfs/dbraw/zinc/51/28/58/551512858.db2.gz QIYUTQGYMREQLX-UIOOFZCWSA-N 1 1 502.958 5.170 50 0 KKAAMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@]12c1[nH]c3ccccc3c1CCN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000001019664 551597208 /nfs/dbraw/zinc/59/72/08/551597208.db2.gz WFVVMUOCJWVLFU-XPNCQOHCSA-N 1 1 597.759 6.665 50 0 KKAAMO Clc1ccc(-c2csc3ncnc(N4CC[NH+]([C@@H](c5ccccc5)c5ccccc5Cl)CC4)c23)cc1 ZINC000001744791 551691903 /nfs/dbraw/zinc/69/19/03/551691903.db2.gz WQAIQVFWPIAEJD-MHZLTWQESA-N 1 1 531.512 7.577 50 0 KKAAMO Cc1cc(C)c(C)c(Oc2c(=O)c3ccc(OC(=O)c4ccc(F)cc4)c(C[NH+]4CCC(C)CC4)c3oc2C(F)(F)F)c1 ZINC000001785107 551699153 /nfs/dbraw/zinc/69/91/53/551699153.db2.gz GIZKLURWSCZIFQ-UHFFFAOYSA-N 1 1 597.605 8.120 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 ZINC000001802756 551703955 /nfs/dbraw/zinc/70/39/55/551703955.db2.gz GWJBJBKDXKRCRK-YTTGMZPUSA-N 1 1 586.143 8.476 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000002233355 551797993 /nfs/dbraw/zinc/79/79/93/551797993.db2.gz DEYIAHNJUHAKHC-PMERELPUSA-N 1 1 541.659 7.415 50 0 KKAAMO CCOC(=O)CN1C(c2ccc(Br)cc2)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002280720 551806081 /nfs/dbraw/zinc/80/60/81/551806081.db2.gz NLWVNXPEYXOPOL-HSZRJFAPSA-N 1 1 528.244 6.258 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccccc2OC)cc1 ZINC000002603876 552135080 /nfs/dbraw/zinc/13/50/80/552135080.db2.gz UFUSZKGVNMHJPS-XIFFEERXSA-N 1 1 581.724 7.831 50 0 KKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(C)c(Cl)c3)C[C@@H]2C)c1 ZINC000002714233 552161259 /nfs/dbraw/zinc/16/12/59/552161259.db2.gz KOBULNAFOLZVGJ-QHCPKHFHSA-N 1 1 508.069 7.073 50 0 KKAAMO Cc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)C[C@@H]2C)cc1 ZINC000002714577 552161427 /nfs/dbraw/zinc/16/14/27/552161427.db2.gz JEUFFACBZORQHE-QFIPXVFZSA-N 1 1 538.493 6.874 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000002715250 552161431 /nfs/dbraw/zinc/16/14/31/552161431.db2.gz USYZIPKKBJVHDM-UHFFFAOYSA-N 1 1 510.041 6.466 50 0 KKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(c2ccccc2)c2ccccc2)c1 ZINC000002975009 552246687 /nfs/dbraw/zinc/24/66/87/552246687.db2.gz QRYIVQDGEWUPRP-UHFFFAOYSA-N 1 1 548.612 8.740 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)Cc1ccccc1 ZINC000003054670 552279785 /nfs/dbraw/zinc/27/97/85/552279785.db2.gz MYXMPHJGINWDMI-TURZUDJPSA-N 1 1 578.576 6.346 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003062549 552283445 /nfs/dbraw/zinc/28/34/45/552283445.db2.gz FPSGMIQCHGQJRH-BDRDOBMZSA-N 1 1 529.681 6.110 50 0 KKAAMO COc1ccccc1NS(=O)(=O)c1ccc2oc(=S)n(C[N@H+](CCc3ccccc3)Cc3ccccc3)c2c1 ZINC000003268748 552330986 /nfs/dbraw/zinc/33/09/86/552330986.db2.gz UIFPRCLGEHMGQD-UHFFFAOYSA-N 1 1 559.713 6.476 50 0 KKAAMO COc1ccccc1NS(=O)(=O)c1ccc2oc(=S)n(C[N@@H+](CCc3ccccc3)Cc3ccccc3)c2c1 ZINC000003268748 552330990 /nfs/dbraw/zinc/33/09/90/552330990.db2.gz UIFPRCLGEHMGQD-UHFFFAOYSA-N 1 1 559.713 6.476 50 0 KKAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)Cc2ccccc2Cl)cc1 ZINC000006013456 552518720 /nfs/dbraw/zinc/51/87/20/552518720.db2.gz NLEYHQYQJNCTQJ-UHFFFAOYSA-N 1 1 588.173 5.773 50 0 KKAAMO COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)=NN1C(=O)C[NH+]1CCCC1 ZINC000006283053 552578150 /nfs/dbraw/zinc/57/81/50/552578150.db2.gz ZPMIDVGQCHQZAA-SANMLTNESA-N 1 1 541.051 5.631 50 0 KKAAMO O=C(c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008432293 553025581 /nfs/dbraw/zinc/02/55/81/553025581.db2.gz WUPGXGKRBFGXHA-UHFFFAOYSA-N 1 1 610.467 7.269 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3OC)CC2)cc1 ZINC000008583055 553078534 /nfs/dbraw/zinc/07/85/34/553078534.db2.gz ZVFUBFVRMJJWNX-UHFFFAOYSA-N 1 1 505.622 5.821 50 0 KKAAMO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008711950 553125776 /nfs/dbraw/zinc/12/57/76/553125776.db2.gz FTRAAJXBEKTOQE-VPUSJEBWSA-N 1 1 614.499 7.398 50 0 KKAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000008918642 553188508 /nfs/dbraw/zinc/18/85/08/553188508.db2.gz KOJBRAJOHGAIBN-ZWKOTPCHSA-N 1 1 502.124 6.618 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000008918642 553188511 /nfs/dbraw/zinc/18/85/11/553188511.db2.gz KOJBRAJOHGAIBN-ZWKOTPCHSA-N 1 1 502.124 6.618 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)[C@H]1c1cccs1 ZINC000009433325 553263062 /nfs/dbraw/zinc/26/30/62/553263062.db2.gz JHWNGRAWSBQZHE-URLMMPGGSA-N 1 1 517.739 6.102 50 0 KKAAMO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)ccc2Sc2ccccc21 ZINC000009561554 553281319 /nfs/dbraw/zinc/28/13/19/553281319.db2.gz DXDGRYDINFCOEL-UHFFFAOYSA-N 1 1 502.659 5.763 50 0 KKAAMO CCCC1=Nc2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)ccc2Sc2ccccc21 ZINC000009561562 553281342 /nfs/dbraw/zinc/28/13/42/553281342.db2.gz MBFPORHZTQZFOG-UHFFFAOYSA-N 1 1 516.686 6.153 50 0 KKAAMO COc1ccc([C@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000011852335 553344827 /nfs/dbraw/zinc/34/48/27/553344827.db2.gz OHTJGYOJKYELKH-MUUNZHRXSA-N 1 1 555.078 6.021 50 0 KKAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccccc1Cl ZINC000011852333 553344835 /nfs/dbraw/zinc/34/48/35/553344835.db2.gz SNSWSHMBBXAZIC-MHZLTWQESA-N 1 1 559.497 6.666 50 0 KKAAMO Cc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)s1 ZINC000012122239 553351661 /nfs/dbraw/zinc/35/16/61/553351661.db2.gz OSCPQBYIUOGDAM-MHZLTWQESA-N 1 1 513.707 6.701 50 0 KKAAMO COc1ccc(NC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000012282329 553356276 /nfs/dbraw/zinc/35/62/76/553356276.db2.gz HETQYIZWOAJJHD-HXUWFJFHSA-N 1 1 502.611 5.649 50 0 KKAAMO Brc1ccc(-c2nc3ccccc3c(SC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000012633652 553406166 /nfs/dbraw/zinc/40/61/66/553406166.db2.gz AFWQYOUZDASDGD-QFIPXVFZSA-N 1 1 506.469 6.052 50 0 KKAAMO Brc1ccc(-c2nc3ccccc3c(SC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000012633652 553406169 /nfs/dbraw/zinc/40/61/69/553406169.db2.gz AFWQYOUZDASDGD-QFIPXVFZSA-N 1 1 506.469 6.052 50 0 KKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1)c1ccccc1I ZINC000012843149 553421562 /nfs/dbraw/zinc/42/15/62/553421562.db2.gz ANXIGIGMDPNMBA-UHFFFAOYSA-N 1 1 515.370 5.005 50 0 KKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1)c1cc(Br)ccc1Cl ZINC000012856845 553422471 /nfs/dbraw/zinc/42/24/71/553422471.db2.gz CPAJYOZRANOGTE-UHFFFAOYSA-N 1 1 502.815 5.816 50 0 KKAAMO CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1 ZINC000014277133 553509959 /nfs/dbraw/zinc/50/99/59/553509959.db2.gz VQDLCEHAGVOSMC-UHFFFAOYSA-N 1 1 506.647 5.062 50 0 KKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@@H+](CCc2ccccc2)C1 ZINC000014751042 553520436 /nfs/dbraw/zinc/52/04/36/553520436.db2.gz UOLCBIPCAWWQPK-RRPNLBNLSA-N 1 1 509.625 5.415 50 0 KKAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)c4cccc(-c5cccc(F)c5)c4)CC3)cc2)cn1 ZINC000014991784 553524148 /nfs/dbraw/zinc/52/41/48/553524148.db2.gz DTVCYUGTGOHRQF-UHFFFAOYSA-N 1 1 512.629 5.542 50 0 KKAAMO Cc1cc(C(C)(C)c2cc(C)c(NC(=O)C[NH+]3CCCC3)c(C)c2)cc(C)c1NC(=O)CN1CCCC1 ZINC000015745877 553536028 /nfs/dbraw/zinc/53/60/28/553536028.db2.gz MWZXRVPXPBMGAC-UHFFFAOYSA-N 1 1 504.719 5.315 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000015946024 553544139 /nfs/dbraw/zinc/54/41/39/553544139.db2.gz UYRFEZVUDGNLDV-LJQANCHMSA-N 1 1 527.731 5.839 50 0 KKAAMO COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015945908 553544145 /nfs/dbraw/zinc/54/41/45/553544145.db2.gz ULFXFPKJEHXNGN-MOPGFXCFSA-N 1 1 527.731 5.839 50 0 KKAAMO COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015945908 553544148 /nfs/dbraw/zinc/54/41/48/553544148.db2.gz ULFXFPKJEHXNGN-MOPGFXCFSA-N 1 1 527.731 5.839 50 0 KKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2CC)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000015946798 553544798 /nfs/dbraw/zinc/54/47/98/553544798.db2.gz HOAQCNNBBJKTLI-FCHUYYIVSA-N 1 1 509.760 6.917 50 0 KKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2CC)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000015946798 553544799 /nfs/dbraw/zinc/54/47/99/553544799.db2.gz HOAQCNNBBJKTLI-FCHUYYIVSA-N 1 1 509.760 6.917 50 0 KKAAMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000015946786 553544896 /nfs/dbraw/zinc/54/48/96/553544896.db2.gz FQXCPZMUDHXOQY-GHTZIAJQSA-N 1 1 516.151 7.008 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000015946786 553544899 /nfs/dbraw/zinc/54/48/99/553544899.db2.gz FQXCPZMUDHXOQY-GHTZIAJQSA-N 1 1 516.151 7.008 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)ccc2OCc2ccccc2)N3)C1 ZINC000015947068 553545098 /nfs/dbraw/zinc/54/50/98/553545098.db2.gz YHILSUQXAUFKTF-QHCPKHFHSA-N 1 1 512.473 6.285 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccc(C)cc3)[C@@H](C)C2)cc1 ZINC000016712898 553575126 /nfs/dbraw/zinc/57/51/26/553575126.db2.gz KUMHEKZSAHTLNT-DEOSSOPVSA-N 1 1 503.650 6.510 50 0 KKAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CC[C@H](c5ccc(F)cc5)[C@H](COc5ccc6c(c5)OCO6)C4)[C@H]3C=C12 ZINC000070687008 553605860 /nfs/dbraw/zinc/60/58/60/553605860.db2.gz JIVVYSVNBXXPDE-LKJIKJMRSA-N 1 1 561.694 6.353 50 0 biogenic KKAAMO COc1ccc(CC(=[NH2+])Nc2cc3cc(OC)c(OC)cc3c(Cc3ccc(OC)c(OC)c3)n2)cc1OC ZINC000019703064 553615360 /nfs/dbraw/zinc/61/53/60/553615360.db2.gz JINNUQXHPDZHTP-UHFFFAOYSA-N 1 1 531.609 5.509 50 0 biogenic KKAAMO O=C(c1cc2cc(Br)ccc2oc1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019770399 553616117 /nfs/dbraw/zinc/61/61/17/553616117.db2.gz QMIYMMXIWXNODJ-UHFFFAOYSA-N 1 1 503.396 5.103 50 0 KKAAMO CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070700938 553620012 /nfs/dbraw/zinc/62/00/12/553620012.db2.gz ITTXCHWKPWHWKZ-NZWZHHCMSA-N 1 1 542.035 5.142 50 0 biogenic KKAAMO CC(C)Oc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000070700938 553620016 /nfs/dbraw/zinc/62/00/16/553620016.db2.gz ITTXCHWKPWHWKZ-NZWZHHCMSA-N 1 1 542.035 5.142 50 0 biogenic KKAAMO CCOc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3nc(-c4ccccc4C)oc3C)C2)cc1OCC ZINC000020240907 553626800 /nfs/dbraw/zinc/62/68/00/553626800.db2.gz WFTYPVSRZVKVGJ-XMMPIXPASA-N 1 1 505.659 5.327 50 0 KKAAMO Cc1c2cc(Cl)ccc2[nH]c1C(=O)NC[C@@H](C)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000020321809 553637829 /nfs/dbraw/zinc/63/78/29/553637829.db2.gz MDHWMBROKSBYQP-OAQYLSRUSA-N 1 1 532.088 5.040 50 0 KKAAMO CC(C)CC[C@@H](NC(=O)Nc1ccc(Br)cc1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020386591 553644090 /nfs/dbraw/zinc/64/40/90/553644090.db2.gz BUBPACAMFNRYID-OAQYLSRUSA-N 1 1 515.521 6.588 50 0 KKAAMO O=C(c1ccc(Oc2cc(Cl)cc(Cl)c2)o1)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020432011 553648338 /nfs/dbraw/zinc/64/83/38/553648338.db2.gz KFPJANMPCRDZLX-UHFFFAOYSA-N 1 1 505.401 6.907 50 0 KKAAMO c1ccc(-c2oc3ncn4nc(CC[N@H+]5CCCC[C@@H]5c5cccnc5)nc4c3c2-c2ccccc2)cc1 ZINC000020437264 553648673 /nfs/dbraw/zinc/64/86/73/553648673.db2.gz VMUNPUZYQPNZMA-RUZDIDTESA-N 1 1 500.606 6.369 50 0 KKAAMO C[C@H](CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000079188145 553666749 /nfs/dbraw/zinc/66/67/49/553666749.db2.gz YHXWXURQSKRCHA-OQTDKZANSA-N 1 1 626.926 7.327 50 0 biogenic KKAAMO C[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(Cc4ccccc4)c(=O)c23)C1 ZINC000020033078 553666847 /nfs/dbraw/zinc/66/68/47/553666847.db2.gz GHMIHIPXCUYCBE-UHFFFAOYSA-N 1 1 502.492 6.093 50 0 KKAAMO C[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(Cc4ccccc4)c(=O)c23)C1 ZINC000020033078 553666849 /nfs/dbraw/zinc/66/68/49/553666849.db2.gz GHMIHIPXCUYCBE-UHFFFAOYSA-N 1 1 502.492 6.093 50 0 KKAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508481 553668051 /nfs/dbraw/zinc/66/80/51/553668051.db2.gz XOMYJDZULCAASN-FQLXRVMXSA-N 1 1 530.738 5.461 50 0 KKAAMO COc1ccc2c(C)c(CCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)oc2c1C ZINC000020592340 553676991 /nfs/dbraw/zinc/67/69/91/553676991.db2.gz DIQHTXDVUVJZAA-UHFFFAOYSA-N 1 1 510.634 5.285 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(C(C)C)n2-c2cccc(C(F)(F)F)c2)CC1 ZINC000085405198 553679745 /nfs/dbraw/zinc/67/97/45/553679745.db2.gz RJODYOUXCSTLBF-UHFFFAOYSA-N 1 1 517.621 5.480 50 0 KKAAMO COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)N(C)CC4)cc1OC ZINC000085540998 553683152 /nfs/dbraw/zinc/68/31/52/553683152.db2.gz ZCTJIMXXSXQXRI-XZWHSSHBSA-N 1 1 696.841 7.063 50 0 biogenic,in-vitro KKAAMO COc1ccc(-n2ncc3c2ncnc3N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000020646436 553685239 /nfs/dbraw/zinc/68/52/39/553685239.db2.gz MMUQYUAKOMZURV-MHZLTWQESA-N 1 1 511.029 5.389 50 0 KKAAMO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@]12c1ccccc1N(Cc1cccc(Cl)c1)C2=O ZINC000020684839 553688587 /nfs/dbraw/zinc/68/85/87/553688587.db2.gz IFUCFNDIDHCYIO-NUAIVLOPSA-N 1 1 525.023 6.450 50 0 KKAAMO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@]12c1ccccc1N(Cc1cccc(Cl)c1)C2=O ZINC000020684839 553688591 /nfs/dbraw/zinc/68/85/91/553688591.db2.gz IFUCFNDIDHCYIO-NUAIVLOPSA-N 1 1 525.023 6.450 50 0 KKAAMO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000020684828 553688643 /nfs/dbraw/zinc/68/86/43/553688643.db2.gz YPZPBBXTFUQNMT-ISXOHIFFSA-N 1 1 525.023 6.450 50 0 KKAAMO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000020684828 553688644 /nfs/dbraw/zinc/68/86/44/553688644.db2.gz YPZPBBXTFUQNMT-ISXOHIFFSA-N 1 1 525.023 6.450 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732214 553692132 /nfs/dbraw/zinc/69/21/32/553692132.db2.gz UKQBCVZZAFLBIC-KWLUCORDSA-N 1 1 537.704 6.346 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(O)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C2)CCN1C ZINC000085977441 553692494 /nfs/dbraw/zinc/69/24/94/553692494.db2.gz QAFGBLDGRLFICB-URLMMPGGSA-N 1 1 638.761 6.868 50 0 KKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020736269 553693782 /nfs/dbraw/zinc/69/37/82/553693782.db2.gz GOPSKIDWPPBPST-YNAQZEJMSA-N 1 1 515.654 5.720 50 0 KKAAMO C[NH+]1CCN(C(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000020736707 553693978 /nfs/dbraw/zinc/69/39/78/553693978.db2.gz BCQINPXEIYYQCM-NLRVBDNBSA-N 1 1 504.055 5.408 50 0 KKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1cccc(C)c1)S2)C1CCCCC1 ZINC000020737455 553694283 /nfs/dbraw/zinc/69/42/83/553694283.db2.gz QQOCHDNESPNGCQ-FUFPDLRRSA-N 1 1 505.728 6.268 50 0 KKAAMO Fc1ccccc1[C@@H](c1nnc(-c2ccccc2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020988791 553705422 /nfs/dbraw/zinc/70/54/22/553705422.db2.gz ZCGCXOWXYWPMDY-PMERELPUSA-N 1 1 504.609 6.372 50 0 KKAAMO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000021163063 553709256 /nfs/dbraw/zinc/70/92/56/553709256.db2.gz UGIDXKZGWWFRHR-PLQXJYEYSA-N 1 1 501.719 5.379 50 0 KKAAMO COc1cccc(/C=C/C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)c1 ZINC000021525746 553710472 /nfs/dbraw/zinc/71/04/72/553710472.db2.gz DTQJMUWWWVGBCL-FOCLMDBBSA-N 1 1 515.617 5.458 50 0 KKAAMO COc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)CC2)cc1 ZINC000021796392 553716722 /nfs/dbraw/zinc/71/67/22/553716722.db2.gz WFJODBBNRNMADD-UHFFFAOYSA-N 1 1 524.024 5.712 50 0 KKAAMO Cc1cccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)c1 ZINC000021796375 553716751 /nfs/dbraw/zinc/71/67/51/553716751.db2.gz SVYMFDVODHLOQN-UHFFFAOYSA-N 1 1 503.606 5.124 50 0 KKAAMO O=C(COc1ccc(Cl)cc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021796383 553716823 /nfs/dbraw/zinc/71/68/23/553716823.db2.gz HVOGRXYMVXCROQ-UHFFFAOYSA-N 1 1 524.024 5.469 50 0 KKAAMO O=C(c1ccccc1Cl)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796455 553717067 /nfs/dbraw/zinc/71/70/67/553717067.db2.gz PHXPPENFJKCSHA-UHFFFAOYSA-N 1 1 511.988 5.842 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)C4CCC4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000096277314 553733963 /nfs/dbraw/zinc/73/39/63/553733963.db2.gz VRNBKEYVFCGLRF-UHFFFAOYSA-N 1 1 500.687 5.503 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000096277087 553733994 /nfs/dbraw/zinc/73/39/94/553733994.db2.gz MKGGRVDCPOTFPM-MHZLTWQESA-N 1 1 511.666 5.452 50 0 KKAAMO Cc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)Cc5ccc(F)cc5)CC4)n3c2)c1 ZINC000096288293 553739462 /nfs/dbraw/zinc/73/94/62/553739462.db2.gz VLTSQYBMRMOCEE-UHFFFAOYSA-N 1 1 518.636 6.003 50 0 KKAAMO Cc1ccc(-c2nnc(SCc3ccccc3C(=O)N3CC[NH+](C)CC3)n2-c2ccccc2F)cc1 ZINC000096289863 553742340 /nfs/dbraw/zinc/74/23/40/553742340.db2.gz AWUFADQSNIAUGJ-UHFFFAOYSA-N 1 1 501.631 5.062 50 0 KKAAMO CCC[C@@H](C(=O)N1CC[NH+](CC)CC1)n1c2cc(Cl)c(Cl)cc2nc1Cc1ccccc1Cl ZINC000096291263 553745016 /nfs/dbraw/zinc/74/50/16/553745016.db2.gz UYDDWIYRVRTBGD-QFIPXVFZSA-N 1 1 507.893 6.093 50 0 KKAAMO CCOC(=O)[C@@H]1C[C@H]1C[NH+]1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659970 553748751 /nfs/dbraw/zinc/74/87/51/553748751.db2.gz YJVBXGFMMSQTKM-WIOPSUGQSA-N 1 1 505.486 5.306 50 0 KKAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000023129028 553770725 /nfs/dbraw/zinc/77/07/25/553770725.db2.gz ZWJYVWCSDUACGV-BHBYDHKZSA-N 1 1 534.144 5.230 50 0 KKAAMO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCOCC1)N1CCC2(C=Cc3ccccc32)CC1 ZINC000023129028 553770726 /nfs/dbraw/zinc/77/07/26/553770726.db2.gz ZWJYVWCSDUACGV-BHBYDHKZSA-N 1 1 534.144 5.230 50 0 KKAAMO C[C@@H](Oc1ccccc1)C(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023425750 553775068 /nfs/dbraw/zinc/77/50/68/553775068.db2.gz JLMXKCPGZHDDGS-JOCHJYFZSA-N 1 1 527.492 6.101 50 0 KKAAMO COc1ccccc1NC(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023432654 553775905 /nfs/dbraw/zinc/77/59/05/553775905.db2.gz UOAADCDJVUSSRG-UHFFFAOYSA-N 1 1 528.480 6.348 50 0 KKAAMO COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c(Cl)c3N2)cc1OC ZINC000097949074 553799094 /nfs/dbraw/zinc/79/90/94/553799094.db2.gz OXCBLIRISASFDZ-SHQCIBLASA-N 1 1 640.106 6.761 50 0 KKAAMO c1ccc(Oc2ccc(-c3nc4ccccc4c(N4CC[NH+](Cc5ccc6c(c5)OCO6)CC4)n3)cc2)cc1 ZINC000025163431 553803507 /nfs/dbraw/zinc/80/35/07/553803507.db2.gz XSZWCFLMHZYJLH-UHFFFAOYSA-N 1 1 516.601 6.140 50 0 KKAAMO COc1ccc(-n2cc(C(=O)NCCC[N@@H+](Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@@H]3C)c3ccccc3c2=O)cc1 ZINC000029748084 553849555 /nfs/dbraw/zinc/84/95/55/553849555.db2.gz HWHJDXUHNMMLSZ-ULPIOCOXSA-N 1 1 541.692 6.039 50 0 KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@H+](C(C)C)C3)cc1 ZINC000097963418 553889832 /nfs/dbraw/zinc/88/98/32/553889832.db2.gz ZUBMEBUMRAVCFA-UHFFFAOYSA-N 1 1 563.786 5.535 50 0 KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@@H+](C(C)C)C3)cc1 ZINC000097963418 553889834 /nfs/dbraw/zinc/88/98/34/553889834.db2.gz ZUBMEBUMRAVCFA-UHFFFAOYSA-N 1 1 563.786 5.535 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963438 553890023 /nfs/dbraw/zinc/89/00/23/553890023.db2.gz GHHBEVKIOHSHRK-UHFFFAOYSA-N 1 1 594.828 6.608 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963433 553890199 /nfs/dbraw/zinc/89/01/99/553890199.db2.gz UBPVCQDCMZGWDY-OYRHEFFESA-N 1 1 608.855 6.710 50 0 KKAAMO COc1ccc(C=CC(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](Cc3ccccc3)C5)cc2)cc1 ZINC000097964032 553895928 /nfs/dbraw/zinc/89/59/28/553895928.db2.gz ZWKGREMUMUCLQZ-DTYQJANHSA-N 1 1 551.668 6.363 50 0 KKAAMO COc1ccc(C=CC(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](Cc3ccccc3)C5)cc2)cc1 ZINC000097964032 553895931 /nfs/dbraw/zinc/89/59/31/553895931.db2.gz ZWKGREMUMUCLQZ-DTYQJANHSA-N 1 1 551.668 6.363 50 0 KKAAMO CCOc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3c(-c4ccc(OC)cc4)csc3n2)cc1 ZINC000033268847 553919481 /nfs/dbraw/zinc/91/94/81/553919481.db2.gz ZIRVJEGXXYYCGJ-UHFFFAOYSA-N 1 1 511.647 6.033 50 0 KKAAMO CCOc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3c(-c4ccc(OC)cc4)csc3n2)cc1 ZINC000033268847 553919484 /nfs/dbraw/zinc/91/94/84/553919484.db2.gz ZIRVJEGXXYYCGJ-UHFFFAOYSA-N 1 1 511.647 6.033 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccccc1Br)C3=O ZINC000033355705 553936429 /nfs/dbraw/zinc/93/64/29/553936429.db2.gz LKQVHROZTSZOMJ-WPHQEQLXSA-N 1 1 595.582 5.311 50 0 KKAAMO COc1ccc(-n2ncc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000033355772 553936904 /nfs/dbraw/zinc/93/69/04/553936904.db2.gz WIJOZENIGYMMPC-UHFFFAOYSA-N 1 1 573.738 5.174 50 0 KKAAMO CCOC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)c1 ZINC000033356777 553944506 /nfs/dbraw/zinc/94/45/06/553944506.db2.gz CIPFWMDWYHBFSF-HHHXNRCGSA-N 1 1 561.107 6.494 50 0 KKAAMO CCOC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)c1 ZINC000033356777 553944511 /nfs/dbraw/zinc/94/45/11/553944511.db2.gz CIPFWMDWYHBFSF-HHHXNRCGSA-N 1 1 561.107 6.494 50 0 KKAAMO COc1ccccc1[C@H]1CC(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)=NN1C(=O)C[NH+]1CCCCC1 ZINC000097977179 553974678 /nfs/dbraw/zinc/97/46/78/553974678.db2.gz ADZDGAOMBSAQQX-HHHXNRCGSA-N 1 1 555.078 6.021 50 0 KKAAMO COc1cc(C[N@H+]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034669909 553982247 /nfs/dbraw/zinc/98/22/47/553982247.db2.gz GQFCRXRYAJLBCZ-WNCULLNHSA-N 1 1 512.572 5.992 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671776 553982324 /nfs/dbraw/zinc/98/23/24/553982324.db2.gz NUKYPGXWXORPRV-HEVIKAOCSA-N 1 1 518.701 6.925 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671619 553982543 /nfs/dbraw/zinc/98/25/43/553982543.db2.gz AXSHSLGNMFARCU-JHOUSYSJSA-N 1 1 519.689 6.054 50 0 KKAAMO COc1ccc(N(C(=O)c2ccccc2)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1OC ZINC000034683254 553985579 /nfs/dbraw/zinc/98/55/79/553985579.db2.gz PLBIXALEZDGOBP-UHFFFAOYSA-N 1 1 520.626 5.041 50 0 KKAAMO COc1ccc(C(=O)N(c2cccc(OC)c2)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000034683445 553985879 /nfs/dbraw/zinc/98/58/79/553985879.db2.gz MTQWIKCKQSDBOO-UHFFFAOYSA-N 1 1 520.626 5.041 50 0 KKAAMO COc1ccc(N(C2CC[NH+](Cc3ccccc3Cl)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000034683735 553985904 /nfs/dbraw/zinc/98/59/04/553985904.db2.gz HVMZTHBNSMXTTO-UHFFFAOYSA-N 1 1 501.048 5.217 50 0 KKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000034683955 553986661 /nfs/dbraw/zinc/98/66/61/553986661.db2.gz PSYNAAKPJHFMDL-UHFFFAOYSA-N 1 1 524.683 5.189 50 0 KKAAMO Cc1ccc(N(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000034683963 553986668 /nfs/dbraw/zinc/98/66/68/553986668.db2.gz RUFIQTZCSRVZGR-UHFFFAOYSA-N 1 1 502.602 6.182 50 0 KKAAMO O=C(NCC1CC1)c1coc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)n1 ZINC000034685553 553987006 /nfs/dbraw/zinc/98/70/06/553987006.db2.gz FPBLWEVZFVBPHM-SSEXGKCCSA-N 1 1 511.597 5.680 50 0 KKAAMO O=C(NCC1CC1)c1coc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)n1 ZINC000034685553 553987008 /nfs/dbraw/zinc/98/70/08/553987008.db2.gz FPBLWEVZFVBPHM-SSEXGKCCSA-N 1 1 511.597 5.680 50 0 KKAAMO COc1cc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3F)[C@@H](c3ccccc3)C2)cc(OC)c1 ZINC000034698964 553991949 /nfs/dbraw/zinc/99/19/49/553991949.db2.gz ZXOFJOFVHPIAAQ-ABYGYWHVSA-N 1 1 504.646 5.857 50 0 KKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699156 553992479 /nfs/dbraw/zinc/99/24/79/553992479.db2.gz BANXZYFKGPGFNK-BKMJKUGQSA-N 1 1 501.568 5.949 50 0 KKAAMO Cc1cc([C@@H]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716674 553995563 /nfs/dbraw/zinc/99/55/63/553995563.db2.gz VPGIDMQPCKRJFS-PKTZIBPZSA-N 1 1 518.982 6.728 50 0 KKAAMO Cc1cc([C@@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716780 553995606 /nfs/dbraw/zinc/99/56/06/553995606.db2.gz QOWNPVISDLPHGN-IZLXSDGUSA-N 1 1 503.637 5.223 50 0 KKAAMO CC(C)c1ccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)cc4F)c3C2)cc1 ZINC000034757291 554000234 /nfs/dbraw/zinc/00/02/34/554000234.db2.gz AJNMGEVWSURITO-UHFFFAOYSA-N 1 1 522.600 5.013 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034787825 554005448 /nfs/dbraw/zinc/00/54/48/554005448.db2.gz RPVZDCYBNAKNHH-PMERELPUSA-N 1 1 515.723 5.331 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034787825 554005446 /nfs/dbraw/zinc/00/54/46/554005446.db2.gz RPVZDCYBNAKNHH-PMERELPUSA-N 1 1 515.723 5.331 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000034829753 554012608 /nfs/dbraw/zinc/01/26/08/554012608.db2.gz JWQYFHKDUTVCAY-DJUQAAIZSA-N 1 1 529.750 5.675 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000034829753 554012611 /nfs/dbraw/zinc/01/26/11/554012611.db2.gz JWQYFHKDUTVCAY-DJUQAAIZSA-N 1 1 529.750 5.675 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000034829714 554012633 /nfs/dbraw/zinc/01/26/33/554012633.db2.gz GIALBAPEFMMVAR-NFQMXDRXSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000034829714 554012636 /nfs/dbraw/zinc/01/26/36/554012636.db2.gz GIALBAPEFMMVAR-NFQMXDRXSA-N 1 1 508.087 5.031 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034830121 554014320 /nfs/dbraw/zinc/01/43/20/554014320.db2.gz MGLFGDLKKIEGCG-XJFCNFDWSA-N 1 1 529.750 5.801 50 0 KKAAMO CC[C@@H](C(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830249 554014887 /nfs/dbraw/zinc/01/48/87/554014887.db2.gz IYXQGTVXRXKXOE-NEEKEDPPSA-N 1 1 529.750 5.649 50 0 KKAAMO CCN1CCN(c2c(C[N@@H+](Cc3ccc(C(C)C)cc3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836376 554020524 /nfs/dbraw/zinc/02/05/24/554020524.db2.gz VFRUBCBEVOFWPN-UHFFFAOYSA-N 1 1 505.726 6.243 50 0 KKAAMO CCN1CCN(c2c(C[N@H+](Cc3ccc(C(C)C)cc3)CC(C)C)c(C)nn2-c2ccc(F)cc2)CC1 ZINC000034836376 554020528 /nfs/dbraw/zinc/02/05/28/554020528.db2.gz VFRUBCBEVOFWPN-UHFFFAOYSA-N 1 1 505.726 6.243 50 0 KKAAMO COc1cc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000097985317 554022822 /nfs/dbraw/zinc/02/28/22/554022822.db2.gz LRTSRDOEXNJAEM-UHSQPCAPSA-N 1 1 635.687 6.117 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2)CC[N@@H+](C)C4)cc1 ZINC000035427116 554050586 /nfs/dbraw/zinc/05/05/86/554050586.db2.gz QOXPWXGKLAGQRM-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2)CC[N@H+](C)C4)cc1 ZINC000035427116 554050582 /nfs/dbraw/zinc/05/05/82/554050582.db2.gz QOXPWXGKLAGQRM-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NCCc2ccccc2)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427229 554050965 /nfs/dbraw/zinc/05/09/65/554050965.db2.gz FNHGSBMACSMYMR-HHHXNRCGSA-N 1 1 517.098 6.037 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NCCc2ccccc2)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427229 554050968 /nfs/dbraw/zinc/05/09/68/554050968.db2.gz FNHGSBMACSMYMR-HHHXNRCGSA-N 1 1 517.098 6.037 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2F)CC[N@@H+](C)C4)cc1 ZINC000035427190 554051038 /nfs/dbraw/zinc/05/10/38/554051038.db2.gz CYQXFNNLZDISAG-AREMUKBSSA-N 1 1 520.605 5.951 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2F)CC[N@H+](C)C4)cc1 ZINC000035427190 554051035 /nfs/dbraw/zinc/05/10/35/554051035.db2.gz CYQXFNNLZDISAG-AREMUKBSSA-N 1 1 520.605 5.951 50 0 KKAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427204 554051147 /nfs/dbraw/zinc/05/11/47/554051147.db2.gz UJMGFRNBQMFJMP-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427204 554051144 /nfs/dbraw/zinc/05/11/44/554051144.db2.gz UJMGFRNBQMFJMP-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(F)c2)CC[N@H+](C)C4)cc1 ZINC000035427198 554051194 /nfs/dbraw/zinc/05/11/94/554051194.db2.gz AGAHGYUNVNUEMA-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(F)c2)CC[N@@H+](C)C4)cc1 ZINC000035427198 554051199 /nfs/dbraw/zinc/05/11/99/554051199.db2.gz AGAHGYUNVNUEMA-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(C)c2)CC[N@H+](C)C4)c1 ZINC000035427301 554052007 /nfs/dbraw/zinc/05/20/07/554052007.db2.gz LQUULBBJPBUMOK-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(C)c2)CC[N@@H+](C)C4)c1 ZINC000035427301 554052010 /nfs/dbraw/zinc/05/20/10/554052010.db2.gz LQUULBBJPBUMOK-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@@H+](C)CC4)c1 ZINC000035427380 554052374 /nfs/dbraw/zinc/05/23/74/554052374.db2.gz BRAGPMZKCDMPBI-MHZLTWQESA-N 1 1 514.651 5.681 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@H+](C)CC4)c1 ZINC000035427380 554052376 /nfs/dbraw/zinc/05/23/76/554052376.db2.gz BRAGPMZKCDMPBI-MHZLTWQESA-N 1 1 514.651 5.681 50 0 KKAAMO CCc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)N1CC[NH+](CC)CC1)C(=O)CS[C@@H]2c1ccc(OC)cc1 ZINC000098010855 554075236 /nfs/dbraw/zinc/07/52/36/554075236.db2.gz YQMNRBYDUAGIBG-SSEXGKCCSA-N 1 1 589.806 5.074 50 0 KKAAMO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)(C)CO ZINC000035842657 554081150 /nfs/dbraw/zinc/08/11/50/554081150.db2.gz LYLOPIVBZOZREF-UHFFFAOYSA-N 1 1 507.719 5.146 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)C(C)C ZINC000035842591 554081233 /nfs/dbraw/zinc/08/12/33/554081233.db2.gz OWCCRSJRXLJGMQ-PMERELPUSA-N 1 1 505.747 6.012 50 0 KKAAMO CC(C)OC[C@@H](O)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842639 554081323 /nfs/dbraw/zinc/08/13/23/554081323.db2.gz BPNXIFHZGWCPJN-NDEPHWFRSA-N 1 1 521.746 5.533 50 0 KKAAMO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccc(OC)cc1 ZINC000035842724 554081637 /nfs/dbraw/zinc/08/16/37/554081637.db2.gz LYQXNMWZAJLTOJ-UHFFFAOYSA-N 1 1 534.100 5.940 50 0 KKAAMO CC(C)[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1 ZINC000035843673 554082109 /nfs/dbraw/zinc/08/21/09/554082109.db2.gz ODRMDVXVPANQFL-UHFFFAOYSA-N 1 1 526.483 7.096 50 0 KKAAMO Cc1ccccc1C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000035843685 554082319 /nfs/dbraw/zinc/08/23/19/554082319.db2.gz QXOIARICWCWDDU-UHFFFAOYSA-N 1 1 520.504 7.019 50 0 KKAAMO O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871394 554085698 /nfs/dbraw/zinc/08/56/98/554085698.db2.gz GIMKUDMQJZCYDI-AOYPEHQESA-N 1 1 513.991 5.538 50 0 KKAAMO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)CC1 ZINC000098043737 554128551 /nfs/dbraw/zinc/12/85/51/554128551.db2.gz IFUTVBBIKMJMLR-RPBOFIJWSA-N 1 1 769.376 7.230 50 0 KKAAMO CC[C@@H](NC(=O)c1ccc(OC)cc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048280 554154123 /nfs/dbraw/zinc/15/41/23/554154123.db2.gz TVKFHZYFXNNXIB-UHSQPCAPSA-N 1 1 504.627 5.029 50 0 KKAAMO CC[C@@H](NC(=O)c1ccc(OC)cc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048280 554154119 /nfs/dbraw/zinc/15/41/19/554154119.db2.gz TVKFHZYFXNNXIB-UHSQPCAPSA-N 1 1 504.627 5.029 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000036067304 554165519 /nfs/dbraw/zinc/16/55/19/554165519.db2.gz QVFDTSQHELWKNC-ZDECTKFTSA-N 1 1 507.763 5.680 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146749 554198165 /nfs/dbraw/zinc/19/81/65/554198165.db2.gz MIZTXTUWYORWFL-PKTZIBPZSA-N 1 1 517.428 5.876 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146749 554198168 /nfs/dbraw/zinc/19/81/68/554198168.db2.gz MIZTXTUWYORWFL-PKTZIBPZSA-N 1 1 517.428 5.876 50 0 KKAAMO COCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccc(OC)c1 ZINC000036156150 554198683 /nfs/dbraw/zinc/19/86/83/554198683.db2.gz CLAGMHCAUWGEMP-UHFFFAOYSA-N 1 1 517.622 5.238 50 0 KKAAMO COCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccc(OC)c1 ZINC000036156150 554198685 /nfs/dbraw/zinc/19/86/85/554198685.db2.gz CLAGMHCAUWGEMP-UHFFFAOYSA-N 1 1 517.622 5.238 50 0 KKAAMO COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000100065348 554199553 /nfs/dbraw/zinc/19/95/53/554199553.db2.gz ONYKOVWHVPMPEP-XCZPVHLTSA-N 1 1 565.501 5.494 50 0 KKAAMO COCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccccc1C ZINC000036203145 554201226 /nfs/dbraw/zinc/20/12/26/554201226.db2.gz DULUXXOFYOHGIY-UHFFFAOYSA-N 1 1 501.623 5.538 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)CC(C)C ZINC000036207762 554202757 /nfs/dbraw/zinc/20/27/57/554202757.db2.gz ZPILKFMJHRQWNH-NRFANRHFSA-N 1 1 512.075 5.511 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)CC(C)C ZINC000036207762 554202754 /nfs/dbraw/zinc/20/27/54/554202754.db2.gz ZPILKFMJHRQWNH-NRFANRHFSA-N 1 1 512.075 5.511 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000036208037 554203011 /nfs/dbraw/zinc/20/30/11/554203011.db2.gz YWGYKJYUCFXMNB-ZMAXYJRFSA-N 1 1 520.629 5.957 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000036208037 554203009 /nfs/dbraw/zinc/20/30/09/554203009.db2.gz YWGYKJYUCFXMNB-ZMAXYJRFSA-N 1 1 520.629 5.957 50 0 KKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036301767 554211755 /nfs/dbraw/zinc/21/17/55/554211755.db2.gz PVGUROUOJQAYPD-RUZDIDTESA-N 1 1 504.030 6.031 50 0 KKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036301767 554211761 /nfs/dbraw/zinc/21/17/61/554211761.db2.gz PVGUROUOJQAYPD-RUZDIDTESA-N 1 1 504.030 6.031 50 0 KKAAMO CCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036302214 554211846 /nfs/dbraw/zinc/21/18/46/554211846.db2.gz RFKOKGYSUKYGQU-AREMUKBSSA-N 1 1 503.618 6.284 50 0 KKAAMO CCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036302214 554211841 /nfs/dbraw/zinc/21/18/41/554211841.db2.gz RFKOKGYSUKYGQU-AREMUKBSSA-N 1 1 503.618 6.284 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000036303167 554212874 /nfs/dbraw/zinc/21/28/74/554212874.db2.gz XXEBEZWRQFUMQS-BJKOFHAPSA-N 1 1 511.638 5.133 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000036303167 554212876 /nfs/dbraw/zinc/21/28/76/554212876.db2.gz XXEBEZWRQFUMQS-BJKOFHAPSA-N 1 1 511.638 5.133 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000036303146 554212914 /nfs/dbraw/zinc/21/29/14/554212914.db2.gz REDLDERBUNLCIL-SANMLTNESA-N 1 1 515.629 5.908 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000036303146 554212911 /nfs/dbraw/zinc/21/29/11/554212911.db2.gz REDLDERBUNLCIL-SANMLTNESA-N 1 1 515.629 5.908 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CCOC)C[C@H](O)Cc1ccccc1 ZINC000036303278 554213328 /nfs/dbraw/zinc/21/33/28/554213328.db2.gz QROAKVGRYUFEKG-AREMUKBSSA-N 1 1 503.618 5.418 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CCOC)C[C@H](O)Cc1ccccc1 ZINC000036303278 554213325 /nfs/dbraw/zinc/21/33/25/554213325.db2.gz QROAKVGRYUFEKG-AREMUKBSSA-N 1 1 503.618 5.418 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000036304235 554214294 /nfs/dbraw/zinc/21/42/94/554214294.db2.gz VNPGJEJJZUPQCE-ZEQRLZLVSA-N 1 1 529.628 5.408 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000036304235 554214291 /nfs/dbraw/zinc/21/42/91/554214291.db2.gz VNPGJEJJZUPQCE-ZEQRLZLVSA-N 1 1 529.628 5.408 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000036304211 554214347 /nfs/dbraw/zinc/21/43/47/554214347.db2.gz XRCKDGJZNFKXAW-BJKOFHAPSA-N 1 1 515.601 5.018 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000036304211 554214349 /nfs/dbraw/zinc/21/43/49/554214349.db2.gz XRCKDGJZNFKXAW-BJKOFHAPSA-N 1 1 515.601 5.018 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COC(C)(C)C ZINC000036305098 554214983 /nfs/dbraw/zinc/21/49/83/554214983.db2.gz ZRYDXWWGXNPSPI-QFIPXVFZSA-N 1 1 502.055 5.157 50 0 KKAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COCc3ccccc3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306546 554215777 /nfs/dbraw/zinc/21/57/77/554215777.db2.gz NNGGGJMAAREVFY-MUUNZHRXSA-N 1 1 511.666 5.978 50 0 KKAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036307000 554215821 /nfs/dbraw/zinc/21/58/21/554215821.db2.gz OCZRNDPTUBLPOA-XMMPIXPASA-N 1 1 507.606 5.647 50 0 KKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307239 554215810 /nfs/dbraw/zinc/21/58/10/554215810.db2.gz WPDHQPMIUOUXAW-RSXGOPAZSA-N 1 1 511.638 5.033 50 0 KKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036307000 554215818 /nfs/dbraw/zinc/21/58/18/554215818.db2.gz OCZRNDPTUBLPOA-XMMPIXPASA-N 1 1 507.606 5.647 50 0 KKAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308184 554216643 /nfs/dbraw/zinc/21/66/43/554216643.db2.gz DYWSZASYGXGSNS-QHCPKHFHSA-N 1 1 503.599 5.179 50 0 KKAAMO CCCC(=O)OC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308184 554216647 /nfs/dbraw/zinc/21/66/47/554216647.db2.gz DYWSZASYGXGSNS-QHCPKHFHSA-N 1 1 503.599 5.179 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@H](O)COCc2ccccc2)c1Oc1ccccc1 ZINC000036308109 554216799 /nfs/dbraw/zinc/21/67/99/554216799.db2.gz XXTHOWNVJSXDMC-MHZLTWQESA-N 1 1 523.633 6.052 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccccc2)c1Oc1ccccc1 ZINC000036308109 554216794 /nfs/dbraw/zinc/21/67/94/554216794.db2.gz XXTHOWNVJSXDMC-MHZLTWQESA-N 1 1 523.633 6.052 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036313902 554219307 /nfs/dbraw/zinc/21/93/07/554219307.db2.gz SMDDWHJQJCJJKN-DQEYMECFSA-N 1 1 529.628 5.410 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036313902 554219312 /nfs/dbraw/zinc/21/93/12/554219312.db2.gz SMDDWHJQJCJJKN-DQEYMECFSA-N 1 1 529.628 5.410 50 0 KKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316106 554219618 /nfs/dbraw/zinc/21/96/18/554219618.db2.gz MDWHXRRIHVFINP-QHCPKHFHSA-N 1 1 501.618 5.649 50 0 KKAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036341736 554221272 /nfs/dbraw/zinc/22/12/72/554221272.db2.gz IBPVBDSXOFVNJP-GDLZYMKVSA-N 1 1 515.629 5.475 50 0 KKAAMO CCOc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344010 554222331 /nfs/dbraw/zinc/22/23/31/554222331.db2.gz GKBDGFFOMZQSAY-LJAQVGFWSA-N 1 1 517.073 5.234 50 0 KKAAMO Cc1ccc(C)c([C@@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036344550 554223291 /nfs/dbraw/zinc/22/32/91/554223291.db2.gz NCDCVTVZBHOORD-LJAQVGFWSA-N 1 1 501.074 5.452 50 0 KKAAMO O=C(c1ccccc1F)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000036628459 554228842 /nfs/dbraw/zinc/22/88/42/554228842.db2.gz NQTIONFWXHWWJF-UHFFFAOYSA-N 1 1 511.988 5.842 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccc(C)cc4)n3Cc3ccccc3)cc2)CC1 ZINC000037398804 554241119 /nfs/dbraw/zinc/24/11/19/554241119.db2.gz DXJRHHLWPLFRLH-UHFFFAOYSA-N 1 1 511.695 5.372 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037523999 554250122 /nfs/dbraw/zinc/25/01/22/554250122.db2.gz CKYFFCMWEQOLFE-RPLLCQBOSA-N 1 1 530.581 6.998 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000037524007 554250102 /nfs/dbraw/zinc/25/01/02/554250102.db2.gz VARBROKZCAHOAP-LITSAYRRSA-N 1 1 526.618 7.167 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)cc1 ZINC000037524154 554250365 /nfs/dbraw/zinc/25/03/65/554250365.db2.gz SAVYTGWDLKJHKL-XRKRLSELSA-N 1 1 508.628 7.028 50 0 KKAAMO COc1cc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000037572238 554251987 /nfs/dbraw/zinc/25/19/87/554251987.db2.gz ILACJRJTSCKBHJ-UHFFFAOYSA-N 1 1 519.038 5.356 50 0 KKAAMO CS(=O)(=O)CC[NH2+]Cc1nc(-c2ccc3ncnc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)c3c2)cs1 ZINC000038145818 554268102 /nfs/dbraw/zinc/26/81/02/554268102.db2.gz MNNXRVSQOABRRP-UHFFFAOYSA-N 1 1 598.125 6.003 50 0 in-vitro KKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000041098030 554294835 /nfs/dbraw/zinc/29/48/35/554294835.db2.gz ZEQQCVPCLDJJGY-UHFFFAOYSA-N 1 1 503.606 5.447 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccccc3)CC2)cc1 ZINC000046853907 554320933 /nfs/dbraw/zinc/32/09/33/554320933.db2.gz IMFCOTHFIUTNFR-UHFFFAOYSA-N 1 1 533.632 5.214 50 0 KKAAMO COc1ccccc1OCC[N@@H+](C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)C[C@H](O)COc1cccc2[nH]c3ccccc3c21 ZINC000049722695 554324675 /nfs/dbraw/zinc/32/46/75/554324675.db2.gz JRLQBMKMDMZBGW-MKPDMIMOSA-N 1 1 645.756 6.525 50 0 in-vitro KKAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)NC1CCCCCCC1 ZINC000055165949 554350151 /nfs/dbraw/zinc/35/01/51/554350151.db2.gz JMCVPETYZMIEMH-UHFFFAOYSA-N 1 1 513.686 5.074 50 0 KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@@H+](CC)C3)cc1 ZINC000100819429 554479013 /nfs/dbraw/zinc/47/90/13/554479013.db2.gz QPCLSEZDLOQEML-UHFFFAOYSA-N 1 1 549.759 5.146 50 0 KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[N@H+](CC)C3)cc1 ZINC000100819429 554479014 /nfs/dbraw/zinc/47/90/14/554479014.db2.gz QPCLSEZDLOQEML-UHFFFAOYSA-N 1 1 549.759 5.146 50 0 KKAAMO Brc1ccc(-c2nnc3sc(CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cn32)cc1 ZINC000100824069 554481719 /nfs/dbraw/zinc/48/17/19/554481719.db2.gz GFZXHAYFHSUNGC-UHFFFAOYSA-N 1 1 544.522 6.128 50 0 KKAAMO C/C(=C\c1ccccc1)C[N@@H+]1C[C@@H](Sc2ncccn2)C[C@H]1C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000100913494 554518871 /nfs/dbraw/zinc/51/88/71/554518871.db2.gz IXCPKSDQKQNRLY-PVCXFWGESA-N 1 1 547.728 6.596 50 0 KKAAMO C/C(=C\c1ccccc1)C[N@H+]1C[C@@H](Sc2ncccn2)C[C@H]1C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000100913494 554518874 /nfs/dbraw/zinc/51/88/74/554518874.db2.gz IXCPKSDQKQNRLY-PVCXFWGESA-N 1 1 547.728 6.596 50 0 KKAAMO C[C@H](CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000066099623 554528229 /nfs/dbraw/zinc/52/82/29/554528229.db2.gz BIVSVAQJIFJHIC-LTWRQENSSA-N 1 1 550.828 5.738 50 0 biogenic KKAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000101064444 554571683 /nfs/dbraw/zinc/57/16/83/554571683.db2.gz JLEJNNHBBFNPSP-LZEUDMGESA-N 1 1 556.460 5.081 50 0 KKAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000101113801 554642589 /nfs/dbraw/zinc/64/25/89/554642589.db2.gz OJSORSDFJUDVBX-UHFFFAOYSA-N 1 1 526.983 6.358 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101182222 554667743 /nfs/dbraw/zinc/66/77/43/554667743.db2.gz UYLTVABUSBFZQN-CRNKYVSFSA-N 1 1 515.569 5.003 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101182222 554667745 /nfs/dbraw/zinc/66/77/45/554667745.db2.gz UYLTVABUSBFZQN-CRNKYVSFSA-N 1 1 515.569 5.003 50 0 KKAAMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000101189531 554670277 /nfs/dbraw/zinc/67/02/77/554670277.db2.gz BIZKLZOGPYWNFG-JHOUSYSJSA-N 1 1 561.682 5.534 50 0 KKAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202370 554672939 /nfs/dbraw/zinc/67/29/39/554672939.db2.gz PKPVAUJGGSQOMJ-AXGKCNHXSA-N 1 1 625.597 5.054 50 0 biogenic KKAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202375 554672949 /nfs/dbraw/zinc/67/29/49/554672949.db2.gz PKPVAUJGGSQOMJ-BIRRFFDLSA-N 1 1 625.597 5.054 50 0 biogenic KKAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202836 554673265 /nfs/dbraw/zinc/67/32/65/554673265.db2.gz KBLHILREQNVSSP-AXGKCNHXSA-N 1 1 625.597 5.054 50 0 biogenic KKAAMO Cc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)CC2)cc1 ZINC000101215524 554681493 /nfs/dbraw/zinc/68/14/93/554681493.db2.gz QPJBYNXBTYNRJP-UHFFFAOYSA-N 1 1 538.051 5.777 50 0 KKAAMO O=C(COc1ccccc1F)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000101216304 554683164 /nfs/dbraw/zinc/68/31/64/554683164.db2.gz HIRYXXMPGCSRJC-UHFFFAOYSA-N 1 1 542.014 5.608 50 0 KKAAMO O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254872 554695791 /nfs/dbraw/zinc/69/57/91/554695791.db2.gz YGRXXCIXRXTHJM-MUUNZHRXSA-N 1 1 610.611 5.532 50 0 KKAAMO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)c(C)c1 ZINC000101341572 554735604 /nfs/dbraw/zinc/73/56/04/554735604.db2.gz KUGOJTZHVXDPIL-IADCTJSHSA-N 1 1 569.768 5.072 50 0 KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccccc12 ZINC000101347456 554737599 /nfs/dbraw/zinc/73/75/99/554737599.db2.gz WPPQNQIKKSVHIQ-MRPYTORDSA-N 1 1 548.042 5.816 50 0 KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccccc12 ZINC000101347456 554737602 /nfs/dbraw/zinc/73/76/02/554737602.db2.gz WPPQNQIKKSVHIQ-MRPYTORDSA-N 1 1 548.042 5.816 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O)C1CCCCC1 ZINC000101416721 554765518 /nfs/dbraw/zinc/76/55/18/554765518.db2.gz HRLZBIRAMYKGPQ-LDLOPFEMSA-N 1 1 547.696 5.537 50 0 KKAAMO Cc1ccc(CN2c3ccccc3S[C@@H]([C@@H](C)C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000101434803 554771848 /nfs/dbraw/zinc/77/18/48/554771848.db2.gz LVCGIHKXKVYFCM-BTYSJIOQSA-N 1 1 563.167 5.230 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+](Cc4ccccc4)C(C)C)cc3)C2=O)c1 ZINC000101506549 554790449 /nfs/dbraw/zinc/79/04/49/554790449.db2.gz DXLQYOWZKHRQTH-JWHWKPFMSA-N 1 1 573.737 6.992 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101506586 554790515 /nfs/dbraw/zinc/79/05/15/554790515.db2.gz PJCUPPDURUCSSJ-GZZLJNBRSA-N 1 1 543.667 5.920 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000101507056 554791154 /nfs/dbraw/zinc/79/11/54/554791154.db2.gz MLELMVZRPINDNJ-PMERELPUSA-N 1 1 589.777 5.546 50 0 KKAAMO O=C(NCCC[N@@H+](Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101617756 554806392 /nfs/dbraw/zinc/80/63/92/554806392.db2.gz MRCUCPRDJPJKLX-KYJUHHDHSA-N 1 1 545.749 6.516 50 0 KKAAMO O=C(c1cc(-c2ccccc2Cl)nn1-c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101658530 554820270 /nfs/dbraw/zinc/82/02/70/554820270.db2.gz OZSZNOPOAWSQDK-UHFFFAOYSA-N 1 1 567.520 7.394 50 0 KKAAMO O=C(C[C@@H](c1cnc2ccc(Cl)cn21)c1cccc(C(F)(F)F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101664156 554822317 /nfs/dbraw/zinc/82/23/17/554822317.db2.gz YXRWYOCFGDYGQJ-GDLZYMKVSA-N 1 1 603.088 7.462 50 0 KKAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3sccc3C)n2)C1 ZINC000101855179 554843573 /nfs/dbraw/zinc/84/35/73/554843573.db2.gz OQBBEBQXWCMSHW-QFIPXVFZSA-N 1 1 534.682 5.186 50 0 KKAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3sccc3C)n2)C1 ZINC000101855179 554843575 /nfs/dbraw/zinc/84/35/75/554843575.db2.gz OQBBEBQXWCMSHW-QFIPXVFZSA-N 1 1 534.682 5.186 50 0 KKAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Cl)c1 ZINC000101858143 554843993 /nfs/dbraw/zinc/84/39/93/554843993.db2.gz OINHESYYRPLJTO-MUAVYFROSA-N 1 1 586.102 6.185 50 0 KKAAMO O=C(CC[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1cccc(Cl)c1 ZINC000101858143 554843995 /nfs/dbraw/zinc/84/39/95/554843995.db2.gz OINHESYYRPLJTO-MUAVYFROSA-N 1 1 586.102 6.185 50 0 KKAAMO CSc1ccc(NC(=O)CC[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101889691 554846218 /nfs/dbraw/zinc/84/62/18/554846218.db2.gz CUAGNCQUIQXJME-SETSBSEESA-N 1 1 597.751 6.254 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)c(OC)c2)CC[N@H+](C)C4)c1 ZINC000101916565 554850352 /nfs/dbraw/zinc/85/03/52/554850352.db2.gz KCIYKDJIMJBNGO-NDEPHWFRSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)c(OC)c2)CC[N@@H+](C)C4)c1 ZINC000101916565 554850354 /nfs/dbraw/zinc/85/03/54/554850354.db2.gz KCIYKDJIMJBNGO-NDEPHWFRSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)c(OC)c2)CC[N@H+](C)C4)c1 ZINC000101916570 554850360 /nfs/dbraw/zinc/85/03/60/554850360.db2.gz KCIYKDJIMJBNGO-MUUNZHRXSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)c(OC)c2)CC[N@@H+](C)C4)c1 ZINC000101916570 554850363 /nfs/dbraw/zinc/85/03/63/554850363.db2.gz KCIYKDJIMJBNGO-MUUNZHRXSA-N 1 1 544.677 5.690 50 0 KKAAMO CC[C@@H](C)N(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1nc(Cc2cccc(OC)c2)ns1 ZINC000101954072 554853094 /nfs/dbraw/zinc/85/30/94/554853094.db2.gz ONZQJCSVELKCMG-AREMUKBSSA-N 1 1 583.802 6.066 50 0 KKAAMO O=C(c1cccc(CSc2nc(Cl)cc(N3CCOCC3)n2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101954630 554853311 /nfs/dbraw/zinc/85/33/11/554853311.db2.gz MTSMHCNBHVNXSB-UHFFFAOYSA-N 1 1 600.188 5.806 50 0 KKAAMO COc1cc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)cc2)cc(OC)c1OC ZINC000101975956 554862814 /nfs/dbraw/zinc/86/28/14/554862814.db2.gz KCYDPBMBFFUBTM-VWLOTQADSA-N 1 1 537.638 5.189 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000102096306 554879448 /nfs/dbraw/zinc/87/94/48/554879448.db2.gz LRLFKNQGLFKLBZ-GGXMVOPNSA-N 1 1 576.625 8.047 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Br)cc4)c(OC)c2)N3)C1 ZINC000102099488 554881166 /nfs/dbraw/zinc/88/11/66/554881166.db2.gz XYWXOMDWPDAYOM-JOCHJYFZSA-N 1 1 542.455 5.545 50 0 KKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1 ZINC000102102928 554882085 /nfs/dbraw/zinc/88/20/85/554882085.db2.gz HSNCVHLMCFLWFX-UHFFFAOYSA-N 1 1 540.510 7.343 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)cnn2-c2cccc(Cl)c2)CC1 ZINC000102130197 554884979 /nfs/dbraw/zinc/88/49/79/554884979.db2.gz SICDUZXADNROLC-UHFFFAOYSA-N 1 1 593.172 5.192 50 0 KKAAMO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1C1Cc2ccccc2C1 ZINC000102265607 554905370 /nfs/dbraw/zinc/90/53/70/554905370.db2.gz TYNHJOGCEKKWMU-NAKRPHOHSA-N 1 1 538.742 6.139 50 0 KKAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000102332650 554912668 /nfs/dbraw/zinc/91/26/68/554912668.db2.gz OWMKXXYJYLARCJ-QPQHGXMVSA-N 1 1 518.701 6.205 50 0 KKAAMO COc1ccccc1CCNC(=O)CC[C@H]1C[N@H+](C(C)C)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102379664 554918251 /nfs/dbraw/zinc/91/82/51/554918251.db2.gz GEBNNZVFDIOMKW-LBNVMWSVSA-N 1 1 560.705 5.074 50 0 KKAAMO O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](Cc1ccccc1)C3)Nc1cccc2ccccc21 ZINC000102445052 554930483 /nfs/dbraw/zinc/93/04/83/554930483.db2.gz QRXMCABWECSDOM-UHFFFAOYSA-N 1 1 602.785 6.949 50 0 KKAAMO O=C(CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](Cc1ccccc1)C3)Nc1cccc2ccccc21 ZINC000102445052 554930486 /nfs/dbraw/zinc/93/04/86/554930486.db2.gz QRXMCABWECSDOM-UHFFFAOYSA-N 1 1 602.785 6.949 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000102453540 554933708 /nfs/dbraw/zinc/93/37/08/554933708.db2.gz AXDOLRCHPPPASW-DHUJRADRSA-N 1 1 607.806 9.120 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000102453321 554933718 /nfs/dbraw/zinc/93/37/18/554933718.db2.gz OZOYTCBULLGJRG-UMSFTDKQSA-N 1 1 611.750 7.839 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc5c(c4)OCCO5)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000102454732 554934041 /nfs/dbraw/zinc/93/40/41/554934041.db2.gz QBDYNSSSZNIQSX-GEEJYJCBSA-N 1 1 565.695 6.216 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(Br)o2)cc1 ZINC000102458739 554935097 /nfs/dbraw/zinc/93/50/97/554935097.db2.gz ZEBPQRONRYAHCS-SSEXGKCCSA-N 1 1 620.555 8.178 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(Br)o2)cc1 ZINC000102458735 554935108 /nfs/dbraw/zinc/93/51/08/554935108.db2.gz ZEBPQRONRYAHCS-PMERELPUSA-N 1 1 620.555 8.178 50 0 KKAAMO COC(=O)c1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(Cl)c1)C[N@@H+](C)CC3 ZINC000102500225 554942863 /nfs/dbraw/zinc/94/28/63/554942863.db2.gz QUIFODPULRIYBQ-SANMLTNESA-N 1 1 547.080 6.104 50 0 KKAAMO COC(=O)c1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(Cl)c1)C[N@H+](C)CC3 ZINC000102500225 554942865 /nfs/dbraw/zinc/94/28/65/554942865.db2.gz QUIFODPULRIYBQ-SANMLTNESA-N 1 1 547.080 6.104 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3cccc(Oc4ccccc4)c3)C2)cc1 ZINC000102552619 554962817 /nfs/dbraw/zinc/96/28/17/554962817.db2.gz ZTPGMVXYIQUDHK-JSOSNVBQSA-N 1 1 564.711 6.187 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3cccc(Oc4ccccc4)c3)C2)cc1 ZINC000102552619 554962819 /nfs/dbraw/zinc/96/28/19/554962819.db2.gz ZTPGMVXYIQUDHK-JSOSNVBQSA-N 1 1 564.711 6.187 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc5c(c4)OCCO5)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000102629857 554989060 /nfs/dbraw/zinc/98/90/60/554989060.db2.gz QBDYNSSSZNIQSX-OZTMZFPKSA-N 1 1 565.695 6.216 50 0 KKAAMO CC(C)(C)c1ccc2c(c1)N(Cc1ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc1)C(=O)CO2 ZINC000102681442 555005632 /nfs/dbraw/zinc/00/56/32/555005632.db2.gz CFEGQOKHIZXSHV-UHFFFAOYSA-N 1 1 573.737 6.457 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)C1 ZINC000102720010 555019891 /nfs/dbraw/zinc/01/98/91/555019891.db2.gz URFNQMGOQKRVMA-YPJAJYNUSA-N 1 1 557.735 6.604 50 0 KKAAMO O=C(CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Cl ZINC000102754578 555046267 /nfs/dbraw/zinc/04/62/67/555046267.db2.gz VBWQFQAODWNQND-UHFFFAOYSA-N 1 1 582.557 5.646 50 0 KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@]12C(=O)Nc1ccccc12 ZINC000102769336 555056943 /nfs/dbraw/zinc/05/69/43/555056943.db2.gz GKIKOHDMJGPJMJ-APVDNHQMSA-N 1 1 542.035 5.062 50 0 KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@]12C(=O)Nc1ccccc12 ZINC000102769336 555056946 /nfs/dbraw/zinc/05/69/46/555056946.db2.gz GKIKOHDMJGPJMJ-APVDNHQMSA-N 1 1 542.035 5.062 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102770889 555058582 /nfs/dbraw/zinc/05/85/82/555058582.db2.gz YPUQCILWTPOJIM-BCJTWVECSA-N 1 1 625.144 6.388 50 0 KKAAMO CCOc1ccc(-c2nc3ccc(C(=O)NCCC[N@@H+](Cc4ccccc4)C(C)C)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000102771925 555060932 /nfs/dbraw/zinc/06/09/32/555060932.db2.gz YDMHJTGPBURAJV-UHFFFAOYSA-N 1 1 602.779 7.792 50 0 KKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000102780075 555065407 /nfs/dbraw/zinc/06/54/07/555065407.db2.gz CLLZPIUZJCWBOZ-QMFOPCRCSA-N 1 1 532.109 6.234 50 0 KKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1)C1CCCCC1 ZINC000102787649 555068015 /nfs/dbraw/zinc/06/80/15/555068015.db2.gz FDCDEYBFAKZGDW-IGKMFZNPSA-N 1 1 585.789 7.669 50 0 KKAAMO O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000102937364 555165500 /nfs/dbraw/zinc/16/55/00/555165500.db2.gz JNXOBHWIVDWZQP-UHFFFAOYSA-N 1 1 628.823 7.140 50 0 KKAAMO COc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1 ZINC000103002090 555201728 /nfs/dbraw/zinc/20/17/28/555201728.db2.gz CKBAOBHYBANLCY-UHFFFAOYSA-N 1 1 590.145 5.375 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103022013 555213360 /nfs/dbraw/zinc/21/33/60/555213360.db2.gz VIAUEWDTMOYEQE-AREMUKBSSA-N 1 1 536.072 5.559 50 0 KKAAMO CCCSc1ncccc1C(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000103024902 555215244 /nfs/dbraw/zinc/21/52/44/555215244.db2.gz GLCWSHHZXOKKMR-UHFFFAOYSA-N 1 1 558.575 6.845 50 0 KKAAMO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(OC)c1 ZINC000103065011 555245669 /nfs/dbraw/zinc/24/56/69/555245669.db2.gz VYUPOJCZSUBFBT-UHFFFAOYSA-N 1 1 552.546 7.357 50 0 KKAAMO C[C@@H]1CN(c2cc(Cl)nc(SCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)CCN1C(=O)NC(C)(C)C ZINC000103124970 555292958 /nfs/dbraw/zinc/29/29/58/555292958.db2.gz KSUXUHRVRLVCAU-XMMPIXPASA-N 1 1 636.266 5.175 50 0 KKAAMO CCc1ccc(C(=O)Oc2ccc(-c3[nH+]c4ccc(Br)cn4c3NC3CCCCC3)cc2OC)cc1 ZINC000103128991 555297451 /nfs/dbraw/zinc/29/74/51/555297451.db2.gz RQPBEAIFXQNQPL-UHFFFAOYSA-N 1 1 548.481 7.299 50 0 KKAAMO CCOCCCN1C(=O)c2ccccc2[C@@H]1Nc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000103183163 555329939 /nfs/dbraw/zinc/32/99/39/555329939.db2.gz XZXGILBNFCRPBX-PGUFJCEWSA-N 1 1 588.752 6.227 50 0 KKAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000103206930 555339177 /nfs/dbraw/zinc/33/91/77/555339177.db2.gz YCTVKEWXALSXEW-UHFFFAOYSA-N 1 1 534.628 6.617 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288163 555353940 /nfs/dbraw/zinc/35/39/40/555353940.db2.gz AHFNMMAQBICXPE-MCZNPFQCSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288163 555353944 /nfs/dbraw/zinc/35/39/44/555353944.db2.gz AHFNMMAQBICXPE-MCZNPFQCSA-N 1 1 556.062 5.452 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000103313670 555358379 /nfs/dbraw/zinc/35/83/79/555358379.db2.gz SWZYKECGAJVVEB-GOTSBHOMSA-N 1 1 533.883 6.390 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000103313670 555358381 /nfs/dbraw/zinc/35/83/81/555358381.db2.gz SWZYKECGAJVVEB-GOTSBHOMSA-N 1 1 533.883 6.390 50 0 KKAAMO CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103324065 555359045 /nfs/dbraw/zinc/35/90/45/555359045.db2.gz RWFSFXAMLQDKMC-YTTGMZPUSA-N 1 1 594.737 5.961 50 0 KKAAMO Cc1cccc(C)c1NC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cc5ccccc5s4)cn32)CC1 ZINC000103398398 555384908 /nfs/dbraw/zinc/38/49/08/555384908.db2.gz GIQKMJZTEPNCLO-UHFFFAOYSA-N 1 1 571.750 7.850 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000103416253 555397825 /nfs/dbraw/zinc/39/78/25/555397825.db2.gz RXOMNYOWLAEKSC-XIFFEERXSA-N 1 1 596.146 7.961 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)CC1 ZINC000103419566 555399920 /nfs/dbraw/zinc/39/99/20/555399920.db2.gz KKPFPEGYJHYIQC-UHFFFAOYSA-N 1 1 552.626 5.418 50 0 KKAAMO Cc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)Nc5ccc(C(F)(F)F)cc5)CC4)n3c2)c1 ZINC000103434840 555417389 /nfs/dbraw/zinc/41/73/89/555417389.db2.gz GNNPUCOFKQWHJM-UHFFFAOYSA-N 1 1 569.631 7.345 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288020 571361518 /nfs/dbraw/zinc/36/15/18/571361518.db2.gz GCVAVYPQFCUTGS-JWXXLELASA-N 1 1 584.672 6.466 50 0 KKAAMO COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000103528701 571361713 /nfs/dbraw/zinc/36/17/13/571361713.db2.gz STOAPNMOTXHAIM-ACZXLBTNSA-N 1 1 556.618 5.686 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@@H](C(=O)c2ccc(C(C)C)cc2)[C@@H](c2ccco2)C[N@@H+]3C)c1 ZINC000103888743 571368758 /nfs/dbraw/zinc/36/87/58/571368758.db2.gz BSBCUWSLTMAFCG-ANKULEBZSA-N 1 1 532.684 6.990 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@@H](C(=O)c2ccc(C(C)C)cc2)[C@@H](c2ccco2)C[N@H+]3C)c1 ZINC000103888743 571368759 /nfs/dbraw/zinc/36/87/59/571368759.db2.gz BSBCUWSLTMAFCG-ANKULEBZSA-N 1 1 532.684 6.990 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(Cl)c1)C3=O ZINC000104147793 571375190 /nfs/dbraw/zinc/37/51/90/571375190.db2.gz SEXXIVHIGBPBEK-ITOWZWGRSA-N 1 1 551.131 5.202 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc(Cl)cc1)C3=O ZINC000104147815 571375200 /nfs/dbraw/zinc/37/52/00/571375200.db2.gz KSEILDOPDXTUFS-ITOWZWGRSA-N 1 1 551.131 5.202 50 0 KKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@H]2c2ccccc2)c1 ZINC000105022708 571389480 /nfs/dbraw/zinc/38/94/80/571389480.db2.gz SJICJDFQSJIVDR-GPNASLBKSA-N 1 1 508.637 6.366 50 0 KKAAMO Cc1cccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105041441 571390131 /nfs/dbraw/zinc/39/01/31/571390131.db2.gz QUHIANOGRRULSF-LBNVMWSVSA-N 1 1 512.591 6.919 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000105042227 571390259 /nfs/dbraw/zinc/39/02/59/571390259.db2.gz CNTXCCWOMMLYHD-YIXXDRMTSA-N 1 1 516.579 6.760 50 0 KKAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000105046465 571390420 /nfs/dbraw/zinc/39/04/20/571390420.db2.gz GLMDYCBUKYPIDM-FCHUYYIVSA-N 1 1 504.955 6.420 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000105061002 571390671 /nfs/dbraw/zinc/39/06/71/571390671.db2.gz OESAUUDLLVJPKU-JHOBJCJYSA-N 1 1 529.750 5.675 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000105061002 571390673 /nfs/dbraw/zinc/39/06/73/571390673.db2.gz OESAUUDLLVJPKU-JHOBJCJYSA-N 1 1 529.750 5.675 50 0 KKAAMO Cc1ccc(-c2nnc(SCc3cccc(C(=O)N4CC[NH+](C)CC4)c3)n2-c2ccccc2F)cc1 ZINC000105076659 571390936 /nfs/dbraw/zinc/39/09/36/571390936.db2.gz WHTPUUCJPYRYHN-UHFFFAOYSA-N 1 1 501.631 5.062 50 0 KKAAMO COc1cc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3n2)cc(OC)c1OC ZINC000105505814 571406771 /nfs/dbraw/zinc/40/67/71/571406771.db2.gz HYLYWQNWFZSXBA-UHFFFAOYSA-N 1 1 631.655 5.988 50 0 KKAAMO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc1 ZINC000150388842 571471213 /nfs/dbraw/zinc/47/12/13/571471213.db2.gz IUMLQNBJVADKLF-UHFFFAOYSA-N 1 1 686.167 10.120 50 0 KKAAMO COc1ccc([C@H](C2C(=O)NC(=S)[C@H](c3ccc(C)cc3)C2=O)C2C(=O)NC(=S)[C@@H](c3ccc(C)cc3)C2=O)cc1C[NH+]1CCCCC1 ZINC000150390327 571472603 /nfs/dbraw/zinc/47/26/03/571472603.db2.gz XBASESAJEWAPAG-BQRNWKATSA-N 1 1 681.880 7.310 50 0 KKAAMO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150390587 571472907 /nfs/dbraw/zinc/47/29/07/571472907.db2.gz NDWMCSQZLFYRPI-PMERELPUSA-N 1 1 648.229 5.056 50 0 KKAAMO Cc1ccc(C(=O)N2CCN(c3cc(Cl)nc(SCC(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)n3)C[C@H]2C)cc1 ZINC000150408776 571481158 /nfs/dbraw/zinc/48/11/58/571481158.db2.gz ZXWJEXUOBHODAY-HHHXNRCGSA-N 1 1 655.268 5.815 50 0 KKAAMO CCOC(=O)c1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414622 571485176 /nfs/dbraw/zinc/48/51/76/571485176.db2.gz ZGQCYVMPHDUMDP-HKBQPEDESA-N 1 1 659.878 5.124 50 0 KKAAMO O[C@H](CC1c2ccccc2-c2ccccc21)CN1CC[NH+](C[C@@H](O)C[C@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000150631402 571524114 /nfs/dbraw/zinc/52/41/14/571524114.db2.gz NFKZAYGAZSLISU-ISVMRZDUSA-N 1 1 767.400 8.019 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677728 571555264 /nfs/dbraw/zinc/55/52/64/571555264.db2.gz CHRHPKPBYVNEJL-GJZUVCINSA-N 1 1 515.526 5.528 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000169679813 571556462 /nfs/dbraw/zinc/55/64/62/571556462.db2.gz WMWYVHAYEHDZTQ-LITSAYRRSA-N 1 1 526.618 7.167 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000169679786 571556523 /nfs/dbraw/zinc/55/65/23/571556523.db2.gz NNXCOQQFPCDIQP-YWEHKCAJSA-N 1 1 514.563 6.117 50 0 KKAAMO O=C(NC[C@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@H+](Cc2ccccc2)CC3)o1 ZINC000169679951 571556737 /nfs/dbraw/zinc/55/67/37/571556737.db2.gz CXPHXTMJGUBBCI-NSJVFKKDSA-N 1 1 522.645 5.915 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169680889 571557191 /nfs/dbraw/zinc/55/71/91/571557191.db2.gz QXXSAVXKVKGEHG-DLLPINGYSA-N 1 1 579.832 5.613 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680919 571557548 /nfs/dbraw/zinc/55/75/48/571557548.db2.gz GYRPANCBDYEPOZ-BNHRFMORSA-N 1 1 537.729 5.920 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000169681591 571557577 /nfs/dbraw/zinc/55/75/77/571557577.db2.gz RDXPOVJIZRZKQZ-LEAFIULHSA-N 1 1 512.591 6.919 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680918 571557587 /nfs/dbraw/zinc/55/75/87/571557587.db2.gz GYRPANCBDYEPOZ-NRUKRWIHSA-N 1 1 537.729 5.920 50 0 KKAAMO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681939 571557760 /nfs/dbraw/zinc/55/77/60/571557760.db2.gz PSYPOUXRHNSNTM-UPVQGACJSA-N 1 1 503.952 5.131 50 0 KKAAMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000169775417 571560287 /nfs/dbraw/zinc/56/02/87/571560287.db2.gz RJNLJTQALKHTPY-LEUQSAOGSA-N 1 1 557.710 5.799 50 0 KKAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)occ3-c1ccc(F)cc1 ZINC000170613398 571561947 /nfs/dbraw/zinc/56/19/47/571561947.db2.gz NKGBULQLZAQTFL-FNZWTVRRSA-N 1 1 502.586 5.577 50 0 KKAAMO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613402 571561975 /nfs/dbraw/zinc/56/19/75/571561975.db2.gz XVXNJUKXGMYQSQ-DWACAAAGSA-N 1 1 547.095 6.790 50 0 KKAAMO COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)NC[C@H]4CCC[N@H+]5CCCC[C@@H]45)cs3)n2)c(OC)c1 ZINC000226816799 572141875 /nfs/dbraw/zinc/14/18/75/572141875.db2.gz RXGUCKFJONMYEH-IERDGZPVSA-N 1 1 549.619 5.026 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000227247079 572152937 /nfs/dbraw/zinc/15/29/37/572152937.db2.gz IOHJNHCBHSXXMW-NDBXHCKUSA-N 1 1 567.951 5.522 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000227247079 572152939 /nfs/dbraw/zinc/15/29/39/572152939.db2.gz IOHJNHCBHSXXMW-NDBXHCKUSA-N 1 1 567.951 5.522 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000227711365 572153980 /nfs/dbraw/zinc/15/39/80/572153980.db2.gz TZDKCBCBAGRRKY-LJQANCHMSA-N 1 1 580.801 6.076 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000227711365 572153986 /nfs/dbraw/zinc/15/39/86/572153986.db2.gz TZDKCBCBAGRRKY-LJQANCHMSA-N 1 1 580.801 6.076 50 0 KKAAMO CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]2C[C@@H]3c4cc(OC)c(OC)cc4CC[N@H+]3C[C@@H]2CC)cc1 ZINC000229865870 572162217 /nfs/dbraw/zinc/16/22/17/572162217.db2.gz KQLDASGMVSYSES-RLOMXOEUSA-N 1 1 628.810 6.895 50 0 biogenic KKAAMO COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000230000479 572177748 /nfs/dbraw/zinc/17/77/48/572177748.db2.gz STOAPNMOTXHAIM-SOOJPDKZSA-N 1 1 556.618 5.686 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245281325 572225326 /nfs/dbraw/zinc/22/53/26/572225326.db2.gz XFOAKDYXTUUMFD-KCWPFWIISA-N 1 1 515.595 6.197 50 0 KKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245309697 572227492 /nfs/dbraw/zinc/22/74/92/572227492.db2.gz FNUYFHGFTXQGKP-CGXNFDGLSA-N 1 1 502.920 5.489 50 0 KKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245309697 572227494 /nfs/dbraw/zinc/22/74/94/572227494.db2.gz FNUYFHGFTXQGKP-CGXNFDGLSA-N 1 1 502.920 5.489 50 0 KKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000245327888 572234361 /nfs/dbraw/zinc/23/43/61/572234361.db2.gz KVPAGDBGALSPGE-RXYILKCJSA-N 1 1 513.723 5.501 50 0 KKAAMO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459537 572242186 /nfs/dbraw/zinc/24/21/86/572242186.db2.gz AIWYYYCARYHFNE-QGZVFWFLSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(NCCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247465558 572242606 /nfs/dbraw/zinc/24/26/06/572242606.db2.gz CLSFPNBTWDUAFM-NRFANRHFSA-N 1 1 551.916 6.012 50 0 KKAAMO O=C(NCc1ccccc1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247493350 572242611 /nfs/dbraw/zinc/24/26/11/572242611.db2.gz NDZAGCNQGFUANL-UHFFFAOYSA-N 1 1 503.444 5.316 50 0 KKAAMO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247516368 572242830 /nfs/dbraw/zinc/24/28/30/572242830.db2.gz VTTGDHBNFLRPNG-LJQANCHMSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247516368 572242832 /nfs/dbraw/zinc/24/28/32/572242832.db2.gz VTTGDHBNFLRPNG-LJQANCHMSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247520223 572242907 /nfs/dbraw/zinc/24/29/07/572242907.db2.gz XDXKPCHNAYDVIP-QGZVFWFLSA-N 1 1 541.852 6.431 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247521098 572242989 /nfs/dbraw/zinc/24/29/89/572242989.db2.gz XJAXTKHHAOUVRO-HXUWFJFHSA-N 1 1 521.434 5.456 50 0 KKAAMO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247742900 572243989 /nfs/dbraw/zinc/24/39/89/572243989.db2.gz OPYPFEKLSGKYMJ-QFIPXVFZSA-N 1 1 539.477 6.792 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247735171 572244241 /nfs/dbraw/zinc/24/42/41/572244241.db2.gz KJKBQEVKBUYCOR-FQEVSTJZSA-N 1 1 526.990 6.608 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247735171 572244242 /nfs/dbraw/zinc/24/42/42/572244242.db2.gz KJKBQEVKBUYCOR-FQEVSTJZSA-N 1 1 526.990 6.608 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247758626 572244613 /nfs/dbraw/zinc/24/46/13/572244613.db2.gz YVVNJENXJHTMEQ-IBGZPJMESA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247758626 572244615 /nfs/dbraw/zinc/24/46/15/572244615.db2.gz YVVNJENXJHTMEQ-IBGZPJMESA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000247795052 572244999 /nfs/dbraw/zinc/24/49/99/572244999.db2.gz CBJAIXHVDHAZHB-UHFFFAOYSA-N 1 1 655.424 6.291 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000247844060 572245892 /nfs/dbraw/zinc/24/58/92/572245892.db2.gz GJVFSMLZEQNNMY-HSZRJFAPSA-N 1 1 596.990 6.606 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247843923 572245940 /nfs/dbraw/zinc/24/59/40/572245940.db2.gz GGSRWZRZRFUYOE-JOCHJYFZSA-N 1 1 576.514 5.488 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247840036 572246058 /nfs/dbraw/zinc/24/60/58/572246058.db2.gz FBBBCXJDCSHISH-NRFANRHFSA-N 1 1 550.053 5.518 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247848193 572246338 /nfs/dbraw/zinc/24/63/38/572246338.db2.gz HTVMAPRMRCVYRI-UHFFFAOYSA-N 1 1 592.969 6.002 50 0 KKAAMO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247859878 572246598 /nfs/dbraw/zinc/24/65/98/572246598.db2.gz FLEKPJOCEPAEQM-NRFANRHFSA-N 1 1 517.471 6.256 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247861574 572246829 /nfs/dbraw/zinc/24/68/29/572246829.db2.gz MVYKAZPZGXZTSB-UHFFFAOYSA-N 1 1 592.969 6.002 50 0 KKAAMO Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000247868727 572247107 /nfs/dbraw/zinc/24/71/07/572247107.db2.gz KFTKQTUFVJDYIC-RUZDIDTESA-N 1 1 586.578 5.966 50 0 KKAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c1 ZINC000247874934 572247439 /nfs/dbraw/zinc/24/74/39/572247439.db2.gz NRGHWCRBXVLCKT-ROXDYWFKSA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c1 ZINC000247874934 572247442 /nfs/dbraw/zinc/24/74/42/572247442.db2.gz NRGHWCRBXVLCKT-ROXDYWFKSA-N 1 1 531.534 5.476 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(Br)cc4)C3)nc3ccccc32)cc1 ZINC000247874489 572247629 /nfs/dbraw/zinc/24/76/29/572247629.db2.gz GKIIPKQYDVXOSU-OAQYLSRUSA-N 1 1 533.470 5.706 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(Br)cc4)C3)nc3ccccc32)cc1 ZINC000247874489 572247630 /nfs/dbraw/zinc/24/76/30/572247630.db2.gz GKIIPKQYDVXOSU-OAQYLSRUSA-N 1 1 533.470 5.706 50 0 KKAAMO Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247877321 572248132 /nfs/dbraw/zinc/24/81/32/572248132.db2.gz PMCYWPUHFDUGMA-VWLOTQADSA-N 1 1 586.578 5.966 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247881354 572248147 /nfs/dbraw/zinc/24/81/47/572248147.db2.gz VSTNZVKJBSORHU-QFIPXVFZSA-N 1 1 592.969 6.002 50 0 KKAAMO Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000247883237 572248243 /nfs/dbraw/zinc/24/82/43/572248243.db2.gz CPRRMBIJIPEBQQ-QFIPXVFZSA-N 1 1 517.471 5.625 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5c(C)cccc5C)CC4)CC3)nc3ccccc32)cc1 ZINC000247886526 572248251 /nfs/dbraw/zinc/24/82/51/572248251.db2.gz KYGHEMUMWNTEQJ-UHFFFAOYSA-N 1 1 551.735 5.271 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5cc(C)ccc5C)CC4)CC3)nc3ccccc32)cc1 ZINC000247888144 572248271 /nfs/dbraw/zinc/24/82/71/572248271.db2.gz LSQYANNZZYUFPC-UHFFFAOYSA-N 1 1 551.735 5.271 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)nc3ccccc32)cc1 ZINC000247886692 572248309 /nfs/dbraw/zinc/24/83/09/572248309.db2.gz LHBXWXNLSYGSSD-NRFANRHFSA-N 1 1 522.571 5.963 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)nc3ccccc32)cc1 ZINC000247886692 572248310 /nfs/dbraw/zinc/24/83/10/572248310.db2.gz LHBXWXNLSYGSSD-NRFANRHFSA-N 1 1 522.571 5.963 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886027 572248427 /nfs/dbraw/zinc/24/84/27/572248427.db2.gz XASKZFJFCPBLEN-QFIPXVFZSA-N 1 1 532.063 5.379 50 0 KKAAMO O=C(c1ccccc1Cl)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000247895167 572248586 /nfs/dbraw/zinc/24/85/86/572248586.db2.gz ZTBROTJEBXAGGI-UHFFFAOYSA-N 1 1 560.073 5.015 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)NCc4ccccc4Cl)C3)nc3ccccc32)cc1 ZINC000247894842 572248703 /nfs/dbraw/zinc/24/87/03/572248703.db2.gz OHAIOGMPTPMDOG-QHCPKHFHSA-N 1 1 503.046 5.275 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccc(C)c(C)c5)CC4)CC3)nc3ccccc32)cc1 ZINC000247910467 572249164 /nfs/dbraw/zinc/24/91/64/572249164.db2.gz UOGBEJYLRBDRMW-UHFFFAOYSA-N 1 1 551.735 5.271 50 0 KKAAMO Cc1cccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247948245 572250313 /nfs/dbraw/zinc/25/03/13/572250313.db2.gz XGINBDOLEJQQDD-QFIPXVFZSA-N 1 1 517.471 5.625 50 0 KKAAMO O=C(c1ccccc1Cl)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000247950332 572250616 /nfs/dbraw/zinc/25/06/16/572250616.db2.gz SKVKPRGCOHXZLU-UHFFFAOYSA-N 1 1 620.979 5.638 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247965148 572250988 /nfs/dbraw/zinc/25/09/88/572250988.db2.gz XATDTIHUKUFJHF-CUBQBAPOSA-N 1 1 514.563 6.117 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000247965981 572251152 /nfs/dbraw/zinc/25/11/52/572251152.db2.gz ZGKAYFNNHKDJHQ-MPPVQRIUSA-N 1 1 562.851 5.117 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000247965981 572251154 /nfs/dbraw/zinc/25/11/54/572251154.db2.gz ZGKAYFNNHKDJHQ-MPPVQRIUSA-N 1 1 562.851 5.117 50 0 KKAAMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247991614 572251479 /nfs/dbraw/zinc/25/14/79/572251479.db2.gz MXMCPJURABYYMV-HXUWFJFHSA-N 1 1 503.444 5.947 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000247988390 572251527 /nfs/dbraw/zinc/25/15/27/572251527.db2.gz JJRCCTFTUSETBN-FQEVSTJZSA-N 1 1 542.511 5.121 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000247991699 572251610 /nfs/dbraw/zinc/25/16/10/572251610.db2.gz KORTZXONCHZICR-NRFANRHFSA-N 1 1 542.511 5.121 50 0 KKAAMO Cc1ccccc1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000248004565 572251906 /nfs/dbraw/zinc/25/19/06/572251906.db2.gz VAKRVSMYMAZURM-UHFFFAOYSA-N 1 1 503.444 5.947 50 0 KKAAMO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248012040 572252352 /nfs/dbraw/zinc/25/23/52/572252352.db2.gz JGIYYOLCDWVHMV-XTEPFMGCSA-N 1 1 504.556 5.361 50 0 KKAAMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248086067 572253328 /nfs/dbraw/zinc/25/33/28/572253328.db2.gz KEFBMZZMVLUURB-JOCHJYFZSA-N 1 1 517.471 5.625 50 0 KKAAMO Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248093338 572253369 /nfs/dbraw/zinc/25/33/69/572253369.db2.gz HQAQLDQKVYVYTP-SANMLTNESA-N 1 1 542.127 5.607 50 0 KKAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248089908 572253456 /nfs/dbraw/zinc/25/34/56/572253456.db2.gz MIOIMFUAKFSCJR-PWUYWRBVSA-N 1 1 509.760 5.671 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248099149 572253573 /nfs/dbraw/zinc/25/35/73/572253573.db2.gz JCJIPFFRMYUZOL-AREMUKBSSA-N 1 1 542.127 5.607 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248114884 572253954 /nfs/dbraw/zinc/25/39/54/572253954.db2.gz UMDXQFSJIDKGJV-FIBWVYCGSA-N 1 1 501.114 7.339 50 0 KKAAMO COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000248146188 572255512 /nfs/dbraw/zinc/25/55/12/572255512.db2.gz SJPVAXGBPOKESA-HATVSKDLSA-N 1 1 586.644 5.694 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1C ZINC000248149074 572255610 /nfs/dbraw/zinc/25/56/10/572255610.db2.gz IZDXSWVXMTVZCC-RUZDIDTESA-N 1 1 586.578 5.966 50 0 KKAAMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)cc1C ZINC000248155104 572255845 /nfs/dbraw/zinc/25/58/45/572255845.db2.gz LPUHLIFQBFLOQV-UHFFFAOYSA-N 1 1 517.471 6.256 50 0 KKAAMO CCCCN(CCC)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000248245023 572256974 /nfs/dbraw/zinc/25/69/74/572256974.db2.gz QADZZBOOZJYSQD-UHFFFAOYSA-N 1 1 511.508 6.039 50 0 KKAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000248327860 572257966 /nfs/dbraw/zinc/25/79/66/572257966.db2.gz AQGKXMYBXMXQKH-NWNGWGBKSA-N 1 1 533.753 5.751 50 0 KKAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(C(F)(F)F)ccc4N4CC[N@@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248323287 572258028 /nfs/dbraw/zinc/25/80/28/572258028.db2.gz XOOCRHPVAVPKRB-QCENPCRXSA-N 1 1 576.619 5.538 50 0 KKAAMO CCn1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000249692761 572258743 /nfs/dbraw/zinc/25/87/43/572258743.db2.gz MZKBTWWZHPSQAJ-MUUNZHRXSA-N 1 1 521.709 5.202 50 0 KKAAMO CCCCC[N@H+]1[C@H](c2ccc(OC)cc2OC)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]2[C@@]12CC(=O)N(c1ccc(C)cc1)C2=O ZINC000249800750 572258819 /nfs/dbraw/zinc/25/88/19/572258819.db2.gz NCFFNJNNMLKHOL-NLVFCZGTSA-N 1 1 609.723 5.376 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000251975188 572259632 /nfs/dbraw/zinc/25/96/32/572259632.db2.gz DEDUOBRMIYYFDG-MUUNZHRXSA-N 1 1 551.735 5.216 50 0 KKAAMO CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000252011065 572259646 /nfs/dbraw/zinc/25/96/46/572259646.db2.gz SBTGKISUTXKMIF-NRFANRHFSA-N 1 1 517.471 6.201 50 0 KKAAMO CCc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000251981882 572259652 /nfs/dbraw/zinc/25/96/52/572259652.db2.gz GDLJXBKCXFKCEI-UHFFFAOYSA-N 1 1 586.578 5.911 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000252006914 572259654 /nfs/dbraw/zinc/25/96/54/572259654.db2.gz PJAKLDZWFIABNU-IPMXHECSSA-N 1 1 556.460 5.026 50 0 KKAAMO CCc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)cc1 ZINC000252023378 572259796 /nfs/dbraw/zinc/25/97/96/572259796.db2.gz ZWCXQNMUOOGXNA-UHFFFAOYSA-N 1 1 517.471 6.201 50 0 KKAAMO CC(C)c1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000252370223 572260263 /nfs/dbraw/zinc/26/02/63/572260263.db2.gz XERAEOCJZATSCR-UHFFFAOYSA-N 1 1 600.605 6.472 50 0 KKAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]45C)[C@H]3CC[C@@H]1[C@]2(C)O ZINC000252428373 572260533 /nfs/dbraw/zinc/26/05/33/572260533.db2.gz AQGKXMYBXMXQKH-AZCXQPJGSA-N 1 1 533.753 5.751 50 0 KKAAMO C[C@@H](C(=O)Nc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000252487172 572261617 /nfs/dbraw/zinc/26/16/17/572261617.db2.gz UDECRBSDIIHMQC-ZSHJDDHQSA-N 1 1 530.112 6.524 50 0 KKAAMO C[C@@H](C(=O)Nc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000252487172 572261616 /nfs/dbraw/zinc/26/16/16/572261616.db2.gz UDECRBSDIIHMQC-ZSHJDDHQSA-N 1 1 530.112 6.524 50 0 KKAAMO CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000252517827 572262196 /nfs/dbraw/zinc/26/21/96/572262196.db2.gz SLSLNGFHWOQONH-HQMQMYHNSA-N 1 1 544.676 6.682 50 0 KKAAMO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252585321 572264503 /nfs/dbraw/zinc/26/45/03/572264503.db2.gz HSEDMGOCZZYPGG-WIZOYOABSA-N 1 1 708.731 5.231 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000252587102 572265926 /nfs/dbraw/zinc/26/59/26/572265926.db2.gz VPZSVEGKGKSXKT-NARDRGJYSA-N 1 1 604.836 5.105 50 0 KKAAMO CCCOc1cccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000253373774 572282140 /nfs/dbraw/zinc/28/21/40/572282140.db2.gz KBTBOHIOFMNNPB-FUABUCQOSA-N 1 1 560.675 6.519 50 0 KKAAMO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000253479737 572289992 /nfs/dbraw/zinc/28/99/92/572289992.db2.gz RZQOIBNBFRAMJW-NRFANRHFSA-N 1 1 517.471 6.256 50 0 KKAAMO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)c1 ZINC000253477851 572290014 /nfs/dbraw/zinc/29/00/14/572290014.db2.gz HWAAVTXFPPKHNQ-UHFFFAOYSA-N 1 1 517.471 6.256 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@]14C)[N@H+](C)CC3)OCO2 ZINC000253501760 572294928 /nfs/dbraw/zinc/29/49/28/572294928.db2.gz GYQGIZSWANUMBG-KESKWXOSSA-N 1 1 577.762 6.423 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@]14C)[N@@H+](C)CC3)OCO2 ZINC000253501760 572294930 /nfs/dbraw/zinc/29/49/30/572294930.db2.gz GYQGIZSWANUMBG-KESKWXOSSA-N 1 1 577.762 6.423 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@H+](C)CC3)OCO2 ZINC000253501762 572295001 /nfs/dbraw/zinc/29/50/01/572295001.db2.gz GYQGIZSWANUMBG-RMHLBVNBSA-N 1 1 577.762 6.423 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@@H+](C)CC3)OCO2 ZINC000253501762 572295003 /nfs/dbraw/zinc/29/50/03/572295003.db2.gz GYQGIZSWANUMBG-RMHLBVNBSA-N 1 1 577.762 6.423 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5C(C)C)CC4)C3)nc3ccccc32)cc1 ZINC000253607301 572300883 /nfs/dbraw/zinc/30/08/83/572300883.db2.gz JIGQNJSRPRNCGE-MUUNZHRXSA-N 1 1 565.762 5.777 50 0 KKAAMO CCCc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1 ZINC000253607252 572300939 /nfs/dbraw/zinc/30/09/39/572300939.db2.gz HGYBMUIXRKMNRL-UHFFFAOYSA-N 1 1 501.074 6.541 50 0 KKAAMO O=C(c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Br)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000100505133 1069759707 /nfs/dbraw/zinc/75/97/07/1069759707.db2.gz SEVLJMIJCUYWDK-UHFFFAOYSA-N 1 1 620.473 6.725 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)Cc2csc(-c3ccccc3)n2)c1)Cc1cccc2cccnc21 ZINC000101854412 1069820911 /nfs/dbraw/zinc/82/09/11/1069820911.db2.gz YSQGDNOYWWXAIU-YTTGMZPUSA-N 1 1 590.793 7.383 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O ZINC000524729640 1069825547 /nfs/dbraw/zinc/82/55/47/1069825547.db2.gz BMZOANSNASNJKL-SETSBSEESA-N 1 1 556.703 6.105 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4 ZINC000409414006 1069848721 /nfs/dbraw/zinc/84/87/21/1069848721.db2.gz MNCJWDFJLKVSSY-NEKDWFFYSA-N 1 1 548.724 5.707 50 0 KKAAMO COc1cc2[nH+]c(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)c3ccc(NC(C)=O)cc3)cc2c(OC)c1OC ZINC000102457252 1069858182 /nfs/dbraw/zinc/85/81/82/1069858182.db2.gz LGBIRIDJFCOXGJ-UHFFFAOYSA-N 1 1 574.653 5.309 50 0 KKAAMO CCOc1cc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3nc(-c5ccccc5)cs3)C4=O)CC2)ccc1OC ZINC000102634499 1069861455 /nfs/dbraw/zinc/86/14/55/1069861455.db2.gz UEKWZRZICWNIML-UHFFFAOYSA-N 1 1 568.699 5.336 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)c1)Cc1cccc2cccnc21 ZINC000102698834 1069862999 /nfs/dbraw/zinc/86/29/99/1069862999.db2.gz GQRNUYPINCYTPY-NDEPHWFRSA-N 1 1 537.660 6.059 50 0 KKAAMO CC(=O)Oc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000102370235 1070962151 /nfs/dbraw/zinc/96/21/51/1070962151.db2.gz LIMKTMNBTIRLMK-OSZGUBSQSA-N 1 1 612.682 6.381 50 0 KKAAMO CC(C)Oc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102370218 1070962209 /nfs/dbraw/zinc/96/22/09/1070962209.db2.gz GATDCOANDSLCMG-HATVSKDLSA-N 1 1 589.091 7.109 50 0 KKAAMO CCCC[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000888088489 1071055839 /nfs/dbraw/zinc/05/58/39/1071055839.db2.gz BXGUDOIYUCZSJM-AGTITRIOSA-N 1 1 648.845 5.214 50 0 KKAAMO O=C(NCc1nc2ccccc2s1)c1ccc(-c2csc3ccccc32)nc1N1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000110186737 1071157988 /nfs/dbraw/zinc/15/79/88/1071157988.db2.gz HXJFTBKLSQSHDW-JOCHJYFZSA-N 1 1 597.810 6.176 50 0 KKAAMO C[C@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)Oc1cccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000011815203 1071232096 /nfs/dbraw/zinc/23/20/96/1071232096.db2.gz HJGWNCKSBZGGQQ-HSZRJFAPSA-N 1 1 527.640 5.439 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3cn4ccsc4n3)C2)c1)Cc1ccc2ncccc2c1 ZINC000012246357 1071240200 /nfs/dbraw/zinc/24/02/00/1071240200.db2.gz JVKNKOPNXQFBIQ-DEOSSOPVSA-N 1 1 525.678 5.507 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c(OC)c1 ZINC000230011459 1071247904 /nfs/dbraw/zinc/24/79/04/1071247904.db2.gz NIVHIMSOWHCRJM-XWSGIVAFSA-N 1 1 570.645 5.994 50 0 KKAAMO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCc3c[nH]c4ccccc34)C[N@@H+](Cc3ccc4ccccc4c3)C2)cn1 ZINC000200550254 1071290520 /nfs/dbraw/zinc/29/05/20/1071290520.db2.gz MOUFYMNKZKGNHK-FREGXXQWSA-N 1 1 532.688 5.901 50 0 KKAAMO Cc1ccc(-n2c(=O)c(=Cc3ccc(C(C)(C)C)cc3)sc2=C(C#N)C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000254739607 1072874371 /nfs/dbraw/zinc/87/43/71/1072874371.db2.gz PIEPFQREALTEGM-UHFFFAOYSA-N 1 1 687.309 6.595 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2c(F)cccc2Cl)c(=O)n1-c1ccccc1F ZINC000254872621 1072887352 /nfs/dbraw/zinc/88/73/52/1072887352.db2.gz VQKHPGWOMZSBKP-UHFFFAOYSA-N 1 1 653.154 5.267 50 0 KKAAMO C[N@@H+](Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)c1)Cc1cccc2ncccc12 ZINC000014994857 1072894963 /nfs/dbraw/zinc/89/49/63/1072894963.db2.gz LRVLREOHUPIBEV-UHFFFAOYSA-N 1 1 531.660 5.941 50 0 KKAAMO C[N@H+](Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1)Cc1cccc2ncccc12 ZINC000014994857 1072894971 /nfs/dbraw/zinc/89/49/71/1072894971.db2.gz LRVLREOHUPIBEV-UHFFFAOYSA-N 1 1 531.660 5.941 50 0 KKAAMO C[N@@H+](Cc1cccc(OC2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)CC2)c1)Cc1cccc2ncccc12 ZINC000014994857 1072894980 /nfs/dbraw/zinc/89/49/80/1072894980.db2.gz LRVLREOHUPIBEV-UHFFFAOYSA-N 1 1 531.660 5.941 50 0 KKAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@@H]1CCCCN1C(=O)c1cccnc1 ZINC000014994689 1072895033 /nfs/dbraw/zinc/89/50/33/1072895033.db2.gz VWYQLENPFRIVBV-NDEPHWFRSA-N 1 1 532.660 5.015 50 0 KKAAMO COc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@H+]2CCC[C@H](C)C2)c(OC)c1 ZINC000019842440 1072897555 /nfs/dbraw/zinc/89/75/55/1072897555.db2.gz YMMLPGYLCXULKZ-NRFANRHFSA-N 1 1 532.637 5.027 50 0 KKAAMO C[C@H](c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019801970 193885511 /nfs/dbraw/zinc/88/55/11/193885511.db2.gz ZHBZMXGYDSCGCY-MRXNPFEDSA-N 1 1 512.333 8.335 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1Br ZINC000000635934 551506121 /nfs/dbraw/zinc/50/61/21/551506121.db2.gz NNSXIORANUKBPJ-ZEQRLZLVSA-N 1 1 505.347 5.401 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(F)cc2)cc1Br ZINC000000635938 551506126 /nfs/dbraw/zinc/50/61/26/551506126.db2.gz NNSXIORANUKBPJ-RPWUZVMVSA-N 1 1 505.347 5.401 50 0 KKAAMO COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3n2)cc1 ZINC000000845015 551548070 /nfs/dbraw/zinc/54/80/70/551548070.db2.gz RZFJKHWWXUQVJU-UHFFFAOYSA-N 1 1 571.603 5.971 50 0 KKAAMO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc3c(c1)OCO3)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001214201 551626051 /nfs/dbraw/zinc/62/60/51/551626051.db2.gz WIMZUKKDKJOVEK-UFHPHHKVSA-N 1 1 589.618 5.820 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(O)c(OC)c2)cc1 ZINC000001850551 551715427 /nfs/dbraw/zinc/71/54/27/551715427.db2.gz XBXMGALIJPJZFM-MGBGTMOVSA-N 1 1 597.723 7.536 50 0 KKAAMO O=C(C[NH+]1CCCCCC1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCCC2 ZINC000002072938 551748123 /nfs/dbraw/zinc/74/81/23/551748123.db2.gz YEZLIFYHWQUGFH-UHFFFAOYSA-N 1 1 504.494 5.846 50 0 KKAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000002223382 551796398 /nfs/dbraw/zinc/79/63/98/551796398.db2.gz MKOVLHWHLGIGET-PMEHDDBTSA-N 1 1 504.627 5.172 50 0 KKAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000002223382 551796400 /nfs/dbraw/zinc/79/64/00/551796400.db2.gz MKOVLHWHLGIGET-PMEHDDBTSA-N 1 1 504.627 5.172 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2cc(Br)ccc2OC)cc1 ZINC000002249321 551800886 /nfs/dbraw/zinc/80/08/86/551800886.db2.gz JRPXZAYVUKWIJZ-LOSJGSFVSA-N 1 1 517.383 5.271 50 0 KKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000002714195 552161178 /nfs/dbraw/zinc/16/11/78/552161178.db2.gz UQHLGUXZKSXYAO-UHFFFAOYSA-N 1 1 533.985 7.086 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)C[N@H+]3C)c1 ZINC000002912091 552214861 /nfs/dbraw/zinc/21/48/61/552214861.db2.gz VRZXJDFERVRAHU-HFFCRWFYSA-N 1 1 518.632 6.413 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@H](C(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)C[N@@H+]3C)c1 ZINC000002912091 552214863 /nfs/dbraw/zinc/21/48/63/552214863.db2.gz VRZXJDFERVRAHU-HFFCRWFYSA-N 1 1 518.632 6.413 50 0 KKAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)c(Br)c2)c1 ZINC000002916801 552217726 /nfs/dbraw/zinc/21/77/26/552217726.db2.gz GHTZUMZCMMNKHH-JWQCQUIFSA-N 1 1 517.383 5.271 50 0 KKAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000002916822 552217732 /nfs/dbraw/zinc/21/77/32/552217732.db2.gz ZSLGNXDKVPFTKK-RPWUZVMVSA-N 1 1 505.361 5.584 50 0 KKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000002964720 552235860 /nfs/dbraw/zinc/23/58/60/552235860.db2.gz XXKQWUATMVKOED-UHFFFAOYSA-N 1 1 586.132 6.969 50 0 KKAAMO CC(C)[N@@H+](CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2)Cc1ccccc1 ZINC000003054466 552279742 /nfs/dbraw/zinc/27/97/42/552279742.db2.gz OGXVQDSPARGRFT-UHFFFAOYSA-N 1 1 553.703 6.778 50 0 KKAAMO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCC[N@H+](C)Cc4ccccc4)cc3)C2=O)c1 ZINC000003061349 552282411 /nfs/dbraw/zinc/28/24/11/552282411.db2.gz CEJMZHJXPACUJO-WEMUVCOSSA-N 1 1 547.724 6.537 50 0 KKAAMO O=C(c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000003061960 552282962 /nfs/dbraw/zinc/28/29/62/552282962.db2.gz PGUPRMQSYMLRLL-LDLOPFEMSA-N 1 1 562.135 5.758 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000003062670 552283693 /nfs/dbraw/zinc/28/36/93/552283693.db2.gz LJWIEDMDKQYRFI-YQYKVWLJSA-N 1 1 557.735 6.890 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1=O ZINC000003063271 552283901 /nfs/dbraw/zinc/28/39/01/552283901.db2.gz SQYMKXGIKMRADT-ONDFPLASSA-N 1 1 553.772 6.773 50 0 KKAAMO COc1ccc(C[C@H]2c3c(cc(OC)c(OCc4ccccc4)c3OC)CC[N@@H+]2C)cc1OCc1ccccc1 ZINC000003124414 552291297 /nfs/dbraw/zinc/29/12/97/552291297.db2.gz CURDJXSTACNZNJ-NDEPHWFRSA-N 1 1 539.672 6.642 50 0 KKAAMO CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+][C@@H](Cc2ccccc2)c2nc(-c3ccccc3)no2)cc1 ZINC000003384373 552378772 /nfs/dbraw/zinc/37/87/72/552378772.db2.gz UCDNHFUYZOANNS-VEEOACQBSA-N 1 1 533.672 6.376 50 0 KKAAMO Fc1ccc(-c2csc(N3CC[NH+](CCCN4c5ccccc5Sc5ccc(C(F)(F)F)cc54)CC3)n2)cc1 ZINC000003671850 552412499 /nfs/dbraw/zinc/41/24/99/552412499.db2.gz HQGSZKXMCFWJQD-UHFFFAOYSA-N 1 1 570.681 7.783 50 0 KKAAMO CC1CC[NH+](Cc2c(OC(=O)c3ccc(C(C)(C)C)cc3)ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc32)CC1 ZINC000006166870 552557509 /nfs/dbraw/zinc/55/75/09/552557509.db2.gz LOEIGXOUMYRVRX-UHFFFAOYSA-N 1 1 628.087 9.006 50 0 KKAAMO CCOc1cc(CNc2ccc([NH+]3CCCCC3)cc2)cc(Br)c1OCC(=O)NC(C)(C)C ZINC000008442431 553043684 /nfs/dbraw/zinc/04/36/84/553043684.db2.gz WFIGXOUDPQRRAD-UHFFFAOYSA-N 1 1 518.496 5.744 50 0 KKAAMO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008444493 553050620 /nfs/dbraw/zinc/05/06/20/553050620.db2.gz OOWMZIXBQOPRRY-VPUSJEBWSA-N 1 1 624.505 6.853 50 0 KKAAMO O=C(/C=C/c1ccco1)Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000008722172 553129962 /nfs/dbraw/zinc/12/99/62/553129962.db2.gz NUSSGPBOBKKPPB-DBQZHCBRSA-N 1 1 511.603 5.372 50 0 KKAAMO O=C(/C=C/c1ccco1)Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000008722172 553129964 /nfs/dbraw/zinc/12/99/64/553129964.db2.gz NUSSGPBOBKKPPB-DBQZHCBRSA-N 1 1 511.603 5.372 50 0 KKAAMO CCOc1ccc(C[C@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[N@@H+](C)C(C)C)cc1OCC ZINC000008817900 553153092 /nfs/dbraw/zinc/15/30/92/553153092.db2.gz YLHJZWGLPWCDJK-VWLOTQADSA-N 1 1 512.691 5.290 50 0 biogenic KKAAMO Cc1ccc(NC(=O)N(CCC[N@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1C ZINC000008877646 553175488 /nfs/dbraw/zinc/17/54/88/553175488.db2.gz GENHWYLJAHPSDT-UHFFFAOYSA-N 1 1 521.149 7.495 50 0 KKAAMO CCOc1ccc(NC(=O)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000008878085 553175581 /nfs/dbraw/zinc/17/55/81/553175581.db2.gz KPVCFGPFNDVYQF-UHFFFAOYSA-N 1 1 537.148 7.277 50 0 KKAAMO COc1ccc([C@@H](CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000008917528 553187179 /nfs/dbraw/zinc/18/71/79/553187179.db2.gz DEYYBBSAJFECQI-GGXMVOPNSA-N 1 1 508.618 5.882 50 0 KKAAMO COc1ccc([C@H](CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000008917527 553187202 /nfs/dbraw/zinc/18/72/02/553187202.db2.gz DEYYBBSAJFECQI-WNJJXGMVSA-N 1 1 508.618 5.882 50 0 KKAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432875 553262982 /nfs/dbraw/zinc/26/29/82/553262982.db2.gz RJZOUPMTYJYFRL-WUFINQPMSA-N 1 1 535.710 5.219 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009433321 553263137 /nfs/dbraw/zinc/26/31/37/553263137.db2.gz NQXXNRNWPQCWOE-URLMMPGGSA-N 1 1 533.738 6.229 50 0 KKAAMO CCCC[N@@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433330 553263166 /nfs/dbraw/zinc/26/31/66/553263166.db2.gz ALWRIKVPWYIDRQ-RRPNLBNLSA-N 1 1 507.700 5.696 50 0 KKAAMO O=C(NCC[N@@H+](Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433694 553263310 /nfs/dbraw/zinc/26/33/10/553263310.db2.gz HPUUZLKCBMJUKJ-FQLXRVMXSA-N 1 1 531.722 6.125 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433504 553263318 /nfs/dbraw/zinc/26/33/18/553263318.db2.gz GJBGVNWKVVQVRR-FQLXRVMXSA-N 1 1 515.723 6.000 50 0 KKAAMO Cc1ccc(CN2c3cc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)ccc3Sc3ccccc3C2=O)cc1 ZINC000009546394 553278345 /nfs/dbraw/zinc/27/83/45/553278345.db2.gz DSQMYDWGVLZLFI-PSWAGMNNSA-N 1 1 527.734 6.404 50 0 KKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000009678436 553295597 /nfs/dbraw/zinc/29/55/97/553295597.db2.gz CFHYUWWCZCVLLA-IBGZPJMESA-N 1 1 524.061 6.005 50 0 KKAAMO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCC[N@H+](Cc2ccccc2)C(C)C)CC1 ZINC000009731842 553302700 /nfs/dbraw/zinc/30/27/00/553302700.db2.gz FMHXOCXMXICYSD-UHFFFAOYSA-N 1 1 509.094 5.542 50 0 KKAAMO Cc1oc(-c2cccc(Cl)c2)nc1CN1CCC(C(=O)NCC[N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000009731842 553302702 /nfs/dbraw/zinc/30/27/02/553302702.db2.gz FMHXOCXMXICYSD-UHFFFAOYSA-N 1 1 509.094 5.542 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000011026234 553338784 /nfs/dbraw/zinc/33/87/84/553338784.db2.gz CEQXKPHDCULFJC-UHFFFAOYSA-N 1 1 614.818 6.620 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000011026234 553338786 /nfs/dbraw/zinc/33/87/86/553338786.db2.gz CEQXKPHDCULFJC-UHFFFAOYSA-N 1 1 614.818 6.620 50 0 KKAAMO C[N@@H+](Cc1ccc(OC2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000011913428 553349130 /nfs/dbraw/zinc/34/91/30/553349130.db2.gz FSDDWSLLRYXCFK-UHFFFAOYSA-N 1 1 500.042 6.204 50 0 KKAAMO O=C(/C=C/c1cccs1)N1CCC(Oc2ccc(C[NH+]3CCN(c4ccccc4F)CC3)cc2)CC1 ZINC000012218893 553354519 /nfs/dbraw/zinc/35/45/19/553354519.db2.gz UUCZYXHNTHOZQM-VAWYXSNFSA-N 1 1 505.659 5.293 50 0 KKAAMO COc1cccc(CCNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000012513591 553382597 /nfs/dbraw/zinc/38/25/97/553382597.db2.gz UQQCYVSBACLNDG-JOCHJYFZSA-N 1 1 516.638 5.061 50 0 KKAAMO Cc1ccccc1N=[P@]1(N2CC[NH+](C)CC2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 ZINC000012524644 553383556 /nfs/dbraw/zinc/38/35/56/553383556.db2.gz JAIKEZRIVUZTRK-IYXPCKTQSA-N 1 1 524.653 7.050 50 0 KKAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccco1 ZINC000012731054 553420417 /nfs/dbraw/zinc/42/04/17/553420417.db2.gz WNMKUBBMOTULDF-DEOSSOPVSA-N 1 1 515.013 5.605 50 0 KKAAMO O[C@@H](COc1ccc(SC(F)(F)F)cc1)C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000013463773 553459536 /nfs/dbraw/zinc/45/95/36/553459536.db2.gz LZUXBLDZUBOING-OAHLLOKOSA-N 1 1 503.999 5.124 50 0 KKAAMO O=c1c(CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc2cc3c(cc2n1CC[NH+]1CCCCC1)OCO3 ZINC000014882492 553521004 /nfs/dbraw/zinc/52/10/04/553521004.db2.gz AOXMIEVHXXMWRO-PMERELPUSA-N 1 1 530.068 5.749 50 0 KKAAMO O=c1c(CN[C@H](c2ccccc2)c2ccc(Cl)cc2)cc2cc3c(cc2n1CC[NH+]1CCCCC1)OCO3 ZINC000014882493 553521050 /nfs/dbraw/zinc/52/10/50/553521050.db2.gz AOXMIEVHXXMWRO-SSEXGKCCSA-N 1 1 530.068 5.749 50 0 KKAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)c4ccc(-c5cccc(F)c5)cc4)CC3)cc2)cn1 ZINC000014984667 553523591 /nfs/dbraw/zinc/52/35/91/553523591.db2.gz LYZMPASCGIZUGO-UHFFFAOYSA-N 1 1 512.629 5.542 50 0 KKAAMO Cc1cc(C)n(CC(=O)N2CCC[C@@H](COc3ccc(C[N@H+](C)Cc4cccc5ccccc54)cc3)C2)n1 ZINC000014995847 553524393 /nfs/dbraw/zinc/52/43/93/553524393.db2.gz XUBHJZLRKMJSAM-HHHXNRCGSA-N 1 1 510.682 5.603 50 0 KKAAMO COc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000015002373 553525013 /nfs/dbraw/zinc/52/50/13/553525013.db2.gz RJHAMKMYIAXCGZ-NRFANRHFSA-N 1 1 502.611 5.018 50 0 KKAAMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946682 553544685 /nfs/dbraw/zinc/54/46/85/553544685.db2.gz DVNVDVJYBUKIHL-GHTZIAJQSA-N 1 1 516.151 7.008 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946682 553544687 /nfs/dbraw/zinc/54/46/87/553544687.db2.gz DVNVDVJYBUKIHL-GHTZIAJQSA-N 1 1 516.151 7.008 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@H]3C)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000015946714 553544702 /nfs/dbraw/zinc/54/47/02/553544702.db2.gz MSOJOUOOUUYXGI-MOPGFXCFSA-N 1 1 527.731 5.982 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCCC[C@H]3C)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000015946714 553544704 /nfs/dbraw/zinc/54/47/04/553544704.db2.gz MSOJOUOOUUYXGI-MOPGFXCFSA-N 1 1 527.731 5.982 50 0 KKAAMO O=C(Oc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c1)c1cccc(F)c1 ZINC000015947332 553545051 /nfs/dbraw/zinc/54/50/51/553545051.db2.gz UUVZIVUVGDMSQU-SANMLTNESA-N 1 1 513.594 6.094 50 0 KKAAMO O=C(Oc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c1)c1cccc(F)c1 ZINC000015947332 553545053 /nfs/dbraw/zinc/54/50/53/553545053.db2.gz UUVZIVUVGDMSQU-SANMLTNESA-N 1 1 513.594 6.094 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000015947275 553545155 /nfs/dbraw/zinc/54/51/55/553545155.db2.gz PCJZLEHPKDVDPF-OAQYLSRUSA-N 1 1 502.423 6.081 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016038076 553552611 /nfs/dbraw/zinc/55/26/11/553552611.db2.gz LAYVABPTMMISSK-HFLBTKGNSA-N 1 1 519.988 5.647 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016038076 553552612 /nfs/dbraw/zinc/55/26/12/553552612.db2.gz LAYVABPTMMISSK-HFLBTKGNSA-N 1 1 519.988 5.647 50 0 KKAAMO Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C[N@H+]4CCc5ccccc5C4)cc3)cc2)c1 ZINC000016291043 553558791 /nfs/dbraw/zinc/55/87/91/553558791.db2.gz HOERIORFZJNUCV-UHFFFAOYSA-N 1 1 525.674 5.915 50 0 KKAAMO O=C1CS[C@]2(c3ccccc3N(C[N@@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc2ccccc2c1 ZINC000016478355 553565915 /nfs/dbraw/zinc/56/59/15/553565915.db2.gz CBMIDXWBWFLPLG-NJHZRGNWSA-N 1 1 505.643 5.566 50 0 KKAAMO O=C1CS[C@]2(c3ccccc3N(C[N@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc2ccccc2c1 ZINC000016478355 553565919 /nfs/dbraw/zinc/56/59/19/553565919.db2.gz CBMIDXWBWFLPLG-NJHZRGNWSA-N 1 1 505.643 5.566 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699495 553616218 /nfs/dbraw/zinc/61/62/18/553616218.db2.gz GQKLNWUFARWHSN-MRPYTORDSA-N 1 1 535.644 5.107 50 0 biogenic KKAAMO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[NH2+]CCN(CC)CC ZINC000019818459 553618998 /nfs/dbraw/zinc/61/89/98/553618998.db2.gz ZEMGBJSGAKGUTD-UHFFFAOYSA-N 1 1 502.453 5.010 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O)C1CCCCC1 ZINC000020242829 553627764 /nfs/dbraw/zinc/62/77/64/553627764.db2.gz MUJWCGZEJNELMR-KXQOOQHDSA-N 1 1 529.706 5.398 50 0 KKAAMO CCn1c2ccccc2c2cc(C[NH+]3CCN(C(=O)COc4ccc(Br)cc4)CC3)ccc21 ZINC000019889468 553629784 /nfs/dbraw/zinc/62/97/84/553629784.db2.gz AUOAHZSTQGNPSZ-UHFFFAOYSA-N 1 1 506.444 5.300 50 0 KKAAMO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)C[C@H](/C=C/c1ccccc1)C2 ZINC000019921506 553633572 /nfs/dbraw/zinc/63/35/72/553633572.db2.gz PNKVFBANQXCBHX-YJUNHESCSA-N 1 1 514.673 6.155 50 0 KKAAMO Cc1c2cc(Cl)ccc2[nH]c1C(=O)NC[C@H](C)Oc1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000020321803 553637820 /nfs/dbraw/zinc/63/78/20/553637820.db2.gz MDHWMBROKSBYQP-NRFANRHFSA-N 1 1 532.088 5.040 50 0 KKAAMO O=c1c2c3c(sc2nc(SCCc2ccccc2)n1C1CCCCC1)C[N@H+](Cc1ccccc1)CC3 ZINC000019940164 553638149 /nfs/dbraw/zinc/63/81/49/553638149.db2.gz UKGVVHMEYRDMAV-UHFFFAOYSA-N 1 1 515.748 6.856 50 0 KKAAMO O=c1c2c3c(sc2nc(SCCc2ccccc2)n1C1CCCCC1)C[N@@H+](Cc1ccccc1)CC3 ZINC000019940164 553638151 /nfs/dbraw/zinc/63/81/51/553638151.db2.gz UKGVVHMEYRDMAV-UHFFFAOYSA-N 1 1 515.748 6.856 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2C2CCCCC2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000019940141 553638181 /nfs/dbraw/zinc/63/81/81/553638181.db2.gz YWMBTJGIXBPWRQ-UHFFFAOYSA-N 1 1 531.747 6.822 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2C2CCCCC2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000019940141 553638183 /nfs/dbraw/zinc/63/81/83/553638183.db2.gz YWMBTJGIXBPWRQ-UHFFFAOYSA-N 1 1 531.747 6.822 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+](C)C4CCCCC4)cc3)C2=O)c1 ZINC000020355191 553640822 /nfs/dbraw/zinc/64/08/22/553640822.db2.gz PZQKFFKTKXZXHF-AWSUPERCSA-N 1 1 537.704 6.346 50 0 KKAAMO COc1cc2[nH]c3c(ncnc3N3CC[NH+]([C@@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c2cc1OC ZINC000020357495 553642706 /nfs/dbraw/zinc/64/27/06/553642706.db2.gz VNFLIKAMASYRKS-NDEPHWFRSA-N 1 1 514.029 5.693 50 0 KKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cccc(C)c3n2)cc1C ZINC000020418345 553647714 /nfs/dbraw/zinc/64/77/14/553647714.db2.gz RIOIRJYSNBWMQH-UHFFFAOYSA-N 1 1 525.696 7.374 50 0 KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2)N(C)CC4 ZINC000073331412 553653210 /nfs/dbraw/zinc/65/32/10/553653210.db2.gz HGNHIFJNOKGSKI-FQLXRVMXSA-N 1 1 608.735 6.859 50 0 endogenous,in-man KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000073331412 553653213 /nfs/dbraw/zinc/65/32/13/553653213.db2.gz HGNHIFJNOKGSKI-FQLXRVMXSA-N 1 1 608.735 6.859 50 0 endogenous,in-man KKAAMO O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509542 553668416 /nfs/dbraw/zinc/66/84/16/553668416.db2.gz QXALUISYQYDBJE-UHFFFAOYSA-N 1 1 519.048 6.498 50 0 KKAAMO Cc1ccc(S(=O)(=O)N2CCC([N@@H+]3CCc4c(c5cc(C)ccc5n4CCc4ccccn4)C3)CC2)cc1 ZINC000085392266 553678881 /nfs/dbraw/zinc/67/88/81/553678881.db2.gz YQONACAAYQKUNB-UHFFFAOYSA-N 1 1 528.722 5.107 50 0 KKAAMO Cc1ccc(S(=O)(=O)N2CCC([N@H+]3CCc4c(c5cc(C)ccc5n4CCc4ccccn4)C3)CC2)cc1 ZINC000085392266 553678883 /nfs/dbraw/zinc/67/88/83/553678883.db2.gz YQONACAAYQKUNB-UHFFFAOYSA-N 1 1 528.722 5.107 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000020686303 553689321 /nfs/dbraw/zinc/68/93/21/553689321.db2.gz YWGYKJYUCFXMNB-WOXYUUSFSA-N 1 1 520.629 5.957 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000020686303 553689326 /nfs/dbraw/zinc/68/93/26/553689326.db2.gz YWGYKJYUCFXMNB-WOXYUUSFSA-N 1 1 520.629 5.957 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc2c(c1)N=C(C)c1cc(Cl)ccc1S2)Cc1ccccc1 ZINC000020726972 553690636 /nfs/dbraw/zinc/69/06/36/553690636.db2.gz DSDFCOGNWYWAHY-UHFFFAOYSA-N 1 1 506.115 7.368 50 0 KKAAMO C[N@@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000020727878 553690970 /nfs/dbraw/zinc/69/09/70/553690970.db2.gz SGZQELSKEWPZRW-UQQQWYQISA-N 1 1 525.596 5.433 50 0 KKAAMO CCCC[N@@H+](C)CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020727935 553691026 /nfs/dbraw/zinc/69/10/26/553691026.db2.gz SKPSAVHGJZSWRI-QJOMJCCJSA-N 1 1 505.606 5.423 50 0 KKAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732230 553692159 /nfs/dbraw/zinc/69/21/59/553692159.db2.gz AMHQYYJGLZOVDO-JBASAIQMSA-N 1 1 511.666 5.814 50 0 KKAAMO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)cc3)C2=O)cc1 ZINC000020732158 553692192 /nfs/dbraw/zinc/69/21/92/553692192.db2.gz JXLHZJOGWODNPD-JEZFPDEOSA-N 1 1 523.677 5.814 50 0 KKAAMO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc3)C2=O)c1 ZINC000020735325 553693303 /nfs/dbraw/zinc/69/33/03/553693303.db2.gz YTRMNNRPUFGYGT-YBMXKYEKSA-N 1 1 525.718 6.279 50 0 KKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020735287 553693331 /nfs/dbraw/zinc/69/33/31/553693331.db2.gz UTDVJYZONKWYOK-DYIFSOBNSA-N 1 1 511.691 5.889 50 0 KKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)COc2ccccc2F)CC1 ZINC000021796663 553717456 /nfs/dbraw/zinc/71/74/56/553717456.db2.gz NJLVKJMWSLDOQZ-UHFFFAOYSA-N 1 1 521.596 5.263 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccco4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000096277415 553734417 /nfs/dbraw/zinc/73/44/17/553734417.db2.gz INUHJOIXQCDNCI-UHFFFAOYSA-N 1 1 512.654 5.610 50 0 KKAAMO CCOc1ccc([C@H](CC(=O)N2CC[NH+](CC)CC2)c2cn(Cc3ccc(OC)cc3)c3ccccc23)cc1 ZINC000096278627 553735472 /nfs/dbraw/zinc/73/54/72/553735472.db2.gz YDQQYFVIFFTKSP-PMERELPUSA-N 1 1 525.693 5.783 50 0 KKAAMO CN(Cc1ccccc1)C(=O)c1ccc(CSc2nc(N3CC[NH+](C)CC3)cc(C(C)(C)C)n2)cc1 ZINC000096280031 553736464 /nfs/dbraw/zinc/73/64/64/553736464.db2.gz JQCHFLDQPKLXSD-UHFFFAOYSA-N 1 1 503.716 5.090 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)CC1 ZINC000096287220 553738065 /nfs/dbraw/zinc/73/80/65/553738065.db2.gz DDNXMHKXRJRXAW-UHFFFAOYSA-N 1 1 519.074 5.053 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2-c2ccccc2F)CC1 ZINC000096289858 553742258 /nfs/dbraw/zinc/74/22/58/553742258.db2.gz GURMQWNPIPAHGY-UHFFFAOYSA-N 1 1 515.658 5.067 50 0 KKAAMO O=C(NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cccs1 ZINC000097940392 553764967 /nfs/dbraw/zinc/76/49/67/553764967.db2.gz BXQGRAALLJCTIN-UHFFFAOYSA-N 1 1 540.714 5.422 50 0 KKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cc(Cl)ccc3n2)s1 ZINC000097945884 553775202 /nfs/dbraw/zinc/77/52/02/553775202.db2.gz JXFJPKKJRQPMQP-UHFFFAOYSA-N 1 1 538.116 7.473 50 0 KKAAMO Cc1ccc(C(=O)N2CC[NH+](CCCOC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1C ZINC000023427186 553775388 /nfs/dbraw/zinc/77/53/88/553775388.db2.gz CLXUFEIDOFSAJI-UHFFFAOYSA-N 1 1 511.493 6.564 50 0 KKAAMO O=C([C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097948925 553797912 /nfs/dbraw/zinc/79/79/12/553797912.db2.gz DVIJIKHIHACNDU-SSEXGKCCSA-N 1 1 617.193 6.999 50 0 KKAAMO CCOc1cccc(-c2cccc(-c3nc(C[N@H+]4CCC[C@@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c1 ZINC000025155768 553798802 /nfs/dbraw/zinc/79/88/02/553798802.db2.gz OTAQGNADWZKEKY-MHZLTWQESA-N 1 1 538.801 9.018 50 0 KKAAMO O=C(c1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097949053 553798990 /nfs/dbraw/zinc/79/89/90/553798990.db2.gz MLRSUYUBCRHBBV-UHFFFAOYSA-N 1 1 634.824 6.781 50 0 KKAAMO O=C(c1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097949051 553799051 /nfs/dbraw/zinc/79/90/51/553799051.db2.gz XTDDDWPZYVZRPI-UHFFFAOYSA-N 1 1 634.824 6.781 50 0 KKAAMO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccc(C)c(C)c4)nc4ccc(Br)cc43)CC2)cc1 ZINC000097949327 553801383 /nfs/dbraw/zinc/80/13/83/553801383.db2.gz UHKXHBAHLNMZIA-UHFFFAOYSA-N 1 1 542.521 6.802 50 0 KKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000097949336 553801725 /nfs/dbraw/zinc/80/17/25/553801725.db2.gz ZTECMWCYOXDOMN-UHFFFAOYSA-N 1 1 556.548 7.228 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1OC ZINC000025575519 553810422 /nfs/dbraw/zinc/81/04/22/553810422.db2.gz QDPZSALRNGWBHN-DQEYMECFSA-N 1 1 517.383 5.271 50 0 KKAAMO Cc1ccc(C(=O)Oc2ccc3c(c2OC(=O)c2ccc(C)cc2)-c2cccc4c2[C@H](C3)[N@@H+](C)CC4)cc1 ZINC000027472958 553825835 /nfs/dbraw/zinc/82/58/35/553825835.db2.gz MPXVMWCGUBXTFN-MHZLTWQESA-N 1 1 503.598 6.494 50 0 biogenic KKAAMO COCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)NCc3ccco3)cc2)n1 ZINC000097955969 553835537 /nfs/dbraw/zinc/83/55/37/553835537.db2.gz DITZCNRUIISWBP-WEVVVXLNSA-N 1 1 569.731 5.274 50 0 KKAAMO COC(=O)C1(C(=O)OC)[C@H]2c3ccccc3C=C[N@@H+]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 ZINC000097956263 553837319 /nfs/dbraw/zinc/83/73/19/553837319.db2.gz XZLDJIMNFYMIEX-DGWZTRNLSA-N 1 1 536.411 5.702 50 0 KKAAMO Cc1nc(SCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097956410 553838792 /nfs/dbraw/zinc/83/87/92/553838792.db2.gz VROTZRCRXINVAK-HLBRERCFSA-N 1 1 557.764 5.130 50 0 KKAAMO COCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)NCC(C)C)cc2)n1 ZINC000097956409 553838796 /nfs/dbraw/zinc/83/87/96/553838796.db2.gz BXHWWBZIMFBTFO-JXMROGBWSA-N 1 1 545.753 5.137 50 0 KKAAMO CC[N@H+]1CCN2c3cccc(Cl)c3CC3(C(=O)N(c4ccc(C)cc4)C(=O)N(c4ccc(C)cc4)C3=O)[C@@H]2C1 ZINC000097956717 553841074 /nfs/dbraw/zinc/84/10/74/553841074.db2.gz HHIDFPDEMOFTKO-MHZLTWQESA-N 1 1 543.067 5.210 50 0 KKAAMO Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3n2)cc1C ZINC000029491187 553844991 /nfs/dbraw/zinc/84/49/91/553844991.db2.gz PKSRCQFTKMQJQZ-UHFFFAOYSA-N 1 1 569.631 6.579 50 0 KKAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](C)C4)cc2)C[C@@H](C)O1 ZINC000097963390 553889810 /nfs/dbraw/zinc/88/98/10/553889810.db2.gz RCMMOAPBPSYXIP-QZTJIDSGSA-N 1 1 582.773 5.063 50 0 KKAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](C)C4)cc2)C[C@@H](C)O1 ZINC000097963390 553889812 /nfs/dbraw/zinc/88/98/12/553889812.db2.gz RCMMOAPBPSYXIP-QZTJIDSGSA-N 1 1 582.773 5.063 50 0 KKAAMO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097963487 553891140 /nfs/dbraw/zinc/89/11/40/553891140.db2.gz YAAHCCHLJACHBJ-UHFFFAOYSA-N 1 1 672.942 8.138 50 0 KKAAMO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097963487 553891141 /nfs/dbraw/zinc/89/11/41/553891141.db2.gz YAAHCCHLJACHBJ-UHFFFAOYSA-N 1 1 672.942 8.138 50 0 KKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)/C=C/c2ccc(F)cc2)CC1 ZINC000097965099 553902792 /nfs/dbraw/zinc/90/27/92/553902792.db2.gz COZSBOKIMMQEQI-DTQAZKPQSA-N 1 1 533.607 5.597 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671664 553982494 /nfs/dbraw/zinc/98/24/94/553982494.db2.gz PQQHCQBBIKIGRA-JHOUSYSJSA-N 1 1 504.674 6.617 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671661 553982584 /nfs/dbraw/zinc/98/25/84/553982584.db2.gz PQQHCQBBIKIGRA-SAIUNTKASA-N 1 1 504.674 6.617 50 0 KKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4cccc(C(F)(F)F)c4)CC3)nc2)cc1 ZINC000034681637 553985199 /nfs/dbraw/zinc/98/51/99/553985199.db2.gz DBWVWYZHJPVXCL-UHFFFAOYSA-N 1 1 510.604 6.363 50 0 KKAAMO Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)c1 ZINC000034683728 553985997 /nfs/dbraw/zinc/98/59/97/553985997.db2.gz WOEJOHKXDJFPJO-UHFFFAOYSA-N 1 1 506.565 6.013 50 0 KKAAMO Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683927 553986265 /nfs/dbraw/zinc/98/62/65/553986265.db2.gz HLKITUXSOXNKBQ-UHFFFAOYSA-N 1 1 506.565 6.013 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685545 553986731 /nfs/dbraw/zinc/98/67/31/553986731.db2.gz JTRWYHLIOZQWIU-CONSDPRKSA-N 1 1 512.625 6.382 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685545 553986727 /nfs/dbraw/zinc/98/67/27/553986727.db2.gz JTRWYHLIOZQWIU-CONSDPRKSA-N 1 1 512.625 6.382 50 0 KKAAMO CCOC(=O)c1c2c(sc1Nc1nc3ccccc3nc1N1CC[NH+](C/C=C/c3ccccc3)CC1)CCCC2 ZINC000097980447 553988774 /nfs/dbraw/zinc/98/87/74/553988774.db2.gz XQNCTFGRNAMGDP-JLHYYAGUSA-N 1 1 553.732 6.326 50 0 KKAAMO COc1cc(C[N@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3F)[C@@H](c3ccccc3)C2)cc(OC)c1 ZINC000034698965 553992110 /nfs/dbraw/zinc/99/21/10/553992110.db2.gz ZXOFJOFVHPIAAQ-VAVYLYDRSA-N 1 1 504.646 5.857 50 0 KKAAMO COc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034699144 553992271 /nfs/dbraw/zinc/99/22/71/553992271.db2.gz DVJQUUTVKFKJNJ-RBJSKKJNSA-N 1 1 528.590 6.620 50 0 KKAAMO Cc1cc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)oc1C ZINC000034699164 553992292 /nfs/dbraw/zinc/99/22/92/553992292.db2.gz RUPCVIAPEOZQPW-KCWPFWIISA-N 1 1 516.579 6.821 50 0 KKAAMO COc1cccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034699158 553992357 /nfs/dbraw/zinc/99/23/57/553992357.db2.gz XUOSCCOZUPEBSV-RBJSKKJNSA-N 1 1 528.590 6.620 50 0 KKAAMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699360 553992636 /nfs/dbraw/zinc/99/26/36/553992636.db2.gz YIPQTEYEQKRBKX-RPLLCQBOSA-N 1 1 514.563 6.117 50 0 KKAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000097981468 553994178 /nfs/dbraw/zinc/99/41/78/553994178.db2.gz OURKDNVLOVJUDH-JHOIVXPLSA-N 1 1 573.568 6.934 50 0 KKAAMO Cc1cc([C@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716819 553995696 /nfs/dbraw/zinc/99/56/96/553995696.db2.gz UXUMWYGVNIKARA-WUFINQPMSA-N 1 1 520.092 5.738 50 0 KKAAMO O=C(c1ccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000034760951 554001644 /nfs/dbraw/zinc/00/16/44/554001644.db2.gz VFSKUOQQXLWTCQ-ITYLOYPMSA-N 1 1 515.610 5.020 50 0 KKAAMO O=[P@](/C=C(/Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097983626 554010619 /nfs/dbraw/zinc/01/06/19/554010619.db2.gz ZSFPVGLXPLEPQB-IEPGDLOPSA-N 1 1 573.504 9.147 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000034829752 554012737 /nfs/dbraw/zinc/01/27/37/554012737.db2.gz JWQYFHKDUTVCAY-WVXBCFDCSA-N 1 1 529.750 5.675 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000034829752 554012742 /nfs/dbraw/zinc/01/27/42/554012742.db2.gz JWQYFHKDUTVCAY-WVXBCFDCSA-N 1 1 529.750 5.675 50 0 KKAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830409 554015808 /nfs/dbraw/zinc/01/58/08/554015808.db2.gz QDGPRDNTJMHSBT-NYULUDCUSA-N 1 1 509.760 5.670 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830490 554016194 /nfs/dbraw/zinc/01/61/94/554016194.db2.gz MTJLHYJHKWMQOD-PMERELPUSA-N 1 1 533.713 5.552 50 0 KKAAMO CCOC(=O)c1c2nc3ccccc3nc2n(CCC[NH+]2CCOCC2)c1NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000097984594 554017509 /nfs/dbraw/zinc/01/75/09/554017509.db2.gz IURPXXWBRUSMPJ-UHFFFAOYSA-N 1 1 543.668 5.033 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@@H](C(C)(C)C)C2 ZINC000034895302 554023721 /nfs/dbraw/zinc/02/37/21/554023721.db2.gz IWNNHZUAWFVNEH-UXHICEINSA-N 1 1 541.758 6.372 50 0 KKAAMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@@H](C(C)(C)C)C2 ZINC000034895302 554023717 /nfs/dbraw/zinc/02/37/17/554023717.db2.gz IWNNHZUAWFVNEH-UXHICEINSA-N 1 1 541.758 6.372 50 0 KKAAMO CCCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccc(Cl)c1 ZINC000034927640 554032528 /nfs/dbraw/zinc/03/25/28/554032528.db2.gz CLGBAPZXVFQIEW-FQLXRVMXSA-N 1 1 516.085 5.765 50 0 KKAAMO O=C(c1nn2c(c1Br)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097999763 554045602 /nfs/dbraw/zinc/04/56/02/554045602.db2.gz XCTSLVYLKJWXSJ-GGAORHGYSA-N 1 1 614.466 6.446 50 0 KKAAMO O=C(c1cnn2c1N[C@@H](c1ccc(Br)cc1)C=C2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097999975 554047469 /nfs/dbraw/zinc/04/74/69/554047469.db2.gz XOBSTJHLJXKKHV-AREMUKBSSA-N 1 1 622.489 6.763 50 0 KKAAMO O=c1c2c(nc(SCc3ccc(Cl)c(Cl)c3)n1Cc1ccccc1)sc1c2CC[N@@H+](Cc2ccccc2)C1 ZINC000097999994 554047812 /nfs/dbraw/zinc/04/78/12/554047812.db2.gz UHYAVZDUGINUBW-UHFFFAOYSA-N 1 1 578.590 7.664 50 0 KKAAMO O=c1c2c(nc(SCc3ccc(Cl)c(Cl)c3)n1Cc1ccccc1)sc1c2CC[N@H+](Cc2ccccc2)C1 ZINC000097999994 554047814 /nfs/dbraw/zinc/04/78/14/554047814.db2.gz UHYAVZDUGINUBW-UHFFFAOYSA-N 1 1 578.590 7.664 50 0 KKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(OC)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427154 554050561 /nfs/dbraw/zinc/05/05/61/554050561.db2.gz HNNGRNPAYCYPEG-NDEPHWFRSA-N 1 1 528.678 6.071 50 0 KKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(OC)cc2)C[N@H+](C)CC4)cc1 ZINC000035427154 554050564 /nfs/dbraw/zinc/05/05/64/554050564.db2.gz HNNGRNPAYCYPEG-NDEPHWFRSA-N 1 1 528.678 6.071 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCc2ccc(F)cc2)CC[N@@H+](C)C4)cc1 ZINC000035427194 554050985 /nfs/dbraw/zinc/05/09/85/554050985.db2.gz NAEJLWBACWRHLN-HHHXNRCGSA-N 1 1 516.642 5.489 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCc2ccc(F)cc2)CC[N@H+](C)C4)cc1 ZINC000035427194 554050982 /nfs/dbraw/zinc/05/09/82/554050982.db2.gz NAEJLWBACWRHLN-HHHXNRCGSA-N 1 1 516.642 5.489 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(F)c2)CC[N@H+](C)C4)cc1 ZINC000035427173 554051076 /nfs/dbraw/zinc/05/10/76/554051076.db2.gz NXGRHTWJKNVWQI-HHHXNRCGSA-N 1 1 516.642 6.120 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(F)c2)CC[N@@H+](C)C4)cc1 ZINC000035427173 554051078 /nfs/dbraw/zinc/05/10/78/554051078.db2.gz NXGRHTWJKNVWQI-HHHXNRCGSA-N 1 1 516.642 6.120 50 0 KKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000035427266 554051411 /nfs/dbraw/zinc/05/14/11/554051411.db2.gz IXJBNKGJWLKJCG-MHZLTWQESA-N 1 1 516.642 6.120 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@H+](C)CC4)cc1C ZINC000035427240 554051426 /nfs/dbraw/zinc/05/14/26/554051426.db2.gz TXPSVVUWKKJHNW-HHHXNRCGSA-N 1 1 500.643 6.420 50 0 KKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000035427266 554051408 /nfs/dbraw/zinc/05/14/08/554051408.db2.gz IXJBNKGJWLKJCG-MHZLTWQESA-N 1 1 516.642 6.120 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)cc1C ZINC000035427240 554051429 /nfs/dbraw/zinc/05/14/29/554051429.db2.gz TXPSVVUWKKJHNW-HHHXNRCGSA-N 1 1 500.643 6.420 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)c(Cl)c1 ZINC000035427250 554051478 /nfs/dbraw/zinc/05/14/78/554051478.db2.gz OCLBFYCMRLEDDQ-SANMLTNESA-N 1 1 521.061 6.765 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@H+](C)CC4)c(Cl)c1 ZINC000035427250 554051475 /nfs/dbraw/zinc/05/14/75/554051475.db2.gz OCLBFYCMRLEDDQ-SANMLTNESA-N 1 1 521.061 6.765 50 0 KKAAMO COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@H+](C)CC4)c1 ZINC000035427231 554051502 /nfs/dbraw/zinc/05/15/02/554051502.db2.gz WENXXHBFLXCYBR-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)c1 ZINC000035427231 554051498 /nfs/dbraw/zinc/05/14/98/554051498.db2.gz WENXXHBFLXCYBR-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2C)CC[N@H+](C)C4)c1 ZINC000035427305 554051792 /nfs/dbraw/zinc/05/17/92/554051792.db2.gz RTXRJCPOYQLSDJ-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2C)CC[N@@H+](C)C4)c1 ZINC000035427305 554051794 /nfs/dbraw/zinc/05/17/94/554051794.db2.gz RTXRJCPOYQLSDJ-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCc2ccc(F)cc2)CC[N@H+](C)C4)c1 ZINC000035427344 554051945 /nfs/dbraw/zinc/05/19/45/554051945.db2.gz QAAOBBFDEOIODW-MHZLTWQESA-N 1 1 516.642 5.489 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCc2ccc(F)cc2)CC[N@@H+](C)C4)c1 ZINC000035427344 554051950 /nfs/dbraw/zinc/05/19/50/554051950.db2.gz QAAOBBFDEOIODW-MHZLTWQESA-N 1 1 516.642 5.489 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccccc23)c2cc(OC)cc(OC)c2)CC1 ZINC000035471676 554056173 /nfs/dbraw/zinc/05/61/73/554056173.db2.gz WIEBYJGAQDEQOP-LJAQVGFWSA-N 1 1 511.666 5.393 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)CCC ZINC000035842626 554081311 /nfs/dbraw/zinc/08/13/11/554081311.db2.gz PHKMYNFGOVKARF-NDEPHWFRSA-N 1 1 505.747 6.300 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000035842617 554081398 /nfs/dbraw/zinc/08/13/98/554081398.db2.gz WUYSFEDQZKUSDD-LJAQVGFWSA-N 1 1 535.773 5.925 50 0 KKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000035842720 554081528 /nfs/dbraw/zinc/08/15/28/554081528.db2.gz NNRZRNBSQIBZPI-UHFFFAOYSA-N 1 1 522.520 7.204 50 0 KKAAMO CCOCCC[N@@H+](CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)Cc1ccc(C(F)(F)F)cc1 ZINC000035844927 554083214 /nfs/dbraw/zinc/08/32/14/554083214.db2.gz CLCRREVNSXKYAS-UHFFFAOYSA-N 1 1 516.604 6.107 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCc4ccccc4)C[C@H]23)cc1 ZINC000035871460 554085746 /nfs/dbraw/zinc/08/57/46/554085746.db2.gz SNBZYKGSARCDRH-XNMGPUDCSA-N 1 1 509.572 5.258 50 0 KKAAMO Cc1ccc([C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cn(C)c3ccccc23)cc1 ZINC000035891597 554090628 /nfs/dbraw/zinc/09/06/28/554090628.db2.gz AOHAKNPANGQFKG-YTTGMZPUSA-N 1 1 527.712 6.943 50 0 KKAAMO CC(C)CNC(=O)c1ccc(CSc2nc(-c3ccccc3)cc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)o1 ZINC000098015135 554096221 /nfs/dbraw/zinc/09/62/21/554096221.db2.gz NTRXRDMSHVZVDF-UHFFFAOYSA-N 1 1 585.730 5.466 50 0 KKAAMO COc1ccc(C[N@H+]2CCCN(c3nc(Cc4ccc(C)cc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035927814 554101182 /nfs/dbraw/zinc/10/11/82/554101182.db2.gz RYWNVQPYUXSAGF-UHFFFAOYSA-N 1 1 518.665 5.436 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccccc4)cnn(-c4ccccc4Cl)c3=O)c2)CC1 ZINC000098015662 554101255 /nfs/dbraw/zinc/10/12/55/554101255.db2.gz KLQYXOILCKYCDR-UHFFFAOYSA-N 1 1 530.028 5.200 50 0 KKAAMO C[C@@H]1CN(c2cc(Cl)nc(SCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)CCN1C(=O)c1cccc(F)c1 ZINC000098017334 554107646 /nfs/dbraw/zinc/10/76/46/554107646.db2.gz UWKGYEPQQWWYDA-RUZDIDTESA-N 1 1 659.231 5.646 50 0 KKAAMO O=C(C[C@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098021403 554118661 /nfs/dbraw/zinc/11/86/61/554118661.db2.gz WCVZEUFKRUBVIX-PMERELPUSA-N 1 1 534.103 7.277 50 0 KKAAMO CC[C@H](NC(=O)c1ccc(OC)cc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048279 554154259 /nfs/dbraw/zinc/15/42/59/554154259.db2.gz TVKFHZYFXNNXIB-WNJJXGMVSA-N 1 1 504.627 5.029 50 0 KKAAMO CC[C@H](NC(=O)c1ccc(OC)cc1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048279 554154255 /nfs/dbraw/zinc/15/42/55/554154255.db2.gz TVKFHZYFXNNXIB-WNJJXGMVSA-N 1 1 504.627 5.029 50 0 KKAAMO Cc1nc(SCc2cccc(C(=O)N3CCCC3)c2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000036064123 554162810 /nfs/dbraw/zinc/16/28/10/554162810.db2.gz WVQDWWGOGQXXLA-UKTHLTGXSA-N 1 1 527.738 5.457 50 0 KKAAMO Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCCC2)Cc2csc(COc3ccccc3C(C)C)n2)cc1 ZINC000036116625 554182204 /nfs/dbraw/zinc/18/22/04/554182204.db2.gz DANXOZQNKFKMJV-UHFFFAOYSA-N 1 1 527.756 5.831 50 0 KKAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146744 554198105 /nfs/dbraw/zinc/19/81/05/554198105.db2.gz YWJCPDUGNPGTHU-IRLDBZIGSA-N 1 1 507.389 5.298 50 0 KKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cc(OC)cc(OC)c1 ZINC000036167626 554199946 /nfs/dbraw/zinc/19/99/46/554199946.db2.gz ZOLBMMKXQJMTAF-UHFFFAOYSA-N 1 1 531.649 6.010 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)c1ccccc1)[C@H](c1ccc(F)cc1)C[N@@H+]2C ZINC000036201514 554200670 /nfs/dbraw/zinc/20/06/70/554200670.db2.gz MCPWGYMZINJRRH-YBAOVTMCSA-N 1 1 504.605 6.105 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)c1ccccc1)[C@H](c1ccc(F)cc1)C[N@H+]2C ZINC000036201514 554200666 /nfs/dbraw/zinc/20/06/66/554200666.db2.gz MCPWGYMZINJRRH-YBAOVTMCSA-N 1 1 504.605 6.105 50 0 KKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(OC)c1OC ZINC000036202416 554200732 /nfs/dbraw/zinc/20/07/32/554200732.db2.gz RSPKLBITMJEBBA-UHFFFAOYSA-N 1 1 507.577 6.271 50 0 KKAAMO CCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cccc(OC)c1OC ZINC000036202416 554200730 /nfs/dbraw/zinc/20/07/30/554200730.db2.gz RSPKLBITMJEBBA-UHFFFAOYSA-N 1 1 507.577 6.271 50 0 KKAAMO Cc1cccc(C[N@H+](CCN2CCOCC2)Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)c1 ZINC000036203453 554201117 /nfs/dbraw/zinc/20/11/17/554201117.db2.gz JKTWCSMZKFPDMD-UHFFFAOYSA-N 1 1 532.631 5.485 50 0 KKAAMO Cc1cccc(C[N@@H+](CCN2CCOCC2)Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)c1 ZINC000036203453 554201121 /nfs/dbraw/zinc/20/11/21/554201121.db2.gz JKTWCSMZKFPDMD-UHFFFAOYSA-N 1 1 532.631 5.485 50 0 KKAAMO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@H]2CCCO2)s1 ZINC000036203574 554201265 /nfs/dbraw/zinc/20/12/65/554201265.db2.gz DXPUSPURZQTAJZ-RUZDIDTESA-N 1 1 509.618 6.393 50 0 KKAAMO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@H]2CCCO2)s1 ZINC000036203574 554201268 /nfs/dbraw/zinc/20/12/68/554201268.db2.gz DXPUSPURZQTAJZ-RUZDIDTESA-N 1 1 509.618 6.393 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@@H](C(=O)c2ccc(C(C)C)cc2)[C@H](c2ccco2)C[N@@H+]3C)c1 ZINC000036208051 554203003 /nfs/dbraw/zinc/20/30/03/554203003.db2.gz BSBCUWSLTMAFCG-NJRJSVCBSA-N 1 1 532.684 6.990 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@@H](C(=O)c2ccc(C(C)C)cc2)[C@H](c2ccco2)C[N@H+]3C)c1 ZINC000036208051 554203005 /nfs/dbraw/zinc/20/30/05/554203005.db2.gz BSBCUWSLTMAFCG-NJRJSVCBSA-N 1 1 532.684 6.990 50 0 KKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302338 554212244 /nfs/dbraw/zinc/21/22/44/554212244.db2.gz LLJVVLLXLBRCDB-SANMLTNESA-N 1 1 515.654 5.880 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000036303165 554213031 /nfs/dbraw/zinc/21/30/31/554213031.db2.gz XXEBEZWRQFUMQS-ZEQRLZLVSA-N 1 1 511.638 5.133 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000036303165 554213027 /nfs/dbraw/zinc/21/30/27/554213027.db2.gz XXEBEZWRQFUMQS-ZEQRLZLVSA-N 1 1 511.638 5.133 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000036304217 554214225 /nfs/dbraw/zinc/21/42/25/554214225.db2.gz XHJGHSHGCGHWMA-LOSJGSFVSA-N 1 1 529.628 5.266 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000036304217 554214229 /nfs/dbraw/zinc/21/42/29/554214229.db2.gz XHJGHSHGCGHWMA-LOSJGSFVSA-N 1 1 529.628 5.266 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000036304097 554214487 /nfs/dbraw/zinc/21/44/87/554214487.db2.gz XOIDUNNOQHHDQY-AREMUKBSSA-N 1 1 521.608 6.039 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COCC(C)C ZINC000036304960 554214778 /nfs/dbraw/zinc/21/47/78/554214778.db2.gz AZWUQOXWASHKNU-JOCHJYFZSA-N 1 1 502.055 5.015 50 0 KKAAMO COc1ccc(Oc2c(C[N@@H+](Cc3ccco3)C[C@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306051 554215293 /nfs/dbraw/zinc/21/52/93/554215293.db2.gz POQJOILDCNSSAH-QHCPKHFHSA-N 1 1 505.615 5.269 50 0 KKAAMO COc1ccc(Oc2c(C[N@H+](Cc3ccco3)C[C@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306051 554215297 /nfs/dbraw/zinc/21/52/97/554215297.db2.gz POQJOILDCNSSAH-QHCPKHFHSA-N 1 1 505.615 5.269 50 0 KKAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COCc3ccco3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306557 554215722 /nfs/dbraw/zinc/21/57/22/554215722.db2.gz LNHLEGSYSUIFOV-RUZDIDTESA-N 1 1 501.627 5.571 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)COc2ccccc2)CC2CC2)c1Oc1ccccc1F ZINC000036306858 554215950 /nfs/dbraw/zinc/21/59/50/554215950.db2.gz AHHOTCCTJRLSRD-XMMPIXPASA-N 1 1 501.602 5.670 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036313701 554218842 /nfs/dbraw/zinc/21/88/42/554218842.db2.gz WARVGSLSCXFBEQ-VPUSJEBWSA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036313701 554218838 /nfs/dbraw/zinc/21/88/38/554218838.db2.gz WARVGSLSCXFBEQ-VPUSJEBWSA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036313933 554219291 /nfs/dbraw/zinc/21/92/91/554219291.db2.gz GAOCZNIQMQTMBY-XMMPIXPASA-N 1 1 519.642 5.661 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036313933 554219285 /nfs/dbraw/zinc/21/92/85/554219285.db2.gz GAOCZNIQMQTMBY-XMMPIXPASA-N 1 1 519.642 5.661 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316071 554219642 /nfs/dbraw/zinc/21/96/42/554219642.db2.gz LAUGOIOKYRAZNE-AHKZPQOWSA-N 1 1 507.675 5.202 50 0 KKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C ZINC000036316107 554219669 /nfs/dbraw/zinc/21/96/69/554219669.db2.gz MDWHXRRIHVFINP-HSZRJFAPSA-N 1 1 501.618 5.649 50 0 KKAAMO COc1ccc([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343200 554221687 /nfs/dbraw/zinc/22/16/87/554221687.db2.gz FLASHJQZPFRYHX-LJAQVGFWSA-N 1 1 515.629 5.475 50 0 KKAAMO CCOc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036343987 554222361 /nfs/dbraw/zinc/22/23/61/554222361.db2.gz WBZWLEFQJMBEDJ-HKBQPEDESA-N 1 1 510.682 5.198 50 0 KKAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345064 554223370 /nfs/dbraw/zinc/22/33/70/554223370.db2.gz CBJHOTKWMUUVAY-GDLZYMKVSA-N 1 1 501.074 5.452 50 0 KKAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)CC3)s2)cc1 ZINC000038139227 554259562 /nfs/dbraw/zinc/25/95/62/554259562.db2.gz RHHIFTMQWFRSCV-PSWAGMNNSA-N 1 1 579.815 5.325 50 0 KKAAMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(NC(=O)C2(C(=O)Nc3ccc(F)cc3)CC2)cc1F ZINC000043204048 554298181 /nfs/dbraw/zinc/29/81/81/554298181.db2.gz CXQHYVUVSFXTMY-UHFFFAOYSA-N 1 1 632.664 5.772 50 0 investigational KKAAMO CCOc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(OC)cc3)CC2)cc1 ZINC000046853900 554320873 /nfs/dbraw/zinc/32/08/73/554320873.db2.gz BSWXLWWESXSZAV-UHFFFAOYSA-N 1 1 533.632 5.457 50 0 KKAAMO Clc1ccc(-c2csc3ncnc(N4CC[NH+]([C@H](c5ccccc5)c5ccccc5Cl)CC4)c23)cc1 ZINC000053290126 554331037 /nfs/dbraw/zinc/33/10/37/554331037.db2.gz WQAIQVFWPIAEJD-HHHXNRCGSA-N 1 1 531.512 7.577 50 0 KKAAMO CC(C)[N@@H+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)Cc1ccccc1 ZINC000053371782 554348137 /nfs/dbraw/zinc/34/81/37/554348137.db2.gz MTYXOPDWTUXEPC-RWYGWLOXSA-N 1 1 586.157 6.308 50 0 KKAAMO COc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCC[N@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000055052875 554349922 /nfs/dbraw/zinc/34/99/22/554349922.db2.gz NSOHEBCGSXJFOH-UHFFFAOYSA-N 1 1 514.935 6.214 50 0 KKAAMO COc1cc(-c2ncc(C(F)(F)F)cc2Cl)cc2c1OCC[N@@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000055052875 554349926 /nfs/dbraw/zinc/34/99/26/554349926.db2.gz NSOHEBCGSXJFOH-UHFFFAOYSA-N 1 1 514.935 6.214 50 0 KKAAMO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC ZINC000059364557 554392968 /nfs/dbraw/zinc/39/29/68/554392968.db2.gz ZCTJIMXXSXQXRI-IHLOFXLRSA-N 1 1 696.841 7.063 50 0 biogenic,in-vitro KKAAMO O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059587631 554407974 /nfs/dbraw/zinc/40/79/74/554407974.db2.gz HNRAYIRVJNTTTP-UHFFFAOYSA-N 1 1 546.700 5.355 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000059735959 554427714 /nfs/dbraw/zinc/42/77/14/554427714.db2.gz GEZXZJVQBJZETJ-UHFFFAOYSA-N 1 1 539.726 6.366 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000059735959 554427711 /nfs/dbraw/zinc/42/77/11/554427711.db2.gz GEZXZJVQBJZETJ-UHFFFAOYSA-N 1 1 539.726 6.366 50 0 KKAAMO Cc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059796310 554430554 /nfs/dbraw/zinc/43/05/54/554430554.db2.gz HTVNOZMEKLYJJG-XOEWJNCRSA-N 1 1 513.597 5.163 50 0 KKAAMO Cc1cc(C2(c3cc(C)c(NC(=O)C[NH+]4CCCCC4)c(C)c3)CCCCC2)cc(C)c1NC(=O)CN1CCCCC1 ZINC000059829331 554432443 /nfs/dbraw/zinc/43/24/43/554432443.db2.gz HFEQJQBAZSOYLR-UHFFFAOYSA-N 1 1 572.838 7.019 50 0 KKAAMO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1OC ZINC000100818146 554478473 /nfs/dbraw/zinc/47/84/73/554478473.db2.gz UMOAMTFTAPMVKN-UHFFFAOYSA-N 1 1 541.698 6.853 50 0 KKAAMO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1OC ZINC000100818146 554478475 /nfs/dbraw/zinc/47/84/75/554478475.db2.gz UMOAMTFTAPMVKN-UHFFFAOYSA-N 1 1 541.698 6.853 50 0 KKAAMO O=C(COc1ccc(Cl)cc1)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000100818225 554478523 /nfs/dbraw/zinc/47/85/23/554478523.db2.gz YNFJFCVAWVHDGU-UHFFFAOYSA-N 1 1 546.117 7.254 50 0 KKAAMO O=C(COc1ccc(Cl)cc1)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2 ZINC000100818225 554478524 /nfs/dbraw/zinc/47/85/24/554478524.db2.gz YNFJFCVAWVHDGU-UHFFFAOYSA-N 1 1 546.117 7.254 50 0 KKAAMO CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000100859902 554494380 /nfs/dbraw/zinc/49/43/80/554494380.db2.gz SEBQUPOESZCFBS-HFLBTKGNSA-N 1 1 542.035 5.673 50 0 KKAAMO CCCCOc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4ccc(Cl)cc4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000100859902 554494381 /nfs/dbraw/zinc/49/43/81/554494381.db2.gz SEBQUPOESZCFBS-HFLBTKGNSA-N 1 1 542.035 5.673 50 0 KKAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@H+](C)CCOc2ccc(Br)cc2)cc1Cl ZINC000062674487 554508077 /nfs/dbraw/zinc/50/80/77/554508077.db2.gz MEXQAQKONLUVEO-QHCPKHFHSA-N 1 1 503.824 5.802 50 0 KKAAMO COc1ccc(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CCOc2ccc(Br)cc2)cc1Cl ZINC000062674487 554508080 /nfs/dbraw/zinc/50/80/80/554508080.db2.gz MEXQAQKONLUVEO-QHCPKHFHSA-N 1 1 503.824 5.802 50 0 KKAAMO COc1ccc(Nc2cc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)cc1 ZINC000063473081 554509338 /nfs/dbraw/zinc/50/93/38/554509338.db2.gz CYGZWPKUUKLWSX-UHFFFAOYSA-N 1 1 516.045 5.192 50 0 KKAAMO O=C1c2cccc(N3CC[NH+](Cc4cccc(F)c4)CC3)c2C(=O)N1Cc1nc(-c2ccccc2)cs1 ZINC000064083913 554510500 /nfs/dbraw/zinc/51/05/00/554510500.db2.gz SRUQDNMHEACJEB-UHFFFAOYSA-N 1 1 512.610 5.068 50 0 KKAAMO O=C(c1cc2occc2n1Cc1ccc(Br)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101075313 554577205 /nfs/dbraw/zinc/57/72/05/554577205.db2.gz RBPWSTUKQPERCM-UHFFFAOYSA-N 1 1 554.488 6.593 50 0 KKAAMO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000101189529 554670288 /nfs/dbraw/zinc/67/02/88/554670288.db2.gz BIZKLZOGPYWNFG-SAIUNTKASA-N 1 1 561.682 5.534 50 0 KKAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101206658 554676416 /nfs/dbraw/zinc/67/64/16/554676416.db2.gz UDUNPWMGWDRQOU-SRILOVTHSA-N 1 1 619.206 5.099 50 0 biogenic KKAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216664 554684235 /nfs/dbraw/zinc/68/42/35/554684235.db2.gz MPWSXRLDQCEBNO-SANMLTNESA-N 1 1 606.620 5.141 50 0 KKAAMO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255102 554696148 /nfs/dbraw/zinc/69/61/48/554696148.db2.gz RFKSCLFLIDLEDD-SSEXGKCCSA-N 1 1 620.219 5.278 50 0 KKAAMO CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255087 554696221 /nfs/dbraw/zinc/69/62/21/554696221.db2.gz NWEQTDHXYUAZCH-JGCGQSQUSA-N 1 1 629.827 5.023 50 0 KKAAMO Cc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101321357 554728170 /nfs/dbraw/zinc/72/81/70/554728170.db2.gz SCHBFPMBTILERH-BYSIJJKSSA-N 1 1 532.427 5.316 50 0 KKAAMO Cc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101321357 554728171 /nfs/dbraw/zinc/72/81/71/554728171.db2.gz SCHBFPMBTILERH-BYSIJJKSSA-N 1 1 532.427 5.316 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000101341056 554735287 /nfs/dbraw/zinc/73/52/87/554735287.db2.gz QXXSAVXKVKGEHG-WBBHLRKXSA-N 1 1 579.832 5.613 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000101341202 554735670 /nfs/dbraw/zinc/73/56/70/554735670.db2.gz QHXVJVWXUASHAI-IPBJYNAHSA-N 1 1 559.757 5.079 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000101341202 554735672 /nfs/dbraw/zinc/73/56/72/554735672.db2.gz QHXVJVWXUASHAI-IPBJYNAHSA-N 1 1 559.757 5.079 50 0 KKAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101372168 554744681 /nfs/dbraw/zinc/74/46/81/554744681.db2.gz YWMBPVDTEHODPQ-QRHBHCOUSA-N 1 1 639.624 5.444 50 0 biogenic KKAAMO COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)NC[C@H]4CCC[N@H+]5CCCC[C@H]45)cs3)n2)c(OC)c1 ZINC000101378255 554747359 /nfs/dbraw/zinc/74/73/59/554747359.db2.gz RXGUCKFJONMYEH-IIBYNOLFSA-N 1 1 549.619 5.026 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101383359 554748801 /nfs/dbraw/zinc/74/88/01/554748801.db2.gz LHADHGYKPBKRIF-CRJTYWNXSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101383359 554748802 /nfs/dbraw/zinc/74/88/02/554748802.db2.gz LHADHGYKPBKRIF-CRJTYWNXSA-N 1 1 556.062 5.452 50 0 KKAAMO Cc1ccc(CN2c3ccccc3S[C@@H]([C@H](C)C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000101434814 554771872 /nfs/dbraw/zinc/77/18/72/554771872.db2.gz LVCGIHKXKVYFCM-IADCTJSHSA-N 1 1 563.167 5.230 50 0 KKAAMO CCOc1cc2sc(N3CCC(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)CC3)nc2cc1Br ZINC000101448721 554775174 /nfs/dbraw/zinc/77/51/74/554775174.db2.gz QVKSKPSNJNOXDU-HDICACEKSA-N 1 1 537.568 5.443 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000101492485 554786382 /nfs/dbraw/zinc/78/63/82/554786382.db2.gz VRIRGLHXHWSFLY-ZMOKAIPVSA-N 1 1 559.453 5.073 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)C2=O)c1 ZINC000101506374 554790183 /nfs/dbraw/zinc/79/01/83/554790183.db2.gz VZIUJJUFRSEIFC-MQPGQEPHSA-N 1 1 567.799 7.081 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C\c1ccccc1)S2 ZINC000101507042 554790996 /nfs/dbraw/zinc/79/09/96/554790996.db2.gz PQNCFFTXZAKQAX-PDQROTASSA-N 1 1 553.772 7.059 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000101511114 554792501 /nfs/dbraw/zinc/79/25/01/554792501.db2.gz MGEKECNNKOIUAJ-RHRDVFBWSA-N 1 1 559.453 5.073 50 0 KKAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@@H+](C)C4CCCCC4)CC3)s2)cc1 ZINC000101575572 554798988 /nfs/dbraw/zinc/79/89/88/554798988.db2.gz HFCDSCBZXQQTSB-UHFFFAOYSA-N 1 1 579.815 5.327 50 0 KKAAMO COc1cccc(NC(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5ccc(C(C)=O)cc5)cn43)CC2)c1 ZINC000101620055 554808395 /nfs/dbraw/zinc/80/83/95/554808395.db2.gz WZOIXLWLCUDGEW-UHFFFAOYSA-N 1 1 559.670 6.229 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000101637653 554813700 /nfs/dbraw/zinc/81/37/00/554813700.db2.gz MIEBKHVFUYCWQJ-KWLUCORDSA-N 1 1 553.772 7.059 50 0 KKAAMO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@H+](Cc3ccc(C(C)C)cc3)C2)n1 ZINC000101799238 554839485 /nfs/dbraw/zinc/83/94/85/554839485.db2.gz ABKCJRPZBSGSQH-UHSQPCAPSA-N 1 1 547.744 5.440 50 0 KKAAMO Cc1cc(C)nc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@@H+](Cc3ccc(C(C)C)cc3)C2)n1 ZINC000101799238 554839487 /nfs/dbraw/zinc/83/94/87/554839487.db2.gz ABKCJRPZBSGSQH-UHSQPCAPSA-N 1 1 547.744 5.440 50 0 KKAAMO C[N@H+](Cc1ccoc1)Cc1cc(-c2cnccn2)ccc1OCC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000101819769 554840197 /nfs/dbraw/zinc/84/01/97/554840197.db2.gz KXFLALGWFCGOHV-UHFFFAOYSA-N 1 1 545.643 6.228 50 0 KKAAMO C[N@@H+](Cc1ccoc1)Cc1cc(-c2cnccn2)ccc1OCC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000101819769 554840199 /nfs/dbraw/zinc/84/01/99/554840199.db2.gz KXFLALGWFCGOHV-UHFFFAOYSA-N 1 1 545.643 6.228 50 0 KKAAMO Cc1ccc(C)c(CN2C[C@@H](Sc3nccc(C)n3)C[C@H]2C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c1 ZINC000101864107 554844843 /nfs/dbraw/zinc/84/48/43/554844843.db2.gz MRQLJCFBFBCLIS-CRNNKKFJSA-N 1 1 559.824 5.106 50 0 KKAAMO CN(C(=O)CC[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCCCC1 ZINC000101864917 554844897 /nfs/dbraw/zinc/84/48/97/554844897.db2.gz PURKDPIBLHDKOM-SETSBSEESA-N 1 1 571.732 5.684 50 0 KKAAMO CN(C(=O)CC[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CCCCC1 ZINC000101864917 554844899 /nfs/dbraw/zinc/84/48/99/554844899.db2.gz PURKDPIBLHDKOM-SETSBSEESA-N 1 1 571.732 5.684 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101903770 554847796 /nfs/dbraw/zinc/84/77/96/554847796.db2.gz DRAZOBAZXNIPOI-AREMUKBSSA-N 1 1 597.579 5.199 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101903973 554848022 /nfs/dbraw/zinc/84/80/22/554848022.db2.gz ZIXAPYUCUBDXGX-SANMLTNESA-N 1 1 553.128 5.090 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101904120 554848030 /nfs/dbraw/zinc/84/80/30/554848030.db2.gz VVDVOMWNJLXJES-AREMUKBSSA-N 1 1 553.128 5.090 50 0 KKAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)C[C@@H]2C)c1 ZINC000101979674 554863604 /nfs/dbraw/zinc/86/36/04/554863604.db2.gz JGNGLITYQVEAHL-JYJPFYCCSA-N 1 1 570.803 5.997 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(Cl)c1)C3=O ZINC000101990986 554863881 /nfs/dbraw/zinc/86/38/81/554863881.db2.gz SEXXIVHIGBPBEK-WPHQEQLXSA-N 1 1 551.131 5.202 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000102050844 554871243 /nfs/dbraw/zinc/87/12/43/554871243.db2.gz WBFSLCYZEWWMLR-SSEXGKCCSA-N 1 1 573.778 6.165 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc(I)c1O ZINC000102084860 554876248 /nfs/dbraw/zinc/87/62/48/554876248.db2.gz ZZBIKJGJJNREBG-QFIPXVFZSA-N 1 1 561.445 5.444 50 0 KKAAMO C[N@@H+](Cc1ccc(OC2CCN(C(=O)[C@H](c3ccccc3)C3CCCC3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102088941 554877226 /nfs/dbraw/zinc/87/72/26/554877226.db2.gz QRONMDNVNOXLIB-PGUFJCEWSA-N 1 1 547.743 7.211 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102098987 554880745 /nfs/dbraw/zinc/88/07/45/554880745.db2.gz BZAJHVYCKFSBJP-AHKZPQOWSA-N 1 1 538.610 6.448 50 0 KKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(F)c1 ZINC000102102942 554882041 /nfs/dbraw/zinc/88/20/41/554882041.db2.gz JBEXRIIBDQMXEE-UHFFFAOYSA-N 1 1 540.510 7.343 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1F ZINC000102106449 554882418 /nfs/dbraw/zinc/88/24/18/554882418.db2.gz DEABBFZXAHPOIG-UHFFFAOYSA-N 1 1 540.510 7.343 50 0 KKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1F ZINC000102106449 554882420 /nfs/dbraw/zinc/88/24/20/554882420.db2.gz DEABBFZXAHPOIG-UHFFFAOYSA-N 1 1 540.510 7.343 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1 ZINC000102205594 554896296 /nfs/dbraw/zinc/89/62/96/554896296.db2.gz VQLQOWKGCDRDMX-UHFFFAOYSA-N 1 1 547.167 6.480 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000102254117 554904205 /nfs/dbraw/zinc/90/42/05/554904205.db2.gz VGZUEQGSTMMCAP-QABMSTFYSA-N 1 1 543.777 6.065 50 0 KKAAMO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(F)c1 ZINC000102267669 554905349 /nfs/dbraw/zinc/90/53/49/554905349.db2.gz WIJSVEDXAAWMIA-BVAGGSTKSA-N 1 1 530.694 6.311 50 0 KKAAMO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(F)c1 ZINC000102267669 554905351 /nfs/dbraw/zinc/90/53/51/554905351.db2.gz WIJSVEDXAAWMIA-BVAGGSTKSA-N 1 1 530.694 6.311 50 0 KKAAMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000102327576 554912352 /nfs/dbraw/zinc/91/23/52/554912352.db2.gz RQXAFPGUHVTCBJ-QFIPXVFZSA-N 1 1 577.150 5.941 50 0 KKAAMO CCOC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@H]3CCCO3)C2)CC1 ZINC000102399570 554919473 /nfs/dbraw/zinc/91/94/73/554919473.db2.gz HAJNTHXQEZFDJV-JOCHJYFZSA-N 1 1 584.035 5.794 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCC2CCCCC2)CC1 ZINC000102477664 554937042 /nfs/dbraw/zinc/93/70/42/554937042.db2.gz DCVMXIWTODDQST-MFMCTBQISA-N 1 1 567.218 5.838 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCC2CCCCC2)CC1 ZINC000102477664 554937043 /nfs/dbraw/zinc/93/70/43/554937043.db2.gz DCVMXIWTODDQST-MFMCTBQISA-N 1 1 567.218 5.838 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)cc2OC)CC[N@H+](C)C4)cc1 ZINC000102499591 554942277 /nfs/dbraw/zinc/94/22/77/554942277.db2.gz XVWPMRSVFZGLCA-MUUNZHRXSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)cc2OC)CC[N@@H+](C)C4)cc1 ZINC000102499591 554942280 /nfs/dbraw/zinc/94/22/80/554942280.db2.gz XVWPMRSVFZGLCA-MUUNZHRXSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000102499942 554942453 /nfs/dbraw/zinc/94/24/53/554942453.db2.gz PXNFQKXVVVMUIU-SANMLTNESA-N 1 1 537.060 6.465 50 0 KKAAMO COc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000102499942 554942455 /nfs/dbraw/zinc/94/24/55/554942455.db2.gz PXNFQKXVVVMUIU-SANMLTNESA-N 1 1 537.060 6.465 50 0 KKAAMO COC(=O)c1sccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000102500053 554942471 /nfs/dbraw/zinc/94/24/71/554942471.db2.gz XKRXPMCLZVQJFX-QHCPKHFHSA-N 1 1 536.654 5.651 50 0 KKAAMO COC(=O)c1sccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000102500053 554942472 /nfs/dbraw/zinc/94/24/72/554942472.db2.gz XKRXPMCLZVQJFX-QHCPKHFHSA-N 1 1 536.654 5.651 50 0 KKAAMO COC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c1 ZINC000102500348 554942808 /nfs/dbraw/zinc/94/28/08/554942808.db2.gz LEJFJZUHFRTODN-SANMLTNESA-N 1 1 547.080 6.104 50 0 KKAAMO COC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c1 ZINC000102500348 554942810 /nfs/dbraw/zinc/94/28/10/554942810.db2.gz LEJFJZUHFRTODN-SANMLTNESA-N 1 1 547.080 6.104 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1 ZINC000102661974 555000738 /nfs/dbraw/zinc/00/07/38/555000738.db2.gz LWOYYHVMOCKPJU-HKBQPEDESA-N 1 1 585.789 5.815 50 0 KKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)C1 ZINC000102668450 555002172 /nfs/dbraw/zinc/00/21/72/555002172.db2.gz CKDUDHCDIRJFPB-GJDRTLBCSA-N 1 1 543.708 6.358 50 0 KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@@]12C(=O)Nc1ccccc12 ZINC000102676470 555004182 /nfs/dbraw/zinc/00/41/82/555004182.db2.gz GKIKOHDMJGPJMJ-KDLQGFRMSA-N 1 1 542.035 5.062 50 0 KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@@]12C(=O)Nc1ccccc12 ZINC000102676470 555004184 /nfs/dbraw/zinc/00/41/84/555004184.db2.gz GKIKOHDMJGPJMJ-KDLQGFRMSA-N 1 1 542.035 5.062 50 0 KKAAMO COc1ccc(Cl)cc1NC(=O)COc1ccc(-c2ncccn2)cc1C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000102706570 555015126 /nfs/dbraw/zinc/01/51/26/555015126.db2.gz CHIKPEOLRKOTIG-UHFFFAOYSA-N 1 1 541.051 6.112 50 0 KKAAMO Cc1ccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3)Oc3ccccc32)cc1 ZINC000102771058 555059437 /nfs/dbraw/zinc/05/94/37/555059437.db2.gz QQQSNTGOBUOAGQ-PPFNPFNJSA-N 1 1 607.154 6.167 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3cc(OC)cc(OC)c3)CC(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000102772391 555061156 /nfs/dbraw/zinc/06/11/56/555061156.db2.gz ALMTVVIRFUCBIO-UHFFFAOYSA-N 1 1 545.676 6.256 50 0 KKAAMO O=C(CC[NH+]1CCN(CCOC(=O)C23CC4CC(CC(C4)C2)C3)CC1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 ZINC000102781716 555066272 /nfs/dbraw/zinc/06/62/72/555066272.db2.gz DFJDOPNUVQQZGQ-UHFFFAOYSA-N 1 1 613.746 6.602 50 0 KKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000102788275 555068263 /nfs/dbraw/zinc/06/82/63/555068263.db2.gz ZKHYBJAEAGBVPB-OHIZRGPFSA-N 1 1 581.826 7.838 50 0 KKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2)C1CCCCC1 ZINC000102788271 555068309 /nfs/dbraw/zinc/06/83/09/555068309.db2.gz ZKHYBJAEAGBVPB-QVFOYXOTSA-N 1 1 581.826 7.838 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cccc4ccccc43)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000102823130 555077309 /nfs/dbraw/zinc/07/73/09/555077309.db2.gz XZYDWORBEPLSKA-HSZRJFAPSA-N 1 1 557.720 5.665 50 0 KKAAMO C[N@H+](Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000102909619 555142411 /nfs/dbraw/zinc/14/24/11/555142411.db2.gz ZUPYTLZMYSMXSB-PMERELPUSA-N 1 1 538.091 6.791 50 0 KKAAMO COc1ccc(Cl)cc1N=[P@@]1(N2CC[NH+](C)CC2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 ZINC000102939960 555168512 /nfs/dbraw/zinc/16/85/12/555168512.db2.gz DFICBGRZGLMMSC-VLSIGIBJSA-N 1 1 575.097 7.404 50 0 KKAAMO CCOc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000103035525 555222596 /nfs/dbraw/zinc/22/25/96/555222596.db2.gz OWJQJEJSXICEDO-XIFFEERXSA-N 1 1 595.765 5.135 50 0 KKAAMO O=C(c1cc(Br)ccc1I)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103035543 555222629 /nfs/dbraw/zinc/22/26/29/555222629.db2.gz AYLKDJCXIDOKJG-UHFFFAOYSA-N 1 1 561.261 5.601 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COc1ccccc1)C[C@@H]1CCCO1 ZINC000103061140 555242357 /nfs/dbraw/zinc/24/23/57/555242357.db2.gz DWAXCDXZFAGKQZ-BDYUSTAISA-N 1 1 545.655 5.787 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COc1ccccc1)C[C@@H]1CCCO1 ZINC000103061140 555242360 /nfs/dbraw/zinc/24/23/60/555242360.db2.gz DWAXCDXZFAGKQZ-BDYUSTAISA-N 1 1 545.655 5.787 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103072373 555252238 /nfs/dbraw/zinc/25/22/38/555252238.db2.gz QLZZUCUHPCZKRD-MGBGTMOVSA-N 1 1 583.817 6.717 50 0 KKAAMO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(C)cc1 ZINC000103072337 555252255 /nfs/dbraw/zinc/25/22/55/555252255.db2.gz RBSNECYWIUTGIK-UHFFFAOYSA-N 1 1 536.547 7.657 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000103072369 555252383 /nfs/dbraw/zinc/25/23/83/555252383.db2.gz QLZZUCUHPCZKRD-XIFFEERXSA-N 1 1 583.817 6.717 50 0 KKAAMO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Oc2ccccc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000103136443 555306547 /nfs/dbraw/zinc/30/65/47/555306547.db2.gz UQEDTIBMKFMGGP-KXQOOQHDSA-N 1 1 605.782 8.348 50 0 KKAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccco1)C[C@H]1CCCO1 ZINC000103146971 555314007 /nfs/dbraw/zinc/31/40/07/555314007.db2.gz OXCHSFZVFMNOKU-XMMPIXPASA-N 1 1 620.591 5.081 50 0 KKAAMO CCOC(=O)CCCCCC(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000103181175 555329212 /nfs/dbraw/zinc/32/92/12/555329212.db2.gz WAFOCZUOIVZBPM-UHFFFAOYSA-N 1 1 549.539 6.147 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288176 555353840 /nfs/dbraw/zinc/35/38/40/555353840.db2.gz LHADHGYKPBKRIF-MCZNPFQCSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288176 555353845 /nfs/dbraw/zinc/35/38/45/555353845.db2.gz LHADHGYKPBKRIF-MCZNPFQCSA-N 1 1 556.062 5.452 50 0 KKAAMO CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103324067 555358999 /nfs/dbraw/zinc/35/89/99/555358999.db2.gz RWFSFXAMLQDKMC-JGCGQSQUSA-N 1 1 594.737 5.961 50 0 KKAAMO CO[C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3c(-c4ccc(C)cc4)nc4ccc(-c5ccccc5Cl)cn43)CC2)C1 ZINC000103372877 555367688 /nfs/dbraw/zinc/36/76/88/555367688.db2.gz GEMCPGHCOXEHRM-AHKZPQOWSA-N 1 1 557.138 6.480 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000103386951 555374279 /nfs/dbraw/zinc/37/42/79/555374279.db2.gz STSPBKQRPXHSAT-HHHXNRCGSA-N 1 1 533.619 6.041 50 0 KKAAMO COc1cccc(NC(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5cccc(C(F)(F)F)c5)cn43)CC2)c1 ZINC000103398391 555385020 /nfs/dbraw/zinc/38/50/20/555385020.db2.gz IVCRTCYCLNBBLY-UHFFFAOYSA-N 1 1 585.630 7.045 50 0 KKAAMO COc1ccc(NC(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5cccc(C(F)(F)F)c5)cn43)CC2)cc1 ZINC000103398478 555385244 /nfs/dbraw/zinc/38/52/44/555385244.db2.gz VKOFWFLEVDMDQO-UHFFFAOYSA-N 1 1 585.630 7.045 50 0 KKAAMO CC(C)(C)c1ccc2c(c1)N(Cc1nc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cs1)C(=O)CO2 ZINC000103419795 555400439 /nfs/dbraw/zinc/40/04/39/555400439.db2.gz TXZLNBUJKSAKIH-UHFFFAOYSA-N 1 1 580.754 5.914 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000103421077 555401696 /nfs/dbraw/zinc/40/16/96/555401696.db2.gz NNKQBBGWJAMPQZ-DHUJRADRSA-N 1 1 587.764 6.963 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(F)cc4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000103421320 555401902 /nfs/dbraw/zinc/40/19/02/555401902.db2.gz WDAGARSXFNKRFD-UHFFFAOYSA-N 1 1 540.683 6.156 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)COCc4ccccc4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000103421237 555401972 /nfs/dbraw/zinc/40/19/72/555401972.db2.gz HSOJMHKDMFXAIT-UHFFFAOYSA-N 1 1 566.746 5.920 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2cccc(Oc3ccccc3)c2)CC1 ZINC000103421672 555402480 /nfs/dbraw/zinc/40/24/80/555402480.db2.gz BSVUMEZMBCWHGF-UUWRZZSWSA-N 1 1 573.737 7.177 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2cccc(OCc3ccccc3)c2)CC1 ZINC000103421716 555402801 /nfs/dbraw/zinc/40/28/01/555402801.db2.gz RWGIZTNRWUGAPQ-UUWRZZSWSA-N 1 1 557.738 6.955 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000103421873 555402876 /nfs/dbraw/zinc/40/28/76/555402876.db2.gz OMUSTORNYUJQMY-UHFFFAOYSA-N 1 1 545.083 5.447 50 0 KKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169290827 562851837 /nfs/dbraw/zinc/85/18/37/562851837.db2.gz WBNPBXSTUXIXRN-JDLYIZNLSA-N 1 1 550.124 5.519 50 0 KKAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000251975272 562881685 /nfs/dbraw/zinc/88/16/85/562881685.db2.gz DEXFPUZLJYSAEO-KJVQYFSDSA-N 1 1 527.624 5.417 50 0 KKAAMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000252257116 562881711 /nfs/dbraw/zinc/88/17/11/562881711.db2.gz MYKURCFTIZBVPS-JXUFNTQASA-N 1 1 574.718 6.089 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288119 571361571 /nfs/dbraw/zinc/36/15/71/571361571.db2.gz WSIZNCCWQBZODB-JWXXLELASA-N 1 1 584.672 6.466 50 0 KKAAMO O=C(c1cc2ccccc2o1)[C@H]1[C@@H](C(=O)c2ccccc2Cl)N2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000103528038 571361705 /nfs/dbraw/zinc/36/17/05/571361705.db2.gz KFHVULANIPBEHT-ACZXLBTNSA-N 1 1 571.032 7.068 50 0 KKAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000103899898 571368970 /nfs/dbraw/zinc/36/89/70/571368970.db2.gz ZRXMRYXHPCGGLA-YTMVLYRLSA-N 1 1 529.482 5.414 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104920025 571387861 /nfs/dbraw/zinc/38/78/61/571387861.db2.gz CHRHPKPBYVNEJL-ATIYNZHBSA-N 1 1 515.526 5.528 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984120 571388760 /nfs/dbraw/zinc/38/87/60/571388760.db2.gz SWZYKECGAJVVEB-XZOQPEGZSA-N 1 1 533.883 6.390 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984120 571388761 /nfs/dbraw/zinc/38/87/61/571388761.db2.gz SWZYKECGAJVVEB-XZOQPEGZSA-N 1 1 533.883 6.390 50 0 KKAAMO Cc1ccsc1C[N@@H+]1C[C@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105041840 571390168 /nfs/dbraw/zinc/39/01/68/571390168.db2.gz PAOFDPRIIUQEQT-ZEQKJWHPSA-N 1 1 532.647 7.228 50 0 KKAAMO COc1ccccc1C[N@H+]1C[C@@H](CN(C(=O)c2ccc(F)cc2)C(C)C)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105042589 571390369 /nfs/dbraw/zinc/39/03/69/571390369.db2.gz WBRNZEMHVSKXTL-IGKIAQTJSA-N 1 1 528.590 6.620 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000105062181 571391096 /nfs/dbraw/zinc/39/10/96/571391096.db2.gz ZUBFLAGZJNQECR-DNOBIOAJSA-N 1 1 596.577 5.453 50 0 KKAAMO O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000106807368 571418410 /nfs/dbraw/zinc/41/84/10/571418410.db2.gz MTWJPWIHXNEMOQ-TVXPCSCSSA-N 1 1 520.585 5.869 50 0 KKAAMO Clc1ccc2c(c1)C[C@@H](S[C@@H](CCN1CC[NH+](Cc3ccccc3)CC1)c1ccccc1)c1ccccc1S2 ZINC000108800582 571426599 /nfs/dbraw/zinc/42/65/99/571426599.db2.gz FRNBINOLPGJIEE-UZNNEEJFSA-N 1 1 571.255 8.771 50 0 KKAAMO CCOC(=O)c1cc(NCC[N@@H+](C)CC2c3ccccc3CCc3ccccc32)c2c(Cl)cc(Cl)cc2n1 ZINC000136995265 571449948 /nfs/dbraw/zinc/44/99/48/571449948.db2.gz VABJDDDEODZXRM-UHFFFAOYSA-N 1 1 548.514 6.993 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000150387893 571470466 /nfs/dbraw/zinc/47/04/66/571470466.db2.gz HGUSGQYXLIOROY-JGRMKTMXSA-N 1 1 641.212 7.101 50 0 KKAAMO COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc(OC)c1OC ZINC000150389128 571471551 /nfs/dbraw/zinc/47/15/51/571471551.db2.gz FFLLNJLADORQNE-UHFFFAOYSA-N 1 1 676.084 8.187 50 0 KKAAMO O=C(c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Br)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150408806 571481246 /nfs/dbraw/zinc/48/12/46/571481246.db2.gz MCHFUXMZICSYAU-UHFFFAOYSA-N 1 1 626.502 6.787 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)NC(c3ccccc3)c3ccccc3)nc3sc4c(c3c2=O)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000150410394 571482898 /nfs/dbraw/zinc/48/28/98/571482898.db2.gz SSMPEZUKLHFLDU-UHFFFAOYSA-N 1 1 642.850 7.312 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)NC(c3ccccc3)c3ccccc3)nc3sc4c(c3c2=O)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000150410394 571482899 /nfs/dbraw/zinc/48/28/99/571482899.db2.gz SSMPEZUKLHFLDU-UHFFFAOYSA-N 1 1 642.850 7.312 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414242 571484993 /nfs/dbraw/zinc/48/49/93/571484993.db2.gz YGZMRESDSFEGSK-XIFFEERXSA-N 1 1 671.864 5.191 50 0 KKAAMO CCOc1ccc([C@H]2C(=O)C(C(c3ccc(OC)c(C[NH+]4CCCCC4)c3)C3C(=O)NC(=S)[C@@H](c4ccc(OCC)cc4)C3=O)C(=O)NC2=S)cc1 ZINC000150438664 571497075 /nfs/dbraw/zinc/49/70/75/571497075.db2.gz ZGNZALCUWSMZMO-ACHIHNKUSA-N 1 1 741.932 7.491 50 0 KKAAMO O=c1[nH]c(CN(Cc2ccccc2C[NH+]2CCOCC2)Cc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)nc2scc(-c3ccc(F)cc3)c21 ZINC000150455413 571504352 /nfs/dbraw/zinc/50/43/52/571504352.db2.gz OHSQSSLKCQXPCR-UHFFFAOYSA-N 1 1 722.843 6.929 50 0 KKAAMO CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)C(=O)C[C@H]1c1ccccc1Cl ZINC000150465839 571507802 /nfs/dbraw/zinc/50/78/02/571507802.db2.gz NVPASPDNIBEINP-UMSFTDKQSA-N 1 1 662.230 7.241 50 0 KKAAMO CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)C(=O)C[C@H]1c1ccc(F)cc1 ZINC000150465818 571507928 /nfs/dbraw/zinc/50/79/28/571507928.db2.gz JHQDRXFVGKWZPI-DHUJRADRSA-N 1 1 645.775 6.726 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150508110 571519355 /nfs/dbraw/zinc/51/93/55/571519355.db2.gz UBPJQRBGZMSVOG-UUWRZZSWSA-N 1 1 641.776 7.848 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000169677357 571554816 /nfs/dbraw/zinc/55/48/16/571554816.db2.gz MGLFGDLKKIEGCG-QXNWPYRLSA-N 1 1 529.750 5.801 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC000169680769 571556958 /nfs/dbraw/zinc/55/69/58/571556958.db2.gz RFNCQQRMQIRZNF-VLCYVYKISA-N 1 1 545.793 5.670 50 0 KKAAMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000169771693 571560127 /nfs/dbraw/zinc/56/01/27/571560127.db2.gz ZAACMHXAXWPKNY-LEUQSAOGSA-N 1 1 555.719 5.673 50 0 KKAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)occ3-c1ccc(F)cc1 ZINC000170613400 571561931 /nfs/dbraw/zinc/56/19/31/571561931.db2.gz NKGBULQLZAQTFL-IBVKSMDESA-N 1 1 502.586 5.577 50 0 KKAAMO C[N@@H+](Cc1ccc(OCCN2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000299784112 572136161 /nfs/dbraw/zinc/13/61/61/572136161.db2.gz WJYBFZFQILXRFD-UHFFFAOYSA-N 1 1 598.691 5.271 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000227707578 572154084 /nfs/dbraw/zinc/15/40/84/572154084.db2.gz VLSNNUJMMMWVDF-WOJBJXKFSA-N 1 1 594.828 6.322 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000227707578 572154091 /nfs/dbraw/zinc/15/40/91/572154091.db2.gz VLSNNUJMMMWVDF-WOJBJXKFSA-N 1 1 594.828 6.322 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000227711360 572154098 /nfs/dbraw/zinc/15/40/98/572154098.db2.gz MYZXQQGEHUVDNF-LJQANCHMSA-N 1 1 580.801 6.218 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000227711360 572154101 /nfs/dbraw/zinc/15/41/01/572154101.db2.gz MYZXQQGEHUVDNF-LJQANCHMSA-N 1 1 580.801 6.218 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229610589 572156563 /nfs/dbraw/zinc/15/65/63/572156563.db2.gz QKYXNOPQBNBDEM-RTXLYREFSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229610589 572156565 /nfs/dbraw/zinc/15/65/65/572156565.db2.gz QKYXNOPQBNBDEM-RTXLYREFSA-N 1 1 556.062 5.452 50 0 KKAAMO O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000229984849 572176600 /nfs/dbraw/zinc/17/66/00/572176600.db2.gz RIGHMIVMDXYPQN-DZHULAFLSA-N 1 1 581.491 6.492 50 0 KKAAMO CC1=C2C[C@@H]3[C@H](C[N@H+]4CC[C@H](c5ccc(F)cc5)[C@@H](COc5ccc6c(c5)OCO6)C4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000229987104 572177199 /nfs/dbraw/zinc/17/71/99/572177199.db2.gz JGPPKNUAZRWESR-PVWMIVDTSA-N 1 1 561.694 6.497 50 0 biogenic KKAAMO C[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077237 572182608 /nfs/dbraw/zinc/18/26/08/572182608.db2.gz QEURWTABXZDXKQ-NSOVKSMOSA-N 1 1 501.696 5.610 50 0 KKAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)C[C@H]2C)c1 ZINC000245228532 572205462 /nfs/dbraw/zinc/20/54/62/572205462.db2.gz JGNGLITYQVEAHL-ZIIROOFJSA-N 1 1 570.803 5.997 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000245312365 572229876 /nfs/dbraw/zinc/22/98/76/572229876.db2.gz UYLTVABUSBFZQN-GKQHHHCTSA-N 1 1 515.569 5.003 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000245312365 572229880 /nfs/dbraw/zinc/22/98/80/572229880.db2.gz UYLTVABUSBFZQN-GKQHHHCTSA-N 1 1 515.569 5.003 50 0 KKAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245330618 572236489 /nfs/dbraw/zinc/23/64/89/572236489.db2.gz ZMKUAJSIYXRGKV-HFJWLAOPSA-N 1 1 528.505 5.376 50 0 KKAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245330618 572236492 /nfs/dbraw/zinc/23/64/92/572236492.db2.gz ZMKUAJSIYXRGKV-HFJWLAOPSA-N 1 1 528.505 5.376 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COc1ccccc1)C[C@H]1CCCO1 ZINC000245343078 572237414 /nfs/dbraw/zinc/23/74/14/572237414.db2.gz DWAXCDXZFAGKQZ-XNMGPUDCSA-N 1 1 545.655 5.787 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C[C@H]1CCCO1 ZINC000245343078 572237417 /nfs/dbraw/zinc/23/74/17/572237417.db2.gz DWAXCDXZFAGKQZ-XNMGPUDCSA-N 1 1 545.655 5.787 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000245343377 572238481 /nfs/dbraw/zinc/23/84/81/572238481.db2.gz NDXPHCQJFPTDEB-FNWWCKPFSA-N 1 1 527.734 5.257 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245343404 572238640 /nfs/dbraw/zinc/23/86/40/572238640.db2.gz NYUDNNDZEZYLFM-XRHLQHRESA-N 1 1 560.522 5.905 50 0 KKAAMO Cc1cccc(C[N@@H+](C[C@@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@H]2CCCO2)c1 ZINC000245343449 572238921 /nfs/dbraw/zinc/23/89/21/572238921.db2.gz PCYPAXKKKZBVFE-LEAFIULHSA-N 1 1 562.579 6.037 50 0 KKAAMO O=C(NCc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247459665 572242211 /nfs/dbraw/zinc/24/22/11/572242211.db2.gz AKLWVYCKPKUJCH-FQEVSTJZSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247482622 572242382 /nfs/dbraw/zinc/24/23/82/572242382.db2.gz JNAKOLFAGAUTIQ-FQEVSTJZSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247488262 572242402 /nfs/dbraw/zinc/24/24/02/572242402.db2.gz LLMGXIPNHFPWMU-FQEVSTJZSA-N 1 1 582.340 6.079 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247494814 572242630 /nfs/dbraw/zinc/24/26/30/572242630.db2.gz NUTOGOBFQCCGMH-QGZVFWFLSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247526627 572242920 /nfs/dbraw/zinc/24/29/20/572242920.db2.gz ZKUYSKBEBNXWOD-OAQYLSRUSA-N 1 1 503.444 5.316 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247522392 572242946 /nfs/dbraw/zinc/24/29/46/572242946.db2.gz XYUBIIPMUJUYFF-UHFFFAOYSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247516235 572242960 /nfs/dbraw/zinc/24/29/60/572242960.db2.gz VREDTJGVYDMBCM-UHFFFAOYSA-N 1 1 558.307 6.946 50 0 KKAAMO 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CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248012033 572252169 /nfs/dbraw/zinc/25/21/69/572252169.db2.gz JGIYYOLCDWVHMV-XCZPVHLTSA-N 1 1 504.556 5.361 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000248011153 572252222 /nfs/dbraw/zinc/25/22/22/572252222.db2.gz RDBYAZXRHZGCJA-UHFFFAOYSA-N 1 1 542.511 5.121 50 0 KKAAMO CC(C)N(C[C@H]1C[N@@H+](CC2CCCCC2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248031593 572252732 /nfs/dbraw/zinc/25/27/32/572252732.db2.gz XSLRPMKHGXJIJI-SQHAQQRYSA-N 1 1 504.612 6.991 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000248083674 572253216 /nfs/dbraw/zinc/25/32/16/572253216.db2.gz DQVFRHXIWXRRCN-DEOSSOPVSA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000248111410 572253694 /nfs/dbraw/zinc/25/36/94/572253694.db2.gz SDKSCOATSSTLML-RBJSKKJNSA-N 1 1 512.591 6.919 50 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KKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248211465 572256699 /nfs/dbraw/zinc/25/66/99/572256699.db2.gz DNBQODSTDCIEPN-SVEHJYQDSA-N 1 1 542.617 6.867 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c1 ZINC000248332944 572258187 /nfs/dbraw/zinc/25/81/87/572258187.db2.gz JMKLVSPRGBSJDC-NWDGNEFISA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c1 ZINC000248332944 572258188 /nfs/dbraw/zinc/25/81/88/572258188.db2.gz JMKLVSPRGBSJDC-NWDGNEFISA-N 1 1 556.062 5.452 50 0 KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(OC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000248342418 572258565 /nfs/dbraw/zinc/25/85/65/572258565.db2.gz YEKWPWNFSXDCDC-QBQKZGEHSA-N 1 1 556.062 5.450 50 0 KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(OC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000248342418 572258566 /nfs/dbraw/zinc/25/85/66/572258566.db2.gz YEKWPWNFSXDCDC-QBQKZGEHSA-N 1 1 556.062 5.450 50 0 KKAAMO CCc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000252007403 572259749 /nfs/dbraw/zinc/25/97/49/572259749.db2.gz PQYGQNYRYYTAHV-NRFANRHFSA-N 1 1 517.471 6.201 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000252011717 572259909 /nfs/dbraw/zinc/25/99/09/572259909.db2.gz SKTAGOOLYNIFJI-VWLOTQADSA-N 1 1 586.578 5.911 50 0 KKAAMO CCCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000252310933 572259994 /nfs/dbraw/zinc/25/99/94/572259994.db2.gz RPGAKFDATPNBEX-QFIPXVFZSA-N 1 1 531.498 6.591 50 0 KKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000252430859 572260746 /nfs/dbraw/zinc/26/07/46/572260746.db2.gz OUDOPQGDHPZRET-LEAFIULHSA-N 1 1 548.716 5.457 50 0 KKAAMO C[C@H](C(=O)Nc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1)[N@@H+]1CCc2ccccc2C1 ZINC000252487171 572261639 /nfs/dbraw/zinc/26/16/39/572261639.db2.gz UDECRBSDIIHMQC-NIQGLAOKSA-N 1 1 530.112 6.524 50 0 KKAAMO C[C@H](C(=O)Nc1ccc([C@H]2CC[C@H](N(C)C(=O)c3ccc(Cl)cc3)CC2)cc1)[N@H+]1CCc2ccccc2C1 ZINC000252487171 572261640 /nfs/dbraw/zinc/26/16/40/572261640.db2.gz UDECRBSDIIHMQC-NIQGLAOKSA-N 1 1 530.112 6.524 50 0 KKAAMO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@@H]1C ZINC000252585319 572264544 /nfs/dbraw/zinc/26/45/44/572264544.db2.gz HSEDMGOCZZYPGG-KLYHJDAGSA-N 1 1 708.731 5.231 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000253373030 572282165 /nfs/dbraw/zinc/28/21/65/572282165.db2.gz HMSACZQRUSJPKE-ZPULPCPSSA-N 1 1 598.655 6.186 50 0 KKAAMO C[C@H](C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1)[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000253371485 572282192 /nfs/dbraw/zinc/28/21/92/572282192.db2.gz BLAQZSUKHHJVMW-KPURRNSFSA-N 1 1 509.675 5.222 50 0 KKAAMO C[C@H](C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1)[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000253371485 572282193 /nfs/dbraw/zinc/28/21/93/572282193.db2.gz BLAQZSUKHHJVMW-KPURRNSFSA-N 1 1 509.675 5.222 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000253389754 572283474 /nfs/dbraw/zinc/28/34/74/572283474.db2.gz FNEGCMADRYJMFX-AOYPEHQESA-N 1 1 507.675 5.384 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000253389754 572283476 /nfs/dbraw/zinc/28/34/76/572283476.db2.gz FNEGCMADRYJMFX-AOYPEHQESA-N 1 1 507.675 5.384 50 0 KKAAMO Cc1ccc(C)c(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)c1 ZINC000253477518 572289893 /nfs/dbraw/zinc/28/98/93/572289893.db2.gz GEKWIJIGJOROND-UHFFFAOYSA-N 1 1 517.471 6.256 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@H+](C)CC3)OCO2 ZINC000253501763 572294934 /nfs/dbraw/zinc/29/49/34/572294934.db2.gz GYQGIZSWANUMBG-WXPBLVFKSA-N 1 1 577.762 6.423 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@H](OC(C)=O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@@H+](C)CC3)OCO2 ZINC000253501763 572294936 /nfs/dbraw/zinc/29/49/36/572294936.db2.gz GYQGIZSWANUMBG-WXPBLVFKSA-N 1 1 577.762 6.423 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000253607350 572300900 /nfs/dbraw/zinc/30/09/00/572300900.db2.gz OSXGUIWLZRQMGJ-AREMUKBSSA-N 1 1 600.605 6.301 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000253607346 572300907 /nfs/dbraw/zinc/30/09/07/572300907.db2.gz OQJGNVHGCCEQBU-SANMLTNESA-N 1 1 600.605 6.301 50 0 KKAAMO CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000253607600 572301025 /nfs/dbraw/zinc/30/10/25/572301025.db2.gz ZDYVIJNYFJAFTP-HHHXNRCGSA-N 1 1 570.181 6.422 50 0 KKAAMO COc1ccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)c(OC)c1 ZINC000102033084 1069840518 /nfs/dbraw/zinc/84/05/18/1069840518.db2.gz ZBTHVDIHGHVTCF-MUUNZHRXSA-N 1 1 553.703 6.348 50 0 KKAAMO COc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)c(OC)c1OC ZINC000102020659 1069840773 /nfs/dbraw/zinc/84/07/73/1069840773.db2.gz NTJCENNQVAJCFU-NDEPHWFRSA-N 1 1 583.729 6.356 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1 ZINC000102597379 1069860560 /nfs/dbraw/zinc/86/05/60/1069860560.db2.gz JZSGRUQDTSBXMS-UHFFFAOYSA-N 1 1 543.689 5.099 50 0 KKAAMO Cc1nn(C)c(C)c1CN1C(=O)c2cccc(N3CC[NH+](Cc4ccc(-c5ccc(Cl)cc5)o4)CC3)c2C1=O ZINC000102689133 1069862462 /nfs/dbraw/zinc/86/24/62/1069862462.db2.gz VUEFRYKQFQJIJJ-UHFFFAOYSA-N 1 1 544.055 5.069 50 0 KKAAMO C[N@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(Cc2cccn2-c2ncccn2)C3)C1 ZINC000102705214 1069863456 /nfs/dbraw/zinc/86/34/56/1069863456.db2.gz CLVQQVIPTHHZFP-HSZRJFAPSA-N 1 1 544.099 5.703 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)/C=C/c3cccc(F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000012190724 1071238546 /nfs/dbraw/zinc/23/85/46/1071238546.db2.gz UOGPRVMGHIXUAH-LLHNEZGQSA-N 1 1 523.652 6.337 50 0 KKAAMO COc1ccc(/C=C/C(=O)N2CCC(Oc3cccc(C[N@@H+](C)Cc4cccc5ncccc45)c3)CC2)cc1 ZINC000012192155 1071238595 /nfs/dbraw/zinc/23/85/95/1071238595.db2.gz FTAINVWFCSLQEG-DTQAZKPQSA-N 1 1 521.661 5.959 50 0 KKAAMO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618256063 1071277953 /nfs/dbraw/zinc/27/79/53/1071277953.db2.gz DZZYZKOBXCXXSU-SFHVURJKSA-N 1 1 553.050 5.271 50 0 KKAAMO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618256063 1071277956 /nfs/dbraw/zinc/27/79/56/1071277956.db2.gz DZZYZKOBXCXXSU-SFHVURJKSA-N 1 1 553.050 5.271 50 0 KKAAMO CCOC(=O)c1cc(CC)sc1Nc1nc2ccccc2nc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000034847022 1072824952 /nfs/dbraw/zinc/82/49/52/1072824952.db2.gz QPMIMUBFZKYWCX-RAXLEYEMSA-N 1 1 527.694 6.009 50 0 KKAAMO CC(=NOCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Br)cc1 ZINC000254625241 1072868298 /nfs/dbraw/zinc/86/82/98/1072868298.db2.gz QYYUMJLDICXNBK-UHFFFAOYSA-N 1 1 506.444 5.124 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000254670523 1072869658 /nfs/dbraw/zinc/86/96/58/1072869658.db2.gz VEAGILXKMUFNPI-UHFFFAOYSA-N 1 1 686.064 6.296 50 0 KKAAMO CCCCNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000014742556 1072891217 /nfs/dbraw/zinc/89/12/17/1072891217.db2.gz PEWOMQNCUIUVRA-LEWJYISDSA-N 1 1 508.581 5.156 50 0 KKAAMO C[N@@H+](Cc1cccc(OC2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1)Cc1cccc2ccccc21 ZINC000014991366 1072895011 /nfs/dbraw/zinc/89/50/11/1072895011.db2.gz HIXFVOYTFBQRBQ-UHFFFAOYSA-N 1 1 508.618 5.884 50 0 KKAAMO COc1ccc(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC000014998278 1072895844 /nfs/dbraw/zinc/89/58/44/1072895844.db2.gz KGQBZFZVCAXQKP-OAQYLSRUSA-N 1 1 506.668 5.488 50 0 KKAAMO Cc1ccc(C(=O)N2CCC[C@H](COc3cccc(C[NH+]4CCN(c5ccccc5F)CC4)c3)C2)cc1 ZINC000055153421 1072899714 /nfs/dbraw/zinc/89/97/14/1072899714.db2.gz MRFLKEFNTKTSJK-SANMLTNESA-N 1 1 501.646 5.388 50 0 KKAAMO CC[N@@H+]1CC2=C(OC(N)=C(C#N)[C@@H]2c2ccc(Br)cc2)/C(=C\c2ccc(Br)cc2)C1 ZINC000000988974 551593079 /nfs/dbraw/zinc/59/30/79/551593079.db2.gz OOSZTDJGFNVZTJ-AAKHDSTQSA-N 1 1 527.260 5.692 50 0 KKAAMO O=C(c1nn2c(nc(-c3cccs3)cc2C(F)(F)F)c1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001013679 551597003 /nfs/dbraw/zinc/59/70/03/551597003.db2.gz ILCJKIICNUAYFJ-UHFFFAOYSA-N 1 1 582.051 6.677 50 0 KKAAMO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001214196 551626049 /nfs/dbraw/zinc/62/60/49/551626049.db2.gz WIMZUKKDKJOVEK-RBJSKKJNSA-N 1 1 589.618 5.820 50 0 KKAAMO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001287890 551637125 /nfs/dbraw/zinc/63/71/25/551637125.db2.gz KDFZQUKJCOGDTK-BDYUSTAISA-N 1 1 580.054 6.744 50 0 KKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCc2ccc(S(N)(=O)=O)cc2)cc1Cl ZINC000001447557 551674570 /nfs/dbraw/zinc/67/45/70/551674570.db2.gz OMZLTGUOQGWBEU-UHFFFAOYSA-N 1 1 518.042 5.351 50 0 KKAAMO Cc1ccc(-n2c(=O)c3c(nc2SCc2cccc4ccccc42)sc2c3CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000001770867 551696051 /nfs/dbraw/zinc/69/60/51/551696051.db2.gz KHGUZKCEJMJSPN-UHFFFAOYSA-N 1 1 559.760 7.759 50 0 KKAAMO Cc1ccc(-n2c(=O)c3c(nc2SCc2cccc4ccccc42)sc2c3CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000001770867 551696055 /nfs/dbraw/zinc/69/60/55/551696055.db2.gz KHGUZKCEJMJSPN-UHFFFAOYSA-N 1 1 559.760 7.759 50 0 KKAAMO CCOc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(Nc4ccc([NH+](CC)CC)cc4)=Nc4ccccc4N32)cc1 ZINC000001839305 551713595 /nfs/dbraw/zinc/71/35/95/551713595.db2.gz APWDFGJGDACCCZ-UUWRZZSWSA-N 1 1 595.751 8.221 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccccc2F)cc1 ZINC000001877143 551723200 /nfs/dbraw/zinc/72/32/00/551723200.db2.gz GCUJMMWQURFYQW-JGCGQSQUSA-N 1 1 569.688 7.961 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000002233351 551797958 /nfs/dbraw/zinc/79/79/58/551797958.db2.gz DEYIAHNJUHAKHC-SSEXGKCCSA-N 1 1 541.659 7.415 50 0 KKAAMO Clc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(Cl)c3)CC2)c1 ZINC000002714675 552161487 /nfs/dbraw/zinc/16/14/87/552161487.db2.gz SPFCRSWQASDWTF-UHFFFAOYSA-N 1 1 500.433 6.721 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC)c(COc4ccc(F)c(Cl)c4)c2)N3)C1 ZINC000002738030 552170711 /nfs/dbraw/zinc/17/07/11/552170711.db2.gz GWJJRIWGFBLDAF-HSZRJFAPSA-N 1 1 502.011 5.360 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2F)cc1Br ZINC000002917761 552218392 /nfs/dbraw/zinc/21/83/92/552218392.db2.gz PDRKBKMBQMZHLD-BJKOFHAPSA-N 1 1 505.347 5.401 50 0 KKAAMO O=c1c2ccccc2nc(SCc2ccccc2Cl)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000002973985 552245922 /nfs/dbraw/zinc/24/59/22/552245922.db2.gz ZDKZBCWLEHKDQS-UHFFFAOYSA-N 1 1 539.532 6.208 50 0 KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@@H+]4CCCC[C@H]4C)ccc3Sc3ccccc3C2=O)c1 ZINC000003047430 552276136 /nfs/dbraw/zinc/27/61/36/552276136.db2.gz CQXZTYPCFQXTCM-XMMPIXPASA-N 1 1 527.734 6.609 50 0 KKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000003054271 552279532 /nfs/dbraw/zinc/27/95/32/552279532.db2.gz RDZHWCRXAAHKQC-NRFANRHFSA-N 1 1 506.071 5.866 50 0 KKAAMO C[N@@H+](CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)Cc1ccccc1 ZINC000003054703 552279812 /nfs/dbraw/zinc/27/98/12/552279812.db2.gz NULLBDOMFMVAES-NLRVBDNBSA-N 1 1 550.522 5.567 50 0 KKAAMO O=C(c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000003242633 552319415 /nfs/dbraw/zinc/31/94/15/552319415.db2.gz CKYSHJJRIKTGPY-UHFFFAOYSA-N 1 1 586.157 5.634 50 0 KKAAMO C[N@H+]1CCCC[C@H]1CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Br)cc1 ZINC000003457005 552389630 /nfs/dbraw/zinc/38/96/30/552389630.db2.gz BMLRPHHVFZAKJX-QFIPXVFZSA-N 1 1 513.549 6.961 50 0 KKAAMO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661427 552407379 /nfs/dbraw/zinc/40/73/79/552407379.db2.gz YMRYBUIAFGPVQP-CZNDPXEESA-N 1 1 563.673 5.660 50 0 KKAAMO Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3N2)cc1 ZINC000004489387 552461792 /nfs/dbraw/zinc/46/17/92/552461792.db2.gz PEAHKDXESGNARZ-VSGBNLITSA-N 1 1 559.636 6.399 50 0 KKAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)C2CCCCC2)cc1 ZINC000004489080 552461834 /nfs/dbraw/zinc/46/18/34/552461834.db2.gz FNPRTPJZVJNZCW-UHFFFAOYSA-N 1 1 545.749 5.252 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000004757243 552475930 /nfs/dbraw/zinc/47/59/30/552475930.db2.gz GZALGSHCPGBAGE-MFMCTBQISA-N 1 1 517.645 5.347 50 0 KKAAMO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OC)cc4)c(C[NH+]4CCCCCC4)c3oc2C(F)(F)F)cc1 ZINC000006166815 552556848 /nfs/dbraw/zinc/55/68/48/552556848.db2.gz CXJKDXWHMBPDKJ-UHFFFAOYSA-N 1 1 609.641 8.160 50 0 KKAAMO CC1CC[NH+](Cc2c(OC(=O)c3ccc(F)cc3)ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc32)CC1 ZINC000006166806 552556971 /nfs/dbraw/zinc/55/69/71/552556971.db2.gz RTQULLGGHYIHGD-UHFFFAOYSA-N 1 1 589.969 7.848 50 0 KKAAMO CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc1 ZINC000006166895 552557541 /nfs/dbraw/zinc/55/75/41/552557541.db2.gz ARIMZPMYNNLTJZ-UHFFFAOYSA-N 1 1 623.668 8.379 50 0 KKAAMO C[N@@H+](Cc1cc(Br)cc(Br)c1NC(=O)c1ccc(COc2ccc3ccccc3c2)o1)C1CCCCC1 ZINC000008432623 553026653 /nfs/dbraw/zinc/02/66/53/553026653.db2.gz WIKNIIMPGCSRCC-UHFFFAOYSA-N 1 1 626.389 8.554 50 0 KKAAMO O[C@@H](COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008438845 553035278 /nfs/dbraw/zinc/03/52/78/553035278.db2.gz JKHMWUIYMTVVNC-OAQYLSRUSA-N 1 1 542.290 6.654 50 0 KKAAMO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008711954 553126209 /nfs/dbraw/zinc/12/62/09/553126209.db2.gz FTRAAJXBEKTOQE-AHKZPQOWSA-N 1 1 614.499 7.398 50 0 KKAAMO O=C(/C=C/c1ccco1)Oc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000008722171 553129947 /nfs/dbraw/zinc/12/99/47/553129947.db2.gz NUSSGPBOBKKPPB-QSRYBZNWSA-N 1 1 511.603 5.372 50 0 KKAAMO O=C(/C=C/c1ccco1)Oc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000008722171 553129948 /nfs/dbraw/zinc/12/99/48/553129948.db2.gz NUSSGPBOBKKPPB-QSRYBZNWSA-N 1 1 511.603 5.372 50 0 KKAAMO CCOc1cc2sc(N3CCC(C(=O)NCC[N@@H+](C)C4CCCCC4)CC3)nc2cc1Br ZINC000008911690 553184189 /nfs/dbraw/zinc/18/41/89/553184189.db2.gz HAMZTKDCIFSLLY-UHFFFAOYSA-N 1 1 523.541 5.055 50 0 KKAAMO COc1ccc([C@@H](CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000008917529 553187121 /nfs/dbraw/zinc/18/71/21/553187121.db2.gz DEYYBBSAJFECQI-UHSQPCAPSA-N 1 1 508.618 5.882 50 0 KKAAMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000008918640 553188541 /nfs/dbraw/zinc/18/85/41/553188541.db2.gz FQXCPZMUDHXOQY-NQIIRXRSSA-N 1 1 516.151 7.008 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000008918640 553188544 /nfs/dbraw/zinc/18/85/44/553188544.db2.gz FQXCPZMUDHXOQY-NQIIRXRSSA-N 1 1 516.151 7.008 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@@H]3CC[N@H+](C4CCCC4)C3)cnn2-c2ccc(F)cc2)CC1 ZINC000009227749 553222335 /nfs/dbraw/zinc/22/23/35/553222335.db2.gz ABGHVPSECKVUIQ-NRFANRHFSA-N 1 1 539.696 5.120 50 0 KKAAMO O=C(c1ccccc1)[C@@H]1C[N@@H+](C2CCCCC2)C(c2ccccc2)=C(CN2CCOCC2)[C@H]1c1ccccc1 ZINC000009272027 553231523 /nfs/dbraw/zinc/23/15/23/553231523.db2.gz DBGVNYDZFAVFHZ-CZNDPXEESA-N 1 1 520.717 6.661 50 0 KKAAMO c1ccc(CC[N@H+]2[C@@H](c3ccccc3)[C@@H](c3ccccc3)[C@@H](NCc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000009347631 553244374 /nfs/dbraw/zinc/24/43/74/553244374.db2.gz MTFXVXUBNOYWNP-ZQWQDMLBSA-N 1 1 522.736 8.360 50 0 KKAAMO c1ccc(CC[N@@H+]2[C@@H](c3ccccc3)[C@@H](c3ccccc3)[C@@H](NCc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000009347631 553244376 /nfs/dbraw/zinc/24/43/76/553244376.db2.gz MTFXVXUBNOYWNP-ZQWQDMLBSA-N 1 1 522.736 8.360 50 0 KKAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432874 553262650 /nfs/dbraw/zinc/26/26/50/553262650.db2.gz RJZOUPMTYJYFRL-IZLXSDGUSA-N 1 1 535.710 5.219 50 0 KKAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009432873 553262662 /nfs/dbraw/zinc/26/26/62/553262662.db2.gz RJZOUPMTYJYFRL-VSGBNLITSA-N 1 1 535.710 5.219 50 0 KKAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)[C@H]1c1cccs1 ZINC000009432882 553262974 /nfs/dbraw/zinc/26/29/74/553262974.db2.gz CAUBVGXGZPIDAI-WUFINQPMSA-N 1 1 519.711 5.092 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009433322 553263126 /nfs/dbraw/zinc/26/31/26/553263126.db2.gz NQXXNRNWPQCWOE-VMPREFPWSA-N 1 1 533.738 6.229 50 0 KKAAMO C[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433506 553263347 /nfs/dbraw/zinc/26/33/47/553263347.db2.gz QEURWTABXZDXKQ-VSGBNLITSA-N 1 1 501.696 5.610 50 0 KKAAMO CC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)CC2)cc1 ZINC000009531162 553277798 /nfs/dbraw/zinc/27/77/98/553277798.db2.gz FMIIERQGSGWAFH-UHFFFAOYSA-N 1 1 508.025 6.270 50 0 KKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000009693922 553299257 /nfs/dbraw/zinc/29/92/57/553299257.db2.gz MWZGBLZEZBKAHQ-QFIPXVFZSA-N 1 1 527.496 5.826 50 0 KKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000009693921 553299282 /nfs/dbraw/zinc/29/92/82/553299282.db2.gz MWZGBLZEZBKAHQ-JOCHJYFZSA-N 1 1 527.496 5.826 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](C3C4CC5CC(C4)CC3C5)C2)cc1 ZINC000011911109 553348627 /nfs/dbraw/zinc/34/86/27/553348627.db2.gz WPKJHLMYZHXGSJ-DMZDNULSSA-N 1 1 516.711 5.019 50 0 KKAAMO Cc1ccsc1C(=O)N1CCCC[C@H]1CCOc1ccc(C[N@H+](C)Cc2cccc3ncccc23)cc1 ZINC000011909868 553348771 /nfs/dbraw/zinc/34/87/71/553348771.db2.gz PWEYKJDXKJDBOG-SANMLTNESA-N 1 1 513.707 6.701 50 0 KKAAMO O=C(COc1ccc(-c2ncccn2)cc1C[N@@H+]1CC=C(c2ccccc2)CC1)NCc1ccc(F)cc1 ZINC000012041276 553350448 /nfs/dbraw/zinc/35/04/48/553350448.db2.gz WYZLVGXQLRCXJU-UHFFFAOYSA-N 1 1 508.597 5.267 50 0 KKAAMO CCOc1ccccc1C[N@@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)OC)C1 ZINC000012190829 553353573 /nfs/dbraw/zinc/35/35/73/553353573.db2.gz CSLREHJRPYXZKU-BKMJKUGQSA-N 1 1 533.635 5.070 50 0 KKAAMO CCOc1ccccc1C[N@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)OC)C1 ZINC000012190829 553353575 /nfs/dbraw/zinc/35/35/75/553353575.db2.gz CSLREHJRPYXZKU-BKMJKUGQSA-N 1 1 533.635 5.070 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3cc(C)c(OC)cc3C)C2)cc1 ZINC000012242025 553354547 /nfs/dbraw/zinc/35/45/47/553354547.db2.gz CWRVEYUJDXSZIP-SXOMAYOGSA-N 1 1 530.694 5.020 50 0 KKAAMO COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c(Cl)c3n2)c1 ZINC000012371607 553360507 /nfs/dbraw/zinc/36/05/07/553360507.db2.gz FWOKAQXKGWTQAU-QFBILLFUSA-N 1 1 522.955 5.498 50 0 KKAAMO O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N(c1ccccc1)c1ccccc1 ZINC000012630975 553405720 /nfs/dbraw/zinc/40/57/20/553405720.db2.gz BSNYMMUOCOXDNM-UHFFFAOYSA-N 1 1 503.646 6.065 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@H+](C)CC3)OCO2 ZINC000012659666 553411544 /nfs/dbraw/zinc/41/15/44/553411544.db2.gz HFVXXBWONQVENR-RTKHMDHHSA-N 1 1 535.725 5.852 50 0 biogenic KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@@H+](C)CC3)OCO2 ZINC000012659666 553411547 /nfs/dbraw/zinc/41/15/47/553411547.db2.gz HFVXXBWONQVENR-RTKHMDHHSA-N 1 1 535.725 5.852 50 0 biogenic KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000013686467 553485357 /nfs/dbraw/zinc/48/53/57/553485357.db2.gz FTKWEAPMPISEDC-GHMVGRGESA-N 1 1 518.032 7.359 50 0 KKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014744223 553519900 /nfs/dbraw/zinc/51/99/00/553519900.db2.gz BYPVCIDDVLVCNR-LOSJGSFVSA-N 1 1 511.597 5.078 50 0 KKAAMO COc1cccc(C(=O)N2CCC(Oc3ccc(C[N@@H+](C)Cc4cc5ccccc5s4)cc3)CC2)c1OC ZINC000014987542 553523832 /nfs/dbraw/zinc/52/38/32/553523832.db2.gz TWXCJSFSVPOJNG-UHFFFAOYSA-N 1 1 530.690 6.234 50 0 KKAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000014989877 553523841 /nfs/dbraw/zinc/52/38/41/553523841.db2.gz NFFBQQDMVBKFLX-IGKIAQTJSA-N 1 1 500.668 5.402 50 0 KKAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(OCc2ccccc2)c1 ZINC000014989877 553523843 /nfs/dbraw/zinc/52/38/43/553523843.db2.gz NFFBQQDMVBKFLX-IGKIAQTJSA-N 1 1 500.668 5.402 50 0 KKAAMO COC(=O)c1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000015946042 553544185 /nfs/dbraw/zinc/54/41/85/553544185.db2.gz HCYBNROQZMJTAY-IBGZPJMESA-N 1 1 525.715 5.608 50 0 KKAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946688 553544679 /nfs/dbraw/zinc/54/46/79/553544679.db2.gz PNCUAYJPWKXRAB-ROUUACIJSA-N 1 1 502.124 6.618 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946688 553544681 /nfs/dbraw/zinc/54/46/81/553544681.db2.gz PNCUAYJPWKXRAB-ROUUACIJSA-N 1 1 502.124 6.618 50 0 KKAAMO CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)C[C@H](C(C)(C)C)CC3)cc1 ZINC000015946780 553544941 /nfs/dbraw/zinc/54/49/41/553544941.db2.gz MJZWQDQMEUWRNW-HXUWFJFHSA-N 1 1 511.732 6.365 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2OC)N3)C1 ZINC000015947402 553545319 /nfs/dbraw/zinc/54/53/19/553545319.db2.gz DPANJZYYVHDYNS-INIZCTEOSA-N 1 1 501.244 5.089 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccco1 ZINC000015947344 553545330 /nfs/dbraw/zinc/54/53/30/553545330.db2.gz ZCAAOVOALVCQLN-RUZDIDTESA-N 1 1 515.591 5.556 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccco1 ZINC000015947344 553545332 /nfs/dbraw/zinc/54/53/32/553545332.db2.gz ZCAAOVOALVCQLN-RUZDIDTESA-N 1 1 515.591 5.556 50 0 KKAAMO O=C1N[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015947368 553545368 /nfs/dbraw/zinc/54/53/68/553545368.db2.gz WQSUVSAQFPKSLU-DEOSSOPVSA-N 1 1 510.446 7.302 50 0 KKAAMO O=C1N[C@H](c2ccc(-c3cccc(Cl)c3Cl)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015947368 553545370 /nfs/dbraw/zinc/54/53/70/553545370.db2.gz WQSUVSAQFPKSLU-DEOSSOPVSA-N 1 1 510.446 7.302 50 0 KKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016000316 553549652 /nfs/dbraw/zinc/54/96/52/553549652.db2.gz FNUYFHGFTXQGKP-BQJUDKOJSA-N 1 1 502.920 5.489 50 0 KKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016000316 553549654 /nfs/dbraw/zinc/54/96/54/553549654.db2.gz FNUYFHGFTXQGKP-BQJUDKOJSA-N 1 1 502.920 5.489 50 0 KKAAMO Cc1cc(C(C)(C)c2cc(C)c(NC(=O)C[NH+]3CCCCC3)c(C)c2)cc(C)c1NC(=O)CN1CCCCC1 ZINC000016676134 553571687 /nfs/dbraw/zinc/57/16/87/553571687.db2.gz OOBIYIDCPLELEN-UHFFFAOYSA-N 1 1 532.773 6.095 50 0 KKAAMO CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000020179786 553603607 /nfs/dbraw/zinc/60/36/07/553603607.db2.gz YWDAMYXQIVUZRE-ONUIUJJFSA-N 1 1 504.055 5.408 50 0 KKAAMO CSc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)c(N3CCC([N@H+]4CCC[C@@H](CO)C4)CC3)n2)cc1 ZINC000019113735 553612449 /nfs/dbraw/zinc/61/24/49/553612449.db2.gz HZWSQYVUNPCGFH-HSZRJFAPSA-N 1 1 536.786 5.548 50 0 KKAAMO CCOc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000019760177 553615734 /nfs/dbraw/zinc/61/57/34/553615734.db2.gz CUALZTSZGRKPMT-UHFFFAOYSA-N 1 1 527.668 6.848 50 0 KKAAMO Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019793728 553616823 /nfs/dbraw/zinc/61/68/23/553616823.db2.gz BKZOTWGHOXUWCB-UHFFFAOYSA-N 1 1 502.456 5.506 50 0 KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070701390 553621643 /nfs/dbraw/zinc/62/16/43/553621643.db2.gz UZSGWMDAKJOIFW-JZMUPVMCSA-N 1 1 538.003 5.409 50 0 biogenic KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070701390 553621646 /nfs/dbraw/zinc/62/16/46/553621646.db2.gz UZSGWMDAKJOIFW-JZMUPVMCSA-N 1 1 538.003 5.409 50 0 biogenic KKAAMO COc1cc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)ccc1OCC(=O)Nc1cccc(Cl)c1C ZINC000019831090 553622676 /nfs/dbraw/zinc/62/26/76/553622676.db2.gz DGWYGPJGIDXFFL-UHFFFAOYSA-N 1 1 524.086 5.168 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070706307 553627669 /nfs/dbraw/zinc/62/76/69/553627669.db2.gz PJAKLDZWFIABNU-BAAZAXTHSA-N 1 1 556.460 5.026 50 0 biogenic KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000020242703 553627811 /nfs/dbraw/zinc/62/78/11/553627811.db2.gz QRYDFPQVLUNFAK-NKAOBMQUSA-N 1 1 529.706 5.235 50 0 KKAAMO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@@H](O)C[NH+]2CCOCC2)c2ccccc12 ZINC000019885633 553629915 /nfs/dbraw/zinc/62/99/15/553629915.db2.gz UATDULITYYNLKM-SANMLTNESA-N 1 1 526.677 5.721 50 0 biogenic KKAAMO Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[N@@H+](Cc2ccccc2)C4)c(C)c1 ZINC000019907614 553633147 /nfs/dbraw/zinc/63/31/47/553633147.db2.gz VGUUAQFWJMGGKT-UHFFFAOYSA-N 1 1 523.727 6.915 50 0 KKAAMO Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[N@H+](Cc2ccccc2)C4)c(C)c1 ZINC000019907614 553633150 /nfs/dbraw/zinc/63/31/50/553633150.db2.gz VGUUAQFWJMGGKT-UHFFFAOYSA-N 1 1 523.727 6.915 50 0 KKAAMO CCOC(=O)c1c(NC(=O)N[C@H](C)c2c3c(sc2-n2cccc2)C[N@H+](CC)CC3)sc2c1CCCC2 ZINC000020386533 553643974 /nfs/dbraw/zinc/64/39/74/553643974.db2.gz JNAHSFRKKLRWEJ-QGZVFWFLSA-N 1 1 526.728 5.917 50 0 KKAAMO Cc1cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)ccc1Br ZINC000020386620 553644017 /nfs/dbraw/zinc/64/40/17/553644017.db2.gz VJRIEKKGGXLZFL-QFIPXVFZSA-N 1 1 529.548 6.897 50 0 KKAAMO CC[C@@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020386540 553644118 /nfs/dbraw/zinc/64/41/18/553644118.db2.gz WBFFGWZLLSMJCY-GOSISDBHSA-N 1 1 503.068 5.860 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000072177059 553645634 /nfs/dbraw/zinc/64/56/34/553645634.db2.gz VSTLDFFVZAQSGM-SZPZYZBQSA-N 1 1 580.150 5.431 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 ZINC000072174347 553645732 /nfs/dbraw/zinc/64/57/32/553645732.db2.gz PUXUIXQOXURORP-UHFFFAOYSA-N 1 1 580.150 5.718 50 0 KKAAMO Cc1c(OC[C@H](O)C[N@@H+](Cc2ccco2)C[C@H](O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000079232059 553672531 /nfs/dbraw/zinc/67/25/31/553672531.db2.gz SJIBRIFFYJSNFM-MEKGRNQZSA-N 1 1 713.783 7.125 50 0 biogenic KKAAMO Cc1c(OC[C@H](O)C[N@H+](Cc2ccco2)C[C@H](O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000079232059 553672532 /nfs/dbraw/zinc/67/25/32/553672532.db2.gz SJIBRIFFYJSNFM-MEKGRNQZSA-N 1 1 713.783 7.125 50 0 biogenic KKAAMO CC(C)c1nnc(SCc2ccccc2C(=O)N2CC[NH+](C)CC2)n1-c1cccc(C(F)(F)F)c1 ZINC000085405233 553679617 /nfs/dbraw/zinc/67/96/17/553679617.db2.gz LJDYOXLMRBJYNX-UHFFFAOYSA-N 1 1 503.594 5.089 50 0 KKAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2 ZINC000020685293 553688615 /nfs/dbraw/zinc/68/86/15/553688615.db2.gz KKPMNNNCFNDFRI-UHFFFAOYSA-N 1 1 522.070 5.104 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)c(C)c1 ZINC000020687195 553689387 /nfs/dbraw/zinc/68/93/87/553689387.db2.gz RWCHXWGSPHPFOK-NBJCSOOUSA-N 1 1 504.630 6.175 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)c(C)c1 ZINC000020687195 553689389 /nfs/dbraw/zinc/68/93/89/553689389.db2.gz RWCHXWGSPHPFOK-NBJCSOOUSA-N 1 1 504.630 6.175 50 0 KKAAMO C[N@@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000020726409 553690313 /nfs/dbraw/zinc/69/03/13/553690313.db2.gz BLAOSVWMWWXTHM-ITYLOYPMSA-N 1 1 506.071 5.458 50 0 KKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020737671 553694679 /nfs/dbraw/zinc/69/46/79/553694679.db2.gz KWPZNKJRBDWMGN-DGXULUGGSA-N 1 1 511.691 5.889 50 0 KKAAMO O[C@@H](CC1c2ccccc2-c2ccccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000020790583 553698120 /nfs/dbraw/zinc/69/81/20/553698120.db2.gz GJHFZSLUXJCFOI-UIOOFZCWSA-N 1 1 531.700 5.337 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2C)CC1 ZINC000021162953 553708911 /nfs/dbraw/zinc/70/89/11/553708911.db2.gz VFNCNNXEBYUUKP-HHHXNRCGSA-N 1 1 501.719 5.380 50 0 KKAAMO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000021163044 553709264 /nfs/dbraw/zinc/70/92/64/553709264.db2.gz MYFZSIHIDRFXCK-PSWAGMNNSA-N 1 1 501.719 5.094 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NC1CCCCCC1)N(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C3=O ZINC000021522720 553710174 /nfs/dbraw/zinc/71/01/74/553710174.db2.gz FRSNJQLLJBIKCD-IKBQMQIHSA-N 1 1 522.734 5.071 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccc(F)c3)CC2)cc1 ZINC000021796594 553717088 /nfs/dbraw/zinc/71/70/88/553717088.db2.gz GMHGUGHEPHKSDW-UHFFFAOYSA-N 1 1 521.596 5.588 50 0 KKAAMO COc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3C)CC2)cc1 ZINC000021796617 553717395 /nfs/dbraw/zinc/71/73/95/553717395.db2.gz HHXOYCMUNDSAKX-UHFFFAOYSA-N 1 1 503.606 5.367 50 0 KKAAMO O=C(c1cccs1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021796691 553717446 /nfs/dbraw/zinc/71/74/46/553717446.db2.gz ZRTOGBMGSASJGC-UHFFFAOYSA-N 1 1 500.027 5.765 50 0 KKAAMO Cc1[nH]c2ccccc2c1[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccc(Cl)cc2)CC1 ZINC000096021770 553717657 /nfs/dbraw/zinc/71/76/57/553717657.db2.gz DVBCZISYLKUKGP-TYHGNQNSSA-N 1 1 593.602 9.069 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccc(OC)cc4)c(CCC(=O)N4CC[NH+](CC)CC4)n3c2)c1 ZINC000096287454 553738360 /nfs/dbraw/zinc/73/83/60/553738360.db2.gz TWESBODACJRCMH-UHFFFAOYSA-N 1 1 512.654 5.172 50 0 KKAAMO CC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)NC(C)(C)C)CC4)n3c2)cc1 ZINC000096289678 553741688 /nfs/dbraw/zinc/74/16/88/553741688.db2.gz ADTOGZIESOLQMY-UHFFFAOYSA-N 1 1 509.654 5.497 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(Cc4ccccc4)n3-c3cccc(C)c3)c2)CC1 ZINC000096289817 553742356 /nfs/dbraw/zinc/74/23/56/553742356.db2.gz QQBKMPVLYXZGHM-UHFFFAOYSA-N 1 1 511.695 5.237 50 0 KKAAMO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000022450012 553742419 /nfs/dbraw/zinc/74/24/19/553742419.db2.gz JSINNAXMFTZUHV-IZZNHLLZSA-N 1 1 601.578 6.249 50 0 KKAAMO CC(C)(C)CC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cc5ccccc5s4)cn32)CC1 ZINC000096290081 553743116 /nfs/dbraw/zinc/74/31/16/553743116.db2.gz OKZSZDFNFHAYSI-UHFFFAOYSA-N 1 1 522.718 6.963 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2)CC1 ZINC000096291211 553744771 /nfs/dbraw/zinc/74/47/71/553744771.db2.gz WXJDSCLJBNPCSI-UHFFFAOYSA-N 1 1 519.074 5.053 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccs3)n2-c2ccccc2C)CC1 ZINC000096292337 553746188 /nfs/dbraw/zinc/74/61/88/553746188.db2.gz FZWCYJCYTFUULF-UHFFFAOYSA-N 1 1 503.697 5.374 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)C5CCCC5)CC4)n3c2)c1 ZINC000096292426 553746264 /nfs/dbraw/zinc/74/62/64/553746264.db2.gz FBSDIRAWZKTZLW-UHFFFAOYSA-N 1 1 508.666 5.901 50 0 KKAAMO Fc1ccc(OCC[NH+]2CCN([C@H]3Cc4ccc(Cl)cc4Sc4ccc(Cl)cc43)CC2)cc1 ZINC000096593938 553756725 /nfs/dbraw/zinc/75/67/25/553756725.db2.gz WJFVWSMPUNYCOB-DEOSSOPVSA-N 1 1 503.470 6.578 50 0 KKAAMO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 ZINC000022873395 553766114 /nfs/dbraw/zinc/76/61/14/553766114.db2.gz VHVJBTKSEFANSC-CLJLJLNGSA-N 1 1 611.584 5.705 50 0 KKAAMO Cc1[nH]c2ccccc2c1[C@@H](c1ccccc1)[NH+]1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccccc2)CC1 ZINC000022917928 553766894 /nfs/dbraw/zinc/76/68/94/553766894.db2.gz RMJFSURTHRYTEK-TYHGNQNSSA-N 1 1 524.712 7.763 50 0 KKAAMO Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097945580 553773156 /nfs/dbraw/zinc/77/31/56/553773156.db2.gz VYHOQGOZDHMSJK-UHFFFAOYSA-N 1 1 532.087 7.411 50 0 KKAAMO CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3n2)s1 ZINC000097948501 553794401 /nfs/dbraw/zinc/79/44/01/553794401.db2.gz HYQXFYLOZOWCFG-UHFFFAOYSA-N 1 1 575.660 6.586 50 0 KKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000097949333 553801430 /nfs/dbraw/zinc/80/14/30/553801430.db2.gz BCCBDMWBPMBVMZ-UHFFFAOYSA-N 1 1 542.521 7.054 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1OC ZINC000025575499 553810391 /nfs/dbraw/zinc/81/03/91/553810391.db2.gz QDPZSALRNGWBHN-JWQCQUIFSA-N 1 1 517.383 5.271 50 0 KKAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)c(Br)c2)N2NC=NC2=[NH+]3)c1 ZINC000025784119 553814195 /nfs/dbraw/zinc/81/41/95/553814195.db2.gz PLQWLBJEVQMNFS-RPBOFIJWSA-N 1 1 517.383 5.271 50 0 KKAAMO O=C(/C=C/c1ccccc1Cl)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000097956027 553835694 /nfs/dbraw/zinc/83/56/94/553835694.db2.gz LLOACMPDRXLCRN-XNTDXEJSSA-N 1 1 543.922 7.001 50 0 KKAAMO COC(=O)C1(C(=O)OC)[C@H]2c3ccccc3C=C[N@@H+]2[C@H](C(=O)c2ccc(Cl)cc2Cl)[C@H]1c1ccccc1 ZINC000097956265 553837303 /nfs/dbraw/zinc/83/73/03/553837303.db2.gz XZLDJIMNFYMIEX-RMTZWNOUSA-N 1 1 536.411 5.702 50 0 KKAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4F)C3=O)c2)CC1 ZINC000097956312 553837733 /nfs/dbraw/zinc/83/77/33/553837733.db2.gz YGAIGJWUCYLGLE-DAJTYMAISA-N 1 1 547.627 5.720 50 0 KKAAMO Cc1nc(SCc2cccc(C(=O)NCc3ccco3)c2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097956392 553838468 /nfs/dbraw/zinc/83/84/68/553838468.db2.gz MYBFQAGOINGEKI-KPKJPENVSA-N 1 1 553.732 5.744 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCCCCC3)cc2c1=O)Cc1ccccc1 ZINC000029749743 553852484 /nfs/dbraw/zinc/85/24/84/553852484.db2.gz AYKBDWCRYVBRPV-UHFFFAOYSA-N 1 1 580.795 5.008 50 0 KKAAMO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000097963382 553889310 /nfs/dbraw/zinc/88/93/10/553889310.db2.gz RYMQTFDVKXIFQT-UHFFFAOYSA-N 1 1 580.801 6.218 50 0 KKAAMO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000097963382 553889311 /nfs/dbraw/zinc/88/93/11/553889311.db2.gz RYMQTFDVKXIFQT-UHFFFAOYSA-N 1 1 580.801 6.218 50 0 KKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963384 553889354 /nfs/dbraw/zinc/88/93/54/553889354.db2.gz ZQJWYXGTDQWBIL-UHFFFAOYSA-N 1 1 552.747 5.440 50 0 KKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963384 553889355 /nfs/dbraw/zinc/88/93/55/553889355.db2.gz ZQJWYXGTDQWBIL-UHFFFAOYSA-N 1 1 552.747 5.440 50 0 KKAAMO COc1cc(C[N@H+](Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)CC(C)C)cc(OC)c1OC ZINC000033068994 553905745 /nfs/dbraw/zinc/90/57/45/553905745.db2.gz BVCVAUKTXZUCPX-UHFFFAOYSA-N 1 1 511.619 5.246 50 0 KKAAMO CSc1cccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)c1 ZINC000033357100 553946294 /nfs/dbraw/zinc/94/62/94/553946294.db2.gz AIQSOBWIXQIKFL-LJAQVGFWSA-N 1 1 622.260 5.601 50 0 KKAAMO COc1cc(NC(=O)C(C)(C)N(C[C@H]2CCC[N@H+]3CCCC[C@@H]23)C(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000033435676 553960210 /nfs/dbraw/zinc/96/02/10/553960210.db2.gz OOABJYJUKFWDEH-RLWLMLJZSA-N 1 1 528.093 5.481 50 0 KKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@H]2c2ccccc2)c1 ZINC000034671837 553982641 /nfs/dbraw/zinc/98/26/41/553982641.db2.gz SJICJDFQSJIVDR-NRUKRWIHSA-N 1 1 508.637 6.366 50 0 KKAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034683705 553985850 /nfs/dbraw/zinc/98/58/50/553985850.db2.gz JSFVQIRJFQJTDM-UHFFFAOYSA-N 1 1 510.528 5.844 50 0 KKAAMO COc1ccc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000034683653 553986018 /nfs/dbraw/zinc/98/60/18/553986018.db2.gz TUMMIEMOLZNUNW-UHFFFAOYSA-N 1 1 501.048 5.217 50 0 KKAAMO Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000034683717 553986037 /nfs/dbraw/zinc/98/60/37/553986037.db2.gz WAURHNVJRCNXKD-UHFFFAOYSA-N 1 1 530.665 6.786 50 0 KKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1O ZINC000034683906 553986335 /nfs/dbraw/zinc/98/63/35/553986335.db2.gz NPRYSKAHDVBJKQ-UHFFFAOYSA-N 1 1 505.011 5.053 50 0 KKAAMO Cc1ccc(N(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000034683799 553986401 /nfs/dbraw/zinc/98/64/01/553986401.db2.gz ZNRYBYHTWHIUGY-UHFFFAOYSA-N 1 1 526.702 6.956 50 0 KKAAMO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)cc1 ZINC000034683914 553986407 /nfs/dbraw/zinc/98/64/07/553986407.db2.gz JPTTVVRMKODTMV-UHFFFAOYSA-N 1 1 506.565 6.013 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685546 553986557 /nfs/dbraw/zinc/98/65/57/553986557.db2.gz JTRWYHLIOZQWIU-JSOSNVBQSA-N 1 1 512.625 6.382 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685546 553986560 /nfs/dbraw/zinc/98/65/60/553986560.db2.gz JTRWYHLIOZQWIU-JSOSNVBQSA-N 1 1 512.625 6.382 50 0 KKAAMO O=C(NCc1ccncc1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@H+](Cc2ccccc2)CC3)o1 ZINC000034685556 553987044 /nfs/dbraw/zinc/98/70/44/553987044.db2.gz GMHHKUHCWCWXRL-MGBGTMOVSA-N 1 1 529.640 6.331 50 0 KKAAMO CC(C)CNC(=O)c1coc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)n1 ZINC000034685552 553987077 /nfs/dbraw/zinc/98/70/77/553987077.db2.gz GZSOPWKRSAKUNT-SSEXGKCCSA-N 1 1 513.613 5.926 50 0 KKAAMO CC(C)CNC(=O)c1coc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)n1 ZINC000034685552 553987079 /nfs/dbraw/zinc/98/70/79/553987079.db2.gz GZSOPWKRSAKUNT-SSEXGKCCSA-N 1 1 513.613 5.926 50 0 KKAAMO COc1ccc([C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699338 553992377 /nfs/dbraw/zinc/99/23/77/553992377.db2.gz NNXCOQQFPCDIQP-RBJSKKJNSA-N 1 1 514.563 6.117 50 0 KKAAMO CC(C)c1ccc(NC(=O)N2CCc3nc(N4CC[NH+](C)CC4)nc(Oc4ccc(F)c(F)c4)c3C2)cc1 ZINC000034757163 553999999 /nfs/dbraw/zinc/99/99/99/553999999.db2.gz IASMDNBNUACPCY-UHFFFAOYSA-N 1 1 522.600 5.013 50 0 KKAAMO Cc1cccc(Oc2nc(N3CC[NH+](C)CC3)nc3c2CN(C(=O)Nc2ccc(C(C)C)cc2)CC3)c1 ZINC000034757395 554000224 /nfs/dbraw/zinc/00/02/24/554000224.db2.gz IWLAVPZFJXJKSM-UHFFFAOYSA-N 1 1 500.647 5.043 50 0 KKAAMO C[C@@H](C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1)[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000034830140 554014715 /nfs/dbraw/zinc/01/47/15/554014715.db2.gz BLAQZSUKHHJVMW-ZTOMLWHTSA-N 1 1 509.675 5.222 50 0 KKAAMO C[C@@H](C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1)[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000034830140 554014718 /nfs/dbraw/zinc/01/47/18/554014718.db2.gz BLAQZSUKHHJVMW-ZTOMLWHTSA-N 1 1 509.675 5.222 50 0 KKAAMO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830246 554014944 /nfs/dbraw/zinc/01/49/44/554014944.db2.gz MIOIMFUAKFSCJR-GIGWZHCTSA-N 1 1 509.760 5.671 50 0 KKAAMO CC[C@H](C(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830416 554015605 /nfs/dbraw/zinc/01/56/05/554015605.db2.gz QLBLTERBNPVWOT-QECWJDIYSA-N 1 1 529.750 5.647 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034830513 554016118 /nfs/dbraw/zinc/01/61/18/554016118.db2.gz OLTYFLBAIKJLOR-PPHZAIPVSA-N 1 1 526.077 5.251 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000034830491 554016205 /nfs/dbraw/zinc/01/62/05/554016205.db2.gz MTJLHYJHKWMQOD-SSEXGKCCSA-N 1 1 533.713 5.552 50 0 KKAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830554 554016678 /nfs/dbraw/zinc/01/66/78/554016678.db2.gz YGVLIVLQCUTCGO-LGGPFLRQSA-N 1 1 519.686 5.160 50 0 KKAAMO COc1cc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000097985315 554022458 /nfs/dbraw/zinc/02/24/58/554022458.db2.gz LRTSRDOEXNJAEM-GGXMVOPNSA-N 1 1 635.687 6.117 50 0 KKAAMO O=S(=O)(c1nnn2c1nc(N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)c1ccccc12)c1ccccc1 ZINC000097986813 554025723 /nfs/dbraw/zinc/02/57/23/554025723.db2.gz CKQHSZZIRMBWIB-UHFFFAOYSA-N 1 1 560.683 5.022 50 0 KKAAMO CCCCCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(S(=O)(=O)N[C@H]2CCCc3ccccc32)c1 ZINC000034919644 554030814 /nfs/dbraw/zinc/03/08/14/554030814.db2.gz PXLKBQOCEKHUOW-SANMLTNESA-N 1 1 526.747 5.093 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2OC)CC[N@H+](C)C4)cc1 ZINC000035427112 554050614 /nfs/dbraw/zinc/05/06/14/554050614.db2.gz GFVGRPDDUIHNIT-HHHXNRCGSA-N 1 1 514.651 5.681 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2OC)CC[N@@H+](C)C4)cc1 ZINC000035427112 554050617 /nfs/dbraw/zinc/05/06/17/554050617.db2.gz GFVGRPDDUIHNIT-HHHXNRCGSA-N 1 1 514.651 5.681 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(C)c2)CC[N@H+](C)C4)cc1 ZINC000035427139 554050653 /nfs/dbraw/zinc/05/06/53/554050653.db2.gz NWFNYLIKMLABBD-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(C)c2)CC[N@@H+](C)C4)cc1 ZINC000035427139 554050657 /nfs/dbraw/zinc/05/06/57/554050657.db2.gz NWFNYLIKMLABBD-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2C)CC[N@H+](C)C4)cc1 ZINC000035427141 554050700 /nfs/dbraw/zinc/05/07/00/554050700.db2.gz KXCHHPPEJHDYPQ-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2C)CC[N@@H+](C)C4)cc1 ZINC000035427141 554050704 /nfs/dbraw/zinc/05/07/04/554050704.db2.gz KXCHHPPEJHDYPQ-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2Cl)CC[N@@H+](C)C4)cc1 ZINC000035427122 554050812 /nfs/dbraw/zinc/05/08/12/554050812.db2.gz PISZQAUQDGFCOY-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2Cl)CC[N@H+](C)C4)cc1 ZINC000035427122 554050809 /nfs/dbraw/zinc/05/08/09/554050809.db2.gz PISZQAUQDGFCOY-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427218 554051135 /nfs/dbraw/zinc/05/11/35/554051135.db2.gz RWOODVLTMFEULJ-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)cc1 ZINC000035427218 554051138 /nfs/dbraw/zinc/05/11/38/554051138.db2.gz RWOODVLTMFEULJ-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(C)c2C)CC[N@H+](C)C4)c1 ZINC000035427297 554051809 /nfs/dbraw/zinc/05/18/09/554051809.db2.gz IXJHWJATCJOSTL-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(C)c2C)CC[N@@H+](C)C4)c1 ZINC000035427297 554051812 /nfs/dbraw/zinc/05/18/12/554051812.db2.gz IXJHWJATCJOSTL-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2F)CC[N@@H+](C)C4)c1 ZINC000035427332 554052003 /nfs/dbraw/zinc/05/20/03/554052003.db2.gz GJKNFVPBYSECKZ-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2F)CC[N@H+](C)C4)c1 ZINC000035427332 554052000 /nfs/dbraw/zinc/05/20/00/554052000.db2.gz GJKNFVPBYSECKZ-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(OC)c1)C[N@H+](C)CC3 ZINC000035427307 554052041 /nfs/dbraw/zinc/05/20/41/554052041.db2.gz FAWOHCXYEGJTMH-NDEPHWFRSA-N 1 1 528.678 6.071 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(OC)c1)C[N@@H+](C)CC3 ZINC000035427307 554052039 /nfs/dbraw/zinc/05/20/39/554052039.db2.gz FAWOHCXYEGJTMH-NDEPHWFRSA-N 1 1 528.678 6.071 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(OC)c1)C[N@@H+](C)CC3 ZINC000035427313 554052055 /nfs/dbraw/zinc/05/20/55/554052055.db2.gz LKTKGRJRWHAMIU-MUUNZHRXSA-N 1 1 512.679 6.235 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(OC)c1)C[N@H+](C)CC3 ZINC000035427313 554052057 /nfs/dbraw/zinc/05/20/57/554052057.db2.gz LKTKGRJRWHAMIU-MUUNZHRXSA-N 1 1 512.679 6.235 50 0 KKAAMO CSc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@@H+](C)CC4)c1 ZINC000035427384 554052398 /nfs/dbraw/zinc/05/23/98/554052398.db2.gz IOQLBUJUXRTCOL-SANMLTNESA-N 1 1 500.693 6.386 50 0 KKAAMO CSc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@H+](C)CC4)c1 ZINC000035427384 554052400 /nfs/dbraw/zinc/05/24/00/554052400.db2.gz IOQLBUJUXRTCOL-SANMLTNESA-N 1 1 500.693 6.386 50 0 KKAAMO O=C(OC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br ZINC000098005990 554060290 /nfs/dbraw/zinc/06/02/90/554060290.db2.gz BMDPDQKQDWHOTJ-UKRRQHHQSA-N 1 1 527.341 5.192 50 0 KKAAMO CC(C)COC[C@H](O)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842649 554081272 /nfs/dbraw/zinc/08/12/72/554081272.db2.gz JQNMNKUASMFAQB-GDLZYMKVSA-N 1 1 535.773 5.781 50 0 KKAAMO CC(C)[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000035842743 554081690 /nfs/dbraw/zinc/08/16/90/554081690.db2.gz FGVBYLSWYFAZHQ-UHFFFAOYSA-N 1 1 530.156 7.601 50 0 KKAAMO Cc1ccc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C(C)C)cc1 ZINC000035843675 554082462 /nfs/dbraw/zinc/08/24/62/554082462.db2.gz MJCRBVWZEIPRPH-UHFFFAOYSA-N 1 1 522.520 7.265 50 0 KKAAMO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCc4ccccc4)C[C@H]23)cc1 ZINC000035871461 554085952 /nfs/dbraw/zinc/08/59/52/554085952.db2.gz SNBZYKGSARCDRH-AHKZPQOWSA-N 1 1 509.572 5.258 50 0 KKAAMO CC[N@H+](Cc1nn(-c2ccccc2)c2c1CN(Cc1cc(F)ccc1F)CC2)C[C@H](O)Cc1ccccc1 ZINC000035887344 554088772 /nfs/dbraw/zinc/08/87/72/554088772.db2.gz GDGPIOMHNOXQIS-HHHXNRCGSA-N 1 1 516.636 5.134 50 0 KKAAMO CC[N@@H+](Cc1nn(-c2ccccc2)c2c1CN(Cc1cc(F)ccc1F)CC2)C[C@H](O)Cc1ccccc1 ZINC000035887344 554088769 /nfs/dbraw/zinc/08/87/69/554088769.db2.gz GDGPIOMHNOXQIS-HHHXNRCGSA-N 1 1 516.636 5.134 50 0 KKAAMO Cc1ccc([C@@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cn(C)c3ccccc23)cc1 ZINC000035891594 554090664 /nfs/dbraw/zinc/09/06/64/554090664.db2.gz AOHAKNPANGQFKG-JGCGQSQUSA-N 1 1 527.712 6.943 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4cccc(C)c4)cnn(-c4cccc(Cl)c4)c3=O)c2)CC1 ZINC000098015488 554099836 /nfs/dbraw/zinc/09/98/36/554099836.db2.gz JCAWSRJISMNTPT-UHFFFAOYSA-N 1 1 544.055 5.508 50 0 KKAAMO COc1cccc(C[N@H+]2CCCN(c3nc(Cc4ccc(C)cc4)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035927822 554101129 /nfs/dbraw/zinc/10/11/29/554101129.db2.gz OPHSKUANTZQTKE-UHFFFAOYSA-N 1 1 518.665 5.436 50 0 KKAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)Nc1ccc(C(F)(F)F)cc1)N(Cc1ccco1)Cc1ccccc1 ZINC000098017750 554109977 /nfs/dbraw/zinc/10/99/77/554109977.db2.gz XZDKMSMLMQMYGC-UHFFFAOYSA-N 1 1 558.601 5.084 50 0 KKAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)Nc1ccc(Cl)c(Cl)c1)N(Cc1ccco1)Cc1ccc2c(c1)OCO2 ZINC000098017706 554109986 /nfs/dbraw/zinc/10/99/86/554109986.db2.gz HNYQPRKDXBMPAG-UHFFFAOYSA-N 1 1 603.503 5.100 50 0 KKAAMO CCCCCc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000098017912 554111047 /nfs/dbraw/zinc/11/10/47/554111047.db2.gz OLHVTHSJSFRUJM-UHFFFAOYSA-N 1 1 545.724 5.406 50 0 KKAAMO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCCC2)S(=O)(=O)c2ccc(C)cc2)s1 ZINC000098019456 554112398 /nfs/dbraw/zinc/11/23/98/554112398.db2.gz HODHXHIUMPGHHS-UHFFFAOYSA-N 1 1 557.757 5.210 50 0 KKAAMO CC(C)[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(Cl)c1 ZINC000098020092 554116483 /nfs/dbraw/zinc/11/64/83/554116483.db2.gz CDDMFECERYAUCK-UHFFFAOYSA-N 1 1 542.938 7.610 50 0 KKAAMO O[C@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)CC1 ZINC000098043738 554128602 /nfs/dbraw/zinc/12/86/02/554128602.db2.gz IFUTVBBIKMJMLR-DQEYMECFSA-N 1 1 769.376 7.230 50 0 KKAAMO Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098045653 554133035 /nfs/dbraw/zinc/13/30/35/554133035.db2.gz JFGWREPGQKODLK-DHUJRADRSA-N 1 1 554.694 5.955 50 0 KKAAMO CC[C@H](NC(=O)c1ccc(OC)cc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048281 554154179 /nfs/dbraw/zinc/15/41/79/554154179.db2.gz TVKFHZYFXNNXIB-LITSAYRRSA-N 1 1 504.627 5.029 50 0 KKAAMO CC[C@H](NC(=O)c1ccc(OC)cc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048281 554154174 /nfs/dbraw/zinc/15/41/74/554154174.db2.gz TVKFHZYFXNNXIB-LITSAYRRSA-N 1 1 504.627 5.029 50 0 KKAAMO O[C@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000098048137 554159778 /nfs/dbraw/zinc/15/97/78/554159778.db2.gz XRPGHOCYUVKYDR-QHCPKHFHSA-N 1 1 665.357 5.225 50 0 KKAAMO Cc1nc(SCc2cccc(C(=O)NCC3CC3)c2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000036064122 554162879 /nfs/dbraw/zinc/16/28/79/554162879.db2.gz LWGVOHHFSZDSBC-YRNVUSSQSA-N 1 1 527.738 5.361 50 0 KKAAMO O=c1cc(C[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]2CCCc3ccccc32)nc2ccc(Br)cn12 ZINC000098050544 554175158 /nfs/dbraw/zinc/17/51/58/554175158.db2.gz KYNIVGOYUPFCTH-XMMPIXPASA-N 1 1 621.333 5.307 50 0 KKAAMO COc1ccc(S(=O)(=O)N(CC[NH+]2CCCCC2)Cc2csc(COc3cccc(C)c3C)n2)cc1 ZINC000036116624 554182121 /nfs/dbraw/zinc/18/21/21/554182121.db2.gz CZHIIARFFSEUET-UHFFFAOYSA-N 1 1 529.728 5.024 50 0 KKAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146777 554198038 /nfs/dbraw/zinc/19/80/38/554198038.db2.gz QCJNAHJYVVTTGL-GGAORHGYSA-N 1 1 519.856 6.082 50 0 KKAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146777 554198043 /nfs/dbraw/zinc/19/80/43/554198043.db2.gz QCJNAHJYVVTTGL-GGAORHGYSA-N 1 1 519.856 6.082 50 0 KKAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146617 554198073 /nfs/dbraw/zinc/19/80/73/554198073.db2.gz KBGXHVTYYITOHD-ZCYQVOJMSA-N 1 1 502.508 5.280 50 0 KKAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146617 554198069 /nfs/dbraw/zinc/19/80/69/554198069.db2.gz KBGXHVTYYITOHD-ZCYQVOJMSA-N 1 1 502.508 5.280 50 0 KKAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146785 554198151 /nfs/dbraw/zinc/19/81/51/554198151.db2.gz UNHRXELDSPPWLW-RBBKRZOGSA-N 1 1 523.844 5.813 50 0 KKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146132 554198248 /nfs/dbraw/zinc/19/82/48/554198248.db2.gz LVSXRMMZNVYCJR-FTJBHMTQSA-N 1 1 516.535 5.417 50 0 KKAAMO COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000100065339 554199491 /nfs/dbraw/zinc/19/94/91/554199491.db2.gz ONYKOVWHVPMPEP-IAPPQJPRSA-N 1 1 565.501 5.494 50 0 KKAAMO COc1ccccc1-c1csc2[nH]c(C[N@@H+](C[C@H](O)Cc3ccccc3)C3CCCCC3)nc(=O)c12 ZINC000036206572 554202247 /nfs/dbraw/zinc/20/22/47/554202247.db2.gz KGCPJHAHMBIRDR-JOCHJYFZSA-N 1 1 503.668 5.399 50 0 KKAAMO COc1ccccc1-c1csc2[nH]c(C[N@@H+](C[C@@H](O)Cc3ccccc3)C3CCCCC3)nc(=O)c12 ZINC000036206573 554202261 /nfs/dbraw/zinc/20/22/61/554202261.db2.gz KGCPJHAHMBIRDR-QFIPXVFZSA-N 1 1 503.668 5.399 50 0 KKAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036301712 554211284 /nfs/dbraw/zinc/21/12/84/554211284.db2.gz DMTHSWOYGWSFSY-HSZRJFAPSA-N 1 1 500.039 5.244 50 0 KKAAMO CCC[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@H](O)COC(C)C ZINC000036301652 554211368 /nfs/dbraw/zinc/21/13/68/554211368.db2.gz RKZXZPJSEJKVGM-QHCPKHFHSA-N 1 1 502.055 5.633 50 0 KKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000036301647 554211438 /nfs/dbraw/zinc/21/14/38/554211438.db2.gz QIMXNGXATPZSKZ-XXBNENTESA-N 1 1 502.055 5.633 50 0 KKAAMO CCC[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)C[C@@H](O)COC(C)C ZINC000036301655 554211450 /nfs/dbraw/zinc/21/14/50/554211450.db2.gz RKZXZPJSEJKVGM-HSZRJFAPSA-N 1 1 502.055 5.633 50 0 KKAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](O)COCc2ccco2)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301994 554211956 /nfs/dbraw/zinc/21/19/56/554211956.db2.gz YEZMOHUNVMYRPD-XMMPIXPASA-N 1 1 505.615 5.363 50 0 KKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036301765 554211990 /nfs/dbraw/zinc/21/19/90/554211990.db2.gz PVGUROUOJQAYPD-VWLOTQADSA-N 1 1 504.030 6.031 50 0 KKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036301765 554211994 /nfs/dbraw/zinc/21/19/94/554211994.db2.gz PVGUROUOJQAYPD-VWLOTQADSA-N 1 1 504.030 6.031 50 0 KKAAMO CCCC(=O)OC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036302406 554212349 /nfs/dbraw/zinc/21/23/49/554212349.db2.gz OFEBRPPTFJQPSJ-DEOSSOPVSA-N 1 1 509.647 5.144 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000036303149 554212798 /nfs/dbraw/zinc/21/27/98/554212798.db2.gz REDLDERBUNLCIL-AREMUKBSSA-N 1 1 515.629 5.908 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000036303149 554212794 /nfs/dbraw/zinc/21/27/94/554212794.db2.gz REDLDERBUNLCIL-AREMUKBSSA-N 1 1 515.629 5.908 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](O)Cc1ccccc1 ZINC000036303485 554213445 /nfs/dbraw/zinc/21/34/45/554213445.db2.gz RGCHIPDRWSIQIK-RUZDIDTESA-N 1 1 506.046 5.678 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](O)Cc1ccccc1 ZINC000036303485 554213449 /nfs/dbraw/zinc/21/34/49/554213449.db2.gz RGCHIPDRWSIQIK-RUZDIDTESA-N 1 1 506.046 5.678 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000036304092 554214389 /nfs/dbraw/zinc/21/43/89/554214389.db2.gz LERDNWHFGZNKJF-XMMPIXPASA-N 1 1 507.581 5.902 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COCC(C)C ZINC000036305083 554214918 /nfs/dbraw/zinc/21/49/18/554214918.db2.gz RTMPJBQYJYOANL-QHCPKHFHSA-N 1 1 502.055 5.015 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305600 554215457 /nfs/dbraw/zinc/21/54/57/554215457.db2.gz HTKFHQOSJUXRMI-OZXSUGGESA-N 1 1 523.674 5.045 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COCc3ccccc3)c(-c3ccccc3)nn2C)c1 ZINC000036305263 554215499 /nfs/dbraw/zinc/21/54/99/554215499.db2.gz ZBQWXVFAFVLXGY-MHZLTWQESA-N 1 1 529.681 5.924 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)c1Oc1cccc(F)c1 ZINC000036306997 554215763 /nfs/dbraw/zinc/21/57/63/554215763.db2.gz WMHKLIUWRXNTIR-SANMLTNESA-N 1 1 511.597 6.217 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)c1Oc1cccc(F)c1 ZINC000036306997 554215761 /nfs/dbraw/zinc/21/57/61/554215761.db2.gz WMHKLIUWRXNTIR-SANMLTNESA-N 1 1 511.597 6.217 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)COC(C)(C)C)c1Oc1cccc(F)c1 ZINC000036307018 554215828 /nfs/dbraw/zinc/21/58/28/554215828.db2.gz IAZNKVCARFVOTC-HSZRJFAPSA-N 1 1 507.606 5.790 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)COC(C)(C)C)c1Oc1cccc(F)c1 ZINC000036307018 554215830 /nfs/dbraw/zinc/21/58/30/554215830.db2.gz IAZNKVCARFVOTC-HSZRJFAPSA-N 1 1 507.606 5.790 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)c1Oc1ccccc1 ZINC000036308113 554216746 /nfs/dbraw/zinc/21/67/46/554216746.db2.gz XXTHOWNVJSXDMC-HHHXNRCGSA-N 1 1 523.633 6.052 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)c1Oc1ccccc1 ZINC000036308113 554216750 /nfs/dbraw/zinc/21/67/50/554216750.db2.gz XXTHOWNVJSXDMC-HHHXNRCGSA-N 1 1 523.633 6.052 50 0 KKAAMO Cc1ccc(NC(=O)N(Cc2c(-c3ccc(F)cc3)noc2N2CC[NH+](C)CC2)Cc2ccccc2)cc1 ZINC000036312865 554218970 /nfs/dbraw/zinc/21/89/70/554218970.db2.gz AUFCHMGQRQSUHZ-UHFFFAOYSA-N 1 1 513.617 5.775 50 0 KKAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c1 ZINC000036343873 554222414 /nfs/dbraw/zinc/22/24/14/554222414.db2.gz YCFIVVGXCDGMHQ-GDLZYMKVSA-N 1 1 501.074 5.452 50 0 KKAAMO Cc1ccc(C)c([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000036344551 554223256 /nfs/dbraw/zinc/22/32/56/554223256.db2.gz NCDCVTVZBHOORD-GDLZYMKVSA-N 1 1 501.074 5.452 50 0 KKAAMO COc1cccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(C)cc3)CC2)c1 ZINC000036628260 554228657 /nfs/dbraw/zinc/22/86/57/554228657.db2.gz ZDTUPQWZTTZJIW-UHFFFAOYSA-N 1 1 503.606 5.367 50 0 KKAAMO Cc1cccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)c1 ZINC000037523715 554250139 /nfs/dbraw/zinc/25/01/39/554250139.db2.gz QJCSLMJOOZUZDU-UHSQPCAPSA-N 1 1 526.618 7.167 50 0 KKAAMO Cc1cccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3)C2)c1 ZINC000037524397 554250439 /nfs/dbraw/zinc/25/04/39/554250439.db2.gz MBWCVSFPSHMRRG-PXJZQJOASA-N 1 1 508.628 7.028 50 0 KKAAMO COc1cccc(Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3sc(Br)cc32)c1 ZINC000037543039 554251105 /nfs/dbraw/zinc/25/11/05/554251105.db2.gz QLGPUSQRBPVUTJ-UHFFFAOYSA-N 1 1 524.484 5.480 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000100225795 554253274 /nfs/dbraw/zinc/25/32/74/554253274.db2.gz OUDOPQGDHPZRET-LSYYVWMOSA-N 1 1 548.716 5.457 50 0 KKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c1 ZINC000046853951 554321179 /nfs/dbraw/zinc/32/11/79/554321179.db2.gz CPEOKSKDCYDPLR-UHFFFAOYSA-N 1 1 538.051 5.777 50 0 KKAAMO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000049766992 554325618 /nfs/dbraw/zinc/32/56/18/554325618.db2.gz HRKFJRCDWJUEPA-HSZRJFAPSA-N 1 1 631.412 7.068 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(OC)cc2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000053336456 554341724 /nfs/dbraw/zinc/34/17/24/554341724.db2.gz FXBAZEBTVNSWLW-UHFFFAOYSA-N 1 1 555.725 6.315 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(OC)cc2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000053336456 554341726 /nfs/dbraw/zinc/34/17/26/554341726.db2.gz FXBAZEBTVNSWLW-UHFFFAOYSA-N 1 1 555.725 6.315 50 0 KKAAMO CCOc1ccccc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000100406761 554373846 /nfs/dbraw/zinc/37/38/46/554373846.db2.gz WJKLVRFZOLBBQG-UHFFFAOYSA-N 1 1 604.172 5.868 50 0 KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2)N(C)CC4 ZINC000100758580 554467481 /nfs/dbraw/zinc/46/74/81/554467481.db2.gz DFOCUWZXJBAUSQ-WDYNHAJCSA-N 1 1 608.735 6.859 50 0 KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000100758580 554467482 /nfs/dbraw/zinc/46/74/82/554467482.db2.gz DFOCUWZXJBAUSQ-WDYNHAJCSA-N 1 1 608.735 6.859 50 0 KKAAMO Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(N3CC[NH+](CCOc4ccccc4)CC3)n1-2 ZINC000064700360 554513815 /nfs/dbraw/zinc/51/38/15/554513815.db2.gz XASICACCYVTJDX-UHFFFAOYSA-N 1 1 533.463 5.126 50 0 KKAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000100954273 554538650 /nfs/dbraw/zinc/53/86/50/554538650.db2.gz SXCJAVKBSAZCFU-QPPBQGQZSA-N 1 1 540.611 5.642 50 0 KKAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(C(F)(F)F)cc1 ZINC000100954273 554538651 /nfs/dbraw/zinc/53/86/51/554538651.db2.gz SXCJAVKBSAZCFU-QPPBQGQZSA-N 1 1 540.611 5.642 50 0 KKAAMO COc1cc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc(OC)c1OC ZINC000101215377 554681190 /nfs/dbraw/zinc/68/11/90/554681190.db2.gz VTBZTUXAMCITBH-UHFFFAOYSA-N 1 1 549.631 5.076 50 0 KKAAMO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000101216236 554683189 /nfs/dbraw/zinc/68/31/89/554683189.db2.gz UYCKBFFCORJRQZ-MUUNZHRXSA-N 1 1 624.182 5.027 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000101226166 554688745 /nfs/dbraw/zinc/68/87/45/554688745.db2.gz KZKYUIVPCVBNOY-SZAHLOSFSA-N 1 1 579.716 6.344 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254810 554695556 /nfs/dbraw/zinc/69/55/56/554695556.db2.gz KYXQGERIYQJGQQ-YTTGMZPUSA-N 1 1 613.828 5.323 50 0 KKAAMO COc1ccc(C(O)=C2[C@@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101278067 554704462 /nfs/dbraw/zinc/70/44/62/554704462.db2.gz ZQTLDHOPIXQIMX-DJLQPTFLSA-N 1 1 532.621 5.738 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372240 554744696 /nfs/dbraw/zinc/74/46/96/554744696.db2.gz KXUSORJGNFQLRU-UQQNYGIVSA-N 1 1 541.667 6.177 50 0 KKAAMO CN1C(=O)/C(=C\c2ccccc2)Sc2ccc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000101372985 554745086 /nfs/dbraw/zinc/74/50/86/554745086.db2.gz KSBNEFFAIDBGOO-OVVQPSECSA-N 1 1 533.097 5.002 50 0 KKAAMO Cc1cccc(/C=C2\Sc3ccc(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3N(C)C2=O)c1 ZINC000101373752 554745553 /nfs/dbraw/zinc/74/55/53/554745553.db2.gz QCORWWMEVJXYCO-VEILYXNESA-N 1 1 547.124 5.310 50 0 KKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1S2 ZINC000101406974 554762218 /nfs/dbraw/zinc/76/22/18/554762218.db2.gz YDBKIQPKQSPWBG-QFIPXVFZSA-N 1 1 539.623 6.231 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O ZINC000101416206 554765030 /nfs/dbraw/zinc/76/50/30/554765030.db2.gz JPRGNBFNNXQAKX-QLKFWGTOSA-N 1 1 596.728 5.095 50 0 KKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000101424997 554768233 /nfs/dbraw/zinc/76/82/33/554768233.db2.gz JRVMOLMMRWIJHM-UHFFFAOYSA-N 1 1 557.576 6.157 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101492174 554786131 /nfs/dbraw/zinc/78/61/31/554786131.db2.gz BRBDOBQPLCPWOI-DIKZQZFXSA-N 1 1 559.453 5.073 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)cc3)C2=O)c1 ZINC000101506337 554790208 /nfs/dbraw/zinc/79/02/08/554790208.db2.gz XTTQKHFKHXWBCB-SGWCHETOSA-N 1 1 553.772 6.835 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101506589 554790388 /nfs/dbraw/zinc/79/03/88/554790388.db2.gz OKOUWOUTFZMVPU-LZBRRTOVSA-N 1 1 600.763 5.899 50 0 KKAAMO COc1cccc(C(=O)N2CCC[C@H](COc3ccc(C[N@@H+](C)Cc4cccc5ccccc54)cc3)C2)c1OC ZINC000101603900 554804775 /nfs/dbraw/zinc/80/47/75/554804775.db2.gz VTZDGGPXLGGHMY-SANMLTNESA-N 1 1 538.688 6.420 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000101634230 554812449 /nfs/dbraw/zinc/81/24/49/554812449.db2.gz GNBRLBWKUXIWFA-AFDYPQSWSA-N 1 1 572.569 5.708 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000101636881 554813139 /nfs/dbraw/zinc/81/31/39/554813139.db2.gz UHHNKBVQMVACJM-SJARJILFSA-N 1 1 631.173 5.748 50 0 KKAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000101636876 554813164 /nfs/dbraw/zinc/81/31/64/554813164.db2.gz DWERBXWKJZHGBE-SJARJILFSA-N 1 1 627.210 5.605 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101673811 554827379 /nfs/dbraw/zinc/82/73/79/554827379.db2.gz QKYXNOPQBNBDEM-BANVDVKSSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101673811 554827382 /nfs/dbraw/zinc/82/73/82/554827382.db2.gz QKYXNOPQBNBDEM-BANVDVKSSA-N 1 1 556.062 5.452 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2cc(C)ccc2C)C3=O)cc1 ZINC000101683757 554828854 /nfs/dbraw/zinc/82/88/54/554828854.db2.gz AZCDAKJQRRXXQV-IHZCURHOSA-N 1 1 534.656 6.266 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2cc(C)ccc2C)C3=O)cc1 ZINC000101683757 554828855 /nfs/dbraw/zinc/82/88/55/554828855.db2.gz AZCDAKJQRRXXQV-IHZCURHOSA-N 1 1 534.656 6.266 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000101683952 554828942 /nfs/dbraw/zinc/82/89/42/554828942.db2.gz HKMJGNJJAWSOOT-ISXOHIFFSA-N 1 1 541.047 6.302 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000101683952 554828944 /nfs/dbraw/zinc/82/89/44/554828944.db2.gz HKMJGNJJAWSOOT-ISXOHIFFSA-N 1 1 541.047 6.302 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000101840962 554843036 /nfs/dbraw/zinc/84/30/36/554843036.db2.gz OQXWCEYGVNMQCQ-IOWSJCHKSA-N 1 1 547.699 5.601 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Br)c3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101903779 554847824 /nfs/dbraw/zinc/84/78/24/554847824.db2.gz DRAZOBAZXNIPOI-SANMLTNESA-N 1 1 597.579 5.199 50 0 KKAAMO COc1cc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@@H+](C)CC4)cc1Cl ZINC000101916475 554850339 /nfs/dbraw/zinc/85/03/39/554850339.db2.gz DDXGGOLCUCKJLU-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO COc1cc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@H+](C)CC4)cc1Cl ZINC000101916475 554850340 /nfs/dbraw/zinc/85/03/40/554850340.db2.gz DDXGGOLCUCKJLU-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)CCc2nc(-c3cccs3)no2)CC1 ZINC000101917496 554850904 /nfs/dbraw/zinc/85/09/04/554850904.db2.gz PSHXIOKOWMPKMH-UHFFFAOYSA-N 1 1 565.696 5.079 50 0 KKAAMO COc1cc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](Cc3ccccc3)C5)cc2)cc(OC)c1OC ZINC000101975922 554862808 /nfs/dbraw/zinc/86/28/08/554862808.db2.gz YIHFBAAHIVGKBR-GDLZYMKVSA-N 1 1 585.682 5.980 50 0 KKAAMO COc1cc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](Cc3ccccc3)C5)cc2)cc(OC)c1OC ZINC000101975922 554862809 /nfs/dbraw/zinc/86/28/09/554862809.db2.gz YIHFBAAHIVGKBR-GDLZYMKVSA-N 1 1 585.682 5.980 50 0 KKAAMO COc1cc(C(=O)Oc2cccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](Cc3ccccc3)C5)c2)cc(OC)c1OC ZINC000101975846 554862820 /nfs/dbraw/zinc/86/28/20/554862820.db2.gz ACODIZANSZZNSO-LJAQVGFWSA-N 1 1 585.682 5.980 50 0 KKAAMO COc1cc(C(=O)Oc2cccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](Cc3ccccc3)C5)c2)cc(OC)c1OC ZINC000101975846 554862821 /nfs/dbraw/zinc/86/28/21/554862821.db2.gz ACODIZANSZZNSO-LJAQVGFWSA-N 1 1 585.682 5.980 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc(Cl)cc1)C3=O ZINC000101991019 554863890 /nfs/dbraw/zinc/86/38/90/554863890.db2.gz KSEILDOPDXTUFS-WPHQEQLXSA-N 1 1 551.131 5.202 50 0 KKAAMO COc1cccc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)c1OC ZINC000102079630 554875826 /nfs/dbraw/zinc/87/58/26/554875826.db2.gz QDUVGLSMEJDKNU-NDEPHWFRSA-N 1 1 553.703 6.348 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc(I)c1O ZINC000102084856 554876286 /nfs/dbraw/zinc/87/62/86/554876286.db2.gz ZZBIKJGJJNREBG-JOCHJYFZSA-N 1 1 561.445 5.444 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc(Br)c1OC(=O)c1ccc(C)cc1 ZINC000102096410 554879392 /nfs/dbraw/zinc/87/93/92/554879392.db2.gz CWEQXWDDVVQEDH-DEOSSOPVSA-N 1 1 570.509 6.242 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102098274 554880391 /nfs/dbraw/zinc/88/03/91/554880391.db2.gz AJUYWEKSDZUJOC-DEOSSOPVSA-N 1 1 570.509 6.324 50 0 KKAAMO Cc1ccc(-n2ncc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000102130747 554885554 /nfs/dbraw/zinc/88/55/54/554885554.db2.gz KWBRLDBBVCVQDH-UHFFFAOYSA-N 1 1 586.781 5.156 50 0 KKAAMO COc1ccc(C(=O)N2CC[NH+](CCCOC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1C(F)(F)F ZINC000102148469 554889447 /nfs/dbraw/zinc/88/94/47/554889447.db2.gz GWDURAXVFINALV-UHFFFAOYSA-N 1 1 581.462 6.975 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000102254120 554904208 /nfs/dbraw/zinc/90/42/08/554904208.db2.gz VGZUEQGSTMMCAP-NGQVCNFZSA-N 1 1 543.777 6.065 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102254125 554904219 /nfs/dbraw/zinc/90/42/19/554904219.db2.gz DGBGBNJZXBYKTR-KDYSTLNUSA-N 1 1 555.666 5.786 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102254108 554904256 /nfs/dbraw/zinc/90/42/56/554904256.db2.gz RGYKOMQVFFEZHE-DCFHFQCYSA-N 1 1 556.559 6.074 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)N[C@@H](C)CCc3ccccc3)nc3sc4c(c3c2=O)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000102290556 554907536 /nfs/dbraw/zinc/90/75/36/554907536.db2.gz RLVGFVGOPQJRGO-VWLOTQADSA-N 1 1 608.833 6.544 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)N[C@@H](C)CCc3ccccc3)nc3sc4c(c3c2=O)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000102290556 554907539 /nfs/dbraw/zinc/90/75/39/554907539.db2.gz RLVGFVGOPQJRGO-VWLOTQADSA-N 1 1 608.833 6.544 50 0 KKAAMO O=C(OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1)c1ccccc1C(F)(F)F ZINC000102447654 554930774 /nfs/dbraw/zinc/93/07/74/554930774.db2.gz AUUBFSWZVKVMSM-UHFFFAOYSA-N 1 1 576.084 6.826 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000102453324 554933702 /nfs/dbraw/zinc/93/37/02/554933702.db2.gz OZOYTCBULLGJRG-UUWRZZSWSA-N 1 1 611.750 7.839 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(OC)cc(OC)c2)CC[N@H+](C)C4)cc1 ZINC000102499606 554942226 /nfs/dbraw/zinc/94/22/26/554942226.db2.gz DYUFUMLECJWJIC-MUUNZHRXSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(OC)cc(OC)c2)CC[N@@H+](C)C4)cc1 ZINC000102499606 554942228 /nfs/dbraw/zinc/94/22/28/554942228.db2.gz DYUFUMLECJWJIC-MUUNZHRXSA-N 1 1 544.677 5.690 50 0 KKAAMO COC(=O)c1sccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000102499681 554942261 /nfs/dbraw/zinc/94/22/61/554942261.db2.gz KPBNDHQHTDVGNO-XMMPIXPASA-N 1 1 548.690 5.521 50 0 KKAAMO COC(=O)c1sccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000102499681 554942262 /nfs/dbraw/zinc/94/22/62/554942262.db2.gz KPBNDHQHTDVGNO-XMMPIXPASA-N 1 1 548.690 5.521 50 0 KKAAMO COc1cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)cc(OC)c1 ZINC000102500008 554942443 /nfs/dbraw/zinc/94/24/43/554942443.db2.gz GPBPXRFSXUFVNP-HHHXNRCGSA-N 1 1 532.641 5.820 50 0 KKAAMO COc1cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@H+](C)CC4)cc(OC)c1 ZINC000102500008 554942444 /nfs/dbraw/zinc/94/24/44/554942444.db2.gz GPBPXRFSXUFVNP-HHHXNRCGSA-N 1 1 532.641 5.820 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(F)ccc2F)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499813 554942556 /nfs/dbraw/zinc/94/25/56/554942556.db2.gz CUADDBCORCNSAC-VWLOTQADSA-N 1 1 525.024 6.595 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(F)ccc2F)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499813 554942559 /nfs/dbraw/zinc/94/25/59/554942559.db2.gz CUADDBCORCNSAC-VWLOTQADSA-N 1 1 525.024 6.595 50 0 KKAAMO COc1cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)cc(OC)c1 ZINC000102500002 554942586 /nfs/dbraw/zinc/94/25/86/554942586.db2.gz GPBPXRFSXUFVNP-MHZLTWQESA-N 1 1 532.641 5.820 50 0 KKAAMO COc1cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@H+](C)CC4)cc(OC)c1 ZINC000102500002 554942590 /nfs/dbraw/zinc/94/25/90/554942590.db2.gz GPBPXRFSXUFVNP-MHZLTWQESA-N 1 1 532.641 5.820 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cn4ccccc4n3)CC2)cc1 ZINC000102589651 554973764 /nfs/dbraw/zinc/97/37/64/554973764.db2.gz JUZPNJOPXNGIET-UHFFFAOYSA-N 1 1 539.705 5.018 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000102633268 554989772 /nfs/dbraw/zinc/98/97/72/554989772.db2.gz OBRQVTMDICJKFZ-XOFDCVHHSA-N 1 1 574.533 7.506 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1C ZINC000102661968 555000677 /nfs/dbraw/zinc/00/06/77/555000677.db2.gz UBYXKEZTSVAMML-YTTGMZPUSA-N 1 1 599.816 6.124 50 0 KKAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000102669950 555002391 /nfs/dbraw/zinc/00/23/91/555002391.db2.gz CBAVBQDSOXZIBD-IOWSJCHKSA-N 1 1 547.699 5.730 50 0 KKAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2cccc(Oc3ccccc3)c2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000102714121 555017920 /nfs/dbraw/zinc/01/79/20/555017920.db2.gz YEVBJGINDSMMEK-FREGXXQWSA-N 1 1 544.692 5.698 50 0 KKAAMO COC(=O)CC[C@H]1CN(Cc2cccc(Oc3ccccc3)c2)CC[C@H]1[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000102714121 555017924 /nfs/dbraw/zinc/01/79/24/555017924.db2.gz YEVBJGINDSMMEK-FREGXXQWSA-N 1 1 544.692 5.698 50 0 KKAAMO COC(=O)CC[C@H]1CN(Cc2cccc(Oc3ccccc3)c2)CC[C@H]1[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000102714121 555017927 /nfs/dbraw/zinc/01/79/27/555017927.db2.gz YEVBJGINDSMMEK-FREGXXQWSA-N 1 1 544.692 5.698 50 0 KKAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000102731118 555023801 /nfs/dbraw/zinc/02/38/01/555023801.db2.gz WWANSLLHTQGQCP-LITSAYRRSA-N 1 1 546.633 6.735 50 0 KKAAMO CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000102754575 555046326 /nfs/dbraw/zinc/04/63/26/555046326.db2.gz OVLHXURIUKCJGJ-UHFFFAOYSA-N 1 1 576.166 5.555 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000102764378 555054357 /nfs/dbraw/zinc/05/43/57/555054357.db2.gz IRJVPHLHIFVSGK-ANYBSYGZSA-N 1 1 548.152 6.628 50 0 KKAAMO O=C(CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000102765148 555054721 /nfs/dbraw/zinc/05/47/21/555054721.db2.gz SYOPKFUDLHSWBX-RRAHZORUSA-N 1 1 565.114 5.287 50 0 KKAAMO CCOc1ccc(/C=C2/Sc3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3N(C)C2=O)cc1OC ZINC000102779303 555065164 /nfs/dbraw/zinc/06/51/64/555065164.db2.gz JVRADJNFHAFXFN-VUTHCHCSSA-N 1 1 543.689 5.162 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000102784687 555067282 /nfs/dbraw/zinc/06/72/82/555067282.db2.gz TWKWAZIBGSDRHU-OAQYLSRUSA-N 1 1 534.125 6.646 50 0 KKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1)C1CCCCC1 ZINC000102787647 555068020 /nfs/dbraw/zinc/06/80/20/555068020.db2.gz FDCDEYBFAKZGDW-LJISFOLRSA-N 1 1 585.789 7.669 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000102839083 555080479 /nfs/dbraw/zinc/08/04/79/555080479.db2.gz GYRPANCBDYEPOZ-GPNASLBKSA-N 1 1 537.729 5.920 50 0 KKAAMO CCC1=C(C(=O)OC)[C@H](c2ccc(C)cc2C)N2C(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)=CSC2=N1 ZINC000102936712 555164607 /nfs/dbraw/zinc/16/46/07/555164607.db2.gz BQFUKWILHPHDFJ-LJAQVGFWSA-N 1 1 544.721 5.176 50 0 KKAAMO CN1c2ccccc2C(C)(C)/C1=C1\C=NN(c2ccccc2)[P@@]1(=Nc1cccc2ccccc21)N1CC[NH+](C)CC1 ZINC000102942371 555170466 /nfs/dbraw/zinc/17/04/66/555170466.db2.gz RKVZFDKPIUUHSG-FMDSIVABSA-N 1 1 560.686 7.895 50 0 KKAAMO O=C(c1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000102961480 555177140 /nfs/dbraw/zinc/17/71/40/555177140.db2.gz YYKOKTKRIRWYOR-JGCGQSQUSA-N 1 1 560.654 5.140 50 0 KKAAMO O=C(Nc1cc(F)ccc1F)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000103044826 555227729 /nfs/dbraw/zinc/22/77/29/555227729.db2.gz CKINNOHYWRKCOK-UHFFFAOYSA-N 1 1 534.434 6.617 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1 ZINC000103065006 555245675 /nfs/dbraw/zinc/24/56/75/555245675.db2.gz FAZTZRDCVFHKTH-HKBQPEDESA-N 1 1 569.790 6.579 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)[C@@H]5CCC[C@H](OC)C5)CC4)n3c2)c1 ZINC000103096073 555274119 /nfs/dbraw/zinc/27/41/19/555274119.db2.gz UBQUYBXAKSSAJP-PXJZQJOASA-N 1 1 552.719 5.916 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)c1Oc1ccc(F)cc1 ZINC000103098453 555275799 /nfs/dbraw/zinc/27/57/99/555275799.db2.gz LXZYMYRDLIUVKL-XMMPIXPASA-N 1 1 531.584 5.784 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)c1Oc1ccc(F)cc1 ZINC000103098453 555275802 /nfs/dbraw/zinc/27/58/02/555275802.db2.gz LXZYMYRDLIUVKL-XMMPIXPASA-N 1 1 531.584 5.784 50 0 KKAAMO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(OCc2ccccc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000103136482 555306582 /nfs/dbraw/zinc/30/65/82/555306582.db2.gz NNFGBHNGBPFEAS-LDLOPFEMSA-N 1 1 619.809 8.135 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1 ZINC000103176416 555327439 /nfs/dbraw/zinc/32/74/39/555327439.db2.gz OMTUQBZKIPMJMO-SSEXGKCCSA-N 1 1 555.763 6.189 50 0 KKAAMO CCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000103201625 555337529 /nfs/dbraw/zinc/33/75/29/555337529.db2.gz OKDDGHAIQLMGQY-XIFFEERXSA-N 1 1 544.699 6.211 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000103219957 555340708 /nfs/dbraw/zinc/34/07/08/555340708.db2.gz OIYUTYASRCXJPF-MXBOTTGLSA-N 1 1 552.656 7.844 50 0 KKAAMO COc1cccc(C[NH+]2CCN(c3nc(Cc4ccc(C)cc4)nc4c3c(C)nn4-c3ccc(F)cc3)CC2)c1 ZINC000103277990 555349964 /nfs/dbraw/zinc/34/99/64/555349964.db2.gz DDNUYKXNHQMLPB-UHFFFAOYSA-N 1 1 536.655 5.493 50 0 KKAAMO CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103278119 555350340 /nfs/dbraw/zinc/35/03/40/555350340.db2.gz OQLYQLXQSNKJPM-MUUNZHRXSA-N 1 1 529.710 5.188 50 0 KKAAMO Nc1c2c(nn1-c1ccccc1Cl)nc(N1CC[NH+](Cc3ccc(F)cc3)CC1)nc2-c1ccc(F)cc1 ZINC000103334111 555360644 /nfs/dbraw/zinc/36/06/44/555360644.db2.gz QMGYOAYPXFROPD-UHFFFAOYSA-N 1 1 531.998 5.319 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)[C@H](C)C2)cc1 ZINC000103368063 555366206 /nfs/dbraw/zinc/36/62/06/555366206.db2.gz HYQQXDRNDJVNFO-NFQMXDRXSA-N 1 1 556.654 5.788 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)[C@H](C)C2)cc1 ZINC000103368063 555366207 /nfs/dbraw/zinc/36/62/07/555366207.db2.gz HYQQXDRNDJVNFO-NFQMXDRXSA-N 1 1 556.654 5.788 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccncc3)n2-c2cccc(C(F)(F)F)c2)CC1 ZINC000103386055 555374308 /nfs/dbraw/zinc/37/43/08/555374308.db2.gz PNBYRGCWYHXHJP-UHFFFAOYSA-N 1 1 552.626 5.418 50 0 KKAAMO COc1ccc(NC(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5cc(C)ccc5C)cn43)CC2)cc1 ZINC000103398377 555384982 /nfs/dbraw/zinc/38/49/82/555384982.db2.gz FKLODXZDEXNEKG-UHFFFAOYSA-N 1 1 545.687 6.643 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(Cc4ccccc4)n3-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000103405376 555391551 /nfs/dbraw/zinc/39/15/51/555391551.db2.gz ZEZBWEMJUMRXMP-UHFFFAOYSA-N 1 1 565.665 5.947 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000103418753 555398522 /nfs/dbraw/zinc/39/85/22/555398522.db2.gz VDGVQYRVDMGZCS-UHFFFAOYSA-N 1 1 540.683 6.156 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2cccc(Oc3ccccc3)c2)CC1 ZINC000103418975 555399003 /nfs/dbraw/zinc/39/90/03/555399003.db2.gz DFMSXAAXROGKLK-UUWRZZSWSA-N 1 1 557.738 7.476 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4cccc(F)c4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000103421310 555401952 /nfs/dbraw/zinc/40/19/52/555401952.db2.gz RPHKBRJNKBFPMJ-UHFFFAOYSA-N 1 1 540.683 6.156 50 0 KKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435280 555417700 /nfs/dbraw/zinc/41/77/00/555417700.db2.gz GPYPMTXZOSLUGD-WIOPSUGQSA-N 1 1 534.544 6.889 50 0 KKAAMO COc1ccc(-n2cc(C(=O)NCCC[N@@H+](Cc3ccco3)[C@@H]3CCC[C@H](C)[C@@H]3C)c3ccccc3c2=O)cc1 ZINC000103727825 555465514 /nfs/dbraw/zinc/46/55/14/555465514.db2.gz HWHJDXUHNMMLSZ-ISTJGCCRSA-N 1 1 541.692 6.039 50 0 KKAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000248342635 562881651 /nfs/dbraw/zinc/88/16/51/562881651.db2.gz YOTKJXYNGWBHAW-RJNBBFARSA-N 1 1 527.624 5.471 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288032 571361535 /nfs/dbraw/zinc/36/15/35/571361535.db2.gz QYTFWAQAXDFUST-HATVSKDLSA-N 1 1 623.536 7.764 50 0 KKAAMO Cc1cccn2c(=O)c3cc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)n(Cc4ccccc4)c3nc12 ZINC000103910544 571369477 /nfs/dbraw/zinc/36/94/77/571369477.db2.gz UEAXJAWYIIPQDM-UHFFFAOYSA-N 1 1 567.693 5.553 50 0 KKAAMO O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104917612 571387477 /nfs/dbraw/zinc/38/74/77/571387477.db2.gz GEDCOQQPMHRGRC-SHQCIBLASA-N 1 1 511.563 5.067 50 0 KKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984710 571388782 /nfs/dbraw/zinc/38/87/82/571388782.db2.gz OGYHAFLRQKSIBR-BJKOFHAPSA-N 1 1 533.883 6.220 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000105001607 571388951 /nfs/dbraw/zinc/38/89/51/571388951.db2.gz XHJGHSHGCGHWMA-RPBOFIJWSA-N 1 1 529.628 5.266 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000105001607 571388952 /nfs/dbraw/zinc/38/89/52/571388952.db2.gz XHJGHSHGCGHWMA-RPBOFIJWSA-N 1 1 529.628 5.266 50 0 KKAAMO Cc1cccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105019211 571389259 /nfs/dbraw/zinc/38/92/59/571389259.db2.gz MBWCVSFPSHMRRG-LMSSTIIKSA-N 1 1 508.628 7.028 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105042052 571390237 /nfs/dbraw/zinc/39/02/37/571390237.db2.gz OIYUTYASRCXJPF-HVNZXBJASA-N 1 1 552.656 7.844 50 0 KKAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000105046467 571390339 /nfs/dbraw/zinc/39/03/39/571390339.db2.gz GLMDYCBUKYPIDM-FGZHOGPDSA-N 1 1 504.955 6.420 50 0 KKAAMO COc1ccccc1C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](CN(C(=O)c2ccc(F)cc2)C(C)C)C1 ZINC000105042585 571390348 /nfs/dbraw/zinc/39/03/48/571390348.db2.gz WBRNZEMHVSKXTL-SQHAQQRYSA-N 1 1 528.590 6.620 50 0 KKAAMO O=C(c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000105619269 571407942 /nfs/dbraw/zinc/40/79/42/571407942.db2.gz VAJIIVJELGAXGN-UHFFFAOYSA-N 1 1 576.022 6.616 50 0 KKAAMO Clc1ccc2c(c1)C[C@H](S[C@@H](CCN1CC[NH+](Cc3ccccc3)CC1)c1ccccc1)c1ccccc1S2 ZINC000108800588 571426608 /nfs/dbraw/zinc/42/66/08/571426608.db2.gz FRNBINOLPGJIEE-TWJUONSBSA-N 1 1 571.255 8.771 50 0 KKAAMO C[NH+]1CCN(c2nc3c(sc4nnc(-c5ccccc5)c(-c5ccccc5)c43)c(=O)n2-c2ccc(Cl)cc2)CC1 ZINC000136998109 571449944 /nfs/dbraw/zinc/44/99/44/571449944.db2.gz VUXVVVUWFNBYPS-UHFFFAOYSA-N 1 1 565.102 6.130 50 0 KKAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cc(Cl)ccc2OC)cc1OC ZINC000150378712 571466826 /nfs/dbraw/zinc/46/68/26/571466826.db2.gz BFWWFXJMWPCYHH-UHFFFAOYSA-N 1 1 650.197 5.495 50 0 KKAAMO Cc1ccc(C(=O)N2CCN(c3cc(Cl)nc(SCC(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)n3)C[C@@H]2C)cc1 ZINC000150408772 571481212 /nfs/dbraw/zinc/48/12/12/571481212.db2.gz ZXWJEXUOBHODAY-MHZLTWQESA-N 1 1 655.268 5.815 50 0 KKAAMO COc1ccc(C(C2C(=O)NC(=S)[C@H](c3cccc(C)c3)C2=O)C2C(=O)NC(=S)[C@H](c3cccc(C)c3)C2=O)cc1C[NH+]1CCCCC1 ZINC000150651088 571525559 /nfs/dbraw/zinc/52/55/59/571525559.db2.gz AXEJRFSNHYWKGP-LOYHVIPDSA-N 1 1 681.880 7.310 50 0 KKAAMO COc1ccc(C(C2C(=O)NC(=S)[C@H](c3ccc(C)cc3)C2=O)C2C(=O)NC(=S)[C@H](c3ccc(C)cc3)C2=O)cc1C[NH+]1CCCCC1 ZINC000150661356 571527355 /nfs/dbraw/zinc/52/73/55/571527355.db2.gz XBASESAJEWAPAG-LOYHVIPDSA-N 1 1 681.880 7.310 50 0 KKAAMO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677738 571555329 /nfs/dbraw/zinc/55/53/29/571555329.db2.gz FQTVRXMMHLCPII-VPUSJEBWSA-N 1 1 511.563 5.067 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCc4ccccc4)C[C@@H]23)cc1 ZINC000169678767 571555876 /nfs/dbraw/zinc/55/58/76/571555876.db2.gz SNBZYKGSARCDRH-VPUSJEBWSA-N 1 1 509.572 5.258 50 0 KKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679824 571556537 /nfs/dbraw/zinc/55/65/37/571556537.db2.gz WAVLQOGKLZLFIK-NAKRPHOHSA-N 1 1 542.617 6.867 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@@H](C)C2)cc1 ZINC000169680891 571557212 /nfs/dbraw/zinc/55/72/12/571557212.db2.gz ZJPJCVLNSHGHBF-UZTOHYMASA-N 1 1 542.532 5.684 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@@H](C)C2)cc1 ZINC000169680891 571557214 /nfs/dbraw/zinc/55/72/14/571557214.db2.gz ZJPJCVLNSHGHBF-UZTOHYMASA-N 1 1 542.532 5.684 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)[C@@H](C)C2)cc1 ZINC000169680870 571557296 /nfs/dbraw/zinc/55/72/96/571557296.db2.gz HYQQXDRNDJVNFO-CCLHPLFOSA-N 1 1 556.654 5.788 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)[C@@H](C)C2)cc1 ZINC000169680870 571557298 /nfs/dbraw/zinc/55/72/98/571557298.db2.gz HYQQXDRNDJVNFO-CCLHPLFOSA-N 1 1 556.654 5.788 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3Cl)[C@@H](C)C2)cc1 ZINC000169680886 571557318 /nfs/dbraw/zinc/55/73/18/571557318.db2.gz MOXXCNGBANLRTH-DCFHFQCYSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3Cl)[C@@H](C)C2)cc1 ZINC000169680886 571557319 /nfs/dbraw/zinc/55/73/19/571557319.db2.gz MOXXCNGBANLRTH-DCFHFQCYSA-N 1 1 508.087 5.031 50 0 KKAAMO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681829 571557750 /nfs/dbraw/zinc/55/77/50/571557750.db2.gz XGMJJTFICUCZKJ-BDYUSTAISA-N 1 1 511.563 5.067 50 0 KKAAMO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1N(Cc1cccc(Cl)c1)C2=O ZINC000169699078 571558729 /nfs/dbraw/zinc/55/87/29/571558729.db2.gz IFUCFNDIDHCYIO-CZMLNRTDSA-N 1 1 525.023 6.450 50 0 KKAAMO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1N(Cc1cccc(Cl)c1)C2=O ZINC000169699078 571558730 /nfs/dbraw/zinc/55/87/30/571558730.db2.gz IFUCFNDIDHCYIO-CZMLNRTDSA-N 1 1 525.023 6.450 50 0 KKAAMO COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@@H]45)cs3)n2)c(OC)c1 ZINC000226816794 572142012 /nfs/dbraw/zinc/14/20/12/572142012.db2.gz RXGUCKFJONMYEH-KKSFZXQISA-N 1 1 549.619 5.026 50 0 KKAAMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000229823500 572160032 /nfs/dbraw/zinc/16/00/32/572160032.db2.gz IOJSFOKYYCHIOW-XYZQIWJFSA-N 1 1 656.864 7.531 50 0 biogenic KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000229855498 572160861 /nfs/dbraw/zinc/16/08/61/572160861.db2.gz ZYUXEJIHMGZJNZ-YRSGNFACSA-N 1 1 534.015 5.508 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000229855498 572160864 /nfs/dbraw/zinc/16/08/64/572160864.db2.gz ZYUXEJIHMGZJNZ-YRSGNFACSA-N 1 1 534.015 5.508 50 0 KKAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)C1 ZINC000229863577 572162519 /nfs/dbraw/zinc/16/25/19/572162519.db2.gz CMCLTKJWFAVHRT-GRMCXCIISA-N 1 1 554.518 6.392 50 0 KKAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)C1 ZINC000229863577 572162524 /nfs/dbraw/zinc/16/25/24/572162524.db2.gz CMCLTKJWFAVHRT-GRMCXCIISA-N 1 1 554.518 6.392 50 0 KKAAMO Cc1cccc2c1NC(=O)[C@@]21C(C(=O)c2ccc(Cl)cc2Cl)[C@]2(C(=O)Nc3ccccc32)[C@@H]2CCCN21 ZINC000230020539 572179214 /nfs/dbraw/zinc/17/92/14/572179214.db2.gz JRJCDJXJYQTVKJ-GXQHJZMOSA-N 1 1 532.427 5.316 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](Cc3ccccc3)C[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(OC)cc2)cc1 ZINC000230042046 572180993 /nfs/dbraw/zinc/18/09/93/572180993.db2.gz ZGMYKCLMCYAYHD-IWLRSKOSSA-N 1 1 515.657 6.837 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2cc(C)ccc2C)C3=O)cc1 ZINC000230082808 572182631 /nfs/dbraw/zinc/18/26/31/572182631.db2.gz AZCDAKJQRRXXQV-KZFWPOIGSA-N 1 1 534.656 6.266 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2cc(C)ccc2C)C3=O)cc1 ZINC000230082808 572182633 /nfs/dbraw/zinc/18/26/33/572182633.db2.gz AZCDAKJQRRXXQV-KZFWPOIGSA-N 1 1 534.656 6.266 50 0 KKAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)C[C@H]2C)c1 ZINC000245228531 572205252 /nfs/dbraw/zinc/20/52/52/572205252.db2.gz JGNGLITYQVEAHL-QHZFHHJPSA-N 1 1 570.803 5.997 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000245279150 572224215 /nfs/dbraw/zinc/22/42/15/572224215.db2.gz FJVGAVQSDAUGSC-UKILVPOCSA-N 1 1 511.638 5.176 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000245329053 572235229 /nfs/dbraw/zinc/23/52/29/572235229.db2.gz XJLVLMXNMVHSMV-LWSSLDFYSA-N 1 1 582.376 5.622 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000245329053 572235230 /nfs/dbraw/zinc/23/52/30/572235230.db2.gz XJLVLMXNMVHSMV-LWSSLDFYSA-N 1 1 582.376 5.622 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000245329245 572235653 /nfs/dbraw/zinc/23/56/53/572235653.db2.gz RWRGNGLGMPUZNP-XNMGPUDCSA-N 1 1 507.675 5.242 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000245329245 572235655 /nfs/dbraw/zinc/23/56/55/572235655.db2.gz RWRGNGLGMPUZNP-XNMGPUDCSA-N 1 1 507.675 5.242 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000245343420 572238444 /nfs/dbraw/zinc/23/84/44/572238444.db2.gz OIYUTYASRCXJPF-SUYBVONHSA-N 1 1 552.656 7.844 50 0 KKAAMO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247472664 572242398 /nfs/dbraw/zinc/24/23/98/572242398.db2.gz FXVOOYNTXBHWEX-UHFFFAOYSA-N 1 1 521.492 5.962 50 0 KKAAMO O=C(NCc1ccccc1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247524198 572242850 /nfs/dbraw/zinc/24/28/50/572242850.db2.gz YTLHLQORJMVPHZ-JOCHJYFZSA-N 1 1 507.465 5.920 50 0 KKAAMO O=C(NCCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247513856 572242887 /nfs/dbraw/zinc/24/28/87/572242887.db2.gz UWDNTDRSSSSAHO-NRFANRHFSA-N 1 1 551.916 6.012 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247507516 572242931 /nfs/dbraw/zinc/24/29/31/572242931.db2.gz RYSPZJPVACBZGF-FQEVSTJZSA-N 1 1 582.340 6.079 50 0 KKAAMO O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247521705 572242985 /nfs/dbraw/zinc/24/29/85/572242985.db2.gz XTUSRJUTTTZKFL-KRWDZBQOSA-N 1 1 541.852 6.431 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247720397 572243833 /nfs/dbraw/zinc/24/38/33/572243833.db2.gz AABSQICADLQZJO-UHFFFAOYSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247736910 572244109 /nfs/dbraw/zinc/24/41/09/572244109.db2.gz LJPMGWFWZOKQBI-GOSISDBHSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247740878 572244120 /nfs/dbraw/zinc/24/41/20/572244120.db2.gz NTAHKXJNUHUBDJ-RUZDIDTESA-N 1 1 534.635 6.594 50 0 KKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247736034 572244134 /nfs/dbraw/zinc/24/41/34/572244134.db2.gz KWZDVWCEMZJFDE-VWLOTQADSA-N 1 1 595.541 7.218 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247741023 572244218 /nfs/dbraw/zinc/24/42/18/572244218.db2.gz NYOSVKCAOFCZRC-GOSISDBHSA-N 1 1 557.414 6.658 50 0 KKAAMO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247742896 572244273 /nfs/dbraw/zinc/24/42/73/572244273.db2.gz OPYPFEKLSGKYMJ-JOCHJYFZSA-N 1 1 539.477 6.792 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247745922 572244370 /nfs/dbraw/zinc/24/43/70/572244370.db2.gz QSCFUTVXWVJITC-UHFFFAOYSA-N 1 1 568.313 6.401 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247757102 572244778 /nfs/dbraw/zinc/24/47/78/572244778.db2.gz XXFCDDUBATWAEP-KRWDZBQOSA-N 1 1 525.397 5.917 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247757102 572244780 /nfs/dbraw/zinc/24/47/80/572244780.db2.gz XXFCDDUBATWAEP-KRWDZBQOSA-N 1 1 525.397 5.917 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000247800131 572245075 /nfs/dbraw/zinc/24/50/75/572245075.db2.gz FKAMQLIXAPDCRK-GOUQPXDXSA-N 1 1 562.851 5.117 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000247800131 572245077 /nfs/dbraw/zinc/24/50/77/572245077.db2.gz FKAMQLIXAPDCRK-GOUQPXDXSA-N 1 1 562.851 5.117 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000247808493 572245251 /nfs/dbraw/zinc/24/52/51/572245251.db2.gz CTQUWRBGWGZQFW-UHFFFAOYSA-N 1 1 577.611 7.494 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000247807297 572245356 /nfs/dbraw/zinc/24/53/56/572245356.db2.gz BZBWOOXORIDHQA-UHFFFAOYSA-N 1 1 547.187 7.444 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247809084 572245392 /nfs/dbraw/zinc/24/53/92/572245392.db2.gz DEFNSRCRXWDUCO-UHFFFAOYSA-N 1 1 626.521 6.368 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247808925 572245415 /nfs/dbraw/zinc/24/54/15/572245415.db2.gz CZGIPKYYFPRIMZ-UHFFFAOYSA-N 1 1 565.615 5.744 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247808006 572245425 /nfs/dbraw/zinc/24/54/25/572245425.db2.gz CKUYAYBACIZZMA-DEOSSOPVSA-N 1 1 562.545 5.952 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247847172 572245983 /nfs/dbraw/zinc/24/59/83/572245983.db2.gz HJJYUYYCUSCDJU-UHFFFAOYSA-N 1 1 626.521 6.368 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247846343 572246045 /nfs/dbraw/zinc/24/60/45/572246045.db2.gz HGLZNIXDIKSBFG-PMERELPUSA-N 1 1 648.649 6.934 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247843928 572246120 /nfs/dbraw/zinc/24/61/20/572246120.db2.gz GGSRWZRZRFUYOE-QFIPXVFZSA-N 1 1 576.514 5.488 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247849125 572246271 /nfs/dbraw/zinc/24/62/71/572246271.db2.gz HZELURLJXRHJRR-JOCHJYFZSA-N 1 1 565.615 5.744 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000247851108 572246281 /nfs/dbraw/zinc/24/62/81/572246281.db2.gz ISEIRTRRRCYMTK-UHFFFAOYSA-N 1 1 558.524 5.349 50 0 KKAAMO Cc1cccc(C)c1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247855518 572246601 /nfs/dbraw/zinc/24/66/01/572246601.db2.gz COWXHSMJWFTCHC-NRFANRHFSA-N 1 1 517.471 6.256 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247862339 572246773 /nfs/dbraw/zinc/24/67/73/572246773.db2.gz NADPNDWLHOFCLR-OAQYLSRUSA-N 1 1 533.598 5.004 50 0 KKAAMO Cc1ccc(C)c(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)c1 ZINC000247864305 572246873 /nfs/dbraw/zinc/24/68/73/572246873.db2.gz HSMSTVUPDQGJRB-UHFFFAOYSA-N 1 1 525.672 5.342 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247871758 572247245 /nfs/dbraw/zinc/24/72/45/572247245.db2.gz QYVDXZJAQSKQQO-UHFFFAOYSA-N 1 1 565.615 5.744 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccc(Br)cc4)CC3)nc3ccccc32)cc1 ZINC000247870293 572247258 /nfs/dbraw/zinc/24/72/58/572247258.db2.gz CUCZJYNACMKSSO-UHFFFAOYSA-N 1 1 547.497 5.384 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247867658 572247291 /nfs/dbraw/zinc/24/72/91/572247291.db2.gz PFIDVHUPIFQJFH-QFIPXVFZSA-N 1 1 626.521 6.368 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2)CC1 ZINC000247874651 572247587 /nfs/dbraw/zinc/24/75/87/572247587.db2.gz SOKPWDCDBFMGSM-QHCPKHFHSA-N 1 1 558.524 5.349 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247879974 572247899 /nfs/dbraw/zinc/24/78/99/572247899.db2.gz VIBOHMWTFSFTAP-NRFANRHFSA-N 1 1 594.504 5.627 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247877834 572247915 /nfs/dbraw/zinc/24/79/15/572247915.db2.gz UNBFEPGUCWDJKK-OAQYLSRUSA-N 1 1 610.959 6.141 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(C(=O)c5ccc(Cl)c(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247889217 572248276 /nfs/dbraw/zinc/24/82/76/572248276.db2.gz MHYAEJCHFRPABK-RUZDIDTESA-N 1 1 620.581 5.597 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)NCc4ccc(Cl)cc4)C3)nc3ccccc32)cc1 ZINC000247921606 572249571 /nfs/dbraw/zinc/24/95/71/572249571.db2.gz XWVQYWPILDAPAJ-QHCPKHFHSA-N 1 1 503.046 5.275 50 0 KKAAMO CCCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)C(C)C ZINC000247983620 572251535 /nfs/dbraw/zinc/25/15/35/572251535.db2.gz IAVWZVKSBABHDI-OAQYLSRUSA-N 1 1 511.508 6.037 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)CC1 ZINC000247987256 572251682 /nfs/dbraw/zinc/25/16/82/572251682.db2.gz IZNPKDXCEWRFHF-UHFFFAOYSA-N 1 1 513.608 5.197 50 0 KKAAMO CCCCN(C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)C(C)C ZINC000248031757 572252835 /nfs/dbraw/zinc/25/28/35/572252835.db2.gz XZCXQHGUEFDZTP-UHFFFAOYSA-N 1 1 511.508 6.037 50 0 KKAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1C ZINC000248059703 572252969 /nfs/dbraw/zinc/25/29/69/572252969.db2.gz CUWXCWCBURIDAX-OAQYLSRUSA-N 1 1 517.471 6.256 50 0 KKAAMO Cc1ccc(C(=O)N(C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000248074479 572253111 /nfs/dbraw/zinc/25/31/11/572253111.db2.gz AVKSALOHMDYIGJ-LSYYVWMOSA-N 1 1 512.591 6.919 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000248089389 572253382 /nfs/dbraw/zinc/25/33/82/572253382.db2.gz LYTUNMVFZHHQPS-FQRUVTKNSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248100850 572253659 /nfs/dbraw/zinc/25/36/59/572253659.db2.gz PBHKFLMPTSNKMG-BHBYDHKZSA-N 1 1 534.666 7.705 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000248107894 572253727 /nfs/dbraw/zinc/25/37/27/572253727.db2.gz RFSYZUIEKFFPTC-NIYFSFCBSA-N 1 1 542.532 5.684 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000248106535 572253770 /nfs/dbraw/zinc/25/37/70/572253770.db2.gz LSQMQGXTVHSESX-XMMPIXPASA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000248116198 572253949 /nfs/dbraw/zinc/25/39/49/572253949.db2.gz VGZUEQGSTMMCAP-AYWVHJORSA-N 1 1 543.777 6.065 50 0 KKAAMO COc1cccc(C(O)=C2[C@H](C(=O)c3ccc(OC)cc3OC)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248116577 572253966 /nfs/dbraw/zinc/25/39/66/572253966.db2.gz BJPJUHPTPGEYRF-MXMCVKMKSA-N 1 1 586.644 5.694 50 0 KKAAMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248146210 572255412 /nfs/dbraw/zinc/25/54/12/572255412.db2.gz WWDOOYYUYVLQTQ-IBGZPJMESA-N 1 1 519.443 5.647 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1C ZINC000248156931 572255945 /nfs/dbraw/zinc/25/59/45/572255945.db2.gz MGTGKZIWABVXDJ-ROXDYWFKSA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1C ZINC000248156931 572255946 /nfs/dbraw/zinc/25/59/46/572255946.db2.gz MGTGKZIWABVXDJ-ROXDYWFKSA-N 1 1 531.534 5.476 50 0 KKAAMO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248156960 572255999 /nfs/dbraw/zinc/25/59/99/572255999.db2.gz ZUIIYMKAKGSURQ-HSZRJFAPSA-N 1 1 588.550 5.357 50 0 KKAAMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1C ZINC000248174007 572256248 /nfs/dbraw/zinc/25/62/48/572256248.db2.gz XYKLEBQEQQPAMU-NRFANRHFSA-N 1 1 517.471 6.256 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1C ZINC000248167441 572256289 /nfs/dbraw/zinc/25/62/89/572256289.db2.gz SMZIVQGSJKQGLY-HHHXNRCGSA-N 1 1 556.154 5.916 50 0 KKAAMO CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000248265342 572257454 /nfs/dbraw/zinc/25/74/54/572257454.db2.gz OBBAHLDVTGAGMQ-WNNVWSMLSA-N 1 1 532.684 6.599 50 0 KKAAMO CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000248265342 572257455 /nfs/dbraw/zinc/25/74/55/572257455.db2.gz OBBAHLDVTGAGMQ-WNNVWSMLSA-N 1 1 532.684 6.599 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000251921268 572259548 /nfs/dbraw/zinc/25/95/48/572259548.db2.gz ASKZBLJJRVZGOF-MHZLTWQESA-N 1 1 556.154 5.861 50 0 KKAAMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000252004461 572259670 /nfs/dbraw/zinc/25/96/70/572259670.db2.gz NXRGIXMZPUYBHY-OAQYLSRUSA-N 1 1 517.471 6.201 50 0 KKAAMO CCc1cccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)c1 ZINC000251990213 572259693 /nfs/dbraw/zinc/25/96/93/572259693.db2.gz IUTRKFNVBGZPBY-UHFFFAOYSA-N 1 1 517.471 6.201 50 0 KKAAMO CCCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000252310932 572259987 /nfs/dbraw/zinc/25/99/87/572259987.db2.gz RPGAKFDATPNBEX-JOCHJYFZSA-N 1 1 531.498 6.591 50 0 KKAAMO CCCc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)cc1 ZINC000252253152 572260010 /nfs/dbraw/zinc/26/00/10/572260010.db2.gz MIPYIZIXGATIAO-XMMPIXPASA-N 1 1 501.074 6.541 50 0 KKAAMO CCCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)cc1 ZINC000252253152 572260011 /nfs/dbraw/zinc/26/00/11/572260011.db2.gz MIPYIZIXGATIAO-XMMPIXPASA-N 1 1 501.074 6.541 50 0 KKAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C)Cc1ccccc1 ZINC000252586665 572265592 /nfs/dbraw/zinc/26/55/92/572265592.db2.gz RQLLBFHXZIPOAD-YEUQMLTNSA-N 1 1 633.233 5.282 50 0 KKAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586873 572265732 /nfs/dbraw/zinc/26/57/32/572265732.db2.gz UDUNPWMGWDRQOU-TUMUZXABSA-N 1 1 619.206 5.099 50 0 KKAAMO O[C@@H](CN1c2ccccc2[C@@H](c2ccccc2)[C@@H]1c1ccccc1)CN1CC[NH+](C[C@H](O)CN2c3ccccc3[C@H](c3ccccc3)[C@@H]2c2ccccc2)CC1 ZINC000252601713 572267380 /nfs/dbraw/zinc/26/73/80/572267380.db2.gz FBTAFNUXVYMJFU-CXNWHXJNSA-N 1 1 740.992 8.113 50 0 KKAAMO O[C@H](CN1c2ccccc2[C@H](c2ccccc2)[C@@H]1c1ccccc1)CN1CC[NH+](C[C@@H](O)CN2c3ccccc3[C@@H](c3ccccc3)[C@@H]2c2ccccc2)CC1 ZINC000252601713 572267381 /nfs/dbraw/zinc/26/73/81/572267381.db2.gz FBTAFNUXVYMJFU-CXNWHXJNSA-N 1 1 740.992 8.113 50 0 KKAAMO CCC[N@H+]1C/C(=C\c2ccc(Cl)cc2Cl)C2=NN(/C(C)=C/C(=O)OCC)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000252622249 572269714 /nfs/dbraw/zinc/26/97/14/572269714.db2.gz NRGWOWIAOKFREM-ARKVLLOYSA-N 1 1 581.371 7.905 50 0 KKAAMO CCC[N@@H+]1C/C(=C\c2ccc(Cl)cc2Cl)C2=NN(/C(C)=C/C(=O)OCC)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000252622249 572269716 /nfs/dbraw/zinc/26/97/16/572269716.db2.gz NRGWOWIAOKFREM-ARKVLLOYSA-N 1 1 581.371 7.905 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000253388979 572283111 /nfs/dbraw/zinc/28/31/11/572283111.db2.gz MFGSFJQYWNQDQK-UZTOHYMASA-N 1 1 574.644 6.008 50 0 KKAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000253388972 572283144 /nfs/dbraw/zinc/28/31/44/572283144.db2.gz JPOOTSDVFNVPJE-KPURRNSFSA-N 1 1 501.696 5.021 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@]14C)[N@H+](C)CC3)OCO2 ZINC000253501755 572294991 /nfs/dbraw/zinc/29/49/91/572294991.db2.gz GYQGIZSWANUMBG-CRLXKQSSSA-N 1 1 577.762 6.423 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@H](OC(C)=O)CC[C@]6(C)[C@H]5CC[C@]14C)[N@@H+](C)CC3)OCO2 ZINC000253501755 572294993 /nfs/dbraw/zinc/29/49/93/572294993.db2.gz GYQGIZSWANUMBG-CRLXKQSSSA-N 1 1 577.762 6.423 50 0 KKAAMO CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[N@@H+]5C[C@H](C)C[C@H](C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000253504425 572296621 /nfs/dbraw/zinc/29/66/21/572296621.db2.gz CPJHDWYZEVQMHG-ZXAUVBRMSA-N 1 1 553.784 6.286 50 0 KKAAMO CCCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000253607357 572300942 /nfs/dbraw/zinc/30/09/42/572300942.db2.gz OYMBXIUPDKGUPR-JOCHJYFZSA-N 1 1 531.498 6.591 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1c(C)c2cc3c(oc(C)c3-c3ccccc3)c(C)c2oc1=O ZINC000409413924 1069810677 /nfs/dbraw/zinc/81/06/77/1069810677.db2.gz LNMDUBOCPJNEFA-JTSJOTPCSA-N 1 1 584.757 6.804 50 0 KKAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCc1ccc(C(F)(F)F)cc1 ZINC000101889995 1069822596 /nfs/dbraw/zinc/82/25/96/1069822596.db2.gz JUKWQPQHTRJFFY-ABYGYWHVSA-N 1 1 583.674 5.349 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000524731152 1069832492 /nfs/dbraw/zinc/83/24/92/1069832492.db2.gz LLTGVRIILDILAJ-LBNVMWSVSA-N 1 1 532.681 5.141 50 0 KKAAMO O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000102112799 1069843226 /nfs/dbraw/zinc/84/32/26/1069843226.db2.gz LVKQRJHUSOIMLF-XMMPIXPASA-N 1 1 555.616 6.098 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583652886 1069851934 /nfs/dbraw/zinc/85/19/34/1069851934.db2.gz LLTGVRIILDILAJ-LSYYVWMOSA-N 1 1 532.681 5.141 50 0 KKAAMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000102678498 1069862105 /nfs/dbraw/zinc/86/21/05/1069862105.db2.gz OOIDGVKADDJTRP-QHCPKHFHSA-N 1 1 575.738 7.258 50 0 KKAAMO O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000102575550 1069859827 /nfs/dbraw/zinc/85/98/27/1069859827.db2.gz NXZLXQQJKQPQCQ-HHHXNRCGSA-N 1 1 553.682 5.265 50 0 KKAAMO CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103060506 1070964981 /nfs/dbraw/zinc/96/49/81/1070964981.db2.gz ONYGOYDHSJNGAY-HATVSKDLSA-N 1 1 572.730 7.463 50 0 KKAAMO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(OCc2ccccc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150516349 1070975610 /nfs/dbraw/zinc/97/56/10/1070975610.db2.gz OHRFGRKBFAFQDK-SJARJILFSA-N 1 1 695.907 9.724 50 0 KKAAMO Cc1ccccc1N=[P@@]1(N2CC[NH+](C)CC2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 ZINC000097994678 1071163426 /nfs/dbraw/zinc/16/34/26/1071163426.db2.gz JAIKEZRIVUZTRK-MEFYDPBGSA-N 1 1 524.653 7.050 50 0 KKAAMO Cc1csc(CN2C(=O)c3cccc(N4CC[NH+](Cc5cccc(Oc6ccccc6)c5)CC4)c3C2=O)n1 ZINC000059322765 1071215830 /nfs/dbraw/zinc/21/58/30/1071215830.db2.gz USBZKJYYMDVFCZ-UHFFFAOYSA-N 1 1 524.646 5.362 50 0 KKAAMO C[N@@H+](Cc1ccsc1)Cc1cccc(OC2CCN(S(=O)(=O)c3cccc4cccnc43)CC2)c1 ZINC000011968563 1071233803 /nfs/dbraw/zinc/23/38/03/1071233803.db2.gz MUTXZKNXGJFLSM-UHFFFAOYSA-N 1 1 507.681 5.160 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2cncs2)c1)Cc1cccc2cccnc21 ZINC000012219024 1071239470 /nfs/dbraw/zinc/23/94/70/1071239470.db2.gz IACHRYYGUZIACD-RUZDIDTESA-N 1 1 500.668 5.787 50 0 KKAAMO C[N@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)CN2CCCCC2)c1)Cc1cccc2cccnc21 ZINC000012159389 1071237556 /nfs/dbraw/zinc/23/75/56/1071237556.db2.gz WOUUPFRMPVKLJF-GDLZYMKVSA-N 1 1 514.714 5.503 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)CN2CCCCC2)c1)Cc1cccc2cccnc21 ZINC000012159389 1071237563 /nfs/dbraw/zinc/23/75/63/1071237563.db2.gz WOUUPFRMPVKLJF-GDLZYMKVSA-N 1 1 514.714 5.503 50 0 KKAAMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc(Oc4cccnc4)cc3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257111 1071277887 /nfs/dbraw/zinc/27/78/87/1071277887.db2.gz RGZGHJLHOCJRGJ-LJQANCHMSA-N 1 1 596.075 5.305 50 0 KKAAMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc(Oc4cccnc4)cc3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257111 1071277894 /nfs/dbraw/zinc/27/78/94/1071277894.db2.gz RGZGHJLHOCJRGJ-LJQANCHMSA-N 1 1 596.075 5.305 50 0 KKAAMO Cc1cc(C)c(S(=O)(=O)N2CCC([N@H+]3CCN(c4ncc(C(F)(F)F)cc4Cl)[C@@H](C)C3)CC2)c(C)c1 ZINC000618256207 1071277988 /nfs/dbraw/zinc/27/79/88/1071277988.db2.gz FYWLUARGTVXOKT-IBGZPJMESA-N 1 1 545.071 5.043 50 0 KKAAMO Cc1cc(C)c(S(=O)(=O)N2CCC([N@@H+]3CCN(c4ncc(C(F)(F)F)cc4Cl)[C@@H](C)C3)CC2)c(C)c1 ZINC000618256207 1071277996 /nfs/dbraw/zinc/27/79/96/1071277996.db2.gz FYWLUARGTVXOKT-IBGZPJMESA-N 1 1 545.071 5.043 50 0 KKAAMO Cc1ccccc1N=[P@]1(N2CC[NH+](C)CC2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 ZINC000097994677 1072841805 /nfs/dbraw/zinc/84/18/05/1072841805.db2.gz JAIKEZRIVUZTRK-XNMWVWTOSA-N 1 1 524.653 7.050 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)cc1Cl ZINC000254573250 1072864837 /nfs/dbraw/zinc/86/48/37/1072864837.db2.gz NQRDGCAYVAAGBW-UHFFFAOYSA-N 1 1 652.607 5.038 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)cc1Cl ZINC000254645521 1072869201 /nfs/dbraw/zinc/86/92/01/1072869201.db2.gz NYWYCMWIRUMSGT-UHFFFAOYSA-N 1 1 686.064 6.296 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000000651438 193869395 /nfs/dbraw/zinc/86/93/95/193869395.db2.gz QIYUTQGYMREQLX-IZZNHLLZSA-N 1 1 502.958 5.170 50 0 KKAAMO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001213975 551626055 /nfs/dbraw/zinc/62/60/55/551626055.db2.gz XMLMKEOSWJGRHW-RCZVLFRGSA-N 1 1 551.638 6.152 50 0 KKAAMO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001213970 551626064 /nfs/dbraw/zinc/62/60/64/551626064.db2.gz XMLMKEOSWJGRHW-WIOPSUGQSA-N 1 1 551.638 6.152 50 0 KKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000002257583 551803189 /nfs/dbraw/zinc/80/31/89/551803189.db2.gz BWEGCPNWTAVCJH-RPWUZVMVSA-N 1 1 505.803 6.215 50 0 KKAAMO FC(F)(F)c1cc(NC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(C(F)(F)F)c1 ZINC000002380984 552107584 /nfs/dbraw/zinc/10/75/84/552107584.db2.gz FPUWRZVXZZTLJU-UHFFFAOYSA-N 1 1 523.546 6.828 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000002715275 552161448 /nfs/dbraw/zinc/16/14/48/552161448.db2.gz KUNDAKIVGPTPQT-UHFFFAOYSA-N 1 1 503.650 6.430 50 0 KKAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000002916821 552217759 /nfs/dbraw/zinc/21/77/59/552217759.db2.gz ZSLGNXDKVPFTKK-BJKOFHAPSA-N 1 1 505.361 5.584 50 0 KKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(c2ccccc2)c2ccccc2)cc1Cl ZINC000002974958 552246713 /nfs/dbraw/zinc/24/67/13/552246713.db2.gz KGOCRNPERQEHHA-UHFFFAOYSA-N 1 1 529.087 8.683 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000003007225 552255240 /nfs/dbraw/zinc/25/52/40/552255240.db2.gz ZLKVPPODKVPZLN-UHFFFAOYSA-N 1 1 580.801 6.218 50 0 KKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2 ZINC000003054276 552279566 /nfs/dbraw/zinc/27/95/66/552279566.db2.gz RDZHWCRXAAHKQC-OAQYLSRUSA-N 1 1 506.071 5.866 50 0 KKAAMO C[N@@H+](CCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)CCc1ccccc1 ZINC000003054764 552279968 /nfs/dbraw/zinc/27/99/68/552279968.db2.gz OVABVIKSAZHEDX-LGUFXXKBSA-N 1 1 550.522 5.220 50 0 KKAAMO Cc1ccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)C2=O)cc1 ZINC000003057910 552281351 /nfs/dbraw/zinc/28/13/51/552281351.db2.gz FZJZMBSHVCUZGU-GZZLJNBRSA-N 1 1 559.735 6.633 50 0 KKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000003064293 552284376 /nfs/dbraw/zinc/28/43/76/552284376.db2.gz USZLHPFXKRZXHI-STKMKYKTSA-N 1 1 577.725 6.684 50 0 KKAAMO COc1ccc(C[C@@H]2c3c(cc(OC)c(OCc4ccccc4)c3OC)CC[N@@H+]2C)cc1OCc1ccccc1 ZINC000003124412 552291306 /nfs/dbraw/zinc/29/13/06/552291306.db2.gz CURDJXSTACNZNJ-MUUNZHRXSA-N 1 1 539.672 6.642 50 0 KKAAMO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+][C@@H](Cc2ccccc2)c2nc(-c3ccccc3)no2)cc1 ZINC000003384378 552378743 /nfs/dbraw/zinc/37/87/43/552378743.db2.gz UCDNHFUYZOANNS-SMCANUKXSA-N 1 1 533.672 6.376 50 0 KKAAMO Cc1c([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c2ccccc2n1Cc1ccccc1 ZINC000004125166 552442170 /nfs/dbraw/zinc/44/21/70/552442170.db2.gz LFFPYDNNFQYTSA-SSEXGKCCSA-N 1 1 518.686 7.047 50 0 KKAAMO Cc1c([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c2ccccc2n1Cc1ccccc1 ZINC000004125166 552442171 /nfs/dbraw/zinc/44/21/71/552442171.db2.gz LFFPYDNNFQYTSA-SSEXGKCCSA-N 1 1 518.686 7.047 50 0 KKAAMO Cc1nn2c(nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)c1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000004181695 552446697 /nfs/dbraw/zinc/44/66/97/552446697.db2.gz PNOPUCHNGQAJCW-UHFFFAOYSA-N 1 1 590.049 6.924 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000004480517 552461550 /nfs/dbraw/zinc/46/15/50/552461550.db2.gz YNAUDRMREKVKAC-GHMVGRGESA-N 1 1 562.483 7.469 50 0 KKAAMO COc1ccc(C2=CC(=O)N(CCC[N@@H+](C)CCc3ccc(OC)c(OC)c3)c3ccccc3S2)cc1 ZINC000004486598 552461870 /nfs/dbraw/zinc/46/18/70/552461870.db2.gz UEGQSVRDPAIVDL-UHFFFAOYSA-N 1 1 518.679 5.757 50 0 KKAAMO O=C(CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000006013479 552518638 /nfs/dbraw/zinc/51/86/38/552518638.db2.gz PLYRBKUQOFHYMM-UHFFFAOYSA-N 1 1 574.146 5.465 50 0 KKAAMO Cc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(C[NH+]4CCC(C)CC4)c3oc2C(F)(F)F)cc1C ZINC000006166865 552557252 /nfs/dbraw/zinc/55/72/52/552557252.db2.gz BSLNCWCKDXSIDB-UHFFFAOYSA-N 1 1 621.696 8.970 50 0 KKAAMO O=C(c1cnn2c1nc(-c1ccc(Br)cc1)cc2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008397243 552996455 /nfs/dbraw/zinc/99/64/55/552996455.db2.gz BMXTXWIAZYUIGB-UHFFFAOYSA-N 1 1 620.473 6.725 50 0 KKAAMO O=C(C[NH2+]Cc1ccco1)Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCCCC2 ZINC000008430048 553020717 /nfs/dbraw/zinc/02/07/17/553020717.db2.gz UQKUPXKVLPUNRC-UHFFFAOYSA-N 1 1 502.434 5.353 50 0 KKAAMO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008444496 553050613 /nfs/dbraw/zinc/05/06/13/553050613.db2.gz OOWMZIXBQOPRRY-AHKZPQOWSA-N 1 1 624.505 6.853 50 0 KKAAMO CCN(CC)CC(=O)Nc1ccc2c(c1)C(c1ccccc1)=Nc1ccc(NC(=O)C[NH+](CC)CC)cc1C(c1ccccc1)=N2 ZINC000008445569 553054487 /nfs/dbraw/zinc/05/44/87/553054487.db2.gz LAUZCPKQBUPOML-UHFFFAOYSA-N 1 1 614.794 6.899 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1cc(Nc2cccc(SC)c2)nc2ccccc21)Cc1ccccc1 ZINC000008595452 553088969 /nfs/dbraw/zinc/08/89/69/553088969.db2.gz SQAZFXFEECECMQ-UHFFFAOYSA-N 1 1 512.723 7.123 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000008597598 553093532 /nfs/dbraw/zinc/09/35/32/553093532.db2.gz RDJMEUYFOHYYET-RUZDIDTESA-N 1 1 580.150 5.718 50 0 KKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000008597817 553094009 /nfs/dbraw/zinc/09/40/09/553094009.db2.gz RMTPABMEPSZLAP-JOCHJYFZSA-N 1 1 527.496 5.826 50 0 KKAAMO COc1cc(OC)c(NC(=O)CCc2nc(C3=CC[N@H+](Cc4cccc(Cl)c4)CC3)no2)cc1Cl ZINC000008599098 553095085 /nfs/dbraw/zinc/09/50/85/553095085.db2.gz NRMFTBRFYIPFBB-UHFFFAOYSA-N 1 1 517.413 5.254 50 0 KKAAMO COc1cc(OC)c(NC(=O)CCc2nc(C3=CC[N@@H+](Cc4cccc(Cl)c4)CC3)no2)cc1Cl ZINC000008599098 553095088 /nfs/dbraw/zinc/09/50/88/553095088.db2.gz NRMFTBRFYIPFBB-UHFFFAOYSA-N 1 1 517.413 5.254 50 0 KKAAMO O=C1N(c2ccccc2)C(=O)C2(Cc3ccc(Cl)cc3N3CC[N@H+](Cc4ccccc4)C[C@H]32)C(=O)N1c1ccccc1 ZINC000008773729 553141810 /nfs/dbraw/zinc/14/18/10/553141810.db2.gz ORQUPXIYXYDAJT-PMERELPUSA-N 1 1 577.084 5.773 50 0 KKAAMO CCOc1ccc(C[C@@H]2c3cc(OCC)c(OCC)cc3CCN2C(=O)C[N@@H+](C)C(C)C)cc1OCC ZINC000008817899 553153145 /nfs/dbraw/zinc/15/31/45/553153145.db2.gz YLHJZWGLPWCDJK-RUZDIDTESA-N 1 1 512.691 5.290 50 0 biogenic KKAAMO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1C[N@H+]1CCCC[C@H]1C ZINC000008856785 553167819 /nfs/dbraw/zinc/16/78/19/553167819.db2.gz ULVSGHLHXYPSAO-QGZVFWFLSA-N 1 1 513.432 5.869 50 0 KKAAMO CCOc1cc2sc(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@H]4C)CC3)nc2cc1Br ZINC000008911688 553184171 /nfs/dbraw/zinc/18/41/71/553184171.db2.gz SIIDFNGFNGSHSD-QGZVFWFLSA-N 1 1 523.541 5.055 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000008923390 553190505 /nfs/dbraw/zinc/19/05/05/553190505.db2.gz MDJLTDUZXUOZDK-DEOSSOPVSA-N 1 1 509.603 5.701 50 0 KKAAMO COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1OC ZINC000009043403 553202912 /nfs/dbraw/zinc/20/29/12/553202912.db2.gz VLTCADDGOJSXEV-RUZDIDTESA-N 1 1 503.668 5.398 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000009066046 553206162 /nfs/dbraw/zinc/20/61/62/553206162.db2.gz LAYVABPTMMISSK-VIJSPRBVSA-N 1 1 519.988 5.647 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000009066046 553206163 /nfs/dbraw/zinc/20/61/63/553206163.db2.gz LAYVABPTMMISSK-VIJSPRBVSA-N 1 1 519.988 5.647 50 0 KKAAMO C[NH+]1CCN(C(=O)c2ccc(Nc3nc4ccc(Br)cc4c(-c4ccccc4)n3)cc2)CC1 ZINC000009311251 553239485 /nfs/dbraw/zinc/23/94/85/553239485.db2.gz SJRBSNPVWDBDOD-UHFFFAOYSA-N 1 1 502.416 5.191 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433044 553262967 /nfs/dbraw/zinc/26/29/67/553262967.db2.gz UPJCCALPMBAUFV-WUFINQPMSA-N 1 1 503.712 5.713 50 0 KKAAMO O=C(NCC[N@@H+](Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433692 553263333 /nfs/dbraw/zinc/26/33/33/553263333.db2.gz HPUUZLKCBMJUKJ-WDYNHAJCSA-N 1 1 531.722 6.125 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433505 553263345 /nfs/dbraw/zinc/26/33/45/553263345.db2.gz GJBGVNWKVVQVRR-URLMMPGGSA-N 1 1 515.723 6.000 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@H](C)C3)sc3c2CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000009805432 553308597 /nfs/dbraw/zinc/30/85/97/553308597.db2.gz FEIXBLRUGKQWAP-RBUKOAKNSA-N 1 1 527.731 5.839 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@H](C)C3)sc3c2CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000009805432 553308600 /nfs/dbraw/zinc/30/86/00/553308600.db2.gz FEIXBLRUGKQWAP-RBUKOAKNSA-N 1 1 527.731 5.839 50 0 KKAAMO Cc1nn(C)c(C)c1[C@H](C)[N@@H+](C)Cc1cc2cc3c(cc2n(Cc2cc4c(cc2Cl)OCO4)c1=O)CCC3 ZINC000011910465 553348824 /nfs/dbraw/zinc/34/88/24/553348824.db2.gz ZFIBLSAZSVUPLQ-SFHVURJKSA-N 1 1 533.072 5.464 50 0 KKAAMO COc1cc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@H+]2CCC[C@H](C)C2)cc(OC)c1 ZINC000012160911 553352964 /nfs/dbraw/zinc/35/29/64/553352964.db2.gz KRJCZDPVYAAWCR-NRFANRHFSA-N 1 1 532.637 5.027 50 0 KKAAMO COc1cccc(CCNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@H+]2CCC[C@H](C)C2)c1 ZINC000012513600 553382549 /nfs/dbraw/zinc/38/25/49/553382549.db2.gz UQQCYVSBACLNDG-QFIPXVFZSA-N 1 1 516.638 5.061 50 0 KKAAMO Cc1ccccc1N=[P@@]1(N2CC[NH+](C)CC2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 ZINC000012524643 553383515 /nfs/dbraw/zinc/38/35/15/553383515.db2.gz JAIKEZRIVUZTRK-LBNCFMOASA-N 1 1 524.653 7.050 50 0 KKAAMO CCN(CC)P(=Nc1cc(Cl)ccc1Cl)([C@H]1CCCC=C1[NH+]1CCOCC1)N(CC)CC ZINC000012583849 553399430 /nfs/dbraw/zinc/39/94/30/553399430.db2.gz CCGPOMDKIPILPD-DEOSSOPVSA-N 1 1 501.483 7.108 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000012629220 553405249 /nfs/dbraw/zinc/40/52/49/553405249.db2.gz FEIXBLRUGKQWAP-OALUTQOASA-N 1 1 527.731 5.839 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000012629220 553405250 /nfs/dbraw/zinc/40/52/50/553405250.db2.gz FEIXBLRUGKQWAP-OALUTQOASA-N 1 1 527.731 5.839 50 0 KKAAMO CC1CC[NH+](Cc2nc3scc(-c4ccccc4)c3c(-n3nnc(-c4ccccc4Cl)n3)n2)CC1 ZINC000012642968 553408586 /nfs/dbraw/zinc/40/85/86/553408586.db2.gz VAAIVBZKHVRJFX-UHFFFAOYSA-N 1 1 502.047 5.886 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)C1=CC[C@@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@H+](C)CC3)OCO2 ZINC000012659571 553411512 /nfs/dbraw/zinc/41/15/12/553411512.db2.gz OZJCHCMGKZJUAK-PMFXHFMISA-N 1 1 535.725 5.852 50 0 biogenic KKAAMO COc1c2c(cc3c1[C@H](CC(=O)C1=CC[C@@H]4[C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@@H+](C)CC3)OCO2 ZINC000012659571 553411513 /nfs/dbraw/zinc/41/15/13/553411513.db2.gz OZJCHCMGKZJUAK-PMFXHFMISA-N 1 1 535.725 5.852 50 0 biogenic KKAAMO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000013557393 553471361 /nfs/dbraw/zinc/47/13/61/553471361.db2.gz WUQRMOZCHQNWIH-SHRQFBHGSA-N 1 1 518.400 5.008 50 0 KKAAMO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000013557393 553471363 /nfs/dbraw/zinc/47/13/63/553471363.db2.gz WUQRMOZCHQNWIH-SHRQFBHGSA-N 1 1 518.400 5.008 50 0 KKAAMO CCOc1c(Br)cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000014358747 553513170 /nfs/dbraw/zinc/51/31/70/553513170.db2.gz NQZSDMFBCOFQTQ-UHFFFAOYSA-N 1 1 509.444 5.404 50 0 KKAAMO O=C1N[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015945365 553544034 /nfs/dbraw/zinc/54/40/34/553544034.db2.gz HZWKHWFQTWWTFH-XMMPIXPASA-N 1 1 510.446 7.302 50 0 KKAAMO O=C1N[C@@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015945365 553544035 /nfs/dbraw/zinc/54/40/35/553544035.db2.gz HZWKHWFQTWWTFH-XMMPIXPASA-N 1 1 510.446 7.302 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000015947261 553545073 /nfs/dbraw/zinc/54/50/73/553545073.db2.gz ZQOLKVJBARGKNO-MHZLTWQESA-N 1 1 527.646 6.326 50 0 KKAAMO O=C1N[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015947334 553545405 /nfs/dbraw/zinc/54/54/05/553545405.db2.gz PQWAKSWHWKWPRE-XMMPIXPASA-N 1 1 509.553 7.014 50 0 KKAAMO O=C1N[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015947334 553545407 /nfs/dbraw/zinc/54/54/07/553545407.db2.gz PQWAKSWHWKWPRE-XMMPIXPASA-N 1 1 509.553 7.014 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016037890 553552589 /nfs/dbraw/zinc/55/25/89/553552589.db2.gz QQSMWQXCJPULCO-KEZOAJOQSA-N 1 1 504.373 5.148 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016037890 553552591 /nfs/dbraw/zinc/55/25/91/553552591.db2.gz QQSMWQXCJPULCO-KEZOAJOQSA-N 1 1 504.373 5.148 50 0 KKAAMO CCCCc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000016652328 553571063 /nfs/dbraw/zinc/57/10/63/553571063.db2.gz ZOZBKFVXURCJST-UHFFFAOYSA-N 1 1 531.697 5.016 50 0 KKAAMO FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)c1 ZINC000016712795 553575008 /nfs/dbraw/zinc/57/50/08/553575008.db2.gz IWQLUSCZJDAGQO-UHFFFAOYSA-N 1 1 512.579 7.565 50 0 KKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C(F)(F)F)c3)C[C@@H]2C)c1 ZINC000017123126 553588197 /nfs/dbraw/zinc/58/81/97/553588197.db2.gz JDGAPNVLODTFKW-QFIPXVFZSA-N 1 1 527.594 7.130 50 0 KKAAMO Clc1ccc([C@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3cnn4-c3ccc(Cl)cc3)CC2)cc1 ZINC000017178337 553589940 /nfs/dbraw/zinc/58/99/40/553589940.db2.gz OPVXNLPUKLJHLU-SANMLTNESA-N 1 1 515.448 6.034 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000020179477 553603360 /nfs/dbraw/zinc/60/33/60/553603360.db2.gz HAQWBEPLHZDGAI-DIBXZPPDSA-N 1 1 501.627 5.283 50 0 KKAAMO CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000020180287 553603999 /nfs/dbraw/zinc/60/39/99/553603999.db2.gz QSZSBSAGEDMSFZ-ITYLOYPMSA-N 1 1 504.055 5.408 50 0 KKAAMO Fc1ccc(OCC[NH+]2CCN([C@@H]3Cc4ccc(F)cc4Sc4cc(F)c(Cl)cc43)CC2)cc1 ZINC000019802410 553617551 /nfs/dbraw/zinc/61/75/51/553617551.db2.gz IJNMHRAMFXVDQO-XMMPIXPASA-N 1 1 505.005 6.202 50 0 KKAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070700157 553617992 /nfs/dbraw/zinc/61/79/92/553617992.db2.gz QKXWOBPJMKIGES-JDPWCRRISA-N 1 1 517.585 5.064 50 0 biogenic KKAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@H]2C(C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070700157 553618000 /nfs/dbraw/zinc/61/80/00/553618000.db2.gz QKXWOBPJMKIGES-JDPWCRRISA-N 1 1 517.585 5.064 50 0 biogenic KKAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[N@H+]2CCC[C@H]2C(C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070700157 553618004 /nfs/dbraw/zinc/61/80/04/553618004.db2.gz QKXWOBPJMKIGES-JDPWCRRISA-N 1 1 517.585 5.064 50 0 biogenic KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070705128 553624553 /nfs/dbraw/zinc/62/45/53/553624553.db2.gz YEKWPWNFSXDCDC-BANVDVKSSA-N 1 1 556.062 5.450 50 0 biogenic KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070705128 553624555 /nfs/dbraw/zinc/62/45/55/553624555.db2.gz YEKWPWNFSXDCDC-BANVDVKSSA-N 1 1 556.062 5.450 50 0 biogenic KKAAMO COc1cc2c(cc1Br)n(-c1ccccc1)c(C)c2C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019857817 553628926 /nfs/dbraw/zinc/62/89/26/553628926.db2.gz LRASVOCLBNZTQQ-UHFFFAOYSA-N 1 1 518.455 5.668 50 0 KKAAMO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019880229 553629310 /nfs/dbraw/zinc/62/93/10/553629310.db2.gz MBNRRRMQKPDSSO-SSEXGKCCSA-N 1 1 525.718 6.533 50 0 KKAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000020249771 553629492 /nfs/dbraw/zinc/62/94/92/553629492.db2.gz FPSOSFQKVBVUGL-UHFFFAOYSA-N 1 1 516.439 5.631 50 0 KKAAMO O=C1C[C@@H](/C=C/c2ccccc2)Cc2nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ncc21 ZINC000019921500 553633397 /nfs/dbraw/zinc/63/33/97/553633397.db2.gz PPCOJMVVWUJTOV-ZOGILVBSSA-N 1 1 500.646 5.847 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)cc3)C2=O)c1 ZINC000020355489 553641657 /nfs/dbraw/zinc/64/16/57/553641657.db2.gz GMWXSASUYHLBIY-SRWDPJRNSA-N 1 1 523.677 5.814 50 0 KKAAMO CCOc1ccc(-c2n[nH]cc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1Cl ZINC000072328713 553648991 /nfs/dbraw/zinc/64/89/91/553648991.db2.gz VUCJDQQBOCFVJQ-UHFFFAOYSA-N 1 1 501.030 5.676 50 0 KKAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)cc2)CC1 ZINC000020508479 553668026 /nfs/dbraw/zinc/66/80/26/553668026.db2.gz XOMYJDZULCAASN-URLMMPGGSA-N 1 1 530.738 5.461 50 0 KKAAMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000079204460 553669844 /nfs/dbraw/zinc/66/98/44/553669844.db2.gz IOJSFOKYYCHIOW-XJYNGCMMSA-N 1 1 656.864 7.531 50 0 biogenic KKAAMO COc1cc2oc(=O)c(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(C)c2cc1Cl ZINC000020591843 553676939 /nfs/dbraw/zinc/67/69/39/553676939.db2.gz BTLVFADAQHBZLJ-UHFFFAOYSA-N 1 1 517.025 5.240 50 0 KKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)CN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)Sc3ccccc32)C1 ZINC000020727882 553690991 /nfs/dbraw/zinc/69/09/91/553690991.db2.gz PAIZSPIFKXWLNH-VKINRBECSA-N 1 1 517.617 5.423 50 0 KKAAMO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C[C@@H](O)CC2c3ccccc3-c3ccccc32)CC1 ZINC000020790575 553698104 /nfs/dbraw/zinc/69/81/04/553698104.db2.gz GJHFZSLUXJCFOI-IZZNHLLZSA-N 1 1 531.700 5.337 50 0 KKAAMO O=c1nc(CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]c2scc(-c3ccc(Cl)cc3)c21 ZINC000021486431 553709905 /nfs/dbraw/zinc/70/99/05/553709905.db2.gz FKDNGEIBUXWXCI-UHFFFAOYSA-N 1 1 527.093 6.212 50 0 KKAAMO O[C@H](CC1c2ccccc2-c2ccccc21)CN1CC[NH+](C[C@H](O)C[C@@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000095742833 553712396 /nfs/dbraw/zinc/71/23/96/553712396.db2.gz NFKZAYGAZSLISU-DSRMTXSPSA-N 1 1 767.400 8.019 50 0 KKAAMO CCOc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1 ZINC000021796388 553716773 /nfs/dbraw/zinc/71/67/73/553716773.db2.gz ZBFXBCBUPHLZMQ-UHFFFAOYSA-N 1 1 503.606 5.449 50 0 KKAAMO O=C(c1ccc(Cl)cc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796437 553717045 /nfs/dbraw/zinc/71/70/45/553717045.db2.gz QFWMRBUZBGGHRS-UHFFFAOYSA-N 1 1 511.988 5.842 50 0 KKAAMO COc1cccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)c1 ZINC000021796509 553717069 /nfs/dbraw/zinc/71/70/69/553717069.db2.gz XAJTZZDGLSNQST-UHFFFAOYSA-N 1 1 507.569 5.198 50 0 KKAAMO COc1cccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)CC2)c1 ZINC000021796423 553717091 /nfs/dbraw/zinc/71/70/91/553717091.db2.gz VBTOKAAOCBPFAP-UHFFFAOYSA-N 1 1 524.024 5.712 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(C)c(C)c4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096276780 553733516 /nfs/dbraw/zinc/73/35/16/553733516.db2.gz BAXQEISFXMKNCL-UHFFFAOYSA-N 1 1 512.629 5.476 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2cccc(OCc3ccccc3)c2)CC1 ZINC000096278248 553734616 /nfs/dbraw/zinc/73/46/16/553734616.db2.gz LXNBECXNFDOQFB-AREMUKBSSA-N 1 1 502.058 6.086 50 0 KKAAMO CO[C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5cc(C)ccc5C)cn43)CC2)C1 ZINC000096287423 553738322 /nfs/dbraw/zinc/73/83/22/553738322.db2.gz QWZYENBVNOTNSG-YTMVLYRLSA-N 1 1 536.720 6.135 50 0 KKAAMO Cc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000096288335 553739824 /nfs/dbraw/zinc/73/98/24/553739824.db2.gz NMIMUDAXSUWDJU-UHFFFAOYSA-N 1 1 515.101 6.711 50 0 KKAAMO CC(=O)c1ccc(-c2ccc3nc(-c4ccc(C)cc4)c(C[NH+]4CCN(C(=O)CC(C)C)CC4)n3c2)cc1 ZINC000096292039 553745711 /nfs/dbraw/zinc/74/57/11/553745711.db2.gz BURIMAQMKFIIKM-UHFFFAOYSA-N 1 1 508.666 5.870 50 0 KKAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3ccc(C)cc3)nc3ccc(-c4cc5ccccc5s4)cn32)CC1 ZINC000096294441 553747825 /nfs/dbraw/zinc/74/78/25/553747825.db2.gz NKSPCELPTQEIJT-UHFFFAOYSA-N 1 1 508.691 6.288 50 0 KKAAMO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000023153844 553771077 /nfs/dbraw/zinc/77/10/77/553771077.db2.gz ATORAZUXYGSZAW-UHFFFAOYSA-N 1 1 511.672 6.844 50 0 KKAAMO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000023153844 553771079 /nfs/dbraw/zinc/77/10/79/553771079.db2.gz ATORAZUXYGSZAW-UHFFFAOYSA-N 1 1 511.672 6.844 50 0 KKAAMO CCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000023153850 553771120 /nfs/dbraw/zinc/77/11/20/553771120.db2.gz OIRVJNNFNQBEDH-UHFFFAOYSA-N 1 1 525.699 7.234 50 0 KKAAMO CCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000023153850 553771122 /nfs/dbraw/zinc/77/11/22/553771122.db2.gz OIRVJNNFNQBEDH-UHFFFAOYSA-N 1 1 525.699 7.234 50 0 KKAAMO Cc1c(Cl)ccc2c(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc(-c3cccnc3)nc12 ZINC000097945642 553773617 /nfs/dbraw/zinc/77/36/17/553773617.db2.gz ZEOIQLIKGHXGET-UHFFFAOYSA-N 1 1 533.075 6.806 50 0 KKAAMO CCc1ccc(C(=O)N2CC[NH+](CCCOC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023425164 553775131 /nfs/dbraw/zinc/77/51/31/553775131.db2.gz AMZAIXYIGJFMFG-UHFFFAOYSA-N 1 1 511.493 6.510 50 0 KKAAMO CCOc1cccc(-c2cccc(-c3nc(C[N@H+]4CCC[C@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c1 ZINC000025155773 553798756 /nfs/dbraw/zinc/79/87/56/553798756.db2.gz OTAQGNADWZKEKY-HHHXNRCGSA-N 1 1 538.801 9.018 50 0 KKAAMO COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c(Cl)c3N2)cc1OC ZINC000097949073 553798960 /nfs/dbraw/zinc/79/89/60/553798960.db2.gz OXCBLIRISASFDZ-RPLLCQBOSA-N 1 1 640.106 6.761 50 0 KKAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4C(F)(F)F)C3=O)cc2)CC1 ZINC000097956336 553838004 /nfs/dbraw/zinc/83/80/04/553838004.db2.gz XOECFYZNNWJQEB-OSWZSTQVSA-N 1 1 579.644 6.461 50 0 KKAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3=O)cc2)CC1 ZINC000097956457 553839116 /nfs/dbraw/zinc/83/91/16/553839116.db2.gz YLTVQLDYAUUHQP-GGMSWHNTSA-N 1 1 579.644 6.461 50 0 KKAAMO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](C)C4)cc2)C1 ZINC000097963386 553889321 /nfs/dbraw/zinc/88/93/21/553889321.db2.gz GGJXJJRUZMHFQS-SFHVURJKSA-N 1 1 566.774 5.686 50 0 KKAAMO C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](C)C4)cc2)C1 ZINC000097963386 553889322 /nfs/dbraw/zinc/88/93/22/553889322.db2.gz GGJXJJRUZMHFQS-SFHVURJKSA-N 1 1 566.774 5.686 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963414 553889669 /nfs/dbraw/zinc/88/96/69/553889669.db2.gz UQMFXZFWMSNQBU-UHFFFAOYSA-N 1 1 614.818 6.797 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963414 553889673 /nfs/dbraw/zinc/88/96/73/553889673.db2.gz UQMFXZFWMSNQBU-UHFFFAOYSA-N 1 1 614.818 6.797 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963412 553889680 /nfs/dbraw/zinc/88/96/80/553889680.db2.gz OEVANWWTRPIGRR-KDURUIRLSA-N 1 1 596.800 5.453 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963412 553889684 /nfs/dbraw/zinc/88/96/84/553889684.db2.gz OEVANWWTRPIGRR-KDURUIRLSA-N 1 1 596.800 5.453 50 0 KKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963392 553889786 /nfs/dbraw/zinc/88/97/86/553889786.db2.gz YBQQTMHTZXFWLX-UHFFFAOYSA-N 1 1 600.791 6.012 50 0 KKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963392 553889787 /nfs/dbraw/zinc/88/97/87/553889787.db2.gz YBQQTMHTZXFWLX-UHFFFAOYSA-N 1 1 600.791 6.012 50 0 KKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963391 553889839 /nfs/dbraw/zinc/88/98/39/553889839.db2.gz CFOYAUZALHMODY-UHFFFAOYSA-N 1 1 600.791 6.407 50 0 KKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963391 553889842 /nfs/dbraw/zinc/88/98/42/553889842.db2.gz CFOYAUZALHMODY-UHFFFAOYSA-N 1 1 600.791 6.407 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)/C=C/c3ccc(F)cc3)CC2)cc1 ZINC000097965098 553902826 /nfs/dbraw/zinc/90/28/26/553902826.db2.gz BDRDHEMTMPKNRF-CXUHLZMHSA-N 1 1 533.607 5.597 50 0 KKAAMO CCOC(=O)c1ccc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000033357145 553946792 /nfs/dbraw/zinc/94/67/92/553946792.db2.gz KOIBFTNRKKQZSE-UHFFFAOYSA-N 1 1 537.016 5.212 50 0 KKAAMO COc1ccc(NC(=O)N(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)CC(C)C)cc1 ZINC000033782840 553973526 /nfs/dbraw/zinc/97/35/26/553973526.db2.gz XBSVYWUGIINTEM-UHFFFAOYSA-N 1 1 528.697 5.509 50 0 KKAAMO COc1ccc(C[C@H](C)[N@H+](Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c(NC=O)c2)cc1 ZINC000034657168 553981838 /nfs/dbraw/zinc/98/18/38/553981838.db2.gz RVGUTXYKHMDBPX-UKJJDJLKSA-N 1 1 524.661 6.009 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671717 553982399 /nfs/dbraw/zinc/98/23/99/553982399.db2.gz UABWLVIVSKWJTJ-CZNDPXEESA-N 1 1 522.664 6.756 50 0 KKAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1ccc(F)cc1F ZINC000034681905 553985710 /nfs/dbraw/zinc/98/57/10/553985710.db2.gz JICKEWVLGQWGPA-UHFFFAOYSA-N 1 1 514.576 6.117 50 0 KKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c(OC)c1 ZINC000034683673 553985886 /nfs/dbraw/zinc/98/58/86/553985886.db2.gz JEBHDMFOZMXNDH-UHFFFAOYSA-N 1 1 519.038 5.356 50 0 KKAAMO COc1cccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC ZINC000034683760 553986346 /nfs/dbraw/zinc/98/63/46/553986346.db2.gz VSHNTUHTCMBFIO-UHFFFAOYSA-N 1 1 515.075 5.526 50 0 KKAAMO O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccccc2C(F)(F)F)CC1 ZINC000034683922 553986362 /nfs/dbraw/zinc/98/63/62/553986362.db2.gz QVQNMIJSPGZKMW-UHFFFAOYSA-N 1 1 510.528 5.844 50 0 KKAAMO CC(C)CNC(=O)c1coc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)n1 ZINC000034685551 553987020 /nfs/dbraw/zinc/98/70/20/553987020.db2.gz GZSOPWKRSAKUNT-PMERELPUSA-N 1 1 513.613 5.926 50 0 KKAAMO CC(C)CNC(=O)c1coc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)n1 ZINC000034685551 553987022 /nfs/dbraw/zinc/98/70/22/553987022.db2.gz GZSOPWKRSAKUNT-PMERELPUSA-N 1 1 513.613 5.926 50 0 KKAAMO O=C(NCC1CC1)c1coc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)n1 ZINC000034685554 553987030 /nfs/dbraw/zinc/98/70/30/553987030.db2.gz FPBLWEVZFVBPHM-PMERELPUSA-N 1 1 511.597 5.680 50 0 KKAAMO O=C(NCC1CC1)c1coc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)n1 ZINC000034685554 553987032 /nfs/dbraw/zinc/98/70/32/553987032.db2.gz FPBLWEVZFVBPHM-PMERELPUSA-N 1 1 511.597 5.680 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685547 553987056 /nfs/dbraw/zinc/98/70/56/553987056.db2.gz JTRWYHLIOZQWIU-IOWSJCHKSA-N 1 1 512.625 6.382 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685547 553987059 /nfs/dbraw/zinc/98/70/59/553987059.db2.gz JTRWYHLIOZQWIU-IOWSJCHKSA-N 1 1 512.625 6.382 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698841 553991496 /nfs/dbraw/zinc/99/14/96/553991496.db2.gz RVLBJJXCIDMPPN-NEEKEDPPSA-N 1 1 502.649 6.964 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699126 553991765 /nfs/dbraw/zinc/99/17/65/553991765.db2.gz ROTDXEFQIGLLJT-BKMJKUGQSA-N 1 1 501.568 6.187 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699116 553991882 /nfs/dbraw/zinc/99/18/82/553991882.db2.gz XKMMYWSSKCSTQC-BKMJKUGQSA-N 1 1 518.620 6.920 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699117 553992080 /nfs/dbraw/zinc/99/20/80/553992080.db2.gz XKMMYWSSKCSTQC-ATIYNZHBSA-N 1 1 518.620 6.920 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698883 553992092 /nfs/dbraw/zinc/99/20/92/553992092.db2.gz PBHKFLMPTSNKMG-OFSOJUDTSA-N 1 1 534.666 7.705 50 0 KKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699157 553992348 /nfs/dbraw/zinc/99/23/48/553992348.db2.gz BANXZYFKGPGFNK-ATIYNZHBSA-N 1 1 501.568 5.949 50 0 KKAAMO FC(F)(F)c1ccc(C[N@H+]2CCCN(c3nc4ccccc4c4nnc(Cc5ccccc5)n43)CC2)cc1 ZINC000034707936 553993905 /nfs/dbraw/zinc/99/39/05/553993905.db2.gz MHCKDVWWYMACSN-UHFFFAOYSA-N 1 1 516.571 5.599 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787112 554004343 /nfs/dbraw/zinc/00/43/43/554004343.db2.gz CKXLCLMVIZJVKR-GDLZYMKVSA-N 1 1 501.696 5.023 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787112 554004347 /nfs/dbraw/zinc/00/43/47/554004347.db2.gz CKXLCLMVIZJVKR-GDLZYMKVSA-N 1 1 501.696 5.023 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3Cl)[C@H](C)C2)cc1 ZINC000034829712 554012669 /nfs/dbraw/zinc/01/26/69/554012669.db2.gz MOXXCNGBANLRTH-NFQMXDRXSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3Cl)[C@H](C)C2)cc1 ZINC000034829712 554012666 /nfs/dbraw/zinc/01/26/66/554012666.db2.gz MOXXCNGBANLRTH-NFQMXDRXSA-N 1 1 508.087 5.031 50 0 KKAAMO COc1ccccc1-c1cc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000034834316 554018635 /nfs/dbraw/zinc/01/86/35/554018635.db2.gz ZHYKWRNJERORFZ-HXUWFJFHSA-N 1 1 518.061 5.720 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccccc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000034859678 554021731 /nfs/dbraw/zinc/02/17/31/554021731.db2.gz CSUQHRYVIMMDIO-MTSDRYNISA-N 1 1 507.659 6.445 50 0 KKAAMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@@H](C(C)(C)C)C2 ZINC000034895301 554023707 /nfs/dbraw/zinc/02/37/07/554023707.db2.gz IWNNHZUAWFVNEH-WOJBJXKFSA-N 1 1 541.758 6.372 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@@H](C(C)(C)C)C2 ZINC000034895301 554023711 /nfs/dbraw/zinc/02/37/11/554023711.db2.gz IWNNHZUAWFVNEH-WOJBJXKFSA-N 1 1 541.758 6.372 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2C)CC[N@H+](C)C4)cc1 ZINC000035427143 554050593 /nfs/dbraw/zinc/05/05/93/554050593.db2.gz KXCHHPPEJHDYPQ-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2C)CC[N@@H+](C)C4)cc1 ZINC000035427143 554050596 /nfs/dbraw/zinc/05/05/96/554050596.db2.gz KXCHHPPEJHDYPQ-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(C)c2C)CC[N@@H+](C)C4)cc1 ZINC000035427132 554050626 /nfs/dbraw/zinc/05/06/26/554050626.db2.gz FJXRMBMKUZHIPK-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(C)c2C)CC[N@H+](C)C4)cc1 ZINC000035427132 554050623 /nfs/dbraw/zinc/05/06/23/554050623.db2.gz FJXRMBMKUZHIPK-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000035427158 554050632 /nfs/dbraw/zinc/05/06/32/554050632.db2.gz BHCXHXDKMDVGOF-NDEPHWFRSA-N 1 1 512.679 6.235 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000035427158 554050636 /nfs/dbraw/zinc/05/06/36/554050636.db2.gz BHCXHXDKMDVGOF-NDEPHWFRSA-N 1 1 512.679 6.235 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2C)CC[N@H+](C)C4)cc1 ZINC000035427163 554050777 /nfs/dbraw/zinc/05/07/77/554050777.db2.gz IKQQIOAWEZFYJI-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2C)CC[N@@H+](C)C4)cc1 ZINC000035427163 554050780 /nfs/dbraw/zinc/05/07/80/554050780.db2.gz IKQQIOAWEZFYJI-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(OC)c2)C[N@@H+](C)CC4)c1 ZINC000035427289 554051520 /nfs/dbraw/zinc/05/15/20/554051520.db2.gz PMAHMLXKLVWNJN-HHHXNRCGSA-N 1 1 514.651 5.681 50 0 KKAAMO COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(OC)c2)C[N@H+](C)CC4)c1 ZINC000035427289 554051522 /nfs/dbraw/zinc/05/15/22/554051522.db2.gz PMAHMLXKLVWNJN-HHHXNRCGSA-N 1 1 514.651 5.681 50 0 KKAAMO Cc1cc(C)cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@H+](C)CC4)c1 ZINC000035427248 554051530 /nfs/dbraw/zinc/05/15/30/554051530.db2.gz YUFLFLKLXXFIFE-HHHXNRCGSA-N 1 1 500.643 6.420 50 0 KKAAMO Cc1cc(C)cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)c1 ZINC000035427248 554051534 /nfs/dbraw/zinc/05/15/34/554051534.db2.gz YUFLFLKLXXFIFE-HHHXNRCGSA-N 1 1 500.643 6.420 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c1C ZINC000035427348 554051822 /nfs/dbraw/zinc/05/18/22/554051822.db2.gz MYDXDHYHWTYXHJ-MHZLTWQESA-N 1 1 517.098 6.934 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c1C ZINC000035427348 554051819 /nfs/dbraw/zinc/05/18/19/554051819.db2.gz MYDXDHYHWTYXHJ-MHZLTWQESA-N 1 1 517.098 6.934 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2C)CC[N@H+](C)C4)c1 ZINC000035427315 554051887 /nfs/dbraw/zinc/05/18/87/554051887.db2.gz MQOPNOCOZLWHCB-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2OC)CC[N@@H+](C)C4)c1 ZINC000035427338 554051902 /nfs/dbraw/zinc/05/19/02/554051902.db2.gz PCZAFQBQCBVRHH-MUUNZHRXSA-N 1 1 528.678 5.989 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2C)CC[N@@H+](C)C4)c1 ZINC000035427315 554051891 /nfs/dbraw/zinc/05/18/91/554051891.db2.gz MQOPNOCOZLWHCB-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2OC)CC[N@H+](C)C4)c1 ZINC000035427338 554051899 /nfs/dbraw/zinc/05/18/99/554051899.db2.gz PCZAFQBQCBVRHH-MUUNZHRXSA-N 1 1 528.678 5.989 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2C)CC[N@@H+](C)C4)c1 ZINC000035427303 554051939 /nfs/dbraw/zinc/05/19/39/554051939.db2.gz RTXRJCPOYQLSDJ-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2C)CC[N@H+](C)C4)c1 ZINC000035427303 554051934 /nfs/dbraw/zinc/05/19/34/554051934.db2.gz RTXRJCPOYQLSDJ-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c1 ZINC000035427354 554052271 /nfs/dbraw/zinc/05/22/71/554052271.db2.gz SMLVJDHSQYFXBL-HHHXNRCGSA-N 1 1 517.098 6.934 50 0 KKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c1 ZINC000035427354 554052275 /nfs/dbraw/zinc/05/22/75/554052275.db2.gz SMLVJDHSQYFXBL-HHHXNRCGSA-N 1 1 517.098 6.934 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(Cl)c1)C[N@@H+](C)CC3 ZINC000035427364 554052293 /nfs/dbraw/zinc/05/22/93/554052293.db2.gz GGMUDSBYBDJXBH-MHZLTWQESA-N 1 1 517.098 6.880 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(Cl)c1)C[N@H+](C)CC3 ZINC000035427364 554052297 /nfs/dbraw/zinc/05/22/97/554052297.db2.gz GGMUDSBYBDJXBH-MHZLTWQESA-N 1 1 517.098 6.880 50 0 KKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c1 ZINC000035427352 554052319 /nfs/dbraw/zinc/05/23/19/554052319.db2.gz SMLVJDHSQYFXBL-MHZLTWQESA-N 1 1 517.098 6.934 50 0 KKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c1 ZINC000035427352 554052323 /nfs/dbraw/zinc/05/23/23/554052323.db2.gz SMLVJDHSQYFXBL-MHZLTWQESA-N 1 1 517.098 6.934 50 0 KKAAMO COc1cccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cc(C)ccc3n2)c1 ZINC000035708793 554065802 /nfs/dbraw/zinc/06/58/02/554065802.db2.gz NITHKNQKNRKOKD-UHFFFAOYSA-N 1 1 527.668 6.766 50 0 KKAAMO C[C@H](NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)c1ccccc1 ZINC000098009850 554071600 /nfs/dbraw/zinc/07/16/00/554071600.db2.gz NUOYAEGILGQPCJ-DEOSSOPVSA-N 1 1 558.126 5.746 50 0 KKAAMO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccccc1 ZINC000035842726 554081569 /nfs/dbraw/zinc/08/15/69/554081569.db2.gz JWBHWWNGKFNCOH-UHFFFAOYSA-N 1 1 504.074 5.931 50 0 KKAAMO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871441 554085708 /nfs/dbraw/zinc/08/57/08/554085708.db2.gz XGMJJTFICUCZKJ-XNMGPUDCSA-N 1 1 511.563 5.067 50 0 KKAAMO O=C(NCc1ccco1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871392 554085876 /nfs/dbraw/zinc/08/58/76/554085876.db2.gz PSYPOUXRHNSNTM-ISKFKSNPSA-N 1 1 503.952 5.131 50 0 KKAAMO COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCc4ccccc4)C[C@H]23)c1 ZINC000035871975 554086568 /nfs/dbraw/zinc/08/65/68/554086568.db2.gz YAFRJORLWKGUDR-XNMGPUDCSA-N 1 1 509.572 5.258 50 0 KKAAMO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908046 554092355 /nfs/dbraw/zinc/09/23/55/554092355.db2.gz LJTKYKHOOQYBBA-ILBGXUMGSA-N 1 1 517.592 5.128 50 0 KKAAMO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908047 554092499 /nfs/dbraw/zinc/09/24/99/554092499.db2.gz LJTKYKHOOQYBBA-UKILVPOCSA-N 1 1 517.592 5.128 50 0 KKAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cccc(OC)c3OC)c[nH]c21 ZINC000035910631 554094463 /nfs/dbraw/zinc/09/44/63/554094463.db2.gz LMWZPDYHGRKNDS-MHZLTWQESA-N 1 1 511.666 5.614 50 0 KKAAMO COc1cccc(C[NH+]2CCN(c3nc(Cc4ccc(C)cc4)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000035924706 554097073 /nfs/dbraw/zinc/09/70/73/554097073.db2.gz RYHGHLBWIMIROG-UHFFFAOYSA-N 1 1 518.665 5.354 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccc5c(c4)CCC5)cnn(-c4ccc(Cl)c(Cl)c4)c3=O)c2)CC1 ZINC000098015603 554101004 /nfs/dbraw/zinc/10/10/04/554101004.db2.gz NKEMCVSLLMEVCY-UHFFFAOYSA-N 1 1 604.538 6.342 50 0 KKAAMO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)n2)cc1 ZINC000035927816 554101224 /nfs/dbraw/zinc/10/12/24/554101224.db2.gz OWHNPIVVMRUNKX-UHFFFAOYSA-N 1 1 506.629 5.566 50 0 KKAAMO COc1ccc([C@@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cn(C)c3ccccc23)cc1OC ZINC000098016526 554102042 /nfs/dbraw/zinc/10/20/42/554102042.db2.gz BXYHDVSPUBEGPM-WJOKGBTCSA-N 1 1 573.737 6.651 50 0 KKAAMO O=C(CN(Cc1ccccc1)c1nc(Cc2ccc(F)cc2)ns1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098016674 554102923 /nfs/dbraw/zinc/10/29/23/554102923.db2.gz VOLYYRGRDSBIHI-UHFFFAOYSA-N 1 1 591.756 6.208 50 0 KKAAMO CNC(=O)[C@@H](c1ccccc1)[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1 ZINC000035953488 554107791 /nfs/dbraw/zinc/10/77/91/554107791.db2.gz DKMACHNQISHMDN-RPLLCQBOSA-N 1 1 512.572 5.742 50 0 investigational KKAAMO CNC(=O)[C@@H](c1ccccc1)[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1 ZINC000035953488 554107793 /nfs/dbraw/zinc/10/77/93/554107793.db2.gz DKMACHNQISHMDN-RPLLCQBOSA-N 1 1 512.572 5.742 50 0 investigational KKAAMO CCCCCc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccc(F)cc2)cc1 ZINC000098017921 554111168 /nfs/dbraw/zinc/11/11/68/554111168.db2.gz DKXVUSJHZNVAGA-UHFFFAOYSA-N 1 1 563.714 5.545 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000098020116 554116869 /nfs/dbraw/zinc/11/68/69/554116869.db2.gz LROYAUBYIGLGBU-YTTGMZPUSA-N 1 1 569.790 5.979 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000098020115 554116897 /nfs/dbraw/zinc/11/68/97/554116897.db2.gz LROYAUBYIGLGBU-JGCGQSQUSA-N 1 1 569.790 5.979 50 0 KKAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000098042736 554121820 /nfs/dbraw/zinc/12/18/20/554121820.db2.gz BHNNXPUCPQIHHL-UHFFFAOYSA-N 1 1 558.520 6.754 50 0 KKAAMO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21)C[NH+]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000098043740 554128659 /nfs/dbraw/zinc/12/86/59/554128659.db2.gz IFUTVBBIKMJMLR-LOSJGSFVSA-N 1 1 769.376 7.230 50 0 KKAAMO Fc1ccc(C(OCC[NH+]2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000098043794 554128952 /nfs/dbraw/zinc/12/89/52/554128952.db2.gz MUPLBKQJHFZWCK-UHFFFAOYSA-N 1 1 534.597 6.756 50 0 KKAAMO COc1ccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccc(F)cc4)[C@H](c4ccc(F)cc4)N23)cc1 ZINC000036007040 554131965 /nfs/dbraw/zinc/13/19/65/554131965.db2.gz JOYXXXWCYAFKLT-NKVKBKOUSA-N 1 1 513.613 6.715 50 0 KKAAMO Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098045654 554132975 /nfs/dbraw/zinc/13/29/75/554132975.db2.gz JFGWREPGQKODLK-PGUFJCEWSA-N 1 1 554.694 5.955 50 0 KKAAMO O[C@@H](Cn1c2ccc(I)cc2c2cc(I)ccc21)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000098048138 554159936 /nfs/dbraw/zinc/15/99/36/554159936.db2.gz XRPGHOCYUVKYDR-HSZRJFAPSA-N 1 1 665.357 5.225 50 0 KKAAMO COc1ccc([C@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000100065344 554199585 /nfs/dbraw/zinc/19/95/85/554199585.db2.gz ONYKOVWHVPMPEP-XTEPFMGCSA-N 1 1 565.501 5.494 50 0 KKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(OC)cc1 ZINC000036167677 554199938 /nfs/dbraw/zinc/19/99/38/554199938.db2.gz WJTDQGVXKFAFAU-UHFFFAOYSA-N 1 1 507.577 5.889 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)ccc1F ZINC000036189011 554200679 /nfs/dbraw/zinc/20/06/79/554200679.db2.gz PYAQWOFMIJEUFH-UHFFFAOYSA-N 1 1 514.450 5.024 50 0 KKAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@H](O)Cc4ccccc4)C4CCCCC4)nc(=O)c23)cc1C ZINC000036205355 554201324 /nfs/dbraw/zinc/20/13/24/554201324.db2.gz BQPSENSCVSOJSF-RUZDIDTESA-N 1 1 501.696 6.007 50 0 KKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COCc3ccco3)c(C)nn2-c2ccccc2)cc1 ZINC000036302355 554212293 /nfs/dbraw/zinc/21/22/93/554212293.db2.gz QXCMYGNPDYIWRL-VWLOTQADSA-N 1 1 519.642 5.610 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000036302745 554212819 /nfs/dbraw/zinc/21/28/19/554212819.db2.gz PEGFIKUPYFXTIJ-MHZLTWQESA-N 1 1 527.665 5.778 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000036302745 554212823 /nfs/dbraw/zinc/21/28/23/554212823.db2.gz PEGFIKUPYFXTIJ-MHZLTWQESA-N 1 1 527.665 5.778 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000036302748 554212944 /nfs/dbraw/zinc/21/29/44/554212944.db2.gz PEGFIKUPYFXTIJ-HHHXNRCGSA-N 1 1 527.665 5.778 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000036302748 554212941 /nfs/dbraw/zinc/21/29/41/554212941.db2.gz PEGFIKUPYFXTIJ-HHHXNRCGSA-N 1 1 527.665 5.778 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000036303010 554213013 /nfs/dbraw/zinc/21/30/13/554213013.db2.gz FNEGCMADRYJMFX-AHWVRZQESA-N 1 1 507.675 5.384 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000036303010 554213011 /nfs/dbraw/zinc/21/30/11/554213011.db2.gz FNEGCMADRYJMFX-AHWVRZQESA-N 1 1 507.675 5.384 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000036303231 554213235 /nfs/dbraw/zinc/21/32/35/554213235.db2.gz GNYFCRAJPJPWES-HHHXNRCGSA-N 1 1 515.629 5.908 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000036303231 554213236 /nfs/dbraw/zinc/21/32/36/554213236.db2.gz GNYFCRAJPJPWES-HHHXNRCGSA-N 1 1 515.629 5.908 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CCOC)C[C@@H](O)Cc1ccccc1 ZINC000036303197 554213239 /nfs/dbraw/zinc/21/32/39/554213239.db2.gz JCHDVOGZGFUMRK-SANMLTNESA-N 1 1 503.618 5.418 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CCOC)C[C@@H](O)Cc1ccccc1 ZINC000036303197 554213241 /nfs/dbraw/zinc/21/32/41/554213241.db2.gz JCHDVOGZGFUMRK-SANMLTNESA-N 1 1 503.618 5.418 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)COC(C)(C)C ZINC000036304972 554214843 /nfs/dbraw/zinc/21/48/43/554214843.db2.gz ISGQHFPSGRKVEV-NRFANRHFSA-N 1 1 502.055 5.157 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)Cc1ccccc1 ZINC000036304955 554214956 /nfs/dbraw/zinc/21/49/56/554214956.db2.gz AAYOBHHMPARSLG-XMMPIXPASA-N 1 1 506.046 5.585 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)COC(C)(C)C)c1Oc1ccc(F)cc1 ZINC000036307511 554216240 /nfs/dbraw/zinc/21/62/40/554216240.db2.gz GQDUNIHBCNQLFD-HSZRJFAPSA-N 1 1 507.606 5.790 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)COC(C)(C)C)c1Oc1ccc(F)cc1 ZINC000036307511 554216245 /nfs/dbraw/zinc/21/62/45/554216245.db2.gz GQDUNIHBCNQLFD-HSZRJFAPSA-N 1 1 507.606 5.790 50 0 KKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307495 554216267 /nfs/dbraw/zinc/21/62/67/554216267.db2.gz GLDIDBNLQLOUKO-XMMPIXPASA-N 1 1 507.606 5.647 50 0 KKAAMO CC(C)COC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307495 554216271 /nfs/dbraw/zinc/21/62/71/554216271.db2.gz GLDIDBNLQLOUKO-XMMPIXPASA-N 1 1 507.606 5.647 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)COCc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307274 554216419 /nfs/dbraw/zinc/21/64/19/554216419.db2.gz IXQVZYSKMBTJRB-HHHXNRCGSA-N 1 1 515.629 5.808 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)c1Oc1ccccc1 ZINC000036308122 554216713 /nfs/dbraw/zinc/21/67/13/554216713.db2.gz TWGCTVNHSHIXGT-DEOSSOPVSA-N 1 1 513.594 5.645 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)c1Oc1ccccc1 ZINC000036308122 554216708 /nfs/dbraw/zinc/21/67/08/554216708.db2.gz TWGCTVNHSHIXGT-DEOSSOPVSA-N 1 1 513.594 5.645 50 0 KKAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308181 554216845 /nfs/dbraw/zinc/21/68/45/554216845.db2.gz DYWSZASYGXGSNS-HSZRJFAPSA-N 1 1 503.599 5.179 50 0 KKAAMO CCCC(=O)OC[C@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1 ZINC000036308181 554216849 /nfs/dbraw/zinc/21/68/49/554216849.db2.gz DYWSZASYGXGSNS-HSZRJFAPSA-N 1 1 503.599 5.179 50 0 KKAAMO COc1ccc(OC)c([C@H]2CC(c3ccccc3OC)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036344394 554223100 /nfs/dbraw/zinc/22/31/00/554223100.db2.gz BHAPFWKASLYUIO-GDLZYMKVSA-N 1 1 527.665 5.345 50 0 KKAAMO COc1cccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3Cl)CC2)c1 ZINC000036628405 554228968 /nfs/dbraw/zinc/22/89/68/554228968.db2.gz YTUYPIYFZGYLNY-UHFFFAOYSA-N 1 1 524.024 5.712 50 0 KKAAMO Cc1nn(-c2ccc(F)cc2)c2nc(Cc3ccccc3)nc(N3CCC[N@@H+](Cc4cccs4)CC3)c12 ZINC000037379564 554236710 /nfs/dbraw/zinc/23/67/10/554236710.db2.gz BEVQDDBYLZCEML-UHFFFAOYSA-N 1 1 512.658 5.628 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037523713 554250175 /nfs/dbraw/zinc/25/01/75/554250175.db2.gz GSVGNCIRFXJYSG-RBJSKKJNSA-N 1 1 530.581 6.998 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000037524008 554250208 /nfs/dbraw/zinc/25/02/08/554250208.db2.gz VARBROKZCAHOAP-GGXMVOPNSA-N 1 1 526.618 7.167 50 0 KKAAMO Cc1ccc(-n2ncc(C(=O)NC[C@@H]3CC[N@H+](C4CCCC4)C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000038139257 554259950 /nfs/dbraw/zinc/25/99/50/554259950.db2.gz MEEIABGKRQRIOA-DEOSSOPVSA-N 1 1 549.760 5.598 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000038150040 554271263 /nfs/dbraw/zinc/27/12/63/554271263.db2.gz DAHYKHKOXKQRNL-JTHIVGNPSA-N 1 1 536.097 5.271 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)N(C)CC3 ZINC000040163546 554282789 /nfs/dbraw/zinc/28/27/89/554282789.db2.gz FUZMQNZACIFDBL-XZWHSSHBSA-N 1 1 652.788 7.171 50 0 biogenic,in-vitro KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000042850970 554296784 /nfs/dbraw/zinc/29/67/84/554296784.db2.gz HGNHIFJNOKGSKI-VMPREFPWSA-N 1 1 608.735 6.859 50 0 endogenous,in-man KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000042850970 554296777 /nfs/dbraw/zinc/29/67/77/554296777.db2.gz HGNHIFJNOKGSKI-VMPREFPWSA-N 1 1 608.735 6.859 50 0 endogenous,in-man KKAAMO Cc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3Cl)CC2)cc1 ZINC000046853935 554320896 /nfs/dbraw/zinc/32/08/96/554320896.db2.gz AHBSMEMGXQYOHR-UHFFFAOYSA-N 1 1 538.051 5.777 50 0 KKAAMO Cc1cccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3Cl)CC2)c1 ZINC000046853939 554320911 /nfs/dbraw/zinc/32/09/11/554320911.db2.gz KRDBRLMUJZZTOM-UHFFFAOYSA-N 1 1 538.051 5.777 50 0 KKAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(Cl)c1 ZINC000052595966 554329770 /nfs/dbraw/zinc/32/97/70/554329770.db2.gz QYTDELRIMFHZQO-DHLKQENFSA-N 1 1 509.050 5.450 50 0 KKAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(Cl)c1 ZINC000052595966 554329768 /nfs/dbraw/zinc/32/97/68/554329768.db2.gz QYTDELRIMFHZQO-DHLKQENFSA-N 1 1 509.050 5.450 50 0 KKAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1cc(Sc2cccc(Cl)c2)nc2ccccc21 ZINC000053367380 554347644 /nfs/dbraw/zinc/34/76/44/554347644.db2.gz HYVMWJQHINPGEE-UHFFFAOYSA-N 1 1 537.516 6.245 50 0 KKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000053371695 554347864 /nfs/dbraw/zinc/34/78/64/554347864.db2.gz LCJJPEZRVRBAPR-QNGWXLTQSA-N 1 1 538.113 5.519 50 0 KKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000053371691 554347875 /nfs/dbraw/zinc/34/78/75/554347875.db2.gz LCJJPEZRVRBAPR-DIPNUNPCSA-N 1 1 538.113 5.519 50 0 KKAAMO Cc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1C ZINC000059646105 554417162 /nfs/dbraw/zinc/41/71/62/554417162.db2.gz GTGUDGFVSFIBTA-UHFFFAOYSA-N 1 1 553.728 5.433 50 0 KKAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccc(Cl)c(C(F)(F)F)c2)cc1 ZINC000059651693 554418824 /nfs/dbraw/zinc/41/88/24/554418824.db2.gz YZBMTMJFBMHCAL-UHFFFAOYSA-N 1 1 566.045 5.207 50 0 KKAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059932650 554481792 /nfs/dbraw/zinc/48/17/92/554481792.db2.gz YOTKJXYNGWBHAW-RHDHJKTESA-N 1 1 527.624 5.471 50 0 KKAAMO CCc1ccc(Sc2cc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)cc1 ZINC000063721470 554510444 /nfs/dbraw/zinc/51/04/44/554510444.db2.gz WMSOBJVKROBRMD-UHFFFAOYSA-N 1 1 531.125 6.154 50 0 KKAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCc2ccccc2C1 ZINC000100890305 554511611 /nfs/dbraw/zinc/51/16/11/554511611.db2.gz JEFQYKRYONJLAD-BHDXBOSCSA-N 1 1 575.172 5.857 50 0 KKAAMO O=C(CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)N1CCc2ccccc2C1 ZINC000100890305 554511616 /nfs/dbraw/zinc/51/16/16/554511616.db2.gz JEFQYKRYONJLAD-BHDXBOSCSA-N 1 1 575.172 5.857 50 0 KKAAMO COc1ccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100975243 554546788 /nfs/dbraw/zinc/54/67/88/554546788.db2.gz PGAMAJHGBBLEKD-LQSCNRDHSA-N 1 1 546.523 7.743 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000100976809 554547029 /nfs/dbraw/zinc/54/70/29/554547029.db2.gz JYAMMINFLKKSNR-XOFDCVHHSA-N 1 1 541.623 6.477 50 0 KKAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000101098046 554585123 /nfs/dbraw/zinc/58/51/23/554585123.db2.gz UWNPSUUQEKKVKV-QYOOZWMWSA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)c(C)c1 ZINC000101098046 554585125 /nfs/dbraw/zinc/58/51/25/554585125.db2.gz UWNPSUUQEKKVKV-QYOOZWMWSA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098460 554585525 /nfs/dbraw/zinc/58/55/25/554585525.db2.gz CIHIKSQWZCLWSS-KDYSTLNUSA-N 1 1 566.565 5.530 50 0 KKAAMO COc1ccc(-n2nc(-c3cccs3)cc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000101110009 554641364 /nfs/dbraw/zinc/64/13/64/554641364.db2.gz HXNUQSKJFRIZAV-UHFFFAOYSA-N 1 1 534.685 6.157 50 0 KKAAMO O=C(COc1ccccc1F)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000101215542 554681472 /nfs/dbraw/zinc/68/14/72/554681472.db2.gz JKRHLNVUZJKIGF-UHFFFAOYSA-N 1 1 542.014 5.608 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)/C=C/c3cccc(OC)c3)CC2)cc1 ZINC000101215802 554682012 /nfs/dbraw/zinc/68/20/12/554682012.db2.gz VOOLVWPZTLDYAE-LFIBNONCSA-N 1 1 545.643 5.467 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101327348 554729514 /nfs/dbraw/zinc/72/95/14/554729514.db2.gz MUIXRILZWOVHPQ-WJOKGBTCSA-N 1 1 559.757 5.080 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101327348 554729515 /nfs/dbraw/zinc/72/95/15/554729515.db2.gz MUIXRILZWOVHPQ-WJOKGBTCSA-N 1 1 559.757 5.080 50 0 KKAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101341483 554735722 /nfs/dbraw/zinc/73/57/22/554735722.db2.gz JSKRKRYCNHXIAO-SANMLTNESA-N 1 1 582.550 5.065 50 0 KKAAMO C[N@@H+](CCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1)Cc1ccccc1 ZINC000101372849 554745061 /nfs/dbraw/zinc/74/50/61/554745061.db2.gz JDLPGVVICPZDDJ-YQYKVWLJSA-N 1 1 551.687 6.368 50 0 KKAAMO COc1ccc(CCN(C)c2cc(C(C)(C)C)nc(SCc3cccc(C(=O)N4CC[NH+](C)CC4)c3)n2)cc1OC ZINC000101423470 554767757 /nfs/dbraw/zinc/76/77/57/554767757.db2.gz ZZVLIVDJYSHKGI-UHFFFAOYSA-N 1 1 577.795 5.150 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000101425026 554768277 /nfs/dbraw/zinc/76/82/77/554768277.db2.gz FFDHLVSSDOPFFZ-UHFFFAOYSA-N 1 1 533.632 5.537 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1)Cc1ccccc1 ZINC000101506733 554790678 /nfs/dbraw/zinc/79/06/78/554790678.db2.gz MHQHSNJIXDQJHD-AVLPFNLUSA-N 1 1 617.859 8.406 50 0 KKAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000101602285 554804319 /nfs/dbraw/zinc/80/43/19/554804319.db2.gz WRMFJFZIIJJBEM-IDCDSMMUSA-N 1 1 578.978 5.049 50 0 KKAAMO C[N@@H+](Cc1cccs1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CC=C(c2ccccc2)CC1 ZINC000101602819 554804527 /nfs/dbraw/zinc/80/45/27/554804527.db2.gz BRBBZXARKQYRNO-UHFFFAOYSA-N 1 1 552.696 6.471 50 0 KKAAMO COc1ccc(-n2cc(C(=O)NCCC[N@@H+](Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3c2=O)cc1 ZINC000101616996 554806153 /nfs/dbraw/zinc/80/61/53/554806153.db2.gz HWHJDXUHNMMLSZ-OVMXQCPESA-N 1 1 541.692 6.039 50 0 KKAAMO Cc1ccccc1NC(=O)CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101891062 554846496 /nfs/dbraw/zinc/84/64/96/554846496.db2.gz KTSPRCKTMNAAHN-FREGXXQWSA-N 1 1 565.684 5.840 50 0 KKAAMO Cc1ccccc1NC(=O)CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000101891062 554846498 /nfs/dbraw/zinc/84/64/98/554846498.db2.gz KTSPRCKTMNAAHN-FREGXXQWSA-N 1 1 565.684 5.840 50 0 KKAAMO COc1cc(C(=O)Oc2cccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](Cc3ccccc3)C5)c2)cc(OC)c1OC ZINC000101975851 554862845 /nfs/dbraw/zinc/86/28/45/554862845.db2.gz ACODIZANSZZNSO-GDLZYMKVSA-N 1 1 585.682 5.980 50 0 KKAAMO COc1cc(C(=O)Oc2cccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](Cc3ccccc3)C5)c2)cc(OC)c1OC ZINC000101975851 554862847 /nfs/dbraw/zinc/86/28/47/554862847.db2.gz ACODIZANSZZNSO-GDLZYMKVSA-N 1 1 585.682 5.980 50 0 KKAAMO CC(C)c1ccc(C[N@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)cc1 ZINC000102016376 554867186 /nfs/dbraw/zinc/86/71/86/554867186.db2.gz SQCFJDWMTHFNNC-RNAHPLFWSA-N 1 1 557.739 5.909 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084834 554876301 /nfs/dbraw/zinc/87/63/01/554876301.db2.gz APQBNYBVYZOZNO-MHZLTWQESA-N 1 1 560.075 6.617 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084834 554876302 /nfs/dbraw/zinc/87/63/02/554876302.db2.gz APQBNYBVYZOZNO-MHZLTWQESA-N 1 1 560.075 6.617 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102099004 554880771 /nfs/dbraw/zinc/88/07/71/554880771.db2.gz QDWKNZACXBCBPP-LBNVMWSVSA-N 1 1 562.598 7.738 50 0 KKAAMO COc1ccc(S[C@H]2C[C@@H](C(=O)N3CC[NH+](C4C5CC6CC(C5)CC4C6)CC3)N(Cc3ccc4ccccc4c3)C2)cc1 ZINC000102123776 554884381 /nfs/dbraw/zinc/88/43/81/554884381.db2.gz VMCAVGZEJDNWLP-HIDUATBNSA-N 1 1 595.853 6.553 50 0 KKAAMO C[N@@H+](Cc1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102265535 554905413 /nfs/dbraw/zinc/90/54/13/554905413.db2.gz MWABQJGXMAULNC-UHFFFAOYSA-N 1 1 533.594 6.569 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)N[C@H](C)CCc3ccccc3)nc3sc4c(c3c2=O)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000102290562 554907574 /nfs/dbraw/zinc/90/75/74/554907574.db2.gz RLVGFVGOPQJRGO-RUZDIDTESA-N 1 1 608.833 6.544 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)N[C@H](C)CCc3ccccc3)nc3sc4c(c3c2=O)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000102290562 554907576 /nfs/dbraw/zinc/90/75/76/554907576.db2.gz RLVGFVGOPQJRGO-RUZDIDTESA-N 1 1 608.833 6.544 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)Nc2cccc(C)c2)CC1 ZINC000102309479 554909702 /nfs/dbraw/zinc/90/97/02/554909702.db2.gz GIHPBXQNSGSWCK-MFMCTBQISA-N 1 1 526.725 5.435 50 0 KKAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)Nc2cccc(C)c2)CC1 ZINC000102309479 554909704 /nfs/dbraw/zinc/90/97/04/554909704.db2.gz GIHPBXQNSGSWCK-MFMCTBQISA-N 1 1 526.725 5.435 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)c(Cl)c2)CC[N@H+](C)C4)cc1 ZINC000102499503 554941887 /nfs/dbraw/zinc/94/18/87/554941887.db2.gz XJKQXWHUHXLLAT-AREMUKBSSA-N 1 1 537.060 6.465 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)c(Cl)c2)CC[N@@H+](C)C4)cc1 ZINC000102499503 554941888 /nfs/dbraw/zinc/94/18/88/554941888.db2.gz XJKQXWHUHXLLAT-AREMUKBSSA-N 1 1 537.060 6.465 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)cc2OC)CC[N@H+](C)C4)cc1 ZINC000102499587 554942252 /nfs/dbraw/zinc/94/22/52/554942252.db2.gz XVWPMRSVFZGLCA-NDEPHWFRSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)cc2OC)CC[N@@H+](C)C4)cc1 ZINC000102499587 554942255 /nfs/dbraw/zinc/94/22/55/554942255.db2.gz XVWPMRSVFZGLCA-NDEPHWFRSA-N 1 1 544.677 5.690 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000102499984 554942523 /nfs/dbraw/zinc/94/25/23/554942523.db2.gz ZJAZUQJIJNLEBQ-VWLOTQADSA-N 1 1 540.586 6.822 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000102499984 554942525 /nfs/dbraw/zinc/94/25/25/554942525.db2.gz ZJAZUQJIJNLEBQ-VWLOTQADSA-N 1 1 540.586 6.822 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499863 554942579 /nfs/dbraw/zinc/94/25/79/554942579.db2.gz QTDFGVIWYKQRRI-RUZDIDTESA-N 1 1 525.024 6.595 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2F)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499863 554942582 /nfs/dbraw/zinc/94/25/82/554942582.db2.gz QTDFGVIWYKQRRI-RUZDIDTESA-N 1 1 525.024 6.595 50 0 KKAAMO COC(=O)c1sccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000102500057 554942897 /nfs/dbraw/zinc/94/28/97/554942897.db2.gz XKRXPMCLZVQJFX-HSZRJFAPSA-N 1 1 536.654 5.651 50 0 KKAAMO COC(=O)c1sccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000102500057 554942898 /nfs/dbraw/zinc/94/28/98/554942898.db2.gz XKRXPMCLZVQJFX-HSZRJFAPSA-N 1 1 536.654 5.651 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)c1Oc1ccc(F)cc1 ZINC000102620158 554986589 /nfs/dbraw/zinc/98/65/89/554986589.db2.gz KEWSRBYDBZEMBX-HHHXNRCGSA-N 1 1 541.623 6.191 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)c1Oc1ccc(F)cc1 ZINC000102620158 554986590 /nfs/dbraw/zinc/98/65/90/554986590.db2.gz KEWSRBYDBZEMBX-HHHXNRCGSA-N 1 1 541.623 6.191 50 0 KKAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+](Cc3ccc4ccccc4c3)C2)cc1OC ZINC000102662066 555000955 /nfs/dbraw/zinc/00/09/55/555000955.db2.gz TXFHIUJOYSRHMS-RRPNLBNLSA-N 1 1 555.650 5.389 50 0 KKAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3cncc4ccccc43)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000102703428 555013719 /nfs/dbraw/zinc/01/37/19/555013719.db2.gz HVAAYMKUDJGHCD-FTJBHMTQSA-N 1 1 540.572 5.097 50 0 KKAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3cncc4ccccc43)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000102703428 555013721 /nfs/dbraw/zinc/01/37/21/555013721.db2.gz HVAAYMKUDJGHCD-FTJBHMTQSA-N 1 1 540.572 5.097 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@H+](Cc3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000102705693 555014585 /nfs/dbraw/zinc/01/45/85/555014585.db2.gz OIZSEANBIMMQIN-RPBOFIJWSA-N 1 1 556.610 5.293 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C2)cc1 ZINC000102705693 555014587 /nfs/dbraw/zinc/01/45/87/555014587.db2.gz OIZSEANBIMMQIN-RPBOFIJWSA-N 1 1 556.610 5.293 50 0 KKAAMO CCOc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc3N(C)C2=O)cc1OC ZINC000102748034 555042140 /nfs/dbraw/zinc/04/21/40/555042140.db2.gz JNVLDPFCQWJRQK-NJZRLIGZSA-N 1 1 604.748 5.285 50 0 KKAAMO CCCN(CCC)C(=O)CSc1nc2ccccc2c(=O)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000102754768 555046670 /nfs/dbraw/zinc/04/66/70/555046670.db2.gz BBYPDDOSBWPOOI-UHFFFAOYSA-N 1 1 556.176 5.003 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000102766483 555055210 /nfs/dbraw/zinc/05/52/10/555055210.db2.gz QSTLRSQVVHLQCH-USHMODERSA-N 1 1 567.677 6.602 50 0 KKAAMO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3CCC[C@H](C)C3)C2=O)cc1Br ZINC000102768351 555056128 /nfs/dbraw/zinc/05/61/28/555056128.db2.gz ZHXXYVQRUSTDBY-PTFSYIGCSA-N 1 1 558.542 5.176 50 0 KKAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102772210 555061172 /nfs/dbraw/zinc/06/11/72/555061172.db2.gz LMNHSJQJTVBJIC-MKXVLRRNSA-N 1 1 513.597 5.163 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102773540 555062271 /nfs/dbraw/zinc/06/22/71/555062271.db2.gz PAJPQNKUPHTWLL-WFYOHKHESA-N 1 1 558.122 6.691 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21 ZINC000102775039 555062725 /nfs/dbraw/zinc/06/27/25/555062725.db2.gz ZDOBPVLKWVHRGQ-RYEBZEHMSA-N 1 1 542.543 5.700 50 0 KKAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccccc2Cl)S3)C1 ZINC000102778311 555064361 /nfs/dbraw/zinc/06/43/61/555064361.db2.gz BNLCJXLASIINLB-XIVOGXDVSA-N 1 1 532.109 6.263 50 0 KKAAMO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccco1 ZINC000102782727 555066636 /nfs/dbraw/zinc/06/66/36/555066636.db2.gz YBPSSSJRNIRXOV-DEOSSOPVSA-N 1 1 551.615 5.229 50 0 KKAAMO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@H](O)COCc1ccco1 ZINC000102782727 555066637 /nfs/dbraw/zinc/06/66/37/555066637.db2.gz YBPSSSJRNIRXOV-DEOSSOPVSA-N 1 1 551.615 5.229 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000102784689 555067285 /nfs/dbraw/zinc/06/72/85/555067285.db2.gz TWKWAZIBGSDRHU-NRFANRHFSA-N 1 1 534.125 6.646 50 0 KKAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000102785091 555067482 /nfs/dbraw/zinc/06/74/82/555067482.db2.gz VYMWKYUAUSBMQB-RBJSKKJNSA-N 1 1 544.692 5.035 50 0 KKAAMO COc1ccccc1OC[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)n1 ZINC000102830647 555078491 /nfs/dbraw/zinc/07/84/91/555078491.db2.gz ONWACBKYUJHOEG-XMMPIXPASA-N 1 1 540.607 7.428 50 0 KKAAMO COc1ccccc1OC[C@H]1CCC[N@H+]1Cc1csc(-c2cccc(-c3cccc(OC(F)(F)F)c3)c2)n1 ZINC000102830647 555078494 /nfs/dbraw/zinc/07/84/94/555078494.db2.gz ONWACBKYUJHOEG-XMMPIXPASA-N 1 1 540.607 7.428 50 0 KKAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102841021 555081836 /nfs/dbraw/zinc/08/18/36/555081836.db2.gz DHXNVIYBXYYAHG-AREMUKBSSA-N 1 1 528.505 5.377 50 0 KKAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102841021 555081837 /nfs/dbraw/zinc/08/18/37/555081837.db2.gz DHXNVIYBXYYAHG-AREMUKBSSA-N 1 1 528.505 5.377 50 0 KKAAMO CN(c1ccccc1Cl)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000103035386 555222635 /nfs/dbraw/zinc/22/26/35/555222635.db2.gz YVLFDDDJHSCZCI-UHFFFAOYSA-N 1 1 594.564 6.366 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COCc1ccccc1 ZINC000103050376 555232777 /nfs/dbraw/zinc/23/27/77/555232777.db2.gz UTPIQTYFRDVFDJ-RUZDIDTESA-N 1 1 536.072 5.559 50 0 KKAAMO O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000103052090 555234120 /nfs/dbraw/zinc/23/41/20/555234120.db2.gz CAUVRAMUISFTTM-JYFHCDHNSA-N 1 1 531.981 5.677 50 0 KKAAMO Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)[C@@H](c3ccccc3)[N@@H+](Cc3ccccc3F)CC4)o2)cc1 ZINC000103061387 555242616 /nfs/dbraw/zinc/24/26/16/555242616.db2.gz JLWDTTCLDDTIME-UUWRZZSWSA-N 1 1 546.642 7.706 50 0 KKAAMO Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)[C@@H](c3ccccc3)[N@H+](Cc3ccccc3F)CC4)o2)cc1 ZINC000103061387 555242618 /nfs/dbraw/zinc/24/26/18/555242618.db2.gz JLWDTTCLDDTIME-UUWRZZSWSA-N 1 1 546.642 7.706 50 0 KKAAMO Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)[C@H](c3ccccc3)[N@@H+](Cc3ccccc3F)CC4)o2)cc1 ZINC000103061385 555242672 /nfs/dbraw/zinc/24/26/72/555242672.db2.gz JLWDTTCLDDTIME-UMSFTDKQSA-N 1 1 546.642 7.706 50 0 KKAAMO Cc1ccc(NC(=O)c2ccc(COc3ccc4c(c3)[C@H](c3ccccc3)[N@H+](Cc3ccccc3F)CC4)o2)cc1 ZINC000103061385 555242674 /nfs/dbraw/zinc/24/26/74/555242674.db2.gz JLWDTTCLDDTIME-UMSFTDKQSA-N 1 1 546.642 7.706 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000103064956 555245403 /nfs/dbraw/zinc/24/54/03/555245403.db2.gz VCQKEMVKMAUUQW-HKBQPEDESA-N 1 1 604.235 7.232 50 0 KKAAMO O=C(C[N@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000103086317 555264960 /nfs/dbraw/zinc/26/49/60/555264960.db2.gz JHPOOURWCZWMRM-UHFFFAOYSA-N 1 1 575.367 8.017 50 0 KKAAMO O=C(C[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000103086317 555264963 /nfs/dbraw/zinc/26/49/63/555264963.db2.gz JHPOOURWCZWMRM-UHFFFAOYSA-N 1 1 575.367 8.017 50 0 KKAAMO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(OCc2ccccc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000103136480 555306507 /nfs/dbraw/zinc/30/65/07/555306507.db2.gz NNFGBHNGBPFEAS-KDXMTYKHSA-N 1 1 619.809 8.135 50 0 KKAAMO CCCN(Cc1cccn1Cc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)o1)C(=O)c1ccccc1 ZINC000103192674 555333822 /nfs/dbraw/zinc/33/38/22/555333822.db2.gz HSOJVESVPPCCDD-UHFFFAOYSA-N 1 1 600.763 6.729 50 0 KKAAMO CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)C(=O)C[C@H]1c1cccc(C)c1 ZINC000103249869 555344160 /nfs/dbraw/zinc/34/41/60/555344160.db2.gz FGXXAXHBBFUBGY-HKBQPEDESA-N 1 1 565.714 5.306 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2cc(OC)cc(OC)c2)CC1 ZINC000103267351 555347651 /nfs/dbraw/zinc/34/76/51/555347651.db2.gz HJRRTSKJQFXYEE-SSEXGKCCSA-N 1 1 541.692 5.402 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](CCN3CCOCC3)Cc3ccc(C)cc3)o2)c2ccc(OC)cc2)cc1 ZINC000103316402 555358363 /nfs/dbraw/zinc/35/83/63/555358363.db2.gz VICGSVYVHCRNSA-UHFFFAOYSA-N 1 1 556.703 5.224 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@@H+](CCN3CCOCC3)Cc3ccc(C)cc3)o2)c2ccc(OC)cc2)cc1 ZINC000103316402 555358366 /nfs/dbraw/zinc/35/83/66/555358366.db2.gz VICGSVYVHCRNSA-UHFFFAOYSA-N 1 1 556.703 5.224 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000103324857 555359051 /nfs/dbraw/zinc/35/90/51/555359051.db2.gz BKYXYVIMEMFLPF-NDEPHWFRSA-N 1 1 541.692 6.025 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccc5c(c4)CCC5)cnn(-c4cccc(Cl)c4)c3=O)c2)CC1 ZINC000103324060 555359063 /nfs/dbraw/zinc/35/90/63/555359063.db2.gz WCVQBIMYOQXBEV-UHFFFAOYSA-N 1 1 570.093 5.688 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000103324862 555359070 /nfs/dbraw/zinc/35/90/70/555359070.db2.gz BKYXYVIMEMFLPF-MUUNZHRXSA-N 1 1 541.692 6.025 50 0 KKAAMO CC(C)c1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103363061 555365305 /nfs/dbraw/zinc/36/53/05/555365305.db2.gz FCXWUYCGGPJHNB-RCRUUEGKSA-N 1 1 548.728 6.113 50 0 KKAAMO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000103405415 555391700 /nfs/dbraw/zinc/39/17/00/555391700.db2.gz SAVSFDPMZIGHSU-XCZPVHLTSA-N 1 1 515.455 5.105 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccccc23)c2cccc(OCc3ccccc3)c2)CC1 ZINC000103421714 555402771 /nfs/dbraw/zinc/40/27/71/555402771.db2.gz RWGIZTNRWUGAPQ-UMSFTDKQSA-N 1 1 557.738 6.955 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000169301202 562852892 /nfs/dbraw/zinc/85/28/92/562852892.db2.gz SKRXFKGFKFOOKW-ZHQHWHAXSA-N 1 1 547.696 5.537 50 0 KKAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000252383349 562881718 /nfs/dbraw/zinc/88/17/18/562881718.db2.gz LMNHSJQJTVBJIC-ZLROPWDRSA-N 1 1 513.597 5.163 50 0 KKAAMO COc1ccc(C(O)=C2[C@@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101001908 571361213 /nfs/dbraw/zinc/36/12/13/571361213.db2.gz OTNBBUSVSKOYAD-CKHSQSCFSA-N 1 1 506.602 5.409 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288059 571361567 /nfs/dbraw/zinc/36/15/67/571361567.db2.gz HMSACZQRUSJPKE-JWXXLELASA-N 1 1 598.655 6.186 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)c1ccc(C(C)C)cc1)[C@@H](c1ccco1)C[N@@H+]2C ZINC000103888725 571368749 /nfs/dbraw/zinc/36/87/49/571368749.db2.gz VFYDLZMBKCOEOJ-CHWDOVFKSA-N 1 1 518.657 6.682 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)c1ccc(C(C)C)cc1)[C@@H](c1ccco1)C[N@H+]2C ZINC000103888725 571368750 /nfs/dbraw/zinc/36/87/50/571368750.db2.gz VFYDLZMBKCOEOJ-CHWDOVFKSA-N 1 1 518.657 6.682 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@@H]2c2ccc(OC(F)F)cc2)/C(=C/c2ccc(OC(F)F)cc2)C1 ZINC000104005530 571371040 /nfs/dbraw/zinc/37/10/40/571371040.db2.gz MBERVRUVKNXIOP-GHMVGRGESA-N 1 1 614.064 8.284 50 0 KKAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)C[C@H]2C)c1 ZINC000104147453 571375261 /nfs/dbraw/zinc/37/52/61/571375261.db2.gz DQWOZLGJVALEIT-NSQROVRMSA-N 1 1 558.792 5.710 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104920029 571387752 /nfs/dbraw/zinc/38/77/52/571387752.db2.gz CHRHPKPBYVNEJL-BKMJKUGQSA-N 1 1 515.526 5.528 50 0 KKAAMO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104919814 571387781 /nfs/dbraw/zinc/38/77/81/571387781.db2.gz FQTVRXMMHLCPII-XNMGPUDCSA-N 1 1 511.563 5.067 50 0 KKAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983331 571388677 /nfs/dbraw/zinc/38/86/77/571388677.db2.gz KBGXHVTYYITOHD-UKILVPOCSA-N 1 1 502.508 5.280 50 0 KKAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983331 571388679 /nfs/dbraw/zinc/38/86/79/571388679.db2.gz KBGXHVTYYITOHD-UKILVPOCSA-N 1 1 502.508 5.280 50 0 KKAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984924 571388701 /nfs/dbraw/zinc/38/87/01/571388701.db2.gz UNHRXELDSPPWLW-IFMALSPDSA-N 1 1 523.844 5.813 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000105001411 571388907 /nfs/dbraw/zinc/38/89/07/571388907.db2.gz SEKVNHIOSTWNSO-YTMVLYRLSA-N 1 1 511.666 5.812 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000105001411 571388909 /nfs/dbraw/zinc/38/89/09/571388909.db2.gz SEKVNHIOSTWNSO-YTMVLYRLSA-N 1 1 511.666 5.812 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000105003108 571388931 /nfs/dbraw/zinc/38/89/31/571388931.db2.gz VNPGJEJJZUPQCE-RPWUZVMVSA-N 1 1 529.628 5.408 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000105003108 571388933 /nfs/dbraw/zinc/38/89/33/571388933.db2.gz VNPGJEJJZUPQCE-RPWUZVMVSA-N 1 1 529.628 5.408 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000105003662 571389078 /nfs/dbraw/zinc/38/90/78/571389078.db2.gz HTKFHQOSJUXRMI-JYFHCDHNSA-N 1 1 523.674 5.045 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000105046924 571390355 /nfs/dbraw/zinc/39/03/55/571390355.db2.gz GDURILCLJKJVSR-WXFUMESZSA-N 1 1 501.042 5.195 50 0 KKAAMO CC(C)N(C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000105042770 571390377 /nfs/dbraw/zinc/39/03/77/571390377.db2.gz DPQWSEXWSCVMDM-PIZZNKLWSA-N 1 1 524.627 5.875 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)cc1 ZINC000105042578 571390380 /nfs/dbraw/zinc/39/03/80/571390380.db2.gz DVJQUUTVKFKJNJ-YWEHKCAJSA-N 1 1 528.590 6.620 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cc(OC)cc(OC)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042281 571390399 /nfs/dbraw/zinc/39/03/99/571390399.db2.gz NEKMJQLHAZFCCA-RNAHPLFWSA-N 1 1 506.618 5.116 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000105061711 571390944 /nfs/dbraw/zinc/39/09/44/571390944.db2.gz ZRLFWKYXLLYDCH-KMRXNPHXSA-N 1 1 522.114 5.421 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000105061118 571390950 /nfs/dbraw/zinc/39/09/50/571390950.db2.gz KSJIYJMMQOSFBH-DWACAAAGSA-N 1 1 502.684 5.077 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000105061118 571390951 /nfs/dbraw/zinc/39/09/51/571390951.db2.gz KSJIYJMMQOSFBH-DWACAAAGSA-N 1 1 502.684 5.077 50 0 KKAAMO COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000105793120 571408767 /nfs/dbraw/zinc/40/87/67/571408767.db2.gz WMPQAORGZVONAJ-MPFGFTFXSA-N 1 1 590.518 5.741 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000147346685 571456715 /nfs/dbraw/zinc/45/67/15/571456715.db2.gz KZKYUIVPCVBNOY-HEVIKAOCSA-N 1 1 579.716 6.344 50 0 KKAAMO c1ccc2c(c1)N=C(N1CCN(CCOCCOCC[NH+]3CCN(C4=Nc5ccccc5Sc5ccccc54)CC3)CC1)c1ccccc1S2 ZINC000150342005 571458414 /nfs/dbraw/zinc/45/84/14/571458414.db2.gz YBVWRXGWAIZGDD-UHFFFAOYSA-N 1 1 704.966 6.741 50 0 KKAAMO O=C(CCNC(c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccc2[nH]cc(CC[NH2+]C(c3ccccc3)(c3ccccc3)c3ccccc3)c2c1 ZINC000150342586 571458781 /nfs/dbraw/zinc/45/87/81/571458781.db2.gz VGHUWPLFLVESCA-UHFFFAOYSA-N 1 1 731.940 10.169 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000150387749 571470238 /nfs/dbraw/zinc/47/02/38/571470238.db2.gz WBTQHJIORQNRNM-UHFFFAOYSA-N 1 1 647.172 5.414 50 0 KKAAMO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(C[NH+]4CCC(C)CC4)c3oc2C(F)(F)F)cc1 ZINC000150389070 571471482 /nfs/dbraw/zinc/47/14/82/571471482.db2.gz PDNGFCIEXPOYGE-UHFFFAOYSA-N 1 1 669.693 8.034 50 0 KKAAMO COc1c(I)cc(I)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000150397957 571477166 /nfs/dbraw/zinc/47/71/66/571477166.db2.gz DRFXUMNXYSTFAV-NRFANRHFSA-N 1 1 657.315 5.378 50 0 KKAAMO COc1c(I)cc(I)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000150397957 571477167 /nfs/dbraw/zinc/47/71/67/571477167.db2.gz DRFXUMNXYSTFAV-NRFANRHFSA-N 1 1 657.315 5.378 50 0 KKAAMO CCOC(=O)c1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414260 571484981 /nfs/dbraw/zinc/48/49/81/571484981.db2.gz WAOFNTRPZKUUCW-SSEXGKCCSA-N 1 1 648.229 5.056 50 0 KKAAMO O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Oc2ccccc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150438207 571496874 /nfs/dbraw/zinc/49/68/74/571496874.db2.gz QJIAIEWATRSJPB-QLKFWGTOSA-N 1 1 699.870 10.077 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000150440101 571497867 /nfs/dbraw/zinc/49/78/67/571497867.db2.gz FYRBHQLTLNODQL-UHFFFAOYSA-N 1 1 642.872 7.400 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000150440101 571497868 /nfs/dbraw/zinc/49/78/68/571497868.db2.gz FYRBHQLTLNODQL-UHFFFAOYSA-N 1 1 642.872 7.400 50 0 KKAAMO COc1ccc([C@H](C2C(=O)NC(=S)[C@H](c3ccccc3C)C2=O)C2C(=O)NC(=S)[C@@H](c3ccccc3C)C2=O)cc1C[NH+]1CCCCC1 ZINC000150452034 571503162 /nfs/dbraw/zinc/50/31/62/571503162.db2.gz LNWDOZXUBGBRET-BQRNWKATSA-N 1 1 681.880 7.310 50 0 KKAAMO CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)C(=O)C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000150464010 571507724 /nfs/dbraw/zinc/50/77/24/571507724.db2.gz QQTYJPNYUJBFCV-PGUFJCEWSA-N 1 1 695.782 7.606 50 0 KKAAMO COc1ccc(-c2cc3ccccc3n2C[C@H](O)C[NH+]2CCN(C[C@H](O)Cn3c(-c4ccc(OC)cc4)cc4ccccc43)CC2)cc1 ZINC000150479487 571511704 /nfs/dbraw/zinc/51/17/04/571511704.db2.gz JGRPNZJSUKYMOG-AQOUDTPCSA-N 1 1 644.816 5.987 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000150508105 571519303 /nfs/dbraw/zinc/51/93/03/571519303.db2.gz UBPJQRBGZMSVOG-UMSFTDKQSA-N 1 1 641.776 7.848 50 0 KKAAMO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000158988046 571529908 /nfs/dbraw/zinc/52/99/08/571529908.db2.gz NSLBTBGUFUPTCR-UIOOFZCWSA-N 1 1 759.370 7.774 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)cc1 ZINC000169678079 571555666 /nfs/dbraw/zinc/55/56/66/571555666.db2.gz GIALBAPEFMMVAR-CCLHPLFOSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)cc1 ZINC000169678079 571555669 /nfs/dbraw/zinc/55/56/69/571555669.db2.gz GIALBAPEFMMVAR-CCLHPLFOSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000169679814 571556452 /nfs/dbraw/zinc/55/64/52/571556452.db2.gz WMWYVHAYEHDZTQ-GGXMVOPNSA-N 1 1 526.618 7.167 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)cc1 ZINC000169680883 571557149 /nfs/dbraw/zinc/55/71/49/571557149.db2.gz CTPFBMUCGTVGCK-YUDQIZAISA-N 1 1 507.744 5.424 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)[C@@H](C)C2)cc1 ZINC000169680871 571557229 /nfs/dbraw/zinc/55/72/29/571557229.db2.gz HYQQXDRNDJVNFO-DCFHFQCYSA-N 1 1 556.654 5.788 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)[C@@H](C)C2)cc1 ZINC000169680871 571557230 /nfs/dbraw/zinc/55/72/30/571557230.db2.gz HYQQXDRNDJVNFO-DCFHFQCYSA-N 1 1 556.654 5.788 50 0 KKAAMO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613404 571561967 /nfs/dbraw/zinc/56/19/67/571561967.db2.gz XVXNJUKXGMYQSQ-DFHRPNOPSA-N 1 1 547.095 6.790 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccnc3)C[C@@H]2CCC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000299756378 572134656 /nfs/dbraw/zinc/13/46/56/572134656.db2.gz HEYCSPJMECKBOS-LMSSTIIKSA-N 1 1 595.710 5.218 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccnc3)C[C@@H]2CCC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000299756378 572134660 /nfs/dbraw/zinc/13/46/60/572134660.db2.gz HEYCSPJMECKBOS-LMSSTIIKSA-N 1 1 595.710 5.218 50 0 KKAAMO COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000227002372 572146659 /nfs/dbraw/zinc/14/66/59/572146659.db2.gz WMPQAORGZVONAJ-ZGIBFIJWSA-N 1 1 590.518 5.741 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000229639264 572158298 /nfs/dbraw/zinc/15/82/98/572158298.db2.gz FKAMQLIXAPDCRK-DIMQNKOASA-N 1 1 562.851 5.117 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000229639264 572158302 /nfs/dbraw/zinc/15/83/02/572158302.db2.gz FKAMQLIXAPDCRK-DIMQNKOASA-N 1 1 562.851 5.117 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000230002444 572177934 /nfs/dbraw/zinc/17/79/34/572177934.db2.gz KOWNEUAZNSISRI-WWYHPTGPSA-N 1 1 584.672 6.464 50 0 KKAAMO CCCC[N@@H+](CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077514 572182840 /nfs/dbraw/zinc/18/28/40/572182840.db2.gz WFEMJSZDVAMTCD-IZLXSDGUSA-N 1 1 519.711 5.983 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000230082836 572182978 /nfs/dbraw/zinc/18/29/78/572182978.db2.gz BYIPTNZYORIKKE-HHKOPIGSSA-N 1 1 539.075 7.027 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000230082836 572182980 /nfs/dbraw/zinc/18/29/80/572182980.db2.gz BYIPTNZYORIKKE-HHKOPIGSSA-N 1 1 539.075 7.027 50 0 KKAAMO Cc1ccsc1C[N@H+]1C[C@@H](CN(C(=O)c2ccc(F)cc2)C2CCCCC2)[C@H](c2ccccc2C)C1 ZINC000230155413 572184471 /nfs/dbraw/zinc/18/44/71/572184471.db2.gz BAKHWBNRVAEMGS-ABYGYWHVSA-N 1 1 504.715 7.195 50 0 KKAAMO COC(=O)c1ncn(Cc2ccc(Cl)cc2)c1C[NH+]1CCC(c2ccccc2)(c2ccccc2)CC1 ZINC000242687799 572199044 /nfs/dbraw/zinc/19/90/44/572199044.db2.gz UVZXSJSGHRCUOS-UHFFFAOYSA-N 1 1 500.042 5.954 50 0 KKAAMO COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000245238809 572212581 /nfs/dbraw/zinc/21/25/81/572212581.db2.gz BDKBPVWBEDYCAV-IXRJKUQISA-N 1 1 541.648 5.001 50 0 KKAAMO COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000245238809 572212585 /nfs/dbraw/zinc/21/25/85/572212585.db2.gz BDKBPVWBEDYCAV-IXRJKUQISA-N 1 1 541.648 5.001 50 0 KKAAMO Cc1cccc(NC(=O)[C@@H](C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000245280447 572224530 /nfs/dbraw/zinc/22/45/30/572224530.db2.gz QMTCUQUMPWAUCA-GGXMVOPNSA-N 1 1 502.611 5.099 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000245279945 572224754 /nfs/dbraw/zinc/22/47/54/572224754.db2.gz KOEYRDGQDCSGTH-LOSJGSFVSA-N 1 1 528.093 5.785 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000245279945 572224761 /nfs/dbraw/zinc/22/47/61/572224761.db2.gz KOEYRDGQDCSGTH-LOSJGSFVSA-N 1 1 528.093 5.785 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245281321 572225305 /nfs/dbraw/zinc/22/53/05/572225305.db2.gz XFOAKDYXTUUMFD-HOFKKMOUSA-N 1 1 515.595 6.197 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000245343378 572238560 /nfs/dbraw/zinc/23/85/60/572238560.db2.gz NDXPHCQJFPTDEB-QMFGGXMDSA-N 1 1 527.734 5.257 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247462780 572242366 /nfs/dbraw/zinc/24/23/66/572242366.db2.gz BMGAWNUFMFPYIP-UHFFFAOYSA-N 1 1 551.916 6.029 50 0 KKAAMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247467267 572242448 /nfs/dbraw/zinc/24/24/48/572242448.db2.gz DAYNJJASARIKBO-UHFFFAOYSA-N 1 1 541.852 6.431 50 0 KKAAMO O=C(NCCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247489001 572242457 /nfs/dbraw/zinc/24/24/57/572242457.db2.gz LSHYSZGKDSNJPX-QHCPKHFHSA-N 1 1 521.492 5.962 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247467797 572242516 /nfs/dbraw/zinc/24/25/16/572242516.db2.gz DCZVUUBAPVJPPK-QGZVFWFLSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247472922 572242616 /nfs/dbraw/zinc/24/26/16/572242616.db2.gz GDAKCMWTCXSNHM-UHFFFAOYSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(NCCc1ccccc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247512273 572242746 /nfs/dbraw/zinc/24/27/46/572242746.db2.gz UDWWBTPNLPMHPL-UHFFFAOYSA-N 1 1 517.471 5.359 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247500137 572242764 /nfs/dbraw/zinc/24/27/64/572242764.db2.gz POSAGYUZYVXGCO-LJQANCHMSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247500137 572242767 /nfs/dbraw/zinc/24/27/67/572242767.db2.gz POSAGYUZYVXGCO-LJQANCHMSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247516365 572242835 /nfs/dbraw/zinc/24/28/35/572242835.db2.gz VTTGDHBNFLRPNG-IBGZPJMESA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247516365 572242837 /nfs/dbraw/zinc/24/28/37/572242837.db2.gz VTTGDHBNFLRPNG-IBGZPJMESA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247522747 572242970 /nfs/dbraw/zinc/24/29/70/572242970.db2.gz YGJCOUPPKWBHFH-UHFFFAOYSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000247714351 572243495 /nfs/dbraw/zinc/24/34/95/572243495.db2.gz MEQREPYTSVSAKS-LWSSLDFYSA-N 1 1 537.925 5.513 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000247714351 572243497 /nfs/dbraw/zinc/24/34/97/572243497.db2.gz MEQREPYTSVSAKS-LWSSLDFYSA-N 1 1 537.925 5.513 50 0 KKAAMO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247723550 572243669 /nfs/dbraw/zinc/24/36/69/572243669.db2.gz CEANKYPLNLEGOL-UHFFFAOYSA-N 1 1 526.990 6.608 50 0 KKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247740881 572244140 /nfs/dbraw/zinc/24/41/40/572244140.db2.gz NTAHKXJNUHUBDJ-VWLOTQADSA-N 1 1 534.635 6.594 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247757104 572244657 /nfs/dbraw/zinc/24/46/57/572244657.db2.gz XXFCDDUBATWAEP-QGZVFWFLSA-N 1 1 525.397 5.917 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247757104 572244659 /nfs/dbraw/zinc/24/46/59/572244659.db2.gz XXFCDDUBATWAEP-QGZVFWFLSA-N 1 1 525.397 5.917 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247808932 572245225 /nfs/dbraw/zinc/24/52/25/572245225.db2.gz CZKBHQSMNLYCMY-UHFFFAOYSA-N 1 1 626.521 6.368 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247841017 572246111 /nfs/dbraw/zinc/24/61/11/572246111.db2.gz FLUYFQCDVMSAFA-HSZRJFAPSA-N 1 1 558.524 5.349 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(Cc2ccccc2)CC1 ZINC000247849120 572246215 /nfs/dbraw/zinc/24/62/15/572246215.db2.gz HYZCCWVRTTUGKL-UHFFFAOYSA-N 1 1 572.551 5.344 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5cc(C)ccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247864939 572246783 /nfs/dbraw/zinc/24/67/83/572246783.db2.gz IEMRVUHGKNSWMP-MUUNZHRXSA-N 1 1 551.735 5.271 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4ccccc4C(F)(F)F)CC3)nc3ccccc32)cc1 ZINC000247865222 572246877 /nfs/dbraw/zinc/24/68/77/572246877.db2.gz AOKMOEFEBNDOPC-UHFFFAOYSA-N 1 1 522.571 5.963 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000247868532 572247143 /nfs/dbraw/zinc/24/71/43/572247143.db2.gz PTIBIMXEMKNYEZ-QHCPKHFHSA-N 1 1 596.990 6.606 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247871476 572247171 /nfs/dbraw/zinc/24/71/71/572247171.db2.gz DNEXBIXDLRPVID-VWLOTQADSA-N 1 1 558.126 5.307 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247873210 572247451 /nfs/dbraw/zinc/24/74/51/572247451.db2.gz RUSNWBKXAORXGO-QFIPXVFZSA-N 1 1 576.514 5.488 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(OCc5ccccc5)cc4)C3)nc3ccccc32)cc1 ZINC000247875745 572247592 /nfs/dbraw/zinc/24/75/92/572247592.db2.gz GVJWDLSWQYZGAF-NDEPHWFRSA-N 1 1 560.698 6.523 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(OCc5ccccc5)cc4)C3)nc3ccccc32)cc1 ZINC000247875745 572247593 /nfs/dbraw/zinc/24/75/93/572247593.db2.gz GVJWDLSWQYZGAF-NDEPHWFRSA-N 1 1 560.698 6.523 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247877841 572247833 /nfs/dbraw/zinc/24/78/33/572247833.db2.gz UNRDEHMMAMIJOE-UHFFFAOYSA-N 1 1 627.414 6.656 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(c2ccccc2)CC1 ZINC000247878003 572247919 /nfs/dbraw/zinc/24/79/19/572247919.db2.gz UTHZTTBFMLZQAW-UHFFFAOYSA-N 1 1 558.524 5.349 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247881144 572247949 /nfs/dbraw/zinc/24/79/49/572247949.db2.gz VOISHMBYMGGCSQ-OAQYLSRUSA-N 1 1 627.414 6.656 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886284 572248369 /nfs/dbraw/zinc/24/83/69/572248369.db2.gz XEODKSKSGLSJND-QFIPXVFZSA-N 1 1 592.969 6.002 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)c(C)c1 ZINC000247885031 572248451 /nfs/dbraw/zinc/24/84/51/572248451.db2.gz SRYXXNYQYYGXKA-UHFFFAOYSA-N 1 1 525.672 5.342 50 0 KKAAMO COc1ccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1 ZINC000247920009 572249486 /nfs/dbraw/zinc/24/94/86/572249486.db2.gz XJRQSAVUGYAISL-UHFFFAOYSA-N 1 1 503.046 5.275 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4Cl)C3)nc3ccccc32)cc1 ZINC000247918289 572249640 /nfs/dbraw/zinc/24/96/40/572249640.db2.gz XCAHMORKDBSPQE-HXUWFJFHSA-N 1 1 523.464 6.251 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4cc(Cl)ccc4Cl)C3)nc3ccccc32)cc1 ZINC000247918289 572249641 /nfs/dbraw/zinc/24/96/41/572249641.db2.gz XCAHMORKDBSPQE-HXUWFJFHSA-N 1 1 523.464 6.251 50 0 KKAAMO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247939354 572249927 /nfs/dbraw/zinc/24/99/27/572249927.db2.gz OYDGXEWGGXGYOI-QFIPXVFZSA-N 1 1 620.979 5.638 50 0 KKAAMO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000247965103 572250927 /nfs/dbraw/zinc/25/09/27/572250927.db2.gz ZCAATEYDFKIXCL-UHFFFAOYSA-N 1 1 655.424 6.291 50 0 KKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247974602 572251139 /nfs/dbraw/zinc/25/11/39/572251139.db2.gz FIKKHZGZLLGDJB-KCWPFWIISA-N 1 1 533.009 7.264 50 0 KKAAMO CC(C)n1c(C[N@H+]2CCC[C@@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247984804 572251450 /nfs/dbraw/zinc/25/14/50/572251450.db2.gz ILDHHERDDRHVCO-GDLZYMKVSA-N 1 1 535.736 5.763 50 0 KKAAMO Cc1cccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)c1 ZINC000247996524 572251519 /nfs/dbraw/zinc/25/15/19/572251519.db2.gz PYEHQHQHQODTLE-UHFFFAOYSA-N 1 1 503.444 5.947 50 0 KKAAMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000247992676 572251661 /nfs/dbraw/zinc/25/16/61/572251661.db2.gz NJPXBWJLONIXDD-HXUWFJFHSA-N 1 1 503.444 5.947 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)CC1 ZINC000248007347 572252279 /nfs/dbraw/zinc/25/22/79/572252279.db2.gz PZCUYXPAHXOPQH-UHFFFAOYSA-N 1 1 542.511 5.121 50 0 KKAAMO Cc1cccc(CCNC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)c1 ZINC000248052868 572252982 /nfs/dbraw/zinc/25/29/82/572252982.db2.gz BKXBOLJDVDIROA-UHFFFAOYSA-N 1 1 531.498 5.667 50 0 KKAAMO Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248072451 572253103 /nfs/dbraw/zinc/25/31/03/572253103.db2.gz AHHREJGMAWSHLI-XMMPIXPASA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248086072 572253256 /nfs/dbraw/zinc/25/32/56/572253256.db2.gz KEFBMZZMVLUURB-QFIPXVFZSA-N 1 1 517.471 5.625 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4cccc(Br)c4)CC3)CC2)c1 ZINC000248093389 572253408 /nfs/dbraw/zinc/25/34/08/572253408.db2.gz HQIKUTULJBSQBI-UHFFFAOYSA-N 1 1 572.551 5.657 50 0 KKAAMO 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0 KKAAMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)cc1C ZINC000248157032 572255951 /nfs/dbraw/zinc/25/59/51/572255951.db2.gz MLSUXVXHVZXPIN-UHFFFAOYSA-N 1 1 517.471 6.256 50 0 KKAAMO CCCCN(CCCC)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248248591 572257106 /nfs/dbraw/zinc/25/71/06/572257106.db2.gz RHPBMGOEFJSBNA-QFIPXVFZSA-N 1 1 525.535 6.429 50 0 KKAAMO CCCCN(CCCC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248248588 572257139 /nfs/dbraw/zinc/25/71/39/572257139.db2.gz RHPBMGOEFJSBNA-JOCHJYFZSA-N 1 1 525.535 6.429 50 0 KKAAMO C[C@H](NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)c1ccccc1 ZINC000248256349 572257277 /nfs/dbraw/zinc/25/72/77/572257277.db2.gz OKVIJBOUMNMYKT-FQEVSTJZSA-N 1 1 517.471 5.877 50 0 KKAAMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274435 572257710 /nfs/dbraw/zinc/25/77/10/572257710.db2.gz XQGNBFUTMDLDSY-UNMCSNQZSA-N 1 1 517.471 5.877 50 0 KKAAMO CCc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000251923435 572259560 /nfs/dbraw/zinc/25/95/60/572259560.db2.gz BQIOMTNMJQCPGM-NRFANRHFSA-N 1 1 517.471 6.201 50 0 KKAAMO CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000251980826 572259664 /nfs/dbraw/zinc/25/96/64/572259664.db2.gz FTFHOBGJZUABPL-VWLOTQADSA-N 1 1 586.578 5.911 50 0 KKAAMO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000251999688 572259678 /nfs/dbraw/zinc/25/96/78/572259678.db2.gz LZQIFCGKZBBXAW-HHHXNRCGSA-N 1 1 556.154 5.861 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000252011713 572259702 /nfs/dbraw/zinc/25/97/02/572259702.db2.gz SKTAGOOLYNIFJI-RUZDIDTESA-N 1 1 586.578 5.911 50 0 KKAAMO CCCc1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000252157699 572259878 /nfs/dbraw/zinc/25/98/78/572259878.db2.gz HLOLQXLYHLEKOA-DEOSSOPVSA-N 1 1 501.074 6.541 50 0 KKAAMO CCCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000252157699 572259880 /nfs/dbraw/zinc/25/98/80/572259880.db2.gz HLOLQXLYHLEKOA-DEOSSOPVSA-N 1 1 501.074 6.541 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccccc5C(C)C)CC4)CC3)nc3ccccc32)cc1 ZINC000252370490 572260243 /nfs/dbraw/zinc/26/02/43/572260243.db2.gz YASYQXTUMYJNDZ-UHFFFAOYSA-N 1 1 565.762 5.777 50 0 KKAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586367 572265318 /nfs/dbraw/zinc/26/53/18/572265318.db2.gz PKPVAUJGGSQOMJ-QGTBSMAUSA-N 1 1 625.597 5.054 50 0 KKAAMO Cc1ccccc1C(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000253374276 572282287 /nfs/dbraw/zinc/28/22/87/572282287.db2.gz LUQQPNLBSSZAGB-QDPGVEIFSA-N 1 1 501.696 5.076 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)CC3)CC2)cc1 ZINC000253607247 572300911 /nfs/dbraw/zinc/30/09/11/572300911.db2.gz HBDPJPYYNVPUIM-UHFFFAOYSA-N 1 1 600.605 6.301 50 0 KKAAMO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000253607759 572301048 /nfs/dbraw/zinc/30/10/48/572301048.db2.gz ZGDPHEQNBVNNQH-HSZRJFAPSA-N 1 1 501.074 6.712 50 0 KKAAMO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000253607759 572301049 /nfs/dbraw/zinc/30/10/49/572301049.db2.gz ZGDPHEQNBVNNQH-HSZRJFAPSA-N 1 1 501.074 6.712 50 0 KKAAMO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000253607650 572301062 /nfs/dbraw/zinc/30/10/62/572301062.db2.gz PJDAZNDJWUZZFV-JOCHJYFZSA-N 1 1 531.498 6.762 50 0 KKAAMO COc1ccc(CNC(=O)c2ccc(-c3cccc4c5ccccc5sc43)nc2N2CC[NH+](CCO)CC2)cc1OC ZINC000102184611 1069845350 /nfs/dbraw/zinc/84/53/50/1069845350.db2.gz YIXISCULTDCSHR-UHFFFAOYSA-N 1 1 582.726 5.178 50 0 KKAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583647607 1070952394 /nfs/dbraw/zinc/95/23/94/1070952394.db2.gz RHNIPZDOWWMUPQ-GGXMVOPNSA-N 1 1 546.708 5.531 50 0 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513.707 6.701 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)/C=C/c3cccc(F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000012190723 1071238656 /nfs/dbraw/zinc/23/86/56/1071238656.db2.gz UOGPRVMGHIXUAH-IDRNJTBQSA-N 1 1 523.652 6.337 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)c1)Cc1cccc2cccnc21 ZINC000012053114 1071236980 /nfs/dbraw/zinc/23/69/80/1071236980.db2.gz IYINNTBICUZMEA-SSEXGKCCSA-N 1 1 525.668 6.399 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000254402976 1072853676 /nfs/dbraw/zinc/85/36/76/1072853676.db2.gz NJYHWBZDEMABNT-UHFFFAOYSA-N 1 1 686.064 6.296 50 0 KKAAMO C[N@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)Cc2ccccc2)C3)C1 ZINC000014882901 1072893076 /nfs/dbraw/zinc/89/30/76/1072893076.db2.gz ZIFXLUFTCVJGSM-HSZRJFAPSA-N 1 1 505.058 5.691 50 0 KKAAMO Cc1nc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)cs1 ZINC000014990420 1072894521 /nfs/dbraw/zinc/89/45/21/1072894521.db2.gz RLBMLHWQAYNIRC-AREMUKBSSA-N 1 1 514.695 6.096 50 0 KKAAMO O=C(Cc1ccsc1)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000055152963 1072899107 /nfs/dbraw/zinc/89/91/07/1072899107.db2.gz XXLLVNNZTPIRCP-RUZDIDTESA-N 1 1 507.675 5.070 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000000633796 551505613 /nfs/dbraw/zinc/50/56/13/551505613.db2.gz UBDFFVMQEBPOEG-FTJBHMTQSA-N 1 1 502.958 5.170 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1Br ZINC000000635954 551506037 /nfs/dbraw/zinc/50/60/37/551506037.db2.gz MWJMTXQSZQDKQV-DQEYMECFSA-N 1 1 501.384 5.570 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1Br ZINC000000635942 551506062 /nfs/dbraw/zinc/50/60/62/551506062.db2.gz NNSXIORANUKBPJ-BJKOFHAPSA-N 1 1 505.347 5.401 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(O)c(OC)c2)cc1 ZINC000001850554 551715408 /nfs/dbraw/zinc/71/54/08/551715408.db2.gz XBXMGALIJPJZFM-XIFFEERXSA-N 1 1 597.723 7.536 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cc(Br)ccc2OC)cc1 ZINC000002249320 551800872 /nfs/dbraw/zinc/80/08/72/551800872.db2.gz JRPXZAYVUKWIJZ-RPBOFIJWSA-N 1 1 517.383 5.271 50 0 KKAAMO CC[C@@H](c1nnc(SCC(=O)Nc2c(Br)cc(C)cc2Br)n1-c1ccccc1)[NH+](C)C ZINC000002726085 552167082 /nfs/dbraw/zinc/16/70/82/552167082.db2.gz USVVPLWQFSNSOE-SFHVURJKSA-N 1 1 567.351 5.844 50 0 KKAAMO COc1cccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)c(Br)c2)c1 ZINC000002916798 552217803 /nfs/dbraw/zinc/21/78/03/552217803.db2.gz GHTZUMZCMMNKHH-RPBOFIJWSA-N 1 1 517.383 5.271 50 0 KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@@H+]4CCCC[C@@H]4C)ccc3Sc3ccccc3C2=O)c1 ZINC000003047433 552276164 /nfs/dbraw/zinc/27/61/64/552276164.db2.gz CQXZTYPCFQXTCM-DEOSSOPVSA-N 1 1 527.734 6.609 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccccc21)Cc1ccccc1 ZINC000003055302 552280334 /nfs/dbraw/zinc/28/03/34/552280334.db2.gz WRZWNTPJXRNGLO-TURZUDJPSA-N 1 1 534.125 6.237 50 0 KKAAMO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[N@H+](C)CCc4ccccc4)cc3)C2=O)cc1 ZINC000003057723 552281172 /nfs/dbraw/zinc/28/11/72/552281172.db2.gz NOVNXTKJTCKWOM-IWBSIUBASA-N 1 1 545.683 5.866 50 0 KKAAMO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[N@H+](C)Cc4ccccc4)cc3)C2=O)c1 ZINC000003061266 552282157 /nfs/dbraw/zinc/28/21/57/552282157.db2.gz BMCUGNZIUMPPFF-GZZLJNBRSA-N 1 1 561.751 6.927 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[N@H+](C)C3CCCCC3)cc2)C1=O ZINC000003063649 552284089 /nfs/dbraw/zinc/28/40/89/552284089.db2.gz YDGPNNZCVBQBDL-AWSUPERCSA-N 1 1 553.772 7.059 50 0 KKAAMO CN1C(=O)/C(=C\c2ccccc2Cl)Sc2ccc(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cc21 ZINC000003064337 552284455 /nfs/dbraw/zinc/28/44/55/552284455.db2.gz WFWDMEBQFJJIFG-OVVQPSECSA-N 1 1 518.082 5.628 50 0 KKAAMO COc1ccc([C@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661426 552407413 /nfs/dbraw/zinc/40/74/13/552407413.db2.gz YMRYBUIAFGPVQP-SAIUNTKASA-N 1 1 563.673 5.660 50 0 KKAAMO COc1cc(C[C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@H](C3)N(C)CC4)cc1OC ZINC000004098256 552436469 /nfs/dbraw/zinc/43/64/69/552436469.db2.gz ZCTJIMXXSXQXRI-KYJUHHDHSA-N 1 1 696.841 7.063 50 0 biogenic,in-vitro KKAAMO O=C(c1nn2c(nc(-c3ccccc3)cc2C(F)(F)F)c1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000004113786 552438693 /nfs/dbraw/zinc/43/86/93/552438693.db2.gz LSLANYRFFLJZAD-UHFFFAOYSA-N 1 1 576.022 6.616 50 0 KKAAMO O=C(Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1C[NH+]1CCCCC1)c1ccc(Cl)cc1Cl ZINC000005986033 552517447 /nfs/dbraw/zinc/51/74/47/552517447.db2.gz NEZIBDQZVZMTJV-UHFFFAOYSA-N 1 1 544.460 5.760 50 0 KKAAMO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(C[NH+]4CCCCCC4)c3oc2C(F)(F)F)cc1 ZINC000006166835 552557168 /nfs/dbraw/zinc/55/71/68/552557168.db2.gz MQKOYDZRLJYPGE-UHFFFAOYSA-N 1 1 614.060 8.805 50 0 KKAAMO O=C(CC[NH+]1CCOCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000006446795 552589507 /nfs/dbraw/zinc/58/95/07/552589507.db2.gz LEIXKERODLKBKL-MHZLTWQESA-N 1 1 585.502 5.358 50 0 KKAAMO CCOC(=O)c1cc(NCC[N@@H+](C)C[C@@H]2c3ccccc3C=Cc3ccc(Cl)cc32)c2c(Cl)cc(Cl)cc2n1 ZINC000008385951 552991598 /nfs/dbraw/zinc/99/15/98/552991598.db2.gz QHQIPBAICBCAPN-RUZDIDTESA-N 1 1 580.943 8.031 50 0 KKAAMO COc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000008583085 553078589 /nfs/dbraw/zinc/07/85/89/553078589.db2.gz XOBSWULGVIYKFP-UHFFFAOYSA-N 1 1 529.566 6.442 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O ZINC000008597420 553093081 /nfs/dbraw/zinc/09/30/81/553093081.db2.gz DIIAZPUVHOTXPI-SANMLTNESA-N 1 1 559.732 5.373 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[N@@H+]3CCc4ccccc4C3)cnn2-c2ccc(F)cc2F)CC1 ZINC000008597418 553093091 /nfs/dbraw/zinc/09/30/91/553093091.db2.gz BQEXTVLURRYBDP-UHFFFAOYSA-N 1 1 565.665 5.053 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[N@H+]3CCc4ccccc4C3)cnn2-c2ccc(F)cc2F)CC1 ZINC000008597418 553093094 /nfs/dbraw/zinc/09/30/94/553093094.db2.gz BQEXTVLURRYBDP-UHFFFAOYSA-N 1 1 565.665 5.053 50 0 KKAAMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1C=C([O-])NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+]1 ZINC000008758113 553137038 /nfs/dbraw/zinc/13/70/38/553137038.db2.gz WHYOLHMHHAKDIO-SSEXGKCCSA-N 1 1 559.670 5.069 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc(Sc2ccc(C)cc2)c(NC(C)=O)c1)Cc1ccccc1 ZINC000008811904 553149267 /nfs/dbraw/zinc/14/92/67/553149267.db2.gz GUCZZAXWKIQGEI-UHFFFAOYSA-N 1 1 503.712 6.527 50 0 KKAAMO COc1ccc([C@H](CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C)cc2)[NH+]2CCCCC2)cc1 ZINC000008917526 553187193 /nfs/dbraw/zinc/18/71/93/553187193.db2.gz DEYYBBSAJFECQI-LITSAYRRSA-N 1 1 508.618 5.882 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)cnn2-c2ccc(F)cc2)CC1 ZINC000009227750 553222400 /nfs/dbraw/zinc/22/24/00/553222400.db2.gz ABGHVPSECKVUIQ-OAQYLSRUSA-N 1 1 539.696 5.120 50 0 KKAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)[C@H]1c1cccs1 ZINC000009432881 553262942 /nfs/dbraw/zinc/26/29/42/553262942.db2.gz CAUBVGXGZPIDAI-VSGBNLITSA-N 1 1 519.711 5.092 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@H]1c1cccs1 ZINC000009433225 553263089 /nfs/dbraw/zinc/26/30/89/553263089.db2.gz YDXBHKORPNXBLF-WUFINQPMSA-N 1 1 501.696 5.249 50 0 KKAAMO Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009462361 553268319 /nfs/dbraw/zinc/26/83/19/553268319.db2.gz DKLFFRLVFOICLD-GOTSBHOMSA-N 1 1 509.766 6.046 50 0 KKAAMO Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009462357 553268335 /nfs/dbraw/zinc/26/83/35/553268335.db2.gz DKLFFRLVFOICLD-DHIUTWEWSA-N 1 1 509.766 6.046 50 0 KKAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(S(=O)(=O)c4ccc(Oc5ccccc5)cc4)CC3)n2)cc1 ZINC000009573265 553281476 /nfs/dbraw/zinc/28/14/76/553281476.db2.gz KUTKTWGDOVJJGF-UHFFFAOYSA-N 1 1 515.639 5.140 50 0 KKAAMO O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1CC1CCCCC1)N1CCN(c2ccccc2F)CC1 ZINC000011783882 553342428 /nfs/dbraw/zinc/34/24/28/553342428.db2.gz PRZROZITEDRMAR-AMGIVPHBSA-N 1 1 521.706 5.166 50 0 KKAAMO C[N@H+](Cc1ccoc1)Cc1cc(-c2csc3ccccc32)ccc1OCC(=O)NCc1nc2ccccc2s1 ZINC000011782394 553342435 /nfs/dbraw/zinc/34/24/35/553342435.db2.gz QRDHKSYQZGAWSJ-UHFFFAOYSA-N 1 1 553.709 7.098 50 0 KKAAMO C[N@@H+](Cc1ccoc1)Cc1cc(-c2csc3ccccc32)ccc1OCC(=O)NCc1nc2ccccc2s1 ZINC000011782394 553342436 /nfs/dbraw/zinc/34/24/36/553342436.db2.gz QRDHKSYQZGAWSJ-UHFFFAOYSA-N 1 1 553.709 7.098 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000011814514 553343524 /nfs/dbraw/zinc/34/35/24/553343524.db2.gz HSWPBJYYZORMMI-UHFFFAOYSA-N 1 1 505.709 5.432 50 0 KKAAMO COc1ccccc1CCNC(=O)COc1ccc(-c2ccc3c(c2)OCO3)cc1C[N@H+]1CCC[C@H](C)C1 ZINC000011910096 553348837 /nfs/dbraw/zinc/34/88/37/553348837.db2.gz AZIXVFZWCNGRIN-QFIPXVFZSA-N 1 1 516.638 5.061 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)[C@@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000012191590 553353605 /nfs/dbraw/zinc/35/36/05/553353605.db2.gz NETWJYZJFALTNH-AREMUKBSSA-N 1 1 535.754 5.262 50 0 KKAAMO CCN(CC)P(=Nc1cc(Cl)ccc1Cl)([C@@H]1CCCC=C1[NH+]1CCOCC1)N(CC)CC ZINC000012583841 553399497 /nfs/dbraw/zinc/39/94/97/553399497.db2.gz CCGPOMDKIPILPD-XMMPIXPASA-N 1 1 501.483 7.108 50 0 KKAAMO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H]([NH2+]Cc1ccc(OC)cc1)c1ccccc1 ZINC000012631448 553405685 /nfs/dbraw/zinc/40/56/85/553405685.db2.gz GIOUAVUGSSIGNS-AREMUKBSSA-N 1 1 500.620 6.070 50 0 KKAAMO Cc1cc(C)c2c(nn3c2nc(C)cc3N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)n1 ZINC000013541526 553469760 /nfs/dbraw/zinc/46/97/60/553469760.db2.gz DOEQCSNKVJGSLO-UHFFFAOYSA-N 1 1 506.654 5.131 50 0 KKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000013713042 553486105 /nfs/dbraw/zinc/48/61/05/553486105.db2.gz NTYWGERTKQAINY-ZEQRLZLVSA-N 1 1 505.803 6.215 50 0 KKAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000014746273 553520051 /nfs/dbraw/zinc/52/00/51/553520051.db2.gz ZDDMXQBVOUJZFN-BJKOFHAPSA-N 1 1 512.572 5.287 50 0 KKAAMO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)Cc2ccc(F)cc2)C3)s1 ZINC000014996715 553524581 /nfs/dbraw/zinc/52/45/81/553524581.db2.gz OWTZSHGYDZQOGR-JOCHJYFZSA-N 1 1 508.659 5.547 50 0 KKAAMO C[C@@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Oc1ccc(C[N@@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000014998720 553524591 /nfs/dbraw/zinc/52/45/91/553524591.db2.gz AWUMHVHXXLFJGT-FQEVSTJZSA-N 1 1 507.556 6.083 50 0 KKAAMO COc1ccccc1-c1cc(C(F)(F)F)n2nc(C(=O)OC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c(Cl)c2n1 ZINC000015319142 553531505 /nfs/dbraw/zinc/53/15/05/553531505.db2.gz YQUBJXHYUXOILP-QAPCUYQASA-N 1 1 522.955 5.498 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc(Br)c1O ZINC000015945361 553544029 /nfs/dbraw/zinc/54/40/29/553544029.db2.gz XJBAWUXMGSABFJ-QFIPXVFZSA-N 1 1 514.445 5.602 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc(Br)c1O ZINC000015945361 553544031 /nfs/dbraw/zinc/54/40/31/553544031.db2.gz XJBAWUXMGSABFJ-QFIPXVFZSA-N 1 1 514.445 5.602 50 0 KKAAMO COC(=O)c1ccccc1NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCCC1)C[C@@H](C(C)(C)C)CC2 ZINC000015946046 553544418 /nfs/dbraw/zinc/54/44/18/553544418.db2.gz BGRBJINMRRDDNB-IBGZPJMESA-N 1 1 525.715 5.753 50 0 KKAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946686 553544622 /nfs/dbraw/zinc/54/46/22/553544622.db2.gz PNCUAYJPWKXRAB-MSOLQXFVSA-N 1 1 502.124 6.618 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946686 553544624 /nfs/dbraw/zinc/54/46/24/553544624.db2.gz PNCUAYJPWKXRAB-MSOLQXFVSA-N 1 1 502.124 6.618 50 0 KKAAMO CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C(C)(C)C)C3)CC1 ZINC000015946794 553544910 /nfs/dbraw/zinc/54/49/10/553544910.db2.gz OOLSRYXSXCHRNO-SFHVURJKSA-N 1 1 502.124 6.475 50 0 KKAAMO COc1c(Br)cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1Br ZINC000015947054 553545150 /nfs/dbraw/zinc/54/51/50/553545150.db2.gz ZJDYYQJUHVAQKM-QGZVFWFLSA-N 1 1 515.271 5.477 50 0 KKAAMO Cc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(C)c(Cl)c3)C[C@H]2C)cc1 ZINC000016712802 553575029 /nfs/dbraw/zinc/57/50/29/553575029.db2.gz KQMMCTFJBJHELJ-HSZRJFAPSA-N 1 1 508.069 7.073 50 0 KKAAMO Cc1cc(N2C[C@H](C)C[C@H](C)C2)nc2ccc(NC(=O)CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020138699 553594420 /nfs/dbraw/zinc/59/44/20/553594420.db2.gz ZTCKQQLMVUILFT-PSWAGMNNSA-N 1 1 527.713 5.089 50 0 KKAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@@H](OC(=O)c6ccco6)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000070664526 553594672 /nfs/dbraw/zinc/59/46/72/553594672.db2.gz QDRWJGGEHHAYQU-KJTLAYEDSA-N 1 1 523.714 5.344 50 0 biogenic KKAAMO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCC[N@H+]3CCCC[C@@H]3CC)c3ccccc3C(=O)N1CC2 ZINC000020155489 553599492 /nfs/dbraw/zinc/59/94/92/553599492.db2.gz GGWTWTKBWQQGBO-KEPSJGTLSA-N 1 1 533.713 5.092 50 0 KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000070699790 553617153 /nfs/dbraw/zinc/61/71/53/553617153.db2.gz ZJKZOIJAJAGBKZ-KDLQGFRMSA-N 1 1 542.035 5.062 50 0 biogenic KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cc(C)cc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000070699790 553617156 /nfs/dbraw/zinc/61/71/56/553617156.db2.gz ZJKZOIJAJAGBKZ-KDLQGFRMSA-N 1 1 542.035 5.062 50 0 biogenic KKAAMO CC(C)c1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000019841279 553623176 /nfs/dbraw/zinc/62/31/76/553623176.db2.gz NOAGATBFGOBAIW-UHFFFAOYSA-N 1 1 525.696 7.573 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@]2=O)C1CCCCC1 ZINC000020242831 553628101 /nfs/dbraw/zinc/62/81/01/553628101.db2.gz MUJWCGZEJNELMR-LHEWISCISA-N 1 1 529.706 5.398 50 0 KKAAMO CN(C)c1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000019891512 553630182 /nfs/dbraw/zinc/63/01/82/553630182.db2.gz CYPVINGOPSSHQJ-LOSJGSFVSA-N 1 1 500.400 5.319 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc3)C2=O)c1 ZINC000020355187 553640789 /nfs/dbraw/zinc/64/07/89/553640789.db2.gz AEWNPPTVLIFGOE-UCTFJTRWSA-N 1 1 509.650 5.566 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000072177063 553645574 /nfs/dbraw/zinc/64/55/74/553645574.db2.gz JVAQZMVDSSVXGG-JJDPYXMGSA-N 1 1 564.151 6.052 50 0 KKAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)occ3-c1ccc(F)cc1 ZINC000079188485 553666704 /nfs/dbraw/zinc/66/67/04/553666704.db2.gz NKGBULQLZAQTFL-RXFWQSSRSA-N 1 1 502.586 5.577 50 0 biogenic KKAAMO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc1C[C@@H]3N(C)CC2 ZINC000079228534 553672570 /nfs/dbraw/zinc/67/25/70/553672570.db2.gz DRACRVAKPKYPSB-WDYNHAJCSA-N 1 1 682.814 6.760 50 0 biogenic KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000020686293 553689299 /nfs/dbraw/zinc/68/92/99/553689299.db2.gz YWGYKJYUCFXMNB-HHKOPIGSSA-N 1 1 520.629 5.957 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000020686293 553689304 /nfs/dbraw/zinc/68/93/04/553689304.db2.gz YWGYKJYUCFXMNB-HHKOPIGSSA-N 1 1 520.629 5.957 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732221 553692226 /nfs/dbraw/zinc/69/22/26/553692226.db2.gz UKQBCVZZAFLBIC-TZGBDOIBSA-N 1 1 537.704 6.346 50 0 KKAAMO CCCC1=Nc2cc(C(=O)NCC[NH+]3CCN(c4cccc(C)c4C)CC3)ccc2Sc2ccccc21 ZINC000085962257 553692487 /nfs/dbraw/zinc/69/24/87/553692487.db2.gz NRCCKXDXCXOYAQ-UHFFFAOYSA-N 1 1 512.723 6.241 50 0 KKAAMO Cc1ccc(NC(=S)N(CCC[N@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c(C)c1 ZINC000020733210 553693018 /nfs/dbraw/zinc/69/30/18/553693018.db2.gz KGMCMKKNRZJCIB-UHFFFAOYSA-N 1 1 537.217 7.660 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3cc4sccc4n3C[C@@]2(C)C(=O)NC2CCCCCCC2)C1 ZINC000021161377 553708133 /nfs/dbraw/zinc/70/81/33/553708133.db2.gz SCWTYNCFUUQFSR-KERYWQKISA-N 1 1 512.764 5.514 50 0 KKAAMO Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000021162577 553708607 /nfs/dbraw/zinc/70/86/07/553708607.db2.gz DLCTVRBZFJIDKH-VWLOTQADSA-N 1 1 501.719 5.299 50 0 KKAAMO O=C(c1cccc(Cl)c1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796472 553717030 /nfs/dbraw/zinc/71/70/30/553717030.db2.gz JUNTUOLRWIESBH-UHFFFAOYSA-N 1 1 511.988 5.842 50 0 KKAAMO O=C(c1ccc(F)cc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021796676 553717340 /nfs/dbraw/zinc/71/73/40/553717340.db2.gz CSBASIKLKFGATO-UHFFFAOYSA-N 1 1 511.988 5.842 50 0 KKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccccc3F)CC2)c1 ZINC000021796754 553717430 /nfs/dbraw/zinc/71/74/30/553717430.db2.gz HHXNKLVWLLDKFH-UHFFFAOYSA-N 1 1 521.596 5.263 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000096275556 553732730 /nfs/dbraw/zinc/73/27/30/553732730.db2.gz XXNYCVRGIDEQJF-MHZLTWQESA-N 1 1 519.611 6.395 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000096277088 553734025 /nfs/dbraw/zinc/73/40/25/553734025.db2.gz MKGGRVDCPOTFPM-HHHXNRCGSA-N 1 1 511.666 5.452 50 0 KKAAMO Cc1ccc(-c2nnc(SCc3cccc(C(=O)N4CC[NH+](C)CC4)c3)n2-c2ccc(F)cc2)cc1 ZINC000096288595 553740345 /nfs/dbraw/zinc/74/03/45/553740345.db2.gz RNTVAQKAEGROPR-UHFFFAOYSA-N 1 1 501.631 5.062 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c4cc(Cl)c(Cl)cc4nc3Cc3ccccc3)cc2)CC1 ZINC000096288651 553740623 /nfs/dbraw/zinc/74/06/23/553740623.db2.gz NBBSLVHSRRSYSK-UHFFFAOYSA-N 1 1 507.465 5.760 50 0 KKAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3ccc(OC)cc3)nc3ccc(-c4ccccc4Cl)cn32)CC1 ZINC000096289162 553741123 /nfs/dbraw/zinc/74/11/23/553741123.db2.gz VHYNUTGODBQUIN-UHFFFAOYSA-N 1 1 503.046 5.427 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2cc(C)ccc2F)CC1 ZINC000096289215 553741149 /nfs/dbraw/zinc/74/11/49/553741149.db2.gz XOEZPRCFCQLPGD-HHHXNRCGSA-N 1 1 513.657 5.832 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccc(C)cc4)c(C[NH+]4CCN(C(=O)C5CCC5)CC4)n3c2)c1 ZINC000096289047 553741155 /nfs/dbraw/zinc/74/11/55/553741155.db2.gz SMDVWAKZQFBXAC-UHFFFAOYSA-N 1 1 508.666 5.820 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(Cc4ccccc4)n3-c3ccccc3F)c2)CC1 ZINC000096289859 553742274 /nfs/dbraw/zinc/74/22/74/553742274.db2.gz FFNHIGPLWFHFOO-UHFFFAOYSA-N 1 1 515.658 5.067 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(Cc4ccccc4)n3-c3ccc(C)cc3)c2)CC1 ZINC000096289852 553742334 /nfs/dbraw/zinc/74/23/34/553742334.db2.gz XLDDDQVAAQQIHW-UHFFFAOYSA-N 1 1 511.695 5.237 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)CC(C)(C)C)CC4)n3c2)c1 ZINC000096292443 553746463 /nfs/dbraw/zinc/74/64/63/553746463.db2.gz KNBBZEYGYZVUET-UHFFFAOYSA-N 1 1 510.682 6.147 50 0 KKAAMO Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(CN3CC[NH+](CCOc4ccccc4)CC3)n1-2 ZINC000022574651 553747202 /nfs/dbraw/zinc/74/72/02/553747202.db2.gz VKZUZBWSJBWSDH-UHFFFAOYSA-N 1 1 547.490 5.122 50 0 KKAAMO Cc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)CC2)cc1 ZINC000096346871 553752777 /nfs/dbraw/zinc/75/27/77/553752777.db2.gz DFXRIVVSSZKDSW-UHFFFAOYSA-N 1 1 524.466 6.485 50 0 KKAAMO Fc1ccc(SCC[NH+]2CCN([C@H]3Cc4ccc(Cl)cc4Sc4ccc(Cl)cc43)CC2)cc1 ZINC000096568859 553755882 /nfs/dbraw/zinc/75/58/82/553755882.db2.gz ARVDREFVZCWDFV-DEOSSOPVSA-N 1 1 519.538 7.291 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2-c2nc3ccccc3s2)C1 ZINC000023153846 553771031 /nfs/dbraw/zinc/77/10/31/553771031.db2.gz BIUIOGJDOJWDGA-UHFFFAOYSA-N 1 1 509.653 5.681 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3cc(OC)c(OC)c(OC)c3)c2-c2nc3ccccc3s2)C1 ZINC000023153846 553771036 /nfs/dbraw/zinc/77/10/36/553771036.db2.gz BIUIOGJDOJWDGA-UHFFFAOYSA-N 1 1 509.653 5.681 50 0 KKAAMO Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1C ZINC000023153854 553771109 /nfs/dbraw/zinc/77/11/09/553771109.db2.gz AHGUTGIMKUZKHI-UHFFFAOYSA-N 1 1 509.700 7.452 50 0 KKAAMO Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1C ZINC000023153854 553771111 /nfs/dbraw/zinc/77/11/11/553771111.db2.gz AHGUTGIMKUZKHI-UHFFFAOYSA-N 1 1 509.700 7.452 50 0 KKAAMO Cc1ccccc1NC(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023336379 553774164 /nfs/dbraw/zinc/77/41/64/553774164.db2.gz IYDHEOKUQVAUPL-UHFFFAOYSA-N 1 1 512.481 6.648 50 0 KKAAMO O=C(CCc1ccco1)N1CC[NH+](Cc2ccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC000025142471 553793442 /nfs/dbraw/zinc/79/34/42/553793442.db2.gz MFFMAVRTSXAEKQ-UHFFFAOYSA-N 1 1 510.516 5.292 50 0 KKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)c3cc(Br)ccc3n2)cc1C ZINC000097949329 553801373 /nfs/dbraw/zinc/80/13/73/553801373.db2.gz UJNJKOVHJPPUTQ-UHFFFAOYSA-N 1 1 570.575 7.537 50 0 KKAAMO COCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2cccc(C(=O)NCC(C)C)c2)n1 ZINC000097955959 553835192 /nfs/dbraw/zinc/83/51/92/553835192.db2.gz CJEDKBDMFHLGET-XYOKQWHBSA-N 1 1 545.753 5.137 50 0 KKAAMO CC(C)CNC(=O)c1cccc(CSc2nc(-c3ccccc3)cc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)c1 ZINC000097955953 553835231 /nfs/dbraw/zinc/83/52/31/553835231.db2.gz RMHSACYKNHUZHV-GXDHUFHOSA-N 1 1 577.798 6.657 50 0 KKAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4F)C3=O)c2)CC1 ZINC000097956311 553837653 /nfs/dbraw/zinc/83/76/53/553837653.db2.gz YGAIGJWUCYLGLE-XIAMHYJPSA-N 1 1 547.627 5.720 50 0 KKAAMO Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3n2)cc1 ZINC000029490891 553844972 /nfs/dbraw/zinc/84/49/72/553844972.db2.gz JAAZXRWISBJMJE-UHFFFAOYSA-N 1 1 537.614 6.190 50 0 KKAAMO Cc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cs2)C(C)C)cc1 ZINC000029492139 553845402 /nfs/dbraw/zinc/84/54/02/553845402.db2.gz YZPCWHFFVFRYLQ-UHFFFAOYSA-N 1 1 609.796 5.417 50 0 KKAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](CC)C3)cc1 ZINC000097963403 553889705 /nfs/dbraw/zinc/88/97/05/553889705.db2.gz MFQWUYNJFOKOFQ-UHFFFAOYSA-N 1 1 568.790 6.076 50 0 KKAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](CC)C3)cc1 ZINC000097963403 553889709 /nfs/dbraw/zinc/88/97/09/553889709.db2.gz MFQWUYNJFOKOFQ-UHFFFAOYSA-N 1 1 568.790 6.076 50 0 KKAAMO COc1ccc([C@@H]2CC(=O)c3cnc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)nc3C2)cc1OC ZINC000033353717 553926791 /nfs/dbraw/zinc/92/67/91/553926791.db2.gz VWLFHHMAHZDCFS-SANMLTNESA-N 1 1 534.660 5.318 50 0 KKAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1ccc(Cl)cc1 ZINC000033355503 553935265 /nfs/dbraw/zinc/93/52/65/553935265.db2.gz FULUPRJQSLNMEK-MOHJPFBDSA-N 1 1 561.988 5.228 50 0 KKAAMO COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3N2)cc1 ZINC000033358570 553956799 /nfs/dbraw/zinc/95/67/99/553956799.db2.gz BZXVKZUKKASALZ-IZLXSDGUSA-N 1 1 575.635 6.099 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccccc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000033633941 553965505 /nfs/dbraw/zinc/96/55/05/553965505.db2.gz SWRQOJMJJGLIMD-RQLJPHHTSA-N 1 1 516.497 7.735 50 0 KKAAMO Cc1cccc([C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cn(C)c3ccccc23)c1 ZINC000033690774 553968184 /nfs/dbraw/zinc/96/81/84/553968184.db2.gz OLZYCKILIGSCPD-YTTGMZPUSA-N 1 1 527.712 6.943 50 0 KKAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@@H](C(C)(C)C)C2 ZINC000033705916 553969285 /nfs/dbraw/zinc/96/92/85/553969285.db2.gz PNCUAYJPWKXRAB-QZTJIDSGSA-N 1 1 502.124 6.618 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@@H](C(C)(C)C)C2 ZINC000033705916 553969287 /nfs/dbraw/zinc/96/92/87/553969287.db2.gz PNCUAYJPWKXRAB-QZTJIDSGSA-N 1 1 502.124 6.618 50 0 KKAAMO Cc1cccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)[C@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)c1 ZINC000034667504 553982260 /nfs/dbraw/zinc/98/22/60/553982260.db2.gz GWRYAXPYSNTRMW-BNHRFMORSA-N 1 1 508.637 6.366 50 0 KKAAMO Cc1cccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)c1 ZINC000034667504 553982257 /nfs/dbraw/zinc/98/22/57/553982257.db2.gz GWRYAXPYSNTRMW-BNHRFMORSA-N 1 1 508.637 6.366 50 0 KKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4cccc(F)c4)cc3[C@H]2c2ccccc2)c1 ZINC000034671853 553982451 /nfs/dbraw/zinc/98/24/51/553982451.db2.gz JGCONOBZURGCRR-NRUKRWIHSA-N 1 1 508.637 6.366 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671709 553982459 /nfs/dbraw/zinc/98/24/59/553982459.db2.gz UABWLVIVSKWJTJ-LQJZCPKCSA-N 1 1 522.664 6.756 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671611 553982472 /nfs/dbraw/zinc/98/24/72/553982472.db2.gz AXSHSLGNMFARCU-LQJZCPKCSA-N 1 1 519.689 6.054 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671624 553982627 /nfs/dbraw/zinc/98/26/27/553982627.db2.gz AXSHSLGNMFARCU-CZNDPXEESA-N 1 1 519.689 6.054 50 0 KKAAMO COc1cccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccccc4C(F)(F)F)cn3)CC2)c1OC ZINC000034681954 553985459 /nfs/dbraw/zinc/98/54/59/553985459.db2.gz JYHHHQNRPWCBES-UHFFFAOYSA-N 1 1 514.548 5.082 50 0 KKAAMO Cc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1 ZINC000034683718 553985828 /nfs/dbraw/zinc/98/58/28/553985828.db2.gz YZDVMCZQQBTZBK-UHFFFAOYSA-N 1 1 506.565 6.013 50 0 KKAAMO Cc1ccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000034683693 553986031 /nfs/dbraw/zinc/98/60/31/553986031.db2.gz CAFVTTLNIXTXTJ-UHFFFAOYSA-N 1 1 506.565 6.013 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685548 553987073 /nfs/dbraw/zinc/98/70/73/553987073.db2.gz JTRWYHLIOZQWIU-FIRIVFDPSA-N 1 1 512.625 6.382 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)N(C)Cc1ccco1 ZINC000034685548 553987070 /nfs/dbraw/zinc/98/70/70/553987070.db2.gz JTRWYHLIOZQWIU-FIRIVFDPSA-N 1 1 512.625 6.382 50 0 KKAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000097980281 553987194 /nfs/dbraw/zinc/98/71/94/553987194.db2.gz MNSGXSSVYXVXMQ-QURGRASLSA-N 1 1 538.695 6.795 50 0 KKAAMO COc1cccc(C[N@@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)C2)c1 ZINC000034698844 553991517 /nfs/dbraw/zinc/99/15/17/553991517.db2.gz STXAROWYFGXHNX-WXGMZPBLSA-N 1 1 514.685 6.833 50 0 KKAAMO Cc1ccc(C(=O)N(C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000034698697 553991669 /nfs/dbraw/zinc/99/16/69/553991669.db2.gz AVKSALOHMDYIGJ-LBNVMWSVSA-N 1 1 512.591 6.919 50 0 KKAAMO Cc1cc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)oc1C ZINC000034699130 553991854 /nfs/dbraw/zinc/99/18/54/553991854.db2.gz HTDMDWOPRKQETE-YWEHKCAJSA-N 1 1 530.606 7.068 50 0 KKAAMO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3C)[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)C2)ccc1O ZINC000034698852 553991870 /nfs/dbraw/zinc/99/18/70/553991870.db2.gz SCGLQMVMNRDULQ-PDDLMNHVSA-N 1 1 530.684 6.539 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699120 553992016 /nfs/dbraw/zinc/99/20/16/553992016.db2.gz XFOAKDYXTUUMFD-WNCULLNHSA-N 1 1 515.595 6.197 50 0 KKAAMO COc1ccc([C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699321 553992285 /nfs/dbraw/zinc/99/22/85/553992285.db2.gz XATDTIHUKUFJHF-UFHPHHKVSA-N 1 1 514.563 6.117 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000034704165 553993404 /nfs/dbraw/zinc/99/34/04/553993404.db2.gz PWBYGGLCHNBEJX-LKQHQURMSA-N 1 1 516.641 5.974 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000034704165 553993407 /nfs/dbraw/zinc/99/34/07/553993407.db2.gz PWBYGGLCHNBEJX-LKQHQURMSA-N 1 1 516.641 5.974 50 0 KKAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C2/C(=C/c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000097981469 553994437 /nfs/dbraw/zinc/99/44/37/553994437.db2.gz OURKDNVLOVJUDH-DXZBTQJWSA-N 1 1 573.568 6.934 50 0 KKAAMO Cc1cc([C@H]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716675 553995711 /nfs/dbraw/zinc/99/57/11/553995711.db2.gz VPGIDMQPCKRJFS-GOTSBHOMSA-N 1 1 518.982 6.728 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034787874 554005401 /nfs/dbraw/zinc/00/54/01/554005401.db2.gz MVHYNNWEOMDLLE-AREMUKBSSA-N 1 1 527.612 5.007 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034787874 554005399 /nfs/dbraw/zinc/00/53/99/554005399.db2.gz MVHYNNWEOMDLLE-AREMUKBSSA-N 1 1 527.612 5.007 50 0 KKAAMO Cc1ccc(C(=O)N2CCCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830232 554014874 /nfs/dbraw/zinc/01/48/74/554014874.db2.gz FXLFMUCVTSVBQR-LJAQVGFWSA-N 1 1 501.696 5.077 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@H](C)C2)cc1 ZINC000034830157 554014936 /nfs/dbraw/zinc/01/49/36/554014936.db2.gz CTPFBMUCGTVGCK-DJUQAAIZSA-N 1 1 507.744 5.424 50 0 KKAAMO Cc1ccccc1C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]1C ZINC000034830267 554015202 /nfs/dbraw/zinc/01/52/02/554015202.db2.gz PQDBPBCIWVBSMH-BTYSJIOQSA-N 1 1 501.696 5.076 50 0 KKAAMO Cc1ccccc1C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]1C ZINC000034830266 554015300 /nfs/dbraw/zinc/01/53/00/554015300.db2.gz PQDBPBCIWVBSMH-RNWIMVQKSA-N 1 1 501.696 5.076 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830393 554015560 /nfs/dbraw/zinc/01/55/60/554015560.db2.gz MNYODBKMFQHKQZ-IADCTJSHSA-N 1 1 507.744 5.424 50 0 KKAAMO CCc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830431 554015576 /nfs/dbraw/zinc/01/55/76/554015576.db2.gz TWMAHXODAVPQFG-IADCTJSHSA-N 1 1 515.723 5.330 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000034830512 554016229 /nfs/dbraw/zinc/01/62/29/554016229.db2.gz OLTYFLBAIKJLOR-WINIVTDRSA-N 1 1 526.077 5.251 50 0 KKAAMO COc1ccccc1-c1cc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)n2nc(-c3ccc(Cl)cc3)cc2n1 ZINC000034834320 554018949 /nfs/dbraw/zinc/01/89/49/554018949.db2.gz ZHYKWRNJERORFZ-FQEVSTJZSA-N 1 1 518.061 5.720 50 0 KKAAMO COc1cc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000097985316 554022446 /nfs/dbraw/zinc/02/24/46/554022446.db2.gz LRTSRDOEXNJAEM-WNJJXGMVSA-N 1 1 635.687 6.117 50 0 KKAAMO Cc1cccc([C@H](CC(=O)NCCC[NH+]2CCOCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000035189700 554041326 /nfs/dbraw/zinc/04/13/26/554041326.db2.gz WTWFDMBVRMGWIR-LJAQVGFWSA-N 1 1 513.657 5.498 50 0 KKAAMO O=C(c1nn2c(c1Br)N[C@H](c1ccco1)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097999765 554045697 /nfs/dbraw/zinc/04/56/97/554045697.db2.gz XCTSLVYLKJWXSJ-GMAHTHKFSA-N 1 1 614.466 6.446 50 0 KKAAMO O=C(c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098000215 554049288 /nfs/dbraw/zinc/04/92/88/554049288.db2.gz AGSSNEHRDBAQIA-RPBOFIJWSA-N 1 1 580.054 6.744 50 0 KKAAMO O=C(c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098000213 554049290 /nfs/dbraw/zinc/04/92/90/554049290.db2.gz AGSSNEHRDBAQIA-JWQCQUIFSA-N 1 1 580.054 6.744 50 0 KKAAMO O=C(c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098000214 554049312 /nfs/dbraw/zinc/04/93/12/554049312.db2.gz AGSSNEHRDBAQIA-DQEYMECFSA-N 1 1 580.054 6.744 50 0 KKAAMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@@H](C(C)(C)C)C2 ZINC000035415638 554049546 /nfs/dbraw/zinc/04/95/46/554049546.db2.gz DVNVDVJYBUKIHL-NQIIRXRSSA-N 1 1 516.151 7.008 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@@H](C(C)(C)C)C2 ZINC000035415638 554049550 /nfs/dbraw/zinc/04/95/50/554049550.db2.gz DVNVDVJYBUKIHL-NQIIRXRSSA-N 1 1 516.151 7.008 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(C)c2C)CC[N@@H+](C)C4)cc1 ZINC000035427135 554050607 /nfs/dbraw/zinc/05/06/07/554050607.db2.gz FJXRMBMKUZHIPK-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(C)c2C)CC[N@H+](C)C4)cc1 ZINC000035427135 554050604 /nfs/dbraw/zinc/05/06/04/554050604.db2.gz FJXRMBMKUZHIPK-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(Cl)cc2)CC[N@H+](C)C4)cc1 ZINC000035427130 554050793 /nfs/dbraw/zinc/05/07/93/554050793.db2.gz MSCFWAXLLYVEGI-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(Cl)cc2)CC[N@@H+](C)C4)cc1 ZINC000035427130 554050796 /nfs/dbraw/zinc/05/07/96/554050796.db2.gz MSCFWAXLLYVEGI-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427208 554051103 /nfs/dbraw/zinc/05/11/03/554051103.db2.gz ZBCZNTZPJQMLBG-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)cc1 ZINC000035427210 554051117 /nfs/dbraw/zinc/05/11/17/554051117.db2.gz ZBCZNTZPJQMLBG-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427210 554051120 /nfs/dbraw/zinc/05/11/20/554051120.db2.gz ZBCZNTZPJQMLBG-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)cc1 ZINC000035427208 554051101 /nfs/dbraw/zinc/05/11/01/554051101.db2.gz ZBCZNTZPJQMLBG-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2OC)CC[N@@H+](C)C4)c1 ZINC000035427284 554051420 /nfs/dbraw/zinc/05/14/20/554051420.db2.gz IZAHIWINJXXSCN-HHHXNRCGSA-N 1 1 514.651 5.681 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2OC)CC[N@H+](C)C4)c1 ZINC000035427284 554051417 /nfs/dbraw/zinc/05/14/17/554051417.db2.gz IZAHIWINJXXSCN-HHHXNRCGSA-N 1 1 514.651 5.681 50 0 KKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000035427268 554051658 /nfs/dbraw/zinc/05/16/58/554051658.db2.gz IXJBNKGJWLKJCG-HHHXNRCGSA-N 1 1 516.642 6.120 50 0 KKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000035427268 554051663 /nfs/dbraw/zinc/05/16/63/554051663.db2.gz IXJBNKGJWLKJCG-HHHXNRCGSA-N 1 1 516.642 6.120 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(F)c2)CC[N@H+](C)C4)c1 ZINC000035427325 554051840 /nfs/dbraw/zinc/05/18/40/554051840.db2.gz RMTTVXULFXRLKJ-HHHXNRCGSA-N 1 1 516.642 6.120 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(F)c2)CC[N@@H+](C)C4)c1 ZINC000035427325 554051842 /nfs/dbraw/zinc/05/18/42/554051842.db2.gz RMTTVXULFXRLKJ-HHHXNRCGSA-N 1 1 516.642 6.120 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(F)ccc2F)CC[N@H+](C)C4)c1 ZINC000035427327 554051959 /nfs/dbraw/zinc/05/19/59/554051959.db2.gz KSLXMIUQXOHQAU-SANMLTNESA-N 1 1 520.605 5.951 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(F)ccc2F)CC[N@@H+](C)C4)c1 ZINC000035427327 554051962 /nfs/dbraw/zinc/05/19/62/554051962.db2.gz KSLXMIUQXOHQAU-SANMLTNESA-N 1 1 520.605 5.951 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(OC)c1)C[N@@H+](C)CC3 ZINC000035427309 554052023 /nfs/dbraw/zinc/05/20/23/554052023.db2.gz FAWOHCXYEGJTMH-MUUNZHRXSA-N 1 1 528.678 6.071 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(OC)c1)C[N@H+](C)CC3 ZINC000035427309 554052026 /nfs/dbraw/zinc/05/20/26/554052026.db2.gz FAWOHCXYEGJTMH-MUUNZHRXSA-N 1 1 528.678 6.071 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(Cl)c1)C[N@@H+](C)CC3 ZINC000035427366 554052251 /nfs/dbraw/zinc/05/22/51/554052251.db2.gz GGMUDSBYBDJXBH-HHHXNRCGSA-N 1 1 517.098 6.880 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(Cl)c1)C[N@H+](C)CC3 ZINC000035427366 554052254 /nfs/dbraw/zinc/05/22/54/554052254.db2.gz GGMUDSBYBDJXBH-HHHXNRCGSA-N 1 1 517.098 6.880 50 0 KKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(Cl)c1)C[N@H+](C)CC3 ZINC000035427356 554052349 /nfs/dbraw/zinc/05/23/49/554052349.db2.gz IDIIBYJCFHKHOK-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(Cl)c1)C[N@@H+](C)CC3 ZINC000035427356 554052353 /nfs/dbraw/zinc/05/23/53/554052353.db2.gz IDIIBYJCFHKHOK-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCC[N@H+]5CCCC[C@@H]5C)CC4)ccc3o2)cc1 ZINC000035454644 554055698 /nfs/dbraw/zinc/05/56/98/554055698.db2.gz MHDRXGOVDKXBQJ-XZOQPEGZSA-N 1 1 516.686 5.282 50 0 KKAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc21)Nc1ccc(F)cc1 ZINC000098009800 554071483 /nfs/dbraw/zinc/07/14/83/554071483.db2.gz VWKQCPWNLVEOIF-UHFFFAOYSA-N 1 1 531.607 5.133 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4cccc(OC)c4)n3-c3ccccc3F)cc2)CC1 ZINC000098010639 554073204 /nfs/dbraw/zinc/07/32/04/554073204.db2.gz CJYZJYCCRQVDRA-UHFFFAOYSA-N 1 1 531.657 5.152 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000035842573 554080959 /nfs/dbraw/zinc/08/09/59/554080959.db2.gz IYXBNZXIMFGNHV-NDEPHWFRSA-N 1 1 521.746 5.535 50 0 KKAAMO CC(C)[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000035842647 554081094 /nfs/dbraw/zinc/08/10/94/554081094.db2.gz LXZYHIOHIAPBNZ-HKBQPEDESA-N 1 1 539.764 6.351 50 0 KKAAMO CC(C)Cc1nc2c(cnn2-c2ccccc2)c(N2CCC[N@@H+](Cc3ccc(C(F)(F)F)cc3)CC2)n1 ZINC000035925697 554097817 /nfs/dbraw/zinc/09/78/17/554097817.db2.gz MPSUBKUJQXIHCT-UHFFFAOYSA-N 1 1 508.592 5.745 50 0 KKAAMO Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CCC[NH+]2CCOCC2)C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)o1 ZINC000098017682 554109601 /nfs/dbraw/zinc/10/96/01/554109601.db2.gz HPWMEUCGHKBGRH-UHFFFAOYSA-N 1 1 640.625 6.411 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000098020113 554116809 /nfs/dbraw/zinc/11/68/09/554116809.db2.gz GMJJTOPHYFQMKU-GDLZYMKVSA-N 1 1 551.772 5.161 50 0 KKAAMO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccc(OC)cc4)nc4ccc(Br)cc43)CC2)cc1 ZINC000098042727 554121884 /nfs/dbraw/zinc/12/18/84/554121884.db2.gz OVOPPNSXSKRJKE-UHFFFAOYSA-N 1 1 544.493 6.193 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccccc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000036007041 554131868 /nfs/dbraw/zinc/13/18/68/554131868.db2.gz CSUQHRYVIMMDIO-NBLTXYOTSA-N 1 1 507.659 6.445 50 0 KKAAMO CC[C@@H](NC(=O)c1cccc(OC)c1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048296 554154224 /nfs/dbraw/zinc/15/42/24/554154224.db2.gz HRLHKXRLRFQQLU-UHSQPCAPSA-N 1 1 504.627 5.029 50 0 KKAAMO CC[C@@H](NC(=O)c1cccc(OC)c1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048296 554154228 /nfs/dbraw/zinc/15/42/28/554154228.db2.gz HRLHKXRLRFQQLU-UHSQPCAPSA-N 1 1 504.627 5.029 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(Nc3c(Oc4cc(C)cc(C)c4)cnn(-c4ccccc4)c3=O)cc2)CC1 ZINC000036061499 554161544 /nfs/dbraw/zinc/16/15/44/554161544.db2.gz TVPVPUYNUUMJTL-UHFFFAOYSA-N 1 1 523.637 5.163 50 0 KKAAMO CC(C)c1cccc(Oc2cnn(-c3ccccc3)c(=O)c2Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000036063776 554162634 /nfs/dbraw/zinc/16/26/34/554162634.db2.gz KQDTUYNTYSCOCX-UHFFFAOYSA-N 1 1 523.637 5.279 50 0 KKAAMO Cc1nnc(C(C)C)n1[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000100003902 554177762 /nfs/dbraw/zinc/17/77/62/554177762.db2.gz GSNHKUDZZFZSJB-QYOOZWMWSA-N 1 1 513.677 5.951 50 0 fda KKAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146779 554198094 /nfs/dbraw/zinc/19/80/94/554198094.db2.gz QCJNAHJYVVTTGL-GMAHTHKFSA-N 1 1 519.856 6.082 50 0 KKAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146779 554198098 /nfs/dbraw/zinc/19/80/98/554198098.db2.gz QCJNAHJYVVTTGL-GMAHTHKFSA-N 1 1 519.856 6.082 50 0 KKAAMO COCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(OC)c(OC)c1 ZINC000036156199 554198708 /nfs/dbraw/zinc/19/87/08/554198708.db2.gz GYNBQZHTKOUYIT-UHFFFAOYSA-N 1 1 523.576 5.508 50 0 KKAAMO COCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc(OC)c(OC)c1 ZINC000036156199 554198706 /nfs/dbraw/zinc/19/87/06/554198706.db2.gz GYNBQZHTKOUYIT-UHFFFAOYSA-N 1 1 523.576 5.508 50 0 KKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccc(F)c1 ZINC000036203093 554201017 /nfs/dbraw/zinc/20/10/17/554201017.db2.gz JYVPDHNROJYTHX-UHFFFAOYSA-N 1 1 519.613 5.759 50 0 KKAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](C[C@@H](O)Cc4ccccc4)C4CCCCC4)nc(=O)c23)cc1C ZINC000036205358 554201129 /nfs/dbraw/zinc/20/11/29/554201129.db2.gz BQPSENSCVSOJSF-VWLOTQADSA-N 1 1 501.696 6.007 50 0 KKAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@H](O)COc4ccccc4C)nc(=O)c23)cc1C ZINC000036207568 554202542 /nfs/dbraw/zinc/20/25/42/554202542.db2.gz AROOQDWVQRQWCT-QHCPKHFHSA-N 1 1 505.684 5.475 50 0 KKAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@H](O)COc4ccccc4C)nc(=O)c23)cc1C ZINC000036207568 554202545 /nfs/dbraw/zinc/20/25/45/554202545.db2.gz AROOQDWVQRQWCT-QHCPKHFHSA-N 1 1 505.684 5.475 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)c1ccc(C(C)C)cc1)[C@H](c1ccco1)C[N@@H+]2C ZINC000036208045 554202973 /nfs/dbraw/zinc/20/29/73/554202973.db2.gz VFYDLZMBKCOEOJ-IHZCURHOSA-N 1 1 518.657 6.682 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)c1ccc(C(C)C)cc1)[C@H](c1ccco1)C[N@H+]2C ZINC000036208045 554202974 /nfs/dbraw/zinc/20/29/74/554202974.db2.gz VFYDLZMBKCOEOJ-IHZCURHOSA-N 1 1 518.657 6.682 50 0 KKAAMO CC[C@@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000036302051 554211676 /nfs/dbraw/zinc/21/16/76/554211676.db2.gz UAXRSEWQUQEUOH-YWEHKCAJSA-N 1 1 529.681 6.160 50 0 KKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036301746 554211722 /nfs/dbraw/zinc/21/17/22/554211722.db2.gz GVYXTFCBYNRAON-XMMPIXPASA-N 1 1 500.083 6.260 50 0 KKAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)COCc2ccco2)C(C)C)c(C)nn1-c1ccccc1 ZINC000036301989 554212070 /nfs/dbraw/zinc/21/20/70/554212070.db2.gz YEZMOHUNVMYRPD-DEOSSOPVSA-N 1 1 505.615 5.363 50 0 KKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COc3ccccc3C)c(C)nn2-c2ccccc2)cc1 ZINC000036302374 554212452 /nfs/dbraw/zinc/21/24/52/554212452.db2.gz LKPBEQOOSPQNNS-MHZLTWQESA-N 1 1 529.681 6.188 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036303970 554213817 /nfs/dbraw/zinc/21/38/17/554213817.db2.gz UIXDGXAVUWETIS-SANMLTNESA-N 1 1 505.609 6.313 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)Cc1ccccc1 ZINC000036304017 554213856 /nfs/dbraw/zinc/21/38/56/554213856.db2.gz NYRGKOYIRKAERZ-VWLOTQADSA-N 1 1 507.581 5.303 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)Cc1ccccc1 ZINC000036304017 554213862 /nfs/dbraw/zinc/21/38/62/554213862.db2.gz NYRGKOYIRKAERZ-VWLOTQADSA-N 1 1 507.581 5.303 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036304660 554214335 /nfs/dbraw/zinc/21/43/35/554214335.db2.gz VHBGEULADHXDDW-NDEPHWFRSA-N 1 1 515.654 5.308 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@H](O)COCc1ccccc1 ZINC000036304660 554214340 /nfs/dbraw/zinc/21/43/40/554214340.db2.gz VHBGEULADHXDDW-NDEPHWFRSA-N 1 1 515.654 5.308 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036304329 554214427 /nfs/dbraw/zinc/21/44/27/554214427.db2.gz UCZGSFUTSSQHNL-AREMUKBSSA-N 1 1 501.627 5.034 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)Cc1ccccc1 ZINC000036304329 554214429 /nfs/dbraw/zinc/21/44/29/554214429.db2.gz UCZGSFUTSSQHNL-AREMUKBSSA-N 1 1 501.627 5.034 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)COCC(C)C ZINC000036304962 554215007 /nfs/dbraw/zinc/21/50/07/554215007.db2.gz AZWUQOXWASHKNU-QFIPXVFZSA-N 1 1 502.055 5.015 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)Cc1ccccc1 ZINC000036305078 554215033 /nfs/dbraw/zinc/21/50/33/554215033.db2.gz AQDSWDLEBJLJAR-VWLOTQADSA-N 1 1 506.046 5.585 50 0 KKAAMO COc1cccc(Oc2c(C[N@H+](Cc3ccco3)C[C@H](O)COC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305366 554215208 /nfs/dbraw/zinc/21/52/08/554215208.db2.gz UQWQNCROWYLDBD-QHCPKHFHSA-N 1 1 505.615 5.269 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](Cc3ccco3)C[C@H](O)COC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305366 554215205 /nfs/dbraw/zinc/21/52/05/554215205.db2.gz UQWQNCROWYLDBD-QHCPKHFHSA-N 1 1 505.615 5.269 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COc3ccccc3C)c(-c3ccccc3)nn2C)c1 ZINC000036305285 554215444 /nfs/dbraw/zinc/21/54/44/554215444.db2.gz JTEGOQLYQMSDOM-SANMLTNESA-N 1 1 529.681 6.094 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@H](O)COc1ccccc1 ZINC000036306297 554215769 /nfs/dbraw/zinc/21/57/69/554215769.db2.gz SAZBBJRWRJAMCG-VWLOTQADSA-N 1 1 501.627 5.076 50 0 KKAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@H](O)COCc3ccco3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306554 554215896 /nfs/dbraw/zinc/21/58/96/554215896.db2.gz LNHLEGSYSUIFOV-VWLOTQADSA-N 1 1 501.627 5.571 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000036307875 554216162 /nfs/dbraw/zinc/21/61/62/554216162.db2.gz SOOFILSBMGAFHF-MHZLTWQESA-N 1 1 529.656 6.469 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000036307875 554216166 /nfs/dbraw/zinc/21/61/66/554216166.db2.gz SOOFILSBMGAFHF-MHZLTWQESA-N 1 1 529.656 6.469 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036307873 554216454 /nfs/dbraw/zinc/21/64/54/554216454.db2.gz KFEIFKXYLLAHEV-RUZDIDTESA-N 1 1 515.629 6.331 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036307873 554216457 /nfs/dbraw/zinc/21/64/57/554216457.db2.gz KFEIFKXYLLAHEV-RUZDIDTESA-N 1 1 515.629 6.331 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@H](O)COC(C)(C)C)c1Oc1ccc(F)cc1 ZINC000036307513 554216463 /nfs/dbraw/zinc/21/64/63/554216463.db2.gz GQDUNIHBCNQLFD-QHCPKHFHSA-N 1 1 507.606 5.790 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@H](O)COC(C)(C)C)c1Oc1ccc(F)cc1 ZINC000036307513 554216466 /nfs/dbraw/zinc/21/64/66/554216466.db2.gz GQDUNIHBCNQLFD-QHCPKHFHSA-N 1 1 507.606 5.790 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036313702 554218784 /nfs/dbraw/zinc/21/87/84/554218784.db2.gz WARVGSLSCXFBEQ-BDYUSTAISA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036313702 554218786 /nfs/dbraw/zinc/21/87/86/554218786.db2.gz WARVGSLSCXFBEQ-BDYUSTAISA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036313683 554218813 /nfs/dbraw/zinc/21/88/13/554218813.db2.gz PSLGIHCJIOLPNM-BDYUSTAISA-N 1 1 507.675 5.386 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036313683 554218810 /nfs/dbraw/zinc/21/88/10/554218810.db2.gz PSLGIHCJIOLPNM-BDYUSTAISA-N 1 1 507.675 5.386 50 0 KKAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@H](O)COCc1ccccc1 ZINC000036313066 554218889 /nfs/dbraw/zinc/21/88/89/554218889.db2.gz DIFHZIUDXDUUFQ-SQHAQQRYSA-N 1 1 507.675 5.137 50 0 KKAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@H](O)COCc1ccccc1 ZINC000036313067 554218977 /nfs/dbraw/zinc/21/89/77/554218977.db2.gz DIFHZIUDXDUUFQ-IGKIAQTJSA-N 1 1 507.675 5.137 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](Cc3ccco3)C[C@@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316015 554219695 /nfs/dbraw/zinc/21/96/95/554219695.db2.gz MXQWQWXGVFDISY-XMMPIXPASA-N 1 1 503.643 5.959 50 0 KKAAMO Cc1ccc(Oc2c(C[N@H+](Cc3ccco3)C[C@@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316015 554219698 /nfs/dbraw/zinc/21/96/98/554219698.db2.gz MXQWQWXGVFDISY-XMMPIXPASA-N 1 1 503.643 5.959 50 0 KKAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)cc1C ZINC000036340973 554220081 /nfs/dbraw/zinc/22/00/81/554220081.db2.gz MSIPSDZLYRSECA-GDLZYMKVSA-N 1 1 501.074 5.452 50 0 KKAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@@H]1c1ccccc1Cl ZINC000036340995 554220314 /nfs/dbraw/zinc/22/03/14/554220314.db2.gz RQYKUMGDPBAAEL-HHHXNRCGSA-N 1 1 507.465 5.489 50 0 KKAAMO CCOc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036343988 554222371 /nfs/dbraw/zinc/22/23/71/554222371.db2.gz WBZWLEFQJMBEDJ-WJOKGBTCSA-N 1 1 510.682 5.198 50 0 KKAAMO CCOc1ccc([C@@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344150 554222587 /nfs/dbraw/zinc/22/25/87/554222587.db2.gz BMTJVXLOFLZRFL-HKBQPEDESA-N 1 1 510.682 5.198 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000036345940 554223627 /nfs/dbraw/zinc/22/36/27/554223627.db2.gz UWYYHCRJUNLKNW-GDLZYMKVSA-N 1 1 511.666 6.071 50 0 KKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H](O)COCc1ccccc1 ZINC000036346050 554223669 /nfs/dbraw/zinc/22/36/69/554223669.db2.gz JTKQUIWZTZXMBU-AREMUKBSSA-N 1 1 503.618 5.902 50 0 KKAAMO COc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(OC)cc3)CC2)cc1 ZINC000036628312 554228510 /nfs/dbraw/zinc/22/85/10/554228510.db2.gz CTHICVJTQTWWMA-UHFFFAOYSA-N 1 1 519.605 5.067 50 0 KKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000036628543 554229202 /nfs/dbraw/zinc/22/92/02/554229202.db2.gz UGHVRRLYIKCUQX-UHFFFAOYSA-N 1 1 524.024 5.712 50 0 KKAAMO Cc1cccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000037524398 554250384 /nfs/dbraw/zinc/25/03/84/554250384.db2.gz MBWCVSFPSHMRRG-YTMVLYRLSA-N 1 1 508.628 7.028 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000038146811 554269886 /nfs/dbraw/zinc/26/98/86/554269886.db2.gz SKRXFKGFKFOOKW-JJDPYXMGSA-N 1 1 547.696 5.537 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(O)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000038148193 554270461 /nfs/dbraw/zinc/27/04/61/554270461.db2.gz IIQSJHUEZBTSAT-VMPREFPWSA-N 1 1 608.735 6.859 50 0 biogenic,in-vitro KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(C)cc3)cc2)CC1 ZINC000040387535 554283513 /nfs/dbraw/zinc/28/35/13/554283513.db2.gz XFGFADHUWQASJE-UHFFFAOYSA-N 1 1 511.695 5.621 50 0 KKAAMO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccccc1 ZINC000043883929 554300360 /nfs/dbraw/zinc/30/03/60/554300360.db2.gz REMYYYICRNOILH-CMSWSFRRSA-N 1 1 507.675 5.218 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccccc3C)CC2)cc1 ZINC000046853919 554320832 /nfs/dbraw/zinc/32/08/32/554320832.db2.gz RMKRKICTPGTYTJ-UHFFFAOYSA-N 1 1 547.659 5.522 50 0 KKAAMO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000049766990 554325578 /nfs/dbraw/zinc/32/55/78/554325578.db2.gz HRKFJRCDWJUEPA-QHCPKHFHSA-N 1 1 631.412 7.068 50 0 KKAAMO Cc1cccc(-n2c(SCc3ccc(OC(C)C)cc3)nc3sc4c(c3c2=O)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000053319118 554335904 /nfs/dbraw/zinc/33/59/04/554335904.db2.gz OCSVFXOVOKZJHJ-UHFFFAOYSA-N 1 1 567.780 7.393 50 0 KKAAMO Cc1cccc(-n2c(SCc3ccc(OC(C)C)cc3)nc3sc4c(c3c2=O)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000053319118 554335899 /nfs/dbraw/zinc/33/58/99/554335899.db2.gz OCSVFXOVOKZJHJ-UHFFFAOYSA-N 1 1 567.780 7.393 50 0 KKAAMO COc1ccc(OC)c(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000059652398 554419782 /nfs/dbraw/zinc/41/97/82/554419782.db2.gz ZTNIAWUNIHWJKX-UHFFFAOYSA-N 1 1 599.753 5.141 50 0 KKAAMO Cc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059796308 554430767 /nfs/dbraw/zinc/43/07/67/554430767.db2.gz HTVNOZMEKLYJJG-HSUBUAJGSA-N 1 1 513.597 5.163 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818129 554478507 /nfs/dbraw/zinc/47/85/07/554478507.db2.gz VLSNNUJMMMWVDF-PMACEKPBSA-N 1 1 594.828 6.322 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818129 554478508 /nfs/dbraw/zinc/47/85/08/554478508.db2.gz VLSNNUJMMMWVDF-PMACEKPBSA-N 1 1 594.828 6.322 50 0 KKAAMO COc1ccc([C@H](c2c(C)[nH]c3ccccc32)[NH+]2CCN([C@H](c3c(C)[nH]c4ccccc43)c3ccc(OC)cc3)CC2)cc1 ZINC000100868768 554497436 /nfs/dbraw/zinc/49/74/36/554497436.db2.gz YPTZLBMZADCDLD-MAZIBIHTSA-N 1 1 584.764 7.780 50 0 KKAAMO CCc1ccccc1Nc1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)c2ccccc2n1 ZINC000063473083 554509347 /nfs/dbraw/zinc/50/93/47/554509347.db2.gz CDFCBBKUNWRJDI-UHFFFAOYSA-N 1 1 514.073 5.746 50 0 KKAAMO O[C@@H](Cn1c2ccccc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997823 554538039 /nfs/dbraw/zinc/53/80/39/554538039.db2.gz VXASWNCNDAMJFB-CLJLJLNGSA-N 1 1 636.023 6.902 50 0 KKAAMO O[C@H](Cn1c2ccccc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997821 554538103 /nfs/dbraw/zinc/53/81/03/554538103.db2.gz VXASWNCNDAMJFB-UIOOFZCWSA-N 1 1 636.023 6.902 50 0 KKAAMO Cc1ccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100987434 554548673 /nfs/dbraw/zinc/54/86/73/554548673.db2.gz JMFMRYMHVVWDKJ-ZYTZQALASA-N 1 1 530.524 8.043 50 0 KKAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)NCc1ccc(C(F)(F)F)cc1 ZINC000101104782 554639683 /nfs/dbraw/zinc/63/96/83/554639683.db2.gz DOEOFFCYBNJQPU-UHFFFAOYSA-N 1 1 561.608 5.180 50 0 KKAAMO C[N@@H+](CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205616 554675630 /nfs/dbraw/zinc/67/56/30/554675630.db2.gz DBVANVNXSDDHHB-UXHMFTDJSA-N 1 1 634.777 5.149 50 0 biogenic KKAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254796 554695474 /nfs/dbraw/zinc/69/54/74/554695474.db2.gz QXQKUXWRKLZDRH-MGBGTMOVSA-N 1 1 643.854 5.413 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254837 554695498 /nfs/dbraw/zinc/69/54/98/554695498.db2.gz HRRJHFLXBYGZKG-WJOKGBTCSA-N 1 1 617.791 5.153 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254785 554695513 /nfs/dbraw/zinc/69/55/13/554695513.db2.gz GJSMFBIFWMGJEU-WJOKGBTCSA-N 1 1 599.801 5.014 50 0 KKAAMO O=C(C[C@@H]1C(=O)N(c2cccc(Cl)c2)C(=S)N1CCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254887 554695842 /nfs/dbraw/zinc/69/58/42/554695842.db2.gz OFHKWQNSBJRKHM-MUUNZHRXSA-N 1 1 610.611 5.532 50 0 KKAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101320560 554727912 /nfs/dbraw/zinc/72/79/12/554727912.db2.gz JTBDYVBUXVTORT-DARZMLDPSA-N 1 1 546.454 5.570 50 0 KKAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101320560 554727915 /nfs/dbraw/zinc/72/79/15/554727915.db2.gz JTBDYVBUXVTORT-DARZMLDPSA-N 1 1 546.454 5.570 50 0 KKAAMO CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)CC2)cc1 ZINC000101340999 554735313 /nfs/dbraw/zinc/73/53/13/554735313.db2.gz NMSYDVRHSNRGCB-GDLZYMKVSA-N 1 1 569.768 5.055 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000101341601 554735932 /nfs/dbraw/zinc/73/59/32/554735932.db2.gz ZUBFLAGZJNQECR-MYUZEXMDSA-N 1 1 596.577 5.453 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372243 554744686 /nfs/dbraw/zinc/74/46/86/554744686.db2.gz KXUSORJGNFQLRU-DQUMOPHBSA-N 1 1 541.667 6.177 50 0 KKAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3cccc(F)c3)C2=O)cc1 ZINC000101372438 554744924 /nfs/dbraw/zinc/74/49/24/554744924.db2.gz JMKMILZVRMRXNW-NVMPUMLXSA-N 1 1 611.117 5.998 50 0 KKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372654 554744992 /nfs/dbraw/zinc/74/49/92/554744992.db2.gz LAKUZTCMDQBXCB-MKFSCORGSA-N 1 1 557.735 6.889 50 0 KKAAMO CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc21 ZINC000101374463 554746086 /nfs/dbraw/zinc/74/60/86/554746086.db2.gz PRAOFSQLLSKSCR-USHMODERSA-N 1 1 598.666 5.896 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101382826 554748794 /nfs/dbraw/zinc/74/87/94/554748794.db2.gz AHFNMMAQBICXPE-CRJTYWNXSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101382826 554748795 /nfs/dbraw/zinc/74/87/95/554748795.db2.gz AHFNMMAQBICXPE-CRJTYWNXSA-N 1 1 556.062 5.452 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391720 554755488 /nfs/dbraw/zinc/75/54/88/554755488.db2.gz CSTFUZXEARCNQU-IAPPQJPRSA-N 1 1 549.900 5.759 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391695 554755554 /nfs/dbraw/zinc/75/55/54/554755554.db2.gz IQGLJKGZLRIGOW-IXCJQBJRSA-N 1 1 539.001 6.015 50 0 KKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(C(F)(F)F)cc1)C(=O)c1ccccc1S2 ZINC000101406970 554762191 /nfs/dbraw/zinc/76/21/91/554762191.db2.gz YDBKIQPKQSPWBG-JOCHJYFZSA-N 1 1 539.623 6.231 50 0 KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101416262 554765382 /nfs/dbraw/zinc/76/53/82/554765382.db2.gz JYEBJRKQXHXRCT-PSWAGMNNSA-N 1 1 573.759 5.394 50 0 KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@H+](C)C4CCCCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000101416410 554765458 /nfs/dbraw/zinc/76/54/58/554765458.db2.gz XVGGQIUBETULMH-UHFFFAOYSA-N 1 1 573.759 5.681 50 0 KKAAMO Cc1ccc(CN2c3ccccc3S[C@H]([C@H](C)C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000101434808 554771884 /nfs/dbraw/zinc/77/18/84/554771884.db2.gz LVCGIHKXKVYFCM-MUAVYFROSA-N 1 1 563.167 5.230 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)cc3)C2=O)c1 ZINC000101506340 554790175 /nfs/dbraw/zinc/79/01/75/554790175.db2.gz XTTQKHFKHXWBCB-GDTZSVFOSA-N 1 1 553.772 6.835 50 0 KKAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000101506351 554790196 /nfs/dbraw/zinc/79/01/96/554790196.db2.gz NUBFNOVXPUNYQG-SJIPCVTESA-N 1 1 555.788 7.225 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C\c1ccccc1)S2 ZINC000101507045 554790990 /nfs/dbraw/zinc/79/09/90/554790990.db2.gz PQNCFFTXZAKQAX-RZYVVUTRSA-N 1 1 553.772 7.059 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000101507060 554791188 /nfs/dbraw/zinc/79/11/88/554791188.db2.gz MLELMVZRPINDNJ-SSEXGKCCSA-N 1 1 589.777 5.546 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101510640 554792325 /nfs/dbraw/zinc/79/23/25/554792325.db2.gz LUAJHQPALGVMFU-CCPXWOOUSA-N 1 1 559.453 5.073 50 0 KKAAMO CC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)Nc5ccccc5C)CC4)n3c2)cc1 ZINC000101620078 554808564 /nfs/dbraw/zinc/80/85/64/554808564.db2.gz QFUAPWUSBNYZQD-UHFFFAOYSA-N 1 1 543.671 6.529 50 0 KKAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000101637390 554813352 /nfs/dbraw/zinc/81/33/52/554813352.db2.gz DPJLLSSNIAYHQV-BGDIREAQSA-N 1 1 620.794 6.443 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101670681 554824027 /nfs/dbraw/zinc/82/40/27/554824027.db2.gz XJLVLMXNMVHSMV-KIHHCIJBSA-N 1 1 582.376 5.622 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101670681 554824029 /nfs/dbraw/zinc/82/40/29/554824029.db2.gz XJLVLMXNMVHSMV-KIHHCIJBSA-N 1 1 582.376 5.622 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1 ZINC000101677120 554828040 /nfs/dbraw/zinc/82/80/40/554828040.db2.gz QEHSTCSMJKANMO-AREMUKBSSA-N 1 1 538.692 6.365 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)N(C)Cc2ccsc2)CC1 ZINC000101757987 554836259 /nfs/dbraw/zinc/83/62/59/554836259.db2.gz SNALUWNOVLQQAQ-LMSSTIIKSA-N 1 1 581.226 5.862 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)N(C)Cc2ccsc2)CC1 ZINC000101757987 554836263 /nfs/dbraw/zinc/83/62/63/554836263.db2.gz SNALUWNOVLQQAQ-LMSSTIIKSA-N 1 1 581.226 5.862 50 0 KKAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccc(C)cc3C)n2)C1 ZINC000101858012 554843974 /nfs/dbraw/zinc/84/39/74/554843974.db2.gz JAIAITOTRVQELT-SANMLTNESA-N 1 1 542.680 5.433 50 0 KKAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccc(C)cc3C)n2)C1 ZINC000101858012 554843975 /nfs/dbraw/zinc/84/39/75/554843975.db2.gz JAIAITOTRVQELT-SANMLTNESA-N 1 1 542.680 5.433 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101903794 554847783 /nfs/dbraw/zinc/84/77/83/554847783.db2.gz MHVVDBYKWIEBLG-AREMUKBSSA-N 1 1 597.579 5.199 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101903800 554847833 /nfs/dbraw/zinc/84/78/33/554847833.db2.gz MHVVDBYKWIEBLG-SANMLTNESA-N 1 1 597.579 5.199 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101904049 554848042 /nfs/dbraw/zinc/84/80/42/554848042.db2.gz OMWWCZQJFPGNIW-AREMUKBSSA-N 1 1 597.579 5.199 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000101903966 554848049 /nfs/dbraw/zinc/84/80/49/554848049.db2.gz ZIXAPYUCUBDXGX-AREMUKBSSA-N 1 1 553.128 5.090 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2Br)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000101916471 554850440 /nfs/dbraw/zinc/85/04/40/554850440.db2.gz ADTTUWIKIMWCHO-RUZDIDTESA-N 1 1 533.495 6.426 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2Br)[C@H](c2ccccc2)c2cccn2-3)C1 ZINC000101916471 554850443 /nfs/dbraw/zinc/85/04/43/554850443.db2.gz ADTTUWIKIMWCHO-RUZDIDTESA-N 1 1 533.495 6.426 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2OC)CC[N@H+](C)C4)c1 ZINC000101916554 554850468 /nfs/dbraw/zinc/85/04/68/554850468.db2.gz XZJBOXXQJWZLQW-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2OC)CC[N@@H+](C)C4)c1 ZINC000101916554 554850471 /nfs/dbraw/zinc/85/04/71/554850471.db2.gz XZJBOXXQJWZLQW-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(C[N@H+]2C[C@@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12 ZINC000101953935 554853024 /nfs/dbraw/zinc/85/30/24/554853024.db2.gz CEIPUCPLTDWGBJ-QCDSWUKFSA-N 1 1 585.749 5.478 50 0 KKAAMO CC(C)c1ccc(NC(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5cccc(C(F)(F)F)c5)cn43)CC2)cc1 ZINC000101976866 554862864 /nfs/dbraw/zinc/86/28/64/554862864.db2.gz NQZHMOYPEZPGFW-UHFFFAOYSA-N 1 1 597.685 8.160 50 0 KKAAMO COc1cc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](Cc3ccccc3)C5)cc2)cc(OC)c1OC ZINC000101975918 554862903 /nfs/dbraw/zinc/86/29/03/554862903.db2.gz YIHFBAAHIVGKBR-LJAQVGFWSA-N 1 1 585.682 5.980 50 0 KKAAMO COc1cc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](Cc3ccccc3)C5)cc2)cc(OC)c1OC ZINC000101975918 554862906 /nfs/dbraw/zinc/86/29/06/554862906.db2.gz YIHFBAAHIVGKBR-LJAQVGFWSA-N 1 1 585.682 5.980 50 0 KKAAMO Cc1ccsc1C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)[C@@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)C1 ZINC000102097056 554879720 /nfs/dbraw/zinc/87/97/20/554879720.db2.gz PAOFDPRIIUQEQT-BVAGGSTKSA-N 1 1 532.647 7.228 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102100759 554881550 /nfs/dbraw/zinc/88/15/50/554881550.db2.gz AUVAQWUFJGORMA-MUUNZHRXSA-N 1 1 618.553 7.116 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102100759 554881551 /nfs/dbraw/zinc/88/15/51/554881551.db2.gz AUVAQWUFJGORMA-MUUNZHRXSA-N 1 1 618.553 7.116 50 0 KKAAMO COc1ccc(-c2ccc(C(=O)N3CCC(Oc4ccc(C[N@@H+](C)Cc5ccc6ncccc6c5)cc4)CC3)o2)cc1 ZINC000102114992 554882859 /nfs/dbraw/zinc/88/28/59/554882859.db2.gz WWNLTEKZRJMBDG-UHFFFAOYSA-N 1 1 561.682 6.819 50 0 KKAAMO COc1cc(C[N@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1 ZINC000102143566 554888892 /nfs/dbraw/zinc/88/88/92/554888892.db2.gz PNIKLBBJXAAJED-FUFSCUOVSA-N 1 1 558.616 6.628 50 0 KKAAMO COc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc(OC)c1 ZINC000102143562 554888954 /nfs/dbraw/zinc/88/89/54/554888954.db2.gz PNIKLBBJXAAJED-PWUYWRBVSA-N 1 1 558.616 6.628 50 0 KKAAMO COc1ccc(C[N@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12 ZINC000102222708 554899354 /nfs/dbraw/zinc/89/93/54/554899354.db2.gz DYAXVRUNUJEMGB-XJFCNFDWSA-N 1 1 595.744 5.948 50 0 KKAAMO C[N@@H+](Cc1ccc(OC2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102449894 554931213 /nfs/dbraw/zinc/93/12/13/554931213.db2.gz NZSWZRNNFVKBDZ-UHFFFAOYSA-N 1 1 542.126 5.814 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2C)CC[N@H+](C)C4)cc1 ZINC000102499533 554941855 /nfs/dbraw/zinc/94/18/55/554941855.db2.gz VWQLIDWWRMALJE-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2C)CC[N@@H+](C)C4)cc1 ZINC000102499533 554941857 /nfs/dbraw/zinc/94/18/57/554941857.db2.gz VWQLIDWWRMALJE-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(Cl)c2)CC[N@H+](C)C4)cc1 ZINC000102499398 554941922 /nfs/dbraw/zinc/94/19/22/554941922.db2.gz RGOFZEKWZGSFKA-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(Cl)c2)CC[N@@H+](C)C4)cc1 ZINC000102499398 554941923 /nfs/dbraw/zinc/94/19/23/554941923.db2.gz RGOFZEKWZGSFKA-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)cc1OC ZINC000102499713 554942105 /nfs/dbraw/zinc/94/21/05/554942105.db2.gz AXRRQZJDAULYGL-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)cc1OC ZINC000102499713 554942109 /nfs/dbraw/zinc/94/21/09/554942109.db2.gz AXRRQZJDAULYGL-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)cc1 ZINC000102499777 554942216 /nfs/dbraw/zinc/94/22/16/554942216.db2.gz WDOURFRTQOJNME-MHZLTWQESA-N 1 1 533.097 6.716 50 0 KKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)cc1 ZINC000102499777 554942219 /nfs/dbraw/zinc/94/22/19/554942219.db2.gz WDOURFRTQOJNME-MHZLTWQESA-N 1 1 533.097 6.716 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)c1 ZINC000102499724 554942247 /nfs/dbraw/zinc/94/22/47/554942247.db2.gz WKKMMEWVSAUYTQ-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)c1 ZINC000102499724 554942249 /nfs/dbraw/zinc/94/22/49/554942249.db2.gz WKKMMEWVSAUYTQ-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCCO4)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499838 554942604 /nfs/dbraw/zinc/94/26/04/554942604.db2.gz FKBOQJHUSFVTAW-MHZLTWQESA-N 1 1 547.080 6.088 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCCO4)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499838 554942608 /nfs/dbraw/zinc/94/26/08/554942608.db2.gz FKBOQJHUSFVTAW-MHZLTWQESA-N 1 1 547.080 6.088 50 0 KKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(Cl)c1)C[N@@H+](C)CC3 ZINC000102500328 554942856 /nfs/dbraw/zinc/94/28/56/554942856.db2.gz GWJPMPYUGWOZPH-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(Cl)c1)C[N@H+](C)CC3 ZINC000102500328 554942858 /nfs/dbraw/zinc/94/28/58/554942858.db2.gz GWJPMPYUGWOZPH-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c(OC)c1 ZINC000102500309 554942885 /nfs/dbraw/zinc/94/28/85/554942885.db2.gz HWUQQRRZJDTPNL-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c(OC)c1 ZINC000102500309 554942886 /nfs/dbraw/zinc/94/28/86/554942886.db2.gz HWUQQRRZJDTPNL-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO COC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c1 ZINC000102500354 554942915 /nfs/dbraw/zinc/94/29/15/554942915.db2.gz LEJFJZUHFRTODN-AREMUKBSSA-N 1 1 547.080 6.104 50 0 KKAAMO COC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c1 ZINC000102500354 554942918 /nfs/dbraw/zinc/94/29/18/554942918.db2.gz LEJFJZUHFRTODN-AREMUKBSSA-N 1 1 547.080 6.104 50 0 KKAAMO C[N@@H+](Cc1ccc(OC2CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102592925 554974422 /nfs/dbraw/zinc/97/44/22/554974422.db2.gz ABLSAEDFRIFMQA-UHFFFAOYSA-N 1 1 559.685 7.357 50 0 KKAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1N1CCc2cc(OC)c(OC)cc2C1 ZINC000102593320 554974743 /nfs/dbraw/zinc/97/47/43/554974743.db2.gz LIQQZQZDJAVWIJ-QCENPCRXSA-N 1 1 558.719 5.485 50 0 KKAAMO COC(=O)CC[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1[N@@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000102593320 554974746 /nfs/dbraw/zinc/97/47/46/554974746.db2.gz LIQQZQZDJAVWIJ-QCENPCRXSA-N 1 1 558.719 5.485 50 0 KKAAMO COC(=O)CC[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2)CC[C@H]1[N@H+]1CCc2cc(OC)c(OC)cc2C1 ZINC000102593320 554974748 /nfs/dbraw/zinc/97/47/48/554974748.db2.gz LIQQZQZDJAVWIJ-QCENPCRXSA-N 1 1 558.719 5.485 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000102618504 554985511 /nfs/dbraw/zinc/98/55/11/554985511.db2.gz YXZDDCHXXFNTIS-UZNNEEJFSA-N 1 1 596.791 5.943 50 0 KKAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)N2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000102618504 554985513 /nfs/dbraw/zinc/98/55/13/554985513.db2.gz YXZDDCHXXFNTIS-UZNNEEJFSA-N 1 1 596.791 5.943 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000102661949 555000701 /nfs/dbraw/zinc/00/07/01/555000701.db2.gz BGLJFUADGXHCHS-SSEXGKCCSA-N 1 1 565.799 5.409 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1 ZINC000102661976 555000774 /nfs/dbraw/zinc/00/07/74/555000774.db2.gz LWOYYHVMOCKPJU-WJOKGBTCSA-N 1 1 585.789 5.815 50 0 KKAAMO COc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000102663608 555001195 /nfs/dbraw/zinc/00/11/95/555001195.db2.gz FPEDYRLYOQPEPJ-JYFHCDHNSA-N 1 1 544.589 6.325 50 0 KKAAMO Cc1cccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5Cl)CC4)cc3)Sc3ccccc32)c1 ZINC000102743991 555035010 /nfs/dbraw/zinc/03/50/10/555035010.db2.gz IEFDONZGCMATMP-KVQDIILNSA-N 1 1 637.249 7.271 50 0 KKAAMO CCCC[N@@H+](CC)CCCNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000102768269 555056077 /nfs/dbraw/zinc/05/60/77/555056077.db2.gz BBPYEIAHDSWTSZ-XIEYBQDHSA-N 1 1 560.558 5.566 50 0 KKAAMO Cc1ccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3)Sc3ccccc32)cc1 ZINC000102770484 555057940 /nfs/dbraw/zinc/05/79/40/555057940.db2.gz XXQDVNVTCQAEIY-PPFNPFNJSA-N 1 1 623.222 6.880 50 0 KKAAMO Cc1ccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc3)Oc3ccccc32)cc1 ZINC000102770306 555058032 /nfs/dbraw/zinc/05/80/32/555058032.db2.gz YQKJUODBCPZPFC-KVQDIILNSA-N 1 1 604.726 6.043 50 0 KKAAMO CCOc1ccc(NC(=S)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000102773630 555062281 /nfs/dbraw/zinc/06/22/81/555062281.db2.gz COUYDQWWYRAEEM-UHFFFAOYSA-N 1 1 553.216 7.442 50 0 KKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000102780073 555065332 /nfs/dbraw/zinc/06/53/32/555065332.db2.gz CLLZPIUZJCWBOZ-MJHSOURCSA-N 1 1 532.109 6.234 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000102783206 555066631 /nfs/dbraw/zinc/06/66/31/555066631.db2.gz RLEWRWPWBMAVGT-CNPBRJSLSA-N 1 1 546.667 5.983 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000102783206 555066632 /nfs/dbraw/zinc/06/66/32/555066632.db2.gz RLEWRWPWBMAVGT-CNPBRJSLSA-N 1 1 546.667 5.983 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000102783202 555066650 /nfs/dbraw/zinc/06/66/50/555066650.db2.gz RLEWRWPWBMAVGT-STCQLREZSA-N 1 1 546.667 5.983 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000102783202 555066651 /nfs/dbraw/zinc/06/66/51/555066651.db2.gz RLEWRWPWBMAVGT-STCQLREZSA-N 1 1 546.667 5.983 50 0 KKAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3)CC1 ZINC000102784694 555067234 /nfs/dbraw/zinc/06/72/34/555067234.db2.gz JOHAPJLGHIJMJQ-UHFFFAOYSA-N 1 1 549.140 5.409 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)Nc3cccc4ccccc43)cc2S(=O)(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000102823127 555077228 /nfs/dbraw/zinc/07/72/28/555077228.db2.gz XZYDWORBEPLSKA-QHCPKHFHSA-N 1 1 557.720 5.665 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@H](C)C2)cc1 ZINC000102839263 555080737 /nfs/dbraw/zinc/08/07/37/555080737.db2.gz SPPIQBDUWZMYLC-HRFSGMKKSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@H](C)C2)cc1 ZINC000102839263 555080740 /nfs/dbraw/zinc/08/07/40/555080740.db2.gz SPPIQBDUWZMYLC-HRFSGMKKSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102840027 555081300 /nfs/dbraw/zinc/08/13/00/555081300.db2.gz RFSYZUIEKFFPTC-AFMDSPMNSA-N 1 1 542.532 5.684 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102842277 555082815 /nfs/dbraw/zinc/08/28/15/555082815.db2.gz GUVZXHYANLFRBZ-SANMLTNESA-N 1 1 528.505 5.295 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102842277 555082817 /nfs/dbraw/zinc/08/28/17/555082817.db2.gz GUVZXHYANLFRBZ-SANMLTNESA-N 1 1 528.505 5.295 50 0 KKAAMO COc1ccc(-c2nc(N3CC[NH+](Cc4ccc(Cl)cc4)CC3)nc3nn(-c4ccc(OC)cc4)c(N)c32)cc1 ZINC000103016332 555209612 /nfs/dbraw/zinc/20/96/12/555209612.db2.gz ZKFRFGCXOCGFIM-UHFFFAOYSA-N 1 1 556.070 5.058 50 0 KKAAMO O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103035485 555222560 /nfs/dbraw/zinc/22/25/60/555222560.db2.gz FNKKHGKDGATKLO-SSEXGKCCSA-N 1 1 538.091 6.135 50 0 KKAAMO CSc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103040096 555224606 /nfs/dbraw/zinc/22/46/06/555224606.db2.gz KBOITOQUUWEKPB-MMTVBGGISA-N 1 1 552.741 5.712 50 0 KKAAMO O=C(c1cccnc1Oc1ccc(Cl)cc1)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000103080116 555258789 /nfs/dbraw/zinc/25/87/89/555258789.db2.gz FYWOHDZQFKCVQY-UHFFFAOYSA-N 1 1 610.969 7.788 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000103133672 555303337 /nfs/dbraw/zinc/30/33/37/555303337.db2.gz OEQBNYFXVKTZDM-WJOKGBTCSA-N 1 1 545.749 5.558 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000103133672 555303340 /nfs/dbraw/zinc/30/33/40/555303340.db2.gz OEQBNYFXVKTZDM-WJOKGBTCSA-N 1 1 545.749 5.558 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](CCOC)C[C@@H](O)COCc1ccccc1 ZINC000103148666 555315275 /nfs/dbraw/zinc/31/52/75/555315275.db2.gz ZBEZDTMWWMXJOG-HHHXNRCGSA-N 1 1 545.680 5.262 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](CCOC)C[C@@H](O)COCc1ccccc1 ZINC000103148666 555315278 /nfs/dbraw/zinc/31/52/78/555315278.db2.gz ZBEZDTMWWMXJOG-HHHXNRCGSA-N 1 1 545.680 5.262 50 0 KKAAMO CCn1cc([C@@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000103192697 555333888 /nfs/dbraw/zinc/33/38/88/555333888.db2.gz TVPWPSBGGGUBBX-UMSFTDKQSA-N 1 1 587.764 7.134 50 0 KKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000103313633 555358387 /nfs/dbraw/zinc/35/83/87/555358387.db2.gz OGYHAFLRQKSIBR-RPWUZVMVSA-N 1 1 533.883 6.220 50 0 KKAAMO CO[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3c(-c4ccc(C)cc4)nc4ccc(-c5ccccc5Cl)cn43)CC2)C1 ZINC000103372872 555367711 /nfs/dbraw/zinc/36/77/11/555367711.db2.gz GEMCPGHCOXEHRM-XNMGPUDCSA-N 1 1 557.138 6.480 50 0 KKAAMO O=C(Cc1ccc(F)cc1)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cc5ccccc5s4)cn32)CC1 ZINC000103398250 555384626 /nfs/dbraw/zinc/38/46/26/555384626.db2.gz VTRZOECHWKDXGX-UHFFFAOYSA-N 1 1 560.698 6.909 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccco3)n2-c2cccc(C(F)(F)F)c2)CC1 ZINC000103399935 555386082 /nfs/dbraw/zinc/38/60/82/555386082.db2.gz ZLLXGZBPUODRJI-UHFFFAOYSA-N 1 1 541.599 5.616 50 0 KKAAMO C[C@H](c1ccccc1)N(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000103404463 555390976 /nfs/dbraw/zinc/39/09/76/555390976.db2.gz VZSCUFKYANCMJS-NJKJTMACSA-N 1 1 604.839 7.052 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2cccc(Oc3ccccc3)c2)CC1 ZINC000103418973 555399061 /nfs/dbraw/zinc/39/90/61/555399061.db2.gz DFMSXAAXROGKLK-UMSFTDKQSA-N 1 1 557.738 7.476 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000103419262 555399641 /nfs/dbraw/zinc/39/96/41/555399641.db2.gz KLINCHZVHSBHHF-UMSFTDKQSA-N 1 1 601.791 7.272 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000103420696 555401023 /nfs/dbraw/zinc/40/10/23/555401023.db2.gz RZCVMPUNWJCHDK-DHUJRADRSA-N 1 1 571.765 7.263 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cccc(Oc3ccccc3)c2)CC1 ZINC000103420683 555401068 /nfs/dbraw/zinc/40/10/68/555401068.db2.gz WAMKEANEESGTPF-MGBGTMOVSA-N 1 1 561.701 7.307 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000103420687 555401147 /nfs/dbraw/zinc/40/11/47/555401147.db2.gz MQESRLYRROMYAB-XIFFEERXSA-N 1 1 587.764 6.963 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2cccc(Oc3ccccc3)c2)CC1 ZINC000103421112 555401856 /nfs/dbraw/zinc/40/18/56/555401856.db2.gz HNTQXBAUDKSWQE-MGBGTMOVSA-N 1 1 543.711 7.168 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)Cc4ccc(F)cc4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000103421329 555401989 /nfs/dbraw/zinc/40/19/89/555401989.db2.gz OKGSESZNKBIHEW-UHFFFAOYSA-N 1 1 554.710 6.085 50 0 KKAAMO Cc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2C[NH+]2CCN(C(=O)Cc3ccc(F)cc3)CC2)cc1 ZINC000103427370 555408718 /nfs/dbraw/zinc/40/87/18/555408718.db2.gz KFTSUMRJAUWVDW-UHFFFAOYSA-N 1 1 553.081 6.656 50 0 KKAAMO COc1ccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccc(OC(F)F)cc4)[C@H](c4ccc(OC(F)F)cc4)N23)cc1 ZINC000103561391 555448986 /nfs/dbraw/zinc/44/89/86/555448986.db2.gz GJVJXWVYDNIBCS-NKVKBKOUSA-N 1 1 609.645 7.639 50 0 KKAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000230067007 562881053 /nfs/dbraw/zinc/88/10/53/562881053.db2.gz CBKPNMDLZXYGLC-KYJUHHDHSA-N 1 1 531.672 5.553 50 0 KKAAMO CC(C)Oc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(Cl)cc3Cl)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101671503 571361353 /nfs/dbraw/zinc/36/13/53/571361353.db2.gz BLXYGJVFQUASDY-UOWMXVQPSA-N 1 1 623.536 7.762 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)c(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103287969 571361436 /nfs/dbraw/zinc/36/14/36/571361436.db2.gz FRFQVSQWJGZNEN-HDHDNLQWSA-N 1 1 614.698 6.474 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000103528268 571361721 /nfs/dbraw/zinc/36/17/21/571361721.db2.gz KOWNEUAZNSISRI-CYPQMOBWSA-N 1 1 584.672 6.464 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(Br)c1)C3=O ZINC000104147866 571375387 /nfs/dbraw/zinc/37/53/87/571375387.db2.gz URMPANRMSSDWFV-ITOWZWGRSA-N 1 1 595.582 5.311 50 0 KKAAMO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104920869 571387941 /nfs/dbraw/zinc/38/79/41/571387941.db2.gz XCNDMYKLQOKWQU-AOYPEHQESA-N 1 1 513.629 5.031 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105041314 571390138 /nfs/dbraw/zinc/39/01/38/571390138.db2.gz RVLBJJXCIDMPPN-HVNZXBJASA-N 1 1 502.649 6.964 50 0 KKAAMO Cc1ccsc1C[N@H+]1C[C@@H](CN(C(=O)c2ccc(F)cc2)C2CCCCC2)[C@@H](c2ccccc2C)C1 ZINC000105041688 571390248 /nfs/dbraw/zinc/39/02/48/571390248.db2.gz BAKHWBNRVAEMGS-SVEHJYQDSA-N 1 1 504.715 7.195 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000105042575 571390358 /nfs/dbraw/zinc/39/03/58/571390358.db2.gz RDXPOVJIZRZKQZ-LBNVMWSVSA-N 1 1 512.591 6.919 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@]2(C)C(=O)NC2CCCCCC2)C1 ZINC000105458702 571404935 /nfs/dbraw/zinc/40/49/35/571404935.db2.gz NOLXMBAQGGRIEN-DUELTEGESA-N 1 1 508.707 5.170 50 0 KKAAMO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(CCC)cc4)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc1 ZINC000150388801 571471130 /nfs/dbraw/zinc/47/11/30/571471130.db2.gz WNQLACISWSJHBG-UHFFFAOYSA-N 1 1 679.776 10.111 50 0 KKAAMO CC[C@@H](c1nnc(SCC(=O)Nc2c(I)cc(I)cc2I)n1-c1ccccc1)[NH+](C)C ZINC000150502147 571518953 /nfs/dbraw/zinc/51/89/53/571518953.db2.gz BNLSXWGPFPQCOJ-KRWDZBQOSA-N 1 1 773.220 5.825 50 0 KKAAMO CC[C@H](c1nnc(SCC(=O)Nc2c(I)cc(I)cc2I)n1-c1ccccc1)[NH+](C)C ZINC000150502151 571519005 /nfs/dbraw/zinc/51/90/05/571519005.db2.gz BNLSXWGPFPQCOJ-QGZVFWFLSA-N 1 1 773.220 5.825 50 0 KKAAMO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000158988158 571529933 /nfs/dbraw/zinc/52/99/33/571529933.db2.gz NSLBTBGUFUPTCR-CLJLJLNGSA-N 1 1 759.370 7.774 50 0 KKAAMO O=C(NCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677609 571555064 /nfs/dbraw/zinc/55/50/64/571555064.db2.gz GIMKUDMQJZCYDI-AHWVRZQESA-N 1 1 513.991 5.538 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000169677362 571555116 /nfs/dbraw/zinc/55/51/16/571555116.db2.gz YLZIQSUTTBYZCN-YUDQIZAISA-N 1 1 515.723 5.411 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000169677362 571555117 /nfs/dbraw/zinc/55/51/17/571555117.db2.gz YLZIQSUTTBYZCN-YUDQIZAISA-N 1 1 515.723 5.411 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169677824 571555420 /nfs/dbraw/zinc/55/54/20/571555420.db2.gz JWQYFHKDUTVCAY-JHOBJCJYSA-N 1 1 529.750 5.675 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169677824 571555421 /nfs/dbraw/zinc/55/54/21/571555421.db2.gz JWQYFHKDUTVCAY-JHOBJCJYSA-N 1 1 529.750 5.675 50 0 KKAAMO COc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)ccc1O ZINC000169678925 571556119 /nfs/dbraw/zinc/55/61/19/571556119.db2.gz SCGLQMVMNRDULQ-YZNIXAGQSA-N 1 1 530.684 6.539 50 0 KKAAMO COc1cccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)c1 ZINC000169679802 571556563 /nfs/dbraw/zinc/55/65/63/571556563.db2.gz STXAROWYFGXHNX-UCGGBYDDSA-N 1 1 514.685 6.833 50 0 KKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@@H]1C ZINC000169680836 571556893 /nfs/dbraw/zinc/55/68/93/571556893.db2.gz HNWYPQMPLZHZNV-CAQRMWTPSA-N 1 1 590.809 7.236 50 0 KKAAMO CC(C)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000220973546 571604174 /nfs/dbraw/zinc/60/41/74/571604174.db2.gz WWRJBBGGFSRXJO-JEAUEKKMSA-N 1 1 507.763 5.680 50 0 KKAAMO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@@H](CC(C)C)C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263585779 572120605 /nfs/dbraw/zinc/12/06/05/572120605.db2.gz MINXMYCTIBZHJO-UPDCLGQQSA-N 1 1 648.845 5.070 50 0 KKAAMO O=C(CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)CCC2 ZINC000299771504 572135418 /nfs/dbraw/zinc/13/54/18/572135418.db2.gz PPCXZPQLVLVUOL-GMCHKSTQSA-N 1 1 591.722 6.021 50 0 KKAAMO O=C(CC[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc2c(c1)CCC2 ZINC000299771504 572135421 /nfs/dbraw/zinc/13/54/21/572135421.db2.gz PPCXZPQLVLVUOL-GMCHKSTQSA-N 1 1 591.722 6.021 50 0 KKAAMO O=C(COc1ccc(-c2ncccn2)cc1C[N@H+]1CCc2ccccc2C1)N1CCC[C@H](c2ccccc2)CC1 ZINC000299781973 572136268 /nfs/dbraw/zinc/13/62/68/572136268.db2.gz VDKPDWXMGHWMQB-MHZLTWQESA-N 1 1 532.688 5.877 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000227711380 572153967 /nfs/dbraw/zinc/15/39/67/572153967.db2.gz OEVANWWTRPIGRR-OALUTQOASA-N 1 1 596.800 5.453 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000227711380 572153970 /nfs/dbraw/zinc/15/39/70/572153970.db2.gz OEVANWWTRPIGRR-OALUTQOASA-N 1 1 596.800 5.453 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229607607 572155873 /nfs/dbraw/zinc/15/58/73/572155873.db2.gz AHFNMMAQBICXPE-RTXLYREFSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229607607 572155877 /nfs/dbraw/zinc/15/58/77/572155877.db2.gz AHFNMMAQBICXPE-RTXLYREFSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229642665 572159147 /nfs/dbraw/zinc/15/91/47/572159147.db2.gz SNYJBURTIYPEDF-RTXLYREFSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229642665 572159149 /nfs/dbraw/zinc/15/91/49/572159149.db2.gz SNYJBURTIYPEDF-RTXLYREFSA-N 1 1 556.062 5.452 50 0 KKAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CC[C@H](c5ccc(F)cc5)[C@@H](COc5ccc6c(c5)OCO6)C4)[C@H]3C=C12 ZINC000229990695 572176980 /nfs/dbraw/zinc/17/69/80/572176980.db2.gz JIVVYSVNBXXPDE-YFEJKJEYSA-N 1 1 561.694 6.353 50 0 biogenic KKAAMO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230076639 572182692 /nfs/dbraw/zinc/18/26/92/572182692.db2.gz UPJCCALPMBAUFV-NSOVKSMOSA-N 1 1 503.712 5.713 50 0 KKAAMO CCCC[N@@H+](CCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077066 572182703 /nfs/dbraw/zinc/18/27/03/572182703.db2.gz ALWRIKVPWYIDRQ-SXOMAYOGSA-N 1 1 507.700 5.696 50 0 KKAAMO COc1cccc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)c1 ZINC000230156028 572184371 /nfs/dbraw/zinc/18/43/71/572184371.db2.gz XUOSCCOZUPEBSV-YWEHKCAJSA-N 1 1 528.590 6.620 50 0 KKAAMO CN(C)[C@H](C[N@@H+](C[C@H](O)CO[C@@H]1CCCc2ccccc21)C[C@H](O)CO[C@H]1CCCc2ccccc21)c1ccco1 ZINC000245225345 572202374 /nfs/dbraw/zinc/20/23/74/572202374.db2.gz SPNBKVUSSNSXEI-SXZSRNETSA-N 1 1 562.751 5.095 50 0 KKAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)C[C@@H]2C)c1 ZINC000245228530 572205434 /nfs/dbraw/zinc/20/54/34/572205434.db2.gz JGNGLITYQVEAHL-FXZLDBAYSA-N 1 1 570.803 5.997 50 0 KKAAMO COc1cc(C[N@H+]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)cc(OC)c1 ZINC000245279512 572224081 /nfs/dbraw/zinc/22/40/81/572224081.db2.gz GQFCRXRYAJLBCZ-HOFKKMOUSA-N 1 1 512.572 5.992 50 0 KKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245279054 572224260 /nfs/dbraw/zinc/22/42/60/572224260.db2.gz BANXZYFKGPGFNK-NVQXNPDNSA-N 1 1 501.568 5.949 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000245343192 572237672 /nfs/dbraw/zinc/23/76/72/572237672.db2.gz HSCHHAAYXUKTPQ-UZTOHYMASA-N 1 1 574.644 6.008 50 0 KKAAMO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247490897 572242430 /nfs/dbraw/zinc/24/24/30/572242430.db2.gz MMMBVLQYOTVKMC-GOSISDBHSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247470214 572242462 /nfs/dbraw/zinc/24/24/62/572242462.db2.gz FBFWPZJUHGZELD-UHFFFAOYSA-N 1 1 551.916 6.012 50 0 KKAAMO O=C(NCc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247496641 572242567 /nfs/dbraw/zinc/24/25/67/572242567.db2.gz OJULPNNZVZVZOL-HXUWFJFHSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(NCc1ccccc1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247524210 572242857 /nfs/dbraw/zinc/24/28/57/572242857.db2.gz YTLHLQORJMVPHZ-QFIPXVFZSA-N 1 1 507.465 5.920 50 0 KKAAMO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247720644 572243842 /nfs/dbraw/zinc/24/38/42/572243842.db2.gz AFFDGHSTNVOXTN-DEOSSOPVSA-N 1 1 509.053 6.742 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247755530 572244792 /nfs/dbraw/zinc/24/47/92/572244792.db2.gz XARIFNHSPKGMKM-UHFFFAOYSA-N 1 1 526.990 6.608 50 0 KKAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000247791864 572245042 /nfs/dbraw/zinc/24/50/42/572245042.db2.gz AKHGNWBBJAOZFH-UHFFFAOYSA-N 1 1 594.518 5.668 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000247804990 572245089 /nfs/dbraw/zinc/24/50/89/572245089.db2.gz AFXPRZHWFBLSGC-UHFFFAOYSA-N 1 1 627.414 6.656 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247807914 572245287 /nfs/dbraw/zinc/24/52/87/572245287.db2.gz CISIYSQRBAOILC-SANMLTNESA-N 1 1 547.187 7.444 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247846350 572246097 /nfs/dbraw/zinc/24/60/97/572246097.db2.gz HGLZNIXDIKSBFG-SSEXGKCCSA-N 1 1 648.649 6.934 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247847207 572246351 /nfs/dbraw/zinc/24/63/51/572246351.db2.gz HKVKIARSJWROSW-HSZRJFAPSA-N 1 1 580.535 6.091 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247853219 572246381 /nfs/dbraw/zinc/24/63/81/572246381.db2.gz JKXFPPGWHNPMKK-UHFFFAOYSA-N 1 1 594.504 5.627 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247862331 572246916 /nfs/dbraw/zinc/24/69/16/572246916.db2.gz NADPNDWLHOFCLR-NRFANRHFSA-N 1 1 533.598 5.004 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247868426 572247149 /nfs/dbraw/zinc/24/71/49/572247149.db2.gz PPUDDIXEGOGHDU-OAQYLSRUSA-N 1 1 566.508 6.032 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247870902 572247238 /nfs/dbraw/zinc/24/72/38/572247238.db2.gz QOOKZSPZWKPEJC-NRFANRHFSA-N 1 1 594.504 5.627 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247876010 572247583 /nfs/dbraw/zinc/24/75/83/572247583.db2.gz TWVVAIDTKZATTP-DEOSSOPVSA-N 1 1 562.545 5.952 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247879918 572247817 /nfs/dbraw/zinc/24/78/17/572247817.db2.gz VGURLSAZYRXRIZ-OAQYLSRUSA-N 1 1 610.959 6.141 50 0 KKAAMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c(C)c1 ZINC000247876259 572247981 /nfs/dbraw/zinc/24/79/81/572247981.db2.gz ONLVXUZMKTUAIB-NRFANRHFSA-N 1 1 517.471 6.256 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247877830 572248116 /nfs/dbraw/zinc/24/81/16/572248116.db2.gz UNBFEPGUCWDJKK-NRFANRHFSA-N 1 1 610.959 6.141 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4cccc(Cl)c4Cl)CC3)nc3ccccc32)cc1 ZINC000247882505 572248266 /nfs/dbraw/zinc/24/82/66/572248266.db2.gz JSACUSRCUPHJCJ-UHFFFAOYSA-N 1 1 523.464 6.251 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c(C)c1 ZINC000247889733 572248279 /nfs/dbraw/zinc/24/82/79/572248279.db2.gz UWNPSUUQEKKVKV-ROXDYWFKSA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)c(C)c1 ZINC000247889733 572248280 /nfs/dbraw/zinc/24/82/80/572248280.db2.gz UWNPSUUQEKKVKV-ROXDYWFKSA-N 1 1 531.534 5.476 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247885217 572248342 /nfs/dbraw/zinc/24/83/42/572248342.db2.gz WUSBQMQWWKWECT-UHFFFAOYSA-N 1 1 532.063 5.379 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccc(F)c(Cl)c5)CC4)CC3)nc3ccccc32)cc1 ZINC000247890730 572248753 /nfs/dbraw/zinc/24/87/53/572248753.db2.gz MOKBRJYNTXAVFA-UHFFFAOYSA-N 1 1 576.116 5.447 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247894701 572248763 /nfs/dbraw/zinc/24/87/63/572248763.db2.gz OCURNWWJNVRTRC-XIFFEERXSA-N 1 1 613.806 6.239 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c(C)c1 ZINC000247899965 572248912 /nfs/dbraw/zinc/24/89/12/572248912.db2.gz YYXBDPLOLUMWHF-RUZDIDTESA-N 1 1 586.578 5.966 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4ccc(F)c(Cl)c4)CC3)nc3ccccc32)cc1 ZINC000247924243 572249478 /nfs/dbraw/zinc/24/94/78/572249478.db2.gz YUQKEWJDMWUQQG-UHFFFAOYSA-N 1 1 507.009 5.736 50 0 KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12C(=O)Nc1ccccc12 ZINC000247946341 572250301 /nfs/dbraw/zinc/25/03/01/572250301.db2.gz WPPQNQIKKSVHIQ-QGTOFTNVSA-N 1 1 548.042 5.816 50 0 KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12C(=O)Nc1ccccc12 ZINC000247946341 572250302 /nfs/dbraw/zinc/25/03/02/572250302.db2.gz WPPQNQIKKSVHIQ-QGTOFTNVSA-N 1 1 548.042 5.816 50 0 KKAAMO CC(C)N(C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000247972664 572251294 /nfs/dbraw/zinc/25/12/94/572251294.db2.gz DPQWSEXWSCVMDM-MKYKQAKUSA-N 1 1 524.627 5.875 50 0 KKAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247989278 572251566 /nfs/dbraw/zinc/25/15/66/572251566.db2.gz LULIRUGBZXRONU-FQEVSTJZSA-N 1 1 503.444 5.947 50 0 KKAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000247996691 572251572 /nfs/dbraw/zinc/25/15/72/572251572.db2.gz DCDZBOZBYSWDEO-LMSSTIIKSA-N 1 1 518.583 5.670 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1 ZINC000247988391 572251638 /nfs/dbraw/zinc/25/16/38/572251638.db2.gz JJRCCTFTUSETBN-HXUWFJFHSA-N 1 1 542.511 5.121 50 0 KKAAMO Cc1cccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)c1 ZINC000248056524 572252954 /nfs/dbraw/zinc/25/29/54/572252954.db2.gz CEWAAOKDMKQCRY-RUZDIDTESA-N 1 1 501.074 5.617 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)CC3)CC2)c1 ZINC000248101213 572253599 /nfs/dbraw/zinc/25/35/99/572253599.db2.gz JTKZORXSHAVHBH-UHFFFAOYSA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2c2ccccc2)cc1 ZINC000248111157 572253740 /nfs/dbraw/zinc/25/37/40/572253740.db2.gz NUXSDKUBJGTUSZ-PXJZQJOASA-N 1 1 508.628 7.028 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)CC3)CC2)cc1 ZINC000248111076 572253788 /nfs/dbraw/zinc/25/37/88/572253788.db2.gz NRMYMCZKNRPBIA-UHFFFAOYSA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000248126167 572254474 /nfs/dbraw/zinc/25/44/74/572254474.db2.gz UWHGQZGOXKYVSK-DEOSSOPVSA-N 1 1 511.645 5.034 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1C ZINC000248153962 572255799 /nfs/dbraw/zinc/25/57/99/572255799.db2.gz KXGNXBCVZSIKDM-VWLOTQADSA-N 1 1 586.578 5.966 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248163402 572256177 /nfs/dbraw/zinc/25/61/77/572256177.db2.gz QBXBPMJJFOTNIV-NOQOKTLNSA-N 1 1 516.622 6.038 50 0 KKAAMO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000248176419 572256274 /nfs/dbraw/zinc/25/62/74/572256274.db2.gz ZETCPQCBERLETD-UHFFFAOYSA-N 1 1 517.471 5.625 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)CC3)CC2)cc1C ZINC000248175849 572256317 /nfs/dbraw/zinc/25/63/17/572256317.db2.gz ZANLKOMTSOLPBX-UHFFFAOYSA-N 1 1 586.578 5.966 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248249754 572257120 /nfs/dbraw/zinc/25/71/20/572257120.db2.gz RVTLWFPADAOMIX-LSYYVWMOSA-N 1 1 562.598 7.738 50 0 KKAAMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262279 572257532 /nfs/dbraw/zinc/25/75/32/572257532.db2.gz RCSJLSWMZMUQPD-RBBKRZOGSA-N 1 1 517.471 5.877 50 0 KKAAMO CCc1ccccc1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000252008449 572259738 /nfs/dbraw/zinc/25/97/38/572259738.db2.gz QMCDDCGAUSASJF-UHFFFAOYSA-N 1 1 517.471 6.201 50 0 KKAAMO CCc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000252007405 572259790 /nfs/dbraw/zinc/25/97/90/572259790.db2.gz PQYGQNYRYYTAHV-OAQYLSRUSA-N 1 1 517.471 6.201 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000252257109 572260032 /nfs/dbraw/zinc/26/00/32/572260032.db2.gz MXTDDQFIHPJAEE-AREMUKBSSA-N 1 1 539.699 5.678 50 0 KKAAMO CCCc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)cc1 ZINC000252370578 572260166 /nfs/dbraw/zinc/26/01/66/572260166.db2.gz YHHSNVGTTNXNNB-UHFFFAOYSA-N 1 1 531.498 6.591 50 0 KKAAMO CC(C)c1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)CC3)CC2)cc1 ZINC000252370779 572260181 /nfs/dbraw/zinc/26/01/81/572260181.db2.gz YZXGHLHYLRZVCY-UHFFFAOYSA-N 1 1 600.605 6.472 50 0 KKAAMO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@@H+](Cc3ccccc3)[C@H]3CCCC[C@H]3O)cc21 ZINC000252427783 572260428 /nfs/dbraw/zinc/26/04/28/572260428.db2.gz FYFSRXZMCFPCDK-ZSUPJWAMSA-N 1 1 570.730 5.969 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000253607351 572300869 /nfs/dbraw/zinc/30/08/69/572300869.db2.gz OSXGUIWLZRQMGJ-SANMLTNESA-N 1 1 600.605 6.301 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5C(C)C)CC4)C3)nc3ccccc32)cc1 ZINC000253607302 572300890 /nfs/dbraw/zinc/30/08/90/572300890.db2.gz JIGQNJSRPRNCGE-NDEPHWFRSA-N 1 1 565.762 5.777 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(C(C)C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000253607333 572300920 /nfs/dbraw/zinc/30/09/20/572300920.db2.gz MPZNZGJJCVCKEU-GDLZYMKVSA-N 1 1 565.762 5.777 50 0 KKAAMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)cc1 ZINC000253607419 572300984 /nfs/dbraw/zinc/30/09/84/572300984.db2.gz ASPBARDAOVNOBJ-DEOSSOPVSA-N 1 1 501.074 6.712 50 0 KKAAMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)cc1 ZINC000253607419 572300985 /nfs/dbraw/zinc/30/09/85/572300985.db2.gz ASPBARDAOVNOBJ-DEOSSOPVSA-N 1 1 501.074 6.712 50 0 KKAAMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000253607651 572301059 /nfs/dbraw/zinc/30/10/59/572301059.db2.gz PJDAZNDJWUZZFV-QFIPXVFZSA-N 1 1 531.498 6.762 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000253616774 572301447 /nfs/dbraw/zinc/30/14/47/572301447.db2.gz DLUUMPUNLQOEHY-DEOSSOPVSA-N 1 1 562.545 5.952 50 0 KKAAMO C[N@@H+](Cc1cccc(OC2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1)Cc1cccc2ncccc12 ZINC000101369836 1069791385 /nfs/dbraw/zinc/79/13/85/1069791385.db2.gz PFBRQFJSCNUWDC-UHFFFAOYSA-N 1 1 549.675 5.080 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101856447 1069820847 /nfs/dbraw/zinc/82/08/47/1069820847.db2.gz ZBIJYGKQNNZRCE-PMERELPUSA-N 1 1 562.758 6.788 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@H]21 ZINC000409414697 1069847756 /nfs/dbraw/zinc/84/77/56/1069847756.db2.gz UTDYDYSHGQIBTN-CNUHDZQFSA-N 1 1 632.802 5.119 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)cc(-c4ccccc4)c13)CCC(C)(C)O2 ZINC000409413969 1069848403 /nfs/dbraw/zinc/84/84/03/1069848403.db2.gz MGEQBUMOSKZGTG-LBNVMWSVSA-N 1 1 588.745 5.682 50 0 KKAAMO COc1ccc2ccccc2c1C[N@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000102679402 1069862304 /nfs/dbraw/zinc/86/23/04/1069862304.db2.gz MWCYMGDUCKOUEJ-XJFCNFDWSA-N 1 1 595.744 5.948 50 0 KKAAMO O=C(c1cccc(-c2cccc(F)c2)c1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000102651335 1069861161 /nfs/dbraw/zinc/86/11/61/1069861161.db2.gz ATUOLCFPVVWDRN-UHFFFAOYSA-N 1 1 564.705 5.889 50 0 KKAAMO C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000102658423 1069861657 /nfs/dbraw/zinc/86/16/57/1069861657.db2.gz SJLPMFGAMSCUAP-QHCPKHFHSA-N 1 1 545.655 5.181 50 0 KKAAMO C[N@H+]1CCC[C@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(Cc2cccn2-c2ncccn2)C3)C1 ZINC000102705210 1069863806 /nfs/dbraw/zinc/86/38/06/1069863806.db2.gz CLVQQVIPTHHZFP-QHCPKHFHSA-N 1 1 544.099 5.703 50 0 KKAAMO FC(F)(F)c1cnc(-c2cc3c(c(OC[C@H]4CCCO4)c2)OCC[N@H+](Cc2cccs2)C3)c(Cl)c1 ZINC000102705946 1069864916 /nfs/dbraw/zinc/86/49/16/1069864916.db2.gz KHAYAUYKXBKRRZ-LJQANCHMSA-N 1 1 524.992 6.435 50 0 KKAAMO FC(F)(F)c1cnc(-c2cc3c(c(OC[C@H]4CCCO4)c2)OCC[N@@H+](Cc2cccs2)C3)c(Cl)c1 ZINC000102705946 1069864935 /nfs/dbraw/zinc/86/49/35/1069864935.db2.gz KHAYAUYKXBKRRZ-LJQANCHMSA-N 1 1 524.992 6.435 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccccc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000101279325 1070955019 /nfs/dbraw/zinc/95/50/19/1070955019.db2.gz DXJUJHPZLHUSCZ-GGKJBDKJSA-N 1 1 510.593 5.977 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101279325 1070955024 /nfs/dbraw/zinc/95/50/24/1070955024.db2.gz DXJUJHPZLHUSCZ-GGKJBDKJSA-N 1 1 510.593 5.977 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101279325 1070955031 /nfs/dbraw/zinc/95/50/31/1070955031.db2.gz DXJUJHPZLHUSCZ-GGKJBDKJSA-N 1 1 510.593 5.977 50 0 KKAAMO CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)sc2c1CC[N@@H+](CC)C2 ZINC000103004179 1070969083 /nfs/dbraw/zinc/96/90/83/1070969083.db2.gz NLLAMQKGDGFIRS-ULJHMMPZSA-N 1 1 573.671 5.120 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000199288891 1071135657 /nfs/dbraw/zinc/13/56/57/1071135657.db2.gz PERHZHHEFLTHLU-AJQTZOPKSA-N 1 1 570.737 6.246 50 0 KKAAMO C[N@@H+](Cc1ccsc1)Cc1cccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1 ZINC000011871790 1071232955 /nfs/dbraw/zinc/23/29/55/1071232955.db2.gz PWBOPVMYWAACNQ-UHFFFAOYSA-N 1 1 506.693 5.765 50 0 KKAAMO CCCOc1cccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000230013775 1071247881 /nfs/dbraw/zinc/24/78/81/1071247881.db2.gz MGTWKXCVRHOFSJ-XMFJDCMESA-N 1 1 554.646 6.457 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23c2ccccc2NC3=O)c1 ZINC000230013775 1071247889 /nfs/dbraw/zinc/24/78/89/1071247889.db2.gz MGTWKXCVRHOFSJ-XMFJDCMESA-N 1 1 554.646 6.457 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23c2ccccc2NC3=O)c1 ZINC000230013775 1071247896 /nfs/dbraw/zinc/24/78/96/1071247896.db2.gz MGTWKXCVRHOFSJ-XMFJDCMESA-N 1 1 554.646 6.457 50 0 KKAAMO O=C1NCCCOc2cccc(c2)[C@H]2c3ccc(cc3CC[N@H+]2Cc2ccccn2)Oc2ccc(O)c1c2 ZINC000952863489 1071296956 /nfs/dbraw/zinc/29/69/56/1071296956.db2.gz PNIBNZKQGGATDV-PMERELPUSA-N 1 1 507.590 5.240 50 0 KKAAMO O=C1NCCCOc2cccc(c2)[C@H]2c3ccc(cc3CC[N@@H+]2Cc2ccccn2)Oc2ccc(O)c1c2 ZINC000952863489 1071296963 /nfs/dbraw/zinc/29/69/63/1071296963.db2.gz PNIBNZKQGGATDV-PMERELPUSA-N 1 1 507.590 5.240 50 0 KKAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@@H]3[C@H]2c2ccc(Cl)cc2)C1 ZINC000245237032 1072830218 /nfs/dbraw/zinc/83/02/18/1072830218.db2.gz CMCLTKJWFAVHRT-FNIZSBMYSA-N 1 1 554.518 6.392 50 0 KKAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@@H]3[C@H]2c2ccc(Cl)cc2)C1 ZINC000245237032 1072830226 /nfs/dbraw/zinc/83/02/26/1072830226.db2.gz CMCLTKJWFAVHRT-FNIZSBMYSA-N 1 1 554.518 6.392 50 0 KKAAMO O=C(NCCc1c[nH]c2ccccc12)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccccc2)C1 ZINC000014745541 1072891944 /nfs/dbraw/zinc/89/19/44/1072891944.db2.gz HZVGOTIRSMRXAX-ABYGYWHVSA-N 1 1 507.678 5.533 50 0 KKAAMO C[N@@H+](Cc1cccs1)Cc1cccc(OC2CCN(C(=O)c3cc(C4CC4)nc4ccccc43)CC2)c1 ZINC000014956196 1072892963 /nfs/dbraw/zinc/89/29/63/1072892963.db2.gz PFPYZLSZVXFHHV-UHFFFAOYSA-N 1 1 511.691 6.489 50 0 KKAAMO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc(F)cc3)CC2)c1)Cc1cccc2ccccc21 ZINC000014888252 1072893108 /nfs/dbraw/zinc/89/31/08/1072893108.db2.gz BVYILCIEPYEEEJ-UHFFFAOYSA-N 1 1 511.641 5.448 50 0 KKAAMO C[C@@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)Cc1cc2cc3c(cc2n(Cc2cccc(F)c2)c1=O)OCO3 ZINC000015072617 1072896760 /nfs/dbraw/zinc/89/67/60/1072896760.db2.gz GBLRPVFQOYAYBV-IBGZPJMESA-N 1 1 510.569 5.501 50 0 KKAAMO O=C(Cc1ccsc1)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000055152966 1072899302 /nfs/dbraw/zinc/89/93/02/1072899302.db2.gz XXLLVNNZTPIRCP-VWLOTQADSA-N 1 1 507.675 5.070 50 0 KKAAMO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001213976 551626076 /nfs/dbraw/zinc/62/60/76/551626076.db2.gz XMLMKEOSWJGRHW-DHLKQENFSA-N 1 1 551.638 6.152 50 0 KKAAMO O=c1c2c3c(sc2nc(SCc2cccc4ccccc42)n1C1CCCCC1)C[N@H+](Cc1ccccc1)CC3 ZINC000001773991 551697119 /nfs/dbraw/zinc/69/71/19/551697119.db2.gz TVCFNPXVYXQFRY-UHFFFAOYSA-N 1 1 551.781 7.967 50 0 KKAAMO O=c1c2c3c(sc2nc(SCc2cccc4ccccc42)n1C1CCCCC1)C[N@@H+](Cc1ccccc1)CC3 ZINC000001773991 551697121 /nfs/dbraw/zinc/69/71/21/551697121.db2.gz TVCFNPXVYXQFRY-UHFFFAOYSA-N 1 1 551.781 7.967 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccccc2F)cc1 ZINC000001877144 551723273 /nfs/dbraw/zinc/72/32/73/551723273.db2.gz GCUJMMWQURFYQW-YTTGMZPUSA-N 1 1 569.688 7.961 50 0 KKAAMO Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002248214 551800750 /nfs/dbraw/zinc/80/07/50/551800750.db2.gz YOXKRFIYMSUROM-ZEQRLZLVSA-N 1 1 505.803 6.215 50 0 KKAAMO CCC[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(-c4ccc(C)cc4)c(=O)c23)C1 ZINC000002295839 552089506 /nfs/dbraw/zinc/08/95/06/552089506.db2.gz JOBUXMRFTOBVFS-UHFFFAOYSA-N 1 1 530.546 7.123 50 0 KKAAMO CCC[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(-c4ccc(C)cc4)c(=O)c23)C1 ZINC000002295839 552089507 /nfs/dbraw/zinc/08/95/07/552089507.db2.gz JOBUXMRFTOBVFS-UHFFFAOYSA-N 1 1 530.546 7.123 50 0 KKAAMO COc1cccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(OC)c(Br)c2)N2NC=NC2=[NH+]3)c1 ZINC000002542272 552128348 /nfs/dbraw/zinc/12/83/48/552128348.db2.gz PLQWLBJEVQMNFS-JWQCQUIFSA-N 1 1 517.383 5.271 50 0 KKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3)CC2)cc1 ZINC000002714546 552161132 /nfs/dbraw/zinc/16/11/32/552161132.db2.gz FSDJABXYXKZVNW-UHFFFAOYSA-N 1 1 510.439 6.177 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2F)cc1Br ZINC000002917759 552218374 /nfs/dbraw/zinc/21/83/74/552218374.db2.gz PDRKBKMBQMZHLD-ZEQRLZLVSA-N 1 1 505.347 5.401 50 0 KKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000003062634 552283455 /nfs/dbraw/zinc/28/34/55/552283455.db2.gz GOPSKIDWPPBPST-PFQJNYNCSA-N 1 1 515.654 5.720 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)Cc1ccccc1 ZINC000003065910 552284663 /nfs/dbraw/zinc/28/46/63/552284663.db2.gz DRCMYZLZFBNQRO-UHFFFAOYSA-N 1 1 523.482 5.591 50 0 KKAAMO CCOC(=O)c1c(NC=C2C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)sc2c1CC[N@@H+](CC)C2 ZINC000003415110 552382659 /nfs/dbraw/zinc/38/26/59/552382659.db2.gz NNGPRFDQQSRHNR-HMMYKYKNSA-N 1 1 536.053 5.596 50 0 KKAAMO COc1ccc(C(OC[C@@H](O)C[N@@H+](C)Cc2cc(Br)ccc2OC)c2ccc(OC)cc2)cc1 ZINC000003495900 552390375 /nfs/dbraw/zinc/39/03/75/552390375.db2.gz RGXBRPGHYPIBKJ-QHCPKHFHSA-N 1 1 530.459 5.074 50 0 KKAAMO CONC(=O)Nc1ccc(-c2sc3c(c2C[N@@H+](C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1 ZINC000003842924 552420340 /nfs/dbraw/zinc/42/03/40/552420340.db2.gz UCQSBGOFELXYIN-UHFFFAOYSA-N 1 1 667.738 6.522 50 0 investigational KKAAMO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OC)cc4)c(C[NH+]4CCC(C)CC4)c3oc2C(F)(F)F)cc1 ZINC000006166811 552556911 /nfs/dbraw/zinc/55/69/11/552556911.db2.gz BHANXXMMOFDLJY-UHFFFAOYSA-N 1 1 609.641 8.016 50 0 KKAAMO Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc1 ZINC000006166791 552556951 /nfs/dbraw/zinc/55/69/51/552556951.db2.gz PDQWEILCFWNMCG-UHFFFAOYSA-N 1 1 600.033 8.470 50 0 KKAAMO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Br)cc1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008444495 553050626 /nfs/dbraw/zinc/05/06/26/553050626.db2.gz OOWMZIXBQOPRRY-BDYUSTAISA-N 1 1 624.505 6.853 50 0 KKAAMO O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008452554 553064185 /nfs/dbraw/zinc/06/41/85/553064185.db2.gz JNPRISXGWLEFST-UHFFFAOYSA-N 1 1 608.591 6.118 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc21)Cc1ccccc1 ZINC000008595337 553088795 /nfs/dbraw/zinc/08/87/95/553088795.db2.gz QVJPNWURHQBIHB-UHFFFAOYSA-N 1 1 526.681 6.418 50 0 KKAAMO O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722573 553130206 /nfs/dbraw/zinc/13/02/06/553130206.db2.gz DMKIWHQKMSUHRE-DEOSSOPVSA-N 1 1 520.452 6.183 50 0 KKAAMO O=C1N[C@H](c2ccc(-c3ccc(Br)cc3)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008722573 553130208 /nfs/dbraw/zinc/13/02/08/553130208.db2.gz DMKIWHQKMSUHRE-DEOSSOPVSA-N 1 1 520.452 6.183 50 0 KKAAMO CCOc1cc2sc(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)CC3)nc2cc1Br ZINC000008911687 553184236 /nfs/dbraw/zinc/18/42/36/553184236.db2.gz SIIDFNGFNGSHSD-KRWDZBQOSA-N 1 1 523.541 5.055 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(F)cc1 ZINC000008923393 553190528 /nfs/dbraw/zinc/19/05/28/553190528.db2.gz MDJLTDUZXUOZDK-XMMPIXPASA-N 1 1 509.603 5.701 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)[C@@H]1c1cccs1 ZINC000009433326 553263067 /nfs/dbraw/zinc/26/30/67/553263067.db2.gz JHWNGRAWSBQZHE-VMPREFPWSA-N 1 1 517.739 6.102 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000009433226 553263083 /nfs/dbraw/zinc/26/30/83/553263083.db2.gz YDXBHKORPNXBLF-NSOVKSMOSA-N 1 1 501.696 5.249 50 0 KKAAMO O=C(NCC[N@@H+](Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433693 553263325 /nfs/dbraw/zinc/26/33/25/553263325.db2.gz HPUUZLKCBMJUKJ-URLMMPGGSA-N 1 1 531.722 6.125 50 0 KKAAMO Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009462360 553268323 /nfs/dbraw/zinc/26/83/23/553268323.db2.gz DKLFFRLVFOICLD-XZOQPEGZSA-N 1 1 509.766 6.046 50 0 KKAAMO CC(C)[N@H+](CCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)Cc1ccccc1 ZINC000009731671 553302638 /nfs/dbraw/zinc/30/26/38/553302638.db2.gz PCUOCYBENPWMJT-UHFFFAOYSA-N 1 1 509.455 5.201 50 0 KKAAMO CC(C)[N@@H+](CCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)Cc1ccccc1 ZINC000009731671 553302640 /nfs/dbraw/zinc/30/26/40/553302640.db2.gz PCUOCYBENPWMJT-UHFFFAOYSA-N 1 1 509.455 5.201 50 0 KKAAMO O=C1CCCc2c1c1cc(C[NH+]3CCCCC3)ccc1n2CCN(Cc1ccccc1)Cc1ccccc1 ZINC000009761154 553302886 /nfs/dbraw/zinc/30/28/86/553302886.db2.gz HORALVKPCRKEEY-UHFFFAOYSA-N 1 1 505.706 6.849 50 0 KKAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009836114 553310477 /nfs/dbraw/zinc/31/04/77/553310477.db2.gz CBKPNMDLZXYGLC-XZWHSSHBSA-N 1 1 531.672 5.553 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@H+](Cc3ccccc3F)C2)cc1 ZINC000011786143 553342822 /nfs/dbraw/zinc/34/28/22/553342822.db2.gz PZYHDPFQNXAXAO-YWEHKCAJSA-N 1 1 523.649 5.057 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)N3CCN(c4ccccc4F)CC3)[N@@H+](Cc3ccccc3F)C2)cc1 ZINC000011786143 553342824 /nfs/dbraw/zinc/34/28/24/553342824.db2.gz PZYHDPFQNXAXAO-YWEHKCAJSA-N 1 1 523.649 5.057 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(S(=O)(=O)c3ccccc3F)CC2)cc1 ZINC000012037633 553350468 /nfs/dbraw/zinc/35/04/68/553350468.db2.gz TZOZTUWVJXSDRW-UHFFFAOYSA-N 1 1 524.683 5.905 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2cn3ccccc3n2)c1)Cc1cccc2cccnc21 ZINC000012151266 553352490 /nfs/dbraw/zinc/35/24/90/553352490.db2.gz HBBHKOAZCVXDBH-MUUNZHRXSA-N 1 1 533.676 5.978 50 0 KKAAMO Cc1noc(C)c1CC(=O)N1CCC[C@@H](COc2cccc(C[N@H+](C)Cc3ccc4ncccc4c3)c2)C1 ZINC000012151868 553352512 /nfs/dbraw/zinc/35/25/12/553352512.db2.gz ITONSCGIAQEFFE-AREMUKBSSA-N 1 1 512.654 5.332 50 0 KKAAMO CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@@H](CCC(=O)OC)C2)cc1 ZINC000012211739 553354303 /nfs/dbraw/zinc/35/43/03/553354303.db2.gz KHYANIWVWNCNBY-WNCULLNHSA-N 1 1 533.635 5.070 50 0 KKAAMO CCOc1ccc(C[N@H+]2CC[C@@H](N3CCN(c4cccc(C(F)(F)F)c4)CC3)[C@@H](CCC(=O)OC)C2)cc1 ZINC000012211739 553354307 /nfs/dbraw/zinc/35/43/07/553354307.db2.gz KHYANIWVWNCNBY-WNCULLNHSA-N 1 1 533.635 5.070 50 0 KKAAMO C[C@@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(c2ncccn2)CC1 ZINC000012283408 553356358 /nfs/dbraw/zinc/35/63/58/553356358.db2.gz PWEBFBBPJVDRHP-QHCPKHFHSA-N 1 1 527.694 5.126 50 0 KKAAMO COc1ccccc1-c1cc(C(F)(F)F)n2nc(C(=O)OC[C@H]3CCC[N@H+]4CCCC[C@H]34)c(Cl)c2n1 ZINC000012371790 553360519 /nfs/dbraw/zinc/36/05/19/553360519.db2.gz YQUBJXHYUXOILP-CRAIPNDOSA-N 1 1 522.955 5.498 50 0 KKAAMO COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@H]45)c(Cl)c3n2)c1 ZINC000012371608 553360531 /nfs/dbraw/zinc/36/05/31/553360531.db2.gz FWOKAQXKGWTQAU-VQIMIIECSA-N 1 1 522.955 5.498 50 0 KKAAMO COc1ccccc1-c1cc(C(F)(F)F)n2nc(C(=O)OC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(Cl)c2n1 ZINC000012371789 553360545 /nfs/dbraw/zinc/36/05/45/553360545.db2.gz YQUBJXHYUXOILP-MAUKXSAKSA-N 1 1 522.955 5.498 50 0 KKAAMO c1c(-c2ccccc2)sc2nc(-c3ccccc3)nc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)c12 ZINC000012564514 553396281 /nfs/dbraw/zinc/39/62/81/553396281.db2.gz NXBFPIFQEVHTHN-UHFFFAOYSA-N 1 1 506.631 6.076 50 0 KKAAMO CC(C)N(CC(=O)Nc1ccc(Cl)cc1C(F)(F)F)C(=O)C[NH2+]C(c1ccccc1)c1ccccc1 ZINC000012637302 553407123 /nfs/dbraw/zinc/40/71/23/553407123.db2.gz GKRQOAFFKVFLSC-UHFFFAOYSA-N 1 1 517.979 5.914 50 0 KKAAMO O=C(/C=C/c1ccc(OCc2ccc(Br)cc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012959611 553430274 /nfs/dbraw/zinc/43/02/74/553430274.db2.gz BWGFDZIGSKTJGX-HMMYKYKNSA-N 1 1 567.527 6.975 50 0 KKAAMO COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@@H]4CCC[N@H+]5CCCC[C@@H]45)c(Cl)c3n2)c1 ZINC000015319151 553531789 /nfs/dbraw/zinc/53/17/89/553531789.db2.gz FWOKAQXKGWTQAU-LPHOPBHVSA-N 1 1 522.955 5.498 50 0 KKAAMO CC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C(C)(C)C)C3)CC1 ZINC000015946796 553544816 /nfs/dbraw/zinc/54/48/16/553544816.db2.gz OOLSRYXSXCHRNO-GOSISDBHSA-N 1 1 502.124 6.475 50 0 KKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 ZINC000015946766 553544929 /nfs/dbraw/zinc/54/49/29/553544929.db2.gz JVFFWUUJLHLCRE-FQEVSTJZSA-N 1 1 511.732 6.221 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000015947050 553545117 /nfs/dbraw/zinc/54/51/17/553545117.db2.gz KGTJJLUNRVXIFE-JOCHJYFZSA-N 1 1 516.450 6.470 50 0 KKAAMO O=C(C=Cc1ccco1)Oc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000015947358 553545382 /nfs/dbraw/zinc/54/53/82/553545382.db2.gz FADSTWKLRPRYGD-ZPIZUECNSA-N 1 1 511.603 5.947 50 0 KKAAMO O=C(C=Cc1ccco1)Oc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000015947358 553545385 /nfs/dbraw/zinc/54/53/85/553545385.db2.gz FADSTWKLRPRYGD-ZPIZUECNSA-N 1 1 511.603 5.947 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000016037690 553552582 /nfs/dbraw/zinc/55/25/82/553552582.db2.gz PKIGYWAGCGGMGZ-HFLBTKGNSA-N 1 1 519.988 5.647 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000016037690 553552584 /nfs/dbraw/zinc/55/25/84/553552584.db2.gz PKIGYWAGCGGMGZ-HFLBTKGNSA-N 1 1 519.988 5.647 50 0 KKAAMO c1ccc([C@H]2CC(c3ccc(C4=[NH+]N(c5ccccc5)[C@H](c5ccccc5)C4)cc3)=NN2c2ccccc2)cc1 ZINC000016671566 553571453 /nfs/dbraw/zinc/57/14/53/553571453.db2.gz HUDFQTTYMSMMGU-TYHGNQNSSA-N 1 1 518.664 8.398 50 0 KKAAMO CCN(CC)CC(=O)Nc1c(C)cc(C2(c3cc(C)c(NC(=O)C[NH+](CC)CC)c(C)c3)CCCCC2)cc1C ZINC000016676053 553571676 /nfs/dbraw/zinc/57/16/76/553571676.db2.gz YFTNOKVNNXCIIE-UHFFFAOYSA-N 1 1 548.816 6.731 50 0 KKAAMO O=c1c2c3c(sc2nc(SCc2ccccc2)n1-c1ccccc1)C[N@@H+](CCc1ccccc1)CC3 ZINC000020123583 553590935 /nfs/dbraw/zinc/59/09/35/553590935.db2.gz VFPAIDHXFQBDRT-UHFFFAOYSA-N 1 1 509.700 6.340 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(COc4c(Cl)cc(Cl)cc4Cl)o2)N3)C1 ZINC000018195280 553608657 /nfs/dbraw/zinc/60/86/57/553608657.db2.gz JHQUZZVMMXLZMZ-FQEVSTJZSA-N 1 1 512.846 6.112 50 0 KKAAMO O=c1c2c3c(sc2nc(SCCc2ccccc2)n1-c1ccccc1)C[N@H+](Cc1ccccc1)CC3 ZINC000019814786 553618747 /nfs/dbraw/zinc/61/87/47/553618747.db2.gz ZJECAPQTKTUGIG-UHFFFAOYSA-N 1 1 509.700 6.340 50 0 KKAAMO O=c1c2c3c(sc2nc(SCCc2ccccc2)n1-c1ccccc1)C[N@@H+](Cc1ccccc1)CC3 ZINC000019814786 553618749 /nfs/dbraw/zinc/61/87/49/553618749.db2.gz ZJECAPQTKTUGIG-UHFFFAOYSA-N 1 1 509.700 6.340 50 0 KKAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070704724 553623546 /nfs/dbraw/zinc/62/35/46/553623546.db2.gz QRJFSCJTYDLBIC-BYSIJJKSSA-N 1 1 576.878 5.426 50 0 biogenic KKAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070704724 553623549 /nfs/dbraw/zinc/62/35/49/553623549.db2.gz QRJFSCJTYDLBIC-BYSIJJKSSA-N 1 1 576.878 5.426 50 0 biogenic KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000020242701 553627796 /nfs/dbraw/zinc/62/77/96/553627796.db2.gz QRYDFPQVLUNFAK-CCPAGJRDSA-N 1 1 529.706 5.235 50 0 KKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@]2=O ZINC000020242707 553627852 /nfs/dbraw/zinc/62/78/52/553627852.db2.gz GFPJRCCIANUZAV-LHEWISCISA-N 1 1 531.722 5.482 50 0 KKAAMO CN(C)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000019891508 553630071 /nfs/dbraw/zinc/63/00/71/553630071.db2.gz CYPVINGOPSSHQJ-JWQCQUIFSA-N 1 1 500.400 5.319 50 0 KKAAMO CC[C@@H](NC(=O)Nc1ccc(Br)c(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020386552 553644033 /nfs/dbraw/zinc/64/40/33/553644033.db2.gz BWHDYMIKMBCTFH-HXUWFJFHSA-N 1 1 501.494 6.261 50 0 KKAAMO Cc1ccc(CN2C(=O)CSc3ccc(NC(=O)NCCC[N@@H+](Cc4ccccc4)C(C)C)cc32)cc1 ZINC000020385981 553644157 /nfs/dbraw/zinc/64/41/57/553644157.db2.gz IBQMJHBJFYALLA-UHFFFAOYSA-N 1 1 516.711 6.056 50 0 KKAAMO O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000020412757 553647059 /nfs/dbraw/zinc/64/70/59/553647059.db2.gz YCFFMXDTARBUKT-SFHVURJKSA-N 1 1 515.466 5.227 50 0 KKAAMO O=C(OCc1ccccc1)N1c2ccccc2C[C@@H]1C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020432005 553648313 /nfs/dbraw/zinc/64/83/13/553648313.db2.gz NLSVSWPSATXORV-WJOKGBTCSA-N 1 1 529.640 5.669 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000079183281 553666378 /nfs/dbraw/zinc/66/63/78/553666378.db2.gz FUZMQNZACIFDBL-IHLOFXLRSA-N 1 1 652.788 7.171 50 0 biogenic,in-vitro KKAAMO Cc1oc2c(cc3c(C)c(CCC(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c(=O)oc3c2C)c1-c1ccccc1 ZINC000079190716 553667702 /nfs/dbraw/zinc/66/77/02/553667702.db2.gz AOHBYGLKVBFOHN-RBJSKKJNSA-N 1 1 526.677 6.445 50 0 biogenic KKAAMO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000079194274 553669270 /nfs/dbraw/zinc/66/92/70/553669270.db2.gz XVXNJUKXGMYQSQ-RBISFHTESA-N 1 1 547.095 6.790 50 0 biogenic KKAAMO Cc1c(OC[C@@H](O)C[NH+](Cc2ccco2)C[C@H](O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000079232069 553672466 /nfs/dbraw/zinc/67/24/66/553672466.db2.gz SJIBRIFFYJSNFM-ACHIHNKUSA-N 1 1 713.783 7.125 50 0 biogenic KKAAMO CCc1cccc(NC(=S)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1 ZINC000020733232 553692929 /nfs/dbraw/zinc/69/29/29/553692929.db2.gz KADIXQVTAQQOLB-UHFFFAOYSA-N 1 1 537.217 7.606 50 0 KKAAMO Cc1ccccc1NC(=S)N(CCC[N@H+](C)C1CCCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000020733219 553692975 /nfs/dbraw/zinc/69/29/75/553692975.db2.gz FMMMTFBBNWGQQP-UHFFFAOYSA-N 1 1 523.190 7.352 50 0 KKAAMO COc1ccc(/C=C/C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1 ZINC000021525744 553710502 /nfs/dbraw/zinc/71/05/02/553710502.db2.gz PGBHMADJZSCMGZ-SAPNQHFASA-N 1 1 515.617 5.458 50 0 KKAAMO O[C@H](CC1c2ccccc2-c2ccccc21)CN1CC[NH+](C[C@@H](O)C[C@@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000095742839 553712431 /nfs/dbraw/zinc/71/24/31/553712431.db2.gz NFKZAYGAZSLISU-RDXDNIQESA-N 1 1 767.400 8.019 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3ccc(-c4ccco4)n3C[C@@]2(C)C(=O)NC2CCCCCC2)C1 ZINC000021780852 553716506 /nfs/dbraw/zinc/71/65/06/553716506.db2.gz NOLXMBAQGGRIEN-BURCIIJTSA-N 1 1 508.707 5.170 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccs3)CC2)cc1 ZINC000021796602 553717022 /nfs/dbraw/zinc/71/70/22/553717022.db2.gz QZMYWLRAOBCOBC-UHFFFAOYSA-N 1 1 509.635 5.510 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3Cl)CC2)cc1 ZINC000021796531 553717081 /nfs/dbraw/zinc/71/70/81/553717081.db2.gz CXPBBSUVAOHJQO-UHFFFAOYSA-N 1 1 524.024 5.712 50 0 KKAAMO COc1ccc(C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H](O)c2ccc(OCc3ccccc3)c(NC=O)c2)cc1 ZINC000021992261 553722617 /nfs/dbraw/zinc/72/26/17/553722617.db2.gz RVGUTXYKHMDBPX-ZOYWYXQUSA-N 1 1 524.661 6.009 50 0 KKAAMO CCOC(=O)c1c(NC(=O)CNC[C@H](c2ccccc2)[NH+](C)C)sc(Br)c1-c1ccccc1 ZINC000022037697 553723300 /nfs/dbraw/zinc/72/33/00/553723300.db2.gz JDWXXGVRTHXOHP-LJQANCHMSA-N 1 1 530.488 5.185 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(C(F)(F)F)cc2)CC1 ZINC000096276333 553732960 /nfs/dbraw/zinc/73/29/60/553732960.db2.gz AEDLRXQKAOVQQE-MHZLTWQESA-N 1 1 519.611 6.395 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccccc4Cl)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096278685 553735430 /nfs/dbraw/zinc/73/54/30/553735430.db2.gz RICGGVZRBWBIKT-UHFFFAOYSA-N 1 1 515.057 5.681 50 0 KKAAMO Cc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2C[NH+]2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000096288344 553739744 /nfs/dbraw/zinc/73/97/44/553739744.db2.gz JFWZVFYJDIYPOK-UHFFFAOYSA-N 1 1 501.074 6.320 50 0 KKAAMO CCc1nc2c(Cl)cc(Cl)cc2c(N(CCC(=O)N2CC[NH+](CC)CC2)CCc2ccccc2)n1 ZINC000096289324 553741335 /nfs/dbraw/zinc/74/13/35/553741335.db2.gz OVRZRIDAMGAZOC-UHFFFAOYSA-N 1 1 514.501 5.102 50 0 KKAAMO CC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)C5CCCC5)CC4)n3c2)cc1 ZINC000096289665 553741746 /nfs/dbraw/zinc/74/17/46/553741746.db2.gz HQFNJMZMZJOPBW-UHFFFAOYSA-N 1 1 506.650 5.705 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2F)CC1 ZINC000096289847 553742327 /nfs/dbraw/zinc/74/23/27/553742327.db2.gz HVCAOENWJZIJLU-UHFFFAOYSA-N 1 1 515.658 5.452 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2-c2ccccc2C)CC1 ZINC000096291004 553744370 /nfs/dbraw/zinc/74/43/70/553744370.db2.gz NPKZESZNNBIVSY-UHFFFAOYSA-N 1 1 511.695 5.237 50 0 KKAAMO Clc1ccc2c(c1)C[C@@H](N1CC[NH+]([C@H]3Cc4cc(Cl)ccc4Sc4ccccc43)CC1)c1ccccc1S2 ZINC000022789197 553750233 /nfs/dbraw/zinc/75/02/33/553750233.db2.gz YKKUMIYOPLAFOV-HNRBIFIRSA-N 1 1 575.630 8.808 50 0 KKAAMO Clc1ccc2c(c1)C[C@@H]([NH+]1CCN([C@H]3Cc4cc(Cl)ccc4Sc4ccccc43)CC1)c1ccccc1S2 ZINC000022789197 553750235 /nfs/dbraw/zinc/75/02/35/553750235.db2.gz YKKUMIYOPLAFOV-HNRBIFIRSA-N 1 1 575.630 8.808 50 0 KKAAMO Cc1c2cc3c(cc2oc(=O)c1CC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12)occ3-c1ccc(F)cc1 ZINC000096343548 553752580 /nfs/dbraw/zinc/75/25/80/553752580.db2.gz NKGBULQLZAQTFL-FQRUVTKNSA-N 1 1 502.586 5.577 50 0 KKAAMO O=C([C@H](O)c1ccccc1)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023336722 553774453 /nfs/dbraw/zinc/77/44/53/553774453.db2.gz LEOWQCBPYCXGQA-AREMUKBSSA-N 1 1 513.465 5.367 50 0 KKAAMO C[N@@H+](CCc1c[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12)C1CCCCC1 ZINC000023446595 553780595 /nfs/dbraw/zinc/78/05/95/553780595.db2.gz GTYDDGSQRFVMFM-UHFFFAOYSA-N 1 1 511.510 7.265 50 0 KKAAMO CCC[N@@H+](CCc1c[nH]c2ccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc12)CC1CC1 ZINC000023446507 553780608 /nfs/dbraw/zinc/78/06/08/553780608.db2.gz ABMXDUOYIJKINV-UHFFFAOYSA-N 1 1 511.510 7.122 50 0 KKAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)c2)CC1 ZINC000097956359 553838139 /nfs/dbraw/zinc/83/81/39/553838139.db2.gz YLKRMUZMUJUSKL-GGMSWHNTSA-N 1 1 546.092 6.096 50 0 KKAAMO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000097963380 553889326 /nfs/dbraw/zinc/88/93/26/553889326.db2.gz ZQVCLQQPKDGUJV-UHFFFAOYSA-N 1 1 568.790 6.076 50 0 KKAAMO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000097963380 553889328 /nfs/dbraw/zinc/88/93/28/553889328.db2.gz ZQVCLQQPKDGUJV-UHFFFAOYSA-N 1 1 568.790 6.076 50 0 KKAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000097963417 553889658 /nfs/dbraw/zinc/88/96/58/553889658.db2.gz JYTVXJIIQLZMMK-UHFFFAOYSA-N 1 1 563.786 5.246 50 0 KKAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000097963417 553889662 /nfs/dbraw/zinc/88/96/62/553889662.db2.gz JYTVXJIIQLZMMK-UHFFFAOYSA-N 1 1 563.786 5.246 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963437 553890149 /nfs/dbraw/zinc/89/01/49/553890149.db2.gz JBKLBISDNLPOGE-UHFFFAOYSA-N 1 1 628.845 6.791 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963432 553890243 /nfs/dbraw/zinc/89/02/43/553890243.db2.gz XXRQHMQVTGWIBR-UHFFFAOYSA-N 1 1 594.828 6.464 50 0 KKAAMO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963493 553890963 /nfs/dbraw/zinc/89/09/63/553890963.db2.gz LWKNNTYVYWHZKU-ZEQRLZLVSA-N 1 1 656.899 7.502 50 0 KKAAMO C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963493 553890967 /nfs/dbraw/zinc/89/09/67/553890967.db2.gz LWKNNTYVYWHZKU-ZEQRLZLVSA-N 1 1 656.899 7.502 50 0 KKAAMO O[C@@H](COc1ccccc1)CN(CC[N@@H+](C[C@H](O)COc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000033353344 553924815 /nfs/dbraw/zinc/92/48/15/553924815.db2.gz BMNASIGFPCNXFN-ZRKBJOGQSA-N 1 1 692.900 8.049 50 0 KKAAMO O[C@@H](COc1ccccc1)C[N@H+](CCN(C[C@H](O)COc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000033353344 553924822 /nfs/dbraw/zinc/92/48/22/553924822.db2.gz BMNASIGFPCNXFN-ZRKBJOGQSA-N 1 1 692.900 8.049 50 0 KKAAMO O[C@@H](COc1ccccc1)C[N@@H+](CCN(C[C@H](O)COc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000033353344 553924818 /nfs/dbraw/zinc/92/48/18/553924818.db2.gz BMNASIGFPCNXFN-ZRKBJOGQSA-N 1 1 692.900 8.049 50 0 KKAAMO CCC[N@@H+]1CCc2c(sc3nc(SCc4ccc(Br)cc4)n(-c4ccccc4)c(=O)c23)C1 ZINC000033353755 553926841 /nfs/dbraw/zinc/92/68/41/553926841.db2.gz WSVAWLMBGCSEKS-UHFFFAOYSA-N 1 1 526.525 6.270 50 0 KKAAMO CCC[N@H+]1CCc2c(sc3nc(SCc4ccc(Br)cc4)n(-c4ccccc4)c(=O)c23)C1 ZINC000033353755 553926843 /nfs/dbraw/zinc/92/68/43/553926843.db2.gz WSVAWLMBGCSEKS-UHFFFAOYSA-N 1 1 526.525 6.270 50 0 KKAAMO CCOC(=O)c1cc(-c2ccc(OC)cc2)n(CCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000033356184 553939873 /nfs/dbraw/zinc/93/98/73/553939873.db2.gz GMQKFLSGXJOJNO-UHFFFAOYSA-N 1 1 565.714 5.973 50 0 KKAAMO Cc1ccc(C)c(N2CC[NH+](CCN3C(=O)c4ccc(-c5ccco5)n4C[C@]3(C)C(=O)NC3CCCCCC3)CC2)c1 ZINC000033356771 553944160 /nfs/dbraw/zinc/94/41/60/553944160.db2.gz OKPNWIWEABUDNZ-UUWRZZSWSA-N 1 1 571.766 5.241 50 0 KKAAMO C[N@@H+](CCCN(Cc1cccn1Cc1ccc(Cl)cc1)C(=S)Nc1cc(F)cc(F)c1)C1CCCCC1 ZINC000033357428 553948006 /nfs/dbraw/zinc/94/80/06/553948006.db2.gz NNNJXZBSVUYLBF-UHFFFAOYSA-N 1 1 545.143 7.322 50 0 KKAAMO C[C@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccccc2Cl)S3)C1 ZINC000033357440 553948037 /nfs/dbraw/zinc/94/80/37/553948037.db2.gz BNLCJXLASIINLB-JNWIWMBKSA-N 1 1 532.109 6.263 50 0 KKAAMO Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3N2)cc1 ZINC000033358598 553957045 /nfs/dbraw/zinc/95/70/45/553957045.db2.gz SZQXHLKSXDMJKW-IAPPQJPRSA-N 1 1 559.636 6.399 50 0 KKAAMO Cc1ccc(Cn2cc([C@@H](CC(=O)NCCC[NH+]3CCOCC3)c3cccc(C)c3)c3ccccc32)cc1 ZINC000033400906 553958725 /nfs/dbraw/zinc/95/87/25/553958725.db2.gz DMADQLUXQANZOD-PMERELPUSA-N 1 1 509.694 5.667 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000033429024 553959805 /nfs/dbraw/zinc/95/98/05/553959805.db2.gz DMBVCXJRXPFFAC-IAPPQJPRSA-N 1 1 505.449 5.649 50 0 KKAAMO COc1cccc(Cn2c(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc3oc(C)cc32)c1 ZINC000033688545 553968226 /nfs/dbraw/zinc/96/82/26/553968226.db2.gz GMFTVSRSWVURKM-UHFFFAOYSA-N 1 1 519.645 6.147 50 0 KKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4cccc(F)c4)cc3[C@@H]2c2ccccc2)c1 ZINC000034671851 553982426 /nfs/dbraw/zinc/98/24/26/553982426.db2.gz JGCONOBZURGCRR-BNHRFMORSA-N 1 1 508.637 6.366 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671779 553982554 /nfs/dbraw/zinc/98/25/54/553982554.db2.gz NUKYPGXWXORPRV-NOCHOARKSA-N 1 1 518.701 6.925 50 0 KKAAMO Cc1ccc(N(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000034683757 553986300 /nfs/dbraw/zinc/98/63/00/553986300.db2.gz BHUWBKPEWFZXKK-UHFFFAOYSA-N 1 1 523.020 6.527 50 0 KKAAMO O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@H+](Cc2ccccc2)CC3)o1 ZINC000034685562 553986966 /nfs/dbraw/zinc/98/69/66/553986966.db2.gz CXPHXTMJGUBBCI-GMCHKSTQSA-N 1 1 522.645 5.915 50 0 KKAAMO O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)oc(=S)n2CN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000097980634 553990325 /nfs/dbraw/zinc/99/03/25/553990325.db2.gz VZLLQWBNTXNCIH-RMKNXTFCSA-N 1 1 555.125 5.706 50 0 KKAAMO Cc1ccc(C(=O)N(C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000034698698 553991485 /nfs/dbraw/zinc/99/14/85/553991485.db2.gz AVKSALOHMDYIGJ-LEAFIULHSA-N 1 1 512.591 6.919 50 0 KKAAMO Cc1ccc(C(=O)N2CCN(C3CCCC3)CC2)c(C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)n1 ZINC000034725984 553997046 /nfs/dbraw/zinc/99/70/46/553997046.db2.gz HGJCQDMMHFDFLS-UHFFFAOYSA-N 1 1 514.636 5.489 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034829609 554012084 /nfs/dbraw/zinc/01/20/84/554012084.db2.gz UVIVSZSWSGRXKL-DJUQAAIZSA-N 1 1 531.722 5.248 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034829609 554012087 /nfs/dbraw/zinc/01/20/87/554012087.db2.gz UVIVSZSWSGRXKL-DJUQAAIZSA-N 1 1 531.722 5.248 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000034829715 554012550 /nfs/dbraw/zinc/01/25/50/554012550.db2.gz GIALBAPEFMMVAR-HRFSGMKKSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@H](C)C2)cc1 ZINC000034829715 554012547 /nfs/dbraw/zinc/01/25/47/554012547.db2.gz GIALBAPEFMMVAR-HRFSGMKKSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000034829958 554013669 /nfs/dbraw/zinc/01/36/69/554013669.db2.gz KSJIYJMMQOSFBH-SKCUWOTOSA-N 1 1 502.684 5.077 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000034829958 554013671 /nfs/dbraw/zinc/01/36/71/554013671.db2.gz KSJIYJMMQOSFBH-SKCUWOTOSA-N 1 1 502.684 5.077 50 0 KKAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034830124 554014443 /nfs/dbraw/zinc/01/44/43/554014443.db2.gz JPOOTSDVFNVPJE-ZTOMLWHTSA-N 1 1 501.696 5.021 50 0 KKAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830247 554014724 /nfs/dbraw/zinc/01/47/24/554014724.db2.gz MIOIMFUAKFSCJR-OUTSHDOLSA-N 1 1 509.760 5.671 50 0 KKAAMO Cc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830387 554015750 /nfs/dbraw/zinc/01/57/50/554015750.db2.gz GLOXOEOMNNNGES-FIPFOOKPSA-N 1 1 501.696 5.076 50 0 KKAAMO Cc1cccc([C@@H](CC(=O)NCCC[NH+]2CCOCC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)c1 ZINC000035189699 554041304 /nfs/dbraw/zinc/04/13/04/554041304.db2.gz WTWFDMBVRMGWIR-GDLZYMKVSA-N 1 1 513.657 5.498 50 0 KKAAMO O=C(c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097999919 554047193 /nfs/dbraw/zinc/04/71/93/554047193.db2.gz XEFXRWJRZCATNN-FYYLOGMGSA-N 1 1 630.534 6.915 50 0 KKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(OC)cc2)C[N@H+](C)CC4)cc1 ZINC000035427156 554050693 /nfs/dbraw/zinc/05/06/93/554050693.db2.gz HNNGRNPAYCYPEG-MUUNZHRXSA-N 1 1 528.678 6.071 50 0 KKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(OC)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427156 554050691 /nfs/dbraw/zinc/05/06/91/554050691.db2.gz HNNGRNPAYCYPEG-MUUNZHRXSA-N 1 1 528.678 6.071 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)cc(C)c2)CC[N@H+](C)C4)cc1 ZINC000035427147 554050731 /nfs/dbraw/zinc/05/07/31/554050731.db2.gz ZQLICQGLNWYPFG-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)cc(C)c2)CC[N@@H+](C)C4)cc1 ZINC000035427147 554050734 /nfs/dbraw/zinc/05/07/34/554050734.db2.gz ZQLICQGLNWYPFG-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2)CC[N@H+](C)C4)cc1 ZINC000035427169 554050750 /nfs/dbraw/zinc/05/07/50/554050750.db2.gz HHYIBPPZMKETJT-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2)CC[N@@H+](C)C4)cc1 ZINC000035427169 554050753 /nfs/dbraw/zinc/05/07/53/554050753.db2.gz HHYIBPPZMKETJT-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)cc(C)c2)CC[N@H+](C)C4)cc1 ZINC000035427145 554050828 /nfs/dbraw/zinc/05/08/28/554050828.db2.gz ZQLICQGLNWYPFG-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)cc(C)c2)CC[N@@H+](C)C4)cc1 ZINC000035427145 554050831 /nfs/dbraw/zinc/05/08/31/554050831.db2.gz ZQLICQGLNWYPFG-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427214 554050955 /nfs/dbraw/zinc/05/09/55/554050955.db2.gz WCPRXGDSMRYIJW-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427214 554050957 /nfs/dbraw/zinc/05/09/57/554050957.db2.gz WCPRXGDSMRYIJW-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427206 554051051 /nfs/dbraw/zinc/05/10/51/554051051.db2.gz UJMGFRNBQMFJMP-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427206 554051053 /nfs/dbraw/zinc/05/10/53/554051053.db2.gz UJMGFRNBQMFJMP-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCc2ccc(F)cc2)CC[N@H+](C)C4)cc1 ZINC000035427192 554051059 /nfs/dbraw/zinc/05/10/59/554051059.db2.gz NAEJLWBACWRHLN-MHZLTWQESA-N 1 1 516.642 5.489 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCc2ccc(F)cc2)CC[N@@H+](C)C4)cc1 ZINC000035427192 554051062 /nfs/dbraw/zinc/05/10/62/554051062.db2.gz NAEJLWBACWRHLN-MHZLTWQESA-N 1 1 516.642 5.489 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(F)c2)CC[N@@H+](C)C4)cc1 ZINC000035427171 554051111 /nfs/dbraw/zinc/05/11/11/554051111.db2.gz NXGRHTWJKNVWQI-MHZLTWQESA-N 1 1 516.642 6.120 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(F)c2)CC[N@H+](C)C4)cc1 ZINC000035427171 554051109 /nfs/dbraw/zinc/05/11/09/554051109.db2.gz NXGRHTWJKNVWQI-MHZLTWQESA-N 1 1 516.642 6.120 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)c1 ZINC000035427220 554051158 /nfs/dbraw/zinc/05/11/58/554051158.db2.gz PPGLHCXLAOPWOS-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)c1 ZINC000035427220 554051154 /nfs/dbraw/zinc/05/11/54/554051154.db2.gz PPGLHCXLAOPWOS-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(F)ccc2F)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427262 554051568 /nfs/dbraw/zinc/05/15/68/554051568.db2.gz MAPMXPXSBGKCMR-VWLOTQADSA-N 1 1 508.569 6.081 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(F)ccc2F)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427262 554051564 /nfs/dbraw/zinc/05/15/64/554051564.db2.gz MAPMXPXSBGKCMR-VWLOTQADSA-N 1 1 508.569 6.081 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NCCc2ccccc2)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427276 554051692 /nfs/dbraw/zinc/05/16/92/554051692.db2.gz SUEBUGYHNTZAJC-HHHXNRCGSA-N 1 1 500.643 5.523 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NCCc2ccccc2)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427276 554051689 /nfs/dbraw/zinc/05/16/89/554051689.db2.gz SUEBUGYHNTZAJC-HHHXNRCGSA-N 1 1 500.643 5.523 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2C)CC[N@H+](C)C4)c1 ZINC000035427317 554051875 /nfs/dbraw/zinc/05/18/75/554051875.db2.gz MQOPNOCOZLWHCB-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2C)CC[N@@H+](C)C4)c1 ZINC000035427317 554051880 /nfs/dbraw/zinc/05/18/80/554051880.db2.gz MQOPNOCOZLWHCB-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2)CC[N@H+](C)C4)c1 ZINC000035427319 554052046 /nfs/dbraw/zinc/05/20/46/554052046.db2.gz XSBUNCABLKOOGN-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2)CC[N@@H+](C)C4)c1 ZINC000035427319 554052049 /nfs/dbraw/zinc/05/20/49/554052049.db2.gz XSBUNCABLKOOGN-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c(C)c1 ZINC000035427370 554052384 /nfs/dbraw/zinc/05/23/84/554052384.db2.gz LMUGDIJYLVRJNK-HHHXNRCGSA-N 1 1 517.098 6.934 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c(C)c1 ZINC000035427370 554052387 /nfs/dbraw/zinc/05/23/87/554052387.db2.gz LMUGDIJYLVRJNK-HHHXNRCGSA-N 1 1 517.098 6.934 50 0 KKAAMO O=C(c1cc(-c2ccccc2)nc2ccc(F)cc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000035709965 554066021 /nfs/dbraw/zinc/06/60/21/554066021.db2.gz GBUVAACJMGRRJV-UHFFFAOYSA-N 1 1 501.605 6.588 50 0 KKAAMO O=C(c1cc(-c2ccco2)nn1-c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000035728021 554068712 /nfs/dbraw/zinc/06/87/12/554068712.db2.gz RQCAOSVHWMUFSW-UHFFFAOYSA-N 1 1 506.581 5.819 50 0 KKAAMO O=C(c1ccc(C(F)(F)F)cc1)N(CCC[NH+]1CCOCC1)CCc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000098009780 554071019 /nfs/dbraw/zinc/07/10/19/554071019.db2.gz WQQVDXXIHCSZFG-UHFFFAOYSA-N 1 1 556.507 5.181 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cc(OC)cc(OC)c2)CC1 ZINC000035768426 554072141 /nfs/dbraw/zinc/07/21/41/554072141.db2.gz MTJKMYZHAADMIR-GDLZYMKVSA-N 1 1 529.656 5.532 50 0 KKAAMO Cc1ccc2c(c1)N(Cc1ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc1)C(=O)CO2 ZINC000035829623 554079841 /nfs/dbraw/zinc/07/98/41/554079841.db2.gz NRJSFQUAFUYAQL-UHFFFAOYSA-N 1 1 531.656 5.468 50 0 KKAAMO CC(C)(C)c1ccc(Cn2cccc2C[N@@H+](C[C@H](O)COCc2ccccc2)CC2CCCCC2)cc1 ZINC000035840717 554080400 /nfs/dbraw/zinc/08/04/00/554080400.db2.gz DSDCJVXYGNFFOM-YTTGMZPUSA-N 1 1 502.743 6.794 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)C(C)C ZINC000035842603 554081121 /nfs/dbraw/zinc/08/11/21/554081121.db2.gz HZKZHBPVVRKOIZ-PMERELPUSA-N 1 1 521.746 5.392 50 0 KKAAMO CC(C)(C)c1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)C[N@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000035842747 554081719 /nfs/dbraw/zinc/08/17/19/554081719.db2.gz QKNCFVRJJBCKBH-UHFFFAOYSA-N 1 1 528.140 7.355 50 0 KKAAMO CC(C)(C)c1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)C[N@@H+](Cc2ccc(Cl)cc2)C2CC2)cc1 ZINC000035842747 554081722 /nfs/dbraw/zinc/08/17/22/554081722.db2.gz QKNCFVRJJBCKBH-UHFFFAOYSA-N 1 1 528.140 7.355 50 0 KKAAMO Cn1cc([C@@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cccc(F)c2)c2ccccc21 ZINC000035891830 554090956 /nfs/dbraw/zinc/09/09/56/554090956.db2.gz ZOSJEHIVIJYEDD-HKBQPEDESA-N 1 1 531.675 6.773 50 0 KKAAMO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000035908058 554092344 /nfs/dbraw/zinc/09/23/44/554092344.db2.gz XCNDMYKLQOKWQU-AHWVRZQESA-N 1 1 513.629 5.031 50 0 KKAAMO CCCCc1nc2c(c(C)nn2-c2ccccc2)c(N2CCC[N@@H+](Cc3cc(OC)ccc3OC)CC2)n1 ZINC000035924696 554097108 /nfs/dbraw/zinc/09/71/08/554097108.db2.gz TVKVYQZRMUSTDF-UHFFFAOYSA-N 1 1 514.674 5.196 50 0 KKAAMO Cc1nc(SCc2cccc(C(=O)N3CC[NH+](C)CC3)c2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000098015330 554098164 /nfs/dbraw/zinc/09/81/64/554098164.db2.gz XXDCOYLFZJZRQF-UHFFFAOYSA-N 1 1 584.712 5.119 50 0 KKAAMO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@@H+](Cc4cccc(C)c4)CC3)n2)cc1 ZINC000035927823 554101170 /nfs/dbraw/zinc/10/11/70/554101170.db2.gz DXIVBQYANQXURI-UHFFFAOYSA-N 1 1 502.666 5.735 50 0 KKAAMO Cc1cccc(Oc2cnn(-c3ccccc3Cl)c(=O)c2Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000098015656 554101237 /nfs/dbraw/zinc/10/12/37/554101237.db2.gz YMDZQYFPGFZICP-UHFFFAOYSA-N 1 1 530.028 5.118 50 0 KKAAMO C[C@H]1CN(c2cc(Cl)nc(SCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)CCN1C(=O)c1cccc(F)c1 ZINC000098017335 554107668 /nfs/dbraw/zinc/10/76/68/554107668.db2.gz UWKGYEPQQWWYDA-VWLOTQADSA-N 1 1 659.231 5.646 50 0 KKAAMO CCCCCCc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccccc2)cc1 ZINC000098017915 554111084 /nfs/dbraw/zinc/11/10/84/554111084.db2.gz BXQQPJXRRFJBLU-UHFFFAOYSA-N 1 1 559.751 5.796 50 0 KKAAMO COC(=O)c1ccc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)o1 ZINC000098020066 554116496 /nfs/dbraw/zinc/11/64/96/554116496.db2.gz JBPSBDOSMZYZHT-UHFFFAOYSA-N 1 1 570.517 6.584 50 0 KKAAMO COC(=O)c1ccc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)o1 ZINC000098020066 554116498 /nfs/dbraw/zinc/11/64/98/554116498.db2.gz JBPSBDOSMZYZHT-UHFFFAOYSA-N 1 1 570.517 6.584 50 0 KKAAMO CCOC(=O)CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(C)C ZINC000098020074 554116560 /nfs/dbraw/zinc/11/65/60/554116560.db2.gz GGSRVBGQXWSWJL-UHFFFAOYSA-N 1 1 546.539 6.347 50 0 KKAAMO CCn1cc([C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cccc(Cl)c2)c2ccccc21 ZINC000098021321 554118157 /nfs/dbraw/zinc/11/81/57/554118157.db2.gz LORKNIOPVFGFNF-JGCGQSQUSA-N 1 1 562.157 7.770 50 0 KKAAMO Cc1nc(SCc2cccc(C(=O)NC3CC3)c2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000036064121 554162874 /nfs/dbraw/zinc/16/28/74/554162874.db2.gz GNTGRPOIRFEABV-YRNVUSSQSA-N 1 1 513.711 5.113 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000036067303 554165509 /nfs/dbraw/zinc/16/55/09/554165509.db2.gz QVFDTSQHELWKNC-IPIYWATJSA-N 1 1 507.763 5.680 50 0 KKAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3cccc(C(F)(F)F)c3)[C@@H](C)C(C)C)n2)C1 ZINC000036069187 554166010 /nfs/dbraw/zinc/16/60/10/554166010.db2.gz MTGSXIHYCJSSAY-ICSRJNTNSA-N 1 1 509.569 5.155 50 0 KKAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3cccc(C(F)(F)F)c3)[C@@H](C)C(C)C)n2)C1 ZINC000036069187 554166014 /nfs/dbraw/zinc/16/60/14/554166014.db2.gz MTGSXIHYCJSSAY-ICSRJNTNSA-N 1 1 509.569 5.155 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146751 554198139 /nfs/dbraw/zinc/19/81/39/554198139.db2.gz MIZTXTUWYORWFL-GOTSBHOMSA-N 1 1 517.428 5.876 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146751 554198141 /nfs/dbraw/zinc/19/81/41/554198141.db2.gz MIZTXTUWYORWFL-GOTSBHOMSA-N 1 1 517.428 5.876 50 0 KKAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146791 554198145 /nfs/dbraw/zinc/19/81/45/554198145.db2.gz NWXYRCUVHTYKDD-UNMCSNQZSA-N 1 1 507.389 5.298 50 0 KKAAMO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3ccc(F)cc3)c3ccc(F)cc3)o2)Cc2ccccc2)cc1 ZINC000036157134 554198719 /nfs/dbraw/zinc/19/87/19/554198719.db2.gz ALPFBKUYDBPFEL-UHFFFAOYSA-N 1 1 509.596 7.353 50 0 KKAAMO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)Cc2ccccc2)cc1 ZINC000036157130 554198736 /nfs/dbraw/zinc/19/87/36/554198736.db2.gz ALZMBABESGATEL-UHFFFAOYSA-N 1 1 509.596 7.353 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000036188939 554200512 /nfs/dbraw/zinc/20/05/12/554200512.db2.gz WRMUBWJLNBOBFT-UHFFFAOYSA-N 1 1 514.450 5.024 50 0 KKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(C)cc1 ZINC000036202831 554200628 /nfs/dbraw/zinc/20/06/28/554200628.db2.gz LWAKAQBOWXCBQP-UHFFFAOYSA-N 1 1 515.650 5.928 50 0 KKAAMO Cc1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)s1 ZINC000036203600 554201052 /nfs/dbraw/zinc/20/10/52/554201052.db2.gz MUDWVQPNKKPBAD-UHFFFAOYSA-N 1 1 502.680 5.268 50 0 KKAAMO Cc1ccc(C[N@H+](CCN2CCOCC2)Cc2ccc(C(O)(c3ccccc3)c3ccccc3)o2)s1 ZINC000036203600 554201049 /nfs/dbraw/zinc/20/10/49/554201049.db2.gz MUDWVQPNKKPBAD-UHFFFAOYSA-N 1 1 502.680 5.268 50 0 KKAAMO Cc1ccccc1C[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)C[C@H]1CCCO1 ZINC000036203252 554201095 /nfs/dbraw/zinc/20/10/95/554201095.db2.gz IMFHNUOKKPMJII-MUUNZHRXSA-N 1 1 503.589 6.332 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3ccccc3C)C[C@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036203200 554201159 /nfs/dbraw/zinc/20/11/59/554201159.db2.gz INJLQJGIFXVUKB-SSEXGKCCSA-N 1 1 527.661 6.071 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@H](C(=O)c2ccc(C(C)C)cc2)[C@H](c2ccco2)C[N@H+]3C)c1 ZINC000036208048 554203044 /nfs/dbraw/zinc/20/30/44/554203044.db2.gz BSBCUWSLTMAFCG-STCQLREZSA-N 1 1 532.684 6.990 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@H](C(=O)c2ccc(C(C)C)cc2)[C@H](c2ccco2)C[N@@H+]3C)c1 ZINC000036208048 554203042 /nfs/dbraw/zinc/20/30/42/554203042.db2.gz BSBCUWSLTMAFCG-STCQLREZSA-N 1 1 532.684 6.990 50 0 KKAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)Cc1ccccc1 ZINC000036302560 554212864 /nfs/dbraw/zinc/21/28/64/554212864.db2.gz LAYSIIYEMYVOKK-AREMUKBSSA-N 1 1 501.627 5.381 50 0 KKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)Cc1ccccc1 ZINC000036302560 554212867 /nfs/dbraw/zinc/21/28/67/554212867.db2.gz LAYSIIYEMYVOKK-AREMUKBSSA-N 1 1 501.627 5.381 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000036303229 554213250 /nfs/dbraw/zinc/21/32/50/554213250.db2.gz GNYFCRAJPJPWES-MHZLTWQESA-N 1 1 515.629 5.908 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000036303229 554213251 /nfs/dbraw/zinc/21/32/51/554213251.db2.gz GNYFCRAJPJPWES-MHZLTWQESA-N 1 1 515.629 5.908 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000036303538 554213292 /nfs/dbraw/zinc/21/32/92/554213292.db2.gz NQDQCBLOTFRIRX-DQEYMECFSA-N 1 1 528.093 5.641 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000036303538 554213295 /nfs/dbraw/zinc/21/32/95/554213295.db2.gz NQDQCBLOTFRIRX-DQEYMECFSA-N 1 1 528.093 5.641 50 0 KKAAMO CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COCc1ccccc1)C(C)C ZINC000036303430 554213366 /nfs/dbraw/zinc/21/33/66/554213366.db2.gz HKQGNEHQNXNDKF-MHZLTWQESA-N 1 1 517.645 6.154 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CC(C)C)C[C@@H](O)COC(C)(C)C ZINC000036303982 554213716 /nfs/dbraw/zinc/21/37/16/554213716.db2.gz UMDSXBYOFNWKPS-HSZRJFAPSA-N 1 1 501.618 5.885 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000036303574 554213843 /nfs/dbraw/zinc/21/38/43/554213843.db2.gz RISILECNKILUOF-MHZLTWQESA-N 1 1 532.084 6.416 50 0 KKAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COc3ccccc3C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306573 554215905 /nfs/dbraw/zinc/21/59/05/554215905.db2.gz VJIVAKBLVRFKIZ-HHHXNRCGSA-N 1 1 511.666 6.148 50 0 KKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@@H](O)COCc1ccccc1 ZINC000036306627 554215913 /nfs/dbraw/zinc/21/59/13/554215913.db2.gz XBIAAOTXVYFJPU-AREMUKBSSA-N 1 1 517.645 6.054 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)COCc2ccco2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307282 554216436 /nfs/dbraw/zinc/21/64/36/554216436.db2.gz OAJPBJDNVYUPCY-DEOSSOPVSA-N 1 1 505.590 5.401 50 0 KKAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(Cc2ccccc2)C(=O)c2cccc(F)c2)CC1 ZINC000036312113 554218426 /nfs/dbraw/zinc/21/84/26/554218426.db2.gz YGCQCYYRXSICMH-UHFFFAOYSA-N 1 1 502.565 5.214 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036313688 554219007 /nfs/dbraw/zinc/21/90/07/554219007.db2.gz IEIMPELPBTVISD-RPBOFIJWSA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036313688 554219010 /nfs/dbraw/zinc/21/90/10/554219010.db2.gz IEIMPELPBTVISD-RPBOFIJWSA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036313706 554219222 /nfs/dbraw/zinc/21/92/22/554219222.db2.gz KNDBSYSJMYCHAX-HSZRJFAPSA-N 1 1 502.055 5.252 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036313706 554219216 /nfs/dbraw/zinc/21/92/16/554219216.db2.gz KNDBSYSJMYCHAX-HSZRJFAPSA-N 1 1 502.055 5.252 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](Cc3ccco3)C[C@@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316011 554219575 /nfs/dbraw/zinc/21/95/75/554219575.db2.gz JYFNFEDHXGAPQP-RUZDIDTESA-N 1 1 503.643 5.817 50 0 KKAAMO Cc1ccc(Oc2c(C[N@H+](Cc3ccco3)C[C@@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316011 554219579 /nfs/dbraw/zinc/21/95/79/554219579.db2.gz JYFNFEDHXGAPQP-RUZDIDTESA-N 1 1 503.643 5.817 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](Cc3ccco3)C[C@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316014 554219654 /nfs/dbraw/zinc/21/96/54/554219654.db2.gz MXQWQWXGVFDISY-DEOSSOPVSA-N 1 1 503.643 5.959 50 0 KKAAMO Cc1ccc(Oc2c(C[N@H+](Cc3ccco3)C[C@H](O)COC(C)(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316014 554219655 /nfs/dbraw/zinc/21/96/55/554219655.db2.gz MXQWQWXGVFDISY-DEOSSOPVSA-N 1 1 503.643 5.959 50 0 KKAAMO COc1cccc(C[NH+]2CCN(c3nc(Cc4ccccc4)nc4c3c(C)nn4-c3ccc(F)cc3)CC2)c1 ZINC000037379894 554237171 /nfs/dbraw/zinc/23/71/71/554237171.db2.gz BZRDAYCGDALIOE-UHFFFAOYSA-N 1 1 522.628 5.185 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccc(C)cc4)n3-c3ccccc3C)cc2)CC1 ZINC000037398428 554240557 /nfs/dbraw/zinc/24/05/57/554240557.db2.gz WDEYNCKAMRHXPY-UHFFFAOYSA-N 1 1 511.695 5.621 50 0 KKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037524383 554250316 /nfs/dbraw/zinc/25/03/16/554250316.db2.gz JOXAZIBYPQVCCB-RPLLCQBOSA-N 1 1 510.600 6.127 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000037524399 554250446 /nfs/dbraw/zinc/25/04/46/554250446.db2.gz NUXSDKUBJGTUSZ-LMSSTIIKSA-N 1 1 508.628 7.028 50 0 KKAAMO Cc1ccccc1Cn1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc2sc(Br)cc21 ZINC000037541595 554250775 /nfs/dbraw/zinc/25/07/75/554250775.db2.gz IMFFNHAVELTTDV-UHFFFAOYSA-N 1 1 508.485 5.780 50 0 KKAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc2c(c1)OCO2)C1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000037587453 554252955 /nfs/dbraw/zinc/25/29/55/554252955.db2.gz UKKHIDAEGYBVJF-UHFFFAOYSA-N 1 1 502.995 5.068 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000038146810 554269911 /nfs/dbraw/zinc/26/99/11/554269911.db2.gz SKRXFKGFKFOOKW-IWIKFHKFSA-N 1 1 547.696 5.537 50 0 KKAAMO COc1cc(NC(=O)C(C)(C)N(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)C(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000043883932 554300212 /nfs/dbraw/zinc/30/02/12/554300212.db2.gz OOABJYJUKFWDEH-HFZDXXHNSA-N 1 1 528.093 5.481 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)NCc3ccccc3)nc3sc4c(c3c2=O)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000053340678 554344157 /nfs/dbraw/zinc/34/41/57/554344157.db2.gz XKASQJBDTPQJID-UHFFFAOYSA-N 1 1 566.752 5.722 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)NCc3ccccc3)nc3sc4c(c3c2=O)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000053340678 554344160 /nfs/dbraw/zinc/34/41/60/554344160.db2.gz XKASQJBDTPQJID-UHFFFAOYSA-N 1 1 566.752 5.722 50 0 KKAAMO CC(C)[N@@H+](CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)Cc1ccccc1 ZINC000053371778 554348101 /nfs/dbraw/zinc/34/81/01/554348101.db2.gz MTYXOPDWTUXEPC-VQJSHJPSSA-N 1 1 586.157 6.308 50 0 KKAAMO COc1cc(N2CCC(O)CC2)ccc1Nc1cc(Nc2ccccc2S(=O)(=O)C(C)C)c2cc[nH]c2[nH+]1 ZINC000058661129 554365325 /nfs/dbraw/zinc/36/53/25/554365325.db2.gz NMJMRSQTDLRCRQ-UHFFFAOYSA-N 1 1 535.670 5.202 50 0 in-vitro KKAAMO CCOc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000059646187 554417237 /nfs/dbraw/zinc/41/72/37/554417237.db2.gz AJRDQILBWTZWJR-UHFFFAOYSA-N 1 1 569.727 5.214 50 0 KKAAMO CCOc1ccccc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccccc1 ZINC000059652197 554419535 /nfs/dbraw/zinc/41/95/35/554419535.db2.gz NXHLNMLQEKYNOG-UHFFFAOYSA-N 1 1 569.727 5.214 50 0 KKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818111 554478510 /nfs/dbraw/zinc/47/85/10/554478510.db2.gz JNXPWJORBZVRKS-UHFFFAOYSA-N 1 1 538.720 5.050 50 0 KKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818111 554478511 /nfs/dbraw/zinc/47/85/11/554478511.db2.gz JNXPWJORBZVRKS-UHFFFAOYSA-N 1 1 538.720 5.050 50 0 KKAAMO COc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC000100818153 554478517 /nfs/dbraw/zinc/47/85/17/554478517.db2.gz GJCBCYHTKWNGMA-UHFFFAOYSA-N 1 1 571.724 6.861 50 0 KKAAMO COc1cc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc(OC)c1OC ZINC000100818153 554478518 /nfs/dbraw/zinc/47/85/18/554478518.db2.gz GJCBCYHTKWNGMA-UHFFFAOYSA-N 1 1 571.724 6.861 50 0 KKAAMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(-n3nnc(-c4cc(OC)c(OC)cc4NC(=O)c4cc(=O)c5ccccc5o4)n3)cc1)CC2 ZINC000068014383 554538181 /nfs/dbraw/zinc/53/81/81/554538181.db2.gz AHJUHHDDCJQACA-UHFFFAOYSA-N 1 1 688.741 5.323 50 0 in-vivo KKAAMO CC(C)(C)c1cc(C(=O)N2CC[NH+](CCCOC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)n(Cc2ccccc2)n1 ZINC000101108572 554640727 /nfs/dbraw/zinc/64/07/27/554640727.db2.gz VNNGDLZJYXYSJT-UHFFFAOYSA-N 1 1 619.637 7.490 50 0 KKAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101206663 554676406 /nfs/dbraw/zinc/67/64/06/554676406.db2.gz UDUNPWMGWDRQOU-ZLMQMPPYSA-N 1 1 619.206 5.099 50 0 biogenic KKAAMO Cc1cccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)CC2)c1 ZINC000101215527 554681500 /nfs/dbraw/zinc/68/15/00/554681500.db2.gz WHRMEUNUENWAKF-UHFFFAOYSA-N 1 1 538.051 5.777 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254824 554695568 /nfs/dbraw/zinc/69/55/68/554695568.db2.gz WRWGMUDWADOOMG-YTTGMZPUSA-N 1 1 629.827 5.023 50 0 KKAAMO O=C(C[C@@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000101255154 554696558 /nfs/dbraw/zinc/69/65/58/554696558.db2.gz SZYWYLIXTSSIGU-MUUNZHRXSA-N 1 1 594.156 5.018 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000101266883 554699283 /nfs/dbraw/zinc/69/92/83/554699283.db2.gz NMCVCSCUZWDKLQ-GGKJBDKJSA-N 1 1 545.038 6.630 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(Cl)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000101266883 554699285 /nfs/dbraw/zinc/69/92/85/554699285.db2.gz NMCVCSCUZWDKLQ-GGKJBDKJSA-N 1 1 545.038 6.630 50 0 KKAAMO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000101322614 554728495 /nfs/dbraw/zinc/72/84/95/554728495.db2.gz SYNOOMUDFGITSO-UHFFFAOYSA-N 1 1 564.148 5.165 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000101341546 554735524 /nfs/dbraw/zinc/73/55/24/554735524.db2.gz YFGKOZWXRWYBSB-RCRUUEGKSA-N 1 1 583.795 5.444 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101367613 554743953 /nfs/dbraw/zinc/74/39/53/554743953.db2.gz XOKGYGURRAUQBS-UOWMXVQPSA-N 1 1 589.091 7.111 50 0 KKAAMO CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc21 ZINC000101374223 554745775 /nfs/dbraw/zinc/74/57/75/554745775.db2.gz IPQJTOYWXDRQEK-RRAHZORUSA-N 1 1 565.114 5.531 50 0 KKAAMO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1 ZINC000101378448 554747480 /nfs/dbraw/zinc/74/74/80/554747480.db2.gz OCSSPPVRIBPKRC-JGNKLCKRSA-N 1 1 542.120 5.871 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000101416108 554765045 /nfs/dbraw/zinc/76/50/45/554765045.db2.gz ZUJVEUBXNUQCIQ-SZPZYZBQSA-N 1 1 580.150 5.431 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1[S@@]2=O ZINC000101416200 554765081 /nfs/dbraw/zinc/76/50/81/554765081.db2.gz JPRGNBFNNXQAKX-VZUYHUTRSA-N 1 1 596.728 5.095 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 ZINC000101416833 554765853 /nfs/dbraw/zinc/76/58/53/554765853.db2.gz QXDBAJKPQJROPJ-UHFFFAOYSA-N 1 1 563.695 5.203 50 0 KKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000101506510 554790178 /nfs/dbraw/zinc/79/01/78/554790178.db2.gz DMQUOEYURNGXTN-VAMRJTSQSA-N 1 1 541.761 6.835 50 0 KKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1)C1CCCCC1 ZINC000101506322 554790181 /nfs/dbraw/zinc/79/01/81/554790181.db2.gz WWZYXVHFYPUPEF-LPTXXCRRSA-N 1 1 595.853 8.146 50 0 KKAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cc(C)ccc4C)C3=O)cc2)CC1 ZINC000101507232 554791197 /nfs/dbraw/zinc/79/11/97/554791197.db2.gz GROGGJMCBGIGCN-AWSUPERCSA-N 1 1 568.787 5.741 50 0 KKAAMO CCOc1cc2sc(N3CCC(C(=O)NCCC[N@@H+](C)C4CCCCC4)CC3)nc2cc1Br ZINC000101582967 554800964 /nfs/dbraw/zinc/80/09/64/554800964.db2.gz RTWLGIKBEJSQFO-UHFFFAOYSA-N 1 1 537.568 5.445 50 0 KKAAMO CC(C)[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000101602282 554804342 /nfs/dbraw/zinc/80/43/42/554804342.db2.gz WRMFJFZIIJJBEM-RWJVBYDYSA-N 1 1 578.978 5.049 50 0 KKAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)C[C@@H]2C)c1 ZINC000101617986 554806428 /nfs/dbraw/zinc/80/64/28/554806428.db2.gz DQWOZLGJVALEIT-WXKJZWBCSA-N 1 1 558.792 5.710 50 0 KKAAMO Cc1cc(C)c(NC(=S)N(CCC[N@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c(C)c1 ZINC000101633852 554812189 /nfs/dbraw/zinc/81/21/89/554812189.db2.gz WBKLPHMXUQZNFZ-UHFFFAOYSA-N 1 1 551.244 7.969 50 0 KKAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000101636873 554813144 /nfs/dbraw/zinc/81/31/44/554813144.db2.gz DWERBXWKJZHGBE-USYZEHPZSA-N 1 1 627.210 5.605 50 0 KKAAMO Cc1ccccc1CN1C(=O)/C(=C\c2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc2)Sc2ccccc21 ZINC000101636750 554813183 /nfs/dbraw/zinc/81/31/83/554813183.db2.gz RTUKCVKFLZIPMO-KVQDIILNSA-N 1 1 620.794 6.756 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000101843147 554842936 /nfs/dbraw/zinc/84/29/36/554842936.db2.gz DFSIEZWLZUDNIX-IHLOFXLRSA-N 1 1 544.765 5.009 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccccc3Br)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101904055 554848033 /nfs/dbraw/zinc/84/80/33/554848033.db2.gz OMWWCZQJFPGNIW-SANMLTNESA-N 1 1 597.579 5.199 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)C34CC5CC(CC(C5)C3)C4)cc2S(=O)(=O)N[C@H](C)c2ccccc2)CC1 ZINC000101904102 554848045 /nfs/dbraw/zinc/84/80/45/554848045.db2.gz QMIVAHOQOPXZIH-GNXAHBMVSA-N 1 1 550.769 5.023 50 0 KKAAMO COc1cc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@@H+](C)CC4)cc1Cl ZINC000101916479 554850324 /nfs/dbraw/zinc/85/03/24/554850324.db2.gz DDXGGOLCUCKJLU-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1cc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@H+](C)CC4)cc1Cl ZINC000101916479 554850327 /nfs/dbraw/zinc/85/03/27/554850327.db2.gz DDXGGOLCUCKJLU-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(OC)cc3)on2)CC1 ZINC000101917492 554850934 /nfs/dbraw/zinc/85/09/34/554850934.db2.gz NVFONCQMTXUTEG-UHFFFAOYSA-N 1 1 560.651 5.312 50 0 KKAAMO COc1ccc2ccccc2c1C[N@@H+]1C[C@@H](Sc2ncccn2)C[C@H]1C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000101934830 554852019 /nfs/dbraw/zinc/85/20/19/554852019.db2.gz OKTDPPAPEDNHTA-UCGGBYDDSA-N 1 1 587.749 6.855 50 0 KKAAMO COc1ccc2ccccc2c1C[N@H+]1C[C@@H](Sc2ncccn2)C[C@H]1C(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000101934830 554852023 /nfs/dbraw/zinc/85/20/23/554852023.db2.gz OKTDPPAPEDNHTA-UCGGBYDDSA-N 1 1 587.749 6.855 50 0 KKAAMO CC[C@H](C)N(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1nc(Cc2cccc(OC)c2)ns1 ZINC000101954075 554853045 /nfs/dbraw/zinc/85/30/45/554853045.db2.gz ONZQJCSVELKCMG-SANMLTNESA-N 1 1 583.802 6.066 50 0 KKAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)cc2)CC1 ZINC000101979636 554863634 /nfs/dbraw/zinc/86/36/34/554863634.db2.gz YUGIDUUOXHLBSO-LOYHVIPDSA-N 1 1 542.749 5.748 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084828 554876298 /nfs/dbraw/zinc/87/62/98/554876298.db2.gz APQBNYBVYZOZNO-HHHXNRCGSA-N 1 1 560.075 6.617 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084828 554876299 /nfs/dbraw/zinc/87/62/99/554876299.db2.gz APQBNYBVYZOZNO-HHHXNRCGSA-N 1 1 560.075 6.617 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000102096558 554879396 /nfs/dbraw/zinc/87/93/96/554879396.db2.gz BVAVQFUZFPRRSB-MUUNZHRXSA-N 1 1 541.673 6.715 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(OC(=O)c4ccc(C)cc4)c(OC)c2)N3)C1 ZINC000102099663 554881203 /nfs/dbraw/zinc/88/12/03/554881203.db2.gz WWGVJAPQMASXGF-QHCPKHFHSA-N 1 1 556.482 5.854 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102099465 554881261 /nfs/dbraw/zinc/88/12/61/554881261.db2.gz CFMACVDCZGUKLJ-HSZRJFAPSA-N 1 1 556.482 5.935 50 0 KKAAMO Cc1ccc(C)c(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)c1 ZINC000102105104 554882440 /nfs/dbraw/zinc/88/24/40/554882440.db2.gz USYRHMBOTHQROI-UHFFFAOYSA-N 1 1 550.574 7.821 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cnn2-c2ccc(F)cc2F)CC1 ZINC000102132083 554886218 /nfs/dbraw/zinc/88/62/18/554886218.db2.gz OQHMJZQBDSCPHR-UHFFFAOYSA-N 1 1 579.692 5.443 50 0 KKAAMO CC(C)(C)c1ccc(OCC(=O)N2CC[NH+](CCCOC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000102148295 554889409 /nfs/dbraw/zinc/88/94/09/554889409.db2.gz RJYIGRIGORNNDN-UHFFFAOYSA-N 1 1 569.573 7.010 50 0 KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000102370293 554916202 /nfs/dbraw/zinc/91/62/02/554916202.db2.gz YEKWPWNFSXDCDC-CRJTYWNXSA-N 1 1 556.062 5.450 50 0 KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000102370293 554916204 /nfs/dbraw/zinc/91/62/04/554916204.db2.gz YEKWPWNFSXDCDC-CRJTYWNXSA-N 1 1 556.062 5.450 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(C(C)(C)C)cc2)cc1 ZINC000102453544 554933639 /nfs/dbraw/zinc/93/36/39/554933639.db2.gz AXDOLRCHPPPASW-PGUFJCEWSA-N 1 1 607.806 9.120 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccs2)cc1 ZINC000102459117 554935072 /nfs/dbraw/zinc/93/50/72/554935072.db2.gz BLUDEHFCXAXXEX-PMERELPUSA-N 1 1 557.727 7.884 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000102499768 554942234 /nfs/dbraw/zinc/94/22/34/554942234.db2.gz ONVIARMJAUMGMB-HHHXNRCGSA-N 1 1 533.097 6.716 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000102499768 554942237 /nfs/dbraw/zinc/94/22/37/554942237.db2.gz ONVIARMJAUMGMB-HHHXNRCGSA-N 1 1 533.097 6.716 50 0 KKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)cc1 ZINC000102499784 554942268 /nfs/dbraw/zinc/94/22/68/554942268.db2.gz WDOURFRTQOJNME-HHHXNRCGSA-N 1 1 533.097 6.716 50 0 KKAAMO CCOc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)cc1 ZINC000102499784 554942272 /nfs/dbraw/zinc/94/22/72/554942272.db2.gz WDOURFRTQOJNME-HHHXNRCGSA-N 1 1 533.097 6.716 50 0 KKAAMO COc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000102499950 554942562 /nfs/dbraw/zinc/94/25/62/554942562.db2.gz PXNFQKXVVVMUIU-AREMUKBSSA-N 1 1 537.060 6.465 50 0 KKAAMO COc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000102499950 554942564 /nfs/dbraw/zinc/94/25/64/554942564.db2.gz PXNFQKXVVVMUIU-AREMUKBSSA-N 1 1 537.060 6.465 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c(OC)c1 ZINC000102500317 554942929 /nfs/dbraw/zinc/94/29/29/554942929.db2.gz HWUQQRRZJDTPNL-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c(OC)c1 ZINC000102500317 554942932 /nfs/dbraw/zinc/94/29/32/554942932.db2.gz HWUQQRRZJDTPNL-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000102512184 554946577 /nfs/dbraw/zinc/94/65/77/554946577.db2.gz WMPQAORGZVONAJ-NLDZOOGBSA-N 1 1 590.518 5.741 50 0 KKAAMO O=C(c1c(F)cccc1Cl)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000102592464 554974123 /nfs/dbraw/zinc/97/41/23/554974123.db2.gz LMCVUPGJNTZBMX-UHFFFAOYSA-N 1 1 535.874 6.740 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)C1 ZINC000102611964 554981718 /nfs/dbraw/zinc/98/17/18/554981718.db2.gz UVIXXKPZDMCXQT-LAARTVBOSA-N 1 1 574.190 7.118 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccccc2)c1Oc1ccc(F)cc1 ZINC000102620153 554986555 /nfs/dbraw/zinc/98/65/55/554986555.db2.gz KEWSRBYDBZEMBX-MHZLTWQESA-N 1 1 541.623 6.191 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@H](O)COCc2ccccc2)c1Oc1ccc(F)cc1 ZINC000102620153 554986556 /nfs/dbraw/zinc/98/65/56/554986556.db2.gz KEWSRBYDBZEMBX-MHZLTWQESA-N 1 1 541.623 6.191 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCC(C)C ZINC000102661950 555000714 /nfs/dbraw/zinc/00/07/14/555000714.db2.gz BGLJFUADGXHCHS-PMERELPUSA-N 1 1 565.799 5.409 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)N(c3ccccc3)c3ccccc3)nc3sc4c(c3c2=O)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000102663448 555001097 /nfs/dbraw/zinc/00/10/97/555001097.db2.gz NEMINQRKTJKRDY-UHFFFAOYSA-N 1 1 628.823 7.771 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)N(c3ccccc3)c3ccccc3)nc3sc4c(c3c2=O)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000102663448 555001100 /nfs/dbraw/zinc/00/11/00/555001100.db2.gz NEMINQRKTJKRDY-UHFFFAOYSA-N 1 1 628.823 7.771 50 0 KKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)C1 ZINC000102668322 555002160 /nfs/dbraw/zinc/00/21/60/555002160.db2.gz HBTWTKDQQNYNFH-PDSZHRMOSA-N 1 1 560.163 6.872 50 0 KKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)C1 ZINC000102668324 555002233 /nfs/dbraw/zinc/00/22/33/555002233.db2.gz HBTWTKDQQNYNFH-PEEVQDNISA-N 1 1 560.163 6.872 50 0 KKAAMO COc1ccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N2CCN(c3ccccc3F)CC2)cc1 ZINC000102698601 555012112 /nfs/dbraw/zinc/01/21/12/555012112.db2.gz DYGUZRRHWFGNAH-FREGXXQWSA-N 1 1 530.688 5.266 50 0 KKAAMO COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000102737294 555026708 /nfs/dbraw/zinc/02/67/08/555026708.db2.gz TWXKUKLOLJECQZ-IDZRBWSNSA-N 1 1 525.649 5.287 50 0 KKAAMO COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000102737294 555026709 /nfs/dbraw/zinc/02/67/09/555026709.db2.gz TWXKUKLOLJECQZ-IDZRBWSNSA-N 1 1 525.649 5.287 50 0 KKAAMO CC(C)[N@@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000102765166 555054657 /nfs/dbraw/zinc/05/46/57/555054657.db2.gz CQFLRHIARPRXCQ-IMRQLAEWSA-N 1 1 553.650 6.212 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1)Cc1ccccc1 ZINC000102772201 555061241 /nfs/dbraw/zinc/06/12/41/555061241.db2.gz LELLTKBYUXBQKB-JDCMOKTRSA-N 1 1 566.101 6.559 50 0 KKAAMO COc1ccc(C[N@@H+](Cc2ccc(C(O)(c3ccc(OC)cc3)c3ccc(OC)cc3)o2)C[C@H]2CCCO2)cc1 ZINC000102772203 555061275 /nfs/dbraw/zinc/06/12/75/555061275.db2.gz GLTKLDFQPRGYBL-SSEXGKCCSA-N 1 1 543.660 5.771 50 0 KKAAMO COc1ccc(C[N@H+](Cc2ccc(C(O)(c3ccc(OC)cc3)c3ccc(OC)cc3)o2)C[C@H]2CCCO2)cc1 ZINC000102772203 555061276 /nfs/dbraw/zinc/06/12/76/555061276.db2.gz GLTKLDFQPRGYBL-SSEXGKCCSA-N 1 1 543.660 5.771 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1)C1CCCCC1 ZINC000102772656 555061390 /nfs/dbraw/zinc/06/13/90/555061390.db2.gz KJWJYNSXNAGXNA-VAMRJTSQSA-N 1 1 558.122 6.691 50 0 KKAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000102777274 555063126 /nfs/dbraw/zinc/06/31/26/555063126.db2.gz WFEPCZWIHGBCDG-UQRQXUALSA-N 1 1 541.761 6.917 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000102783209 555066601 /nfs/dbraw/zinc/06/66/01/555066601.db2.gz RLEWRWPWBMAVGT-NJRJSVCBSA-N 1 1 546.667 5.983 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000102783209 555066602 /nfs/dbraw/zinc/06/66/02/555066602.db2.gz RLEWRWPWBMAVGT-NJRJSVCBSA-N 1 1 546.667 5.983 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000102839084 555080538 /nfs/dbraw/zinc/08/05/38/555080538.db2.gz GYRPANCBDYEPOZ-QNLPTKCRSA-N 1 1 537.729 5.920 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102840422 555081232 /nfs/dbraw/zinc/08/12/32/555081232.db2.gz CXPDIMBNZQKTGR-PPHZAIPVSA-N 1 1 542.532 5.766 50 0 KKAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102841213 555081731 /nfs/dbraw/zinc/08/17/31/555081731.db2.gz SDNZSLPSCHAZED-AREMUKBSSA-N 1 1 528.505 5.377 50 0 KKAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102841213 555081732 /nfs/dbraw/zinc/08/17/32/555081732.db2.gz SDNZSLPSCHAZED-AREMUKBSSA-N 1 1 528.505 5.377 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000102844038 555084105 /nfs/dbraw/zinc/08/41/05/555084105.db2.gz MUWRZPPTJKTLKH-CHJDUVSTSA-N 1 1 547.740 5.895 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000102844035 555084138 /nfs/dbraw/zinc/08/41/38/555084138.db2.gz MUWRZPPTJKTLKH-RCRUUEGKSA-N 1 1 547.740 5.895 50 0 KKAAMO CCC1=C(C(=O)OC)[C@H](c2cccc(C)c2)N2C(CC(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)=CSC2=N1 ZINC000102936702 555164482 /nfs/dbraw/zinc/16/44/82/555164482.db2.gz ZFFOOHIYXYNSBG-LJAQVGFWSA-N 1 1 544.721 5.176 50 0 KKAAMO CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103035477 555222614 /nfs/dbraw/zinc/22/26/14/555222614.db2.gz HUVULYHTPMWPRH-MHZLTWQESA-N 1 1 538.519 6.072 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103040148 555224867 /nfs/dbraw/zinc/22/48/67/555224867.db2.gz WRQAGDADNSFIDQ-IPBJYNAHSA-N 1 1 563.739 5.777 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000103064959 555245372 /nfs/dbraw/zinc/24/53/72/555245372.db2.gz VCQKEMVKMAUUQW-WJOKGBTCSA-N 1 1 604.235 7.232 50 0 KKAAMO O=C(c1cc(Cl)sc1Cl)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000103101353 555278724 /nfs/dbraw/zinc/27/87/24/555278724.db2.gz STOSVWDGUYNGMD-UHFFFAOYSA-N 1 1 558.358 7.316 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103176376 555327447 /nfs/dbraw/zinc/32/74/47/555327447.db2.gz KCIUKKCHMJAGTE-JGCGQSQUSA-N 1 1 569.790 6.326 50 0 KKAAMO CCn1cc([C@@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000103192767 555334065 /nfs/dbraw/zinc/33/40/65/555334065.db2.gz AHVNGUCHBCWZEH-HKBQPEDESA-N 1 1 571.721 6.846 50 0 KKAAMO Cc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2C[NH+]2CCN(C(=O)Nc3c(C)cccc3C)CC2)cc1 ZINC000103252374 555344533 /nfs/dbraw/zinc/34/45/33/555344533.db2.gz VQLZEDLOXKGEPB-UHFFFAOYSA-N 1 1 564.133 7.597 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)c1Oc1cccc(F)c1 ZINC000103319375 555358730 /nfs/dbraw/zinc/35/87/30/555358730.db2.gz KDSWTMPPBKCXQC-DEOSSOPVSA-N 1 1 531.584 5.784 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)c1Oc1cccc(F)c1 ZINC000103319375 555358731 /nfs/dbraw/zinc/35/87/31/555358731.db2.gz KDSWTMPPBKCXQC-DEOSSOPVSA-N 1 1 531.584 5.784 50 0 KKAAMO O=C(C[C@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1)NCCC[NH+]1CCOCC1 ZINC000103359772 555364407 /nfs/dbraw/zinc/36/44/07/555364407.db2.gz MCGLJMLLNIXXBL-NDEPHWFRSA-N 1 1 534.075 5.843 50 0 KKAAMO CC(C)c1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103363063 555365199 /nfs/dbraw/zinc/36/51/99/555365199.db2.gz FCXWUYCGGPJHNB-CHJDUVSTSA-N 1 1 548.728 6.113 50 0 KKAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000103361389 555365277 /nfs/dbraw/zinc/36/52/77/555365277.db2.gz IPLGIBRMKPSRLG-VWLOTQADSA-N 1 1 529.493 5.379 50 0 KKAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000103361389 555365278 /nfs/dbraw/zinc/36/52/78/555365278.db2.gz IPLGIBRMKPSRLG-VWLOTQADSA-N 1 1 529.493 5.379 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccncc4)n3-c3cccc(C(F)(F)F)c3)cc2)CC1 ZINC000103395224 555379927 /nfs/dbraw/zinc/37/99/27/555379927.db2.gz JBQBZYNRRNTRIN-UHFFFAOYSA-N 1 1 552.626 5.418 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000103420746 555400998 /nfs/dbraw/zinc/40/09/98/555400998.db2.gz WAZFLLWKLPWGOR-UUWRZZSWSA-N 1 1 617.790 6.972 50 0 KKAAMO Nc1c2c(nn1-c1ccc(Cl)cc1)nc(N1CC[NH+](Cc3ccc(F)cc3)CC1)nc2-c1ccc(F)cc1 ZINC000103426502 555407768 /nfs/dbraw/zinc/40/77/68/555407768.db2.gz HAWFEJKNAPGOPX-UHFFFAOYSA-N 1 1 531.998 5.319 50 0 KKAAMO Cc1ccccc1NC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000103427468 555408684 /nfs/dbraw/zinc/40/86/84/555408684.db2.gz OKTMNICBRMBDQX-UHFFFAOYSA-N 1 1 569.631 7.345 50 0 KKAAMO C[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)CC1 ZINC000103432603 555415182 /nfs/dbraw/zinc/41/51/82/555415182.db2.gz KZPQQQPFEMEIKL-UHFFFAOYSA-N 1 1 538.599 5.028 50 0 KKAAMO Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000103439520 555419464 /nfs/dbraw/zinc/41/94/64/555419464.db2.gz QQPSAIDUDRMPPS-UHFFFAOYSA-N 1 1 616.948 7.703 50 0 KKAAMO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@H+]4CCCC[C@@H]34)C(=O)c3ccc(Cl)cc3)CCCC2)cc(OC)c1 ZINC000103578589 555451179 /nfs/dbraw/zinc/45/11/79/555451179.db2.gz ICIIJZSWXYZDKU-LXFBAYGMSA-N 1 1 554.131 6.015 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O ZINC000169301201 562852879 /nfs/dbraw/zinc/85/28/79/562852879.db2.gz SKRXFKGFKFOOKW-NWWWKGIRSA-N 1 1 547.696 5.537 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000169355777 562863782 /nfs/dbraw/zinc/86/37/82/562863782.db2.gz DAHYKHKOXKQRNL-SHUBACIRSA-N 1 1 536.097 5.271 50 0 KKAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000248342633 562881660 /nfs/dbraw/zinc/88/16/60/562881660.db2.gz YOTKJXYNGWBHAW-FSUFCWANSA-N 1 1 527.624 5.471 50 0 KKAAMO CCCOc1cccc(C(O)=C2[C@@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101671347 571361357 /nfs/dbraw/zinc/36/13/57/571361357.db2.gz XOIGRVFCEOUDOM-UMKORLBGSA-N 1 1 584.672 6.466 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3cc(OC)ccc3OC)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103287956 571361579 /nfs/dbraw/zinc/36/15/79/571361579.db2.gz KITQYGYVCYNJBY-HDHDNLQWSA-N 1 1 614.698 6.474 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000105042008 571390221 /nfs/dbraw/zinc/39/02/21/571390221.db2.gz SDKSCOATSSTLML-CUBQBAPOSA-N 1 1 512.591 6.919 50 0 KKAAMO Cc1cc(C[N@@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042604 571390387 /nfs/dbraw/zinc/39/03/87/571390387.db2.gz RUPCVIAPEOZQPW-YIXXDRMTSA-N 1 1 516.579 6.821 50 0 KKAAMO COc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000105042246 571390412 /nfs/dbraw/zinc/39/04/12/571390412.db2.gz FPEDYRLYOQPEPJ-OZXSUGGESA-N 1 1 544.589 6.325 50 0 KKAAMO Cc1cc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042553 571390417 /nfs/dbraw/zinc/39/04/17/571390417.db2.gz HTDMDWOPRKQETE-RBJSKKJNSA-N 1 1 530.606 7.068 50 0 KKAAMO COC(=O)[C@@H](Cc1ccc(NC(=O)C[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000108803772 571426551 /nfs/dbraw/zinc/42/65/51/571426551.db2.gz ZDDUFARUINSJSG-WJOKGBTCSA-N 1 1 593.724 5.816 50 0 KKAAMO CCOC(=O)c1c(C)n(C[C@@H](O)C[N@@H+]2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)c2cc(Br)c(OC)cc21 ZINC000135668906 571448726 /nfs/dbraw/zinc/44/87/26/571448726.db2.gz UQIRMWXTOWCMDV-FNZWTVRRSA-N 1 1 594.550 5.915 50 0 KKAAMO CCOC(=O)c1c(C)n(C[C@@H](O)C[N@H+]2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)c2cc(Br)c(OC)cc21 ZINC000135668906 571448728 /nfs/dbraw/zinc/44/87/28/571448728.db2.gz UQIRMWXTOWCMDV-FNZWTVRRSA-N 1 1 594.550 5.915 50 0 KKAAMO O=C(Nc1cccc(-c2ccnc(N3CC[NH+](Cc4ccc5c(c4)OCO5)CC3)n2)c1)c1cccc(C(F)(F)F)c1 ZINC000137060050 571450047 /nfs/dbraw/zinc/45/00/47/571450047.db2.gz WFTXWUNIKVIAMB-UHFFFAOYSA-N 1 1 561.564 5.466 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000147346885 571456783 /nfs/dbraw/zinc/45/67/83/571456783.db2.gz KZKYUIVPCVBNOY-NOCHOARKSA-N 1 1 579.716 6.344 50 0 KKAAMO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000150396132 571476315 /nfs/dbraw/zinc/47/63/15/571476315.db2.gz GRHGIWBEULFGSU-NDEPHWFRSA-N 1 1 640.637 5.541 50 0 KKAAMO COc1ccc([C@H](C2C(=O)NC(=S)[C@H](c3ccccc3OC)C2=O)C2C(=O)NC(=S)[C@@H](c3ccccc3OC)C2=O)cc1C[NH+]1CCCCC1 ZINC000150453499 571503563 /nfs/dbraw/zinc/50/35/63/571503563.db2.gz OENHLHXEBRHHIS-BQRNWKATSA-N 1 1 713.878 6.711 50 0 KKAAMO CC(C)CN(CC(=O)Nc1nc(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1)C(=O)c1ccccc1Cl ZINC000150514534 571519988 /nfs/dbraw/zinc/51/99/88/571519988.db2.gz UAAMNGWLWSYUSU-UHFFFAOYSA-N 1 1 644.241 6.010 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000169677614 571555175 /nfs/dbraw/zinc/55/51/75/571555175.db2.gz FNEGCMADRYJMFX-RSXGOPAZSA-N 1 1 507.675 5.384 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000169677614 571555176 /nfs/dbraw/zinc/55/51/76/571555176.db2.gz FNEGCMADRYJMFX-RSXGOPAZSA-N 1 1 507.675 5.384 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)cc1 ZINC000169677814 571555324 /nfs/dbraw/zinc/55/53/24/571555324.db2.gz SPPIQBDUWZMYLC-DCFHFQCYSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)cc1 ZINC000169677814 571555326 /nfs/dbraw/zinc/55/53/26/571555326.db2.gz SPPIQBDUWZMYLC-DCFHFQCYSA-N 1 1 541.639 5.396 50 0 KKAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000169678447 571555727 /nfs/dbraw/zinc/55/57/27/571555727.db2.gz UNHRXELDSPPWLW-IRLDBZIGSA-N 1 1 523.844 5.813 50 0 KKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000169679061 571556054 /nfs/dbraw/zinc/55/60/54/571556054.db2.gz DNBQODSTDCIEPN-IRPSRAIASA-N 1 1 542.617 6.867 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680834 571556903 /nfs/dbraw/zinc/55/69/03/571556903.db2.gz QFHVEBHURJSVJE-RBTNQOKQSA-N 1 1 520.674 5.298 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680853 571556939 /nfs/dbraw/zinc/55/69/39/571556939.db2.gz QHXVJVWXUASHAI-GTYOFVGBSA-N 1 1 559.757 5.079 50 0 KKAAMO 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546.775 5.379 50 0 KKAAMO COc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000229982526 572176647 /nfs/dbraw/zinc/17/66/47/572176647.db2.gz MGPXSVORHFOKOI-IVLKBZHLSA-N 1 1 562.647 5.747 50 0 KKAAMO CCCc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)cc3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000230000619 572177656 /nfs/dbraw/zinc/17/76/56/572177656.db2.gz JOSUZPZEYPNQHK-RPWYQEBTSA-N 1 1 568.673 6.629 50 0 KKAAMO CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000230000619 572177662 /nfs/dbraw/zinc/17/76/62/572177662.db2.gz JOSUZPZEYPNQHK-RPWYQEBTSA-N 1 1 568.673 6.629 50 0 KKAAMO CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000230000619 572177665 /nfs/dbraw/zinc/17/76/65/572177665.db2.gz JOSUZPZEYPNQHK-RPWYQEBTSA-N 1 1 568.673 6.629 50 0 KKAAMO COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000230003893 572177688 /nfs/dbraw/zinc/17/76/88/572177688.db2.gz DEEGGLHMMXTTDS-WWYHPTGPSA-N 1 1 584.672 6.464 50 0 KKAAMO CC[C@H](C)[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077506 572182924 /nfs/dbraw/zinc/18/29/24/572182924.db2.gz ZMIQZIMIKPRVMV-ZRKWFTTGSA-N 1 1 533.738 6.371 50 0 KKAAMO O=C(C1CCCCC1)N(c1ccc(C(F)(F)F)cn1)C1CCN(C2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000245180689 572201344 /nfs/dbraw/zinc/20/13/44/572201344.db2.gz ZGVKECDXEHYLJZ-UHFFFAOYSA-N 1 1 534.692 6.204 50 0 KKAAMO CN(C)[C@H](C[N@@H+](C[C@@H](O)CO[C@H]1CCCc2ccccc21)C[C@H](O)CO[C@@H]1CCCc2ccccc21)c1ccco1 ZINC000245225344 572202481 /nfs/dbraw/zinc/20/24/81/572202481.db2.gz SPNBKVUSSNSXEI-OPZYGVPFSA-N 1 1 562.751 5.095 50 0 KKAAMO CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000245245207 572217328 /nfs/dbraw/zinc/21/73/28/572217328.db2.gz BYKGXLRGQFNAQI-JXFTZBDYSA-N 1 1 558.703 6.928 50 0 KKAAMO CCc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245326104 572232581 /nfs/dbraw/zinc/23/25/81/572232581.db2.gz DCQJUZJAQYDLIF-ONOMSOESSA-N 1 1 534.701 5.552 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000245328304 572234784 /nfs/dbraw/zinc/23/47/84/572234784.db2.gz MUWRZPPTJKTLKH-SMSORMJASA-N 1 1 547.740 5.895 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000245328432 572234857 /nfs/dbraw/zinc/23/48/57/572234857.db2.gz OLTYFLBAIKJLOR-UZTOHYMASA-N 1 1 526.077 5.251 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000245343026 572237332 /nfs/dbraw/zinc/23/73/32/572237332.db2.gz CIHIKSQWZCLWSS-JIPXPUAJSA-N 1 1 566.565 5.530 50 0 KKAAMO O=C(NCc1ccccc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247495247 572242477 /nfs/dbraw/zinc/24/24/77/572242477.db2.gz OBKASCRHKLSDBL-UHFFFAOYSA-N 1 1 503.444 5.316 50 0 KKAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247481993 572242544 /nfs/dbraw/zinc/24/25/44/572242544.db2.gz JJTFHGQBRPEFSK-QFIPXVFZSA-N 1 1 517.471 5.359 50 0 KKAAMO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247516206 572242822 /nfs/dbraw/zinc/24/28/22/572242822.db2.gz VQYWKBCMGVOJRM-UHFFFAOYSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247722637 572243865 /nfs/dbraw/zinc/24/38/65/572243865.db2.gz BPIYIYGVFWSNSR-QGZVFWFLSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247755579 572244676 /nfs/dbraw/zinc/24/46/76/572244676.db2.gz XCSQILAUQNXDRY-UHFFFAOYSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000247806988 572245304 /nfs/dbraw/zinc/24/53/04/572245304.db2.gz BVLJUNOTMXNFTI-UHFFFAOYSA-N 1 1 516.705 6.871 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247808941 572245402 /nfs/dbraw/zinc/24/54/02/572245402.db2.gz CZOURQORSDCUGS-UHFFFAOYSA-N 1 1 576.514 5.488 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247842195 572245975 /nfs/dbraw/zinc/24/59/75/572245975.db2.gz FVSLFOILDLDCPS-QFIPXVFZSA-N 1 1 592.969 6.002 50 0 KKAAMO Cc1cccc(C)c1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000247850204 572246403 /nfs/dbraw/zinc/24/64/03/572246403.db2.gz ABZCWPASBYQCJF-UHFFFAOYSA-N 1 1 586.578 5.966 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247851203 572246422 /nfs/dbraw/zinc/24/64/22/572246422.db2.gz IUMSIEOZJKZUJC-QFIPXVFZSA-N 1 1 626.521 6.368 50 0 KKAAMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)c(C)c1 ZINC000247855578 572246634 /nfs/dbraw/zinc/24/66/34/572246634.db2.gz CPODSYHUYUPWNN-UHFFFAOYSA-N 1 1 517.471 6.256 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N(C4CCCCC4)C4CCCCC4)CC3)nc3ccccc32)cc1 ZINC000247867294 572246768 /nfs/dbraw/zinc/24/67/68/572246768.db2.gz BHIIVBRZIVZOGU-UHFFFAOYSA-N 1 1 542.768 6.799 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247866861 572246793 /nfs/dbraw/zinc/24/67/93/572246793.db2.gz OYLRIMMTMJXKSV-QFIPXVFZSA-N 1 1 626.521 6.368 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c(C)c1 ZINC000247872084 572247100 /nfs/dbraw/zinc/24/71/00/572247100.db2.gz LNJGRHUKNVXOOG-RUZDIDTESA-N 1 1 586.578 5.966 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5cccc(C)c5C)CC4)CC3)nc3ccccc32)cc1 ZINC000247869260 572247208 /nfs/dbraw/zinc/24/72/08/572247208.db2.gz CHFNWLRJGZZPHF-UHFFFAOYSA-N 1 1 551.735 5.271 50 0 KKAAMO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000247874373 572247459 /nfs/dbraw/zinc/24/74/59/572247459.db2.gz NFDGUTCFLDCZOB-UHFFFAOYSA-N 1 1 655.424 6.291 50 0 KKAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c1 ZINC000247874931 572247535 /nfs/dbraw/zinc/24/75/35/572247535.db2.gz NRGHWCRBXVLCKT-BKKFENPESA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c1 ZINC000247874931 572247537 /nfs/dbraw/zinc/24/75/37/572247537.db2.gz NRGHWCRBXVLCKT-BKKFENPESA-N 1 1 531.534 5.476 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5C(F)(F)F)CC4)C3)nc3ccccc32)cc1 ZINC000247881097 572247855 /nfs/dbraw/zinc/24/78/55/572247855.db2.gz JBZHCTYZANZDCZ-RUZDIDTESA-N 1 1 591.678 5.673 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccccc4Cl)CC3)nc3ccccc32)cc1 ZINC000247879817 572248087 /nfs/dbraw/zinc/24/80/87/572248087.db2.gz IHFZIUBLTBYKJW-UHFFFAOYSA-N 1 1 503.046 5.275 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)nc3ccccc32)cc1 ZINC000247888003 572248257 /nfs/dbraw/zinc/24/82/57/572248257.db2.gz LLXVNSUGBRETTO-UHFFFAOYSA-N 1 1 523.464 6.251 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(C(=O)c5ccc(Cl)c(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247889222 572248288 /nfs/dbraw/zinc/24/82/88/572248288.db2.gz MHYAEJCHFRPABK-VWLOTQADSA-N 1 1 620.581 5.597 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N(C4CCCCC4)C4CCCCC4)C3)nc3ccccc32)cc1 ZINC000247883904 572248356 /nfs/dbraw/zinc/24/83/56/572248356.db2.gz KHCGDBXHAOQXTM-HHHXNRCGSA-N 1 1 542.768 6.799 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247889803 572248461 /nfs/dbraw/zinc/24/84/61/572248461.db2.gz YCOBLRXDHATCFS-XMMPIXPASA-N 1 1 577.611 7.494 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247893603 572248637 /nfs/dbraw/zinc/24/86/37/572248637.db2.gz ZCMYVMHDUVYSCO-YTTGMZPUSA-N 1 1 618.225 6.884 50 0 KKAAMO Cc1cccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)c1 ZINC000247898109 572248664 /nfs/dbraw/zinc/24/86/64/572248664.db2.gz HYEJHDYTEGODMM-UHFFFAOYSA-N 1 1 517.471 5.625 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)NCc4ccccc4Cl)C3)nc3ccccc32)cc1 ZINC000247894835 572248805 /nfs/dbraw/zinc/24/88/05/572248805.db2.gz OHAIOGMPTPMDOG-HSZRJFAPSA-N 1 1 503.046 5.275 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4cccc5ccccc54)CC3)nc3ccccc32)cc1 ZINC000247908487 572248932 /nfs/dbraw/zinc/24/89/32/572248932.db2.gz TWFHEQNNODOADS-UHFFFAOYSA-N 1 1 504.634 6.097 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5cc(Cl)ccc5Cl)CC4)CC3)nc3ccccc32)cc1 ZINC000247905789 572248941 /nfs/dbraw/zinc/24/89/41/572248941.db2.gz SDUKLIMKNRVSGE-UHFFFAOYSA-N 1 1 592.571 5.961 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5c(C)cccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247915264 572249206 /nfs/dbraw/zinc/24/92/06/572249206.db2.gz VYPKDGLTJNNFAF-MUUNZHRXSA-N 1 1 551.735 5.271 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccccc4C(F)(F)F)C3)nc3ccccc32)cc1 ZINC000247912058 572249249 /nfs/dbraw/zinc/24/92/49/572249249.db2.gz UZQGPKGCOOPOMH-OAQYLSRUSA-N 1 1 522.571 5.963 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4ccccc4C(F)(F)F)C3)nc3ccccc32)cc1 ZINC000247912058 572249253 /nfs/dbraw/zinc/24/92/53/572249253.db2.gz UZQGPKGCOOPOMH-OAQYLSRUSA-N 1 1 522.571 5.963 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4cccc(Cl)c4Cl)C3)nc3ccccc32)cc1 ZINC000247916771 572249529 /nfs/dbraw/zinc/24/95/29/572249529.db2.gz WMYHTGZBEXCOKR-FQEVSTJZSA-N 1 1 523.464 6.251 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4cccc(Cl)c4Cl)C3)nc3ccccc32)cc1 ZINC000247916771 572249530 /nfs/dbraw/zinc/24/95/30/572249530.db2.gz WMYHTGZBEXCOKR-FQEVSTJZSA-N 1 1 523.464 6.251 50 0 KKAAMO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247949125 572250349 /nfs/dbraw/zinc/25/03/49/572250349.db2.gz RXMINRKATVJMAS-OAQYLSRUSA-N 1 1 655.424 6.291 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247941937 572250361 /nfs/dbraw/zinc/25/03/61/572250361.db2.gz NNXCOQQFPCDIQP-CUBQBAPOSA-N 1 1 514.563 6.117 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000247970120 572251213 /nfs/dbraw/zinc/25/12/13/572251213.db2.gz CVDAHIXCSIKBCL-OAQYLSRUSA-N 1 1 513.608 5.197 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000247969120 572251236 /nfs/dbraw/zinc/25/12/36/572251236.db2.gz CQBQLSARSSICHV-HXUWFJFHSA-N 1 1 542.511 5.121 50 0 KKAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000247996703 572251630 /nfs/dbraw/zinc/25/16/30/572251630.db2.gz DCDZBOZBYSWDEO-YTMVLYRLSA-N 1 1 518.583 5.670 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000248007127 572251948 /nfs/dbraw/zinc/25/19/48/572251948.db2.gz PUCQXIMKHXFUNT-NRFANRHFSA-N 1 1 513.608 5.197 50 0 KKAAMO CCCCN(C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)C(C)C ZINC000248014118 572252345 /nfs/dbraw/zinc/25/23/45/572252345.db2.gz SEEMXGBPRPORIF-OAQYLSRUSA-N 1 1 511.508 6.037 50 0 KKAAMO CC(C)N(C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248031590 572252831 /nfs/dbraw/zinc/25/28/31/572252831.db2.gz XSLRPMKHGXJIJI-IGKIAQTJSA-N 1 1 504.612 6.991 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000248060337 572253000 /nfs/dbraw/zinc/25/30/00/572253000.db2.gz DGBGBNJZXBYKTR-JIPXPUAJSA-N 1 1 555.666 5.786 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000248085872 572253230 /nfs/dbraw/zinc/25/32/30/572253230.db2.gz FJKJDMZJSROZEX-XMMPIXPASA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)cc1 ZINC000248113224 572253820 /nfs/dbraw/zinc/25/38/20/572253820.db2.gz RLILXOCBOSRGEI-UHFFFAOYSA-N 1 1 517.471 5.625 50 0 KKAAMO Cc1ccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)cc1 ZINC000248122205 572254240 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CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000252013965 572259820 /nfs/dbraw/zinc/25/98/20/572259820.db2.gz UQNVPDTYVMDFBI-VWLOTQADSA-N 1 1 525.672 5.288 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)cc1 ZINC000252022106 572259919 /nfs/dbraw/zinc/25/99/19/572259919.db2.gz YZHXKBGZRPEFAL-UHFFFAOYSA-N 1 1 525.672 5.288 50 0 KKAAMO C[N@@H+](CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252584829 572264213 /nfs/dbraw/zinc/26/42/13/572264213.db2.gz DBVANVNXSDDHHB-KGYSHXOESA-N 1 1 634.777 5.149 50 0 KKAAMO CCOC(=O)c1c(C)n(C[C@@H](O)C[N@@H+]2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)c2cc(Br)c(OC)cc21 ZINC000252629921 572271321 /nfs/dbraw/zinc/27/13/21/572271321.db2.gz UQIRMWXTOWCMDV-RXFWQSSRSA-N 1 1 594.550 5.915 50 0 KKAAMO CCOC(=O)c1c(C)n(C[C@@H](O)C[N@H+]2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)c2cc(Br)c(OC)cc21 ZINC000252629921 572271326 /nfs/dbraw/zinc/27/13/26/572271326.db2.gz UQIRMWXTOWCMDV-RXFWQSSRSA-N 1 1 594.550 5.915 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc4c(c3)OCO4)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000253373029 572282148 /nfs/dbraw/zinc/28/21/48/572282148.db2.gz HMSACZQRUSJPKE-BRQNREJHSA-N 1 1 598.655 6.186 50 0 KKAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000253406826 572286377 /nfs/dbraw/zinc/28/63/77/572286377.db2.gz JIBXSOSQHABCLS-JBXWGSRRSA-N 1 1 528.697 5.085 50 0 KKAAMO Cc1ccc(C)c(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000253479654 572289981 /nfs/dbraw/zinc/28/99/81/572289981.db2.gz RQUMINIXJUZQHT-NRFANRHFSA-N 1 1 517.471 6.256 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)cc1 ZINC000253607280 572300913 /nfs/dbraw/zinc/30/09/13/572300913.db2.gz INESTVGPLRGCAD-UHFFFAOYSA-N 1 1 539.699 5.678 50 0 KKAAMO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000253607227 572300932 /nfs/dbraw/zinc/30/09/32/572300932.db2.gz CWSYEKSJTUMZKS-UHFFFAOYSA-N 1 1 501.074 6.712 50 0 KKAAMO CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253607264 572300956 /nfs/dbraw/zinc/30/09/56/572300956.db2.gz HVOXUTDNQMPWRR-RUZDIDTESA-N 1 1 600.605 6.472 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4Cc4ccc(OC)cc4)CC3)CC2)cc1 ZINC000253607465 572301036 /nfs/dbraw/zinc/30/10/36/572301036.db2.gz UUXGLAMMWIRFSN-UHFFFAOYSA-N 1 1 565.762 5.607 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000253616645 572301439 /nfs/dbraw/zinc/30/14/39/572301439.db2.gz DLFIVCOZTHYUNL-UHFFFAOYSA-N 1 1 576.514 5.488 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000253616775 572301453 /nfs/dbraw/zinc/30/14/53/572301453.db2.gz DLUUMPUNLQOEHY-XMMPIXPASA-N 1 1 562.545 5.952 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000253616778 572301457 /nfs/dbraw/zinc/30/14/57/572301457.db2.gz DOJBBNACGFYIFK-DEOSSOPVSA-N 1 1 516.705 6.871 50 0 KKAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@H]1c1ccc(Cl)cc1 ZINC000254836822 572303702 /nfs/dbraw/zinc/30/37/02/572303702.db2.gz OURKDNVLOVJUDH-GDRPQGEVSA-N 1 1 573.568 6.934 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1cc(-c2ccncc2)nc2ccc(C(C)C)cc21 ZINC000409413072 1069808762 /nfs/dbraw/zinc/80/87/62/1069808762.db2.gz BJJJOQNZERUNMC-SETSBSEESA-N 1 1 500.687 5.773 50 0 KKAAMO CCCCc1cc(=O)oc2c3c(cc(OCC(=O)N(CCOC)C[C@@H]4CCC[N@H+]5CCCC[C@H]45)c12)OC(C)(C)CC3 ZINC000409414064 1069810010 /nfs/dbraw/zinc/81/00/10/1069810010.db2.gz NBWSKSMBYBTGFS-AZGAKELHSA-N 1 1 568.755 5.358 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000247744045 1069816846 /nfs/dbraw/zinc/81/68/46/1069816846.db2.gz PNUXIBNCEKCHLP-OFAGRQRFSA-N 1 1 624.922 6.840 50 0 KKAAMO O=C(Cc1csc(-c2ccccc2)n1)N1CCC(Oc2cccc(C[NH+]3CCN(c4ccccn4)CC3)c2)CC1 ZINC000101954198 1069825402 /nfs/dbraw/zinc/82/54/02/1069825402.db2.gz VBIVBXYGAAWKFD-UHFFFAOYSA-N 1 1 553.732 5.140 50 0 KKAAMO COc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)c(OC)c1 ZINC000102033077 1069840638 /nfs/dbraw/zinc/84/06/38/1069840638.db2.gz ZBTHVDIHGHVTCF-NDEPHWFRSA-N 1 1 553.703 6.348 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2ccc3c(c2)OCO3)c1)Cc1cccc2cccnc21 ZINC000102698836 1069862791 /nfs/dbraw/zinc/86/27/91/1069862791.db2.gz GQRNUYPINCYTPY-MUUNZHRXSA-N 1 1 537.660 6.059 50 0 KKAAMO COc1cc2[nH+]c(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)[C@@H]3CCOC(C)(C)C3)cc2c(OC)c1OC ZINC000102712122 1069866242 /nfs/dbraw/zinc/86/62/42/1069866242.db2.gz MZBMJHQBRUTJHE-OAQYLSRUSA-N 1 1 553.675 5.242 50 0 KKAAMO COc1ccc2c(c1)c(CN1CCC[N@@H+](Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC1)cn2C(C)C ZINC000257185367 1070975107 /nfs/dbraw/zinc/97/51/07/1070975107.db2.gz JLRDAZWGFOEQRU-JGCGQSQUSA-N 1 1 539.724 5.581 50 0 KKAAMO CN(CC[N@@H+](C)Cc1cn([C@@H]2CCCCO2)nc1-c1ccc(O[C@H]2C[C@H](OCc3ccccc3)C2)cc1)C(=O)OC(C)(C)C ZINC000575442439 1071141388 /nfs/dbraw/zinc/14/13/88/1071141388.db2.gz OSBKEDOAZUPHOL-CPCREDONSA-N 1 1 604.792 6.675 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)c1)Cc1cccc2cccnc21 ZINC000012053112 1071236015 /nfs/dbraw/zinc/23/60/15/1071236015.db2.gz IYINNTBICUZMEA-PMERELPUSA-N 1 1 525.668 6.399 50 0 KKAAMO COc1cccc(NC(=O)COc2ccc(-c3ncccn3)cc2C[N@@H+]2CC=C(c3ccccc3)CC2)c1 ZINC000012053915 1071235879 /nfs/dbraw/zinc/23/58/79/1071235879.db2.gz QUTDNVCNAJOTNH-UHFFFAOYSA-N 1 1 506.606 5.459 50 0 KKAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000604405219 1071271825 /nfs/dbraw/zinc/27/18/25/1071271825.db2.gz NKDUFUJIBDLUOM-WJSKADRVSA-N 1 1 692.898 5.185 50 0 KKAAMO Cc1cc(C)c(S(=O)(=O)N2CCC([N@H+]3CCN(c4ncc(C(F)(F)F)cc4Cl)[C@H](C)C3)CC2)c(C)c1 ZINC000618256208 1071277845 /nfs/dbraw/zinc/27/78/45/1071277845.db2.gz FYWLUARGTVXOKT-LJQANCHMSA-N 1 1 545.071 5.043 50 0 KKAAMO Cc1cc(C)c(S(=O)(=O)N2CCC([N@@H+]3CCN(c4ncc(C(F)(F)F)cc4Cl)[C@H](C)C3)CC2)c(C)c1 ZINC000618256208 1071277848 /nfs/dbraw/zinc/27/78/48/1071277848.db2.gz FYWLUARGTVXOKT-LJQANCHMSA-N 1 1 545.071 5.043 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@H]2c2ccc(OC(F)F)cc2)/C(=C/c2ccc(OC(F)F)cc2)C1 ZINC000150517378 1071327697 /nfs/dbraw/zinc/32/76/97/1071327697.db2.gz QMKYFYXUFCSLJR-BSKIJULFSA-N 1 1 658.515 8.393 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2ccc3c(c2)OCO3)c(=O)n1-c1cccc(C(F)(F)F)c1 ZINC000254902532 1072888855 /nfs/dbraw/zinc/88/88/55/1072888855.db2.gz AXKMFBJUZKBHPU-UHFFFAOYSA-N 1 1 694.735 5.083 50 0 KKAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2ccc(C)nc2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014750529 1072892295 /nfs/dbraw/zinc/89/22/95/1072892295.db2.gz SSHBREQZZQPWJH-ABYGYWHVSA-N 1 1 509.650 5.385 50 0 KKAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000014981465 1072894368 /nfs/dbraw/zinc/89/43/68/1072894368.db2.gz HVDIMWOQYSFOLH-SANMLTNESA-N 1 1 521.633 5.213 50 0 KKAAMO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)CSc2ccccn2)C3)s1 ZINC000014999637 1072895558 /nfs/dbraw/zinc/89/55/58/1072895558.db2.gz UXYYYGDASQJEJE-NRFANRHFSA-N 1 1 523.724 5.352 50 0 KKAAMO O=C(Cc1ccc(F)cc1)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000055224871 1072899938 /nfs/dbraw/zinc/89/99/38/1072899938.db2.gz HEJDHDNIUCVIRY-AREMUKBSSA-N 1 1 519.636 5.147 50 0 KKAAMO CC(C)(C)c1cc(CN2CC[NH+](Cc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)CC2)cc(C(C)(C)C)c1O ZINC000019369022 193882650 /nfs/dbraw/zinc/88/26/50/193882650.db2.gz BBGJFAYGMNGEIW-UHFFFAOYSA-N 1 1 522.818 7.606 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000000633800 551505600 /nfs/dbraw/zinc/50/56/00/551505600.db2.gz UBDFFVMQEBPOEG-CLJLJLNGSA-N 1 1 502.958 5.170 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(C)cc2)cc1Br ZINC000000635962 551506380 /nfs/dbraw/zinc/50/63/80/551506380.db2.gz MWJMTXQSZQDKQV-RPBOFIJWSA-N 1 1 501.384 5.570 50 0 KKAAMO O=C(c1cnn2c1N[C@@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001213048 551625669 /nfs/dbraw/zinc/62/56/69/551625669.db2.gz LNOTWWQOXHXPJH-NAKRPHOHSA-N 1 1 589.618 5.820 50 0 KKAAMO COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000001835118 551712093 /nfs/dbraw/zinc/71/20/93/551712093.db2.gz IDWSGRSEGZDONM-UHFFFAOYSA-N 1 1 582.751 6.053 50 0 KKAAMO COc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000001835118 551712096 /nfs/dbraw/zinc/71/20/96/551712096.db2.gz IDWSGRSEGZDONM-UHFFFAOYSA-N 1 1 582.751 6.053 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1 ZINC000001872394 551720129 /nfs/dbraw/zinc/72/01/29/551720129.db2.gz TTYUTXFHYKSJDK-YTTGMZPUSA-N 1 1 569.688 7.961 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002061187 551742701 /nfs/dbraw/zinc/74/27/01/551742701.db2.gz OKPSOGXYILIUFU-ZEQRLZLVSA-N 1 1 511.796 6.460 50 0 KKAAMO COc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)c(-c2ccccc2)n3Cc2ccccc2)cc1OC ZINC000002261722 552084810 /nfs/dbraw/zinc/08/48/10/552084810.db2.gz SPBZMGHSYKPKQR-UHFFFAOYSA-N 1 1 540.667 7.485 50 0 KKAAMO Clc1ccc(-c2csc3ncnc(N4CC[NH+]([C@H](c5ccccc5)c5ccc(Cl)cc5)CC4)c23)cc1 ZINC000002319969 552093875 /nfs/dbraw/zinc/09/38/75/552093875.db2.gz BYGYFKJZFRCTBK-HHHXNRCGSA-N 1 1 531.512 7.577 50 0 KKAAMO CCOc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)c(-c2ccccc2)n3Cc2ccco2)cc1OCC ZINC000002591381 552132716 /nfs/dbraw/zinc/13/27/16/552132716.db2.gz ZKRGCMLAIYUWAP-UHFFFAOYSA-N 1 1 558.682 7.859 50 0 KKAAMO COc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2ccc(Cl)cc2)C[N@@H+](Cc2ccccc2)CC4)cc1 ZINC000002604180 552135260 /nfs/dbraw/zinc/13/52/60/552135260.db2.gz YAAREAGBUWOFLB-UHFFFAOYSA-N 1 1 560.144 6.960 50 0 KKAAMO COc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2ccc(Cl)cc2)C[N@H+](Cc2ccccc2)CC4)cc1 ZINC000002604180 552135261 /nfs/dbraw/zinc/13/52/61/552135261.db2.gz YAAREAGBUWOFLB-UHFFFAOYSA-N 1 1 560.144 6.960 50 0 KKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(Cl)c3)CC2)cc1Cl ZINC000002714253 552161156 /nfs/dbraw/zinc/16/11/56/552161156.db2.gz KBGIWQHEFSFAIR-UHFFFAOYSA-N 1 1 514.460 7.029 50 0 KKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3Cl)CC2)cc1Cl ZINC000002714256 552161172 /nfs/dbraw/zinc/16/11/72/552161172.db2.gz CYOCGIMGEQGMRP-UHFFFAOYSA-N 1 1 514.460 7.029 50 0 KKAAMO COc1ccc2c(c1)O[C@@H](c1ccc(Br)cc1)C1=C2[NH+]=C2N=CNN2[C@H]1c1ccc(F)cc1 ZINC000002917909 552218371 /nfs/dbraw/zinc/21/83/71/552218371.db2.gz SWZHQUJCGWGLEA-ZEQRLZLVSA-N 1 1 505.347 5.401 50 0 KKAAMO COc1ccc2c(c1)O[C@@H](c1ccc(Br)cc1)C1=C2[NH+]=C2N=CNN2[C@@H]1c1ccc(F)cc1 ZINC000002917912 552218384 /nfs/dbraw/zinc/21/83/84/552218384.db2.gz SWZHQUJCGWGLEA-RPWUZVMVSA-N 1 1 505.347 5.401 50 0 KKAAMO O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000003023179 552264792 /nfs/dbraw/zinc/26/47/92/552264792.db2.gz DKZUCEDJILTSHG-UHFFFAOYSA-N 1 1 537.657 5.509 50 0 KKAAMO Cc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)C2=O)cc1 ZINC000003046620 552276157 /nfs/dbraw/zinc/27/61/57/552276157.db2.gz LSLSCRVVMWRRSQ-BRPDVVIDSA-N 1 1 513.707 5.892 50 0 KKAAMO O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000003062564 552283448 /nfs/dbraw/zinc/28/34/48/552283448.db2.gz IVYINWIHVMTLFA-QXPFVDMISA-N 1 1 563.698 6.464 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCC[N@@H+]3CCCC[C@H]3C)cc2)C1=O ZINC000003063628 552284102 /nfs/dbraw/zinc/28/41/02/552284102.db2.gz OWZGFRRQHKPMIA-UCTFJTRWSA-N 1 1 525.718 6.279 50 0 KKAAMO CCCC[N@@H+](C)C[C@@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000003138235 552294025 /nfs/dbraw/zinc/29/40/25/552294025.db2.gz JNEBZKYMWSXVAC-OAHLLOKOSA-N 1 1 547.129 6.175 50 0 KKAAMO C[N@H+]1CCCC[C@@H]1CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Br)cc1 ZINC000003457001 552389651 /nfs/dbraw/zinc/38/96/51/552389651.db2.gz BMLRPHHVFZAKJX-JOCHJYFZSA-N 1 1 513.549 6.961 50 0 KKAAMO COc1cc2c(cc1OC)C[N@@H+](CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2 ZINC000004214704 552449775 /nfs/dbraw/zinc/44/97/75/552449775.db2.gz LGGHDPFKSSRQNS-UHFFFAOYSA-N 1 1 646.744 6.375 50 0 investigational KKAAMO O=C(c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000004441428 552461288 /nfs/dbraw/zinc/46/12/88/552461288.db2.gz PGUPRMQSYMLRLL-KDXMTYKHSA-N 1 1 562.135 5.758 50 0 KKAAMO CC[NH+](CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1ccccc1Br ZINC000005987686 552517839 /nfs/dbraw/zinc/51/78/39/552517839.db2.gz YPQKBTWNYWWNEA-UHFFFAOYSA-N 1 1 542.455 5.071 50 0 KKAAMO C[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006102570 552534520 /nfs/dbraw/zinc/53/45/20/552534520.db2.gz FMTODOGGTULXOJ-QHCPKHFHSA-N 1 1 528.518 6.297 50 0 KKAAMO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc1OC ZINC000006166882 552557525 /nfs/dbraw/zinc/55/75/25/552557525.db2.gz GUYQQEYRYPDFDO-UHFFFAOYSA-N 1 1 625.640 7.833 50 0 KKAAMO CCOC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@]12c1[nH]c3ccccc3c1CCN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000008439697 553035920 /nfs/dbraw/zinc/03/59/20/553035920.db2.gz WFVVMUOCJWVLFU-AJCPBJRWSA-N 1 1 597.759 6.665 50 0 KKAAMO O=C1C2[C@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)[NH2+][C@@H]2c1ccc(Cl)cc1 ZINC000008444464 553050316 /nfs/dbraw/zinc/05/03/16/553050316.db2.gz UMRURHBFKPCEAV-SHIBZZATSA-N 1 1 582.358 8.573 50 0 KKAAMO Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3N2)cc1 ZINC000008444706 553051160 /nfs/dbraw/zinc/05/11/60/553051160.db2.gz PEAHKDXESGNARZ-IZLXSDGUSA-N 1 1 559.636 6.399 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O ZINC000008597415 553092816 /nfs/dbraw/zinc/09/28/16/553092816.db2.gz DIIAZPUVHOTXPI-AREMUKBSSA-N 1 1 559.732 5.373 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000008597601 553093560 /nfs/dbraw/zinc/09/35/60/553093560.db2.gz RDJMEUYFOHYYET-VWLOTQADSA-N 1 1 580.150 5.718 50 0 KKAAMO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@@H+](Cc3ccccc3)[C@@H]3CCCC[C@@H]3O)cc21 ZINC000008715872 553128862 /nfs/dbraw/zinc/12/88/62/553128862.db2.gz FYFSRXZMCFPCDK-LFVIRUEMSA-N 1 1 570.730 5.969 50 0 KKAAMO CC(=O)Nc1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)ccc1Sc1ccc(C)cc1 ZINC000008811927 553149288 /nfs/dbraw/zinc/14/92/88/553149288.db2.gz FUVFCZFVAILLGC-UHFFFAOYSA-N 1 1 520.674 5.186 50 0 KKAAMO CCOC(=O)c1c2cc(O)ccc2n(-c2ccccc2)c1C[NH+]1CCC(C(=O)OCC)(c2ccccc2)CC1 ZINC000008857492 553168293 /nfs/dbraw/zinc/16/82/93/553168293.db2.gz CHKBMOSFDBMDKF-UHFFFAOYSA-N 1 1 526.633 5.610 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000008923133 553190327 /nfs/dbraw/zinc/19/03/27/553190327.db2.gz SPJXXTJDQBPIJC-MHZLTWQESA-N 1 1 527.646 6.325 50 0 KKAAMO COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000009191673 553218611 /nfs/dbraw/zinc/21/86/11/553218611.db2.gz TWXKUKLOLJECQZ-JBOQNHBVSA-N 1 1 525.649 5.287 50 0 KKAAMO COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000009191673 553218612 /nfs/dbraw/zinc/21/86/12/553218612.db2.gz TWXKUKLOLJECQZ-JBOQNHBVSA-N 1 1 525.649 5.287 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433695 553263329 /nfs/dbraw/zinc/26/33/29/553263329.db2.gz DXMUYWPFNJFQFJ-LOYHVIPDSA-N 1 1 529.750 6.388 50 0 KKAAMO CCCC[N@@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433700 553263658 /nfs/dbraw/zinc/26/36/58/553263658.db2.gz WFEMJSZDVAMTCD-WUFINQPMSA-N 1 1 519.711 5.983 50 0 KKAAMO Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000009462359 553268304 /nfs/dbraw/zinc/26/83/04/553268304.db2.gz DKLFFRLVFOICLD-PKTZIBPZSA-N 1 1 509.766 6.046 50 0 KKAAMO CCOC(=O)N1CCC(Nc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC1 ZINC000009531009 553277726 /nfs/dbraw/zinc/27/77/26/553277726.db2.gz YOCOPDNITBRCJC-UHFFFAOYSA-N 1 1 520.431 5.883 50 0 KKAAMO CCC1=Nc2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)ccc2Sc2ccc(C)cc21 ZINC000009561578 553281295 /nfs/dbraw/zinc/28/12/95/553281295.db2.gz VPVFEWRISJICNB-UHFFFAOYSA-N 1 1 516.686 6.072 50 0 KKAAMO C[NH+](C)Cc1cc(-c2nc3ccccc3s2)ccc1OCC(=O)NCCc1nc2ccc(Cl)cc2[nH]1 ZINC000011784898 553342657 /nfs/dbraw/zinc/34/26/57/553342657.db2.gz ZSCZAUBVUNDNOL-UHFFFAOYSA-N 1 1 520.058 5.292 50 0 KKAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1Cl ZINC000011852332 553344847 /nfs/dbraw/zinc/34/48/47/553344847.db2.gz SNSWSHMBBXAZIC-HHHXNRCGSA-N 1 1 559.497 6.666 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)cc1 ZINC000011872548 553348260 /nfs/dbraw/zinc/34/82/60/553348260.db2.gz LJRVQVGTVMTAPI-UHFFFAOYSA-N 1 1 538.635 7.236 50 0 KKAAMO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2ncccn2)C[N@H+]1CC1=CC[C@H]2C[C@@H]1C2(C)C ZINC000011997258 553349958 /nfs/dbraw/zinc/34/99/58/553349958.db2.gz SSGSUVLYPHBJKB-VHXCZSFDSA-N 1 1 518.752 5.877 50 0 KKAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)[C@H](c4ccccc4)C4CCCC4)CC3)cc2)cn1 ZINC000012219207 553354622 /nfs/dbraw/zinc/35/46/22/553354622.db2.gz RWWFCNGZERGFLC-SSEXGKCCSA-N 1 1 500.687 5.396 50 0 KKAAMO C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2cnc3ccccc3c2)C1 ZINC000012244720 553354807 /nfs/dbraw/zinc/35/48/07/553354807.db2.gz DGNHCIXCJZFXMA-JOCHJYFZSA-N 1 1 523.633 5.558 50 0 KKAAMO C[N@@H+](Cc1ccc(OCCN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012246904 553354945 /nfs/dbraw/zinc/35/49/45/553354945.db2.gz WCPJLYYEQLYPGS-UHFFFAOYSA-N 1 1 529.084 5.357 50 0 KKAAMO O=C(c1cc(-c2ccc(F)cc2)nc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012561166 553394593 /nfs/dbraw/zinc/39/45/93/553394593.db2.gz KDOMQQKOZYZNSX-UHFFFAOYSA-N 1 1 501.605 6.588 50 0 KKAAMO CCOc1ccccc1NC(=O)Nc1cccc(C(=O)OC)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012860680 553422905 /nfs/dbraw/zinc/42/29/05/553422905.db2.gz DEOOCSMCSGZRPU-UHFFFAOYSA-N 1 1 501.627 5.971 50 0 KKAAMO Cc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4)nc4ccc(Br)cc43)CC2)cc1 ZINC000013320579 553458463 /nfs/dbraw/zinc/45/84/63/553458463.db2.gz JEIZDWOGLZMBHR-UHFFFAOYSA-N 1 1 500.440 5.931 50 0 KKAAMO COc1ccccc1C(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000014988148 553523858 /nfs/dbraw/zinc/52/38/58/553523858.db2.gz NIDMXKANZRWMFV-NRFANRHFSA-N 1 1 506.668 5.488 50 0 KKAAMO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)Cc2ccc(F)cc2)C3)s1 ZINC000014996718 553524635 /nfs/dbraw/zinc/52/46/35/553524635.db2.gz OWTZSHGYDZQOGR-QFIPXVFZSA-N 1 1 508.659 5.547 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000015942422 553543595 /nfs/dbraw/zinc/54/35/95/553543595.db2.gz QSDARQQTABAUDJ-LJQANCHMSA-N 1 1 504.071 5.502 50 0 KKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000015942345 553543724 /nfs/dbraw/zinc/54/37/24/553543724.db2.gz BRRYJQGYLFSCJN-UHFFFAOYSA-N 1 1 507.078 5.296 50 0 KKAAMO O=C1N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015945367 553544059 /nfs/dbraw/zinc/54/40/59/553544059.db2.gz HZWKHWFQTWWTFH-DEOSSOPVSA-N 1 1 510.446 7.302 50 0 KKAAMO O=C1N[C@H](c2ccc(-c3ccc(Cl)c(Cl)c3)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015945367 553544060 /nfs/dbraw/zinc/54/40/60/553544060.db2.gz HZWKHWFQTWWTFH-DEOSSOPVSA-N 1 1 510.446 7.302 50 0 KKAAMO COC(=O)c1ccccc1NC(=O)c1c(NC(=O)C[NH+]2CCC(C)CC2)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000015946044 553544398 /nfs/dbraw/zinc/54/43/98/553544398.db2.gz HCYBNROQZMJTAY-LJQANCHMSA-N 1 1 525.715 5.608 50 0 KKAAMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@H](C(C)(C)C)C2 ZINC000015946710 553544669 /nfs/dbraw/zinc/54/46/69/553544669.db2.gz IWNNHZUAWFVNEH-VQTJNVASSA-N 1 1 541.758 6.372 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@H](C(C)(C)C)C2 ZINC000015946710 553544671 /nfs/dbraw/zinc/54/46/71/553544671.db2.gz IWNNHZUAWFVNEH-VQTJNVASSA-N 1 1 541.758 6.372 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@@H]3C)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000015946713 553544726 /nfs/dbraw/zinc/54/47/26/553544726.db2.gz MSOJOUOOUUYXGI-OALUTQOASA-N 1 1 527.731 5.982 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCCC[C@@H]3C)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000015946713 553544728 /nfs/dbraw/zinc/54/47/28/553544728.db2.gz MSOJOUOOUUYXGI-OALUTQOASA-N 1 1 527.731 5.982 50 0 KKAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000015946792 553544830 /nfs/dbraw/zinc/54/48/30/553544830.db2.gz KOJBRAJOHGAIBN-ROUUACIJSA-N 1 1 502.124 6.618 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000015946792 553544832 /nfs/dbraw/zinc/54/48/32/553544832.db2.gz KOJBRAJOHGAIBN-ROUUACIJSA-N 1 1 502.124 6.618 50 0 KKAAMO CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[NH2+]Cc3ccco3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000015946821 553544874 /nfs/dbraw/zinc/54/48/74/553544874.db2.gz KMJNCRSKHQHTGE-INIZCTEOSA-N 1 1 500.064 6.126 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000015947263 553545109 /nfs/dbraw/zinc/54/51/09/553545109.db2.gz ZQOLKVJBARGKNO-HHHXNRCGSA-N 1 1 527.646 6.326 50 0 KKAAMO Cc1ccc(C)c(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000016712789 553575013 /nfs/dbraw/zinc/57/50/13/553575013.db2.gz GKTFFWGIOGXBPQ-UHFFFAOYSA-N 1 1 527.594 7.050 50 0 KKAAMO O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000016956571 553585024 /nfs/dbraw/zinc/58/50/24/553585024.db2.gz KDALZIZBRKIEDM-UHFFFAOYSA-N 1 1 517.699 5.238 50 0 KKAAMO Clc1ccc([C@@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3cnn4-c3ccc(Cl)cc3)CC2)cc1 ZINC000017178339 553589815 /nfs/dbraw/zinc/58/98/15/553589815.db2.gz OPVXNLPUKLJHLU-AREMUKBSSA-N 1 1 515.448 6.034 50 0 KKAAMO Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc2ccc(NC(=O)CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020138706 553594337 /nfs/dbraw/zinc/59/43/37/553594337.db2.gz ZTCKQQLMVUILFT-ZEQRLZLVSA-N 1 1 527.713 5.089 50 0 KKAAMO COc1ccc(-c2nc3ccccc3c(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2C)cc1 ZINC000018193363 553608302 /nfs/dbraw/zinc/60/83/02/553608302.db2.gz MURCJNSHBWFSOD-UHFFFAOYSA-N 1 1 527.668 6.766 50 0 KKAAMO CSc1ccc(-c2ccc(C(=O)N(C)C3CCCCC3)c(N3CCC([N@H+]4CCC[C@H](CO)C4)CC3)n2)cc1 ZINC000019113739 553612367 /nfs/dbraw/zinc/61/23/67/553612367.db2.gz HZWSQYVUNPCGFH-QHCPKHFHSA-N 1 1 536.786 5.548 50 0 KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@]12C(=O)Nc1ccccc12 ZINC000070700764 553619467 /nfs/dbraw/zinc/61/94/67/553619467.db2.gz MCVLICXOUXZAIZ-KDLQGFRMSA-N 1 1 542.035 5.062 50 0 biogenic KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2ccc(Cl)c3C)[C@@]12C(=O)Nc1ccccc12 ZINC000070700764 553619470 /nfs/dbraw/zinc/61/94/70/553619470.db2.gz MCVLICXOUXZAIZ-KDLQGFRMSA-N 1 1 542.035 5.062 50 0 biogenic KKAAMO O=C(CSc1nc2ccccc2nc1N1CCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019825192 553620975 /nfs/dbraw/zinc/62/09/75/553620975.db2.gz HCOJGCNVINKXAG-UHFFFAOYSA-N 1 1 523.706 5.256 50 0 KKAAMO CCOc1ccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3nc(-c4ccccc4C)oc3C)C2)cc1OCC ZINC000020240909 553626764 /nfs/dbraw/zinc/62/67/64/553626764.db2.gz WFTYPVSRZVKVGJ-DEOSSOPVSA-N 1 1 505.659 5.327 50 0 KKAAMO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000019908810 553633175 /nfs/dbraw/zinc/63/31/75/553633175.db2.gz YBPYBFSAKCTPRK-YTTGMZPUSA-N 1 1 529.728 6.505 50 0 KKAAMO CCCC[N@@H+](CC)CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355176 553640835 /nfs/dbraw/zinc/64/08/35/553640835.db2.gz HPTRKUJDNQWFPO-JBASAIQMSA-N 1 1 511.666 5.814 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)cc3)C2=O)c1 ZINC000020355490 553641623 /nfs/dbraw/zinc/64/16/23/553641623.db2.gz GMWXSASUYHLBIY-JEZFPDEOSA-N 1 1 523.677 5.814 50 0 KKAAMO O=C(c1c[nH]nc1-c1cccc(Br)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000072328684 553648973 /nfs/dbraw/zinc/64/89/73/553648973.db2.gz IGYZOYFOGJCBKD-UHFFFAOYSA-N 1 1 501.428 5.387 50 0 KKAAMO COc1ccc(C(=O)[C@H](C[C@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000020036358 553667727 /nfs/dbraw/zinc/66/77/27/553667727.db2.gz UIAMBVTUVXCGFO-KAYWLYCHSA-N 1 1 506.687 5.364 50 0 KKAAMO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000079190646 553667753 /nfs/dbraw/zinc/66/77/53/553667753.db2.gz JWHCSLSSRVHCLF-KDYSTLNUSA-N 1 1 533.068 6.400 50 0 biogenic KKAAMO COCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)[C@@H]1c1cccs1 ZINC000020508274 553668093 /nfs/dbraw/zinc/66/80/93/553668093.db2.gz CAUBVGXGZPIDAI-IZLXSDGUSA-N 1 1 519.711 5.092 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000020725010 553689955 /nfs/dbraw/zinc/68/99/55/553689955.db2.gz FPILTBPVAJCRMU-LJQANCHMSA-N 1 1 501.618 6.789 50 0 KKAAMO Cc1cccc(C)c1NC(=S)N(CCC[N@H+](C)C1CCCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000020733223 553692922 /nfs/dbraw/zinc/69/29/22/553692922.db2.gz OECDKXXFNWYZBA-UHFFFAOYSA-N 1 1 537.217 7.660 50 0 KKAAMO Cc1ccc(NC(=S)N(CCC[N@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000020733236 553692945 /nfs/dbraw/zinc/69/29/45/553692945.db2.gz LCFXIMPJDNEOCG-UHFFFAOYSA-N 1 1 523.190 7.352 50 0 KKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020735293 553693290 /nfs/dbraw/zinc/69/32/90/553693290.db2.gz UTDVJYZONKWYOK-QICHVEDASA-N 1 1 511.691 5.889 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)CC1 ZINC000020736294 553693789 /nfs/dbraw/zinc/69/37/89/553693789.db2.gz QKHLRHMQAIWZPB-IMRQLAEWSA-N 1 1 501.627 5.283 50 0 KKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1cccc(C)c1)S2)C1CCCCC1 ZINC000020737459 553694307 /nfs/dbraw/zinc/69/43/07/553694307.db2.gz QQOCHDNESPNGCQ-RTJYLNGCSA-N 1 1 505.728 6.268 50 0 KKAAMO O=C(CN1CCCCC1)Nc1ccc2c(c1)C(c1ccccc1)=Nc1ccc(NC(=O)C[NH+]3CCCCC3)cc1C(c1ccccc1)=N2 ZINC000095696118 553708462 /nfs/dbraw/zinc/70/84/62/553708462.db2.gz PQIMYWBIGWAWPQ-UHFFFAOYSA-N 1 1 638.816 7.187 50 0 KKAAMO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@H+](C)C2CCCCC2)CC1 ZINC000021163030 553709276 /nfs/dbraw/zinc/70/92/76/553709276.db2.gz KQAAWDDAOSIRBY-UHFFFAOYSA-N 1 1 501.719 5.380 50 0 KKAAMO Cc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1 ZINC000021796371 553716766 /nfs/dbraw/zinc/71/67/66/553716766.db2.gz OSYVHRVWSUSNEC-UHFFFAOYSA-N 1 1 503.606 5.124 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000021796522 553717060 /nfs/dbraw/zinc/71/70/60/553717060.db2.gz TXOVMTAJSLUKQJ-UHFFFAOYSA-N 1 1 507.569 5.198 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000021796581 553717097 /nfs/dbraw/zinc/71/70/97/553717097.db2.gz ZBGZCCFZAXKDCH-UHFFFAOYSA-N 1 1 517.633 5.757 50 0 KKAAMO Cc1cccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C)c3)CC2)c1 ZINC000021796750 553717287 /nfs/dbraw/zinc/71/72/87/553717287.db2.gz SVZCCEROPYUSNZ-UHFFFAOYSA-N 1 1 517.633 5.432 50 0 KKAAMO CCOc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C)c3)CC2)cc1 ZINC000021796758 553717345 /nfs/dbraw/zinc/71/73/45/553717345.db2.gz GFCRABIITRROHV-UHFFFAOYSA-N 1 1 517.633 5.757 50 0 KKAAMO C[N@H+]1CCCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(-c3cccc(Cl)c3Cl)c2=S)CC1 ZINC000022039328 553723317 /nfs/dbraw/zinc/72/33/17/553723317.db2.gz DKRLSNARYHYMNN-UHFFFAOYSA-N 1 1 504.531 6.270 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)CCc4ccccc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096275681 553732780 /nfs/dbraw/zinc/73/27/80/553732780.db2.gz CSBOICOEPUTYGL-UHFFFAOYSA-N 1 1 508.666 5.347 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccccc4Cl)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096276738 553733505 /nfs/dbraw/zinc/73/35/05/553733505.db2.gz RKCPYTANHMRVOE-UHFFFAOYSA-N 1 1 519.020 5.512 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000096276916 553733754 /nfs/dbraw/zinc/73/37/54/553733754.db2.gz TZMHDRHIQMWJDS-HHHXNRCGSA-N 1 1 502.058 6.310 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000096276915 553733789 /nfs/dbraw/zinc/73/37/89/553733789.db2.gz TZMHDRHIQMWJDS-MHZLTWQESA-N 1 1 502.058 6.310 50 0 KKAAMO CCOc1ccc([C@@H](CC(=O)N2CC[NH+](CC)CC2)c2cn(Cc3ccc(OC)cc3)c3ccccc23)cc1 ZINC000096278628 553735380 /nfs/dbraw/zinc/73/53/80/553735380.db2.gz YDQQYFVIFFTKSP-SSEXGKCCSA-N 1 1 525.693 5.783 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(OC)c(OC)c2)CC1 ZINC000096287495 553738579 /nfs/dbraw/zinc/73/85/79/553738579.db2.gz ICDWTILXFBHKAU-MHZLTWQESA-N 1 1 511.666 5.393 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(OC)c(OC)c2)CC1 ZINC000096287496 553738634 /nfs/dbraw/zinc/73/86/34/553738634.db2.gz ICDWTILXFBHKAU-HHHXNRCGSA-N 1 1 511.666 5.393 50 0 KKAAMO Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)Nc5ccccc5C)CC4)n3c2)c1 ZINC000096289574 553741654 /nfs/dbraw/zinc/74/16/54/553741654.db2.gz MUPIRWGMXDPGSU-UHFFFAOYSA-N 1 1 529.688 6.943 50 0 KKAAMO Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)Cc5ccc(F)cc5)CC4)n3c2)c1 ZINC000096290082 553743106 /nfs/dbraw/zinc/74/31/06/553743106.db2.gz BDMYDAQKYVAJIS-UHFFFAOYSA-N 1 1 532.663 6.311 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4ccncc4)n3-c3cccc(Cl)c3)c2)CC1 ZINC000096291260 553745038 /nfs/dbraw/zinc/74/50/38/553745038.db2.gz UESQGYZJUJQQTP-UHFFFAOYSA-N 1 1 519.074 5.053 50 0 KKAAMO CCOC(=O)[C@@H]1C[C@@H]1C[NH+]1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659963 553748870 /nfs/dbraw/zinc/74/88/70/553748870.db2.gz YJVBXGFMMSQTKM-RCZVLFRGSA-N 1 1 505.486 5.306 50 0 KKAAMO O[C@@H](Cn1c2ccccc2c2cc(Br)ccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000022873404 553766053 /nfs/dbraw/zinc/76/60/53/553766053.db2.gz VHVJBTKSEFANSC-IZZNHLLZSA-N 1 1 611.584 5.705 50 0 KKAAMO Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2cccnc2)CC1 ZINC000022917906 553766765 /nfs/dbraw/zinc/76/67/65/553766765.db2.gz XHWYPQPWPCTFKL-AQOUDTPCSA-N 1 1 526.688 6.553 50 0 KKAAMO Cc1ccccc1-c1cc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cccc(Cl)c2n1 ZINC000097945581 553773229 /nfs/dbraw/zinc/77/32/29/553773229.db2.gz GZLPBJLHLVKHQG-UHFFFAOYSA-N 1 1 532.087 7.411 50 0 KKAAMO CCc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccc(Cl)c(C)c3n2)cc1 ZINC000097948259 553792584 /nfs/dbraw/zinc/79/25/84/553792584.db2.gz UKGFXHNJJGDJKJ-UHFFFAOYSA-N 1 1 560.141 7.973 50 0 KKAAMO O=C(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097948624 553795270 /nfs/dbraw/zinc/79/52/70/553795270.db2.gz GBYBGFGYABGHMQ-UHFFFAOYSA-N 1 1 586.780 5.634 50 0 KKAAMO CCc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000097948652 553795551 /nfs/dbraw/zinc/79/55/51/553795551.db2.gz MSECDBWUYWAYQS-UHFFFAOYSA-N 1 1 590.565 7.774 50 0 KKAAMO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184577 553805761 /nfs/dbraw/zinc/80/57/61/553805761.db2.gz SAVSFDPMZIGHSU-IXCJQBJRSA-N 1 1 515.455 5.105 50 0 KKAAMO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184663 553805841 /nfs/dbraw/zinc/80/58/41/553805841.db2.gz JGIYYOLCDWVHMV-IXCJQBJRSA-N 1 1 504.556 5.361 50 0 KKAAMO O=c1c2c(nc(SCc3ccc4c(c3)OCO4)n1C1CCCCC1)sc1c2CC[N@@H+](Cc2ccccc2)C1 ZINC000097950980 553806484 /nfs/dbraw/zinc/80/64/84/553806484.db2.gz VZVMBMPWYLCPST-UHFFFAOYSA-N 1 1 545.730 6.543 50 0 KKAAMO O=c1c2c(nc(SCc3ccc4c(c3)OCO4)n1C1CCCCC1)sc1c2CC[N@H+](Cc2ccccc2)C1 ZINC000097950980 553806486 /nfs/dbraw/zinc/80/64/86/553806486.db2.gz VZVMBMPWYLCPST-UHFFFAOYSA-N 1 1 545.730 6.543 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1Br ZINC000025583441 553812002 /nfs/dbraw/zinc/81/20/02/553812002.db2.gz MWJMTXQSZQDKQV-LOSJGSFVSA-N 1 1 501.384 5.570 50 0 KKAAMO COc1cccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(OC)c(Br)c2)N2NC=NC2=[NH+]3)c1 ZINC000025784121 553814128 /nfs/dbraw/zinc/81/41/28/553814128.db2.gz PLQWLBJEVQMNFS-DQEYMECFSA-N 1 1 517.383 5.271 50 0 KKAAMO COc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)c(-c2ccccc2)n3Cc2ccco2)cc1OC ZINC000097952304 553814864 /nfs/dbraw/zinc/81/48/64/553814864.db2.gz NIHOCXHNICKQFF-UHFFFAOYSA-N 1 1 530.628 7.078 50 0 KKAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(F)c4)C3=O)cc2)CC1 ZINC000097956342 553838069 /nfs/dbraw/zinc/83/80/69/553838069.db2.gz BRYRYCCILACZCQ-OSWZSTQVSA-N 1 1 529.637 5.581 50 0 KKAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(F)c4)C3=O)cc2)CC1 ZINC000097956341 553838181 /nfs/dbraw/zinc/83/81/81/553838181.db2.gz BRYRYCCILACZCQ-GGMSWHNTSA-N 1 1 529.637 5.581 50 0 KKAAMO Cc1nc(SCc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097956408 553838817 /nfs/dbraw/zinc/83/88/17/553838817.db2.gz XEVKKZCPKQYRIW-OXIVNLASSA-N 1 1 577.798 6.712 50 0 KKAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(CSc3nc(C)c(C)c(N4CC[NH+](C/C=C/c5ccccc5)CC4)n3)cc2)C1 ZINC000097956429 553838826 /nfs/dbraw/zinc/83/88/26/553838826.db2.gz JUDOYJRKFIVWBY-KXMKAXRESA-N 1 1 613.828 5.636 50 0 KKAAMO CN(Cc1ccccc1)C(=O)c1ccc(CSc2nc(N3CC[NH+](C/C=C/c4ccccc4)CC3)cc(C(C)(C)C)n2)cc1 ZINC000097956466 553839067 /nfs/dbraw/zinc/83/90/67/553839067.db2.gz YRSCBTAYYGHEJK-LFIBNONCSA-N 1 1 605.852 7.174 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)/C=C/c4ccccc4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000097956468 553839084 /nfs/dbraw/zinc/83/90/84/553839084.db2.gz RMRXALDLCVEWGL-QGOAFFKASA-N 1 1 548.731 6.417 50 0 KKAAMO O=C(c1cnn2c1nc(-c1ccccc1)cc2-c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000029493214 553846292 /nfs/dbraw/zinc/84/62/92/553846292.db2.gz JBNYKUKMERSHDR-UHFFFAOYSA-N 1 1 549.678 6.611 50 0 KKAAMO O=C(c1cnn2c1N[C@@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000029747417 553847333 /nfs/dbraw/zinc/84/73/33/553847333.db2.gz LNOTWWQOXHXPJH-LEAFIULHSA-N 1 1 589.618 5.820 50 0 KKAAMO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000097963377 553889280 /nfs/dbraw/zinc/88/92/80/553889280.db2.gz HVWLEBUPARASTD-UHFFFAOYSA-N 1 1 596.844 6.568 50 0 KKAAMO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000097963377 553889285 /nfs/dbraw/zinc/88/92/85/553889285.db2.gz HVWLEBUPARASTD-UHFFFAOYSA-N 1 1 596.844 6.568 50 0 KKAAMO C[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963394 553889592 /nfs/dbraw/zinc/88/95/92/553889592.db2.gz DIGQNOADTWAMPW-UHFFFAOYSA-N 1 1 566.774 5.830 50 0 KKAAMO C[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963394 553889594 /nfs/dbraw/zinc/88/95/94/553889594.db2.gz DIGQNOADTWAMPW-UHFFFAOYSA-N 1 1 566.774 5.830 50 0 KKAAMO O=C(NCCC[NH+]1CCOCC1)/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)NC(=O)c1ccc(Cl)cc1Cl ZINC000097965093 553902492 /nfs/dbraw/zinc/90/24/92/553902492.db2.gz GMQPSNJKBLFKCY-ITYLOYPMSA-N 1 1 610.567 5.517 50 0 KKAAMO O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033353157 553923441 /nfs/dbraw/zinc/92/34/41/553923441.db2.gz ISMCHRGLPYQNBT-UHFFFAOYSA-N 1 1 547.606 6.024 50 0 KKAAMO O[C@@H](COc1ccccc1)CN(CC[N@@H+](C[C@@H](O)COc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000033353342 553924766 /nfs/dbraw/zinc/92/47/66/553924766.db2.gz BMNASIGFPCNXFN-NCRNUEESSA-N 1 1 692.900 8.049 50 0 KKAAMO O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033355339 553934121 /nfs/dbraw/zinc/93/41/21/553934121.db2.gz JKJYESOLKJQSJV-UHFFFAOYSA-N 1 1 549.712 5.083 50 0 KKAAMO CCOC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)c1 ZINC000033356776 553944447 /nfs/dbraw/zinc/94/44/47/553944447.db2.gz CIPFWMDWYHBFSF-MHZLTWQESA-N 1 1 561.107 6.494 50 0 KKAAMO CCOC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)c1 ZINC000033356776 553944443 /nfs/dbraw/zinc/94/44/43/553944443.db2.gz CIPFWMDWYHBFSF-MHZLTWQESA-N 1 1 561.107 6.494 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000033429026 553959746 /nfs/dbraw/zinc/95/97/46/553959746.db2.gz DMBVCXJRXPFFAC-IXCJQBJRSA-N 1 1 505.449 5.649 50 0 KKAAMO Cc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000033933715 553977645 /nfs/dbraw/zinc/97/76/45/553977645.db2.gz OQELHGRXMOMMAJ-ZMJKQRLJSA-N 1 1 510.106 7.698 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671782 553982362 /nfs/dbraw/zinc/98/23/62/553982362.db2.gz NUKYPGXWXORPRV-SZAHLOSFSA-N 1 1 518.701 6.925 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671720 553982531 /nfs/dbraw/zinc/98/25/31/553982531.db2.gz NRPXGIXNMOUMOX-ACHIHNKUSA-N 1 1 505.662 6.012 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671658 553982600 /nfs/dbraw/zinc/98/26/00/553982600.db2.gz PQQHCQBBIKIGRA-LQJZCPKCSA-N 1 1 504.674 6.617 50 0 KKAAMO Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)c1 ZINC000034683727 553985991 /nfs/dbraw/zinc/98/59/91/553985991.db2.gz YZOUBXVVQUGXAA-UHFFFAOYSA-N 1 1 530.665 6.786 50 0 KKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)c(OC)c1OC ZINC000034683915 553986325 /nfs/dbraw/zinc/98/63/25/553986325.db2.gz BMMMKTBOQVOADH-UHFFFAOYSA-N 1 1 528.646 5.020 50 0 KKAAMO Cc1ccsc1C[N@H+]1C[C@H](CN(C(=O)c2ccc(F)cc2)C2CCCCC2)[C@@H](c2ccccc2C)C1 ZINC000034698831 553991482 /nfs/dbraw/zinc/99/14/82/553991482.db2.gz BAKHWBNRVAEMGS-IRPSRAIASA-N 1 1 504.715 7.195 50 0 KKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](c2ccccc2C)[C@@H](CN(C(=O)c2ccc(F)cc2)C2CCCCC2)C1 ZINC000034698830 553991529 /nfs/dbraw/zinc/99/15/29/553991529.db2.gz BAKHWBNRVAEMGS-VAVYLYDRSA-N 1 1 504.715 7.195 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698846 553991555 /nfs/dbraw/zinc/99/15/55/553991555.db2.gz OQDQWEHJGKJEQU-VAVYLYDRSA-N 1 1 520.639 7.103 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699122 553991789 /nfs/dbraw/zinc/99/17/89/553991789.db2.gz CWSPZNYWOHJHMV-JYFHCDHNSA-N 1 1 518.620 6.920 50 0 KKAAMO COc1ccc([C@H]2C[N@@H+](Cc3cc(OC)cc(OC)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699327 553992237 /nfs/dbraw/zinc/99/22/37/553992237.db2.gz NEKMJQLHAZFCCA-FYBSXPHGSA-N 1 1 506.618 5.116 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000034704164 553993373 /nfs/dbraw/zinc/99/33/73/553993373.db2.gz PWBYGGLCHNBEJX-HWCFGDHISA-N 1 1 516.641 5.974 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000034704164 553993370 /nfs/dbraw/zinc/99/33/70/553993370.db2.gz PWBYGGLCHNBEJX-HWCFGDHISA-N 1 1 516.641 5.974 50 0 KKAAMO Cc1cc([C@@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716782 553995676 /nfs/dbraw/zinc/99/56/76/553995676.db2.gz QOWNPVISDLPHGN-VSGBNLITSA-N 1 1 503.637 5.223 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000034716822 553995760 /nfs/dbraw/zinc/99/57/60/553995760.db2.gz GDURILCLJKJVSR-SGNDLWITSA-N 1 1 501.042 5.195 50 0 KKAAMO Cc1cc([C@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716817 553995788 /nfs/dbraw/zinc/99/57/88/553995788.db2.gz UXUMWYGVNIKARA-NSOVKSMOSA-N 1 1 520.092 5.738 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787347 554004295 /nfs/dbraw/zinc/00/42/95/554004295.db2.gz MLZYCXNBBBFQGQ-PMERELPUSA-N 1 1 515.723 5.413 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787347 554004299 /nfs/dbraw/zinc/00/42/99/554004299.db2.gz MLZYCXNBBBFQGQ-PMERELPUSA-N 1 1 515.723 5.413 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034787829 554005393 /nfs/dbraw/zinc/00/53/93/554005393.db2.gz RPVZDCYBNAKNHH-SSEXGKCCSA-N 1 1 515.723 5.331 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034787829 554005390 /nfs/dbraw/zinc/00/53/90/554005390.db2.gz RPVZDCYBNAKNHH-SSEXGKCCSA-N 1 1 515.723 5.331 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034829610 554012139 /nfs/dbraw/zinc/01/21/39/554012139.db2.gz YLZIQSUTTBYZCN-JHOBJCJYSA-N 1 1 515.723 5.411 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034829610 554012135 /nfs/dbraw/zinc/01/21/35/554012135.db2.gz YLZIQSUTTBYZCN-JHOBJCJYSA-N 1 1 515.723 5.411 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034829608 554012219 /nfs/dbraw/zinc/01/22/19/554012219.db2.gz UVIVSZSWSGRXKL-JHOBJCJYSA-N 1 1 531.722 5.248 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034829608 554012216 /nfs/dbraw/zinc/01/22/16/554012216.db2.gz UVIVSZSWSGRXKL-JHOBJCJYSA-N 1 1 531.722 5.248 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034830300 554015368 /nfs/dbraw/zinc/01/53/68/554015368.db2.gz LYTUNMVFZHHQPS-RXFWQSSRSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830382 554015424 /nfs/dbraw/zinc/01/54/24/554015424.db2.gz LUEMCUCYSZVCBV-KDYSTLNUSA-N 1 1 522.114 5.421 50 0 KKAAMO COc1cc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3N2)cc(OC)c1OC ZINC000097985314 554022522 /nfs/dbraw/zinc/02/25/22/554022522.db2.gz LRTSRDOEXNJAEM-LITSAYRRSA-N 1 1 635.687 6.117 50 0 KKAAMO O=C(c1nn2c(c1Br)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097999764 554045647 /nfs/dbraw/zinc/04/56/47/554045647.db2.gz XCTSLVYLKJWXSJ-FYYLOGMGSA-N 1 1 614.466 6.446 50 0 KKAAMO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1CN(C(=O)C[NH+]1CCCCC1)c1ccccc1 ZINC000098000165 554048932 /nfs/dbraw/zinc/04/89/32/554048932.db2.gz CEZBYQWUTGBJLC-UHFFFAOYSA-N 1 1 604.545 6.597 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000035427160 554050679 /nfs/dbraw/zinc/05/06/79/554050679.db2.gz BHCXHXDKMDVGOF-MUUNZHRXSA-N 1 1 512.679 6.235 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000035427160 554050683 /nfs/dbraw/zinc/05/06/83/554050683.db2.gz BHCXHXDKMDVGOF-MUUNZHRXSA-N 1 1 512.679 6.235 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2OC)CC[N@@H+](C)C4)cc1 ZINC000035427184 554051087 /nfs/dbraw/zinc/05/10/87/554051087.db2.gz IOLDJRWZOXJRMN-NDEPHWFRSA-N 1 1 528.678 5.989 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2OC)CC[N@H+](C)C4)cc1 ZINC000035427184 554051084 /nfs/dbraw/zinc/05/10/84/554051084.db2.gz IOLDJRWZOXJRMN-NDEPHWFRSA-N 1 1 528.678 5.989 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCO4)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427270 554051446 /nfs/dbraw/zinc/05/14/46/554051446.db2.gz APGQEDFOSKLZKD-SANMLTNESA-N 1 1 516.598 5.532 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCO4)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427270 554051443 /nfs/dbraw/zinc/05/14/43/554051443.db2.gz APGQEDFOSKLZKD-SANMLTNESA-N 1 1 516.598 5.532 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@H+](C)CC4)cc1C ZINC000035427239 554051698 /nfs/dbraw/zinc/05/16/98/554051698.db2.gz TXPSVVUWKKJHNW-MHZLTWQESA-N 1 1 500.643 6.420 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)cc1C ZINC000035427239 554051700 /nfs/dbraw/zinc/05/17/00/554051700.db2.gz TXPSVVUWKKJHNW-MHZLTWQESA-N 1 1 500.643 6.420 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2F)CC[N@H+](C)C4)c1 ZINC000035427342 554051922 /nfs/dbraw/zinc/05/19/22/554051922.db2.gz IZIGZKFYKFTEDY-AREMUKBSSA-N 1 1 520.605 5.951 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2F)CC[N@@H+](C)C4)c1 ZINC000035427342 554051926 /nfs/dbraw/zinc/05/19/26/554051926.db2.gz IZIGZKFYKFTEDY-AREMUKBSSA-N 1 1 520.605 5.951 50 0 KKAAMO COc1ccc(OC[C@@H](O)C[N@@H+](Cc2cccn2Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)cc1 ZINC000035840645 554080355 /nfs/dbraw/zinc/08/03/55/554080355.db2.gz CIJLPTXUZLNAFG-LJAQVGFWSA-N 1 1 504.715 6.417 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000035842581 554080898 /nfs/dbraw/zinc/08/08/98/554080898.db2.gz QKJGMSOXOMQNMG-WJOKGBTCSA-N 1 1 539.764 6.352 50 0 KKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]2CCCO2)o1 ZINC000035844893 554083324 /nfs/dbraw/zinc/08/33/24/554083324.db2.gz XHLXKHSDXNHGIQ-AREMUKBSSA-N 1 1 514.588 5.859 50 0 KKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]2CCCO2)o1 ZINC000035844893 554083319 /nfs/dbraw/zinc/08/33/19/554083319.db2.gz XHLXKHSDXNHGIQ-AREMUKBSSA-N 1 1 514.588 5.859 50 0 KKAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000035851771 554083481 /nfs/dbraw/zinc/08/34/81/554083481.db2.gz MKOVLHWHLGIGET-ZSNHWWIQSA-N 1 1 504.627 5.172 50 0 KKAAMO COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000035851771 554083477 /nfs/dbraw/zinc/08/34/77/554083477.db2.gz MKOVLHWHLGIGET-ZSNHWWIQSA-N 1 1 504.627 5.172 50 0 KKAAMO O=C(NCCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871442 554085927 /nfs/dbraw/zinc/08/59/27/554085927.db2.gz XGMJJTFICUCZKJ-AHKZPQOWSA-N 1 1 511.563 5.067 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000035908062 554092319 /nfs/dbraw/zinc/09/23/19/554092319.db2.gz CHRHPKPBYVNEJL-NVQXNPDNSA-N 1 1 515.526 5.528 50 0 KKAAMO COc1ccc(OC)c(C[N@H+]2CCCN(c3nc(CC(C)C)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000035924673 554097061 /nfs/dbraw/zinc/09/70/61/554097061.db2.gz APJRRILKPTUEKY-UHFFFAOYSA-N 1 1 514.674 5.052 50 0 KKAAMO Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCC[N@@H+](Cc4cccs4)CC3)c12 ZINC000035924712 554097361 /nfs/dbraw/zinc/09/73/61/554097361.db2.gz RCEUENLQRXQEQT-UHFFFAOYSA-N 1 1 508.695 5.797 50 0 KKAAMO COc1ccc(C[N@H+]2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)cc1 ZINC000035925669 554097911 /nfs/dbraw/zinc/09/79/11/554097911.db2.gz MZKHRDVQOCPUDE-UHFFFAOYSA-N 1 1 504.638 5.127 50 0 KKAAMO Cc1cccc(Oc2cnn(-c3cccc(Cl)c3)c(=O)c2Nc2cccc(C(=O)N3CC[NH+](C)CC3)c2)c1 ZINC000098015489 554099822 /nfs/dbraw/zinc/09/98/22/554099822.db2.gz WJCPDVJIIDMCID-UHFFFAOYSA-N 1 1 530.028 5.118 50 0 KKAAMO COc1ccc(-n2ncc(Oc3cccc(C(C)C)c3)c(Nc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)c2=O)cc1 ZINC000098015673 554101227 /nfs/dbraw/zinc/10/12/27/554101227.db2.gz CPPKERKFBWFQKH-UHFFFAOYSA-N 1 1 553.663 5.288 50 0 KKAAMO COC(=O)c1cccc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000098020058 554116205 /nfs/dbraw/zinc/11/62/05/554116205.db2.gz JKGBEKFMAHGBTE-UHFFFAOYSA-N 1 1 564.513 6.497 50 0 KKAAMO COC(=O)c1cccc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000098020058 554116207 /nfs/dbraw/zinc/11/62/07/554116207.db2.gz JKGBEKFMAHGBTE-UHFFFAOYSA-N 1 1 564.513 6.497 50 0 KKAAMO COC(=O)c1cccc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)c1 ZINC000098020070 554116530 /nfs/dbraw/zinc/11/65/30/554116530.db2.gz BKJXVUMTXYULQB-UHFFFAOYSA-N 1 1 580.556 6.991 50 0 KKAAMO O=C(C[C@@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098021379 554118379 /nfs/dbraw/zinc/11/83/79/554118379.db2.gz CCMFOPWOCMDITI-SSEXGKCCSA-N 1 1 567.655 7.643 50 0 KKAAMO Cc1cccc(CS(=O)(=O)c2ncc(CN(CC[NH+](C)C)C(=O)c3ccccc3C)n2C2CCCCC2)c1 ZINC000036030617 554143593 /nfs/dbraw/zinc/14/35/93/554143593.db2.gz SWIWZVCZJGRDIP-UHFFFAOYSA-N 1 1 536.742 5.183 50 0 KKAAMO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000098048136 554159838 /nfs/dbraw/zinc/15/98/38/554159838.db2.gz ZSUJSMCCRSKRMU-HSZRJFAPSA-N 1 1 571.357 5.541 50 0 KKAAMO O=C(CCCCCn1c(=O)c2cc(Br)ccc2[nH]c1=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000098049446 554166033 /nfs/dbraw/zinc/16/60/33/554166033.db2.gz NQLCPJCEUNPNHN-UHFFFAOYSA-N 1 1 543.531 5.163 50 0 KKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146367 554198218 /nfs/dbraw/zinc/19/82/18/554198218.db2.gz JTVUCQXNNMSOLD-ZEQRLZLVSA-N 1 1 517.428 5.705 50 0 KKAAMO COc1cccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C(C)C)c1OC ZINC000036202368 554200501 /nfs/dbraw/zinc/20/05/01/554200501.db2.gz RITXKLFDYATSFP-UHFFFAOYSA-N 1 1 507.577 6.270 50 0 KKAAMO COc1cccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C(C)C)c1OC ZINC000036202368 554200504 /nfs/dbraw/zinc/20/05/04/554200504.db2.gz RITXKLFDYATSFP-UHFFFAOYSA-N 1 1 507.577 6.270 50 0 KKAAMO COc1cc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C(C)C)cc(OC)c1 ZINC000036203694 554200978 /nfs/dbraw/zinc/20/09/78/554200978.db2.gz QTQGJSIRYLBSCS-UHFFFAOYSA-N 1 1 507.577 6.270 50 0 KKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036302221 554212343 /nfs/dbraw/zinc/21/23/43/554212343.db2.gz QPAHRKFCPVREHH-AREMUKBSSA-N 1 1 519.617 5.520 50 0 KKAAMO CCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036302221 554212341 /nfs/dbraw/zinc/21/23/41/554212341.db2.gz QPAHRKFCPVREHH-AREMUKBSSA-N 1 1 519.617 5.520 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000036303012 554212893 /nfs/dbraw/zinc/21/28/93/554212893.db2.gz FNEGCMADRYJMFX-AZGAKELHSA-N 1 1 507.675 5.384 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000036303012 554212897 /nfs/dbraw/zinc/21/28/97/554212897.db2.gz FNEGCMADRYJMFX-AZGAKELHSA-N 1 1 507.675 5.384 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036303224 554213483 /nfs/dbraw/zinc/21/34/83/554213483.db2.gz OAYQVLHNBZFJSW-VWLOTQADSA-N 1 1 501.602 5.770 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036303224 554213479 /nfs/dbraw/zinc/21/34/79/554213479.db2.gz OAYQVLHNBZFJSW-VWLOTQADSA-N 1 1 501.602 5.770 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)COc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305196 554214830 /nfs/dbraw/zinc/21/48/30/554214830.db2.gz AUWCUDOATMYMCH-RUZDIDTESA-N 1 1 518.057 6.185 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](O)COc1ccccc1C)CC1CC1 ZINC000036304908 554214888 /nfs/dbraw/zinc/21/48/88/554214888.db2.gz FLDVMXRNQGQICX-NDEPHWFRSA-N 1 1 511.666 6.242 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COCc3ccccc3)c(-c3ccccc3)nn2C)c1 ZINC000036305265 554215471 /nfs/dbraw/zinc/21/54/71/554215471.db2.gz ZBQWXVFAFVLXGY-HHHXNRCGSA-N 1 1 529.681 5.924 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)COc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307264 554215871 /nfs/dbraw/zinc/21/58/71/554215871.db2.gz SBSBNXNZKXERSP-VWLOTQADSA-N 1 1 501.602 5.670 50 0 KKAAMO CCCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036313745 554219129 /nfs/dbraw/zinc/21/91/29/554219129.db2.gz YDNUZGVYUFTSJR-MHZLTWQESA-N 1 1 517.645 6.674 50 0 KKAAMO CCCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036313745 554219132 /nfs/dbraw/zinc/21/91/32/554219132.db2.gz YDNUZGVYUFTSJR-MHZLTWQESA-N 1 1 517.645 6.674 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036313714 554219170 /nfs/dbraw/zinc/21/91/70/554219170.db2.gz KOEYRDGQDCSGTH-DQEYMECFSA-N 1 1 528.093 5.785 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036313714 554219174 /nfs/dbraw/zinc/21/91/74/554219174.db2.gz KOEYRDGQDCSGTH-DQEYMECFSA-N 1 1 528.093 5.785 50 0 KKAAMO CCCC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036313747 554219348 /nfs/dbraw/zinc/21/93/48/554219348.db2.gz YDNUZGVYUFTSJR-HHHXNRCGSA-N 1 1 517.645 6.674 50 0 KKAAMO CCCC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036313747 554219351 /nfs/dbraw/zinc/21/93/51/554219351.db2.gz YDNUZGVYUFTSJR-HHHXNRCGSA-N 1 1 517.645 6.674 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036313934 554219380 /nfs/dbraw/zinc/21/93/80/554219380.db2.gz GAOCZNIQMQTMBY-DEOSSOPVSA-N 1 1 519.642 5.661 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1 ZINC000036313934 554219383 /nfs/dbraw/zinc/21/93/83/554219383.db2.gz GAOCZNIQMQTMBY-DEOSSOPVSA-N 1 1 519.642 5.661 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316073 554219703 /nfs/dbraw/zinc/21/97/03/554219703.db2.gz USSMCBOWIAXEKC-AZGAKELHSA-N 1 1 507.675 5.345 50 0 KKAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343837 554222343 /nfs/dbraw/zinc/22/23/43/554222343.db2.gz WKGFAQQAWSMYTJ-LJAQVGFWSA-N 1 1 501.074 5.452 50 0 KKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000036628548 554229305 /nfs/dbraw/zinc/22/93/05/554229305.db2.gz YCKHTEWTZWZKAF-UHFFFAOYSA-N 1 1 507.569 5.198 50 0 KKAAMO C[N@H+]1CCc2c(sc(NC(=O)CCCSc3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 ZINC000036717662 554230495 /nfs/dbraw/zinc/23/04/95/554230495.db2.gz WPNGCQWIHMHNMQ-UHFFFAOYSA-N 1 1 514.141 7.177 50 0 KKAAMO CCc1ccc(-c2cc3n(n2)C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C3=O)cc1 ZINC000037000959 554230482 /nfs/dbraw/zinc/23/04/82/554230482.db2.gz YYXNDEXCXKDAPD-DVIHYUSWSA-N 1 1 547.788 5.534 50 0 KKAAMO C[N@@H+]1CCc2c(sc(NC(=O)CCCSc3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 ZINC000036717662 554230492 /nfs/dbraw/zinc/23/04/92/554230492.db2.gz WPNGCQWIHMHNMQ-UHFFFAOYSA-N 1 1 514.141 7.177 50 0 KKAAMO C[C@@H](NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2cccs2)nc2ccccc21)c1ccccc1 ZINC000037385026 554238940 /nfs/dbraw/zinc/23/89/40/554238940.db2.gz GAMSNEUOMRBAOQ-HSZRJFAPSA-N 1 1 529.710 5.155 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(Cc4ccccc4)n3-c3ccc(C)cc3)cc2)CC1 ZINC000037397765 554240077 /nfs/dbraw/zinc/24/00/77/554240077.db2.gz LEUYRVSVNJHHHZ-UHFFFAOYSA-N 1 1 511.695 5.237 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4cccs4)n3-c3ccc(F)cc3)cc2)CC1 ZINC000037397914 554240242 /nfs/dbraw/zinc/24/02/42/554240242.db2.gz UJBUYJQELNIATG-UHFFFAOYSA-N 1 1 507.660 5.205 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4cccc(OC)c4)n3-c3cccc(C)c3)cc2)CC1 ZINC000037398884 554241100 /nfs/dbraw/zinc/24/11/00/554241100.db2.gz XZEMAOLNQODUDK-UHFFFAOYSA-N 1 1 527.694 5.321 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(OC)cc3)cc2)CC1 ZINC000037398810 554241181 /nfs/dbraw/zinc/24/11/81/554241181.db2.gz WZYQQTYCVSYHPU-UHFFFAOYSA-N 1 1 527.694 5.321 50 0 KKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)cc1 ZINC000037524149 554250009 /nfs/dbraw/zinc/25/00/09/554250009.db2.gz WMWYVHAYEHDZTQ-UHSQPCAPSA-N 1 1 526.618 7.167 50 0 KKAAMO COc1cc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000037560539 554251897 /nfs/dbraw/zinc/25/18/97/554251897.db2.gz XIBSJYCLPWMSDW-UHFFFAOYSA-N 1 1 515.075 5.526 50 0 KKAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@H]4CC)CC3)s2)cc1 ZINC000038139225 554259591 /nfs/dbraw/zinc/25/95/91/554259591.db2.gz AAFSCBARLTYFOK-AREMUKBSSA-N 1 1 579.815 5.327 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000038146203 554269559 /nfs/dbraw/zinc/26/95/59/554269559.db2.gz ABZPZZXSHCGVQI-DHLKQENFSA-N 1 1 529.584 5.263 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000038146203 554269563 /nfs/dbraw/zinc/26/95/63/554269563.db2.gz ABZPZZXSHCGVQI-DHLKQENFSA-N 1 1 529.584 5.263 50 0 KKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043727085 554299079 /nfs/dbraw/zinc/29/90/79/554299079.db2.gz FNUYFHGFTXQGKP-WOZUAGRISA-N 1 1 502.920 5.489 50 0 KKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043727085 554299082 /nfs/dbraw/zinc/29/90/82/554299082.db2.gz FNUYFHGFTXQGKP-WOZUAGRISA-N 1 1 502.920 5.489 50 0 KKAAMO Nc1c2c(nn1-c1ccccc1)nc(N1CC[NH+](Cc3ccc(Cl)cc3)CC1)nc2-c1cccs1 ZINC000044854569 554305296 /nfs/dbraw/zinc/30/52/96/554305296.db2.gz JGQCNRJUTKLIBX-UHFFFAOYSA-N 1 1 502.047 5.102 50 0 KKAAMO Cc1ccccc1OCC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000046853943 554320837 /nfs/dbraw/zinc/32/08/37/554320837.db2.gz CSIGHYVEQZVFIY-UHFFFAOYSA-N 1 1 538.051 5.777 50 0 KKAAMO CC(C)CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000051315010 554329389 /nfs/dbraw/zinc/32/93/89/554329389.db2.gz YRBPCDRXYNGHSC-UHFFFAOYSA-N 1 1 503.737 6.593 50 0 KKAAMO CC(C)CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000051315010 554329393 /nfs/dbraw/zinc/32/93/93/554329393.db2.gz YRBPCDRXYNGHSC-UHFFFAOYSA-N 1 1 503.737 6.593 50 0 KKAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(Cl)c1 ZINC000052595963 554329610 /nfs/dbraw/zinc/32/96/10/554329610.db2.gz QYTDELRIMFHZQO-RDGATRHJSA-N 1 1 509.050 5.450 50 0 KKAAMO O=C(NCCc1cccc(F)c1)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(Cl)c1 ZINC000052595963 554329614 /nfs/dbraw/zinc/32/96/14/554329614.db2.gz QYTDELRIMFHZQO-RDGATRHJSA-N 1 1 509.050 5.450 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)Nc3ccccc3)nc3sc4c(c3c2=O)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000053305833 554332904 /nfs/dbraw/zinc/33/29/04/554332904.db2.gz LLUVZMFXKLIMIR-UHFFFAOYSA-N 1 1 552.725 6.045 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)Nc3ccccc3)nc3sc4c(c3c2=O)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000053305833 554332902 /nfs/dbraw/zinc/33/29/02/554332902.db2.gz LLUVZMFXKLIMIR-UHFFFAOYSA-N 1 1 552.725 6.045 50 0 KKAAMO COc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2ccc3c(c2)OCO3)C[N@@H+](Cc2ccccc2)CC4)cc1 ZINC000053306195 554333608 /nfs/dbraw/zinc/33/36/08/554333608.db2.gz WREXHFJWVGNLND-UHFFFAOYSA-N 1 1 569.708 6.035 50 0 KKAAMO COc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2ccc3c(c2)OCO3)C[N@H+](Cc2ccccc2)CC4)cc1 ZINC000053306195 554333611 /nfs/dbraw/zinc/33/36/11/554333611.db2.gz WREXHFJWVGNLND-UHFFFAOYSA-N 1 1 569.708 6.035 50 0 KKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1ccccc1I ZINC000053319479 554338288 /nfs/dbraw/zinc/33/82/88/554338288.db2.gz OSXNLOFIDKBROI-UHFFFAOYSA-N 1 1 531.825 5.519 50 0 KKAAMO CS(=O)(=O)N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000059647249 554417791 /nfs/dbraw/zinc/41/77/91/554417791.db2.gz WNNPHBWPEWBITK-UHFFFAOYSA-N 1 1 566.045 5.059 50 0 KKAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059785693 554430395 /nfs/dbraw/zinc/43/03/95/554430395.db2.gz DEXFPUZLJYSAEO-WEZPGDKASA-N 1 1 527.624 5.417 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1cc(Cl)cc(Cl)c1 ZINC000100818149 554478380 /nfs/dbraw/zinc/47/83/80/554478380.db2.gz QJSKEUUTFWBAJC-UHFFFAOYSA-N 1 1 550.536 8.142 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1cc(Cl)cc(Cl)c1 ZINC000100818149 554478385 /nfs/dbraw/zinc/47/83/85/554478385.db2.gz QJSKEUUTFWBAJC-UHFFFAOYSA-N 1 1 550.536 8.142 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2-c2nc3ccccc3s2)C1 ZINC000100818176 554478452 /nfs/dbraw/zinc/47/84/52/554478452.db2.gz CTEKIXLVBLENDR-UHFFFAOYSA-N 1 1 530.675 5.697 50 0 KKAAMO Cc1ccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccc(Cl)cc4)[C@@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100987436 554548629 /nfs/dbraw/zinc/54/86/29/554548629.db2.gz JMFMRYMHVVWDKJ-TYDKCCNCSA-N 1 1 530.524 8.043 50 0 KKAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000101064457 554571669 /nfs/dbraw/zinc/57/16/69/554571669.db2.gz DSFLXWSYLKLABO-GCDSYTDFSA-N 1 1 556.460 5.081 50 0 KKAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000101064463 554571689 /nfs/dbraw/zinc/57/16/89/554571689.db2.gz QRJFSCJTYDLBIC-WGTZDZHJSA-N 1 1 576.878 5.426 50 0 KKAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000101064463 554571691 /nfs/dbraw/zinc/57/16/91/554571691.db2.gz QRJFSCJTYDLBIC-WGTZDZHJSA-N 1 1 576.878 5.426 50 0 KKAAMO O=C(c1cc2sc(Br)cc2n1Cc1ccc(Br)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101075302 554576997 /nfs/dbraw/zinc/57/69/97/554576997.db2.gz BMCWLMRSHLBOLZ-UHFFFAOYSA-N 1 1 573.354 6.234 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000101098462 554585514 /nfs/dbraw/zinc/58/55/14/554585514.db2.gz CIHIKSQWZCLWSS-IDISGSTGSA-N 1 1 566.565 5.530 50 0 KKAAMO COc1cccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(-c3cc(C)ccc3C)n2)c1 ZINC000101110707 554641617 /nfs/dbraw/zinc/64/16/17/554641617.db2.gz MBOUGWHMYZZTEB-UHFFFAOYSA-N 1 1 556.710 6.712 50 0 KKAAMO Cc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)CC2)cc1 ZINC000101216285 554683204 /nfs/dbraw/zinc/68/32/04/554683204.db2.gz OAQIEVPJPKTYGI-UHFFFAOYSA-N 1 1 538.051 5.777 50 0 KKAAMO COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000101250708 554694084 /nfs/dbraw/zinc/69/40/84/554694084.db2.gz BDKBPVWBEDYCAV-ULKDHTGTSA-N 1 1 541.648 5.001 50 0 KKAAMO COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@H]1C ZINC000101250708 554694086 /nfs/dbraw/zinc/69/40/86/554694086.db2.gz BDKBPVWBEDYCAV-ULKDHTGTSA-N 1 1 541.648 5.001 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101327350 554729521 /nfs/dbraw/zinc/72/95/21/554729521.db2.gz MUIXRILZWOVHPQ-HKBQPEDESA-N 1 1 559.757 5.080 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000101327350 554729522 /nfs/dbraw/zinc/72/95/22/554729522.db2.gz MUIXRILZWOVHPQ-HKBQPEDESA-N 1 1 559.757 5.080 50 0 KKAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101341760 554735951 /nfs/dbraw/zinc/73/59/51/554735951.db2.gz STONSAUEYFTNLJ-OMICENBGSA-N 1 1 532.427 5.316 50 0 KKAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101341760 554735952 /nfs/dbraw/zinc/73/59/52/554735952.db2.gz STONSAUEYFTNLJ-OMICENBGSA-N 1 1 532.427 5.316 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1)C1CCCCC1 ZINC000101372258 554744714 /nfs/dbraw/zinc/74/47/14/554744714.db2.gz MBSHDLKWUCHVNE-VAMRJTSQSA-N 1 1 541.667 6.177 50 0 KKAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372679 554744909 /nfs/dbraw/zinc/74/49/09/554744909.db2.gz RSZGDGTXLCFVCP-NVMPUMLXSA-N 1 1 627.185 6.711 50 0 KKAAMO COc1ccc(/C=C2\Sc3ccc(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3N(C)C2=O)cc1 ZINC000101373145 554745154 /nfs/dbraw/zinc/74/51/54/554745154.db2.gz GSHCIKASPMZLAY-VEILYXNESA-N 1 1 563.123 5.010 50 0 KKAAMO Cc1ccccc1/C=C1\Sc2ccc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2N(C)C1=O ZINC000101373879 554745502 /nfs/dbraw/zinc/74/55/02/554745502.db2.gz BZPYZUHMPLGHKQ-USHMODERSA-N 1 1 547.124 5.310 50 0 KKAAMO Cc1cccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc3N(C)C2=O)c1 ZINC000101373743 554745580 /nfs/dbraw/zinc/74/55/80/554745580.db2.gz CBEAGAZKXXEFFO-BRPDVVIDSA-N 1 1 544.696 5.186 50 0 KKAAMO COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(C(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)cs3)n2)c(OC)c1 ZINC000101378254 554747344 /nfs/dbraw/zinc/74/73/44/554747344.db2.gz RXGUCKFJONMYEH-HRAATJIYSA-N 1 1 549.619 5.026 50 0 KKAAMO C[N@@H+](CCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)CCN1C(=O)S/C(=C/c2ccc(C(C)(C)C)cc2)C1=O ZINC000101381609 554748516 /nfs/dbraw/zinc/74/85/16/554748516.db2.gz CHJATMATCZOTDK-GJHDBBOXSA-N 1 1 584.163 6.342 50 0 KKAAMO CC1=C(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 ZINC000101454798 554776686 /nfs/dbraw/zinc/77/66/86/554776686.db2.gz NQLQOXOXTPFDTG-AZNJYONISA-N 1 1 514.666 5.625 50 0 KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@H+](C)C4CCCCC4)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000101455143 554776988 /nfs/dbraw/zinc/77/69/88/554776988.db2.gz SXXNDJCQUXRWOZ-RRHRGVEJSA-N 1 1 557.760 6.015 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101505545 554789783 /nfs/dbraw/zinc/78/97/83/554789783.db2.gz OPSYONZQPIEVBX-RFFSZZMTSA-N 1 1 559.453 5.073 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@@H+](Cc4ccccc4)C(C)C)cc3)C2=O)c1 ZINC000101506257 554789923 /nfs/dbraw/zinc/78/99/23/554789923.db2.gz WADWWPYMBDTOBC-IBTHDSTKSA-N 1 1 603.832 8.014 50 0 KKAAMO CC[C@H](C)[N@@H+](CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1)C1CCCCC1 ZINC000101506568 554790488 /nfs/dbraw/zinc/79/04/88/554790488.db2.gz DFDIEPQRYGBSCM-SJVWPHNPSA-N 1 1 565.758 7.125 50 0 KKAAMO Cc1ccc(C)c(CN2C(=O)/C(=C\c3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc3)Sc3ccccc32)c1 ZINC000101507221 554791242 /nfs/dbraw/zinc/79/12/42/554791242.db2.gz VMUAYDZOYMEULS-YRRMYEEHSA-N 1 1 634.821 7.065 50 0 KKAAMO COc1ccc(-n2cc(C(=O)NCCC[N@@H+](Cc3ccco3)[C@@H]3CCC[C@H](C)[C@H]3C)c3ccccc3c2=O)cc1 ZINC000101617000 554806172 /nfs/dbraw/zinc/80/61/72/554806172.db2.gz HWHJDXUHNMMLSZ-BKZGZDJESA-N 1 1 541.692 6.039 50 0 KKAAMO O=C(NCCC[N@@H+](Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101617762 554806414 /nfs/dbraw/zinc/80/64/14/554806414.db2.gz MRCUCPRDJPJKLX-XZWHSSHBSA-N 1 1 545.749 6.516 50 0 KKAAMO Cc1c(Cl)cccc1NC(=S)N(CCC[N@H+](C)C1CCCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000101634779 554812622 /nfs/dbraw/zinc/81/26/22/554812622.db2.gz RNQHJSPECXSXLD-UHFFFAOYSA-N 1 1 557.635 8.005 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000101637510 554813697 /nfs/dbraw/zinc/81/36/97/554813697.db2.gz QEPHRFFVCNSZOH-QOKVKHORSA-N 1 1 574.190 7.404 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000101637706 554813934 /nfs/dbraw/zinc/81/39/34/554813934.db2.gz TVCFXQKKIJCGIZ-XSVYLIDLSA-N 1 1 624.757 6.587 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101670943 554824454 /nfs/dbraw/zinc/82/44/54/554824454.db2.gz JMKLVSPRGBSJDC-BANVDVKSSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101670943 554824455 /nfs/dbraw/zinc/82/44/55/554824455.db2.gz JMKLVSPRGBSJDC-BANVDVKSSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101671309 554824646 /nfs/dbraw/zinc/82/46/46/554824646.db2.gz SNYJBURTIYPEDF-BANVDVKSSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101671309 554824649 /nfs/dbraw/zinc/82/46/49/554824649.db2.gz SNYJBURTIYPEDF-BANVDVKSSA-N 1 1 556.062 5.452 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000101683572 554828689 /nfs/dbraw/zinc/82/86/89/554828689.db2.gz AFENDXGDVAFBSC-VYPRRCLOSA-N 1 1 541.047 6.302 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000101683572 554828691 /nfs/dbraw/zinc/82/86/91/554828691.db2.gz AFENDXGDVAFBSC-VYPRRCLOSA-N 1 1 541.047 6.302 50 0 KKAAMO CSc1cccc(NC(=O)CC[C@H]2C[N@H+](Cc3ccccn3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000101754750 554835837 /nfs/dbraw/zinc/83/58/37/554835837.db2.gz JBZRMTWOJYPGPV-QABMSTFYSA-N 1 1 597.751 6.254 50 0 KKAAMO CSc1cccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000101754750 554835839 /nfs/dbraw/zinc/83/58/39/554835839.db2.gz JBZRMTWOJYPGPV-QABMSTFYSA-N 1 1 597.751 6.254 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)Nc3ccc4c(c3)Nc3ccccc3CC4)[N@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000101759454 554836592 /nfs/dbraw/zinc/83/65/92/554836592.db2.gz VSTZRZLCXWCFTN-NDKRRWIDSA-N 1 1 565.739 6.920 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)Nc3ccc4c(c3)Nc3ccccc3CC4)[N@@H+](Cc3cccc(OC)c3)C2)cc1 ZINC000101759454 554836595 /nfs/dbraw/zinc/83/65/95/554836595.db2.gz VSTZRZLCXWCFTN-NDKRRWIDSA-N 1 1 565.739 6.920 50 0 KKAAMO COc1ccccc1CC(=O)N1CC[NH+](Cc2ccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC000101880293 554845875 /nfs/dbraw/zinc/84/58/75/554845875.db2.gz BKKDWEXOADPUNE-UHFFFAOYSA-N 1 1 536.554 5.318 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2C)CC[N@H+](C)C4)c1 ZINC000101916543 554850415 /nfs/dbraw/zinc/85/04/15/554850415.db2.gz FRVDVVHRZOPBHW-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2C)CC[N@@H+](C)C4)c1 ZINC000101916543 554850418 /nfs/dbraw/zinc/85/04/18/554850418.db2.gz FRVDVVHRZOPBHW-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO Cc1cc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)c(=O)[nH]c1C ZINC000101957618 554853286 /nfs/dbraw/zinc/85/32/86/554853286.db2.gz ZCPWPQGOGFMQLB-NDEPHWFRSA-N 1 1 538.692 5.636 50 0 KKAAMO COc1ccc(CNC(=O)CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000102040839 554869603 /nfs/dbraw/zinc/86/96/03/554869603.db2.gz DONJQOYUORNANO-GMCHKSTQSA-N 1 1 594.722 5.823 50 0 KKAAMO COc1ccc(CNC(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000102040839 554869605 /nfs/dbraw/zinc/86/96/05/554869605.db2.gz DONJQOYUORNANO-GMCHKSTQSA-N 1 1 594.722 5.823 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000102050838 554871236 /nfs/dbraw/zinc/87/12/36/554871236.db2.gz WBFSLCYZEWWMLR-PMERELPUSA-N 1 1 573.778 6.165 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084846 554876274 /nfs/dbraw/zinc/87/62/74/554876274.db2.gz VNLWYPCISHMONB-NDEPHWFRSA-N 1 1 574.102 7.007 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084846 554876275 /nfs/dbraw/zinc/87/62/75/554876275.db2.gz VNLWYPCISHMONB-NDEPHWFRSA-N 1 1 574.102 7.007 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000102102993 554882045 /nfs/dbraw/zinc/88/20/45/554882045.db2.gz LGSRWZQPSDLOHH-JGCGQSQUSA-N 1 1 553.791 6.598 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccc(Cl)cc1 ZINC000102102965 554882050 /nfs/dbraw/zinc/88/20/50/554882050.db2.gz XFFPCSSFGXLHQG-WJOKGBTCSA-N 1 1 604.235 7.088 50 0 KKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(Cl)c1 ZINC000102102934 554882066 /nfs/dbraw/zinc/88/20/66/554882066.db2.gz WFTSUUYZMALHMX-UHFFFAOYSA-N 1 1 556.965 7.858 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cnn2-c2ccc(F)cc2)CC1 ZINC000102132872 554887070 /nfs/dbraw/zinc/88/70/70/554887070.db2.gz VQNNOGGYSZXNIS-UHFFFAOYSA-N 1 1 561.702 5.304 50 0 KKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCOc2ccccc2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000102145028 554889333 /nfs/dbraw/zinc/88/93/33/554889333.db2.gz UIYJCNHFOFRNBG-RRPNLBNLSA-N 1 1 525.624 5.251 50 0 KKAAMO CC(C)[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000102230980 554900268 /nfs/dbraw/zinc/90/02/68/554900268.db2.gz KAEMSCOAMGSVKS-UHFFFAOYSA-N 1 1 577.383 8.263 50 0 KKAAMO CC(C)[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000102230980 554900270 /nfs/dbraw/zinc/90/02/70/554900270.db2.gz KAEMSCOAMGSVKS-UHFFFAOYSA-N 1 1 577.383 8.263 50 0 KKAAMO COc1cc(NC(=O)CC[C@H]2C[N@H+](C(C)C)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(OC)c1 ZINC000102239990 554902554 /nfs/dbraw/zinc/90/25/54/554902554.db2.gz UPSJKMJNANSABA-RBISFHTESA-N 1 1 562.677 5.362 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102254104 554904264 /nfs/dbraw/zinc/90/42/64/554904264.db2.gz RGYKOMQVFFEZHE-CCLHPLFOSA-N 1 1 556.559 6.074 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C2)cc1OC ZINC000102312563 554910039 /nfs/dbraw/zinc/91/00/39/554910039.db2.gz LKFLRVNEZBCEAP-WUFINQPMSA-N 1 1 580.729 5.110 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NC2CCCCCCC2)CC1 ZINC000102402786 554920094 /nfs/dbraw/zinc/92/00/94/554920094.db2.gz JXJKVZHWEJWVDU-IGYGKHONSA-N 1 1 546.800 5.717 50 0 KKAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)NC2CCCCCCC2)CC1 ZINC000102402786 554920097 /nfs/dbraw/zinc/92/00/97/554920097.db2.gz JXJKVZHWEJWVDU-IGYGKHONSA-N 1 1 546.800 5.717 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[N@H+](Cc2ccccc2)C1 ZINC000102408074 554922575 /nfs/dbraw/zinc/92/25/75/554922575.db2.gz SRSSCEIEOCQIQV-WUFINQPMSA-N 1 1 520.677 5.092 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nc3sc4c(c3c2=O)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000102435855 554928043 /nfs/dbraw/zinc/92/80/43/554928043.db2.gz WZOOQDCEVWBNND-UHFFFAOYSA-N 1 1 566.752 6.353 50 0 KKAAMO Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nc3sc4c(c3c2=O)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000102435855 554928045 /nfs/dbraw/zinc/92/80/45/554928045.db2.gz WZOOQDCEVWBNND-UHFFFAOYSA-N 1 1 566.752 6.353 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc3c(c2)OCO3)CC[N@H+](C)C4)cc1 ZINC000102499642 554942166 /nfs/dbraw/zinc/94/21/66/554942166.db2.gz LODYCJMUZCMJKL-HHHXNRCGSA-N 1 1 528.634 5.401 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc3c(c2)OCO3)CC[N@@H+](C)C4)cc1 ZINC000102499642 554942169 /nfs/dbraw/zinc/94/21/69/554942169.db2.gz LODYCJMUZCMJKL-HHHXNRCGSA-N 1 1 528.634 5.401 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(F)ccc2F)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499819 554942489 /nfs/dbraw/zinc/94/24/89/554942489.db2.gz CUADDBCORCNSAC-RUZDIDTESA-N 1 1 525.024 6.595 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(F)ccc2F)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499819 554942491 /nfs/dbraw/zinc/94/24/91/554942491.db2.gz CUADDBCORCNSAC-RUZDIDTESA-N 1 1 525.024 6.595 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)cc1OC ZINC000102499928 554942510 /nfs/dbraw/zinc/94/25/10/554942510.db2.gz SKXOSTVABMORAA-MHZLTWQESA-N 1 1 532.641 5.820 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@H+](C)CC4)cc1OC ZINC000102499928 554942513 /nfs/dbraw/zinc/94/25/13/554942513.db2.gz SKXOSTVABMORAA-MHZLTWQESA-N 1 1 532.641 5.820 50 0 KKAAMO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)c2cccc(Cn4cccn4)c2)C3)s1 ZINC000102548888 554960573 /nfs/dbraw/zinc/96/05/73/554960573.db2.gz CZZRJWORNLZJDH-VWLOTQADSA-N 1 1 556.732 5.724 50 0 KKAAMO Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1 ZINC000102754701 555046757 /nfs/dbraw/zinc/04/67/57/555046757.db2.gz LCMYTVLRSNDLFM-UHFFFAOYSA-N 1 1 562.139 5.301 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000102766109 555055000 /nfs/dbraw/zinc/05/50/00/555055000.db2.gz QICYJTVBRNHKCX-USHMODERSA-N 1 1 534.125 6.237 50 0 KKAAMO O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000102766392 555055275 /nfs/dbraw/zinc/05/52/75/555055275.db2.gz CJDXXKCHRJFZFV-ITYLOYPMSA-N 1 1 537.607 5.530 50 0 KKAAMO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1Br ZINC000102768861 555056326 /nfs/dbraw/zinc/05/63/26/555056326.db2.gz IUSSHSHRGZTCKW-OVVQPSECSA-N 1 1 578.532 5.282 50 0 KKAAMO CCOc1ccc(-c2nc3ccc(C(=O)NCC[N@@H+](C)Cc4ccccc4)cc3nc2-c2ccc(OCC)cc2)cc1 ZINC000102771923 555060975 /nfs/dbraw/zinc/06/09/75/555060975.db2.gz KRGMKJLWAHSKGQ-UHFFFAOYSA-N 1 1 560.698 6.623 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000102783212 555066618 /nfs/dbraw/zinc/06/66/18/555066618.db2.gz RLEWRWPWBMAVGT-OBAPADDSSA-N 1 1 546.667 5.983 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000102783212 555066619 /nfs/dbraw/zinc/06/66/19/555066619.db2.gz RLEWRWPWBMAVGT-OBAPADDSSA-N 1 1 546.667 5.983 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000102787160 555068005 /nfs/dbraw/zinc/06/80/05/555068005.db2.gz FBJSPDULSNATLP-HSZRJFAPSA-N 1 1 552.115 6.785 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000102825634 555077440 /nfs/dbraw/zinc/07/74/40/555077440.db2.gz CDUPZRNDUXJOET-RRPNLBNLSA-N 1 1 520.677 5.092 50 0 KKAAMO COc1ccc(-c2cccc(-c3nc(C[N@H+]4CCC[C@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c(OC)c1OC ZINC000102830536 555078413 /nfs/dbraw/zinc/07/84/13/555078413.db2.gz UKRVWVTXEJBPTJ-AREMUKBSSA-N 1 1 584.826 8.645 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102843905 555084088 /nfs/dbraw/zinc/08/40/88/555084088.db2.gz NYUDNNDZEZYLFM-CLYVBNDRSA-N 1 1 560.522 5.905 50 0 KKAAMO O=C(c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000102958395 555174671 /nfs/dbraw/zinc/17/46/71/555174671.db2.gz XEZDKLOPVZHTJF-UHFFFAOYSA-N 1 1 533.075 6.740 50 0 KKAAMO O=C(c1ccc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccc3c(c2)OCO3)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000102961478 555177091 /nfs/dbraw/zinc/17/70/91/555177091.db2.gz YYKOKTKRIRWYOR-YTTGMZPUSA-N 1 1 560.654 5.140 50 0 KKAAMO O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103035490 555222591 /nfs/dbraw/zinc/22/25/91/555222591.db2.gz FNKKHGKDGATKLO-PMERELPUSA-N 1 1 538.091 6.135 50 0 KKAAMO CCCCCc1ccc(C(=O)Oc2ccc(-c3[nH+]c4ccc(Br)cn4c3NC3CCCCC3)cc2OC)cc1 ZINC000103061435 555242600 /nfs/dbraw/zinc/24/26/00/555242600.db2.gz UOTRPUBQULFBGD-UHFFFAOYSA-N 1 1 590.562 8.469 50 0 KKAAMO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(C(F)(F)F)c1 ZINC000103072347 555252227 /nfs/dbraw/zinc/25/22/27/555252227.db2.gz ISZLJUAQHPEGED-UHFFFAOYSA-N 1 1 590.517 8.367 50 0 KKAAMO O=C(c1cc(Cl)cc(Cl)c1)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000103080141 555258881 /nfs/dbraw/zinc/25/88/81/555258881.db2.gz KDLLUOWNZBNOEW-UHFFFAOYSA-N 1 1 552.329 7.254 50 0 KKAAMO CC(C)(C)c1ccc(CN(CCC(c2ccccc2)c2ccccc2)Cc2nc(C(=O)NCCC[NH+]3CCOCC3)cs2)cc1 ZINC000103080481 555259257 /nfs/dbraw/zinc/25/92/57/555259257.db2.gz PIMHPDUDZLYNLC-UHFFFAOYSA-N 1 1 624.895 7.117 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)c1Oc1ccc(F)cc1 ZINC000103098450 555275786 /nfs/dbraw/zinc/27/57/86/555275786.db2.gz LXZYMYRDLIUVKL-DEOSSOPVSA-N 1 1 531.584 5.784 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@H](O)COCc2ccco2)c1Oc1ccc(F)cc1 ZINC000103098450 555275788 /nfs/dbraw/zinc/27/57/88/555275788.db2.gz LXZYMYRDLIUVKL-DEOSSOPVSA-N 1 1 531.584 5.784 50 0 KKAAMO CC(C)[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000103204604 555338765 /nfs/dbraw/zinc/33/87/65/555338765.db2.gz GNVYSLWFVCJBOJ-YTTGMZPUSA-N 1 1 569.790 6.325 50 0 KKAAMO COc1ccc(-n2nc3nc(N4CC[NH+](Cc5ccc(Cl)cc5)CC4)nc(-c4cccc(F)c4F)c3c2N)cc1 ZINC000103247665 555343713 /nfs/dbraw/zinc/34/37/13/555343713.db2.gz HZZQMIQDEPFJIZ-UHFFFAOYSA-N 1 1 562.024 5.327 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC000103355302 555364035 /nfs/dbraw/zinc/36/40/35/555364035.db2.gz RFNCQQRMQIRZNF-DGWMSVCXSA-N 1 1 545.793 5.670 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccc(C)cc4)c(C[NH+]4CCN(C(=O)[C@@H]5CCC[C@H](OC)C5)CC4)n3c2)c1 ZINC000103360310 555364618 /nfs/dbraw/zinc/36/46/18/555364618.db2.gz XOWLTBUFTZDVDQ-DGPALRBDSA-N 1 1 566.746 6.225 50 0 KKAAMO CO[C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3c(-c4ccc(C)cc4)nc4ccc(-c5ccccc5Cl)cn43)CC2)C1 ZINC000103372865 555367739 /nfs/dbraw/zinc/36/77/39/555367739.db2.gz GEMCPGHCOXEHRM-VPUSJEBWSA-N 1 1 557.138 6.480 50 0 KKAAMO Cc1ccc(-c2nc3ccc(-c4cccc(C(F)(F)F)c4)cn3c2C[NH+]2CCN(C(=O)CC(C)C)CC2)cc1 ZINC000103391822 555376286 /nfs/dbraw/zinc/37/62/86/555376286.db2.gz VJCDKRQDWAIXHW-UHFFFAOYSA-N 1 1 534.626 6.686 50 0 KKAAMO Cc1cccc(C)c1NC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000103398443 555385204 /nfs/dbraw/zinc/38/52/04/555385204.db2.gz OXGMRAQEIXDOBQ-UHFFFAOYSA-N 1 1 583.658 7.654 50 0 KKAAMO C[C@@H](c1ccccc1)N(CCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000103404457 555390625 /nfs/dbraw/zinc/39/06/25/555390625.db2.gz VZSCUFKYANCMJS-PHPYJFGCSA-N 1 1 604.839 7.052 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000103419494 555399943 /nfs/dbraw/zinc/39/99/43/555399943.db2.gz AKLRAFDBVWIRCD-XIFFEERXSA-N 1 1 587.764 6.963 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2cccc(Oc3ccccc3)c2)CC1 ZINC000103421670 555402545 /nfs/dbraw/zinc/40/25/45/555402545.db2.gz BSVUMEZMBCWHGF-UMSFTDKQSA-N 1 1 573.737 7.177 50 0 KKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435283 555417727 /nfs/dbraw/zinc/41/77/27/555417727.db2.gz GPYPMTXZOSLUGD-RCZVLFRGSA-N 1 1 534.544 6.889 50 0 KKAAMO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)cc1)Cc1ccc(Cl)cc1 ZINC000103439031 555418852 /nfs/dbraw/zinc/41/88/52/555418852.db2.gz PLGGPWWWHDZTFT-UHFFFAOYSA-N 1 1 538.519 6.585 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(C(C)(C)C)cc2)CC1 ZINC000103483273 555421096 /nfs/dbraw/zinc/42/10/96/555421096.db2.gz JJAXKRVNGXOPOD-WJOKGBTCSA-N 1 1 537.748 6.682 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000103483251 555421160 /nfs/dbraw/zinc/42/11/60/555421160.db2.gz XAABDTJMFQPEHS-MHZLTWQESA-N 1 1 537.601 6.534 50 0 KKAAMO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C(=O)c3cc(OC)cc(OC)c3)CCCCC2)cc(OC)c1 ZINC000103578552 555451191 /nfs/dbraw/zinc/45/11/91/555451191.db2.gz SKPOOLAPFIGVPI-DLLPINGYSA-N 1 1 593.765 5.769 50 0 KKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000103727472 555465583 /nfs/dbraw/zinc/46/55/83/555465583.db2.gz WDOSKLSDJSTYEX-VMPREFPWSA-N 1 1 513.707 5.536 50 0 KKAAMO COc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101304323 571361285 /nfs/dbraw/zinc/36/12/85/571361285.db2.gz WAMUCDUULIFERN-CXNUKBDRSA-N 1 1 540.619 5.985 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101304323 571361286 /nfs/dbraw/zinc/36/12/86/571361286.db2.gz WAMUCDUULIFERN-CXNUKBDRSA-N 1 1 540.619 5.985 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101304323 571361287 /nfs/dbraw/zinc/36/12/87/571361287.db2.gz WAMUCDUULIFERN-CXNUKBDRSA-N 1 1 540.619 5.985 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288106 571361539 /nfs/dbraw/zinc/36/15/39/571361539.db2.gz BHTAONNSBUPQGY-HATVSKDLSA-N 1 1 554.646 6.457 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288106 571361540 /nfs/dbraw/zinc/36/15/40/571361540.db2.gz BHTAONNSBUPQGY-HATVSKDLSA-N 1 1 554.646 6.457 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288106 571361541 /nfs/dbraw/zinc/36/15/41/571361541.db2.gz BHTAONNSBUPQGY-HATVSKDLSA-N 1 1 554.646 6.457 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288142 571361591 /nfs/dbraw/zinc/36/15/91/571361591.db2.gz UYDGXMBPUCJLHT-KHLUAOTOSA-N 1 1 560.675 6.519 50 0 KKAAMO O=C(OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1)c1ccc(Cl)cc1 ZINC000104170599 571376029 /nfs/dbraw/zinc/37/60/29/571376029.db2.gz NGZOSZZCEAMNQV-UHFFFAOYSA-N 1 1 542.532 6.461 50 0 KKAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3cccc(C(F)(F)F)c3)[C@H](C)C(C)C)n2)C1 ZINC000104962685 571388588 /nfs/dbraw/zinc/38/85/88/571388588.db2.gz MTGSXIHYCJSSAY-QUCCMNQESA-N 1 1 509.569 5.155 50 0 KKAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3cccc(C(F)(F)F)c3)[C@H](C)C(C)C)n2)C1 ZINC000104962685 571388590 /nfs/dbraw/zinc/38/85/90/571388590.db2.gz MTGSXIHYCJSSAY-QUCCMNQESA-N 1 1 509.569 5.155 50 0 KKAAMO CCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@H](C)CC ZINC000105000799 571389063 /nfs/dbraw/zinc/38/90/63/571389063.db2.gz QIMXNGXATPZSKZ-AUSIDOKSSA-N 1 1 502.055 5.633 50 0 KKAAMO Cc1cccc(C[N@@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105041443 571390172 /nfs/dbraw/zinc/39/01/72/571390172.db2.gz QUHIANOGRRULSF-LEAFIULHSA-N 1 1 512.591 6.919 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000105042223 571390208 /nfs/dbraw/zinc/39/02/08/571390208.db2.gz CNTXCCWOMMLYHD-WNCULLNHSA-N 1 1 516.579 6.760 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000105059879 571390518 /nfs/dbraw/zinc/39/05/18/571390518.db2.gz XMMDSCAWMHZESU-DCFHFQCYSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000105059879 571390519 /nfs/dbraw/zinc/39/05/19/571390519.db2.gz XMMDSCAWMHZESU-DCFHFQCYSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000105059451 571390534 /nfs/dbraw/zinc/39/05/34/571390534.db2.gz SVAXEGFFFRXBLC-DCFHFQCYSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000105059451 571390535 /nfs/dbraw/zinc/39/05/35/571390535.db2.gz SVAXEGFFFRXBLC-DCFHFQCYSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2cccc(Br)c2)CC1 ZINC000105060434 571390714 /nfs/dbraw/zinc/39/07/14/571390714.db2.gz CIHIKSQWZCLWSS-ZBLYBZFDSA-N 1 1 566.565 5.530 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000105060411 571390789 /nfs/dbraw/zinc/39/07/89/571390789.db2.gz MNYODBKMFQHKQZ-BTYSJIOQSA-N 1 1 507.744 5.424 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000105060487 571390846 /nfs/dbraw/zinc/39/08/46/571390846.db2.gz FWZPRJIMSLCVPB-DNOBIOAJSA-N 1 1 575.537 6.296 50 0 KKAAMO Cc1ccc(-c2nnc(SCc3ccccc3C(=O)N3CC[NH+](C)CC3)n2-c2ccc(F)cc2)cc1 ZINC000105077997 571391210 /nfs/dbraw/zinc/39/12/10/571391210.db2.gz VDTMATDGXIVLNW-UHFFFAOYSA-N 1 1 501.631 5.062 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC000107385952 571420015 /nfs/dbraw/zinc/42/00/15/571420015.db2.gz RFNCQQRMQIRZNF-ZAMHBHJCSA-N 1 1 545.793 5.670 50 0 KKAAMO COc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000150396137 571476216 /nfs/dbraw/zinc/47/62/16/571476216.db2.gz GRHGIWBEULFGSU-MUUNZHRXSA-N 1 1 640.637 5.541 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150396103 571476255 /nfs/dbraw/zinc/47/62/55/571476255.db2.gz HWAWYDAEOFZDMI-WJOKGBTCSA-N 1 1 664.272 5.676 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150396508 571476602 /nfs/dbraw/zinc/47/66/02/571476602.db2.gz KJHCZVNSRWMCSC-HKBQPEDESA-N 1 1 668.691 6.321 50 0 KKAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000150403572 571478799 /nfs/dbraw/zinc/47/87/99/571478799.db2.gz WUTQKDJHCOFERT-UHFFFAOYSA-N 1 1 635.592 6.996 50 0 KKAAMO CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)C(=O)C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000150464012 571507695 /nfs/dbraw/zinc/50/76/95/571507695.db2.gz QQTYJPNYUJBFCV-DHUJRADRSA-N 1 1 695.782 7.606 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000169681013 571557595 /nfs/dbraw/zinc/55/75/95/571557595.db2.gz SVAXEGFFFRXBLC-CCLHPLFOSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@@H](C)C1 ZINC000169681013 571557596 /nfs/dbraw/zinc/55/75/96/571557596.db2.gz SVAXEGFFFRXBLC-CCLHPLFOSA-N 1 1 508.087 5.031 50 0 KKAAMO O=C(NCCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681828 571557688 /nfs/dbraw/zinc/55/76/88/571557688.db2.gz XGMJJTFICUCZKJ-VPUSJEBWSA-N 1 1 511.563 5.067 50 0 KKAAMO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000169699074 571558788 /nfs/dbraw/zinc/55/87/88/571558788.db2.gz YPZPBBXTFUQNMT-VUGUGDOLSA-N 1 1 525.023 6.450 50 0 KKAAMO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@@H](C(=O)c2ccccc2)[C@@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000169699074 571558789 /nfs/dbraw/zinc/55/87/89/571558789.db2.gz YPZPBBXTFUQNMT-VUGUGDOLSA-N 1 1 525.023 6.450 50 0 KKAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cc(-c3cccs3)ccc1OCC(=O)N1CCC(C)CC1)CC2 ZINC000299792621 572137489 /nfs/dbraw/zinc/13/74/89/572137489.db2.gz FZCGLAXWHPBJBH-UHFFFAOYSA-N 1 1 520.695 5.628 50 0 KKAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(-c3cccs3)ccc1OCC(=O)N1CCC(C)CC1)CC2 ZINC000299792621 572137493 /nfs/dbraw/zinc/13/74/93/572137493.db2.gz FZCGLAXWHPBJBH-UHFFFAOYSA-N 1 1 520.695 5.628 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000299800903 572138268 /nfs/dbraw/zinc/13/82/68/572138268.db2.gz WDKKIPBRQIMLKL-QCENPCRXSA-N 1 1 553.751 5.011 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000229622644 572157772 /nfs/dbraw/zinc/15/77/72/572157772.db2.gz ZGKAYFNNHKDJHQ-VPCISXJNSA-N 1 1 562.851 5.117 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000229622644 572157775 /nfs/dbraw/zinc/15/77/75/572157775.db2.gz ZGKAYFNNHKDJHQ-VPCISXJNSA-N 1 1 562.851 5.117 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229630634 572158137 /nfs/dbraw/zinc/15/81/37/572158137.db2.gz JMKLVSPRGBSJDC-RTXLYREFSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000229630634 572158143 /nfs/dbraw/zinc/15/81/43/572158143.db2.gz JMKLVSPRGBSJDC-RTXLYREFSA-N 1 1 556.062 5.452 50 0 KKAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C2/C(=C\c3ccc(Cl)cc3)CCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 ZINC000229862073 572161971 /nfs/dbraw/zinc/16/19/71/572161971.db2.gz OURKDNVLOVJUDH-VAUJAERDSA-N 1 1 573.568 6.934 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230076644 572182598 /nfs/dbraw/zinc/18/25/98/572182598.db2.gz UPJCCALPMBAUFV-IZLXSDGUSA-N 1 1 503.712 5.713 50 0 KKAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)C[C@@H]2C)c1 ZINC000230077037 572182969 /nfs/dbraw/zinc/18/29/69/572182969.db2.gz DQWOZLGJVALEIT-RVQNBHMFSA-N 1 1 558.792 5.710 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000245246106 572218866 /nfs/dbraw/zinc/21/88/66/572218866.db2.gz IOHJNHCBHSXXMW-VPBXCIAMSA-N 1 1 567.951 5.522 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000245246106 572218869 /nfs/dbraw/zinc/21/88/69/572218869.db2.gz IOHJNHCBHSXXMW-VPBXCIAMSA-N 1 1 567.951 5.522 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000245280765 572224665 /nfs/dbraw/zinc/22/46/65/572224665.db2.gz SMDDWHJQJCJJKN-JWQCQUIFSA-N 1 1 529.628 5.410 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000245280765 572224666 /nfs/dbraw/zinc/22/46/66/572224666.db2.gz SMDDWHJQJCJJKN-JWQCQUIFSA-N 1 1 529.628 5.410 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000245280350 572224738 /nfs/dbraw/zinc/22/47/38/572224738.db2.gz NQDQCBLOTFRIRX-JWQCQUIFSA-N 1 1 528.093 5.641 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000245280350 572224739 /nfs/dbraw/zinc/22/47/39/572224739.db2.gz NQDQCBLOTFRIRX-JWQCQUIFSA-N 1 1 528.093 5.641 50 0 KKAAMO Cc1cccc(NC(=O)[C@H](C[N@H+](Cc2ccc3c(c2)OCO3)C[C@H]2CCCO2)Oc2cccc(C)c2)c1 ZINC000245280448 572224770 /nfs/dbraw/zinc/22/47/70/572224770.db2.gz QMTCUQUMPWAUCA-UHSQPCAPSA-N 1 1 502.611 5.099 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245329980 572236086 /nfs/dbraw/zinc/23/60/86/572236086.db2.gz WARVGSLSCXFBEQ-AHKZPQOWSA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245329980 572236088 /nfs/dbraw/zinc/23/60/88/572236088.db2.gz WARVGSLSCXFBEQ-AHKZPQOWSA-N 1 1 525.665 5.525 50 0 KKAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245330409 572236499 /nfs/dbraw/zinc/23/64/99/572236499.db2.gz YGVLIVLQCUTCGO-ONOMSOESSA-N 1 1 519.686 5.160 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000245343379 572238462 /nfs/dbraw/zinc/23/84/62/572238462.db2.gz NDXPHCQJFPTDEB-WUIMFCPGSA-N 1 1 527.734 5.257 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245343403 572238665 /nfs/dbraw/zinc/23/86/65/572238665.db2.gz NYUDNNDZEZYLFM-DNOBIOAJSA-N 1 1 560.522 5.905 50 0 KKAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247481990 572242377 /nfs/dbraw/zinc/24/23/77/572242377.db2.gz JJTFHGQBRPEFSK-JOCHJYFZSA-N 1 1 517.471 5.359 50 0 KKAAMO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247489591 572242424 /nfs/dbraw/zinc/24/24/24/572242424.db2.gz LXDOBCPACMYBJP-JOCHJYFZSA-N 1 1 507.465 5.920 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247486617 572242636 /nfs/dbraw/zinc/24/26/36/572242636.db2.gz KWUTZZLNNAQSNJ-UHFFFAOYSA-N 1 1 582.340 6.079 50 0 KKAAMO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247504645 572242807 /nfs/dbraw/zinc/24/28/07/572242807.db2.gz RDXQSARHZNOSNV-KRWDZBQOSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1 ZINC000247521095 572242880 /nfs/dbraw/zinc/24/28/80/572242880.db2.gz XJAXTKHHAOUVRO-FQEVSTJZSA-N 1 1 521.434 5.456 50 0 KKAAMO O=C(NCc1ccccc1Cl)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247508410 572242902 /nfs/dbraw/zinc/24/29/02/572242902.db2.gz SGCNQBWDCLHAQI-UHFFFAOYSA-N 1 1 507.465 5.920 50 0 KKAAMO O=C(Nc1ccccc1F)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247721333 572243755 /nfs/dbraw/zinc/24/37/55/572243755.db2.gz AONHYCHFVMDJAD-GOSISDBHSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1ccccc1F)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247721333 572243758 /nfs/dbraw/zinc/24/37/58/572243758.db2.gz AONHYCHFVMDJAD-GOSISDBHSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247724453 572243817 /nfs/dbraw/zinc/24/38/17/572243817.db2.gz CLAPLSPAZMDKPW-UHFFFAOYSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247726615 572243847 /nfs/dbraw/zinc/24/38/47/572243847.db2.gz DRLIOSCWJRJHGA-VWLOTQADSA-N 1 1 595.541 7.218 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247734154 572244048 /nfs/dbraw/zinc/24/40/48/572244048.db2.gz JRWHFSAXCAYLPH-GOSISDBHSA-N 1 1 557.414 6.658 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247739851 572244148 /nfs/dbraw/zinc/24/41/48/572244148.db2.gz NFRRAOIOKKXVDM-SFHVURJKSA-N 1 1 568.313 6.401 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247735174 572244190 /nfs/dbraw/zinc/24/41/90/572244190.db2.gz KJKBQEVKBUYCOR-HXUWFJFHSA-N 1 1 526.990 6.608 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247735174 572244192 /nfs/dbraw/zinc/24/41/92/572244192.db2.gz KJKBQEVKBUYCOR-HXUWFJFHSA-N 1 1 526.990 6.608 50 0 KKAAMO O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247737803 572244209 /nfs/dbraw/zinc/24/42/09/572244209.db2.gz LVJJGECIKPXQRE-GOSISDBHSA-N 1 1 557.414 6.658 50 0 KKAAMO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754747 572244624 /nfs/dbraw/zinc/24/46/24/572244624.db2.gz WNICLMRSUCSYHR-QGZVFWFLSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247758773 572244723 /nfs/dbraw/zinc/24/47/23/572244723.db2.gz ZCPQVKWUKDDWQR-GOSISDBHSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1 ZINC000247759423 572244773 /nfs/dbraw/zinc/24/47/73/572244773.db2.gz ZNUYXEKCEYUQAJ-UHFFFAOYSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247847212 572246329 /nfs/dbraw/zinc/24/63/29/572246329.db2.gz HKVKIARSJWROSW-QHCPKHFHSA-N 1 1 580.535 6.091 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247855212 572246614 /nfs/dbraw/zinc/24/66/14/572246614.db2.gz KHCSHGDECUVHHY-UHFFFAOYSA-N 1 1 594.504 5.627 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247867310 572246751 /nfs/dbraw/zinc/24/67/51/572246751.db2.gz BHPQXGWUAADBSP-RUZDIDTESA-N 1 1 591.678 5.673 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4cccc5ccccc54)C3)nc3ccccc32)cc1 ZINC000247867240 572246797 /nfs/dbraw/zinc/24/67/97/572246797.db2.gz BGERCDNRNGNUHN-RUZDIDTESA-N 1 1 504.634 6.097 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247866022 572246898 /nfs/dbraw/zinc/24/68/98/572246898.db2.gz OSGFULSPLJUJNM-UHFFFAOYSA-N 1 1 592.969 6.002 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4cccc5ccccc54)C3)nc3ccccc32)cc1 ZINC000247867246 572246922 /nfs/dbraw/zinc/24/69/22/572246922.db2.gz BGERCDNRNGNUHN-VWLOTQADSA-N 1 1 504.634 6.097 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247872362 572247091 /nfs/dbraw/zinc/24/70/91/572247091.db2.gz RGEYGPOZSCKTBZ-UHFFFAOYSA-N 1 1 550.053 5.518 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247869307 572247125 /nfs/dbraw/zinc/24/71/25/572247125.db2.gz QCZVVRHAUQNQQT-PMERELPUSA-N 1 1 587.743 6.310 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2)CC1 ZINC000247874649 572247482 /nfs/dbraw/zinc/24/74/82/572247482.db2.gz SOKPWDCDBFMGSM-HSZRJFAPSA-N 1 1 558.524 5.349 50 0 KKAAMO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247875872 572247565 /nfs/dbraw/zinc/24/75/65/572247565.db2.gz NWHZGQIHQJPDQE-OAQYLSRUSA-N 1 1 655.424 6.291 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247877050 572247753 /nfs/dbraw/zinc/24/77/53/572247753.db2.gz UKNDYFJDGAXMEF-QFIPXVFZSA-N 1 1 532.063 5.379 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247881309 572247793 /nfs/dbraw/zinc/24/77/93/572247793.db2.gz VSALLOTZMOVXMY-RUZDIDTESA-N 1 1 528.100 5.299 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)nc3ccccc32)cc1 ZINC000247886696 572248268 /nfs/dbraw/zinc/24/82/68/572248268.db2.gz LHBXWXNLSYGSSD-OAQYLSRUSA-N 1 1 522.571 5.963 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)C3)nc3ccccc32)cc1 ZINC000247886696 572248269 /nfs/dbraw/zinc/24/82/69/572248269.db2.gz LHBXWXNLSYGSSD-OAQYLSRUSA-N 1 1 522.571 5.963 50 0 KKAAMO Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247885023 572248388 /nfs/dbraw/zinc/24/83/88/572248388.db2.gz SRUNXSHMUHYJHG-RUZDIDTESA-N 1 1 586.578 5.966 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4ccc(OCc5ccccc5)cc4)CC3)nc3ccccc32)cc1 ZINC000247890913 572248713 /nfs/dbraw/zinc/24/87/13/572248713.db2.gz MTFJPKHMGFEIPY-UHFFFAOYSA-N 1 1 560.698 6.523 50 0 KKAAMO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247919880 572249459 /nfs/dbraw/zinc/24/94/59/572249459.db2.gz XGXPKAGJUKAIKQ-OAQYLSRUSA-N 1 1 533.470 5.325 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(C(=O)c5ccc(Cl)cc5Cl)CC4)CC3)nc3ccccc32)cc1 ZINC000247916576 572249470 /nfs/dbraw/zinc/24/94/70/572249470.db2.gz WEPVKVFHJZZFFW-UHFFFAOYSA-N 1 1 620.581 5.597 50 0 KKAAMO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000247921724 572249613 /nfs/dbraw/zinc/24/96/13/572249613.db2.gz YBRKITHYQRTRLJ-OAQYLSRUSA-N 1 1 533.470 5.325 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)NCc4ccc(Br)cc4)C3)nc3ccccc32)cc1 ZINC000247924261 572249676 /nfs/dbraw/zinc/24/96/76/572249676.db2.gz YVANHRDAMSFUEQ-QHCPKHFHSA-N 1 1 547.497 5.384 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000248033270 572252856 /nfs/dbraw/zinc/25/28/56/572252856.db2.gz YHAJZGRGDPSNIC-HXUWFJFHSA-N 1 1 514.501 5.485 50 0 KKAAMO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCC[N@H+]5CCCC[C@H]5C)CC4)ccc3o2)cc1 ZINC000248089785 572253412 /nfs/dbraw/zinc/25/34/12/572253412.db2.gz MHDRXGOVDKXBQJ-PKTZIBPZSA-N 1 1 516.686 5.282 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)c1 ZINC000248099518 572253560 /nfs/dbraw/zinc/25/35/60/572253560.db2.gz JGUTWLIUNFWGBY-UHFFFAOYSA-N 1 1 511.645 5.034 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000248118024 572254130 /nfs/dbraw/zinc/25/41/30/572254130.db2.gz QLNSDPDISZWENL-DEOSSOPVSA-N 1 1 511.645 5.034 50 0 KKAAMO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248117842 572254151 /nfs/dbraw/zinc/25/41/51/572254151.db2.gz CAWYTZWQSARKTQ-HSZRJFAPSA-N 1 1 588.550 5.357 50 0 KKAAMO COc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000248124673 572254441 /nfs/dbraw/zinc/25/44/41/572254441.db2.gz HBNCXBWIWBXCLK-QHCPKHFHSA-N 1 1 588.550 5.357 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000248126174 572254497 /nfs/dbraw/zinc/25/44/97/572254497.db2.gz UWHGQZGOXKYVSK-XMMPIXPASA-N 1 1 511.645 5.034 50 0 KKAAMO COc1ccccc1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000248136704 572254921 /nfs/dbraw/zinc/25/49/21/572254921.db2.gz OMXMXHJJBJJBCC-UHFFFAOYSA-N 1 1 519.443 5.647 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)cc1C ZINC000248145958 572255422 /nfs/dbraw/zinc/25/54/22/572255422.db2.gz HRZYYLPVTAGFLF-UHFFFAOYSA-N 1 1 525.672 5.342 50 0 KKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3OC)C[C@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000248154736 572255753 /nfs/dbraw/zinc/25/57/53/572255753.db2.gz YGUOXEUPVQIVIQ-IGYGKHONSA-N 1 1 512.694 6.138 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1C ZINC000248152948 572255808 /nfs/dbraw/zinc/25/58/08/572255808.db2.gz KNFYZLOWBBUDMA-VWLOTQADSA-N 1 1 525.672 5.342 50 0 KKAAMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000248156198 572255961 /nfs/dbraw/zinc/25/59/61/572255961.db2.gz IOJSFOKYYCHIOW-RVFYRNJKSA-N 1 1 656.864 7.531 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1C ZINC000248156930 572256011 /nfs/dbraw/zinc/25/60/11/572256011.db2.gz MGTGKZIWABVXDJ-BKKFENPESA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1C ZINC000248156930 572256012 /nfs/dbraw/zinc/25/60/12/572256012.db2.gz MGTGKZIWABVXDJ-BKKFENPESA-N 1 1 531.534 5.476 50 0 KKAAMO COc1cc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000248250205 572257184 /nfs/dbraw/zinc/25/71/84/572257184.db2.gz IPGGCZWBQGQORS-WPDIDDKXSA-N 1 1 566.654 5.426 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248264798 572257535 /nfs/dbraw/zinc/25/75/35/572257535.db2.gz XKMMYWSSKCSTQC-NVQXNPDNSA-N 1 1 518.620 6.920 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248271389 572257637 /nfs/dbraw/zinc/25/76/37/572257637.db2.gz ZPDPGUJIQJJTSK-BVAGGSTKSA-N 1 1 500.630 6.781 50 0 KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248342419 572258527 /nfs/dbraw/zinc/25/85/27/572258527.db2.gz YEKWPWNFSXDCDC-VKQIWUTNSA-N 1 1 556.062 5.450 50 0 KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248342419 572258528 /nfs/dbraw/zinc/25/85/28/572258528.db2.gz YEKWPWNFSXDCDC-VKQIWUTNSA-N 1 1 556.062 5.450 50 0 KKAAMO CCc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000251923436 572259553 /nfs/dbraw/zinc/25/95/53/572259553.db2.gz BQIOMTNMJQCPGM-OAQYLSRUSA-N 1 1 517.471 6.201 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)CC3)CC2)cc1 ZINC000251982909 572259623 /nfs/dbraw/zinc/25/96/23/572259623.db2.gz GIVJWPCTLHELOA-UHFFFAOYSA-N 1 1 586.578 5.911 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000251999719 572259641 /nfs/dbraw/zinc/25/96/41/572259641.db2.gz MAESCUSNYDMNOD-RUZDIDTESA-N 1 1 525.672 5.288 50 0 KKAAMO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000252077948 572259900 /nfs/dbraw/zinc/25/99/00/572259900.db2.gz DOKFVNFLZLCPAG-UHFFFAOYSA-N 1 1 531.498 6.762 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccc(C(C)C)cc5)CC4)CC3)nc3ccccc32)cc1 ZINC000252331378 572260022 /nfs/dbraw/zinc/26/00/22/572260022.db2.gz UMFXYJHRHPAJPW-UHFFFAOYSA-N 1 1 565.762 5.777 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000252257110 572260044 /nfs/dbraw/zinc/26/00/44/572260044.db2.gz MXTDDQFIHPJAEE-SANMLTNESA-N 1 1 539.699 5.678 50 0 KKAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)Cc1ccccc1 ZINC000252586664 572265630 /nfs/dbraw/zinc/26/56/30/572265630.db2.gz RQLLBFHXZIPOAD-QCKGDGSFSA-N 1 1 633.233 5.282 50 0 KKAAMO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCCCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000253414822 572289074 /nfs/dbraw/zinc/28/90/74/572289074.db2.gz YSHZWGBIDMJDRG-YSGOPFFRSA-N 1 1 588.749 5.102 50 0 KKAAMO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000253479655 572289985 /nfs/dbraw/zinc/28/99/85/572289985.db2.gz RQUMINIXJUZQHT-OAQYLSRUSA-N 1 1 517.471 6.256 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]14C)[N@H+](C)CC3)OCO2 ZINC000253499445 572293473 /nfs/dbraw/zinc/29/34/73/572293473.db2.gz HFVXXBWONQVENR-DIUAJXOGSA-N 1 1 535.725 5.852 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@H]5CC[C@]14C)[N@@H+](C)CC3)OCO2 ZINC000253499445 572293474 /nfs/dbraw/zinc/29/34/74/572293474.db2.gz HFVXXBWONQVENR-DIUAJXOGSA-N 1 1 535.725 5.852 50 0 KKAAMO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)cc1 ZINC000253607455 572300935 /nfs/dbraw/zinc/30/09/35/572300935.db2.gz UICKKUMWYUUGHE-UHFFFAOYSA-N 1 1 531.498 6.762 50 0 KKAAMO CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@@H](c4ccc(OC)cc4)O[C@@H]32)[N@@H+](C)C1 ZINC000257359383 572322147 /nfs/dbraw/zinc/32/21/47/572322147.db2.gz ZXIDTTGVCKUJNE-PXWDYGGNSA-N 1 1 767.001 6.929 50 0 KKAAMO COc1cc2[nH+]c(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)c3csc(C)n3)cc2c(OC)c1OC ZINC000101751910 1069819316 /nfs/dbraw/zinc/81/93/16/1069819316.db2.gz DOGWDKHEGUMZNM-UHFFFAOYSA-N 1 1 538.645 5.116 50 0 KKAAMO COc1ccc([C@@](O)([C@@H](CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000524734252 1069837928 /nfs/dbraw/zinc/83/79/28/1069837928.db2.gz NCHYNYKOJPQQIY-SLPFEWDZSA-N 1 1 609.254 8.308 50 0 KKAAMO COc1ccc([C@@](O)([C@H](CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000524734253 1069837537 /nfs/dbraw/zinc/83/75/37/1069837537.db2.gz NCHYNYKOJPQQIY-XCEDALPCSA-N 1 1 609.254 8.308 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccccc3C(F)(F)F)C2)c1)Cc1ccc2ncccc2c1 ZINC000102410426 1069857069 /nfs/dbraw/zinc/85/70/69/1069857069.db2.gz XUKSNNQMMSTVND-VWLOTQADSA-N 1 1 547.621 6.817 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000102370196 1070962175 /nfs/dbraw/zinc/96/21/75/1070962175.db2.gz RLTCJDAEMNMABT-WWYHPTGPSA-N 1 1 568.673 6.764 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000102370196 1070962183 /nfs/dbraw/zinc/96/21/83/1070962183.db2.gz RLTCJDAEMNMABT-WWYHPTGPSA-N 1 1 568.673 6.764 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(OC(C)C)cc3)[C@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000102370196 1070962193 /nfs/dbraw/zinc/96/21/93/1070962193.db2.gz RLTCJDAEMNMABT-WWYHPTGPSA-N 1 1 568.673 6.764 50 0 KKAAMO COc1ccc(OC)c(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000299776790 1071048801 /nfs/dbraw/zinc/04/88/01/1071048801.db2.gz HGBVXCBZGPOXEY-OAQYLSRUSA-N 1 1 536.694 5.496 50 0 KKAAMO CCCC[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000888088490 1071055795 /nfs/dbraw/zinc/05/57/95/1071055795.db2.gz BXGUDOIYUCZSJM-PEAQOHSKSA-N 1 1 648.845 5.214 50 0 KKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000199294578 1071136241 /nfs/dbraw/zinc/13/62/41/1071136241.db2.gz GQHQEIRYOITZME-LOSJGSFVSA-N 1 1 534.635 5.853 50 0 KKAAMO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@@H+](C)C4)c2)OCCN(Cc2nc4ccccc4n2C)C3)s1 ZINC000011784916 1071231386 /nfs/dbraw/zinc/23/13/86/1071231386.db2.gz ZBEDQHAAJJEJSQ-JOCHJYFZSA-N 1 1 516.711 5.725 50 0 KKAAMO Cc1nc(CC(=O)N2CCOc3c(cc(-c4cccc(Cl)c4)cc3OC[C@H]3CCC[N@H+](C)C3)C2)cs1 ZINC000014955271 1071245208 /nfs/dbraw/zinc/24/52/08/1071245208.db2.gz PDYWSKWKGZMOMX-FQEVSTJZSA-N 1 1 526.102 5.456 50 0 KKAAMO C[N@@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3ccc(-c4cccc(F)c4)cc3)CC2)c1 ZINC000014951120 1071245277 /nfs/dbraw/zinc/24/52/77/1071245277.db2.gz ZZJKJGRMRDMFCE-UHFFFAOYSA-N 1 1 514.666 6.870 50 0 KKAAMO CCOc1ccccc1-n1c(=O)c(=Cc2ccc(C(F)(F)F)cc2)sc1=C(C#N)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000254404679 1072853889 /nfs/dbraw/zinc/85/38/89/1072853889.db2.gz WROZVVWZQDBGPE-UHFFFAOYSA-N 1 1 694.779 5.753 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2ccccc2F)c(=O)n1-c1ccccc1C(F)(F)F ZINC000254517013 1072861756 /nfs/dbraw/zinc/86/17/56/1072861756.db2.gz FKASRUBWIMCQRU-UHFFFAOYSA-N 1 1 668.716 5.494 50 0 KKAAMO CCCC[NH+](CCCC)CN1C(=O)C(=NNC(=O)CON=Cc2ccccc2Cl)c2cc(Br)ccc21 ZINC000254733893 1072873518 /nfs/dbraw/zinc/87/35/18/1072873518.db2.gz LPCKYQFGUBOTPY-UHFFFAOYSA-N 1 1 576.923 5.180 50 0 KKAAMO COc1cccc(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000014977707 1072894300 /nfs/dbraw/zinc/89/43/00/1072894300.db2.gz IPUXYZHUKIELJR-NRFANRHFSA-N 1 1 506.668 5.488 50 0 KKAAMO COc1ccc(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC000014998282 1072895949 /nfs/dbraw/zinc/89/59/49/1072895949.db2.gz KGQBZFZVCAXQKP-NRFANRHFSA-N 1 1 506.668 5.488 50 0 KKAAMO O=C(Cc1ccc(F)cc1)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000055224876 1072899954 /nfs/dbraw/zinc/89/99/54/1072899954.db2.gz HEJDHDNIUCVIRY-SANMLTNESA-N 1 1 519.636 5.147 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(OC)cc2OC)cc1 ZINC000000633793 551505617 /nfs/dbraw/zinc/50/56/17/551505617.db2.gz UBDFFVMQEBPOEG-UIOOFZCWSA-N 1 1 502.958 5.170 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1 ZINC000000651436 551512819 /nfs/dbraw/zinc/51/28/19/551512819.db2.gz QIYUTQGYMREQLX-FTJBHMTQSA-N 1 1 502.958 5.170 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000001872393 551720110 /nfs/dbraw/zinc/72/01/10/551720110.db2.gz TTYUTXFHYKSJDK-JGCGQSQUSA-N 1 1 569.688 7.961 50 0 KKAAMO COc1ccc(Br)cc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(C)cc1)N1NC=NC1=[NH+]2 ZINC000002253644 551802124 /nfs/dbraw/zinc/80/21/24/551802124.db2.gz SOMGNFARYUPMGU-JWQCQUIFSA-N 1 1 501.384 5.570 50 0 KKAAMO COc1ccc(Br)cc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(C)cc1)N1NC=NC1=[NH+]2 ZINC000002253643 551802164 /nfs/dbraw/zinc/80/21/64/551802164.db2.gz SOMGNFARYUPMGU-LOSJGSFVSA-N 1 1 501.384 5.570 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000002360877 552102498 /nfs/dbraw/zinc/10/24/98/552102498.db2.gz QVJLCZKAJUYIHF-AREMUKBSSA-N 1 1 513.619 5.361 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000002360877 552102500 /nfs/dbraw/zinc/10/25/00/552102500.db2.gz QVJLCZKAJUYIHF-AREMUKBSSA-N 1 1 513.619 5.361 50 0 KKAAMO Cc1ccc(C)c(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)CC2)c1 ZINC000002714540 552161191 /nfs/dbraw/zinc/16/11/91/552161191.db2.gz CHTALCFJYRHABV-UHFFFAOYSA-N 1 1 538.493 6.793 50 0 KKAAMO COc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1OC ZINC000002714532 552161213 /nfs/dbraw/zinc/16/12/13/552161213.db2.gz HUYVXMVHXYAPML-UHFFFAOYSA-N 1 1 529.438 6.522 50 0 KKAAMO Fc1ccccc1N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC1 ZINC000002714554 552161227 /nfs/dbraw/zinc/16/12/27/552161227.db2.gz GQMVBNIMIFHUSH-UHFFFAOYSA-N 1 1 528.429 6.316 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3)[C@H](C)C2)cc1 ZINC000002715183 552161464 /nfs/dbraw/zinc/16/14/64/552161464.db2.gz VRMZKCVVLMCKKI-XMMPIXPASA-N 1 1 503.650 6.510 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccc(C)cc3)[C@H](C)C2)cc1 ZINC000002715266 552161475 /nfs/dbraw/zinc/16/14/75/552161475.db2.gz KUMHEKZSAHTLNT-XMMPIXPASA-N 1 1 503.650 6.510 50 0 KKAAMO Clc1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1 ZINC000002714588 552161492 /nfs/dbraw/zinc/16/14/92/552161492.db2.gz NXPRITAMAKKUJL-UHFFFAOYSA-N 1 1 503.831 7.158 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000002916743 552217483 /nfs/dbraw/zinc/21/74/83/552217483.db2.gz QXOZBEWPFLTWJR-DQEYMECFSA-N 1 1 517.383 5.271 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000002924013 552222384 /nfs/dbraw/zinc/22/23/84/552222384.db2.gz JXXFNIMAYIOZLT-IETCDDJASA-N 1 1 539.075 7.027 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000002924013 552222385 /nfs/dbraw/zinc/22/23/85/552222385.db2.gz JXXFNIMAYIOZLT-IETCDDJASA-N 1 1 539.075 7.027 50 0 KKAAMO Cc1ccc(CN2c3cc(C(=O)NCCC[N@@H+](Cc4ccccc4)C(C)C)ccc3Sc3ccccc3C2=O)cc1 ZINC000003040393 552272809 /nfs/dbraw/zinc/27/28/09/552272809.db2.gz AUPYSTCBHLLOIY-UHFFFAOYSA-N 1 1 563.767 7.337 50 0 KKAAMO O=C(c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000003059737 552281830 /nfs/dbraw/zinc/28/18/30/552281830.db2.gz LBJHQDQVNBMOMK-JDCMOKTRSA-N 1 1 564.085 6.265 50 0 KKAAMO COc1ccc(C[C@@H]2c3cc(OCc4ccccc4)c(OC)cc3CC[N@@H+]2C)cc1OCc1ccccc1 ZINC000003124418 552291333 /nfs/dbraw/zinc/29/13/33/552291333.db2.gz KPLQJTFFMWUSLS-GDLZYMKVSA-N 1 1 509.646 6.634 50 0 KKAAMO COc1ccc(Cc2nn3c(C(=S)NCCC[NH+]4CCOCC4)c(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1 ZINC000003227206 552313673 /nfs/dbraw/zinc/31/36/73/552313673.db2.gz UFTKGCGLXGJRMS-UHFFFAOYSA-N 1 1 578.182 5.379 50 0 KKAAMO CCOC(=O)c1c(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)sc(Br)c1-c1ccccc1 ZINC000003345186 552364462 /nfs/dbraw/zinc/36/44/62/552364462.db2.gz FXHLKAMPYZKNEL-UHFFFAOYSA-N 1 1 549.490 6.672 50 0 KKAAMO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+](C)C4CCCCC4)cc3)C2=O)cc1 ZINC000003586795 552391722 /nfs/dbraw/zinc/39/17/22/552391722.db2.gz BPIDFJNANGMVGZ-AWSUPERCSA-N 1 1 537.704 6.346 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(F)cc4)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000004481329 552461917 /nfs/dbraw/zinc/46/19/17/552461917.db2.gz UIPGYHGLNQKDCY-GHMVGRGESA-N 1 1 534.487 7.874 50 0 KKAAMO O=C(C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004552061 552466443 /nfs/dbraw/zinc/46/64/43/552466443.db2.gz ODMIHAAFXWJATD-UHFFFAOYSA-N 1 1 558.725 7.676 50 0 KKAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000006146776 552548593 /nfs/dbraw/zinc/54/85/93/552548593.db2.gz ABZPZZXSHCGVQI-RCZVLFRGSA-N 1 1 529.584 5.263 50 0 KKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000006146776 552548594 /nfs/dbraw/zinc/54/85/94/552548594.db2.gz ABZPZZXSHCGVQI-RCZVLFRGSA-N 1 1 529.584 5.263 50 0 KKAAMO CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc1 ZINC000006166921 552557771 /nfs/dbraw/zinc/55/77/71/552557771.db2.gz QSOFIYSUMHRLSX-UHFFFAOYSA-N 1 1 616.032 8.251 50 0 KKAAMO COc1ccccc1[C@H]1CC(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)=NN1C(=O)C[NH+]1CCCC1 ZINC000006283062 552578209 /nfs/dbraw/zinc/57/82/09/552578209.db2.gz ZPMIDVGQCHQZAA-AREMUKBSSA-N 1 1 541.051 5.631 50 0 KKAAMO OCC[N@H+](C/C=C1\c2ccccc2CSc2ccccc21)C/C=C1/c2ccccc2CSc2ccccc21 ZINC000008385593 552991101 /nfs/dbraw/zinc/99/11/01/552991101.db2.gz SSRKGACISNDXPM-QCOHSWCKSA-N 1 1 533.762 7.756 50 0 KKAAMO O[C@H](COc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000008438844 553035311 /nfs/dbraw/zinc/03/53/11/553035311.db2.gz JKHMWUIYMTVVNC-NRFANRHFSA-N 1 1 542.290 6.654 50 0 KKAAMO O=C1C2[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)[NH2+][C@H]2c1ccc(Cl)cc1 ZINC000008444462 553050272 /nfs/dbraw/zinc/05/02/72/553050272.db2.gz UMRURHBFKPCEAV-CSXACLAXSA-N 1 1 582.358 8.573 50 0 KKAAMO O=C(c1cc2nc(-c3ccc4c(c3)OCO4)cc(C(F)(F)F)n2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008444843 553052073 /nfs/dbraw/zinc/05/20/73/553052073.db2.gz SAURJTDGVVLPST-UHFFFAOYSA-N 1 1 585.586 5.691 50 0 KKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cc(C)ccc3C)CC2)C1 ZINC000008597809 553094037 /nfs/dbraw/zinc/09/40/37/553094037.db2.gz ZXPOFMKVXXTLDN-DEOSSOPVSA-N 1 1 507.078 5.481 50 0 KKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000008597820 553094104 /nfs/dbraw/zinc/09/41/04/553094104.db2.gz RMTPABMEPSZLAP-QFIPXVFZSA-N 1 1 527.496 5.826 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000008597814 553094119 /nfs/dbraw/zinc/09/41/19/553094119.db2.gz MAGIWMBDQXZCBT-DEOSSOPVSA-N 1 1 563.695 5.203 50 0 KKAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000008597886 553094328 /nfs/dbraw/zinc/09/43/28/553094328.db2.gz ZCRBWOCNAMRUDA-DEOSSOPVSA-N 1 1 507.078 5.481 50 0 KKAAMO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008711951 553126158 /nfs/dbraw/zinc/12/61/58/553126158.db2.gz FTRAAJXBEKTOQE-XNMGPUDCSA-N 1 1 614.499 7.398 50 0 KKAAMO O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722400 553129880 /nfs/dbraw/zinc/12/98/80/553129880.db2.gz HNBDYYWRONDUHF-XMMPIXPASA-N 1 1 510.446 6.727 50 0 KKAAMO O=C1N[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008722400 553129883 /nfs/dbraw/zinc/12/98/83/553129883.db2.gz HNBDYYWRONDUHF-XMMPIXPASA-N 1 1 510.446 6.727 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1 ZINC000008874907 553175103 /nfs/dbraw/zinc/17/51/03/553175103.db2.gz GOQGSBYMCZZXPN-MHZLTWQESA-N 1 1 525.630 5.388 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1 ZINC000008874907 553175104 /nfs/dbraw/zinc/17/51/04/553175104.db2.gz GOQGSBYMCZZXPN-MHZLTWQESA-N 1 1 525.630 5.388 50 0 KKAAMO O=C(c1ccccc1)[C@H]1C[N@@H+](C2CCCCC2)C(c2ccccc2)=C(CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000009272028 553231468 /nfs/dbraw/zinc/23/14/68/553231468.db2.gz DBGVNYDZFAVFHZ-LQJZCPKCSA-N 1 1 520.717 6.661 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433043 553262964 /nfs/dbraw/zinc/26/29/64/553262964.db2.gz UPJCCALPMBAUFV-VSGBNLITSA-N 1 1 503.712 5.713 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)[C@@H]1c1cccs1 ZINC000009433324 553263055 /nfs/dbraw/zinc/26/30/55/553263055.db2.gz JHWNGRAWSBQZHE-WDYNHAJCSA-N 1 1 517.739 6.102 50 0 KKAAMO C[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433507 553263337 /nfs/dbraw/zinc/26/33/37/553263337.db2.gz QEURWTABXZDXKQ-WUFINQPMSA-N 1 1 501.696 5.610 50 0 KKAAMO CC(C)c1ccc(Nc2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c3ccccc3n2)cc1 ZINC000009680877 553296786 /nfs/dbraw/zinc/29/67/86/553296786.db2.gz BYVXRENHTGAQKN-UHFFFAOYSA-N 1 1 525.672 6.183 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)c1)Cc1ccc2ncccc2c1 ZINC000012218541 553354507 /nfs/dbraw/zinc/35/45/07/553354507.db2.gz XPZYMZAUFCMFQV-VWLOTQADSA-N 1 1 523.633 5.527 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc4c(c3)OCO4)C2)c1)Cc1ccc2ncccc2c1 ZINC000012218540 553354529 /nfs/dbraw/zinc/35/45/29/553354529.db2.gz XPZYMZAUFCMFQV-RUZDIDTESA-N 1 1 523.633 5.527 50 0 KKAAMO C[C@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)NCc2cnc3ccccc3c2)C1 ZINC000012244721 553355069 /nfs/dbraw/zinc/35/50/69/553355069.db2.gz DGNHCIXCJZFXMA-QFIPXVFZSA-N 1 1 523.633 5.558 50 0 KKAAMO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccccc1 ZINC000012246624 553355144 /nfs/dbraw/zinc/35/51/44/553355144.db2.gz DJSLHQJACHZONN-BVAGGSTKSA-N 1 1 512.704 6.171 50 0 KKAAMO COc1ccc(NC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000012282332 553356261 /nfs/dbraw/zinc/35/62/61/553356261.db2.gz HETQYIZWOAJJHD-FQEVSTJZSA-N 1 1 502.611 5.649 50 0 KKAAMO O[C@H](COc1ccc(SC(F)(F)F)cc1)C[NH+]1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000012338939 553358505 /nfs/dbraw/zinc/35/85/05/553358505.db2.gz LZUXBLDZUBOING-HNNXBMFYSA-N 1 1 503.999 5.124 50 0 KKAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc2ccccc2c1 ZINC000012376174 553361222 /nfs/dbraw/zinc/36/12/22/553361222.db2.gz CBMIDXWBWFLPLG-VVFBEHOQSA-N 1 1 505.643 5.566 50 0 KKAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc2ccccc2c1 ZINC000012376174 553361224 /nfs/dbraw/zinc/36/12/24/553361224.db2.gz CBMIDXWBWFLPLG-VVFBEHOQSA-N 1 1 505.643 5.566 50 0 KKAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc2ccccc2c1 ZINC000012376173 553361279 /nfs/dbraw/zinc/36/12/79/553361279.db2.gz CBMIDXWBWFLPLG-OOWIMERYSA-N 1 1 505.643 5.566 50 0 KKAAMO O=C1CS[C@@]2(c3ccccc3N(C[N@H+]3CC[C@@H](c4ccccc4)C3)C2=O)N1c1ccc2ccccc2c1 ZINC000012376173 553361281 /nfs/dbraw/zinc/36/12/81/553361281.db2.gz CBMIDXWBWFLPLG-OOWIMERYSA-N 1 1 505.643 5.566 50 0 KKAAMO O=C(CN(c1nc2ccccc2s1)c1ccc(SC(F)F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000012548998 553392537 /nfs/dbraw/zinc/39/25/37/553392537.db2.gz JTABQDCUUCMKFV-UHFFFAOYSA-N 1 1 524.662 6.094 50 0 KKAAMO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000012561468 553394716 /nfs/dbraw/zinc/39/47/16/553394716.db2.gz UQMVDZLGERVFSQ-HSZRJFAPSA-N 1 1 505.873 5.936 50 0 KKAAMO COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000012617081 553402918 /nfs/dbraw/zinc/40/29/18/553402918.db2.gz CYHASLJEAYUTTD-FMIVXFBMSA-N 1 1 513.667 5.674 50 0 KKAAMO O=C(C[NH+]1CCCC1)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccco1 ZINC000012776229 553420796 /nfs/dbraw/zinc/42/07/96/553420796.db2.gz HJOGMCMVEBDMTC-HSZRJFAPSA-N 1 1 500.986 5.215 50 0 KKAAMO O=C(c1ccccc1)[C@@H]1C[N@@H+](C2CCCCC2)C(c2ccccc2)=C(CN2CCOCC2)[C@@H]1c1ccccc1 ZINC000013582047 553475801 /nfs/dbraw/zinc/47/58/01/553475801.db2.gz DBGVNYDZFAVFHZ-SAIUNTKASA-N 1 1 520.717 6.661 50 0 KKAAMO COc1ccc(-c2nc3ccc(C(=O)NCCC[N@H+]4CCC[C@H](C)C4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827604 553536968 /nfs/dbraw/zinc/53/69/68/553536968.db2.gz NKQZUGWFRCYMJF-QFIPXVFZSA-N 1 1 524.665 5.833 50 0 KKAAMO COc1ccc(-c2nc3ccc(C(=O)NCCC[N@H+]4CCCC[C@H]4C)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827611 553536993 /nfs/dbraw/zinc/53/69/93/553536993.db2.gz IOJPXLYZXYCIKF-JOCHJYFZSA-N 1 1 524.665 5.975 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2 ZINC000015942424 553543689 /nfs/dbraw/zinc/54/36/89/553543689.db2.gz QSDARQQTABAUDJ-IBGZPJMESA-N 1 1 504.071 5.502 50 0 KKAAMO O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015947366 553545304 /nfs/dbraw/zinc/54/53/04/553545304.db2.gz WQSUVSAQFPKSLU-XMMPIXPASA-N 1 1 510.446 7.302 50 0 KKAAMO O=C1N[C@@H](c2ccc(-c3cccc(Cl)c3Cl)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015947366 553545305 /nfs/dbraw/zinc/54/53/05/553545305.db2.gz WQSUVSAQFPKSLU-XMMPIXPASA-N 1 1 510.446 7.302 50 0 KKAAMO C[C@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](OC(=O)c6ccccc6)CC[C@]45C)[C@@H]3CC[C@H]1[C@]2(C)O ZINC000070672299 553601951 /nfs/dbraw/zinc/60/19/51/553601951.db2.gz AQGKXMYBXMXQKH-GGHXANPISA-N 1 1 533.753 5.751 50 0 biogenic KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cccc(CC)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070700500 553618499 /nfs/dbraw/zinc/61/84/99/553618499.db2.gz GLWRMFMMGBCTKK-MRPYTORDSA-N 1 1 535.644 5.052 50 0 biogenic KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000070704911 553624061 /nfs/dbraw/zinc/62/40/61/553624061.db2.gz ZGKAYFNNHKDJHQ-SHRQFBHGSA-N 1 1 562.851 5.117 50 0 biogenic KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000070704911 553624066 /nfs/dbraw/zinc/62/40/66/553624066.db2.gz ZGKAYFNNHKDJHQ-SHRQFBHGSA-N 1 1 562.851 5.117 50 0 biogenic KKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC[C@H](C(=O)NCCC[NH+](CC(C)C)CC(C)C)C1 ZINC000020240878 553626759 /nfs/dbraw/zinc/62/67/59/553626759.db2.gz RNEXYRUGYRDLQI-DEOSSOPVSA-N 1 1 503.131 5.636 50 0 KKAAMO Clc1ccc([C@@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3ncn4-c3ccc(Cl)cc3)CC2)cc1 ZINC000019926018 553633793 /nfs/dbraw/zinc/63/37/93/553633793.db2.gz UUSUGVQTNMEPAS-AREMUKBSSA-N 1 1 515.448 6.034 50 0 KKAAMO CC(C)(C)C(=O)NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020312956 553637583 /nfs/dbraw/zinc/63/75/83/553637583.db2.gz JDNQJBDDNWWAGA-UHFFFAOYSA-N 1 1 514.695 5.093 50 0 KKAAMO CSc1nc2c(sc3nc(C(C)C)c4c(c32)CC(C)(C)OC4)c(NCCC[NH+]2CCOCC2)n1 ZINC000020357534 553642566 /nfs/dbraw/zinc/64/25/66/553642566.db2.gz QRMBTBLNIGMYIP-UHFFFAOYSA-N 1 1 501.722 5.070 50 0 KKAAMO COc1cc2[nH]c3c(ncnc3N3CC[NH+]([C@H](c4ccccc4)c4ccc(Cl)cc4)CC3)c2cc1OC ZINC000020357496 553642603 /nfs/dbraw/zinc/64/26/03/553642603.db2.gz VNFLIKAMASYRKS-MUUNZHRXSA-N 1 1 514.029 5.693 50 0 KKAAMO CC[C@H](NC(=O)Nc1ccc(Br)c(C)c1)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020386559 553644149 /nfs/dbraw/zinc/64/41/49/553644149.db2.gz BWHDYMIKMBCTFH-FQEVSTJZSA-N 1 1 501.494 6.261 50 0 KKAAMO Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000020407636 553646066 /nfs/dbraw/zinc/64/60/66/553646066.db2.gz BOCGHZSBMFFITF-UHFFFAOYSA-N 1 1 525.696 7.374 50 0 KKAAMO O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2ncnc3scc(-c4ccccc4)c32)CC1 ZINC000020412753 553647138 /nfs/dbraw/zinc/64/71/38/553647138.db2.gz YCFFMXDTARBUKT-GOSISDBHSA-N 1 1 515.466 5.227 50 0 KKAAMO COc1ccc(C(=O)[C@@H](C[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000020036348 553667592 /nfs/dbraw/zinc/66/75/92/553667592.db2.gz UIAMBVTUVXCGFO-SVBPBHIXSA-N 1 1 506.687 5.364 50 0 KKAAMO CCOc1ccc(-c2cc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000020682272 553688260 /nfs/dbraw/zinc/68/82/60/553688260.db2.gz FKEUNPFFMDONJF-UHFFFAOYSA-N 1 1 508.666 5.238 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000020733725 553692936 /nfs/dbraw/zinc/69/29/36/553692936.db2.gz LFVVKASEIAJBHO-CLVVTTMOSA-N 1 1 530.068 5.911 50 0 KKAAMO Cc1cccc(CN2c3cc(C(=O)NCCC[NH+]4CCOCC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000020737829 553694584 /nfs/dbraw/zinc/69/45/84/553694584.db2.gz OGXXJQYMGVBQLS-BRPDVVIDSA-N 1 1 527.690 5.127 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116147 553697482 /nfs/dbraw/zinc/69/74/82/553697482.db2.gz QVFDTSQHELWKNC-RMVDRDQESA-N 1 1 507.763 5.680 50 0 KKAAMO Cc1ccc(C)c(Cn2c3ccccc3nc2N2CCC(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000021162572 553708737 /nfs/dbraw/zinc/70/87/37/553708737.db2.gz DLCTVRBZFJIDKH-RUZDIDTESA-N 1 1 501.719 5.299 50 0 KKAAMO Cc1ccccc1Cn1c2ccccc2nc1N1CCC(C(=O)NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000021162972 553708878 /nfs/dbraw/zinc/70/88/78/553708878.db2.gz XBHHJKGQMCNKRO-UHFFFAOYSA-N 1 1 521.709 5.174 50 0 KKAAMO COc1ccc(-c2cn3c(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)csc3n2)cc1 ZINC000021191931 553709212 /nfs/dbraw/zinc/70/92/12/553709212.db2.gz ZSHNIUHEUHNWMD-UHFFFAOYSA-N 1 1 508.647 5.619 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1 ZINC000021796547 553717048 /nfs/dbraw/zinc/71/70/48/553717048.db2.gz SGHPLAGGGBNTSH-UHFFFAOYSA-N 1 1 524.024 5.712 50 0 KKAAMO COc1ccccc1C(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000021796401 553717056 /nfs/dbraw/zinc/71/70/56/553717056.db2.gz WTZFLEXQKFNADH-UHFFFAOYSA-N 1 1 524.024 5.712 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3OC)CC2)cc1 ZINC000021796535 553717063 /nfs/dbraw/zinc/71/70/63/553717063.db2.gz WWPCHOJAYOFMRF-UHFFFAOYSA-N 1 1 519.605 5.067 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(OC)cc2)CC1 ZINC000096275358 553732265 /nfs/dbraw/zinc/73/22/65/553732265.db2.gz VMQLRQVZDPXUDI-LJAQVGFWSA-N 1 1 511.666 5.393 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(C)cc4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000096277323 553734034 /nfs/dbraw/zinc/73/40/34/553734034.db2.gz XPVHBOIJGDWIHU-UHFFFAOYSA-N 1 1 536.720 6.326 50 0 KKAAMO CCOc1ccc([C@@H](CC(=O)N2CC[NH+](CC)CC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096287581 553738835 /nfs/dbraw/zinc/73/88/35/553738835.db2.gz ORMNCVGTIYCCEU-GDLZYMKVSA-N 1 1 513.657 5.914 50 0 KKAAMO CCOc1ccc([C@H](CC(=O)N2CC[NH+](CC)CC2)c2cn(Cc3ccc(F)cc3)c3ccccc23)cc1 ZINC000096287580 553738847 /nfs/dbraw/zinc/73/88/47/553738847.db2.gz ORMNCVGTIYCCEU-LJAQVGFWSA-N 1 1 513.657 5.914 50 0 KKAAMO CC(C)CC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000096289541 553741721 /nfs/dbraw/zinc/74/17/21/553741721.db2.gz UVICEVGAUYNOOL-UHFFFAOYSA-N 1 1 520.599 6.377 50 0 KKAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3ccc(Cl)cc3)nc3ccc(-c4ccccc4Cl)cn32)CC1 ZINC000096290193 553743159 /nfs/dbraw/zinc/74/31/59/553743159.db2.gz DWDSMZQPXIRUTE-UHFFFAOYSA-N 1 1 507.465 6.072 50 0 KKAAMO CCCC(CCC)C(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022660112 553748763 /nfs/dbraw/zinc/74/87/63/553748763.db2.gz AWAZXQSZLZCTDO-UHFFFAOYSA-N 1 1 505.530 6.850 50 0 KKAAMO C[C@H](CC(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)CC(C)(C)C ZINC000022663756 553749161 /nfs/dbraw/zinc/74/91/61/553749161.db2.gz ZRGKHAXQDLBFPY-JOCHJYFZSA-N 1 1 519.557 7.096 50 0 KKAAMO O=C(OCCN1CC[NH+](CCN2CCC[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1)c1ccccc1Cl ZINC000022789177 553750230 /nfs/dbraw/zinc/75/02/30/553750230.db2.gz TYEPZANJRJRDRR-SANMLTNESA-N 1 1 554.081 5.825 50 0 KKAAMO O=C(OCCN1CC[NH+](CCN2CCC[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1)c1ccccc1Cl ZINC000022789171 553750270 /nfs/dbraw/zinc/75/02/70/553750270.db2.gz TYEPZANJRJRDRR-AREMUKBSSA-N 1 1 554.081 5.825 50 0 KKAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@H](c3cccs3)C2)c(OC)c1 ZINC000097105855 553758204 /nfs/dbraw/zinc/75/82/04/553758204.db2.gz APHUNIKOOLCDCV-SANMLTNESA-N 1 1 503.668 5.398 50 0 KKAAMO COc1ccc(C2=NN(C(=O)C[NH+]3CCC(Cc4ccccc4)CC3)[C@@H](c3cccs3)C2)c(OC)c1 ZINC000097105857 553758269 /nfs/dbraw/zinc/75/82/69/553758269.db2.gz APHUNIKOOLCDCV-AREMUKBSSA-N 1 1 503.668 5.398 50 0 KKAAMO CCOc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cc(C)ccc3n2)cc1 ZINC000097946101 553776640 /nfs/dbraw/zinc/77/66/40/553776640.db2.gz PZOQPOQKFBAYOA-UHFFFAOYSA-N 1 1 541.695 7.156 50 0 KKAAMO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097948479 553794208 /nfs/dbraw/zinc/79/42/08/553794208.db2.gz MVKYHZRKTJHZBJ-UHFFFAOYSA-N 1 1 574.146 5.465 50 0 KKAAMO O=C(c1nn2c(nc(-c3ccc(Br)cc3)cc2C(F)(F)F)c1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097949169 553799862 /nfs/dbraw/zinc/79/98/62/553799862.db2.gz GSZKJWBRIQDSOD-UHFFFAOYSA-N 1 1 654.918 7.378 50 0 KKAAMO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184656 553805743 /nfs/dbraw/zinc/80/57/43/553805743.db2.gz JGIYYOLCDWVHMV-IAPPQJPRSA-N 1 1 504.556 5.361 50 0 KKAAMO Cc1nc(SCc2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097956407 553838752 /nfs/dbraw/zinc/83/87/52/553838752.db2.gz XEVKKZCPKQYRIW-YMQVXYQWSA-N 1 1 577.798 6.712 50 0 KKAAMO COCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)N(C)Cc3ccccc3)o2)n1 ZINC000097956416 553838788 /nfs/dbraw/zinc/83/87/88/553838788.db2.gz QRLMZMXOEAUFGK-NTEUORMPSA-N 1 1 583.758 5.616 50 0 KKAAMO CCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)NCc3cccnc3)o2)n1 ZINC000097956427 553838823 /nfs/dbraw/zinc/83/88/23/553838823.db2.gz GFTHXPVXIOUTLT-YRNVUSSQSA-N 1 1 554.720 5.085 50 0 KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12C(=O)Nc1ccccc12 ZINC000097956566 553839843 /nfs/dbraw/zinc/83/98/43/553839843.db2.gz WPPQNQIKKSVHIQ-HSUBUAJGSA-N 1 1 548.042 5.816 50 0 KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12C(=O)Nc1ccccc12 ZINC000097956566 553839846 /nfs/dbraw/zinc/83/98/46/553839846.db2.gz WPPQNQIKKSVHIQ-HSUBUAJGSA-N 1 1 548.042 5.816 50 0 KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccccc12 ZINC000097956568 553839930 /nfs/dbraw/zinc/83/99/30/553839930.db2.gz WPPQNQIKKSVHIQ-XOEWJNCRSA-N 1 1 548.042 5.816 50 0 KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccccc12 ZINC000097956568 553839932 /nfs/dbraw/zinc/83/99/32/553839932.db2.gz WPPQNQIKKSVHIQ-XOEWJNCRSA-N 1 1 548.042 5.816 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[N@@H+](C)[C@@H]5C2)OCO4)CCN1C ZINC000030726863 553855541 /nfs/dbraw/zinc/85/55/41/553855541.db2.gz YVPXVXANRNDGTA-WDYNHAJCSA-N 1 1 606.719 6.874 50 0 aggregator,biogenic,world KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(cc4c(c3Oc3cc5c(cc3OC)CC[N@H+](C)[C@@H]5C2)OCO4)CCN1C ZINC000030726863 553855544 /nfs/dbraw/zinc/85/55/44/553855544.db2.gz YVPXVXANRNDGTA-WDYNHAJCSA-N 1 1 606.719 6.874 50 0 aggregator,biogenic,world KKAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000097963376 553889317 /nfs/dbraw/zinc/88/93/17/553889317.db2.gz XTNPTCYECQYVTN-UHFFFAOYSA-N 1 1 540.736 5.296 50 0 KKAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000097963376 553889318 /nfs/dbraw/zinc/88/93/18/553889318.db2.gz XTNPTCYECQYVTN-UHFFFAOYSA-N 1 1 540.736 5.296 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963434 553890104 /nfs/dbraw/zinc/89/01/04/553890104.db2.gz UBPVCQDCMZGWDY-SFTDATJTSA-N 1 1 608.855 6.710 50 0 KKAAMO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)cc1 ZINC000097963428 553890141 /nfs/dbraw/zinc/89/01/41/553890141.db2.gz LSZYBVNBUFABMJ-UHFFFAOYSA-N 1 1 596.844 6.854 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097963495 553891016 /nfs/dbraw/zinc/89/10/16/553891016.db2.gz KMLRKXWOTSHRIW-UHFFFAOYSA-N 1 1 630.817 5.856 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000097963495 553891019 /nfs/dbraw/zinc/89/10/19/553891019.db2.gz KMLRKXWOTSHRIW-UHFFFAOYSA-N 1 1 630.817 5.856 50 0 KKAAMO O=c1c2c(nc(SCc3ccc4c(c3)OCO4)n1-c1ccccc1)sc1c2CC[N@@H+](Cc2ccccc2)C1 ZINC000033355342 553934191 /nfs/dbraw/zinc/93/41/91/553934191.db2.gz FLYLELHAAMEQLU-UHFFFAOYSA-N 1 1 539.682 6.027 50 0 KKAAMO O=c1c2c(nc(SCc3ccc4c(c3)OCO4)n1-c1ccccc1)sc1c2CC[N@H+](Cc2ccccc2)C1 ZINC000033355342 553934195 /nfs/dbraw/zinc/93/41/95/553934195.db2.gz FLYLELHAAMEQLU-UHFFFAOYSA-N 1 1 539.682 6.027 50 0 KKAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000033356321 553940635 /nfs/dbraw/zinc/94/06/35/553940635.db2.gz QUKASTRSHZTBLA-UHFFFAOYSA-N 1 1 540.060 5.243 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O ZINC000033356423 553941422 /nfs/dbraw/zinc/94/14/22/553941422.db2.gz XSYHZZHEXBYQBY-SJARJILFSA-N 1 1 614.718 5.234 50 0 KKAAMO CSc1cccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)c1 ZINC000033357098 553946344 /nfs/dbraw/zinc/94/63/44/553946344.db2.gz AIQSOBWIXQIKFL-GDLZYMKVSA-N 1 1 622.260 5.601 50 0 KKAAMO Cc1ccc(Cn2cc([C@H](CC(=O)NCCC[NH+]3CCOCC3)c3cccc(C)c3)c3ccccc32)cc1 ZINC000033400908 553958737 /nfs/dbraw/zinc/95/87/37/553958737.db2.gz DMADQLUXQANZOD-SSEXGKCCSA-N 1 1 509.694 5.667 50 0 KKAAMO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CCC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000097977254 553975180 /nfs/dbraw/zinc/97/51/80/553975180.db2.gz XVXNJUKXGMYQSQ-SKCUWOTOSA-N 1 1 547.095 6.790 50 0 KKAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667484 553982041 /nfs/dbraw/zinc/98/20/41/553982041.db2.gz FAHMJBYDRACATA-UVDDSOTQSA-N 1 1 512.600 6.196 50 0 KKAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667484 553982045 /nfs/dbraw/zinc/98/20/45/553982045.db2.gz FAHMJBYDRACATA-UVDDSOTQSA-N 1 1 512.600 6.196 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671734 553982412 /nfs/dbraw/zinc/98/24/12/553982412.db2.gz NRPXGIXNMOUMOX-ROJLCIKYSA-N 1 1 505.662 6.012 50 0 KKAAMO Cc1ccc(N(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)S(=O)(=O)c2ccccc2C)cc1 ZINC000034683800 553986254 /nfs/dbraw/zinc/98/62/54/553986254.db2.gz BLIHYEOBVGAPND-UHFFFAOYSA-N 1 1 502.602 6.182 50 0 KKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3C)CC2)c(OC)c1OC ZINC000034683964 553986566 /nfs/dbraw/zinc/98/65/66/553986566.db2.gz XSLIZJALDXAJKA-UHFFFAOYSA-N 1 1 524.683 5.189 50 0 KKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3OC)C[C@@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000034699249 553992249 /nfs/dbraw/zinc/99/22/49/553992249.db2.gz YGUOXEUPVQIVIQ-BVRKHOPBSA-N 1 1 512.694 6.138 50 0 KKAAMO COc1ccc(C[N@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034699145 553992340 /nfs/dbraw/zinc/99/23/40/553992340.db2.gz DVJQUUTVKFKJNJ-UFHPHHKVSA-N 1 1 528.590 6.620 50 0 KKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3OC)C[C@@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000034699248 553992448 /nfs/dbraw/zinc/99/24/48/553992448.db2.gz YGUOXEUPVQIVIQ-VEEOACQBSA-N 1 1 512.694 6.138 50 0 KKAAMO Cc1cc([C@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716677 553995654 /nfs/dbraw/zinc/99/56/54/553995654.db2.gz VPGIDMQPCKRJFS-XZOQPEGZSA-N 1 1 518.982 6.728 50 0 KKAAMO Cc1cc([C@@H]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716676 553995688 /nfs/dbraw/zinc/99/56/88/553995688.db2.gz VPGIDMQPCKRJFS-DHIUTWEWSA-N 1 1 518.982 6.728 50 0 KKAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000034716588 553995719 /nfs/dbraw/zinc/99/57/19/553995719.db2.gz GLMDYCBUKYPIDM-YADHBBJMSA-N 1 1 504.955 6.420 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034787822 554005259 /nfs/dbraw/zinc/00/52/59/554005259.db2.gz GHOIPTCALDSURU-SSEXGKCCSA-N 1 1 531.722 5.168 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034787822 554005261 /nfs/dbraw/zinc/00/52/61/554005261.db2.gz GHOIPTCALDSURU-SSEXGKCCSA-N 1 1 531.722 5.168 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034787819 554005364 /nfs/dbraw/zinc/00/53/64/554005364.db2.gz GHOIPTCALDSURU-PMERELPUSA-N 1 1 531.722 5.168 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034787819 554005366 /nfs/dbraw/zinc/00/53/66/554005366.db2.gz GHOIPTCALDSURU-PMERELPUSA-N 1 1 531.722 5.168 50 0 KKAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034830125 554014548 /nfs/dbraw/zinc/01/45/48/554014548.db2.gz JPOOTSDVFNVPJE-MNNSJKJDSA-N 1 1 501.696 5.021 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034830301 554015267 /nfs/dbraw/zinc/01/52/67/554015267.db2.gz LYTUNMVFZHHQPS-FNZWTVRRSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830392 554015536 /nfs/dbraw/zinc/01/55/36/554015536.db2.gz MNYODBKMFQHKQZ-MUAVYFROSA-N 1 1 507.744 5.424 50 0 KKAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830411 554015595 /nfs/dbraw/zinc/01/55/95/554015595.db2.gz QDGPRDNTJMHSBT-QONNDPFASA-N 1 1 509.760 5.670 50 0 KKAAMO Cc1ccccc1C(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000034830401 554015655 /nfs/dbraw/zinc/01/56/55/554015655.db2.gz LUQQPNLBSSZAGB-FIPFOOKPSA-N 1 1 501.696 5.076 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccccc4)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000034850660 554021313 /nfs/dbraw/zinc/02/13/13/554021313.db2.gz SWRQOJMJJGLIMD-COHPBREESA-N 1 1 516.497 7.735 50 0 KKAAMO CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097986527 554024987 /nfs/dbraw/zinc/02/49/87/554024987.db2.gz PVTIOVJLFRPTOM-SANMLTNESA-N 1 1 656.899 7.789 50 0 KKAAMO CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097986527 554024990 /nfs/dbraw/zinc/02/49/90/554024990.db2.gz PVTIOVJLFRPTOM-SANMLTNESA-N 1 1 656.899 7.789 50 0 KKAAMO CCCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@H]1c1cccc(Cl)c1 ZINC000034927642 554032450 /nfs/dbraw/zinc/03/24/50/554032450.db2.gz CLGBAPZXVFQIEW-URLMMPGGSA-N 1 1 516.085 5.765 50 0 KKAAMO Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2ccc(Cl)c(Cl)c2)C[N@@H+](Cc2ccccc2)CC4)cc1 ZINC000097999484 554043439 /nfs/dbraw/zinc/04/34/39/554043439.db2.gz LICOXMJBSGYUAD-UHFFFAOYSA-N 1 1 578.590 7.913 50 0 KKAAMO Cc1ccc(-n2c(=O)c3c4c(sc3nc2SCc2ccc(Cl)c(Cl)c2)C[N@H+](Cc2ccccc2)CC4)cc1 ZINC000097999484 554043443 /nfs/dbraw/zinc/04/34/43/554043443.db2.gz LICOXMJBSGYUAD-UHFFFAOYSA-N 1 1 578.590 7.913 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(C)c2)CC[N@@H+](C)C4)cc1 ZINC000035427137 554050714 /nfs/dbraw/zinc/05/07/14/554050714.db2.gz NWFNYLIKMLABBD-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(C)c2)CC[N@H+](C)C4)cc1 ZINC000035427137 554050710 /nfs/dbraw/zinc/05/07/10/554050710.db2.gz NWFNYLIKMLABBD-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(F)c2)CC[N@@H+](C)C4)cc1 ZINC000035427196 554050976 /nfs/dbraw/zinc/05/09/76/554050976.db2.gz AGAHGYUNVNUEMA-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(F)c2)CC[N@H+](C)C4)cc1 ZINC000035427196 554050973 /nfs/dbraw/zinc/05/09/73/554050973.db2.gz AGAHGYUNVNUEMA-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427237 554051490 /nfs/dbraw/zinc/05/14/90/554051490.db2.gz RGWHPPZXFJMBGB-RUZDIDTESA-N 1 1 507.034 6.456 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427237 554051486 /nfs/dbraw/zinc/05/14/86/554051486.db2.gz RGWHPPZXFJMBGB-RUZDIDTESA-N 1 1 507.034 6.456 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427235 554051552 /nfs/dbraw/zinc/05/15/52/554051552.db2.gz RGWHPPZXFJMBGB-VWLOTQADSA-N 1 1 507.034 6.456 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427235 554051557 /nfs/dbraw/zinc/05/15/57/554051557.db2.gz RGWHPPZXFJMBGB-VWLOTQADSA-N 1 1 507.034 6.456 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(C)c2)CC[N@@H+](C)C4)c1 ZINC000035427299 554051995 /nfs/dbraw/zinc/05/19/95/554051995.db2.gz LQUULBBJPBUMOK-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(C)c2)CC[N@H+](C)C4)c1 ZINC000035427299 554051991 /nfs/dbraw/zinc/05/19/91/554051991.db2.gz LQUULBBJPBUMOK-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2F)CC[N@@H+](C)C4)c1 ZINC000035427334 554052018 /nfs/dbraw/zinc/05/20/18/554052018.db2.gz GJKNFVPBYSECKZ-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2F)CC[N@H+](C)C4)c1 ZINC000035427334 554052015 /nfs/dbraw/zinc/05/20/15/554052015.db2.gz GJKNFVPBYSECKZ-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2)CC[N@H+](C)C4)c1 ZINC000035427291 554052062 /nfs/dbraw/zinc/05/20/62/554052062.db2.gz BCSWWTUNUQBSTQ-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2)CC[N@@H+](C)C4)c1 ZINC000035427291 554052065 /nfs/dbraw/zinc/05/20/65/554052065.db2.gz BCSWWTUNUQBSTQ-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCC(C)C ZINC000035842586 554080933 /nfs/dbraw/zinc/08/09/33/554080933.db2.gz BEPRMVVJKLGBJD-GDLZYMKVSA-N 1 1 535.773 5.782 50 0 KKAAMO CC[C@H](O)C[N@@H+](CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842607 554081287 /nfs/dbraw/zinc/08/12/87/554081287.db2.gz MJACKRSEKSYCSY-MHZLTWQESA-N 1 1 507.719 5.146 50 0 KKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccccc1 ZINC000035842739 554081706 /nfs/dbraw/zinc/08/17/06/554081706.db2.gz LODBRYBDDRSALY-UHFFFAOYSA-N 1 1 509.738 7.195 50 0 KKAAMO O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871970 554086219 /nfs/dbraw/zinc/08/62/19/554086219.db2.gz PCRSEICAIJDUFM-AOYPEHQESA-N 1 1 515.526 5.163 50 0 KKAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cccc(C(F)(F)F)c3)c[nH]c21 ZINC000035889048 554089666 /nfs/dbraw/zinc/08/96/66/554089666.db2.gz OCIQZMHLWGZUNW-HHHXNRCGSA-N 1 1 519.611 6.616 50 0 KKAAMO O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908043 554092405 /nfs/dbraw/zinc/09/24/05/554092405.db2.gz LRNXZRZFTIELAZ-AOYPEHQESA-N 1 1 515.526 5.163 50 0 KKAAMO Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CC[NH+](Cc4cccc(Cl)c4)CC3)c12 ZINC000035924705 554097103 /nfs/dbraw/zinc/09/71/03/554097103.db2.gz MFFTVOQMUCVPIJ-UHFFFAOYSA-N 1 1 523.084 5.999 50 0 KKAAMO CC(C)c1cccc(Oc2cnn(-c3ccc(F)cc3)c(=O)c2Nc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1 ZINC000098015541 554100251 /nfs/dbraw/zinc/10/02/51/554100251.db2.gz HYDJTVYHDDYJIB-UHFFFAOYSA-N 1 1 541.627 5.419 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4cccc(C)c4)cnn(-c4ccccc4Cl)c3=O)c2)CC1 ZINC000098015645 554101285 /nfs/dbraw/zinc/10/12/85/554101285.db2.gz UYCAHQVNTGUEDF-UHFFFAOYSA-N 1 1 544.055 5.508 50 0 KKAAMO C[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccc5c(c4)OCO5)cnn(-c4ccc(Cl)c(Cl)c4)c3=O)c2)CC1 ZINC000098015701 554101520 /nfs/dbraw/zinc/10/15/20/554101520.db2.gz MPCWYFHCRJQMIR-UHFFFAOYSA-N 1 1 594.455 5.192 50 0 KKAAMO Cc1ccccc1C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(C)C ZINC000098020065 554116174 /nfs/dbraw/zinc/11/61/74/554116174.db2.gz ZSHWEVLDVGETDR-UHFFFAOYSA-N 1 1 536.547 7.513 50 0 KKAAMO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cccc(F)c1 ZINC000098020090 554116536 /nfs/dbraw/zinc/11/65/36/554116536.db2.gz CESBRZXUVLLPIU-UHFFFAOYSA-N 1 1 540.510 7.487 50 0 KKAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cccc(OC)c3)c[nH]c21 ZINC000098021382 554118444 /nfs/dbraw/zinc/11/84/44/554118444.db2.gz DVQWYXPBNIZNBA-MGBGTMOVSA-N 1 1 557.738 7.195 50 0 KKAAMO CC[C@@H](NC(=O)c1ccc(OC)cc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048282 554154073 /nfs/dbraw/zinc/15/40/73/554154073.db2.gz TVKFHZYFXNNXIB-GGXMVOPNSA-N 1 1 504.627 5.029 50 0 KKAAMO CC[C@@H](NC(=O)c1ccc(OC)cc1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048282 554154075 /nfs/dbraw/zinc/15/40/75/554154075.db2.gz TVKFHZYFXNNXIB-GGXMVOPNSA-N 1 1 504.627 5.029 50 0 KKAAMO O[C@@H](COc1cccc2ncccc21)CN1CC[NH+]([C@H]2c3ccccc3[C@H]3[C@@H](c4ccccc42)C3(F)F)CC1 ZINC000100029945 554184588 /nfs/dbraw/zinc/18/45/88/554184588.db2.gz IHOVFYSQUDPMCN-DBEBIPAYSA-N 1 1 527.615 5.211 50 0 investigational KKAAMO O[C@@H](COc1cccc2ncccc21)C[NH+]1CCN([C@H]2c3ccccc3[C@H]3[C@@H](c4ccccc42)C3(F)F)CC1 ZINC000100029945 554184590 /nfs/dbraw/zinc/18/45/90/554184590.db2.gz IHOVFYSQUDPMCN-DBEBIPAYSA-N 1 1 527.615 5.211 50 0 investigational KKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccccc1OC ZINC000036167834 554199997 /nfs/dbraw/zinc/19/99/97/554199997.db2.gz ASYXEMUFWJJCJT-UHFFFAOYSA-N 1 1 531.649 5.628 50 0 KKAAMO COCCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccccc1OC ZINC000036167834 554199994 /nfs/dbraw/zinc/19/99/94/554199994.db2.gz ASYXEMUFWJJCJT-UHFFFAOYSA-N 1 1 531.649 5.628 50 0 KKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036301743 554211687 /nfs/dbraw/zinc/21/16/87/554211687.db2.gz GVYXTFCBYNRAON-DEOSSOPVSA-N 1 1 500.083 6.260 50 0 KKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302340 554212306 /nfs/dbraw/zinc/21/23/06/554212306.db2.gz LLJVVLLXLBRCDB-AREMUKBSSA-N 1 1 515.654 5.880 50 0 KKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@H](O)COCc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302342 554212313 /nfs/dbraw/zinc/21/23/13/554212313.db2.gz BHTWEZKQXFIGPK-NDEPHWFRSA-N 1 1 529.681 6.017 50 0 KKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COc3ccccc3C)c(C)nn2-c2ccccc2)cc1 ZINC000036302372 554212441 /nfs/dbraw/zinc/21/24/41/554212441.db2.gz LKPBEQOOSPQNNS-HHHXNRCGSA-N 1 1 529.681 6.188 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036302840 554212764 /nfs/dbraw/zinc/21/27/64/554212764.db2.gz ZPLQYINEJRCKCA-MHZLTWQESA-N 1 1 511.666 6.051 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036302987 554212854 /nfs/dbraw/zinc/21/28/54/554212854.db2.gz SEKVNHIOSTWNSO-PXJZQJOASA-N 1 1 511.666 5.812 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)C[C@@H]1CCCO1 ZINC000036302987 554212857 /nfs/dbraw/zinc/21/28/57/554212857.db2.gz SEKVNHIOSTWNSO-PXJZQJOASA-N 1 1 511.666 5.812 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000036302996 554212950 /nfs/dbraw/zinc/21/29/50/554212950.db2.gz RWRGNGLGMPUZNP-AHKZPQOWSA-N 1 1 507.675 5.242 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000036302996 554212953 /nfs/dbraw/zinc/21/29/53/554212953.db2.gz RWRGNGLGMPUZNP-AHKZPQOWSA-N 1 1 507.675 5.242 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000036303553 554213437 /nfs/dbraw/zinc/21/34/37/554213437.db2.gz JHNPRHJCWGRMJY-ZEQRLZLVSA-N 1 1 528.093 5.783 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000036303553 554213434 /nfs/dbraw/zinc/21/34/34/554213434.db2.gz JHNPRHJCWGRMJY-ZEQRLZLVSA-N 1 1 528.093 5.783 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036303739 554213747 /nfs/dbraw/zinc/21/37/47/554213747.db2.gz IZUMVTOPXXJZLV-RUZDIDTESA-N 1 1 504.030 6.031 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036303739 554213744 /nfs/dbraw/zinc/21/37/44/554213744.db2.gz IZUMVTOPXXJZLV-RUZDIDTESA-N 1 1 504.030 6.031 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000036304214 554214210 /nfs/dbraw/zinc/21/42/10/554214210.db2.gz XHJGHSHGCGHWMA-DQEYMECFSA-N 1 1 529.628 5.266 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000036304214 554214216 /nfs/dbraw/zinc/21/42/16/554214216.db2.gz XHJGHSHGCGHWMA-DQEYMECFSA-N 1 1 529.628 5.266 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036304263 554214379 /nfs/dbraw/zinc/21/43/79/554214379.db2.gz KYAXCRBSMHULSO-AREMUKBSSA-N 1 1 503.593 6.067 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COCc1ccccc1)C(C)C ZINC000036304094 554214514 /nfs/dbraw/zinc/21/45/14/554214514.db2.gz XOIDUNNOQHHDQY-SANMLTNESA-N 1 1 521.608 6.039 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)COC(C)(C)C ZINC000036304969 554214947 /nfs/dbraw/zinc/21/49/47/554214947.db2.gz ISGQHFPSGRKVEV-OAQYLSRUSA-N 1 1 502.055 5.157 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COc3ccccc3C)c(-c3ccccc3)nn2C)c1 ZINC000036305282 554215240 /nfs/dbraw/zinc/21/52/40/554215240.db2.gz JTEGOQLYQMSDOM-AREMUKBSSA-N 1 1 529.681 6.094 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](Cc3ccco3)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305371 554215524 /nfs/dbraw/zinc/21/55/24/554215524.db2.gz YDXZDRQZOXENBG-DEOSSOPVSA-N 1 1 519.642 5.517 50 0 KKAAMO COc1cccc(Oc2c(C[N@H+](Cc3ccco3)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305371 554215528 /nfs/dbraw/zinc/21/55/28/554215528.db2.gz YDXZDRQZOXENBG-DEOSSOPVSA-N 1 1 519.642 5.517 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)COCc2ccco2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307285 554216332 /nfs/dbraw/zinc/21/63/32/554216332.db2.gz OAJPBJDNVYUPCY-XMMPIXPASA-N 1 1 505.590 5.401 50 0 KKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312984 554218777 /nfs/dbraw/zinc/21/87/77/554218777.db2.gz NKFABLUOSZMBHI-AREMUKBSSA-N 1 1 501.627 5.505 50 0 KKAAMO O[C@@H](COCc1ccccc1)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312984 554218778 /nfs/dbraw/zinc/21/87/78/554218778.db2.gz NKFABLUOSZMBHI-AREMUKBSSA-N 1 1 501.627 5.505 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036313690 554218852 /nfs/dbraw/zinc/21/88/52/554218852.db2.gz IEIMPELPBTVISD-DQEYMECFSA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@@H]1CCCO1 ZINC000036313690 554218848 /nfs/dbraw/zinc/21/88/48/554218848.db2.gz IEIMPELPBTVISD-DQEYMECFSA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036313655 554218997 /nfs/dbraw/zinc/21/89/97/554218997.db2.gz JZPBACIITUDIHE-RUZDIDTESA-N 1 1 500.083 6.262 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036316402 554219522 /nfs/dbraw/zinc/21/95/22/554219522.db2.gz FHMMZGBGLDAESH-VWLOTQADSA-N 1 1 513.638 5.640 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036316402 554219524 /nfs/dbraw/zinc/21/95/24/554219524.db2.gz FHMMZGBGLDAESH-VWLOTQADSA-N 1 1 513.638 5.640 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036316403 554219550 /nfs/dbraw/zinc/21/95/50/554219550.db2.gz FHMMZGBGLDAESH-RUZDIDTESA-N 1 1 513.638 5.640 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(OC)cc2)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036316403 554219553 /nfs/dbraw/zinc/21/95/53/554219553.db2.gz FHMMZGBGLDAESH-RUZDIDTESA-N 1 1 513.638 5.640 50 0 KKAAMO CCOc1ccc([C@@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344126 554222671 /nfs/dbraw/zinc/22/26/71/554222671.db2.gz GEHXUILUANMTDA-HKBQPEDESA-N 1 1 510.682 5.198 50 0 KKAAMO CCOc1ccc([C@H]2CC(c3ccc(C)cc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344127 554222709 /nfs/dbraw/zinc/22/27/09/554222709.db2.gz GEHXUILUANMTDA-WJOKGBTCSA-N 1 1 510.682 5.198 50 0 KKAAMO O=C(c1cccs1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000036628279 554228651 /nfs/dbraw/zinc/22/86/51/554228651.db2.gz OIFAJLSKNNNZGE-UHFFFAOYSA-N 1 1 500.027 5.765 50 0 KKAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2cccs2)nc2ccccc21)Nc1ccc(F)cc1 ZINC000037385016 554238917 /nfs/dbraw/zinc/23/89/17/554238917.db2.gz KBJOCDQJBWECLT-UHFFFAOYSA-N 1 1 519.646 5.055 50 0 KKAAMO Cc1ccc(-c2nnc(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)n2-c2ccc(F)cc2)cc1 ZINC000037398218 554240541 /nfs/dbraw/zinc/24/05/41/554240541.db2.gz AMCIUHYPXFOHMU-UHFFFAOYSA-N 1 1 501.631 5.062 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccc(C)cc4)n3-c3ccccc3OC)cc2)CC1 ZINC000037398802 554241078 /nfs/dbraw/zinc/24/10/78/554241078.db2.gz FRSHEDMTQUXSDW-UHFFFAOYSA-N 1 1 527.694 5.321 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2OC)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000053319274 554336821 /nfs/dbraw/zinc/33/68/21/554336821.db2.gz XUHPOARZOKUXJU-UHFFFAOYSA-N 1 1 555.725 6.315 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2OC)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000053319274 554336825 /nfs/dbraw/zinc/33/68/25/554336825.db2.gz XUHPOARZOKUXJU-UHFFFAOYSA-N 1 1 555.725 6.315 50 0 KKAAMO Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2cccc(C)c2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000053340355 554344255 /nfs/dbraw/zinc/34/42/55/554344255.db2.gz BMATYSVECCJABZ-UHFFFAOYSA-N 1 1 566.752 6.353 50 0 KKAAMO Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2cccc(C)c2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000053340355 554344257 /nfs/dbraw/zinc/34/42/57/554344257.db2.gz BMATYSVECCJABZ-UHFFFAOYSA-N 1 1 566.752 6.353 50 0 KKAAMO CCc1cc([C@@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054105796 554349069 /nfs/dbraw/zinc/34/90/69/554349069.db2.gz NFQSJQFJAZQABQ-GDLZYMKVSA-N 1 1 529.681 6.622 50 0 KKAAMO COc1cc(C[C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c(Oc2cc3c(cc2OC)-c2c(OC)c(OC)cc4c2[C@@H](C3)N(C)CC4)cc1OC ZINC000059364559 554392809 /nfs/dbraw/zinc/39/28/09/554392809.db2.gz ZCTJIMXXSXQXRI-LOYHVIPDSA-N 1 1 696.841 7.063 50 0 biogenic KKAAMO CC(C)c1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000059646967 554417372 /nfs/dbraw/zinc/41/73/72/554417372.db2.gz YDGPKGNLPLTHLH-UHFFFAOYSA-N 1 1 567.755 5.939 50 0 KKAAMO C[C@H](Oc1cc(-n2cnc3ccc(C[NH+]4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000059715991 554426251 /nfs/dbraw/zinc/42/62/51/554426251.db2.gz ZHJGWYRLJUCMRT-KRWDZBQOSA-N 1 1 543.615 5.092 50 0 investigational KKAAMO O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059758393 554428471 /nfs/dbraw/zinc/42/84/71/554428471.db2.gz YJVVYXAVAVKHLM-UHFFFAOYSA-N 1 1 546.700 5.355 50 0 KKAAMO O=C(c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059821410 554431390 /nfs/dbraw/zinc/43/13/90/554431390.db2.gz LKEZUIPKVRSZDM-ZCYQVOJMSA-N 1 1 551.638 6.152 50 0 KKAAMO O=C(c1cnn2c1nc(-c1cccs1)cc2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059889407 554472321 /nfs/dbraw/zinc/47/23/21/554472321.db2.gz PRONAQWXGYDKCB-UHFFFAOYSA-N 1 1 547.606 6.024 50 0 aggregator KKAAMO Cc1c2c(c(C)c3c1[C@@]1(C)C(c4ccccc4)=C(c4ccccc4)[C@]3(C)[N@@H+]1C)[C@@]1(C)C(c3ccccc3)=C(c3ccccc3)[C@]2(C)N1C ZINC000100813739 554475500 /nfs/dbraw/zinc/47/55/00/554475500.db2.gz PHFZLVYDJIZOGB-RYSLUOGPSA-N 1 1 624.872 10.304 50 0 KKAAMO Cc1c2c(c(C)c3c1[C@@]1(C)C(c4ccccc4)=C(c4ccccc4)[C@]3(C)[N@H+]1C)[C@@]1(C)C(c3ccccc3)=C(c3ccccc3)[C@]2(C)N1C ZINC000100813739 554475503 /nfs/dbraw/zinc/47/55/03/554475503.db2.gz PHFZLVYDJIZOGB-RYSLUOGPSA-N 1 1 624.872 10.304 50 0 KKAAMO Cc1ccc(C(=O)N/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)NCCC[NH+]2CCOCC2)cc1 ZINC000100833273 554482921 /nfs/dbraw/zinc/48/29/21/554482921.db2.gz UJYHKPKELOHZAL-BWAHOGKJSA-N 1 1 542.463 5.171 50 0 KKAAMO Cc1[nH]c2ccccc2c1[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@H](c2c(C)[nH]c3ccccc32)c2ccc(F)cc2)CC1 ZINC000100868778 554497533 /nfs/dbraw/zinc/49/75/33/554497533.db2.gz CCGBCMYLKHZNND-TYHGNQNSSA-N 1 1 560.692 8.041 50 0 KKAAMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000064373444 554510849 /nfs/dbraw/zinc/51/08/49/554510849.db2.gz MYKURCFTIZBVPS-MPQQFYCHSA-N 1 1 574.718 6.089 50 0 biogenic KKAAMO C[NH+]1CCC(N2CCN(C(=O)[C@@H]3C[C@@H](Sc4ccc(F)cc4)CN3Cc3ccc4c(c3)Cc3ccccc3-4)CC2)CC1 ZINC000100890045 554511579 /nfs/dbraw/zinc/51/15/79/554511579.db2.gz IVMOSHFMAARMIX-FJQKOURKSA-N 1 1 584.805 5.371 50 0 KKAAMO C[C@H](CCC(=O)N1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C ZINC000066099759 554528199 /nfs/dbraw/zinc/52/81/99/554528199.db2.gz UTMFIKFVXBHDRL-GSUIVHTASA-N 1 1 550.828 5.738 50 0 biogenic KKAAMO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997806 554538124 /nfs/dbraw/zinc/53/81/24/554538124.db2.gz GGRFXCGOSHLLEF-WMPKNSHKSA-N 1 1 670.468 7.556 50 0 KKAAMO COc1ccccc1N1CC[NH+](Cc2ccc(C(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)cc2)CC1 ZINC000100955465 554539194 /nfs/dbraw/zinc/53/91/94/554539194.db2.gz SUUDZLAOVUGHSR-UHFFFAOYSA-N 1 1 548.712 6.855 50 0 KKAAMO COc1ccc(OC)c(CC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000101056260 554569503 /nfs/dbraw/zinc/56/95/03/554569503.db2.gz ASLIKJJMMURXMZ-QFIPXVFZSA-N 1 1 550.721 5.425 50 0 KKAAMO COc1ccc(/C=C/C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)cc1 ZINC000101215715 554681623 /nfs/dbraw/zinc/68/16/23/554681623.db2.gz PGVPYTMVRROUAB-CXUHLZMHSA-N 1 1 533.607 5.597 50 0 KKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)COc2cccc(C)c2)CC1 ZINC000101216572 554684074 /nfs/dbraw/zinc/68/40/74/554684074.db2.gz SPLWNMKCLFTGOJ-UHFFFAOYSA-N 1 1 533.632 5.132 50 0 KKAAMO O=C(C[C@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254867 554695918 /nfs/dbraw/zinc/69/59/18/554695918.db2.gz KYDREQSXADOZFY-NDEPHWFRSA-N 1 1 594.156 5.018 50 0 KKAAMO Cc1cccc(C[N@@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@H]2CCCO2)c1 ZINC000101255904 554697052 /nfs/dbraw/zinc/69/70/52/554697052.db2.gz PCYPAXKKKZBVFE-NAKRPHOHSA-N 1 1 562.579 6.037 50 0 KKAAMO COc1cc(C[N@H+]2C[C@@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[C@@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000101260293 554697229 /nfs/dbraw/zinc/69/72/29/554697229.db2.gz RMZDPVZMBJRRKO-RPWUZVMVSA-N 1 1 544.589 6.092 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101325427 554728969 /nfs/dbraw/zinc/72/89/69/554728969.db2.gz BCSWVLVKAWZHON-BAAZAXTHSA-N 1 1 546.454 5.570 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101325427 554728970 /nfs/dbraw/zinc/72/89/70/554728970.db2.gz BCSWVLVKAWZHON-BAAZAXTHSA-N 1 1 546.454 5.570 50 0 KKAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000101341479 554735550 /nfs/dbraw/zinc/73/55/50/554735550.db2.gz JSKRKRYCNHXIAO-AREMUKBSSA-N 1 1 582.550 5.065 50 0 KKAAMO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)c(C)c1 ZINC000101341578 554735944 /nfs/dbraw/zinc/73/59/44/554735944.db2.gz KUGOJTZHVXDPIL-BTYSJIOQSA-N 1 1 569.768 5.072 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391721 554755452 /nfs/dbraw/zinc/75/54/52/554755452.db2.gz CSTFUZXEARCNQU-IXCJQBJRSA-N 1 1 549.900 5.759 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000101406829 554761972 /nfs/dbraw/zinc/76/19/72/554761972.db2.gz SYNRQYRZKMBATH-IBGZPJMESA-N 1 1 538.088 6.395 50 0 KKAAMO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000101416045 554764906 /nfs/dbraw/zinc/76/49/06/554764906.db2.gz KEUUHUKHSYBODG-UHFFFAOYSA-N 1 1 611.739 5.503 50 0 KKAAMO CCOC(=O)c1ccccc1NC(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000101477440 554782652 /nfs/dbraw/zinc/78/26/52/554782652.db2.gz ROFKHZFSZABYEM-UHFFFAOYSA-N 1 1 570.517 6.516 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101505549 554789731 /nfs/dbraw/zinc/78/97/31/554789731.db2.gz OPSYONZQPIEVBX-MTBINSJKSA-N 1 1 559.453 5.073 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCC[NH+]4CCN(c5cccc(C)c5C)CC4)cc3)C2=O)c1 ZINC000101506293 554789877 /nfs/dbraw/zinc/78/98/77/554789877.db2.gz NDVHMJROACRILY-QEOQBAOWSA-N 1 1 630.858 7.152 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101507051 554791052 /nfs/dbraw/zinc/79/10/52/554791052.db2.gz RNRMTLCGRPLUKM-PPFNPFNJSA-N 1 1 573.762 6.941 50 0 KKAAMO COc1ccc(OC)c2c1cc1n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000101578559 554799228 /nfs/dbraw/zinc/79/92/28/554799228.db2.gz ZFVJONGWMAEUMW-YBBGPBPVSA-N 1 1 552.760 5.080 50 0 KKAAMO CCOc1cc2sc(N3CCC(C(=O)NCCC[N@@H+](Cc4ccccc4)C(C)C)CC3)nc2cc1Br ZINC000101583010 554800989 /nfs/dbraw/zinc/80/09/89/554800989.db2.gz KFWDIUKPXAPDST-UHFFFAOYSA-N 1 1 573.601 6.091 50 0 KKAAMO CCOc1cc2sc(N3CCC(C(=O)NCC[N@@H+]([C@H](C)CC)C4CCCCC4)CC3)nc2cc1Br ZINC000101583019 554801012 /nfs/dbraw/zinc/80/10/12/554801012.db2.gz ZYFBZBDHEUZCRW-LJQANCHMSA-N 1 1 565.622 6.223 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)Sc2ccccc21 ZINC000101634224 554812431 /nfs/dbraw/zinc/81/24/31/554812431.db2.gz GNBRLBWKUXIWFA-MSPRMREJSA-N 1 1 572.569 5.708 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000101636886 554813199 /nfs/dbraw/zinc/81/31/99/554813199.db2.gz UHHNKBVQMVACJM-USYZEHPZSA-N 1 1 631.173 5.748 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000101683579 554828739 /nfs/dbraw/zinc/82/87/39/554828739.db2.gz AFENDXGDVAFBSC-YEOMKBMOSA-N 1 1 541.047 6.302 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000101683579 554828742 /nfs/dbraw/zinc/82/87/42/554828742.db2.gz AFENDXGDVAFBSC-YEOMKBMOSA-N 1 1 541.047 6.302 50 0 KKAAMO CC(C)(C)NC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000101733878 554833620 /nfs/dbraw/zinc/83/36/20/554833620.db2.gz BMIYTQYBFKIXEP-UHFFFAOYSA-N 1 1 535.614 6.313 50 0 KKAAMO COc1ccccc1-c1csc2nc(C[N@H+](CCC(C)C)C[C@@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c12 ZINC000101823513 554841282 /nfs/dbraw/zinc/84/12/82/554841282.db2.gz IEXHBAWGGJAENA-HXUWFJFHSA-N 1 1 542.101 5.602 50 0 KKAAMO COc1ccccc1-c1csc2nc(C[N@@H+](CCC(C)C)C[C@@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c12 ZINC000101823513 554841283 /nfs/dbraw/zinc/84/12/83/554841283.db2.gz IEXHBAWGGJAENA-HXUWFJFHSA-N 1 1 542.101 5.602 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccc(C)cc3C)n2)C1 ZINC000101858008 554844019 /nfs/dbraw/zinc/84/40/19/554844019.db2.gz JAIAITOTRVQELT-AREMUKBSSA-N 1 1 542.680 5.433 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccc(C)cc3C)n2)C1 ZINC000101858008 554844021 /nfs/dbraw/zinc/84/40/21/554844021.db2.gz JAIAITOTRVQELT-AREMUKBSSA-N 1 1 542.680 5.433 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000101904125 554848051 /nfs/dbraw/zinc/84/80/51/554848051.db2.gz VVDVOMWNJLXJES-SANMLTNESA-N 1 1 553.128 5.090 50 0 KKAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3cccs3)on2)CC1 ZINC000101917463 554850563 /nfs/dbraw/zinc/85/05/63/554850563.db2.gz MAYPGPXYZWCDGV-UHFFFAOYSA-N 1 1 536.654 5.365 50 0 KKAAMO Cc1cc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)c(=O)[nH]c1C ZINC000101957616 554853303 /nfs/dbraw/zinc/85/33/03/554853303.db2.gz ZCPWPQGOGFMQLB-MUUNZHRXSA-N 1 1 538.692 5.636 50 0 KKAAMO COc1cc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)cc2)cc(OC)c1OC ZINC000101975960 554862803 /nfs/dbraw/zinc/86/28/03/554862803.db2.gz KCYDPBMBFFUBTM-RUZDIDTESA-N 1 1 537.638 5.189 50 0 KKAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)cc2)CC1 ZINC000101979648 554863626 /nfs/dbraw/zinc/86/36/26/554863626.db2.gz YUGIDUUOXHLBSO-KYJUHHDHSA-N 1 1 542.749 5.748 50 0 KKAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)cc2)CC1 ZINC000101979645 554863704 /nfs/dbraw/zinc/86/37/04/554863704.db2.gz YUGIDUUOXHLBSO-IHLOFXLRSA-N 1 1 542.749 5.748 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000102050848 554871164 /nfs/dbraw/zinc/87/11/64/554871164.db2.gz XJLYNBVANNQYLU-LJAQVGFWSA-N 1 1 559.751 5.919 50 0 KKAAMO C[N@@H+](Cc1ccc(OC2CCN(C(=O)[C@@H](c3ccccc3)C3CCCC3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102088934 554877212 /nfs/dbraw/zinc/87/72/12/554877212.db2.gz QRONMDNVNOXLIB-DHUJRADRSA-N 1 1 547.743 7.211 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000102093648 554878723 /nfs/dbraw/zinc/87/87/23/554878723.db2.gz PXZWZPZTKDJDPQ-AJQTZOPKSA-N 1 1 531.700 5.764 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102098991 554880760 /nfs/dbraw/zinc/88/07/60/554880760.db2.gz BZAJHVYCKFSBJP-XNMGPUDCSA-N 1 1 538.610 6.448 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](CC)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102099470 554881253 /nfs/dbraw/zinc/88/12/53/554881253.db2.gz CFMACVDCZGUKLJ-QHCPKHFHSA-N 1 1 556.482 5.935 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c2)N3)C1 ZINC000102100517 554881529 /nfs/dbraw/zinc/88/15/29/554881529.db2.gz XUUITGJTCCCAAA-QFIPXVFZSA-N 1 1 532.449 6.090 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102100787 554881588 /nfs/dbraw/zinc/88/15/88/554881588.db2.gz YYAVHSIBXLHSPJ-HHHXNRCGSA-N 1 1 604.526 6.726 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102100787 554881590 /nfs/dbraw/zinc/88/15/90/554881590.db2.gz YYAVHSIBXLHSPJ-HHHXNRCGSA-N 1 1 604.526 6.726 50 0 KKAAMO C[C@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000102327580 554912287 /nfs/dbraw/zinc/91/22/87/554912287.db2.gz RQXAFPGUHVTCBJ-JOCHJYFZSA-N 1 1 577.150 5.941 50 0 KKAAMO O=C(/C=C/c1ccccc1Cl)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000102379820 554918263 /nfs/dbraw/zinc/91/82/63/554918263.db2.gz AUZUXUHUWMZMTD-IUKPUOCZSA-N 1 1 545.127 5.384 50 0 KKAAMO CCCN(C)c1cc(Cl)nc(SCc2cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)n1 ZINC000102427751 554926321 /nfs/dbraw/zinc/92/63/21/554926321.db2.gz MOAPKZLHPZACED-UHFFFAOYSA-N 1 1 586.205 6.816 50 0 KKAAMO C[N@@H+](Cc1cccs1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000102431796 554927031 /nfs/dbraw/zinc/92/70/31/554927031.db2.gz UVYYXBYFLMYEKU-UHFFFAOYSA-N 1 1 590.145 6.157 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000102452537 554932970 /nfs/dbraw/zinc/93/29/70/554932970.db2.gz YNAUDRMREKVKAC-BSKIJULFSA-N 1 1 562.483 7.469 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc3c2CCCC3)CC[N@H+](C)C4)cc1 ZINC000102499562 554942120 /nfs/dbraw/zinc/94/21/20/554942120.db2.gz QFMNORGPCDEULV-SSEXGKCCSA-N 1 1 538.717 6.551 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc3c2CCCC3)CC[N@@H+](C)C4)cc1 ZINC000102499562 554942122 /nfs/dbraw/zinc/94/21/22/554942122.db2.gz QFMNORGPCDEULV-SSEXGKCCSA-N 1 1 538.717 6.551 50 0 KKAAMO COC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(OC)cc2)C[N@@H+](C)CC4)c1 ZINC000102499656 554942157 /nfs/dbraw/zinc/94/21/57/554942157.db2.gz FIHNDERCSDYEMD-HHHXNRCGSA-N 1 1 542.661 5.459 50 0 KKAAMO COC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(OC)cc2)C[N@H+](C)CC4)c1 ZINC000102499656 554942160 /nfs/dbraw/zinc/94/21/60/554942160.db2.gz FIHNDERCSDYEMD-HHHXNRCGSA-N 1 1 542.661 5.459 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)c1 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C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2F)[C@@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000102500335 554942847 /nfs/dbraw/zinc/94/28/47/554942847.db2.gz OJIFJZSHLIXDPV-VWLOTQADSA-N 1 1 525.024 6.595 50 0 KKAAMO C[N@@H+](Cc1ccc(OC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000102568741 554970124 /nfs/dbraw/zinc/97/01/24/554970124.db2.gz VXADKYVFEIBSGQ-UHFFFAOYSA-N 1 1 551.712 6.252 50 0 KKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000102571560 554970691 /nfs/dbraw/zinc/97/06/91/554970691.db2.gz SCVTVQONBZGLRZ-UHFFFAOYSA-N 1 1 561.675 5.637 50 0 KKAAMO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)c2ccc(N4CCOCC4)cc2)C3)s1 ZINC000102582644 554972851 /nfs/dbraw/zinc/97/28/51/554972851.db2.gz JEQOHRDYGFOKHD-XMMPIXPASA-N 1 1 561.748 5.316 50 0 KKAAMO O=C(CC[C@H]1C[N@@H+](Cc2cccnc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCc2ccccc2C1 ZINC000102595626 554976567 /nfs/dbraw/zinc/97/65/67/554976567.db2.gz APQUVWJJIUQEPZ-BHDXBOSCSA-N 1 1 591.722 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O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000102889194 555123181 /nfs/dbraw/zinc/12/31/81/555123181.db2.gz DPJKNKLGQZQEMQ-HFLBTKGNSA-N 1 1 553.540 6.013 50 0 KKAAMO CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2C)N2C(CC(=O)N3CC[NH+](Cc4ccccc4)CC3)=CSC2=N1 ZINC000102936716 555164655 /nfs/dbraw/zinc/16/46/55/555164655.db2.gz BQFUKWILHPHDFJ-GDLZYMKVSA-N 1 1 544.721 5.176 50 0 KKAAMO O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000102955430 555173706 /nfs/dbraw/zinc/17/37/06/555173706.db2.gz RVXOPAJSALUJDE-UHFFFAOYSA-N 1 1 538.113 5.062 50 0 KKAAMO Cc1ccc(C[N@H+](CCN2CCOCC2)Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)s1 ZINC000103032284 555219839 /nfs/dbraw/zinc/21/98/39/555219839.db2.gz ABEOZNYTVIDQRA-UHFFFAOYSA-N 1 1 538.660 5.546 50 0 KKAAMO Cc1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)s1 ZINC000103032284 555219842 /nfs/dbraw/zinc/21/98/42/555219842.db2.gz ABEOZNYTVIDQRA-UHFFFAOYSA-N 1 1 538.660 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UTZGHKCTJHJUAZ-UHFFFAOYSA-N 1 1 597.546 7.402 50 0 KKAAMO Cc1c2c(n(Cc3c(F)cccc3F)c1C(=O)N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)CCCC2 ZINC000103201648 555337506 /nfs/dbraw/zinc/33/75/06/555337506.db2.gz UYPDTIGKYLHCNB-UHFFFAOYSA-N 1 1 539.670 6.549 50 0 KKAAMO Nc1c2c(nn1-c1cccc(F)c1)nc(N1CC[NH+](Cc3ccc(Cl)cc3)CC1)nc2-c1ccccc1F ZINC000103235046 555342271 /nfs/dbraw/zinc/34/22/71/555342271.db2.gz QQHKGGCFSMSSHZ-UHFFFAOYSA-N 1 1 531.998 5.319 50 0 KKAAMO CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2)C(=O)C[C@@H]1c1cccc(C)c1 ZINC000103249867 555344151 /nfs/dbraw/zinc/34/41/51/555344151.db2.gz FGXXAXHBBFUBGY-WJOKGBTCSA-N 1 1 565.714 5.306 50 0 KKAAMO CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103278116 555350384 /nfs/dbraw/zinc/35/03/84/555350384.db2.gz OQLYQLXQSNKJPM-NDEPHWFRSA-N 1 1 529.710 5.188 50 0 KKAAMO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2cnc(S(=O)(=O)Cc3cccc(C)c3)n2C2CCCCC2)cc1 ZINC000103280806 555351493 /nfs/dbraw/zinc/35/14/93/555351493.db2.gz RHZIUWQJWBBSOQ-UHFFFAOYSA-N 1 1 551.757 5.575 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308952 555357558 /nfs/dbraw/zinc/35/75/58/555357558.db2.gz QKYXNOPQBNBDEM-MCZNPFQCSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308952 555357561 /nfs/dbraw/zinc/35/75/61/555357561.db2.gz QKYXNOPQBNBDEM-MCZNPFQCSA-N 1 1 556.062 5.452 50 0 KKAAMO OC(c1ccc(C[N@H+](CCN2CCOCC2)Cc2ccc(F)cc2)o1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000103340563 555361697 /nfs/dbraw/zinc/36/16/97/555361697.db2.gz OZLMRPBGVQQFMY-UHFFFAOYSA-N 1 1 536.594 5.316 50 0 KKAAMO OC(c1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccc(F)cc2)o1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000103340563 555361700 /nfs/dbraw/zinc/36/17/00/555361700.db2.gz OZLMRPBGVQQFMY-UHFFFAOYSA-N 1 1 536.594 5.316 50 0 KKAAMO O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Cl)c1)NCCC[NH+]1CCOCC1 ZINC000103359775 555364288 /nfs/dbraw/zinc/36/42/88/555364288.db2.gz MCGLJMLLNIXXBL-MUUNZHRXSA-N 1 1 534.075 5.843 50 0 KKAAMO O=C(C[N@@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000103361387 555365181 /nfs/dbraw/zinc/36/51/81/555365181.db2.gz IPLGIBRMKPSRLG-RUZDIDTESA-N 1 1 529.493 5.379 50 0 KKAAMO O=C(C[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000103361387 555365186 /nfs/dbraw/zinc/36/51/86/555365186.db2.gz IPLGIBRMKPSRLG-RUZDIDTESA-N 1 1 529.493 5.379 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000103363254 555365248 /nfs/dbraw/zinc/36/52/48/555365248.db2.gz KIKISGOANDWTGW-WINIVTDRSA-N 1 1 541.092 5.643 50 0 KKAAMO O=C(Cc1ccc(F)cc1)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000103398064 555384208 /nfs/dbraw/zinc/38/42/08/555384208.db2.gz ZRLUUNAFRIMXME-UHFFFAOYSA-N 1 1 572.606 6.713 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2ccc(C(F)(F)F)cc2)CC1 ZINC000103420114 555400454 /nfs/dbraw/zinc/40/04/54/555400454.db2.gz RNWCHJXUAWOJLS-HHHXNRCGSA-N 1 1 537.601 6.534 50 0 KKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435236 555417756 /nfs/dbraw/zinc/41/77/56/555417756.db2.gz FIKKHZGZLLGDJB-WNCULLNHSA-N 1 1 533.009 7.264 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(C(C)(C)C)cc2)CC1 ZINC000103483270 555421195 /nfs/dbraw/zinc/42/11/95/555421195.db2.gz JJAXKRVNGXOPOD-HKBQPEDESA-N 1 1 537.748 6.682 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(CC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000103535902 555435627 /nfs/dbraw/zinc/43/56/27/555435627.db2.gz ZNGZJSUDQYPYSO-OSZGUBSQSA-N 1 1 582.700 6.875 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(CC(C)C)cc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000103535902 555435629 /nfs/dbraw/zinc/43/56/29/555435629.db2.gz ZNGZJSUDQYPYSO-OSZGUBSQSA-N 1 1 582.700 6.875 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(CC(C)C)cc3)[C@]3(c4ccccc4NC3=O)[C@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000103535902 555435632 /nfs/dbraw/zinc/43/56/32/555435632.db2.gz ZNGZJSUDQYPYSO-OSZGUBSQSA-N 1 1 582.700 6.875 50 0 KKAAMO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cl)cc1 ZINC000103578604 555451259 /nfs/dbraw/zinc/45/12/59/555451259.db2.gz OCSSPPVRIBPKRC-MVQDXTSDSA-N 1 1 542.120 5.871 50 0 KKAAMO COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000101671441 571361349 /nfs/dbraw/zinc/36/13/49/571361349.db2.gz STOAPNMOTXHAIM-CXNUKBDRSA-N 1 1 556.618 5.686 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103287982 571361492 /nfs/dbraw/zinc/36/14/92/571361492.db2.gz SQCZTRWPUIZFTB-JWXXLELASA-N 1 1 568.673 6.766 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287982 571361494 /nfs/dbraw/zinc/36/14/94/571361494.db2.gz SQCZTRWPUIZFTB-JWXXLELASA-N 1 1 568.673 6.766 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103287982 571361496 /nfs/dbraw/zinc/36/14/96/571361496.db2.gz SQCZTRWPUIZFTB-JWXXLELASA-N 1 1 568.673 6.766 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288008 571361575 /nfs/dbraw/zinc/36/15/75/571361575.db2.gz INUYKDTWZDTVGN-HATVSKDLSA-N 1 1 572.636 6.596 50 0 KKAAMO COc1cc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000104141710 571374683 /nfs/dbraw/zinc/37/46/83/571374683.db2.gz IPGGCZWBQGQORS-DCUJYUDKSA-N 1 1 566.654 5.426 50 0 KKAAMO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104920871 571387981 /nfs/dbraw/zinc/38/79/81/571387981.db2.gz XCNDMYKLQOKWQU-AZGAKELHSA-N 1 1 513.629 5.031 50 0 KKAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104985335 571388704 /nfs/dbraw/zinc/38/87/04/571388704.db2.gz NWXYRCUVHTYKDD-IFMALSPDSA-N 1 1 507.389 5.298 50 0 KKAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984900 571388824 /nfs/dbraw/zinc/38/88/24/571388824.db2.gz YWJCPDUGNPGTHU-RBBKRZOGSA-N 1 1 507.389 5.298 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000105007150 571389205 /nfs/dbraw/zinc/38/92/05/571389205.db2.gz LAUGOIOKYRAZNE-VPUSJEBWSA-N 1 1 507.675 5.202 50 0 KKAAMO Cc1cccc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccccc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000105019214 571389332 /nfs/dbraw/zinc/38/93/32/571389332.db2.gz MBWCVSFPSHMRRG-XRKRLSELSA-N 1 1 508.628 7.028 50 0 KKAAMO COc1cc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)cc(OC)c1 ZINC000105042234 571390245 /nfs/dbraw/zinc/39/02/45/571390245.db2.gz PNIKLBBJXAAJED-GIGWZHCTSA-N 1 1 558.616 6.628 50 0 KKAAMO Cc1cc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042556 571390351 /nfs/dbraw/zinc/39/03/51/571390351.db2.gz HTDMDWOPRKQETE-UFHPHHKVSA-N 1 1 530.606 7.068 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000105061841 571391029 /nfs/dbraw/zinc/39/10/29/571391029.db2.gz VGZUEQGSTMMCAP-HLADLETHSA-N 1 1 543.777 6.065 50 0 KKAAMO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc1 ZINC000150388829 571471179 /nfs/dbraw/zinc/47/11/79/571471179.db2.gz HJSVSOMNJLIMIW-UHFFFAOYSA-N 1 1 672.140 9.812 50 0 KKAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(SC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414619 571485112 /nfs/dbraw/zinc/48/51/12/571485112.db2.gz ZGQCYVMPHDUMDP-WJOKGBTCSA-N 1 1 659.878 5.124 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O ZINC000150426710 571490941 /nfs/dbraw/zinc/49/09/41/571490941.db2.gz GSFJMBKRVSRMNT-UHFFFAOYSA-N 1 1 647.172 5.414 50 0 KKAAMO O=C(NCc1ccccc1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169677608 571555138 /nfs/dbraw/zinc/55/51/38/571555138.db2.gz GIMKUDMQJZCYDI-RSXGOPAZSA-N 1 1 513.991 5.538 50 0 KKAAMO CC[N@@H+](Cc1nn(-c2ccccc2)c2c1CN(Cc1cc(F)ccc1F)CC2)C[C@@H](O)Cc1ccccc1 ZINC000169680441 571556730 /nfs/dbraw/zinc/55/67/30/571556730.db2.gz GDGPIOMHNOXQIS-MHZLTWQESA-N 1 1 516.636 5.134 50 0 KKAAMO CC[N@H+](Cc1nn(-c2ccccc2)c2c1CN(Cc1cc(F)ccc1F)CC2)C[C@@H](O)Cc1ccccc1 ZINC000169680441 571556731 /nfs/dbraw/zinc/55/67/31/571556731.db2.gz GDGPIOMHNOXQIS-MHZLTWQESA-N 1 1 516.636 5.134 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680854 571556973 /nfs/dbraw/zinc/55/69/73/571556973.db2.gz QHXVJVWXUASHAI-FWUCURJTSA-N 1 1 559.757 5.079 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@@H](C)C2)cc1 ZINC000169680854 571556975 /nfs/dbraw/zinc/55/69/75/571556975.db2.gz QHXVJVWXUASHAI-FWUCURJTSA-N 1 1 559.757 5.079 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000169680787 571557021 /nfs/dbraw/zinc/55/70/21/571557021.db2.gz DAWQZRHKWHKFCM-CCLHPLFOSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000169680787 571557023 /nfs/dbraw/zinc/55/70/23/571557023.db2.gz DAWQZRHKWHKFCM-CCLHPLFOSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000169680872 571557224 /nfs/dbraw/zinc/55/72/24/571557224.db2.gz OESAUUDLLVJPKU-YUDQIZAISA-N 1 1 529.750 5.675 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H](C)C1 ZINC000169680872 571557226 /nfs/dbraw/zinc/55/72/26/571557226.db2.gz OESAUUDLLVJPKU-YUDQIZAISA-N 1 1 529.750 5.675 50 0 KKAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000169682000 571557697 /nfs/dbraw/zinc/55/76/97/571557697.db2.gz JPOOTSDVFNVPJE-PZGXJGMVSA-N 1 1 501.696 5.021 50 0 KKAAMO O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681925 571557779 /nfs/dbraw/zinc/55/77/79/571557779.db2.gz CAUVRAMUISFTTM-OZXSUGGESA-N 1 1 531.981 5.677 50 0 KKAAMO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613396 571561927 /nfs/dbraw/zinc/56/19/27/571561927.db2.gz JWHCSLSSRVHCLF-ZBLYBZFDSA-N 1 1 533.068 6.400 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCc2ccc(F)cc2)CC1 ZINC000299778044 572136583 /nfs/dbraw/zinc/13/65/83/572136583.db2.gz FJWRKMGHZGKTJA-BHBYDHKZSA-N 1 1 579.160 5.597 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCc2ccc(F)cc2)CC1 ZINC000299778044 572136586 /nfs/dbraw/zinc/13/65/86/572136586.db2.gz FJWRKMGHZGKTJA-BHBYDHKZSA-N 1 1 579.160 5.597 50 0 KKAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]21 ZINC000226844084 572143628 /nfs/dbraw/zinc/14/36/28/572143628.db2.gz WRMFJFZIIJJBEM-CAFXQFFASA-N 1 1 578.978 5.049 50 0 KKAAMO COc1ccc(C(O)=C2[C@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000229999315 572177766 /nfs/dbraw/zinc/17/77/66/572177766.db2.gz SUJODGZTLOJDDP-NIKYWZLZSA-N 1 1 557.606 5.081 50 0 KKAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@H](OC(=O)c6ccco6)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000239174500 572191855 /nfs/dbraw/zinc/19/18/55/572191855.db2.gz QDRWJGGEHHAYQU-NVLQXZLSSA-N 1 1 523.714 5.344 50 0 KKAAMO COc1cc(C[N@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)cc(OC)c1 ZINC000245279513 572223963 /nfs/dbraw/zinc/22/39/63/572223963.db2.gz GQFCRXRYAJLBCZ-KCWPFWIISA-N 1 1 512.572 5.992 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000245330413 572236415 /nfs/dbraw/zinc/23/64/15/572236415.db2.gz YIPQTEYEQKRBKX-IGKIAQTJSA-N 1 1 514.563 6.117 50 0 KKAAMO CCCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245343040 572237180 /nfs/dbraw/zinc/23/71/80/572237180.db2.gz CRAAZTDUHIJFSQ-GPNASLBKSA-N 1 1 561.767 6.331 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245343048 572237283 /nfs/dbraw/zinc/23/72/83/572237283.db2.gz CXPDIMBNZQKTGR-UZTOHYMASA-N 1 1 542.532 5.766 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000245343226 572237721 /nfs/dbraw/zinc/23/77/21/572237721.db2.gz IUSLYDADBBCUFE-ZHNVJZHNSA-N 1 1 567.085 6.328 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000245343226 572237724 /nfs/dbraw/zinc/23/77/24/572237724.db2.gz IUSLYDADBBCUFE-ZHNVJZHNSA-N 1 1 567.085 6.328 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000245343571 572239477 /nfs/dbraw/zinc/23/94/77/572239477.db2.gz SGHUENSJVVOIES-XRHLQHRESA-N 1 1 575.537 6.296 50 0 KKAAMO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247477711 572242362 /nfs/dbraw/zinc/24/23/62/572242362.db2.gz HVQPCBMKPPLUEV-UHFFFAOYSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247464698 572242407 /nfs/dbraw/zinc/24/24/07/572242407.db2.gz CEWYQWIONLSANJ-JOCHJYFZSA-N 1 1 517.471 5.359 50 0 KKAAMO O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247465573 572242415 /nfs/dbraw/zinc/24/24/15/572242415.db2.gz CLSFPNBTWDUAFM-OAQYLSRUSA-N 1 1 551.916 6.012 50 0 KKAAMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247483999 572242553 /nfs/dbraw/zinc/24/25/53/572242553.db2.gz KAPJZUSRMLORDW-UHFFFAOYSA-N 1 1 541.852 6.431 50 0 KKAAMO O=C(NCc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247496630 572242582 /nfs/dbraw/zinc/24/25/82/572242582.db2.gz OJULPNNZVZVZOL-FQEVSTJZSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247510863 572242726 /nfs/dbraw/zinc/24/27/26/572242726.db2.gz SWHPGYGIYMQHLV-UHFFFAOYSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247738999 572244086 /nfs/dbraw/zinc/24/40/86/572244086.db2.gz MTKDGQIXNZMQHQ-UHFFFAOYSA-N 1 1 557.414 6.658 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247743020 572244113 /nfs/dbraw/zinc/24/41/13/572244113.db2.gz PDETVCOOSNBBRI-FQEVSTJZSA-N 1 1 537.889 6.351 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247743020 572244115 /nfs/dbraw/zinc/24/41/15/572244115.db2.gz PDETVCOOSNBBRI-FQEVSTJZSA-N 1 1 537.889 6.351 50 0 KKAAMO O=C(Nc1ccccc1F)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247736131 572244181 /nfs/dbraw/zinc/24/41/81/572244181.db2.gz LCNDCELWCXPPEX-SFHVURJKSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1ccccc1F)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247736131 572244183 /nfs/dbraw/zinc/24/41/83/572244183.db2.gz LCNDCELWCXPPEX-SFHVURJKSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1cccc2ccccc21)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247727686 572244222 /nfs/dbraw/zinc/24/42/22/572244222.db2.gz FFDQTDAMHUUHJB-UHFFFAOYSA-N 1 1 539.477 6.792 50 0 KKAAMO O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247749990 572244502 /nfs/dbraw/zinc/24/45/02/572244502.db2.gz SXYMYBIARGIVHI-HXUWFJFHSA-N 1 1 526.990 6.608 50 0 KKAAMO O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247749990 572244504 /nfs/dbraw/zinc/24/45/04/572244504.db2.gz SXYMYBIARGIVHI-HXUWFJFHSA-N 1 1 526.990 6.608 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754552 572244802 /nfs/dbraw/zinc/24/48/02/572244802.db2.gz WFLCYMVAZHQCRY-SFHVURJKSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247842930 572245965 /nfs/dbraw/zinc/24/59/65/572245965.db2.gz FZTQSCRLCHIVMZ-QFIPXVFZSA-N 1 1 576.514 5.488 50 0 KKAAMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c(C)c1 ZINC000247860009 572246488 /nfs/dbraw/zinc/24/64/88/572246488.db2.gz FRDGXLJPCAFPDZ-NRFANRHFSA-N 1 1 517.471 6.256 50 0 KKAAMO Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247857621 572246523 /nfs/dbraw/zinc/24/65/23/572246523.db2.gz DNSRONZYSXNCCQ-MHZLTWQESA-N 1 1 556.154 5.916 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247859647 572246580 /nfs/dbraw/zinc/24/65/80/572246580.db2.gz MDORLIAZVNIAEA-HSZRJFAPSA-N 1 1 596.990 6.606 50 0 KKAAMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c(C)c1 ZINC000247860013 572246638 /nfs/dbraw/zinc/24/66/38/572246638.db2.gz FRDGXLJPCAFPDZ-OAQYLSRUSA-N 1 1 517.471 6.256 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4ccc(Cl)cc4Cl)CC3)nc3ccccc32)cc1 ZINC000247868299 572247181 /nfs/dbraw/zinc/24/71/81/572247181.db2.gz BZNJOGLGZOFQAP-UHFFFAOYSA-N 1 1 523.464 6.251 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247868422 572247184 /nfs/dbraw/zinc/24/71/84/572247184.db2.gz PPUDDIXEGOGHDU-NRFANRHFSA-N 1 1 566.508 6.032 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247868522 572247282 /nfs/dbraw/zinc/24/72/82/572247282.db2.gz PTAQYLFHRYBJMG-QFIPXVFZSA-N 1 1 592.969 6.002 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247876011 572247373 /nfs/dbraw/zinc/24/73/73/572247373.db2.gz TWVVAIDTKZATTP-XMMPIXPASA-N 1 1 562.545 5.952 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000247877588 572248047 /nfs/dbraw/zinc/24/80/47/572248047.db2.gz HRKUDLRLOWSQRK-RUZDIDTESA-N 1 1 558.126 5.307 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(F)c(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247882243 572248407 /nfs/dbraw/zinc/24/84/07/572248407.db2.gz JHTFZAGYGKWYPI-XMMPIXPASA-N 1 1 576.116 5.447 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4cc(Cl)ccc4Cl)CC3)nc3ccccc32)cc1 ZINC000247913264 572249173 /nfs/dbraw/zinc/24/91/73/572249173.db2.gz VDXYFVZDQUPWBQ-UHFFFAOYSA-N 1 1 523.464 6.251 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4ccccc4C(F)(F)F)C3)nc3ccccc32)cc1 ZINC000247912053 572249187 /nfs/dbraw/zinc/24/91/87/572249187.db2.gz UZQGPKGCOOPOMH-NRFANRHFSA-N 1 1 522.571 5.963 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4ccccc4C(F)(F)F)C3)nc3ccccc32)cc1 ZINC000247912053 572249190 /nfs/dbraw/zinc/24/91/90/572249190.db2.gz UZQGPKGCOOPOMH-NRFANRHFSA-N 1 1 522.571 5.963 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(C)c(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247910063 572249193 /nfs/dbraw/zinc/24/91/93/572249193.db2.gz UERBSOCHHLJTAY-MUUNZHRXSA-N 1 1 551.735 5.271 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4cc(Cl)ccc4Cl)C3)nc3ccccc32)cc1 ZINC000247918288 572249576 /nfs/dbraw/zinc/24/95/76/572249576.db2.gz XCAHMORKDBSPQE-FQEVSTJZSA-N 1 1 523.464 6.251 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4cc(Cl)ccc4Cl)C3)nc3ccccc32)cc1 ZINC000247918288 572249580 /nfs/dbraw/zinc/24/95/80/572249580.db2.gz XCAHMORKDBSPQE-FQEVSTJZSA-N 1 1 523.464 6.251 50 0 KKAAMO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247939349 572249912 /nfs/dbraw/zinc/24/99/12/572249912.db2.gz OYDGXEWGGXGYOI-JOCHJYFZSA-N 1 1 620.979 5.638 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c1 ZINC000247936653 572249922 /nfs/dbraw/zinc/24/99/22/572249922.db2.gz SNYJBURTIYPEDF-NWDGNEFISA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c1 ZINC000247936653 572249924 /nfs/dbraw/zinc/24/99/24/572249924.db2.gz SNYJBURTIYPEDF-NWDGNEFISA-N 1 1 556.062 5.452 50 0 KKAAMO Cc1cccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)c1 ZINC000247942370 572250337 /nfs/dbraw/zinc/25/03/37/572250337.db2.gz VHIZQXDMGIBEPT-UHFFFAOYSA-N 1 1 517.471 5.625 50 0 KKAAMO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000247961022 572250751 /nfs/dbraw/zinc/25/07/51/572250751.db2.gz XNHIASTWUWKPKC-UHFFFAOYSA-N 1 1 655.424 6.291 50 0 KKAAMO CC(C)N(C[C@@H]1C[N@@H+](C[C@@H](O)Cc2ccccc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000247972669 572251226 /nfs/dbraw/zinc/25/12/26/572251226.db2.gz DPQWSEXWSCVMDM-ZXRKZBAXSA-N 1 1 524.627 5.875 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248009358 572252269 /nfs/dbraw/zinc/25/22/69/572252269.db2.gz IQGLJKGZLRIGOW-XCZPVHLTSA-N 1 1 539.001 6.015 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000248083684 572253279 /nfs/dbraw/zinc/25/32/79/572253279.db2.gz DQVFRHXIWXRRCN-XMMPIXPASA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)cc1 ZINC000248085457 572253318 /nfs/dbraw/zinc/25/33/18/572253318.db2.gz FEOINFPAJUGUFQ-UHFFFAOYSA-N 1 1 511.645 5.034 50 0 KKAAMO CCCC[C@@H](CC)C(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248089900 572253385 /nfs/dbraw/zinc/25/33/85/572253385.db2.gz MIOIMFUAKFSCJR-FUFSCUOVSA-N 1 1 509.760 5.671 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000248091452 572253401 /nfs/dbraw/zinc/25/34/01/572253401.db2.gz MNYODBKMFQHKQZ-RNWIMVQKSA-N 1 1 507.744 5.424 50 0 KKAAMO Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248100979 572253553 /nfs/dbraw/zinc/25/35/53/572253553.db2.gz JOUBMNNMQPSEBR-DEOSSOPVSA-N 1 1 511.645 5.034 50 0 KKAAMO COc1cccc(C(O)=C2[C@H](C(=O)c3ccc(OC)cc3OC)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000248116570 572253887 /nfs/dbraw/zinc/25/38/87/572253887.db2.gz BJPJUHPTPGEYRF-HXLKRRFRSA-N 1 1 586.644 5.694 50 0 KKAAMO COc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)CC3)CC2)c1 ZINC000248118124 572254123 /nfs/dbraw/zinc/25/41/23/572254123.db2.gz CNEWQWIDBZRGTG-UHFFFAOYSA-N 1 1 588.550 5.357 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2c2ccccc2)cc1 ZINC000248121610 572254249 /nfs/dbraw/zinc/25/42/49/572254249.db2.gz SAVYTGWDLKJHKL-PXJZQJOASA-N 1 1 508.628 7.028 50 0 KKAAMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248139790 572255223 /nfs/dbraw/zinc/25/52/23/572255223.db2.gz QUENYTKDWSSOIW-IBGZPJMESA-N 1 1 519.443 5.647 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1C ZINC000248160187 572255976 /nfs/dbraw/zinc/25/59/76/572255976.db2.gz ODJQVBCFNBETAD-VWLOTQADSA-N 1 1 586.578 5.966 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000248163407 572256120 /nfs/dbraw/zinc/25/61/20/572256120.db2.gz QBXBPMJJFOTNIV-UYIPKLMTSA-N 1 1 516.622 6.038 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1C ZINC000248167442 572256243 /nfs/dbraw/zinc/25/62/43/572256243.db2.gz SMZIVQGSJKQGLY-MHZLTWQESA-N 1 1 556.154 5.916 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248249246 572257168 /nfs/dbraw/zinc/25/71/68/572257168.db2.gz ROTDXEFQIGLLJT-NVQXNPDNSA-N 1 1 501.568 6.187 50 0 KKAAMO C[C@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274433 572257790 /nfs/dbraw/zinc/25/77/90/572257790.db2.gz XQGNBFUTMDLDSY-RBBKRZOGSA-N 1 1 517.471 5.877 50 0 KKAAMO CCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000252011069 572259667 /nfs/dbraw/zinc/25/96/67/572259667.db2.gz SBTGKISUTXKMIF-OAQYLSRUSA-N 1 1 517.471 6.201 50 0 KKAAMO CCc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)cc1 ZINC000252020301 572259942 /nfs/dbraw/zinc/25/99/42/572259942.db2.gz YAOLLGJWWMSAFU-UHFFFAOYSA-N 1 1 517.471 6.201 50 0 KKAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cccc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C)Cc1ccccc1 ZINC000252586662 572265622 /nfs/dbraw/zinc/26/56/22/572265622.db2.gz RQLLBFHXZIPOAD-HALXNPGUSA-N 1 1 633.233 5.282 50 0 KKAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252587517 572266247 /nfs/dbraw/zinc/26/62/47/572266247.db2.gz YWMBPVDTEHODPQ-AXBJABAESA-N 1 1 639.624 5.444 50 0 KKAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000253388995 572283178 /nfs/dbraw/zinc/28/31/78/572283178.db2.gz RMQKOUFLMOVVOQ-NIYFSFCBSA-N 1 1 509.075 5.114 50 0 KKAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000253388995 572283179 /nfs/dbraw/zinc/28/31/79/572283179.db2.gz RMQKOUFLMOVVOQ-NIYFSFCBSA-N 1 1 509.075 5.114 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@H+](C)CC3)OCO2 ZINC000253499446 572293600 /nfs/dbraw/zinc/29/36/00/572293600.db2.gz HFVXXBWONQVENR-MNZHYVDFSA-N 1 1 535.725 5.852 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@H](O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@@H+](C)CC3)OCO2 ZINC000253499446 572293601 /nfs/dbraw/zinc/29/36/01/572293601.db2.gz HFVXXBWONQVENR-MNZHYVDFSA-N 1 1 535.725 5.852 50 0 KKAAMO CC(C)c1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000253607393 572300961 /nfs/dbraw/zinc/30/09/61/572300961.db2.gz QUVHGMSQBNXAKF-VWLOTQADSA-N 1 1 539.699 5.849 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101964918 1069838030 /nfs/dbraw/zinc/83/80/30/1069838030.db2.gz TUORCACQSBWQAY-HHHXNRCGSA-N 1 1 561.648 6.746 50 0 KKAAMO COc1ccc(/C=C/C(=O)N2CCC[C@@H](COc3cccc(C[NH+]4CCN(c5ccccc5F)CC4)c3)C2)cc1 ZINC000102701078 1069864161 /nfs/dbraw/zinc/86/41/61/1069864161.db2.gz NPQXVTKHSFORND-ZNKUEKHZSA-N 1 1 543.683 5.487 50 0 KKAAMO COc1ccc2[nH]cc(CCNC(=O)CCC[C@@H]3[C@H]4CCC[N@H+]5CCC[C@@H](CN3C(=O)c3ccccc3)[C@@H]45)c2c1 ZINC000257193658 1070975663 /nfs/dbraw/zinc/97/56/63/1070975663.db2.gz RVWXAMJINHIQNE-RJOCXUNNSA-N 1 1 542.724 5.021 50 0 KKAAMO C[N@@H+](Cc1cccs1)Cc1cccc(OC2CCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)CC2)c1 ZINC000299770240 1071048092 /nfs/dbraw/zinc/04/80/92/1071048092.db2.gz OIOSVFPXQONTIV-UHFFFAOYSA-N 1 1 506.647 5.398 50 0 KKAAMO C[N@H+](Cc1cccs1)Cc1cccc(OC2CCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)CC2)c1 ZINC000299770240 1071048096 /nfs/dbraw/zinc/04/80/96/1071048096.db2.gz OIOSVFPXQONTIV-UHFFFAOYSA-N 1 1 506.647 5.398 50 0 KKAAMO C[N@@H+](Cc1cccs1)Cc1cccc(OC2CCN(C(=O)CCc3nc4ccc(F)cc4[nH]3)CC2)c1 ZINC000299770240 1071048101 /nfs/dbraw/zinc/04/81/01/1071048101.db2.gz OIOSVFPXQONTIV-UHFFFAOYSA-N 1 1 506.647 5.398 50 0 KKAAMO CCOC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@H]3CCOC3)C2)CC1 ZINC000012282835 1071223906 /nfs/dbraw/zinc/22/39/06/1071223906.db2.gz SHLNAEADAZMPGD-QHCPKHFHSA-N 1 1 522.667 5.551 50 0 KKAAMO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@@H+](C)C4)c2)OCCN(Cc2nc4ccccc4n2C)C3)s1 ZINC000011784917 1071231624 /nfs/dbraw/zinc/23/16/24/1071231624.db2.gz ZBEDQHAAJJEJSQ-QFIPXVFZSA-N 1 1 516.711 5.725 50 0 KKAAMO COc1ccc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)cc1 ZINC000011881537 1071233122 /nfs/dbraw/zinc/23/31/22/1071233122.db2.gz JPWBERJMXKUKJK-LJAQVGFWSA-N 1 1 523.677 6.339 50 0 KKAAMO COc1ccc2ccccc2c1C[N@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)NCc1cccnc1 ZINC000011911371 1071233654 /nfs/dbraw/zinc/23/36/54/1071233654.db2.gz CJMQRTBHXPAIKN-AMGIVPHBSA-N 1 1 523.662 5.171 50 0 KKAAMO Cc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc(C[N@@H+](C)Cc5ccsc5)c4)CC3)cc2)cc1 ZINC000011982148 1071234619 /nfs/dbraw/zinc/23/46/19/1071234619.db2.gz FRTMLQDAVXGSKR-UHFFFAOYSA-N 1 1 510.703 7.039 50 0 KKAAMO CC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4csc5ccccc45)cc3OCCc3ccccn3)C2)CC1 ZINC000012182905 1071238322 /nfs/dbraw/zinc/23/83/22/1071238322.db2.gz MGBFVAYLYOHTSU-UHFFFAOYSA-N 1 1 527.690 5.790 50 0 KKAAMO CCOC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCCCO3)C2)CC1 ZINC000012327172 1071244546 /nfs/dbraw/zinc/24/45/46/1071244546.db2.gz PPQUALLNHMZHCB-DEOSSOPVSA-N 1 1 514.688 5.487 50 0 KKAAMO C[C@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc(Oc4cccnc4)cc3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257110 1071278094 /nfs/dbraw/zinc/27/80/94/1071278094.db2.gz RGZGHJLHOCJRGJ-IBGZPJMESA-N 1 1 596.075 5.305 50 0 KKAAMO C[C@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc(Oc4cccnc4)cc3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618257110 1071278109 /nfs/dbraw/zinc/27/81/09/1071278109.db2.gz RGZGHJLHOCJRGJ-IBGZPJMESA-N 1 1 596.075 5.305 50 0 KKAAMO Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(-c3ccc(Cl)c(Cl)c3)c2=O)c1 ZINC000254396292 1072852227 /nfs/dbraw/zinc/85/22/27/1072852227.db2.gz OPQHXFPZLRFJMX-UHFFFAOYSA-N 1 1 665.646 5.951 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2ccccn2)c(=O)n1-c1ccc(Cl)c(Cl)c1 ZINC000254825022 1072881748 /nfs/dbraw/zinc/88/17/48/1072881748.db2.gz WLYLZRZWKDYPMJ-UHFFFAOYSA-N 1 1 652.607 5.038 50 0 KKAAMO O=C(NC1CCCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014538019 1072891628 /nfs/dbraw/zinc/89/16/28/1072891628.db2.gz WESGOXIPSJRNEP-WIOPSUGQSA-N 1 1 510.600 6.435 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NC3CCCC3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014753660 1072891990 /nfs/dbraw/zinc/89/19/90/1072891990.db2.gz LWCTUTJHZXOAGL-LEWJYISDSA-N 1 1 520.592 5.299 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2ccccc2F)c1)Cc1cccc2cccnc21 ZINC000014879132 1072892087 /nfs/dbraw/zinc/89/20/87/1072892087.db2.gz JPBPHAFFSRHXKI-MHZLTWQESA-N 1 1 511.641 6.470 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2ccccc2F)c1)Cc1cccc2cccnc21 ZINC000014879133 1072892423 /nfs/dbraw/zinc/89/24/23/1072892423.db2.gz JPBPHAFFSRHXKI-HHHXNRCGSA-N 1 1 511.641 6.470 50 0 KKAAMO O=C(Cc1cccs1)N1CCC[C@@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000055109157 1072899241 /nfs/dbraw/zinc/89/92/41/1072899241.db2.gz FCSJFINNYPZBKL-XMMPIXPASA-N 1 1 507.675 5.070 50 0 KKAAMO C[C@H](c1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019801810 193885650 /nfs/dbraw/zinc/88/56/50/193885650.db2.gz OWCURUFWAGIKAW-MRXNPFEDSA-N 1 1 512.333 8.335 50 0 KKAAMO NS(=O)(=O)c1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 ZINC000001447624 551674523 /nfs/dbraw/zinc/67/45/23/551674523.db2.gz AMIXSUDPCKKTNX-UHFFFAOYSA-N 1 1 504.015 5.043 50 0 KKAAMO Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc1 ZINC000001785090 551698961 /nfs/dbraw/zinc/69/89/61/551698961.db2.gz DLMNYJUSHQNEOM-UHFFFAOYSA-N 1 1 579.615 7.980 50 0 KKAAMO O=C1C2[C@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)C1[C@H](c1ccc(Cl)cc1)[NH2+][C@@H]2c1ccc(Cl)cc1 ZINC000002182080 551785362 /nfs/dbraw/zinc/78/53/62/551785362.db2.gz UMRURHBFKPCEAV-YDUVBQQJSA-N 1 1 582.358 8.573 50 0 KKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000002246609 551799846 /nfs/dbraw/zinc/79/98/46/551799846.db2.gz BFIJFPAWGUSNGC-DHIUTWEWSA-N 1 1 509.766 6.046 50 0 KKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000002246607 551799853 /nfs/dbraw/zinc/79/98/53/551799853.db2.gz BFIJFPAWGUSNGC-XZOQPEGZSA-N 1 1 509.766 6.046 50 0 KKAAMO COc1ccc(Br)cc1[C@H]1Oc2ccccc2C2=C1[C@H](c1ccc(F)cc1)N1NC=NC1=[NH+]2 ZINC000002249014 551800857 /nfs/dbraw/zinc/80/08/57/551800857.db2.gz JCJHJIOCEZEFKB-BJKOFHAPSA-N 1 1 505.347 5.401 50 0 KKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000002509449 552126606 /nfs/dbraw/zinc/12/66/06/552126606.db2.gz NTYWGERTKQAINY-RPWUZVMVSA-N 1 1 505.803 6.215 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000002714728 552161457 /nfs/dbraw/zinc/16/14/57/552161457.db2.gz ZFVTVCNMOGGUAU-UHFFFAOYSA-N 1 1 510.641 7.730 50 0 KKAAMO COC(=O)c1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000002916824 552217692 /nfs/dbraw/zinc/21/76/92/552217692.db2.gz ZSLGNXDKVPFTKK-DNQXCXABSA-N 1 1 505.361 5.584 50 0 KKAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000003006969 552254326 /nfs/dbraw/zinc/25/43/26/552254326.db2.gz LUYBSPMNHYCRIL-UHFFFAOYSA-N 1 1 568.790 6.076 50 0 KKAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000003006969 552254327 /nfs/dbraw/zinc/25/43/27/552254327.db2.gz LUYBSPMNHYCRIL-UHFFFAOYSA-N 1 1 568.790 6.076 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)Cc1ccccc1 ZINC000003036002 552271500 /nfs/dbraw/zinc/27/15/00/552271500.db2.gz FFTXBYMEHSPZMO-TURZUDJPSA-N 1 1 562.508 5.633 50 0 KKAAMO CCCC[N@@H+](CC)CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(C)cc1)C(=O)c1ccccc1S2 ZINC000003040370 552272771 /nfs/dbraw/zinc/27/27/71/552272771.db2.gz VRRANXHGVNBDQR-UHFFFAOYSA-N 1 1 515.723 6.549 50 0 KKAAMO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[N@H+](C)C4CCCCC4)cc3)C2=O)c1 ZINC000003061358 552282359 /nfs/dbraw/zinc/28/23/59/552282359.db2.gz WPJOOZSCRNGBKU-AWSUPERCSA-N 1 1 553.772 7.059 50 0 KKAAMO CC(C)(c1ccccc1)c1ccc(OC[C@H](O)C[NH2+][C@H](Cc2ccccc2)c2nc(-c3ccccc3)no2)cc1 ZINC000003384382 552378700 /nfs/dbraw/zinc/37/87/00/552378700.db2.gz UCDNHFUYZOANNS-BVRKHOPBSA-N 1 1 533.672 6.376 50 0 KKAAMO O=c1[nH]c2ccccc2n1C1CC[NH+](Cc2ccc(-c3nc4cc5nc[nH]c5cc4nc3-c3ccccc3)cc2)CC1 ZINC000004846183 552488379 /nfs/dbraw/zinc/48/83/79/552488379.db2.gz BIWGYFZAEWGBAL-UHFFFAOYSA-N 1 1 551.654 6.320 50 0 in-vitro KKAAMO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc1 ZINC000006166832 552557225 /nfs/dbraw/zinc/55/72/25/552557225.db2.gz HTVRCDQWCSSXKK-UHFFFAOYSA-N 1 1 616.032 8.170 50 0 KKAAMO CCOC(=O)c1cc(NCC[N@@H+](C)C[C@H]2c3ccccc3C=Cc3ccc(Cl)cc32)c2c(Cl)cc(Cl)cc2n1 ZINC000008385953 552991537 /nfs/dbraw/zinc/99/15/37/552991537.db2.gz QHQIPBAICBCAPN-VWLOTQADSA-N 1 1 580.943 8.031 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000008583568 553080015 /nfs/dbraw/zinc/08/00/15/553080015.db2.gz FXPRKZKEPVACAU-RUZDIDTESA-N 1 1 580.150 5.718 50 0 KKAAMO O=C1N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722574 553130164 /nfs/dbraw/zinc/13/01/64/553130164.db2.gz DMKIWHQKMSUHRE-XMMPIXPASA-N 1 1 520.452 6.183 50 0 KKAAMO O=C1N[C@@H](c2ccc(-c3ccc(Br)cc3)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008722574 553130167 /nfs/dbraw/zinc/13/01/67/553130167.db2.gz DMKIWHQKMSUHRE-XMMPIXPASA-N 1 1 520.452 6.183 50 0 KKAAMO CC[C@H](C)[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433328 553263115 /nfs/dbraw/zinc/26/31/15/553263115.db2.gz FJAIBEYEPBUOIH-XDAJTCOGSA-N 1 1 521.727 6.085 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccccc1Cl ZINC000009473179 553270731 /nfs/dbraw/zinc/27/07/31/553270731.db2.gz PQFDANYFWBEJDC-OAQYLSRUSA-N 1 1 513.107 5.113 50 0 KKAAMO CCOC(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC1 ZINC000009531203 553277761 /nfs/dbraw/zinc/27/77/61/553277761.db2.gz AMMQXWWEDAJBDO-UHFFFAOYSA-N 1 1 506.404 5.129 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)sc3c2CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000009805431 553308619 /nfs/dbraw/zinc/30/86/19/553308619.db2.gz FEIXBLRUGKQWAP-RTBURBONSA-N 1 1 527.731 5.839 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@@H](C)C3)sc3c2CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000009805431 553308620 /nfs/dbraw/zinc/30/86/20/553308620.db2.gz FEIXBLRUGKQWAP-RTBURBONSA-N 1 1 527.731 5.839 50 0 KKAAMO CCOc1ccc(CN2c3cc(C(=O)N4CC[NH+](CC)CC4)ccc3Sc3ccccc3C2=O)cc1 ZINC000009833290 553309940 /nfs/dbraw/zinc/30/99/40/553309940.db2.gz UZFBSOFIWPLVQT-UHFFFAOYSA-N 1 1 501.652 5.175 50 0 KKAAMO CCOC(=O)C1CC[NH+]([C@@H](c2cc(CC)sc2NC(=O)c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000009971596 553322742 /nfs/dbraw/zinc/32/27/42/553322742.db2.gz XVAMQEUEBFOCMF-AREMUKBSSA-N 1 1 506.668 5.936 50 0 KKAAMO O=C(NCCc1ccccc1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](CCc2ccccc2)C1 ZINC000014748527 553520353 /nfs/dbraw/zinc/52/03/53/553520353.db2.gz ZBEKJGFFQHGWAN-IZZNHLLZSA-N 1 1 510.600 5.624 50 0 KKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCc2ccccc2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000014755233 553520460 /nfs/dbraw/zinc/52/04/60/553520460.db2.gz DPNPZXKJDPHUKH-WUFINQPMSA-N 1 1 509.625 5.415 50 0 KKAAMO COc1ccccc1C(=O)N1CCOc2c(cc(-c3ccc(C)s3)cc2OC[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000014988145 553523806 /nfs/dbraw/zinc/52/38/06/553523806.db2.gz NIDMXKANZRWMFV-OAQYLSRUSA-N 1 1 506.668 5.488 50 0 KKAAMO COc1ccc(-c2nc3ccc(C(=O)NCCC[N@H+]4CCCC[C@@H]4C)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827609 553537054 /nfs/dbraw/zinc/53/70/54/553537054.db2.gz IOJPXLYZXYCIKF-QFIPXVFZSA-N 1 1 524.665 5.975 50 0 KKAAMO COC(=O)c1ccccc1NC(=O)c1c2c(sc1NC(=O)C[NH+]1CCCCCC1)C[C@H](C(C)(C)C)CC2 ZINC000015946048 553544459 /nfs/dbraw/zinc/54/44/59/553544459.db2.gz BGRBJINMRRDDNB-LJQANCHMSA-N 1 1 525.715 5.753 50 0 KKAAMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946684 553544657 /nfs/dbraw/zinc/54/46/57/553544657.db2.gz DVNVDVJYBUKIHL-RXVVDRJESA-N 1 1 516.151 7.008 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@H](C(C)(C)C)C2 ZINC000015946684 553544658 /nfs/dbraw/zinc/54/46/58/553544658.db2.gz DVNVDVJYBUKIHL-RXVVDRJESA-N 1 1 516.151 7.008 50 0 KKAAMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@H](C(C)(C)C)C2 ZINC000015946711 553544731 /nfs/dbraw/zinc/54/47/31/553544731.db2.gz IWNNHZUAWFVNEH-PMACEKPBSA-N 1 1 541.758 6.372 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(OC)cc1OC)CC[C@H](C(C)(C)C)C2 ZINC000015946711 553544733 /nfs/dbraw/zinc/54/47/33/553544733.db2.gz IWNNHZUAWFVNEH-PMACEKPBSA-N 1 1 541.758 6.372 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)cc2)N3)C1 ZINC000015947273 553545032 /nfs/dbraw/zinc/54/50/32/553545032.db2.gz PCJZLEHPKDVDPF-NRFANRHFSA-N 1 1 502.423 6.081 50 0 KKAAMO O=C(C=Cc1ccco1)Oc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000015947360 553545388 /nfs/dbraw/zinc/54/53/88/553545388.db2.gz FADSTWKLRPRYGD-RTHIIRHPSA-N 1 1 511.603 5.947 50 0 KKAAMO O=C(C=Cc1ccco1)Oc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000015947360 553545390 /nfs/dbraw/zinc/54/53/90/553545390.db2.gz FADSTWKLRPRYGD-RTHIIRHPSA-N 1 1 511.603 5.947 50 0 KKAAMO Cc1cc2c(cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2Cc2ccccc2Cl)o1 ZINC000016567101 553567777 /nfs/dbraw/zinc/56/77/77/553567777.db2.gz XLPBDDKECMRLLK-UHFFFAOYSA-N 1 1 524.064 6.792 50 0 KKAAMO Cc1cc(Cc2cc(C)c(NC(=O)C[NH+]3CCCCC3)c(C)c2)cc(C)c1NC(=O)CN1CCCCC1 ZINC000016676172 553571695 /nfs/dbraw/zinc/57/16/95/553571695.db2.gz SCDHYLKBYJZCGN-UHFFFAOYSA-N 1 1 504.719 5.360 50 0 KKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000016712771 553574974 /nfs/dbraw/zinc/57/49/74/553574974.db2.gz CYPYXSUDJMURJD-UHFFFAOYSA-N 1 1 527.594 7.050 50 0 KKAAMO Cc1ccc(-n2ncc3c2ncnc3N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000017026056 553586540 /nfs/dbraw/zinc/58/65/40/553586540.db2.gz MQKADZVAIRWPQG-NDEPHWFRSA-N 1 1 509.057 5.997 50 0 KKAAMO Cc1ccc(-n2ncc3c2ncnc3N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000017026058 553586753 /nfs/dbraw/zinc/58/67/53/553586753.db2.gz MQKADZVAIRWPQG-MUUNZHRXSA-N 1 1 509.057 5.997 50 0 KKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C(F)(F)F)c3)C[C@H]2C)c1 ZINC000017123121 553588225 /nfs/dbraw/zinc/58/82/25/553588225.db2.gz JDGAPNVLODTFKW-JOCHJYFZSA-N 1 1 527.594 7.130 50 0 KKAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000017191575 553590065 /nfs/dbraw/zinc/59/00/65/553590065.db2.gz RPQBYVTWRDOWAF-HHHXNRCGSA-N 1 1 525.052 6.012 50 0 KKAAMO Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc2ccc(NC(=O)CCC(=O)N3CC[NH+](Cc4ccccc4)CC3)cc12 ZINC000020138696 553594406 /nfs/dbraw/zinc/59/44/06/553594406.db2.gz ZTCKQQLMVUILFT-DNQXCXABSA-N 1 1 527.713 5.089 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)[N@H+](C)CC3 ZINC000070669977 553599760 /nfs/dbraw/zinc/59/97/60/553599760.db2.gz YWNUNVSMOKMJMG-GDLZYMKVSA-N 1 1 636.745 6.987 50 0 biogenic KKAAMO COc1ccc2cc1Oc1ccc(cc1)CC1=NCCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000070669977 553599764 /nfs/dbraw/zinc/59/97/64/553599764.db2.gz YWNUNVSMOKMJMG-GDLZYMKVSA-N 1 1 636.745 6.987 50 0 biogenic KKAAMO C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c1)c1cc(Cl)ccc1O2 ZINC000020182124 553604555 /nfs/dbraw/zinc/60/45/55/553604555.db2.gz YYWJSNZWLKDULF-VAVYLYDRSA-N 1 1 517.029 5.068 50 0 KKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)cc1C ZINC000019760107 553615760 /nfs/dbraw/zinc/61/57/60/553615760.db2.gz BIKYXMIAKYGUDZ-UHFFFAOYSA-N 1 1 511.669 7.066 50 0 KKAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000070700615 553618863 /nfs/dbraw/zinc/61/88/63/553618863.db2.gz PZJDKLQOLQQWQS-MRPYTORDSA-N 1 1 535.644 5.105 50 0 biogenic KKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCC[N@H+](Cc2ccccc2)C(C)C)CC1 ZINC000020240752 553626702 /nfs/dbraw/zinc/62/67/02/553626702.db2.gz UPUFCVFUIYEDMC-UHFFFAOYSA-N 1 1 509.094 5.542 50 0 KKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCC[N@@H+](Cc2ccccc2)C(C)C)CC1 ZINC000020240752 553626705 /nfs/dbraw/zinc/62/67/05/553626705.db2.gz UPUFCVFUIYEDMC-UHFFFAOYSA-N 1 1 509.094 5.542 50 0 KKAAMO COc1ccc(-n2cnc3c2ncnc3N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000019926064 553633667 /nfs/dbraw/zinc/63/36/67/553633667.db2.gz VYTVMFBSFHYELN-HHHXNRCGSA-N 1 1 511.029 5.389 50 0 KKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000020355160 553640767 /nfs/dbraw/zinc/64/07/67/553640767.db2.gz WZUPHEDXXYWDIW-LJAKKAIASA-N 1 1 525.718 6.198 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355195 553641037 /nfs/dbraw/zinc/64/10/37/553641037.db2.gz WUTOPTZZKLYHRM-KWLUCORDSA-N 1 1 537.704 6.346 50 0 KKAAMO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc3NC2=O)cc1 ZINC000020355364 553641427 /nfs/dbraw/zinc/64/14/27/553641427.db2.gz VXUJZXKROHGZEU-TURZUDJPSA-N 1 1 530.669 5.162 50 0 KKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000072173310 553645300 /nfs/dbraw/zinc/64/53/00/553645300.db2.gz WBNPBXSTUXIXRN-CHZMNLISSA-N 1 1 550.124 5.519 50 0 KKAAMO O=C(OCc1ccccc1)N1c2ccccc2C[C@H]1C(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1 ZINC000020432007 553648347 /nfs/dbraw/zinc/64/83/47/553648347.db2.gz NLSVSWPSATXORV-HKBQPEDESA-N 1 1 529.640 5.669 50 0 KKAAMO CCC[N@@H+]1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000019997843 553652844 /nfs/dbraw/zinc/65/28/44/553652844.db2.gz KHBNDPQKZBMZNC-UHFFFAOYSA-N 1 1 518.708 5.563 50 0 KKAAMO CCC[N@H+]1CCc2c(sc3nc(SCC(=O)Nc4ccc(C)cc4)n(-c4ccc(C)cc4)c(=O)c32)C1 ZINC000019997843 553652845 /nfs/dbraw/zinc/65/28/45/553652845.db2.gz KHBNDPQKZBMZNC-UHFFFAOYSA-N 1 1 518.708 5.563 50 0 KKAAMO COc1ccc(C(=O)[C@H](C[C@@H](CN2CCCCC2)C(=O)c2ccc(OC)cc2)C[NH+]2CCCCC2)cc1 ZINC000020036352 553667764 /nfs/dbraw/zinc/66/77/64/553667764.db2.gz UIAMBVTUVXCGFO-MKPDMIMOSA-N 1 1 506.687 5.364 50 0 KKAAMO COc1ccc(C(=O)[C@H](C[C@@H](C[NH+]2CCCCC2)C(=O)c2ccc(OC)cc2)CN2CCCCC2)cc1 ZINC000020036352 553667766 /nfs/dbraw/zinc/66/77/66/553667766.db2.gz UIAMBVTUVXCGFO-MKPDMIMOSA-N 1 1 506.687 5.364 50 0 KKAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)cc2)CC1 ZINC000020508484 553668009 /nfs/dbraw/zinc/66/80/09/553668009.db2.gz XOMYJDZULCAASN-VMPREFPWSA-N 1 1 530.738 5.461 50 0 KKAAMO COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N@H+]4C)cc3)c1)N(C)CC2 ZINC000085492224 553682510 /nfs/dbraw/zinc/68/25/10/553682510.db2.gz BURJAQFYNVMZDV-FIRIVFDPSA-N 1 1 610.751 6.459 50 0 biogenic,in-vitro KKAAMO COc1cc2c(cc1O)[C@@H](Cc1ccc(O)c(Oc3ccc(C[C@@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc3)c1)N(C)CC2 ZINC000085492224 553682512 /nfs/dbraw/zinc/68/25/12/553682512.db2.gz BURJAQFYNVMZDV-FIRIVFDPSA-N 1 1 610.751 6.459 50 0 biogenic,in-vitro KKAAMO COc1ccc(-n2ncc3c2ncnc3N2CC[NH+]([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000020646439 553685281 /nfs/dbraw/zinc/68/52/81/553685281.db2.gz MMUQYUAKOMZURV-HHHXNRCGSA-N 1 1 511.029 5.389 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccccc2)C1=O)Cc1ccccc1 ZINC000020726987 553690666 /nfs/dbraw/zinc/69/06/66/553690666.db2.gz LLLCHGGJORVNLK-IADYIPOJSA-N 1 1 513.707 5.975 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN2C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)Sc3ccccc32)C1 ZINC000020727910 553690998 /nfs/dbraw/zinc/69/09/98/553690998.db2.gz BEPMNOXZHSQAHN-CSGQPYJXSA-N 1 1 531.644 5.669 50 0 KKAAMO C[N@@H+](CCCN(Cc1cccn1C1CCCC1)C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000020734487 553693261 /nfs/dbraw/zinc/69/32/61/553693261.db2.gz YRLZVNRQVNALDS-UHFFFAOYSA-N 1 1 505.534 7.599 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000020736672 553694077 /nfs/dbraw/zinc/69/40/77/553694077.db2.gz CEZPJMIXRVXWQZ-ZXVVBBHZSA-N 1 1 518.082 5.798 50 0 KKAAMO C[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(C(=O)c4ccccc4)c(=O)c32)C1 ZINC000020827834 553698916 /nfs/dbraw/zinc/69/89/16/553698916.db2.gz LFZLOPCNEBBRHR-UHFFFAOYSA-N 1 1 516.475 5.734 50 0 KKAAMO C[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(C(=O)c4ccccc4)c(=O)c32)C1 ZINC000020827834 553698919 /nfs/dbraw/zinc/69/89/19/553698919.db2.gz LFZLOPCNEBBRHR-UHFFFAOYSA-N 1 1 516.475 5.734 50 0 KKAAMO C[N@@H+](CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1)C1CCCCC1 ZINC000021162197 553708303 /nfs/dbraw/zinc/70/83/03/553708303.db2.gz WBXYGSVWCAXCFO-UHFFFAOYSA-N 1 1 505.682 5.211 50 0 KKAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1 ZINC000021162394 553708663 /nfs/dbraw/zinc/70/86/63/553708663.db2.gz KSSDXBHYCAEREA-ZRZAMGCNSA-N 1 1 505.682 5.209 50 0 KKAAMO O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000021236644 553709243 /nfs/dbraw/zinc/70/92/43/553709243.db2.gz FKMVJGORMDMSSW-UHFFFAOYSA-N 1 1 504.659 6.148 50 0 KKAAMO O=C(/C=C/c1ccc(F)cc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 ZINC000021525749 553710401 /nfs/dbraw/zinc/71/04/01/553710401.db2.gz OMNPSDIOMKSNIY-DTQAZKPQSA-N 1 1 503.581 5.589 50 0 KKAAMO COc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C)c3)CC2)cc1 ZINC000021796712 553717293 /nfs/dbraw/zinc/71/72/93/553717293.db2.gz IBWRLPWWWMMCOG-UHFFFAOYSA-N 1 1 503.606 5.367 50 0 KKAAMO O=C(c1ccc(F)cc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000021796783 553717335 /nfs/dbraw/zinc/71/73/35/553717335.db2.gz ZDNFYXYTWOPVAL-UHFFFAOYSA-N 1 1 511.988 5.842 50 0 KKAAMO Cc1cccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3C)CC2)c1 ZINC000021796658 553717461 /nfs/dbraw/zinc/71/74/61/553717461.db2.gz WWQRWAAYHUHANA-UHFFFAOYSA-N 1 1 517.633 5.432 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000096277073 553733969 /nfs/dbraw/zinc/73/39/69/553733969.db2.gz SPZQGDCWQVFNLC-NDEPHWFRSA-N 1 1 533.638 6.703 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)CCc4ccccc4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000096278865 553735404 /nfs/dbraw/zinc/73/54/04/553735404.db2.gz ZUIUHHGZPXIIPX-UHFFFAOYSA-N 1 1 512.629 5.178 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4cccs4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000096278966 553735718 /nfs/dbraw/zinc/73/57/18/553735718.db2.gz YHMVYKPYWWJFCJ-UHFFFAOYSA-N 1 1 528.722 6.079 50 0 KKAAMO CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCC[N@@H+](Cc4ccccc4C(F)(F)F)CC3)nc2)cc1 ZINC000096281047 553737196 /nfs/dbraw/zinc/73/71/96/553737196.db2.gz IXQVZDUIGNXCBA-UHFFFAOYSA-N 1 1 510.604 6.363 50 0 KKAAMO Fc1ccc(OCC[NH+]2CCN([C@@H]3Cc4ccc(Cl)cc4Sc4ccc(Cl)cc43)CC2)cc1 ZINC000096593937 553756707 /nfs/dbraw/zinc/75/67/07/553756707.db2.gz WJFVWSMPUNYCOB-XMMPIXPASA-N 1 1 503.470 6.578 50 0 KKAAMO O[C@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 ZINC000022873399 553766235 /nfs/dbraw/zinc/76/62/35/553766235.db2.gz VHVJBTKSEFANSC-UIOOFZCWSA-N 1 1 611.584 5.705 50 0 KKAAMO CN1CC[NH+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000022947467 553768782 /nfs/dbraw/zinc/76/87/82/553768782.db2.gz NELFVCYPOVDLKP-XHLNEMQHSA-N 1 1 561.151 5.387 50 0 KKAAMO O=C(COCc1ccccc1)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023335454 553773857 /nfs/dbraw/zinc/77/38/57/553773857.db2.gz WBXHINYFCTVEAF-UHFFFAOYSA-N 1 1 527.492 5.851 50 0 KKAAMO O=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097948106 553791276 /nfs/dbraw/zinc/79/12/76/553791276.db2.gz RNHWLBHJBIFWKC-UHFFFAOYSA-N 1 1 552.505 7.756 50 0 KKAAMO CC(C)(C)c1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000097948936 553797920 /nfs/dbraw/zinc/79/79/20/553797920.db2.gz IGMWMJGWBSRNEL-UHFFFAOYSA-N 1 1 618.619 8.509 50 0 KKAAMO CC(C)(C)c1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4)nc4ccc(Br)cc43)CC2)cc1 ZINC000097949326 553801396 /nfs/dbraw/zinc/80/13/96/553801396.db2.gz DHALUBUJDVZXNB-UHFFFAOYSA-N 1 1 542.521 6.920 50 0 KKAAMO Cc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)c3cc(Br)ccc3n2)c1 ZINC000097949334 553801445 /nfs/dbraw/zinc/80/14/45/553801445.db2.gz YMORAWQPBSRCCC-UHFFFAOYSA-N 1 1 556.548 7.228 50 0 KKAAMO Cc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(C(C)C)cc4)CC3)c3cc(Br)ccc3n2)c1 ZINC000097949332 553801462 /nfs/dbraw/zinc/80/14/62/553801462.db2.gz XIFHBZCAROFYSD-UHFFFAOYSA-N 1 1 542.521 7.054 50 0 KKAAMO Cc1nc(SCc2cccc(C(=O)NCc3ccccc3)c2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097955960 553835197 /nfs/dbraw/zinc/83/51/97/553835197.db2.gz RGDIKEIJUDSUJE-MHWRWJLKSA-N 1 1 563.771 6.151 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097957489 553846275 /nfs/dbraw/zinc/84/62/75/553846275.db2.gz KWJQBJTVWLCZIT-UHFFFAOYSA-N 1 1 540.736 5.294 50 0 KKAAMO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000097963381 553889313 /nfs/dbraw/zinc/88/93/13/553889313.db2.gz CVAIQWZNGNUDNR-UHFFFAOYSA-N 1 1 574.753 6.090 50 0 KKAAMO CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000097963381 553889314 /nfs/dbraw/zinc/88/93/14/553889314.db2.gz CVAIQWZNGNUDNR-UHFFFAOYSA-N 1 1 574.753 6.090 50 0 KKAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](C)C4)cc2)C[C@H](C)O1 ZINC000097963388 553889332 /nfs/dbraw/zinc/88/93/32/553889332.db2.gz RCMMOAPBPSYXIP-HDICACEKSA-N 1 1 582.773 5.063 50 0 KKAAMO C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](C)C4)cc2)C[C@H](C)O1 ZINC000097963388 553889334 /nfs/dbraw/zinc/88/93/34/553889334.db2.gz RCMMOAPBPSYXIP-HDICACEKSA-N 1 1 582.773 5.063 50 0 KKAAMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963494 553891158 /nfs/dbraw/zinc/89/11/58/553891158.db2.gz LWKNNTYVYWHZKU-DNQXCXABSA-N 1 1 656.899 7.502 50 0 KKAAMO C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963494 553891159 /nfs/dbraw/zinc/89/11/59/553891159.db2.gz LWKNNTYVYWHZKU-DNQXCXABSA-N 1 1 656.899 7.502 50 0 KKAAMO O=C(CN(Cc1ccc(Br)cc1)S(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033355588 553935816 /nfs/dbraw/zinc/93/58/16/553935816.db2.gz UZKKTKBGSUKZEJ-UHFFFAOYSA-N 1 1 618.597 5.574 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCCC[N@H+]3CCc4ccccc4C3)cnn2-c2ccccc2Cl)CC1 ZINC000033355774 553937001 /nfs/dbraw/zinc/93/70/01/553937001.db2.gz KMVIDYGWXWOJPA-UHFFFAOYSA-N 1 1 578.157 5.818 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000033357267 553947471 /nfs/dbraw/zinc/94/74/71/553947471.db2.gz AFENDXGDVAFBSC-HYBKPFBVSA-N 1 1 541.047 6.302 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000033357267 553947467 /nfs/dbraw/zinc/94/74/67/553947467.db2.gz AFENDXGDVAFBSC-HYBKPFBVSA-N 1 1 541.047 6.302 50 0 KKAAMO COc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)CC2)c1 ZINC000033358002 553952789 /nfs/dbraw/zinc/95/27/89/553952789.db2.gz DUGPHPIWTSIATA-UHFFFAOYSA-N 1 1 540.465 6.185 50 0 KKAAMO Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3N2)cc1 ZINC000033358599 553957081 /nfs/dbraw/zinc/95/70/81/553957081.db2.gz SZQXHLKSXDMJKW-XTEPFMGCSA-N 1 1 559.636 6.399 50 0 KKAAMO Cc1cccc([C@@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cn(C)c3ccccc23)c1 ZINC000033690773 553968168 /nfs/dbraw/zinc/96/81/68/553968168.db2.gz OLZYCKILIGSCPD-JGCGQSQUSA-N 1 1 527.712 6.943 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000033905917 553976337 /nfs/dbraw/zinc/97/63/37/553976337.db2.gz FTKWEAPMPISEDC-BSKIJULFSA-N 1 1 518.032 7.359 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667441 553981665 /nfs/dbraw/zinc/98/16/65/553981665.db2.gz BNXKOUINDZOVPG-AJQTZOPKSA-N 1 1 526.627 6.586 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667441 553981669 /nfs/dbraw/zinc/98/16/69/553981669.db2.gz BNXKOUINDZOVPG-AJQTZOPKSA-N 1 1 526.627 6.586 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667440 553981756 /nfs/dbraw/zinc/98/17/56/553981756.db2.gz BNXKOUINDZOVPG-ZWXJPIIXSA-N 1 1 526.627 6.586 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667440 553981753 /nfs/dbraw/zinc/98/17/53/553981753.db2.gz BNXKOUINDZOVPG-ZWXJPIIXSA-N 1 1 526.627 6.586 50 0 KKAAMO Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)c1 ZINC000034667505 553982183 /nfs/dbraw/zinc/98/21/83/553982183.db2.gz GWRYAXPYSNTRMW-GPNASLBKSA-N 1 1 508.637 6.366 50 0 KKAAMO Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)[C@@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)c1 ZINC000034667505 553982185 /nfs/dbraw/zinc/98/21/85/553982185.db2.gz GWRYAXPYSNTRMW-GPNASLBKSA-N 1 1 508.637 6.366 50 0 KKAAMO COc1ccc(Cl)cc1N1CC[NH+](Cc2cccc(C(=O)NCc3cccc(C(F)(F)F)c3)c2)CC1 ZINC000034668204 553982205 /nfs/dbraw/zinc/98/22/05/553982205.db2.gz GPFGFRFYLOHDGP-UHFFFAOYSA-N 1 1 517.979 5.620 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671711 553982613 /nfs/dbraw/zinc/98/26/13/553982613.db2.gz UABWLVIVSKWJTJ-SAIUNTKASA-N 1 1 522.664 6.756 50 0 KKAAMO COc1ccc(N(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000034683749 553986351 /nfs/dbraw/zinc/98/63/51/553986351.db2.gz LNMWOYVHPFJQRS-UHFFFAOYSA-N 1 1 519.038 5.356 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699124 553991774 /nfs/dbraw/zinc/99/17/74/553991774.db2.gz QBHQFXCSRWJHIQ-RPLLCQBOSA-N 1 1 513.579 6.254 50 0 KKAAMO CC(C)N(C[C@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699151 553992278 /nfs/dbraw/zinc/99/22/78/553992278.db2.gz XSLRPMKHGXJIJI-SHQCIBLASA-N 1 1 504.612 6.991 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034788098 554005410 /nfs/dbraw/zinc/00/54/10/554005410.db2.gz UFGZUXARNCHKHZ-HKBQPEDESA-N 1 1 529.750 5.721 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034788098 554005407 /nfs/dbraw/zinc/00/54/07/554005407.db2.gz UFGZUXARNCHKHZ-HKBQPEDESA-N 1 1 529.750 5.721 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3Cl)[C@H](C)C2)cc1 ZINC000034829713 554012691 /nfs/dbraw/zinc/01/26/91/554012691.db2.gz MOXXCNGBANLRTH-HRFSGMKKSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3Cl)[C@H](C)C2)cc1 ZINC000034829713 554012694 /nfs/dbraw/zinc/01/26/94/554012694.db2.gz MOXXCNGBANLRTH-HRFSGMKKSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000034829835 554012982 /nfs/dbraw/zinc/01/29/82/554012982.db2.gz OESAUUDLLVJPKU-DJUQAAIZSA-N 1 1 529.750 5.675 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000034829835 554012986 /nfs/dbraw/zinc/01/29/86/554012986.db2.gz OESAUUDLLVJPKU-DJUQAAIZSA-N 1 1 529.750 5.675 50 0 KKAAMO O=C(CC[N@H+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034830072 554014483 /nfs/dbraw/zinc/01/44/83/554014483.db2.gz JYPNYUVXDPUTTN-HHHXNRCGSA-N 1 1 508.087 5.114 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000034830120 554014474 /nfs/dbraw/zinc/01/44/74/554014474.db2.gz MGLFGDLKKIEGCG-DLLPINGYSA-N 1 1 529.750 5.801 50 0 KKAAMO Cc1ccccc1C(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000034830400 554015770 /nfs/dbraw/zinc/01/57/70/554015770.db2.gz LUQQPNLBSSZAGB-NEKDWFFYSA-N 1 1 501.696 5.076 50 0 KKAAMO CCN1CCN(c2c(C[N@H+](Cc3ccccc3C(F)(F)F)CC(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835959 554020344 /nfs/dbraw/zinc/02/03/44/554020344.db2.gz QQSKNLRYSAMJAJ-UHFFFAOYSA-N 1 1 531.642 6.139 50 0 KKAAMO CCN1CCN(c2c(C[N@@H+](Cc3ccccc3C(F)(F)F)CC(C)C)c(C)nn2-c2cccc(F)c2)CC1 ZINC000034835959 554020341 /nfs/dbraw/zinc/02/03/41/554020341.db2.gz QQSKNLRYSAMJAJ-UHFFFAOYSA-N 1 1 531.642 6.139 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2S(=O)(=O)N[C@@H]2CCCc3ccccc32)CC1 ZINC000034919611 554030839 /nfs/dbraw/zinc/03/08/39/554030839.db2.gz YUFOLJPSUCPKCM-HHHXNRCGSA-N 1 1 538.758 5.093 50 0 KKAAMO CCCCN1C(=O)c2ccccc2[C@@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000034927641 554032533 /nfs/dbraw/zinc/03/25/33/554032533.db2.gz CLGBAPZXVFQIEW-WDYNHAJCSA-N 1 1 516.085 5.765 50 0 KKAAMO O=C(c1nn2c(c1Br)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097999766 554045681 /nfs/dbraw/zinc/04/56/81/554045681.db2.gz XCTSLVYLKJWXSJ-JTHBVZDNSA-N 1 1 614.466 6.446 50 0 KKAAMO O=C(c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098000212 554049298 /nfs/dbraw/zinc/04/92/98/554049298.db2.gz AGSSNEHRDBAQIA-LOSJGSFVSA-N 1 1 580.054 6.744 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2)CC[N@@H+](C)C4)cc1 ZINC000035427167 554050667 /nfs/dbraw/zinc/05/06/67/554050667.db2.gz HHYIBPPZMKETJT-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2)CC[N@H+](C)C4)cc1 ZINC000035427167 554050663 /nfs/dbraw/zinc/05/06/63/554050663.db2.gz HHYIBPPZMKETJT-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000035427150 554050741 /nfs/dbraw/zinc/05/07/41/554050741.db2.gz XETLFIOAVRZCCX-NDEPHWFRSA-N 1 1 528.678 6.071 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000035427150 554050744 /nfs/dbraw/zinc/05/07/44/554050744.db2.gz XETLFIOAVRZCCX-NDEPHWFRSA-N 1 1 528.678 6.071 50 0 KKAAMO CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(OC)cc2)C[N@H+](C)CC4)cc1 ZINC000035427124 554050788 /nfs/dbraw/zinc/05/07/88/554050788.db2.gz DBGJGHJISFZVPM-NDEPHWFRSA-N 1 1 512.679 6.235 50 0 KKAAMO CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(OC)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427124 554050785 /nfs/dbraw/zinc/05/07/85/554050785.db2.gz DBGJGHJISFZVPM-NDEPHWFRSA-N 1 1 512.679 6.235 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2F)CC[N@H+](C)C4)cc1 ZINC000035427180 554051092 /nfs/dbraw/zinc/05/10/92/554051092.db2.gz KTFRPVLBLKAFQA-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2F)CC[N@@H+](C)C4)cc1 ZINC000035427180 554051095 /nfs/dbraw/zinc/05/10/95/554051095.db2.gz KTFRPVLBLKAFQA-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(OC)c2)C[N@H+](C)CC4)c1 ZINC000035427286 554051456 /nfs/dbraw/zinc/05/14/56/554051456.db2.gz PMAHMLXKLVWNJN-MHZLTWQESA-N 1 1 514.651 5.681 50 0 KKAAMO Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000035427254 554051464 /nfs/dbraw/zinc/05/14/64/554051464.db2.gz XLSRITRIBBJJMA-SANMLTNESA-N 1 1 521.061 6.765 50 0 KKAAMO COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(OC)c2)C[N@@H+](C)CC4)c1 ZINC000035427286 554051453 /nfs/dbraw/zinc/05/14/53/554051453.db2.gz PMAHMLXKLVWNJN-MHZLTWQESA-N 1 1 514.651 5.681 50 0 KKAAMO Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000035427254 554051468 /nfs/dbraw/zinc/05/14/68/554051468.db2.gz XLSRITRIBBJJMA-SANMLTNESA-N 1 1 521.061 6.765 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(C)c2C)CC[N@H+](C)C4)c1 ZINC000035427295 554051798 /nfs/dbraw/zinc/05/17/98/554051798.db2.gz IXJHWJATCJOSTL-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(C)c2C)CC[N@@H+](C)C4)c1 ZINC000035427295 554051799 /nfs/dbraw/zinc/05/17/99/554051799.db2.gz IXJHWJATCJOSTL-NDEPHWFRSA-N 1 1 512.679 6.289 50 0 KKAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccco2)nc2ccccc21)NCc1cccc(C(F)(F)F)c1 ZINC000098009808 554071399 /nfs/dbraw/zinc/07/13/99/554071399.db2.gz OXCGYIAUDDERFZ-UHFFFAOYSA-N 1 1 567.612 5.144 50 0 KKAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccc(F)cc2)nc2ccccc21)Nc1cccc(F)c1 ZINC000098009809 554071432 /nfs/dbraw/zinc/07/14/32/554071432.db2.gz PNRLASYHDMBPQE-UHFFFAOYSA-N 1 1 531.607 5.133 50 0 KKAAMO COc1ccc(-c2nc3ccccc3c(N(CCC[NH+]3CCOCC3)CCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 ZINC000098009828 554071569 /nfs/dbraw/zinc/07/15/69/554071569.db2.gz RULCGDAKULMOAS-VWLOTQADSA-N 1 1 553.707 5.102 50 0 KKAAMO COc1ccc(-c2nc3ccccc3c(N(CCC[NH+]3CCOCC3)CCC(=O)N[C@H](C)c3ccccc3)n2)cc1 ZINC000098009829 554071620 /nfs/dbraw/zinc/07/16/20/554071620.db2.gz RULCGDAKULMOAS-RUZDIDTESA-N 1 1 553.707 5.102 50 0 KKAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)N1CCN(c2ccccc2F)CC1 ZINC000098009855 554071642 /nfs/dbraw/zinc/07/16/42/554071642.db2.gz RKSCZCAVTCSZNK-UHFFFAOYSA-N 1 1 617.169 5.357 50 0 KKAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)NCc1cccc(C(F)(F)F)c1 ZINC000098009860 554072109 /nfs/dbraw/zinc/07/21/09/554072109.db2.gz IXEATCDLEGQGDA-UHFFFAOYSA-N 1 1 612.096 6.204 50 0 KKAAMO CCc1ccccc1-n1nc(C(C)(C)C)c2c1N(CC(=O)N1CC[NH+](CC)CC1)C(=O)CS[C@H]2c1ccc(OC)cc1 ZINC000098010854 554075272 /nfs/dbraw/zinc/07/52/72/554075272.db2.gz YQMNRBYDUAGIBG-PMERELPUSA-N 1 1 589.806 5.074 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000035842575 554080912 /nfs/dbraw/zinc/08/09/12/554080912.db2.gz IYXBNZXIMFGNHV-MUUNZHRXSA-N 1 1 521.746 5.535 50 0 KKAAMO CC(C)COC[C@@H](O)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000035842594 554081083 /nfs/dbraw/zinc/08/10/83/554081083.db2.gz WTHGOCHRDRLTCG-PMERELPUSA-N 1 1 549.800 6.028 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)C(C)C ZINC000035842593 554081198 /nfs/dbraw/zinc/08/11/98/554081198.db2.gz OWCCRSJRXLJGMQ-SSEXGKCCSA-N 1 1 505.747 6.012 50 0 KKAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000035851772 554083546 /nfs/dbraw/zinc/08/35/46/554083546.db2.gz MKOVLHWHLGIGET-OIUQCLNLSA-N 1 1 504.627 5.172 50 0 KKAAMO COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000035851772 554083549 /nfs/dbraw/zinc/08/35/49/554083549.db2.gz MKOVLHWHLGIGET-OIUQCLNLSA-N 1 1 504.627 5.172 50 0 KKAAMO Cc1nn(-c2ccccc2)c2nc(Cc3ccc(C)cc3)nc(N3CCC[N@@H+](Cc4ccc(F)cc4)CC3)c12 ZINC000035924711 554097386 /nfs/dbraw/zinc/09/73/86/554097386.db2.gz QXFRBRVOKCCXKH-UHFFFAOYSA-N 1 1 520.656 5.875 50 0 KKAAMO CCCCCc1ccc(C(=O)N(CCC[NH+]2CCOCC2)CC(=O)N(Cc2ccco2)Cc2ccc3c(c2)OCO3)cc1 ZINC000098017838 554110500 /nfs/dbraw/zinc/11/05/00/554110500.db2.gz VXJPERWWXPQGCN-UHFFFAOYSA-N 1 1 589.733 5.135 50 0 KKAAMO CCCC[N@@H+](CCCC(=O)OCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000098020064 554116128 /nfs/dbraw/zinc/11/61/28/554116128.db2.gz NCVYKMUGQGNNGD-UHFFFAOYSA-N 1 1 546.539 6.491 50 0 KKAAMO CCc1cccc2c([C@H](CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000098021398 554118428 /nfs/dbraw/zinc/11/84/28/554118428.db2.gz YKFYHRMKBFWPNF-VCTRWQRLSA-N 1 1 551.775 7.919 50 0 KKAAMO COc1ccccc1[C@H](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000098021554 554119467 /nfs/dbraw/zinc/11/94/67/554119467.db2.gz RKZPDCHDPDELCY-HKBQPEDESA-N 1 1 543.711 6.643 50 0 KKAAMO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccc(C(C)(C)C)cc4)nc4ccc(Br)cc43)CC2)cc1 ZINC000098042733 554121747 /nfs/dbraw/zinc/12/17/47/554121747.db2.gz KAFLAFNHENBCBK-UHFFFAOYSA-N 1 1 570.575 7.482 50 0 KKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)c(C(=O)N2CCCC2)c1)c1ccccc1Cl ZINC000035993496 554127033 /nfs/dbraw/zinc/12/70/33/554127033.db2.gz RMNSHEXARPZMQW-UHFFFAOYSA-N 1 1 521.036 5.290 50 0 KKAAMO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C[C@@H](O)Cn2c3ccc(Br)cc3c3cc(Br)cc(Br)c32)CC1 ZINC000098043739 554128611 /nfs/dbraw/zinc/12/86/11/554128611.db2.gz IFUTVBBIKMJMLR-JWQCQUIFSA-N 1 1 769.376 7.230 50 0 KKAAMO O[C@@H](Cn1c2ccccc2c(-c2ccccc2)c1-c1ccccc1)C[NH+]1CCN(C[C@H](O)Cn2c3ccccc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048144 554159760 /nfs/dbraw/zinc/15/97/60/554159760.db2.gz FDKBURXQUBAXRF-ZRKBJOGQSA-N 1 1 736.960 9.304 50 0 KKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1cc(OC)cc(OC)c1 ZINC000036167642 554200072 /nfs/dbraw/zinc/20/00/72/554200072.db2.gz OVAGYCCPIBGTDU-UHFFFAOYSA-N 1 1 507.577 6.271 50 0 KKAAMO OC(c1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000036203036 554200717 /nfs/dbraw/zinc/20/07/17/554200717.db2.gz QZSGZVHYZINOKQ-MHZLTWQESA-N 1 1 507.552 6.162 50 0 KKAAMO OC(c1ccc(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)o1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000036203036 554200719 /nfs/dbraw/zinc/20/07/19/554200719.db2.gz QZSGZVHYZINOKQ-MHZLTWQESA-N 1 1 507.552 6.162 50 0 KKAAMO Cc1ccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@@H]2CCCO2)s1 ZINC000036203569 554201003 /nfs/dbraw/zinc/20/10/03/554201003.db2.gz DXPUSPURZQTAJZ-VWLOTQADSA-N 1 1 509.618 6.393 50 0 KKAAMO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@@H]2CCCO2)s1 ZINC000036203569 554201008 /nfs/dbraw/zinc/20/10/08/554201008.db2.gz DXPUSPURZQTAJZ-VWLOTQADSA-N 1 1 509.618 6.393 50 0 KKAAMO Cc1ccc(-c2csc3[nH]c(C[N@H+](CC(C)C)C[C@@H](O)COc4ccccc4C)nc(=O)c23)cc1C ZINC000036207567 554202578 /nfs/dbraw/zinc/20/25/78/554202578.db2.gz AROOQDWVQRQWCT-HSZRJFAPSA-N 1 1 505.684 5.475 50 0 KKAAMO Cc1ccc(-c2csc3[nH]c(C[N@@H+](CC(C)C)C[C@@H](O)COc4ccccc4C)nc(=O)c23)cc1C ZINC000036207567 554202580 /nfs/dbraw/zinc/20/25/80/554202580.db2.gz AROOQDWVQRQWCT-HSZRJFAPSA-N 1 1 505.684 5.475 50 0 KKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)[C@@H](C)CC ZINC000036301650 554211496 /nfs/dbraw/zinc/21/14/96/554211496.db2.gz QIMXNGXATPZSKZ-CVDCTZTESA-N 1 1 502.055 5.633 50 0 KKAAMO Cc1nn(-c2ccc(Cl)cc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036301899 554212040 /nfs/dbraw/zinc/21/20/40/554212040.db2.gz RLQAOBIKYFYYJR-HHHXNRCGSA-N 1 1 502.058 6.442 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036303587 554213726 /nfs/dbraw/zinc/21/37/26/554213726.db2.gz XSYUWKVVUQOOHB-SANMLTNESA-N 1 1 502.058 6.442 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)COc1ccccc1C)CC1CC1 ZINC000036304911 554214797 /nfs/dbraw/zinc/21/47/97/554214797.db2.gz FLDVMXRNQGQICX-MUUNZHRXSA-N 1 1 511.666 6.242 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305210 554215026 /nfs/dbraw/zinc/21/50/26/554215026.db2.gz VXMCGLDDECJFSE-AREMUKBSSA-N 1 1 502.058 6.348 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)COc2ccccc2)CC2CC2)c1Oc1ccccc1F ZINC000036306854 554215745 /nfs/dbraw/zinc/21/57/45/554215745.db2.gz AHHOTCCTJRLSRD-DEOSSOPVSA-N 1 1 501.602 5.670 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307310 554216211 /nfs/dbraw/zinc/21/62/11/554216211.db2.gz JESFAUWINSYGDE-AREMUKBSSA-N 1 1 515.629 5.979 50 0 KKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036307548 554216225 /nfs/dbraw/zinc/21/62/25/554216225.db2.gz SSARQQZPHSUXDB-AREMUKBSSA-N 1 1 503.618 5.807 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)c1Oc1ccccc1 ZINC000036308125 554216771 /nfs/dbraw/zinc/21/67/71/554216771.db2.gz TWGCTVNHSHIXGT-XMMPIXPASA-N 1 1 513.594 5.645 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)c1Oc1ccccc1 ZINC000036308125 554216774 /nfs/dbraw/zinc/21/67/74/554216774.db2.gz TWGCTVNHSHIXGT-XMMPIXPASA-N 1 1 513.594 5.645 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036313979 554219369 /nfs/dbraw/zinc/21/93/69/554219369.db2.gz AYIYLRIOAIWQDC-RSXGOPAZSA-N 1 1 511.638 5.177 50 0 KKAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3OC)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036344393 554223000 /nfs/dbraw/zinc/22/30/00/554223000.db2.gz BHAPFWKASLYUIO-LJAQVGFWSA-N 1 1 527.665 5.345 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(C)cc2)c1C[N@@H+](C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000036345939 554223646 /nfs/dbraw/zinc/22/36/46/554223646.db2.gz UWYYHCRJUNLKNW-LJAQVGFWSA-N 1 1 511.666 6.071 50 0 KKAAMO Cc1cccc(Nc2nc(N)nc(CSC(=S)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)c1C ZINC000100119802 554224128 /nfs/dbraw/zinc/22/41/28/554224128.db2.gz ZMQSSBAIONZTAH-UHFFFAOYSA-N 1 1 555.777 5.740 50 0 KKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000036628566 554229272 /nfs/dbraw/zinc/22/92/72/554229272.db2.gz GHLLTQNEATWSRF-UHFFFAOYSA-N 1 1 524.024 5.712 50 0 KKAAMO COc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3OC)CC2)cc1 ZINC000036628545 554229299 /nfs/dbraw/zinc/22/92/99/554229299.db2.gz GPCGLHFDNFCREY-UHFFFAOYSA-N 1 1 519.605 5.067 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2c2ccccc2)cc1 ZINC000037524400 554250354 /nfs/dbraw/zinc/25/03/54/554250354.db2.gz NUXSDKUBJGTUSZ-XRKRLSELSA-N 1 1 508.628 7.028 50 0 KKAAMO Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000038146204 554269593 /nfs/dbraw/zinc/26/95/93/554269593.db2.gz ABZPZZXSHCGVQI-RDGATRHJSA-N 1 1 529.584 5.263 50 0 KKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000038146204 554269596 /nfs/dbraw/zinc/26/95/96/554269596.db2.gz ABZPZZXSHCGVQI-RDGATRHJSA-N 1 1 529.584 5.263 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000038150039 554271220 /nfs/dbraw/zinc/27/12/20/554271220.db2.gz DAHYKHKOXKQRNL-XQUOZVEWSA-N 1 1 536.097 5.271 50 0 KKAAMO COc1cc(NC(=O)C(C)(C)N(C[C@H]2CCC[N@H+]3CCCC[C@H]23)C(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000043883935 554300372 /nfs/dbraw/zinc/30/03/72/554300372.db2.gz OOABJYJUKFWDEH-QFQXNSOFSA-N 1 1 528.093 5.481 50 0 KKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000046853931 554320817 /nfs/dbraw/zinc/32/08/17/554320817.db2.gz PAGQUFIUGUOBQX-UHFFFAOYSA-N 1 1 538.051 5.777 50 0 KKAAMO COc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2cccc(C)c2)CC[N@@H+](Cc2ccccc2)C4)c1 ZINC000053308223 554335846 /nfs/dbraw/zinc/33/58/46/554335846.db2.gz WUUHGCLUMSFPOX-UHFFFAOYSA-N 1 1 582.751 6.053 50 0 KKAAMO COc1cccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2cccc(C)c2)CC[N@H+](Cc2ccccc2)C4)c1 ZINC000053308223 554335849 /nfs/dbraw/zinc/33/58/49/554335849.db2.gz WUUHGCLUMSFPOX-UHFFFAOYSA-N 1 1 582.751 6.053 50 0 KKAAMO Cc1cc(C)cc(OCC(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)c1 ZINC000057254363 554353453 /nfs/dbraw/zinc/35/34/53/554353453.db2.gz QXOMUJTUEHZZJT-UHFFFAOYSA-N 1 1 523.102 5.171 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)/C=C/c3cc(Br)cc(Br)c3OC)cc2Cl)CC1 ZINC000100381710 554363502 /nfs/dbraw/zinc/36/35/02/554363502.db2.gz JFLWTHKKKMHYKM-QPJJXVBHSA-N 1 1 557.714 5.667 50 0 KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000058502112 554364533 /nfs/dbraw/zinc/36/45/33/554364533.db2.gz DFOCUWZXJBAUSQ-VMPREFPWSA-N 1 1 608.735 6.859 50 0 biogenic,in-vitro KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000058502112 554364528 /nfs/dbraw/zinc/36/45/28/554364528.db2.gz DFOCUWZXJBAUSQ-VMPREFPWSA-N 1 1 608.735 6.859 50 0 biogenic,in-vitro KKAAMO O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059646825 554417495 /nfs/dbraw/zinc/41/74/95/554417495.db2.gz FKPFONONXYLLHN-UHFFFAOYSA-N 1 1 628.116 6.488 50 0 KKAAMO O=C(COc1ccc(Cl)cc1Cl)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000100818229 554478414 /nfs/dbraw/zinc/47/84/14/554478414.db2.gz DFWSZGBQPQQQPU-UHFFFAOYSA-N 1 1 580.562 7.907 50 0 KKAAMO O=C(COc1ccc(Cl)cc1Cl)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2 ZINC000100818229 554478419 /nfs/dbraw/zinc/47/84/19/554478419.db2.gz DFWSZGBQPQQQPU-UHFFFAOYSA-N 1 1 580.562 7.907 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1cc(Cl)sc1Cl ZINC000100818198 554478495 /nfs/dbraw/zinc/47/84/95/554478495.db2.gz FCDDJOSLCRICPS-UHFFFAOYSA-N 1 1 556.565 8.204 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1cc(Cl)sc1Cl ZINC000100818198 554478496 /nfs/dbraw/zinc/47/84/96/554478496.db2.gz FCDDJOSLCRICPS-UHFFFAOYSA-N 1 1 556.565 8.204 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)[C@@H]1COc2ccccc2O1 ZINC000100819320 554479033 /nfs/dbraw/zinc/47/90/33/554479033.db2.gz VXZRFIQFOVEFIM-DEOSSOPVSA-N 1 1 539.682 6.362 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)[C@@H]1COc2ccccc2O1 ZINC000100819320 554479036 /nfs/dbraw/zinc/47/90/36/554479036.db2.gz VXZRFIQFOVEFIM-DEOSSOPVSA-N 1 1 539.682 6.362 50 0 KKAAMO O[C@H](CN1c2ccccc2[C@H](c2ccccc2)[C@@H]1c1ccccc1)CN1CC[NH+](C[C@@H](O)CN2c3ccccc3[C@@H](c3ccccc3)[C@H]2c2ccccc2)CC1 ZINC000066031717 554527636 /nfs/dbraw/zinc/52/76/36/554527636.db2.gz FBTAFNUXVYMJFU-WSKZLCBKSA-N 1 1 740.992 8.113 50 0 KKAAMO O[C@@H](CN1c2ccccc2[C@@H](c2ccccc2)[C@H]1c1ccccc1)CN1CC[NH+](C[C@H](O)CN2c3ccccc3[C@H](c3ccccc3)[C@@H]2c2ccccc2)CC1 ZINC000066031717 554527632 /nfs/dbraw/zinc/52/76/32/554527632.db2.gz FBTAFNUXVYMJFU-WSKZLCBKSA-N 1 1 740.992 8.113 50 0 KKAAMO O[C@@H](Cn1c2ccccc2c2cc(Cl)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000067997819 554538054 /nfs/dbraw/zinc/53/80/54/554538054.db2.gz VXASWNCNDAMJFB-FTJBHMTQSA-N 1 1 636.023 6.902 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(F)cc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000100954091 554538417 /nfs/dbraw/zinc/53/84/17/554538417.db2.gz UIPGYHGLNQKDCY-BSKIJULFSA-N 1 1 534.487 7.874 50 0 KKAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101064460 554571697 /nfs/dbraw/zinc/57/16/97/554571697.db2.gz DSFLXWSYLKLABO-SMVSGJMUSA-N 1 1 556.460 5.081 50 0 KKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000101086861 554580856 /nfs/dbraw/zinc/58/08/56/554580856.db2.gz OINFJDRUZQAWBU-UHFFFAOYSA-N 1 1 568.475 5.901 50 0 KKAAMO O=S(=O)(Oc1cccc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)c1)c1cc(Cl)ccc1Cl ZINC000101096895 554584668 /nfs/dbraw/zinc/58/46/68/554584668.db2.gz ZYGUZAZZDCKEEJ-UHFFFAOYSA-N 1 1 595.346 7.583 50 0 KKAAMO O=C(COc1ccc(-c2csc3ccccc23)cc1C[NH+]1CCN(c2ccccn2)CC1)NCc1nccs1 ZINC000101104902 554639918 /nfs/dbraw/zinc/63/99/18/554639918.db2.gz AKGHWTHFNUSTAW-UHFFFAOYSA-N 1 1 555.729 5.437 50 0 KKAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000101138044 554652075 /nfs/dbraw/zinc/65/20/75/554652075.db2.gz RQMZNPBKOQAELH-NDBXHCKUSA-N 1 1 517.507 5.168 50 0 KKAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 ZINC000101138044 554652076 /nfs/dbraw/zinc/65/20/76/554652076.db2.gz RQMZNPBKOQAELH-NDBXHCKUSA-N 1 1 517.507 5.168 50 0 KKAAMO Cc1nnc(C(C)C)n1[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000101160855 554659830 /nfs/dbraw/zinc/65/98/30/554659830.db2.gz GSNHKUDZZFZSJB-QUMGSSFMSA-N 1 1 513.677 5.951 50 0 world KKAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(OC)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254820 554695544 /nfs/dbraw/zinc/69/55/44/554695544.db2.gz WRWGMUDWADOOMG-JGCGQSQUSA-N 1 1 629.827 5.023 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254827 554695591 /nfs/dbraw/zinc/69/55/91/554695591.db2.gz XQKFTIUPMXIKGB-WJOKGBTCSA-N 1 1 634.246 5.668 50 0 KKAAMO O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254877 554695797 /nfs/dbraw/zinc/69/57/97/554695797.db2.gz YGRXXCIXRXTHJM-NDEPHWFRSA-N 1 1 610.611 5.532 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000101254857 554695871 /nfs/dbraw/zinc/69/58/71/554695871.db2.gz YXGIZWNUKSPTMN-LJAQVGFWSA-N 1 1 590.193 5.187 50 0 KKAAMO O=C(C[C@H]1C(=O)N(c2ccc(Cl)cc2)C(=S)N1CCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1 ZINC000101255159 554696443 /nfs/dbraw/zinc/69/64/43/554696443.db2.gz SZYWYLIXTSSIGU-NDEPHWFRSA-N 1 1 594.156 5.018 50 0 KKAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3nc(-c4ccccc4)nc(C)c3Cc3cccc(Cl)c3)CC2)cc1 ZINC000101347570 554737586 /nfs/dbraw/zinc/73/75/86/554737586.db2.gz HRMUPVSGKCMRQD-MHZLTWQESA-N 1 1 559.110 5.267 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000101406827 554761997 /nfs/dbraw/zinc/76/19/97/554761997.db2.gz SYNRQYRZKMBATH-LJQANCHMSA-N 1 1 538.088 6.395 50 0 KKAAMO Cc1cccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3)Oc3ccccc32)c1 ZINC000101426302 554768702 /nfs/dbraw/zinc/76/87/02/554768702.db2.gz ZNPVBZPLHGQYEC-PPFNPFNJSA-N 1 1 607.154 6.167 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+]4CCc5ccccc5C4)cc3)C2=O)c1 ZINC000101426252 554768719 /nfs/dbraw/zinc/76/87/19/554768719.db2.gz GGAFUZOFPMKYJW-PPFNPFNJSA-N 1 1 557.694 6.140 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101492176 554786117 /nfs/dbraw/zinc/78/61/17/554786117.db2.gz BRBDOBQPLCPWOI-RHRDVFBWSA-N 1 1 559.453 5.073 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)o1 ZINC000101492981 554786335 /nfs/dbraw/zinc/78/63/35/554786335.db2.gz UIYNMPKNVMFBPZ-YYTYUTFWSA-N 1 1 594.778 5.536 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000101502697 554789034 /nfs/dbraw/zinc/78/90/34/554789034.db2.gz ZODSENOKEKNKAW-OBWDDDHRSA-N 1 1 593.005 5.439 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[NH+]4CCN(c5cccc(C)c5C)CC4)cc3)C2=O)c1 ZINC000101506670 554790714 /nfs/dbraw/zinc/79/07/14/554790714.db2.gz VYBHKMVJJDFVSP-YRRMYEEHSA-N 1 1 600.763 6.131 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000101507048 554791057 /nfs/dbraw/zinc/79/10/57/554791057.db2.gz HXCIJUUYCMFXHF-IQURXNKESA-N 1 1 567.799 7.368 50 0 KKAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101618512 554806714 /nfs/dbraw/zinc/80/67/14/554806714.db2.gz ZMIGMFWBUIHALR-FIRIVFDPSA-N 1 1 556.776 5.296 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cc(Br)ccc1OC)C3=O ZINC000101622205 554809855 /nfs/dbraw/zinc/80/98/55/554809855.db2.gz FDWSFXRBELXTDB-MUQQHEDISA-N 1 1 625.608 5.320 50 0 KKAAMO COc1ccc(-c2ccc(C(=O)N3CCC(Oc4cccc(C[NH+]5CCN(Cc6cccnc6)CC5)c4)CC3)o2)cc1 ZINC000101624442 554810959 /nfs/dbraw/zinc/81/09/59/554810959.db2.gz RHQIJRLPJDOWLL-UHFFFAOYSA-N 1 1 566.702 5.352 50 0 KKAAMO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1Br ZINC000101634445 554812605 /nfs/dbraw/zinc/81/26/05/554812605.db2.gz TUQKECMBHOQBBQ-DCBYITAQSA-N 1 1 572.569 5.422 50 0 KKAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000101637717 554813911 /nfs/dbraw/zinc/81/39/11/554813911.db2.gz VPBWISGIZKKCAQ-KVQDIILNSA-N 1 1 637.249 6.958 50 0 KKAAMO Cc1cccc(N2CC[NH+](CCNC(=O)c3ccc(/C=C4/Sc5ccccc5N(Cc5ccccc5F)C4=O)cc3)CC2)c1C ZINC000101640424 554814309 /nfs/dbraw/zinc/81/43/09/554814309.db2.gz XFFJWSRUYFWIOJ-JWHWKPFMSA-N 1 1 620.794 6.675 50 0 KKAAMO O=C(c1cc(-c2ccccc2)nn1-c1cccc(Cl)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101658270 554820297 /nfs/dbraw/zinc/82/02/97/554820297.db2.gz BFIUOBPTYOTLQD-UHFFFAOYSA-N 1 1 533.075 6.740 50 0 KKAAMO O=C(CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000101687295 554829750 /nfs/dbraw/zinc/82/97/50/554829750.db2.gz LEPGTFKFUOONOA-RRAHZORUSA-N 1 1 598.666 5.653 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc(N2CCCCC2)c(NS(=O)(=O)c2ccc(C)cc2)c1)Cc1ccccc1 ZINC000101689355 554830400 /nfs/dbraw/zinc/83/04/00/554830400.db2.gz DCYNDXMKEYQWCS-UHFFFAOYSA-N 1 1 576.807 6.208 50 0 KKAAMO COc1cc(C)c(C[N@@H+]2C[C@@H](Sc3nccc(C)n3)C[C@H]2C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)cc1C ZINC000101770438 554837411 /nfs/dbraw/zinc/83/74/11/554837411.db2.gz HBNUCUTZBHZGNT-IZEXYCQBSA-N 1 1 579.770 6.627 50 0 KKAAMO COc1cc(C)c(C[N@H+]2C[C@@H](Sc3nccc(C)n3)C[C@H]2C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)cc1C ZINC000101770438 554837413 /nfs/dbraw/zinc/83/74/13/554837413.db2.gz HBNUCUTZBHZGNT-IZEXYCQBSA-N 1 1 579.770 6.627 50 0 KKAAMO COc1ccccc1-c1csc2nc(C[N@H+](CCC(C)C)C[C@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c12 ZINC000101823508 554841230 /nfs/dbraw/zinc/84/12/30/554841230.db2.gz IEXHBAWGGJAENA-FQEVSTJZSA-N 1 1 542.101 5.602 50 0 KKAAMO COc1ccccc1-c1csc2nc(C[N@@H+](CCC(C)C)C[C@H](O)COc3ccc(Cl)cc3)[nH]c(=O)c12 ZINC000101823508 554841232 /nfs/dbraw/zinc/84/12/32/554841232.db2.gz IEXHBAWGGJAENA-FQEVSTJZSA-N 1 1 542.101 5.602 50 0 KKAAMO CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[NH2+]Cc3ccco3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000101891836 554846526 /nfs/dbraw/zinc/84/65/26/554846526.db2.gz ZNCXMSYATWHQRO-INIZCTEOSA-N 1 1 544.515 6.235 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cccc(Br)c1)C3=O ZINC000101991146 554863897 /nfs/dbraw/zinc/86/38/97/554863897.db2.gz URMPANRMSSDWFV-WPHQEQLXSA-N 1 1 595.582 5.311 50 0 KKAAMO O=C(Oc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1)c1ccccc1Cl ZINC000102084814 554876265 /nfs/dbraw/zinc/87/62/65/554876265.db2.gz XIBFRZPSRGGJAP-SANMLTNESA-N 1 1 530.049 6.608 50 0 KKAAMO O=C(Oc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1)c1ccccc1Cl ZINC000102084814 554876268 /nfs/dbraw/zinc/87/62/68/554876268.db2.gz XIBFRZPSRGGJAP-SANMLTNESA-N 1 1 530.049 6.608 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000102096593 554879374 /nfs/dbraw/zinc/87/93/74/554879374.db2.gz QKFQMXPGKSLVAP-QHCPKHFHSA-N 1 1 546.476 6.478 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[N@@H+]3CCc4ccccc4C3)cnn2-c2ccccc2Cl)CC1 ZINC000102132620 554886635 /nfs/dbraw/zinc/88/66/35/554886635.db2.gz AFTJFYPDNJTNAN-UHFFFAOYSA-N 1 1 564.130 5.428 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[N@H+]3CCc4ccccc4C3)cnn2-c2ccccc2Cl)CC1 ZINC000102132620 554886638 /nfs/dbraw/zinc/88/66/38/554886638.db2.gz AFTJFYPDNJTNAN-UHFFFAOYSA-N 1 1 564.130 5.428 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3cc(C)cc(C)c3)C2)cc1OC ZINC000102139115 554888071 /nfs/dbraw/zinc/88/80/71/554888071.db2.gz ZUNTYVDMXDMDMS-URLMMPGGSA-N 1 1 555.719 5.203 50 0 KKAAMO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000102231255 554900172 /nfs/dbraw/zinc/90/01/72/554900172.db2.gz HOJOIDZRPNIDCC-HKBQPEDESA-N 1 1 561.553 6.868 50 0 KKAAMO CCOC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4ncc(C(F)(F)F)cc4Cl)cc3OC[C@@H]3CCCO3)C2)CC1 ZINC000102399567 554919432 /nfs/dbraw/zinc/91/94/32/554919432.db2.gz HAJNTHXQEZFDJV-QFIPXVFZSA-N 1 1 584.035 5.794 50 0 KKAAMO COc1ccccc1CNC(=O)CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000102411531 554923569 /nfs/dbraw/zinc/92/35/69/554923569.db2.gz WUZRVMUMMRJQOA-BHBYDHKZSA-N 1 1 579.160 5.597 50 0 KKAAMO COc1ccccc1CNC(=O)CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000102411531 554923570 /nfs/dbraw/zinc/92/35/70/554923570.db2.gz WUZRVMUMMRJQOA-BHBYDHKZSA-N 1 1 579.160 5.597 50 0 KKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000102417022 554925057 /nfs/dbraw/zinc/92/50/57/554925057.db2.gz LAGWILGKHSASBR-IZZNHLLZSA-N 1 1 539.607 5.101 50 0 KKAAMO O=C(CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1)Nc1ccc(F)c(F)c1 ZINC000102427460 554926275 /nfs/dbraw/zinc/92/62/75/554926275.db2.gz PRDCGFREYPOEBW-MUAVYFROSA-N 1 1 571.087 6.189 50 0 KKAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1)Nc1ccc(F)c(F)c1 ZINC000102427460 554926276 /nfs/dbraw/zinc/92/62/76/554926276.db2.gz PRDCGFREYPOEBW-MUAVYFROSA-N 1 1 571.087 6.189 50 0 KKAAMO CN(C)c1cc(Cl)nc(SCc2ccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cc2)n1 ZINC000102427155 554926316 /nfs/dbraw/zinc/92/63/16/554926316.db2.gz TVJKCBVXCYWBFL-UHFFFAOYSA-N 1 1 558.151 6.036 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(OC)ccc2OC)CC[N@H+](C)C4)cc1 ZINC000102499476 554941913 /nfs/dbraw/zinc/94/19/13/554941913.db2.gz PEZHTUZOSDWWBV-MUUNZHRXSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(OC)ccc2OC)CC[N@@H+](C)C4)cc1 ZINC000102499476 554941914 /nfs/dbraw/zinc/94/19/14/554941914.db2.gz PEZHTUZOSDWWBV-MUUNZHRXSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)c1 ZINC000102499731 554942286 /nfs/dbraw/zinc/94/22/86/554942286.db2.gz WKKMMEWVSAUYTQ-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)c1 ZINC000102499731 554942289 /nfs/dbraw/zinc/94/22/89/554942289.db2.gz WKKMMEWVSAUYTQ-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000102499828 554942496 /nfs/dbraw/zinc/94/24/96/554942496.db2.gz NSCYRADEUPIAEH-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000102499828 554942498 /nfs/dbraw/zinc/94/24/98/554942498.db2.gz NSCYRADEUPIAEH-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000102589344 554973810 /nfs/dbraw/zinc/97/38/10/554973810.db2.gz RHIUUHJTFQMRIA-UHFFFAOYSA-N 1 1 538.635 7.236 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(Br)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000102629353 554988991 /nfs/dbraw/zinc/98/89/91/554988991.db2.gz XCPRQOIAEBAVPK-AYHHAJBCSA-N 1 1 586.555 7.208 50 0 KKAAMO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[N@H+]3CCC[C@@H](C)C3)C2=O)cc1Br ZINC000102768350 555056175 /nfs/dbraw/zinc/05/61/75/555056175.db2.gz ZHXXYVQRUSTDBY-DUYBAWCLSA-N 1 1 558.542 5.176 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1)Cc1ccccc1 ZINC000102769741 555057164 /nfs/dbraw/zinc/05/71/64/555057164.db2.gz RMDHXCHLEBJORH-JDCMOKTRSA-N 1 1 549.646 6.044 50 0 KKAAMO COc1ccc(-c2nc3ccc(C(=O)NCCC[N@@H+](Cc4ccccc4)C(C)C)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000102771919 555060880 /nfs/dbraw/zinc/06/08/80/555060880.db2.gz FHNCMPDGTAWJLO-UHFFFAOYSA-N 1 1 574.725 7.012 50 0 biogenic KKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3ccc(OC)c(OC)c3)CC(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000102772187 555061256 /nfs/dbraw/zinc/06/12/56/555061256.db2.gz YILOCPJTZDZJKB-UHFFFAOYSA-N 1 1 545.676 6.256 50 0 KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccccc12 ZINC000102776643 555062910 /nfs/dbraw/zinc/06/29/10/555062910.db2.gz WPPQNQIKKSVHIQ-WMKRSEKRSA-N 1 1 548.042 5.816 50 0 KKAAMO Cc1cc(Cl)cc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccccc12 ZINC000102776643 555062913 /nfs/dbraw/zinc/06/29/13/555062913.db2.gz WPPQNQIKKSVHIQ-WMKRSEKRSA-N 1 1 548.042 5.816 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000102782701 555066582 /nfs/dbraw/zinc/06/65/82/555066582.db2.gz IUSLYDADBBCUFE-GAZVHPIVSA-N 1 1 567.085 6.328 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000102782701 555066584 /nfs/dbraw/zinc/06/65/84/555066584.db2.gz IUSLYDADBBCUFE-GAZVHPIVSA-N 1 1 567.085 6.328 50 0 KKAAMO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccco1 ZINC000102782731 555066625 /nfs/dbraw/zinc/06/66/25/555066625.db2.gz YBPSSSJRNIRXOV-XMMPIXPASA-N 1 1 551.615 5.229 50 0 KKAAMO CCN(CC)c1onc(-c2ccc(F)cc2)c1C[N@H+](Cc1ccc2c(c1)OCO2)C[C@@H](O)COCc1ccco1 ZINC000102782731 555066626 /nfs/dbraw/zinc/06/66/26/555066626.db2.gz YBPSSSJRNIRXOV-XMMPIXPASA-N 1 1 551.615 5.229 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000102790101 555068806 /nfs/dbraw/zinc/06/88/06/555068806.db2.gz HKKROTLPSUHRJI-RUZDIDTESA-N 1 1 563.768 5.102 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102842342 555082939 /nfs/dbraw/zinc/08/29/39/555082939.db2.gz FZZSSTYZEPAUKN-AREMUKBSSA-N 1 1 528.505 5.295 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102842342 555082942 /nfs/dbraw/zinc/08/29/42/555082942.db2.gz FZZSSTYZEPAUKN-AREMUKBSSA-N 1 1 528.505 5.295 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102842442 555082947 /nfs/dbraw/zinc/08/29/47/555082947.db2.gz AZLYJDYZRYKWNF-MHZLTWQESA-N 1 1 541.639 5.398 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102842442 555082949 /nfs/dbraw/zinc/08/29/49/555082949.db2.gz AZLYJDYZRYKWNF-MHZLTWQESA-N 1 1 541.639 5.398 50 0 KKAAMO O=C(c1ccc(N[C@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000103042068 555225754 /nfs/dbraw/zinc/22/57/54/555225754.db2.gz IIPWSOPXQOFRNC-WJOKGBTCSA-N 1 1 534.635 5.550 50 0 KKAAMO O=C(C[N@@H+](Cc1cccc(Cl)c1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000103086376 555265199 /nfs/dbraw/zinc/26/51/99/555265199.db2.gz XMKUMGFFUFXHRX-UHFFFAOYSA-N 1 1 540.922 7.364 50 0 KKAAMO O=C(C[N@H+](Cc1cccc(Cl)c1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000103086376 555265201 /nfs/dbraw/zinc/26/52/01/555265201.db2.gz XMKUMGFFUFXHRX-UHFFFAOYSA-N 1 1 540.922 7.364 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)[C@H]5CCC[C@H](OC)C5)CC4)n3c2)c1 ZINC000103096079 555274143 /nfs/dbraw/zinc/27/41/43/555274143.db2.gz UBQUYBXAKSSAJP-YTMVLYRLSA-N 1 1 552.719 5.916 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000103123068 555291644 /nfs/dbraw/zinc/29/16/44/555291644.db2.gz GSFVNNWWCSFKHF-NEEKEDPPSA-N 1 1 552.656 7.844 50 0 KKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)C[C@H]2C)c1 ZINC000103174564 555326743 /nfs/dbraw/zinc/32/67/43/555326743.db2.gz QBJJBOPVSYLSOH-JOCHJYFZSA-N 1 1 538.493 6.874 50 0 KKAAMO CCCN1C(=O)c2ccccc2[C@@H]1Nc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000103201627 555337524 /nfs/dbraw/zinc/33/75/24/555337524.db2.gz OKDDGHAIQLMGQY-MGBGTMOVSA-N 1 1 544.699 6.211 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000103313669 555358407 /nfs/dbraw/zinc/35/84/07/555358407.db2.gz SWZYKECGAJVVEB-PKTZIBPZSA-N 1 1 533.883 6.390 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000103313669 555358409 /nfs/dbraw/zinc/35/84/09/555358409.db2.gz SWZYKECGAJVVEB-PKTZIBPZSA-N 1 1 533.883 6.390 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000103363199 555365254 /nfs/dbraw/zinc/36/52/54/555365254.db2.gz HSCHHAAYXUKTPQ-WINIVTDRSA-N 1 1 574.644 6.008 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccc(C)cc3)n2-c2cccc(Cl)c2)CC1 ZINC000103405279 555391522 /nfs/dbraw/zinc/39/15/22/555391522.db2.gz LXYCIINZSQIOOE-UHFFFAOYSA-N 1 1 532.113 5.966 50 0 KKAAMO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000103405417 555391817 /nfs/dbraw/zinc/39/18/17/555391817.db2.gz SAVSFDPMZIGHSU-XTEPFMGCSA-N 1 1 515.455 5.105 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cccc(Oc3ccccc3)c2)CC1 ZINC000103420681 555401087 /nfs/dbraw/zinc/40/10/87/555401087.db2.gz WAMKEANEESGTPF-XIFFEERXSA-N 1 1 561.701 7.307 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4cccc(OC)c4)n3-c3ccc(OC)cc3)c2)CC1 ZINC000103424442 555404427 /nfs/dbraw/zinc/40/44/27/555404427.db2.gz MYMWIXBPLMGIDV-UHFFFAOYSA-N 1 1 543.693 5.022 50 0 KKAAMO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@H+]4CCCC[C@@H]34)C(=O)c3cc(OC)cc(OC)c3)CCCCC2)cc(OC)c1 ZINC000103578560 555451299 /nfs/dbraw/zinc/45/12/99/555451299.db2.gz SKPOOLAPFIGVPI-XJFCNFDWSA-N 1 1 593.765 5.769 50 0 KKAAMO c1ccc(-c2ccc([C@@H](c3ccccc3)[NH+]3CCN([C@@H](c4ccccc4)c4ccc(-c5ccccc5)cc4)CC3)cc2)cc1 ZINC000103625586 555457353 /nfs/dbraw/zinc/45/73/53/555457353.db2.gz GPNHYCAEFDGVBC-ZRKBJOGQSA-N 1 1 570.780 9.517 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O ZINC000103893521 562825060 /nfs/dbraw/zinc/82/50/60/562825060.db2.gz DAHYKHKOXKQRNL-LGIDBQEGSA-N 1 1 536.097 5.271 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000169293631 562852107 /nfs/dbraw/zinc/85/21/07/562852107.db2.gz JVAQZMVDSSVXGG-ZHQHWHAXSA-N 1 1 564.151 6.052 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000252009467 562881682 /nfs/dbraw/zinc/88/16/82/562881682.db2.gz QYQDPBFSISDNBS-RJNBBFARSA-N 1 1 527.624 5.417 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103287995 571361551 /nfs/dbraw/zinc/36/15/51/571361551.db2.gz XOKGYGURRAUQBS-HATVSKDLSA-N 1 1 589.091 7.111 50 0 KKAAMO COc1cccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC(C)C)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)c1 ZINC000103527992 571361737 /nfs/dbraw/zinc/36/17/37/571361737.db2.gz DEEGGLHMMXTTDS-CYPQMOBWSA-N 1 1 584.672 6.464 50 0 KKAAMO COc1ccc(C(O)=C2[C@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000103529011 571361757 /nfs/dbraw/zinc/36/17/57/571361757.db2.gz SUJODGZTLOJDDP-KHLUAOTOSA-N 1 1 557.606 5.081 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc(OC(C)C)cc1)C3=O ZINC000104147876 571375393 /nfs/dbraw/zinc/37/53/93/571375393.db2.gz JSXFFODNDGTNRL-RDXDNIQESA-N 1 1 574.766 5.336 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000105003506 571389075 /nfs/dbraw/zinc/38/90/75/571389075.db2.gz JHNPRHJCWGRMJY-RPWUZVMVSA-N 1 1 528.093 5.783 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1CCCO1 ZINC000105003506 571389076 /nfs/dbraw/zinc/38/90/76/571389076.db2.gz JHNPRHJCWGRMJY-RPWUZVMVSA-N 1 1 528.093 5.783 50 0 KKAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000105004234 571389092 /nfs/dbraw/zinc/38/90/92/571389092.db2.gz XTIWKHOZTQKLTP-XTEPFMGCSA-N 1 1 536.738 5.159 50 0 KKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)NCc4cccc(F)c4)cc3[C@@H]2c2ccccc2)c1 ZINC000105023104 571389433 /nfs/dbraw/zinc/38/94/33/571389433.db2.gz JGCONOBZURGCRR-QNLPTKCRSA-N 1 1 508.637 6.366 50 0 KKAAMO COc1cc(C[N@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccccc3F)[C@H](c3ccccc3)C2)cc(OC)c1 ZINC000105041363 571390197 /nfs/dbraw/zinc/39/01/97/571390197.db2.gz ZXOFJOFVHPIAAQ-SVEHJYQDSA-N 1 1 504.646 5.857 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042759 571390322 /nfs/dbraw/zinc/39/03/22/571390322.db2.gz YIPQTEYEQKRBKX-SQHAQQRYSA-N 1 1 514.563 6.117 50 0 KKAAMO Cc1ccccc1C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)C[C@@H]1C ZINC000105060672 571390658 /nfs/dbraw/zinc/39/06/58/571390658.db2.gz PQDBPBCIWVBSMH-IADCTJSHSA-N 1 1 501.696 5.076 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000105060481 571390792 /nfs/dbraw/zinc/39/07/92/571390792.db2.gz MFGSFJQYWNQDQK-XHCCPWGMSA-N 1 1 574.644 6.008 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(C(C)(C)C)cc1 ZINC000105061433 571391013 /nfs/dbraw/zinc/39/10/13/571391013.db2.gz MUWRZPPTJKTLKH-YKGWIAGDSA-N 1 1 547.740 5.895 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000105061922 571391090 /nfs/dbraw/zinc/39/10/90/571391090.db2.gz KIKISGOANDWTGW-XHCCPWGMSA-N 1 1 541.092 5.643 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000105061794 571391107 /nfs/dbraw/zinc/39/11/07/571391107.db2.gz LUEMCUCYSZVCBV-ZBLYBZFDSA-N 1 1 522.114 5.421 50 0 KKAAMO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc1 ZINC000150388816 571471044 /nfs/dbraw/zinc/47/10/44/571471044.db2.gz ASJOKNIXMZSVCS-UHFFFAOYSA-N 1 1 665.749 9.775 50 0 KKAAMO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc1 ZINC000150388813 571471073 /nfs/dbraw/zinc/47/10/73/571471073.db2.gz JXWVCRIQFXFNOU-UHFFFAOYSA-N 1 1 665.749 9.631 50 0 KKAAMO Cc1cc(Oc2c(=O)c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)c(C[NH+]4CCC(C)CC4)c3oc2C(F)(F)F)ccc1Cl ZINC000150389004 571471318 /nfs/dbraw/zinc/47/13/18/571471318.db2.gz LWRLMWOFPGGJLD-UHFFFAOYSA-N 1 1 642.114 9.315 50 0 KKAAMO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OC)c(OC)c4)c(C[NH+]4CCCCCC4)c3oc2C(F)(F)F)cc1 ZINC000150389023 571471329 /nfs/dbraw/zinc/47/13/29/571471329.db2.gz VSNIINRYQIBBQF-UHFFFAOYSA-N 1 1 639.667 8.169 50 0 KKAAMO O=C(c1csc(CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2)n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150501138 571518701 /nfs/dbraw/zinc/51/87/01/571518701.db2.gz WTKBPIQJHGVEAE-UHFFFAOYSA-N 1 1 664.260 7.279 50 0 KKAAMO CCOc1ccc([C@@H]2C(=O)C(C(c3ccc(OC)c(C[NH+]4CCCCC4)c3)C3C(=O)NC(=S)[C@H](c4ccc(OCC)cc4)C3=O)C(=O)NC2=S)cc1 ZINC000150648315 571525323 /nfs/dbraw/zinc/52/53/23/571525323.db2.gz ZGNZALCUWSMZMO-ROJLCIKYSA-N 1 1 741.932 7.491 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000169677364 571555181 /nfs/dbraw/zinc/55/51/81/571555181.db2.gz UVIVSZSWSGRXKL-YUDQIZAISA-N 1 1 531.722 5.248 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@@H]2C)cc1 ZINC000169677364 571555182 /nfs/dbraw/zinc/55/51/82/571555182.db2.gz UVIVSZSWSGRXKL-YUDQIZAISA-N 1 1 531.722 5.248 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)[C@@H](C)C2)cc1 ZINC000169677819 571555384 /nfs/dbraw/zinc/55/53/84/571555384.db2.gz KZDGHLNPAVBANO-DCFHFQCYSA-N 1 1 523.102 5.422 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)[C@@H](C)C2)cc1 ZINC000169677819 571555385 /nfs/dbraw/zinc/55/53/85/571555385.db2.gz KZDGHLNPAVBANO-DCFHFQCYSA-N 1 1 523.102 5.422 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000169677945 571555676 /nfs/dbraw/zinc/55/56/76/571555676.db2.gz RWRGNGLGMPUZNP-VPUSJEBWSA-N 1 1 507.675 5.242 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000169677945 571555678 /nfs/dbraw/zinc/55/56/78/571555678.db2.gz RWRGNGLGMPUZNP-VPUSJEBWSA-N 1 1 507.675 5.242 50 0 KKAAMO Cc1cccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000169679939 571556718 /nfs/dbraw/zinc/55/67/18/571556718.db2.gz QJCSLMJOOZUZDU-LITSAYRRSA-N 1 1 526.618 7.167 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@@H](C)C2)cc1 ZINC000169680884 571557167 /nfs/dbraw/zinc/55/71/67/571557167.db2.gz CTPFBMUCGTVGCK-JHOBJCJYSA-N 1 1 507.744 5.424 50 0 KKAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)OC1(CCCCC1)CC3 ZINC000170613373 571561793 /nfs/dbraw/zinc/56/17/93/571561793.db2.gz YCIUCRDWESOBAM-OZXSUGGESA-N 1 1 506.687 5.443 50 0 KKAAMO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc1C[C@H]3N(C)CC2 ZINC000195484573 571563112 /nfs/dbraw/zinc/56/31/12/571563112.db2.gz DRACRVAKPKYPSB-URLMMPGGSA-N 1 1 682.814 6.760 50 0 KKAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000263584807 572115523 /nfs/dbraw/zinc/11/55/23/572115523.db2.gz AZACBXDAFYBSRH-VTRIWSNPSA-N 1 1 648.845 5.216 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000299781287 572136104 /nfs/dbraw/zinc/13/61/04/572136104.db2.gz DLYMUKKPBAMFBY-BHBYDHKZSA-N 1 1 561.170 6.089 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000299781287 572136108 /nfs/dbraw/zinc/13/61/08/572136108.db2.gz DLYMUKKPBAMFBY-BHBYDHKZSA-N 1 1 561.170 6.089 50 0 KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@@]12C(=O)Nc1ccccc12 ZINC000229856488 572160679 /nfs/dbraw/zinc/16/06/79/572160679.db2.gz GKIKOHDMJGPJMJ-YAGSXNBFSA-N 1 1 542.035 5.062 50 0 KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@@]12C(=O)Nc1ccccc12 ZINC000229856488 572160683 /nfs/dbraw/zinc/16/06/83/572160683.db2.gz GKIKOHDMJGPJMJ-YAGSXNBFSA-N 1 1 542.035 5.062 50 0 KKAAMO COC(=O)C1(C(=O)OC)[C@H](c2ccccc2)[C@H](C(=O)c2ccc(Cl)cc2Cl)[N@H+]2C=Cc3ccccc3[C@H]21 ZINC000229932175 572170849 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C[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077241 572182581 /nfs/dbraw/zinc/18/25/81/572182581.db2.gz QEURWTABXZDXKQ-IZLXSDGUSA-N 1 1 501.696 5.610 50 0 KKAAMO CCCC[N@@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077511 572182855 /nfs/dbraw/zinc/18/28/55/572182855.db2.gz WFEMJSZDVAMTCD-NSOVKSMOSA-N 1 1 519.711 5.983 50 0 KKAAMO CC[C@H](C)[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccco1 ZINC000245228513 572205394 /nfs/dbraw/zinc/20/53/94/572205394.db2.gz FJAIBEYEPBUOIH-ZGOJTZKKSA-N 1 1 521.727 6.085 50 0 KKAAMO CC[C@H](C)[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccco1 ZINC000245228616 572205411 /nfs/dbraw/zinc/20/54/11/572205411.db2.gz ZMIQZIMIKPRVMV-GJDOKZOISA-N 1 1 533.738 6.371 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000245279149 572224054 /nfs/dbraw/zinc/22/40/54/572224054.db2.gz FJVGAVQSDAUGSC-ILBGXUMGSA-N 1 1 511.638 5.176 50 0 KKAAMO CC(C)COC[C@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245281241 572224610 /nfs/dbraw/zinc/22/46/10/572224610.db2.gz WPDHQPMIUOUXAW-AOYPEHQESA-N 1 1 511.638 5.033 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245327052 572233680 /nfs/dbraw/zinc/23/36/80/572233680.db2.gz IEIMPELPBTVISD-LOSJGSFVSA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245327052 572233684 /nfs/dbraw/zinc/23/36/84/572233684.db2.gz IEIMPELPBTVISD-LOSJGSFVSA-N 1 1 525.665 5.525 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000245330373 572236343 /nfs/dbraw/zinc/23/63/43/572236343.db2.gz XXEBEZWRQFUMQS-DNQXCXABSA-N 1 1 511.638 5.133 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000245330373 572236345 /nfs/dbraw/zinc/23/63/45/572236345.db2.gz XXEBEZWRQFUMQS-DNQXCXABSA-N 1 1 511.638 5.133 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000245343225 572237622 /nfs/dbraw/zinc/23/76/22/572237622.db2.gz IUSLYDADBBCUFE-VEQLFVSISA-N 1 1 567.085 6.328 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000245343225 572237623 /nfs/dbraw/zinc/23/76/23/572237623.db2.gz IUSLYDADBBCUFE-VEQLFVSISA-N 1 1 567.085 6.328 50 0 KKAAMO c1ccc(CC[N@H+]2[C@@H](c3ccccc3)[C@H](c3ccccc3)[C@@H](NCc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000245380791 572240511 /nfs/dbraw/zinc/24/05/11/572240511.db2.gz MTFXVXUBNOYWNP-DYLMPHRMSA-N 1 1 522.736 8.360 50 0 KKAAMO c1ccc(CC[N@@H+]2[C@@H](c3ccccc3)[C@H](c3ccccc3)[C@@H](NCc3ccccc3)C[C@H]2c2ccccc2)cc1 ZINC000245380791 572240512 /nfs/dbraw/zinc/24/05/12/572240512.db2.gz MTFXVXUBNOYWNP-DYLMPHRMSA-N 1 1 522.736 8.360 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247469515 572242491 /nfs/dbraw/zinc/24/24/91/572242491.db2.gz DXTKWLCQENMOIQ-JOCHJYFZSA-N 1 1 551.916 6.029 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247500125 572242973 /nfs/dbraw/zinc/24/29/73/572242973.db2.gz POSAGYUZYVXGCO-IBGZPJMESA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247500125 572242975 /nfs/dbraw/zinc/24/29/75/572242975.db2.gz POSAGYUZYVXGCO-IBGZPJMESA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247720652 572243806 /nfs/dbraw/zinc/24/38/06/572243806.db2.gz AFFDGHSTNVOXTN-XMMPIXPASA-N 1 1 509.053 6.742 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247738086 572243998 /nfs/dbraw/zinc/24/39/98/572243998.db2.gz MDRNHFITLSYTSY-UHFFFAOYSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247740678 572244198 /nfs/dbraw/zinc/24/41/98/572244198.db2.gz NLCULVGISUPKDD-KRWDZBQOSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247752107 572244486 /nfs/dbraw/zinc/24/44/86/572244486.db2.gz UUHFJXJDAMICFO-UHFFFAOYSA-N 1 1 525.397 5.917 50 0 KKAAMO O=C(Nc1ccccc1F)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247758682 572244752 /nfs/dbraw/zinc/24/47/52/572244752.db2.gz YYMVLCRDWXDZNY-UHFFFAOYSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247842923 572245935 /nfs/dbraw/zinc/24/59/35/572245935.db2.gz FZTQSCRLCHIVMZ-JOCHJYFZSA-N 1 1 576.514 5.488 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247839336 572246069 /nfs/dbraw/zinc/24/60/69/572246069.db2.gz DZOJIUBDBADWPU-DEOSSOPVSA-N 1 1 546.090 5.438 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000247847266 572246358 /nfs/dbraw/zinc/24/63/58/572246358.db2.gz FDBJOTRTGIYKHF-RTXLYREFSA-N 1 1 534.015 5.508 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000247847266 572246360 /nfs/dbraw/zinc/24/63/60/572246360.db2.gz FDBJOTRTGIYKHF-RTXLYREFSA-N 1 1 534.015 5.508 50 0 KKAAMO Cc1ccc(C)c(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4cccc(Br)c4)CC3)CC2)c1 ZINC000247850001 572246371 /nfs/dbraw/zinc/24/63/71/572246371.db2.gz AAANPJKKYDQJIP-UHFFFAOYSA-N 1 1 586.578 5.966 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247851070 572246374 /nfs/dbraw/zinc/24/63/74/572246374.db2.gz IRNOTFKIXGHSHN-QFIPXVFZSA-N 1 1 532.063 5.379 50 0 KKAAMO Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000247854185 572246610 /nfs/dbraw/zinc/24/66/10/572246610.db2.gz BWDHGCXQRRMCJV-HHHXNRCGSA-N 1 1 556.154 5.916 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247871739 572247042 /nfs/dbraw/zinc/24/70/42/572247042.db2.gz QYKGWKIXURMSDN-OAQYLSRUSA-N 1 1 627.414 6.656 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247870906 572247302 /nfs/dbraw/zinc/24/73/02/572247302.db2.gz QOOKZSPZWKPEJC-OAQYLSRUSA-N 1 1 594.504 5.627 50 0 KKAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247875146 572247506 /nfs/dbraw/zinc/24/75/06/572247506.db2.gz NQCHRJRXIKVABB-XMMPIXPASA-N 1 1 625.000 6.241 50 0 KKAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247875145 572247577 /nfs/dbraw/zinc/24/75/77/572247577.db2.gz NQCHRJRXIKVABB-DEOSSOPVSA-N 1 1 625.000 6.241 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000247877590 572247972 /nfs/dbraw/zinc/24/79/72/572247972.db2.gz HRKUDLRLOWSQRK-VWLOTQADSA-N 1 1 558.126 5.307 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247889797 572248259 /nfs/dbraw/zinc/24/82/59/572248259.db2.gz YCOBLRXDHATCFS-DEOSSOPVSA-N 1 1 577.611 7.494 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N(C4CCCCC4)C4CCCCC4)C3)nc3ccccc32)cc1 ZINC000247883910 572248304 /nfs/dbraw/zinc/24/83/04/572248304.db2.gz KHCGDBXHAOQXTM-MHZLTWQESA-N 1 1 542.768 6.799 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(c2ccccc2F)CC1 ZINC000247889973 572248822 /nfs/dbraw/zinc/24/88/22/572248822.db2.gz YHRADMHVCXMZAX-UHFFFAOYSA-N 1 1 576.514 5.488 50 0 KKAAMO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247899756 572248924 /nfs/dbraw/zinc/24/89/24/572248924.db2.gz YSWNLCSOMRPZQV-UHFFFAOYSA-N 1 1 517.471 6.256 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)nc3ccccc32)cc1 ZINC000247910300 572249245 /nfs/dbraw/zinc/24/92/45/572249245.db2.gz UKQNETFTCDAIRX-UHFFFAOYSA-N 1 1 517.073 5.318 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(C(=O)c5ccc(Cl)c(Cl)c5)CC4)CC3)nc3ccccc32)cc1 ZINC000247915039 572249300 /nfs/dbraw/zinc/24/93/00/572249300.db2.gz VSVQFXQPCQUONX-UHFFFAOYSA-N 1 1 620.581 5.597 50 0 KKAAMO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247919874 572249492 /nfs/dbraw/zinc/24/94/92/572249492.db2.gz XGXPKAGJUKAIKQ-NRFANRHFSA-N 1 1 533.470 5.325 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4cccc(Cl)c4Cl)C3)nc3ccccc32)cc1 ZINC000247916776 572249651 /nfs/dbraw/zinc/24/96/51/572249651.db2.gz WMYHTGZBEXCOKR-HXUWFJFHSA-N 1 1 523.464 6.251 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4cccc(Cl)c4Cl)C3)nc3ccccc32)cc1 ZINC000247916776 572249653 /nfs/dbraw/zinc/24/96/53/572249653.db2.gz WMYHTGZBEXCOKR-HXUWFJFHSA-N 1 1 523.464 6.251 50 0 KKAAMO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247941997 572250250 /nfs/dbraw/zinc/25/02/50/572250250.db2.gz QAAGOHJOPWRVKK-XMMPIXPASA-N 1 1 590.555 5.588 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(C(=O)c3cccc(Cl)c3Cl)CC2)C1 ZINC000247969080 572251260 /nfs/dbraw/zinc/25/12/60/572251260.db2.gz CQBQLSARSSICHV-FQEVSTJZSA-N 1 1 542.511 5.121 50 0 KKAAMO Cc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247977991 572251329 /nfs/dbraw/zinc/25/13/29/572251329.db2.gz DSBGSLZZFXMPGG-HXUWFJFHSA-N 1 1 503.444 5.947 50 0 KKAAMO CC(C)n1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000247984809 572251427 /nfs/dbraw/zinc/25/14/27/572251427.db2.gz ILDHHERDDRHVCO-LJAQVGFWSA-N 1 1 535.736 5.763 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1ccc(Cl)cc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000247997867 572251603 /nfs/dbraw/zinc/25/16/03/572251603.db2.gz DMBVCXJRXPFFAC-XTEPFMGCSA-N 1 1 505.449 5.649 50 0 KKAAMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000247991613 572251642 /nfs/dbraw/zinc/25/16/42/572251642.db2.gz MXMCPJURABYYMV-FQEVSTJZSA-N 1 1 503.444 5.947 50 0 KKAAMO Cc1cccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)c1 ZINC000248056529 572252997 /nfs/dbraw/zinc/25/29/97/572252997.db2.gz CEWAAOKDMKQCRY-VWLOTQADSA-N 1 1 501.074 5.617 50 0 KKAAMO Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248072446 572253146 /nfs/dbraw/zinc/25/31/46/572253146.db2.gz AHHREJGMAWSHLI-DEOSSOPVSA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248093328 572253398 /nfs/dbraw/zinc/25/33/98/572253398.db2.gz HQAQLDQKVYVYTP-AREMUKBSSA-N 1 1 542.127 5.607 50 0 KKAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248104440 572253519 /nfs/dbraw/zinc/25/35/19/572253519.db2.gz QDGPRDNTJMHSBT-FMGHJNRGSA-N 1 1 509.760 5.670 50 0 KKAAMO Cc1cccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)c1C ZINC000248104575 572253616 /nfs/dbraw/zinc/25/36/16/572253616.db2.gz OSHBPWMCAIPSQW-UHFFFAOYSA-N 1 1 517.471 6.256 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248099124 572253625 /nfs/dbraw/zinc/25/36/25/572253625.db2.gz OQDQWEHJGKJEQU-ABYGYWHVSA-N 1 1 520.639 7.103 50 0 KKAAMO CCCC[C@H](CC)C(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1 ZINC000248104445 572253631 /nfs/dbraw/zinc/25/36/31/572253631.db2.gz QDGPRDNTJMHSBT-IBGGVINMSA-N 1 1 509.760 5.670 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000248097262 572253662 /nfs/dbraw/zinc/25/36/62/572253662.db2.gz IQLLZEXSVNXIAU-AREMUKBSSA-N 1 1 542.127 5.607 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000248106526 572253811 /nfs/dbraw/zinc/25/38/11/572253811.db2.gz LSQMQGXTVHSESX-DEOSSOPVSA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2c2ccccc2)cc1 ZINC000248121612 572254217 /nfs/dbraw/zinc/25/42/17/572254217.db2.gz SAVYTGWDLKJHKL-YTMVLYRLSA-N 1 1 508.628 7.028 50 0 KKAAMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248125584 572254491 /nfs/dbraw/zinc/25/44/91/572254491.db2.gz FRZWOYNQQJUYHJ-IBGZPJMESA-N 1 1 519.443 5.647 50 0 KKAAMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248146214 572255489 /nfs/dbraw/zinc/25/54/89/572255489.db2.gz WWDOOYYUYVLQTQ-LJQANCHMSA-N 1 1 519.443 5.647 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1C ZINC000248143736 572255523 /nfs/dbraw/zinc/25/55/23/572255523.db2.gz GOJJNHHCEQZABO-MHZLTWQESA-N 1 1 556.154 5.916 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1C ZINC000248172611 572256240 /nfs/dbraw/zinc/25/62/40/572256240.db2.gz XEKMMOJCSBWSIR-RUZDIDTESA-N 1 1 525.672 5.342 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4cccc(Br)c4)CC3)CC2)cc1C ZINC000248168397 572256344 /nfs/dbraw/zinc/25/63/44/572256344.db2.gz TWPUXMVVWUGQFZ-UHFFFAOYSA-N 1 1 586.578 5.966 50 0 KKAAMO CCCCN(CCC)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000248229233 572256717 /nfs/dbraw/zinc/25/67/17/572256717.db2.gz KIBZBIJVRLRJJR-UHFFFAOYSA-N 1 1 511.508 6.039 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccnc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248245042 572256986 /nfs/dbraw/zinc/25/69/86/572256986.db2.gz QBHQFXCSRWJHIQ-SQHAQQRYSA-N 1 1 513.579 6.254 50 0 KKAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccc(Cl)cc4N4CC[N@@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248289869 572257785 /nfs/dbraw/zinc/25/77/85/572257785.db2.gz KDGHVVLSQKCCOI-QCENPCRXSA-N 1 1 543.067 5.173 50 0 KKAAMO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CC[N@@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248288232 572257820 /nfs/dbraw/zinc/25/78/20/572257820.db2.gz HMYBVOZWVICHGA-IZEXYCQBSA-N 1 1 587.518 5.282 50 0 KKAAMO CCc1ccccc1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000252009566 572259644 /nfs/dbraw/zinc/25/96/44/572259644.db2.gz RAXKDHBIPHKVQQ-UHFFFAOYSA-N 1 1 517.471 6.201 50 0 KKAAMO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000251980823 572259657 /nfs/dbraw/zinc/25/96/57/572259657.db2.gz FTFHOBGJZUABPL-RUZDIDTESA-N 1 1 586.578 5.911 50 0 KKAAMO CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000252006541 572259741 /nfs/dbraw/zinc/25/97/41/572259741.db2.gz PDHJNVQIRGFGOZ-NRFANRHFSA-N 1 1 517.471 6.201 50 0 KKAAMO CCCc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)cc1 ZINC000252253151 572259849 /nfs/dbraw/zinc/25/98/49/572259849.db2.gz MIPYIZIXGATIAO-DEOSSOPVSA-N 1 1 501.074 6.541 50 0 KKAAMO CCCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)cc1 ZINC000252253151 572259851 /nfs/dbraw/zinc/25/98/51/572259851.db2.gz MIPYIZIXGATIAO-DEOSSOPVSA-N 1 1 501.074 6.541 50 0 KKAAMO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000252370520 572260184 /nfs/dbraw/zinc/26/01/84/572260184.db2.gz YDQYBSGQBJBFSV-NRFANRHFSA-N 1 1 531.498 6.762 50 0 KKAAMO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252585320 572264520 /nfs/dbraw/zinc/26/45/20/572264520.db2.gz HSEDMGOCZZYPGG-UWZBRCLASA-N 1 1 708.731 5.231 50 0 KKAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585642 572264796 /nfs/dbraw/zinc/26/47/96/572264796.db2.gz KBLHILREQNVSSP-QGTBSMAUSA-N 1 1 625.597 5.054 50 0 KKAAMO CCC[N@H+]1C/C(=C\c2ccc(Cl)cc2Cl)C2=NN(/C(C)=C\C(=O)OCC)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000252622248 572269770 /nfs/dbraw/zinc/26/97/70/572269770.db2.gz NRGWOWIAOKFREM-AARULTNLSA-N 1 1 581.371 7.905 50 0 KKAAMO CCC[N@@H+]1C/C(=C\c2ccc(Cl)cc2Cl)C2=NN(/C(C)=C\C(=O)OCC)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000252622248 572269772 /nfs/dbraw/zinc/26/97/72/572269772.db2.gz NRGWOWIAOKFREM-AARULTNLSA-N 1 1 581.371 7.905 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000253373355 572282110 /nfs/dbraw/zinc/28/21/10/572282110.db2.gz INUYKDTWZDTVGN-MXMCVKMKSA-N 1 1 572.636 6.596 50 0 KKAAMO CC1=C2C[C@@H]3[C@H](C[N@H+]4CC[C@@H](c5ccc(F)cc5)[C@@H](COc5ccc6c(c5)OCO6)C4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000253387632 572282567 /nfs/dbraw/zinc/28/25/67/572282567.db2.gz JGPPKNUAZRWESR-MPXDANMKSA-N 1 1 561.694 6.497 50 0 KKAAMO Cc1ccc(C)c(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000253479738 572289989 /nfs/dbraw/zinc/28/99/89/572289989.db2.gz RZQOIBNBFRAMJW-OAQYLSRUSA-N 1 1 517.471 6.256 50 0 KKAAMO CCCc1ccccc1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000253607347 572300928 /nfs/dbraw/zinc/30/09/28/572300928.db2.gz OQVQLSIOFHOGSU-UHFFFAOYSA-N 1 1 501.074 6.541 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(C(C)C)cc5)CC4)C3)nc3ccccc32)cc1 ZINC000253607334 572300989 /nfs/dbraw/zinc/30/09/89/572300989.db2.gz MPZNZGJJCVCKEU-LJAQVGFWSA-N 1 1 565.762 5.777 50 0 KKAAMO CC(C)c1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000253607265 572301007 /nfs/dbraw/zinc/30/10/07/572301007.db2.gz HVOXUTDNQMPWRR-VWLOTQADSA-N 1 1 600.605 6.472 50 0 KKAAMO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000253607533 572301066 /nfs/dbraw/zinc/30/10/66/572301066.db2.gz IBAPXSMXRSAOHU-NRFANRHFSA-N 1 1 531.498 6.762 50 0 KKAAMO CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@@H](c4ccc(OC)cc4)O[C@H]32)[N@@H+](C)C1 ZINC000257359384 572322171 /nfs/dbraw/zinc/32/21/71/572322171.db2.gz ZXIDTTGVCKUJNE-QGFGJNQOSA-N 1 1 767.001 6.929 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=C(O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2c3ccccc3C=CN12 ZINC000247744046 1069817073 /nfs/dbraw/zinc/81/70/73/1069817073.db2.gz PNUXIBNCEKCHLP-TZFHJCGVSA-N 1 1 624.922 6.840 50 0 KKAAMO C[N@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101936664 1069824074 /nfs/dbraw/zinc/82/40/74/1069824074.db2.gz JBLOXHQFXNLXLO-HHHXNRCGSA-N 1 1 545.687 6.188 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101936664 1069824096 /nfs/dbraw/zinc/82/40/96/1069824096.db2.gz JBLOXHQFXNLXLO-HHHXNRCGSA-N 1 1 545.687 6.188 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101964923 1069838237 /nfs/dbraw/zinc/83/82/37/1069838237.db2.gz TUORCACQSBWQAY-MHZLTWQESA-N 1 1 561.648 6.746 50 0 KKAAMO COc1ccc([C@](O)([C@H](CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc(Cl)cc2)C2CCCCC2)cc1 ZINC000524734250 1069837689 /nfs/dbraw/zinc/83/76/89/1069837689.db2.gz NCHYNYKOJPQQIY-IGHJDKERSA-N 1 1 609.254 8.308 50 0 KKAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000409414786 1069848038 /nfs/dbraw/zinc/84/80/38/1069848038.db2.gz OGAALCAMVGRVKS-DMZPQFDLSA-N 1 1 646.829 5.509 50 0 KKAAMO COc1ccc(/C=C/C(=O)N2CCC(Oc3cccc(C[N@@H+](C)Cc4cccc5ncccc45)c3)CC2)cc1OC ZINC000102428250 1069856924 /nfs/dbraw/zinc/85/69/24/1069856924.db2.gz GXRRBMDHDGMCHI-FYWRMAATSA-N 1 1 551.687 5.967 50 0 KKAAMO C[C@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ncccn2)ccc1OCC(=O)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000102678501 1069861963 /nfs/dbraw/zinc/86/19/63/1069861963.db2.gz OOIDGVKADDJTRP-HSZRJFAPSA-N 1 1 575.738 7.258 50 0 KKAAMO FC(F)(F)c1cnc(-c2cc3c(c(OC[C@@H]4CCCO4)c2)OCC[N@H+](Cc2cccs2)C3)c(Cl)c1 ZINC000102705945 1069864972 /nfs/dbraw/zinc/86/49/72/1069864972.db2.gz KHAYAUYKXBKRRZ-IBGZPJMESA-N 1 1 524.992 6.435 50 0 KKAAMO FC(F)(F)c1cnc(-c2cc3c(c(OC[C@@H]4CCCO4)c2)OCC[N@@H+](Cc2cccs2)C3)c(Cl)c1 ZINC000102705945 1069864988 /nfs/dbraw/zinc/86/49/88/1069864988.db2.gz KHAYAUYKXBKRRZ-IBGZPJMESA-N 1 1 524.992 6.435 50 0 KKAAMO COc1cc2[nH+]c(N(C)C)c(CN(CCc3ccc(F)cc3)C(=O)[C@H]3CCOC(C)(C)C3)cc2c(OC)c1OC ZINC000102712124 1069866111 /nfs/dbraw/zinc/86/61/11/1069866111.db2.gz MZBMJHQBRUTJHE-NRFANRHFSA-N 1 1 553.675 5.242 50 0 KKAAMO O=C(/C=C/c1ccccc1Cl)N1CCC(Oc2cccc(C[NH+]3CCN(c4ccccn4)CC3)c2)CC1 ZINC000020233319 1070095249 /nfs/dbraw/zinc/09/52/49/1070095249.db2.gz CDCZCDVIZWDPHW-VAWYXSNFSA-N 1 1 517.073 5.140 50 0 KKAAMO CCOC(=O)c1c(NC=C2C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)sc2c1CC[N@@H+](CC)C2 ZINC000103004173 1070968592 /nfs/dbraw/zinc/96/85/92/1070968592.db2.gz NNGPRFDQQSRHNR-HKWRFOASSA-N 1 1 536.053 5.596 50 0 KKAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583652887 1071137791 /nfs/dbraw/zinc/13/77/91/1071137791.db2.gz LLTGVRIILDILAJ-NAKRPHOHSA-N 1 1 532.681 5.141 50 0 KKAAMO C[C@@H](CNC(=O)c1ccc(N2CCCC2=O)cc1)Oc1cccc(C[N@@H+]2CC=C(c3ccc(F)cc3)CC2)c1 ZINC000011815199 1071232044 /nfs/dbraw/zinc/23/20/44/1071232044.db2.gz HJGWNCKSBZGGQQ-QHCPKHFHSA-N 1 1 527.640 5.439 50 0 KKAAMO Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(Oc4cccc(C[N@@H+](C)Cc5ccsc5)c4)CC3)cc2)n1 ZINC000011868495 1071232864 /nfs/dbraw/zinc/23/28/64/1071232864.db2.gz CDIDJGURXYNDLY-UHFFFAOYSA-N 1 1 528.722 5.925 50 0 KKAAMO C[N@@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)c1 ZINC000012218655 1071239432 /nfs/dbraw/zinc/23/94/32/1071239432.db2.gz IVVGRDWQXOUQDQ-UHFFFAOYSA-N 1 1 513.707 6.424 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1Cl ZINC000245267429 1071254589 /nfs/dbraw/zinc/25/45/89/1071254589.db2.gz LRGYBFLJIOVOAW-ZDLNPNFRSA-N 1 1 724.327 6.654 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[NH+](C)CC[C@@H]32)ccc1Cl ZINC000245267429 1071254595 /nfs/dbraw/zinc/25/45/95/1071254595.db2.gz LRGYBFLJIOVOAW-ZDLNPNFRSA-N 1 1 724.327 6.654 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[NH+](C)CC[C@@H]32)ccc1Cl ZINC000245267429 1071254604 /nfs/dbraw/zinc/25/46/04/1071254604.db2.gz LRGYBFLJIOVOAW-ZDLNPNFRSA-N 1 1 724.327 6.654 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[N@H+](CCc2ccccc2)C1 ZINC000200592234 1071291191 /nfs/dbraw/zinc/29/11/91/1071291191.db2.gz PHBRQKWIUKDRRP-URLMMPGGSA-N 1 1 534.704 5.135 50 0 KKAAMO O=C1c2ccccc2C(=C[NH2+]N(Cc2ccccc2)c2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000038186111 1072831612 /nfs/dbraw/zinc/83/16/12/1072831612.db2.gz INXNAUXUGLICAZ-IMRQLAEWSA-N 1 1 503.558 5.150 50 0 KKAAMO O=C(NCCOc1ccccc1)[C@@H]1C[C@H](COc2cccc(F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014755499 1072891964 /nfs/dbraw/zinc/89/19/64/1072891964.db2.gz SMBLORXXLGEDQR-LBNVMWSVSA-N 1 1 512.625 5.691 50 0 KKAAMO COc1cccc(C(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000014977703 1072893715 /nfs/dbraw/zinc/89/37/15/1072893715.db2.gz IPUXYZHUKIELJR-OAQYLSRUSA-N 1 1 506.668 5.488 50 0 KKAAMO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)CSc2ccccn2)C3)s1 ZINC000014999634 1072895690 /nfs/dbraw/zinc/89/56/90/1072895690.db2.gz UXYYYGDASQJEJE-OAQYLSRUSA-N 1 1 523.724 5.352 50 0 KKAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C3)cc1OC ZINC000055153789 1072899661 /nfs/dbraw/zinc/89/96/61/1072899661.db2.gz PUQOYSUIHXJMLQ-UHFFFAOYSA-N 1 1 506.002 5.818 50 0 KKAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C3)cc1OC ZINC000055153789 1072899673 /nfs/dbraw/zinc/89/96/73/1072899673.db2.gz PUQOYSUIHXJMLQ-UHFFFAOYSA-N 1 1 506.002 5.818 50 0 KKAAMO O=C(N/C(=C\c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000150601187 1072906434 /nfs/dbraw/zinc/90/64/34/1072906434.db2.gz NKQCFWGUBRCUMF-FSUXQIQLSA-N 1 1 644.779 6.639 50 0 KKAAMO O=C(c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001213051 551625598 /nfs/dbraw/zinc/62/55/98/551625598.db2.gz LNOTWWQOXHXPJH-LBNVMWSVSA-N 1 1 589.618 5.820 50 0 KKAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br ZINC000001421912 551668525 /nfs/dbraw/zinc/66/85/25/551668525.db2.gz BMDPDQKQDWHOTJ-ZFWWWQNUSA-N 1 1 527.341 5.192 50 0 KKAAMO NS(=O)(=O)c1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)cc1 ZINC000001447547 551674315 /nfs/dbraw/zinc/67/43/15/551674315.db2.gz LKIRSDCVZHHPBF-UHFFFAOYSA-N 1 1 537.567 5.408 50 0 KKAAMO COC(=O)CN1C(c2ccc(Br)cc2)=[NH+]c2ccc(Br)cc2[C@H]1c1ccccc1 ZINC000002059646 551741426 /nfs/dbraw/zinc/74/14/26/551741426.db2.gz LSNIUSMHBQUQLU-JOCHJYFZSA-N 1 1 514.217 5.868 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002061189 551742709 /nfs/dbraw/zinc/74/27/09/551742709.db2.gz OKPSOGXYILIUFU-BJKOFHAPSA-N 1 1 511.796 6.460 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccccc2OC)cc1 ZINC000002603875 552135034 /nfs/dbraw/zinc/13/50/34/552135034.db2.gz UFUSZKGVNMHJPS-MGBGTMOVSA-N 1 1 581.724 7.831 50 0 KKAAMO Cc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(C)c(Cl)c3)C[C@@H]2C)cc1 ZINC000002714236 552161184 /nfs/dbraw/zinc/16/11/84/552161184.db2.gz KQMMCTFJBJHELJ-QHCPKHFHSA-N 1 1 508.069 7.073 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000002715220 552161451 /nfs/dbraw/zinc/16/14/51/552161451.db2.gz GWUKNXAUXHWXCL-UHFFFAOYSA-N 1 1 524.668 8.120 50 0 KKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000002715015 552161506 /nfs/dbraw/zinc/16/15/06/552161506.db2.gz KBFPPUKIPSYWFL-UHFFFAOYSA-N 1 1 500.433 6.721 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(COc4c(Cl)cc(Cl)cc4Cl)o2)N3)C1 ZINC000002735936 552169920 /nfs/dbraw/zinc/16/99/20/552169920.db2.gz JHQUZZVMMXLZMZ-HXUWFJFHSA-N 1 1 512.846 6.112 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC)c(COc4ccc(F)c(Cl)c4)c2)N3)C1 ZINC000002738032 552170699 /nfs/dbraw/zinc/17/06/99/552170699.db2.gz GWJJRIWGFBLDAF-QHCPKHFHSA-N 1 1 502.011 5.360 50 0 KKAAMO C[N@@H+](Cc1cc(Br)cc(Br)c1NC(=O)c1cc2ccccc2oc1=O)C1CCCCC1 ZINC000002754363 552177170 /nfs/dbraw/zinc/17/71/70/552177170.db2.gz BPZYYGZUVLNJCC-UHFFFAOYSA-N 1 1 548.275 6.335 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000003007106 552254761 /nfs/dbraw/zinc/25/47/61/552254761.db2.gz LPCITNTVUMSDBP-UHFFFAOYSA-N 1 1 580.801 6.220 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000003007106 552254762 /nfs/dbraw/zinc/25/47/62/552254762.db2.gz LPCITNTVUMSDBP-UHFFFAOYSA-N 1 1 580.801 6.220 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)CS2)C1CCCCC1 ZINC000003042044 552273224 /nfs/dbraw/zinc/27/32/24/552273224.db2.gz LPTZMUXOBIIKJR-UHFFFAOYSA-N 1 1 504.071 5.502 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[N@@H+]3CCC[C@@H](C)C3)cc2)C1=O ZINC000003064435 552284475 /nfs/dbraw/zinc/28/44/75/552284475.db2.gz NXRHPAWVMZAATB-SOOSUCDBSA-N 1 1 539.745 6.527 50 0 KKAAMO CCOC(=O)c1c2ccc(Br)c(OCC[NH+]3CCCCC3)c2sc1NC(=O)c1ccccc1 ZINC000003146714 552297124 /nfs/dbraw/zinc/29/71/24/552297124.db2.gz QKQDYZYECTXMHB-UHFFFAOYSA-N 1 1 531.472 5.958 50 0 KKAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000006446817 552589734 /nfs/dbraw/zinc/58/97/34/552589734.db2.gz KDDJFCCNFMYHBZ-HHHXNRCGSA-N 1 1 569.503 6.121 50 0 KKAAMO CC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Cl)cc3)CC2)cc1 ZINC000008583021 553078645 /nfs/dbraw/zinc/07/86/45/553078645.db2.gz FRYXYMRXKFUKJF-UHFFFAOYSA-N 1 1 508.025 6.270 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000008583569 553080042 /nfs/dbraw/zinc/08/00/42/553080042.db2.gz FXPRKZKEPVACAU-VWLOTQADSA-N 1 1 580.150 5.718 50 0 KKAAMO Cc1oc(-c2ccc(Cl)cc2)nc1CN1CCC(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000008597500 553093271 /nfs/dbraw/zinc/09/32/71/553093271.db2.gz YJALSEIZUVMCKW-UHFFFAOYSA-N 1 1 570.565 5.497 50 0 KKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008597605 553093565 /nfs/dbraw/zinc/09/35/65/553093565.db2.gz IVVLOZPZBSDULJ-OAQYLSRUSA-N 1 1 566.123 5.185 50 0 KKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(C)ccc3C)CC2)C1 ZINC000008597807 553094028 /nfs/dbraw/zinc/09/40/28/553094028.db2.gz ZXPOFMKVXXTLDN-XMMPIXPASA-N 1 1 507.078 5.481 50 0 KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@@H+]4CCC[C@H](C)C4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000008598086 553094695 /nfs/dbraw/zinc/09/46/95/553094695.db2.gz VHDBKCPLWJLJRC-QHCPKHFHSA-N 1 1 559.732 5.148 50 0 KKAAMO O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000008722399 553129918 /nfs/dbraw/zinc/12/99/18/553129918.db2.gz HNBDYYWRONDUHF-DEOSSOPVSA-N 1 1 510.446 6.727 50 0 KKAAMO O=C1N[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000008722399 553129921 /nfs/dbraw/zinc/12/99/21/553129921.db2.gz HNBDYYWRONDUHF-DEOSSOPVSA-N 1 1 510.446 6.727 50 0 KKAAMO Cc1ccc(/C=C2\SC(=O)N(CC[N@@H+](C)CCN3C(=O)S/C(=C\c4ccccc4)C3=O)C2=O)c(C)c1 ZINC000008766746 553139069 /nfs/dbraw/zinc/13/90/69/553139069.db2.gz OLGZGQCNJUIUFY-IDUDEYGOSA-N 1 1 521.664 5.008 50 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CC[C@H]1CCCC[N@H+]1CCCn1c(=O)c2ccccc2nc1SCC(=O)NCc1ccccc1Cl ZINC000009473181 553270753 /nfs/dbraw/zinc/27/07/53/553270753.db2.gz PQFDANYFWBEJDC-NRFANRHFSA-N 1 1 513.107 5.113 50 0 KKAAMO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCC[N@H+]3CCCC[C@@H]3CC)c3ccccc3C(=O)N1CC2 ZINC000009560494 553280511 /nfs/dbraw/zinc/28/05/11/553280511.db2.gz GGWTWTKBWQQGBO-NUZLPUNMSA-N 1 1 533.713 5.092 50 0 KKAAMO CCOc1ccc(CN2c3cc(C(=O)NCC[N@H+]4CCCC[C@@H]4C)ccc3Sc3ccccc3C2=O)cc1 ZINC000009678495 553295627 /nfs/dbraw/zinc/29/56/27/553295627.db2.gz VQEQGQVUOIRMSH-QFIPXVFZSA-N 1 1 529.706 6.001 50 0 KKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)c1ccccc1S2 ZINC000009678433 553295646 /nfs/dbraw/zinc/29/56/46/553295646.db2.gz CFHYUWWCZCVLLA-LJQANCHMSA-N 1 1 524.061 6.005 50 0 KKAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000011784980 553342581 /nfs/dbraw/zinc/34/25/81/553342581.db2.gz SJVNKWSDZYCNFK-IGKIAQTJSA-N 1 1 500.668 5.402 50 0 KKAAMO CC(C)NC(=O)[C@@H]1C[C@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(OCc2ccccc2)cc1 ZINC000011784980 553342583 /nfs/dbraw/zinc/34/25/83/553342583.db2.gz SJVNKWSDZYCNFK-IGKIAQTJSA-N 1 1 500.668 5.402 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000011784539 553342708 /nfs/dbraw/zinc/34/27/08/553342708.db2.gz IHLPWWOJITUIAO-WDYNHAJCSA-N 1 1 522.674 5.548 50 0 KKAAMO C[N@H+](Cc1ccoc1)Cc1cc(-c2csc3ccccc32)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000012042892 553350671 /nfs/dbraw/zinc/35/06/71/553350671.db2.gz VTBOWPPVRKJOKV-UHFFFAOYSA-N 1 1 526.614 6.540 50 0 KKAAMO C[N@@H+](Cc1ccoc1)Cc1cc(-c2csc3ccccc32)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000012042892 553350672 /nfs/dbraw/zinc/35/06/72/553350672.db2.gz VTBOWPPVRKJOKV-UHFFFAOYSA-N 1 1 526.614 6.540 50 0 KKAAMO Cc1ccc(C(=O)N2CCCC[C@H]2CCOc2ccc(C[N@H+](C)Cc3cccc4ncccc34)cc2)cc1 ZINC000012156796 553352924 /nfs/dbraw/zinc/35/29/24/553352924.db2.gz KSUVYWWDWQLDER-LJAQVGFWSA-N 1 1 507.678 6.639 50 0 KKAAMO Cc1nc(CC(=O)N2CCC(Oc3ccc(C[N@@H+](C)Cc4cc5ccccc5s4)cc3)CC2)cs1 ZINC000012203586 553354030 /nfs/dbraw/zinc/35/40/30/553354030.db2.gz UTGMDEJTVVDBED-UHFFFAOYSA-N 1 1 505.709 5.911 50 0 KKAAMO CCCC[NH+](CCCC)CCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@H]1c1ccc(OC)cc1 ZINC000012419915 553365680 /nfs/dbraw/zinc/36/56/80/553365680.db2.gz JSOSZSHYGIBSHQ-GDLZYMKVSA-N 1 1 504.675 5.931 50 0 KKAAMO COc1ccc2c(c1)c(CC(=O)N1CC[NH+](Cc3ccccc3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000012578056 553398884 /nfs/dbraw/zinc/39/88/84/553398884.db2.gz RNZFFAUEYIFPHN-UHFFFAOYSA-N 1 1 516.041 5.187 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)C1=CC[C@@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@H+](C)CC3)OCO2 ZINC000012661580 553412406 /nfs/dbraw/zinc/41/24/06/553412406.db2.gz VUAKJXZHTKSPSZ-SBXSPWFSSA-N 1 1 533.709 5.772 50 0 biogenic KKAAMO COc1c2c(cc3c1[C@H](CC(=O)C1=CC[C@@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@@H]5CC[C@]14C)[N@@H+](C)CC3)OCO2 ZINC000012661580 553412407 /nfs/dbraw/zinc/41/24/07/553412407.db2.gz VUAKJXZHTKSPSZ-SBXSPWFSSA-N 1 1 533.709 5.772 50 0 biogenic KKAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccco1 ZINC000012731051 553420338 /nfs/dbraw/zinc/42/03/38/553420338.db2.gz WNMKUBBMOTULDF-XMMPIXPASA-N 1 1 515.013 5.605 50 0 KKAAMO CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012806133 553420981 /nfs/dbraw/zinc/42/09/81/553420981.db2.gz BNRQFTXNNMMDBC-SANMLTNESA-N 1 1 522.114 5.125 50 0 KKAAMO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4)nc4ccc(Br)cc43)CC2)cc1 ZINC000013320573 553458438 /nfs/dbraw/zinc/45/84/38/553458438.db2.gz QQHBSOUBXCNWIJ-UHFFFAOYSA-N 1 1 514.467 6.185 50 0 KKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000013713037 553486076 /nfs/dbraw/zinc/48/60/76/553486076.db2.gz NTYWGERTKQAINY-BJKOFHAPSA-N 1 1 505.803 6.215 50 0 KKAAMO Cc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2)sc2c3CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000013756459 553488278 /nfs/dbraw/zinc/48/82/78/553488278.db2.gz YJZLHYSOYRBXGW-UHFFFAOYSA-N 1 1 509.700 6.606 50 0 KKAAMO Cc1ccc(-n2c(=O)c3c(nc2SCc2ccccc2)sc2c3CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000013756459 553488279 /nfs/dbraw/zinc/48/82/79/553488279.db2.gz YJZLHYSOYRBXGW-UHFFFAOYSA-N 1 1 509.700 6.606 50 0 KKAAMO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2ncccn2)C[N@H+]1C1C2CC3CC(C2)CC1C3 ZINC000014879742 553520767 /nfs/dbraw/zinc/52/07/67/553520767.db2.gz DCESEFPOBRFPIP-CCACEFRTSA-N 1 1 518.752 5.710 50 0 KKAAMO Cc1ccc(C(=O)N2CCN(CCOc3ccc(C[N@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)cc1 ZINC000015069512 553527408 /nfs/dbraw/zinc/52/74/08/553527408.db2.gz YJJLICWVZDLJKA-UHFFFAOYSA-N 1 1 508.666 5.012 50 0 KKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1 ZINC000015827613 553537017 /nfs/dbraw/zinc/53/70/17/553537017.db2.gz MHZBEJNAERCJLB-UHFFFAOYSA-N 1 1 512.654 5.833 50 0 KKAAMO COc1ccc(-c2nc3ccc(C(=O)NCCC[N@H+]4CCC[C@@H](C)C4)cc3nc2-c2ccc(OC)cc2)cc1 ZINC000015827602 553537022 /nfs/dbraw/zinc/53/70/22/553537022.db2.gz NKQZUGWFRCYMJF-JOCHJYFZSA-N 1 1 524.665 5.833 50 0 KKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2CC)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000015946800 553544862 /nfs/dbraw/zinc/54/48/62/553544862.db2.gz HOAQCNNBBJKTLI-VXKWHMMOSA-N 1 1 509.760 6.917 50 0 KKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2CC)sc2c1CC[C@H](C(C)(C)C)C2 ZINC000015946800 553544864 /nfs/dbraw/zinc/54/48/64/553544864.db2.gz HOAQCNNBBJKTLI-VXKWHMMOSA-N 1 1 509.760 6.917 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947042 553545056 /nfs/dbraw/zinc/54/50/56/553545056.db2.gz KTCWACBAAIPOFX-RUZDIDTESA-N 1 1 505.640 5.870 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4cccc5ccccc54)c(OC)c2)N3)C1 ZINC000015947153 553545186 /nfs/dbraw/zinc/54/51/86/553545186.db2.gz HGTFWVYNDIUXQM-AREMUKBSSA-N 1 1 513.619 5.936 50 0 KKAAMO C[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(CCc4ccccc4)c(=O)c23)C1 ZINC000019707708 553615422 /nfs/dbraw/zinc/61/54/22/553615422.db2.gz VDYVYLHNANCMIC-UHFFFAOYSA-N 1 1 516.519 6.288 50 0 KKAAMO C[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(CCc4ccccc4)c(=O)c23)C1 ZINC000019707708 553615425 /nfs/dbraw/zinc/61/54/25/553615425.db2.gz VDYVYLHNANCMIC-UHFFFAOYSA-N 1 1 516.519 6.288 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccc(C)c(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699689 553616925 /nfs/dbraw/zinc/61/69/25/553616925.db2.gz CSMOWFKYSNVKIM-MRPYTORDSA-N 1 1 535.644 5.107 50 0 biogenic KKAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070700335 553618213 /nfs/dbraw/zinc/61/82/13/553618213.db2.gz YYLFFNORIFRHLW-JZMUPVMCSA-N 1 1 538.003 5.409 50 0 biogenic KKAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070700335 553618215 /nfs/dbraw/zinc/61/82/15/553618215.db2.gz YYLFFNORIFRHLW-JZMUPVMCSA-N 1 1 538.003 5.409 50 0 biogenic KKAAMO O=C(c1cc(-c2ccc(Cl)s2)nc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000019828060 553622494 /nfs/dbraw/zinc/62/24/94/553622494.db2.gz IRGPXESBSRYFAQ-UHFFFAOYSA-N 1 1 524.089 7.164 50 0 KKAAMO CCOc1cccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)c1 ZINC000019832150 553623021 /nfs/dbraw/zinc/62/30/21/553623021.db2.gz DALRZNDNCXPJHL-UHFFFAOYSA-N 1 1 527.668 6.848 50 0 KKAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070704878 553624015 /nfs/dbraw/zinc/62/40/15/553624015.db2.gz JLEJNNHBBFNPSP-BAAZAXTHSA-N 1 1 556.460 5.081 50 0 biogenic KKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000072173309 553645348 /nfs/dbraw/zinc/64/53/48/553645348.db2.gz WBNPBXSTUXIXRN-GFBRJQHFSA-N 1 1 550.124 5.519 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000072175084 553645743 /nfs/dbraw/zinc/64/57/43/553645743.db2.gz JONCTUOIKOGBBK-KSXZBKJASA-N 1 1 564.151 5.765 50 0 KKAAMO Cc1ccccc1-n1c(=O)c2c(nc1SCc1ccccc1)sc1c2CC[N@@H+](Cc2ccccc2)C1 ZINC000020029572 553664165 /nfs/dbraw/zinc/66/41/65/553664165.db2.gz OTPSCOFNYRROFO-UHFFFAOYSA-N 1 1 509.700 6.606 50 0 KKAAMO Cc1ccccc1-n1c(=O)c2c(nc1SCc1ccccc1)sc1c2CC[N@H+](Cc2ccccc2)C1 ZINC000020029572 553664166 /nfs/dbraw/zinc/66/41/66/553664166.db2.gz OTPSCOFNYRROFO-UHFFFAOYSA-N 1 1 509.700 6.606 50 0 KKAAMO CC[C@H](C)[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@@H]1c1cccs1)Cc1ccco1 ZINC000020508494 553667958 /nfs/dbraw/zinc/66/79/58/553667958.db2.gz FJAIBEYEPBUOIH-QLCOJLISSA-N 1 1 521.727 6.085 50 0 KKAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@H]3c3cccs3)cc2)CC1 ZINC000020508487 553668062 /nfs/dbraw/zinc/66/80/62/553668062.db2.gz XOMYJDZULCAASN-WDYNHAJCSA-N 1 1 530.738 5.461 50 0 KKAAMO CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020567659 553673609 /nfs/dbraw/zinc/67/36/09/553673609.db2.gz UQYKLRBDSZNMLW-UHFFFAOYSA-N 1 1 503.737 6.986 50 0 KKAAMO CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020567659 553673611 /nfs/dbraw/zinc/67/36/11/553673611.db2.gz UQYKLRBDSZNMLW-UHFFFAOYSA-N 1 1 503.737 6.986 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccc(OC)c3)n2-c2cccc(C)c2)CC1 ZINC000085410518 553680270 /nfs/dbraw/zinc/68/02/70/553680270.db2.gz FEWQYXQZGLMZRZ-UHFFFAOYSA-N 1 1 527.694 5.321 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)c(C)c1 ZINC000020687190 553689341 /nfs/dbraw/zinc/68/93/41/553689341.db2.gz RWCHXWGSPHPFOK-ZMAXYJRFSA-N 1 1 504.630 6.175 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)c(C)c1 ZINC000020687190 553689344 /nfs/dbraw/zinc/68/93/44/553689344.db2.gz RWCHXWGSPHPFOK-ZMAXYJRFSA-N 1 1 504.630 6.175 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3c(c(O)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@@H]4C2)CCN1C ZINC000085977445 553692515 /nfs/dbraw/zinc/69/25/15/553692515.db2.gz QAFGBLDGRLFICB-FQLXRVMXSA-N 1 1 638.761 6.868 50 0 KKAAMO C[N@@H+](CCCN(Cc1cccn1C1CCCC1)C(=S)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000020734465 553693343 /nfs/dbraw/zinc/69/33/43/553693343.db2.gz PLUPUYDPMGCEAO-UHFFFAOYSA-N 1 1 520.709 7.476 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](NC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(C)C ZINC000020116145 553697502 /nfs/dbraw/zinc/69/75/02/553697502.db2.gz QVFDTSQHELWKNC-FMQTYCBTSA-N 1 1 507.763 5.680 50 0 KKAAMO O[C@H](CC1c2ccccc2-c2ccccc21)C[NH+]1CCN(C[C@@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000020790579 553698097 /nfs/dbraw/zinc/69/80/97/553698097.db2.gz GJHFZSLUXJCFOI-CLJLJLNGSA-N 1 1 531.700 5.337 50 0 KKAAMO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020790244 553698112 /nfs/dbraw/zinc/69/81/12/553698112.db2.gz KJRGEHFACVOZQK-YTTGMZPUSA-N 1 1 529.728 6.853 50 0 KKAAMO O[C@H](CC1c2ccccc2-c2ccccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccccc3c3ccccc32)CC1 ZINC000020790587 553698149 /nfs/dbraw/zinc/69/81/49/553698149.db2.gz GJHFZSLUXJCFOI-FTJBHMTQSA-N 1 1 531.700 5.337 50 0 KKAAMO CCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020840471 553698903 /nfs/dbraw/zinc/69/89/03/553698903.db2.gz CVNFDXZCGIZVLP-UHFFFAOYSA-N 1 1 503.737 6.737 50 0 KKAAMO CCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020840471 553698905 /nfs/dbraw/zinc/69/89/05/553698905.db2.gz CVNFDXZCGIZVLP-UHFFFAOYSA-N 1 1 503.737 6.737 50 0 KKAAMO O=C1c2cccc3cccc(c32)C(=O)N1CCCC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020841530 553699142 /nfs/dbraw/zinc/69/91/42/553699142.db2.gz IMXQLWAJNZCCMX-UHFFFAOYSA-N 1 1 503.646 5.623 50 0 KKAAMO C[N@@H+](CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2cccc(F)c2)CC1)Cc1ccccc1 ZINC000021162333 553708574 /nfs/dbraw/zinc/70/85/74/553708574.db2.gz DVMWXUAACHLPDG-UHFFFAOYSA-N 1 1 513.661 5.078 50 0 KKAAMO CCc1cc2c(cc3n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C3=O)s1 ZINC000021522671 553710201 /nfs/dbraw/zinc/71/02/01/553710201.db2.gz VIIJNUOQAAFSPP-VDZJOXJSSA-N 1 1 526.791 5.687 50 0 KKAAMO Fc1ccc(C(CCC[N@@H+]2CC=C(Oc3ccc(OCc4ccccc4)cc3)CC2)c2ccc(F)cc2)cc1 ZINC000095918160 553715074 /nfs/dbraw/zinc/71/50/74/553715074.db2.gz BUDCFLZNBYSVAV-UHFFFAOYSA-N 1 1 525.639 8.125 50 0 KKAAMO O=C(COc1ccccc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021796695 553717436 /nfs/dbraw/zinc/71/74/36/553717436.db2.gz MUVUGYRIUJSOPU-UHFFFAOYSA-N 1 1 524.024 5.469 50 0 KKAAMO COc1ccccc1C(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021796680 553717441 /nfs/dbraw/zinc/71/74/41/553717441.db2.gz OJICOYGORIUWBG-UHFFFAOYSA-N 1 1 524.024 5.712 50 0 KKAAMO Cc1[nH]c2ccccc2c1[C@@H](c1ccccc1F)N1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccccc2F)CC1 ZINC000022030400 553722952 /nfs/dbraw/zinc/72/29/52/553722952.db2.gz SAYWINNUVICIJO-LQFQNGICSA-N 1 1 560.692 8.041 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)CC(C)(C)C)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000096277322 553733986 /nfs/dbraw/zinc/73/39/86/553733986.db2.gz IVVHDGHKTGNJLT-UHFFFAOYSA-N 1 1 516.730 6.140 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000096278182 553734606 /nfs/dbraw/zinc/73/46/06/553734606.db2.gz BLMYFABESQQRRZ-AREMUKBSSA-N 1 1 502.058 6.086 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4ccc(C)cc4)n3-c3ccc(F)cc3)c2)CC1 ZINC000096288580 553740341 /nfs/dbraw/zinc/74/03/41/553740341.db2.gz OPVREHYKBBGVFC-UHFFFAOYSA-N 1 1 515.658 5.452 50 0 KKAAMO CC[NH+]1CCN(C(=O)CCn2c3cc(Cl)c(Cl)cc3nc2Cc2c(Cl)cccc2Cl)CC1 ZINC000096288622 553740533 /nfs/dbraw/zinc/74/05/33/553740533.db2.gz VVNMFGXJSFPXCL-UHFFFAOYSA-N 1 1 514.284 5.795 50 0 KKAAMO Cc1ccc(-c2nnc(SCc3cccc(C(=O)N4CC[NH+](C)CC4)c3)n2-c2cccc(Cl)c2)cc1 ZINC000096289813 553742311 /nfs/dbraw/zinc/74/23/11/553742311.db2.gz SDAMIUXKZSTUJS-UHFFFAOYSA-N 1 1 518.086 5.576 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccs3)n2-c2ccc(C)cc2)CC1 ZINC000096290976 553744398 /nfs/dbraw/zinc/74/43/98/553744398.db2.gz SYKCBVUQBHPNMW-UHFFFAOYSA-N 1 1 503.697 5.374 50 0 KKAAMO CCC[C@H](C(=O)N1CC[NH+](CC)CC1)n1c2cc(Cl)c(Cl)cc2nc1Cc1ccccc1Cl ZINC000096291264 553745102 /nfs/dbraw/zinc/74/51/02/553745102.db2.gz UYDDWIYRVRTBGD-JOCHJYFZSA-N 1 1 507.893 6.093 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccs3)n2Cc2ccccc2)CC1 ZINC000096292330 553746293 /nfs/dbraw/zinc/74/62/93/553746293.db2.gz ORMIXPYPQUPITO-UHFFFAOYSA-N 1 1 503.697 5.125 50 0 KKAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000096298529 553748482 /nfs/dbraw/zinc/74/84/82/553748482.db2.gz LMNHSJQJTVBJIC-LNXLNJASSA-N 1 1 513.597 5.163 50 0 KKAAMO Oc1ccccc1[C@H](CC[NH+]1CCN(CC[C@@H](c2ccccc2)c2ccccc2O)CC1)c1ccccc1 ZINC000022780349 553749991 /nfs/dbraw/zinc/74/99/91/553749991.db2.gz OWMUFVWZUGNZTR-RNPORBBMSA-N 1 1 506.690 6.460 50 0 KKAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12)OC1(CCCCC1)CC3 ZINC000096343535 553752634 /nfs/dbraw/zinc/75/26/34/553752634.db2.gz YCIUCRDWESOBAM-ZEQKJWHPSA-N 1 1 506.687 5.443 50 0 KKAAMO Fc1ccc(-n2c(=S)n(CN3CC[NH+](C/C=C/c4ccccc4)CC3)nc2-c2ccccc2)c(F)c1 ZINC000022927079 553767398 /nfs/dbraw/zinc/76/73/98/553767398.db2.gz BSDWXJCMKPERPN-JXMROGBWSA-N 1 1 503.622 5.637 50 0 KKAAMO O=C(c1cc(F)cc(F)c1)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023433485 553776216 /nfs/dbraw/zinc/77/62/16/553776216.db2.gz MGGYMVRXYQIBDC-UHFFFAOYSA-N 1 1 519.419 6.226 50 0 KKAAMO CCOc1cccc(-c2cccc(-c3nc(C[N@@H+]4CCC[C@@H]4COc4ccccc4OC)cs3)c2)c1 ZINC000025152088 553796975 /nfs/dbraw/zinc/79/69/75/553796975.db2.gz DNFCBDHXENACSL-AREMUKBSSA-N 1 1 500.664 6.928 50 0 KKAAMO CCOc1cccc(-c2cccc(-c3nc(C[N@H+]4CCC[C@@H]4COc4ccccc4OC)cs3)c2)c1 ZINC000025152088 553796976 /nfs/dbraw/zinc/79/69/76/553796976.db2.gz DNFCBDHXENACSL-AREMUKBSSA-N 1 1 500.664 6.928 50 0 KKAAMO O=C(NCCC[NH+]1CCOCC1)c1sc2c(c1Cl)c(-c1ccc(Cl)cc1)nn2-c1ccccc1 ZINC000025336786 553806464 /nfs/dbraw/zinc/80/64/64/553806464.db2.gz STOWJYYRPAWSPO-UHFFFAOYSA-N 1 1 515.466 5.513 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Br)cc2)cc1OC ZINC000025575506 553810404 /nfs/dbraw/zinc/81/04/04/553810404.db2.gz QDPZSALRNGWBHN-LOSJGSFVSA-N 1 1 517.383 5.271 50 0 KKAAMO CCOC(=O)[C@H]([NH3+])C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000025782741 553813843 /nfs/dbraw/zinc/81/38/43/553813843.db2.gz IRXUOCSUSVKRCQ-AREMUKBSSA-N 1 1 525.774 7.310 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000097955821 553834331 /nfs/dbraw/zinc/83/43/31/553834331.db2.gz ZYUXEJIHMGZJNZ-BAVAKQCBSA-N 1 1 534.015 5.508 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000097955821 553834332 /nfs/dbraw/zinc/83/43/32/553834332.db2.gz ZYUXEJIHMGZJNZ-BAVAKQCBSA-N 1 1 534.015 5.508 50 0 KKAAMO Cc1nc(SCc2cccc(C(=O)N(C)Cc3ccccc3)c2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097955961 553835252 /nfs/dbraw/zinc/83/52/52/553835252.db2.gz YATLQCQYKHPKHC-GZTJUZNOSA-N 1 1 577.798 6.493 50 0 KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000030726949 553855637 /nfs/dbraw/zinc/85/56/37/553855637.db2.gz DFOCUWZXJBAUSQ-FQLXRVMXSA-N 1 1 608.735 6.859 50 0 in-vitro KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@H]3[N@H+](C)CC2)N(C)CC4 ZINC000030726949 553855633 /nfs/dbraw/zinc/85/56/33/553855633.db2.gz DFOCUWZXJBAUSQ-FQLXRVMXSA-N 1 1 608.735 6.859 50 0 in-vitro KKAAMO C[N@H+]1CCc2cccc3c2[C@H]1Cc1ccc(OC(=O)c2ccc(F)cc2)c(OC(=O)c2ccc(F)cc2)c1-3 ZINC000031283290 553861229 /nfs/dbraw/zinc/86/12/29/553861229.db2.gz DOABYPDJDXYVHO-RUZDIDTESA-N 1 1 511.524 6.155 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963413 553889803 /nfs/dbraw/zinc/88/98/03/553889803.db2.gz OEVANWWTRPIGRR-RTBURBONSA-N 1 1 596.800 5.453 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)O[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963413 553889806 /nfs/dbraw/zinc/88/98/06/553889806.db2.gz OEVANWWTRPIGRR-RTBURBONSA-N 1 1 596.800 5.453 50 0 KKAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)cc1 ZINC000097963425 553890171 /nfs/dbraw/zinc/89/01/71/553890171.db2.gz VIYWMMCQNUKAEQ-UHFFFAOYSA-N 1 1 568.790 6.074 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000097963498 553891134 /nfs/dbraw/zinc/89/11/34/553891134.db2.gz UJPBXBSCYSARIG-UHFFFAOYSA-N 1 1 676.889 7.582 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000097963498 553891138 /nfs/dbraw/zinc/89/11/38/553891138.db2.gz UJPBXBSCYSARIG-UHFFFAOYSA-N 1 1 676.889 7.582 50 0 KKAAMO COc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc(C)cc2)cc1Br ZINC000033354153 553928613 /nfs/dbraw/zinc/92/86/13/553928613.db2.gz WDCOYEJUCVFKCD-UHFFFAOYSA-N 1 1 648.623 5.895 50 0 KKAAMO CCc1ccccc1N(CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000033354160 553928636 /nfs/dbraw/zinc/92/86/36/553928636.db2.gz AOPUAMYWQDRVDF-UHFFFAOYSA-N 1 1 567.755 5.687 50 0 KKAAMO Cc1ccc(C)c(N2CC[NH+](CCN3C(=O)c4ccc(-c5ccco5)n4C[C@@]3(C)C(=O)NC3CCCCCC3)CC2)c1 ZINC000033356769 553944225 /nfs/dbraw/zinc/94/42/25/553944225.db2.gz OKPNWIWEABUDNZ-UMSFTDKQSA-N 1 1 571.766 5.241 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1[NH2+]CCc3cc(OC)c(cc31)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000033357222 553947413 /nfs/dbraw/zinc/94/74/13/553947413.db2.gz JFOOZQIJNIJCOW-VMPREFPWSA-N 1 1 638.761 6.829 50 0 biogenic KKAAMO C[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@@H](C(C)(C)C)C2 ZINC000033705918 553969244 /nfs/dbraw/zinc/96/92/44/553969244.db2.gz PNCUAYJPWKXRAB-ZWKOTPCHSA-N 1 1 502.124 6.618 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@@H](C(C)(C)C)C2 ZINC000033705918 553969246 /nfs/dbraw/zinc/96/92/46/553969246.db2.gz PNCUAYJPWKXRAB-ZWKOTPCHSA-N 1 1 502.124 6.618 50 0 KKAAMO O=C(c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097976924 553973472 /nfs/dbraw/zinc/97/34/72/553973472.db2.gz QWOAJDUGWATLMB-UHFFFAOYSA-N 1 1 541.577 5.963 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667439 553981817 /nfs/dbraw/zinc/98/18/17/553981817.db2.gz BNXKOUINDZOVPG-ACHIHNKUSA-N 1 1 526.627 6.586 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667439 553981821 /nfs/dbraw/zinc/98/18/21/553981821.db2.gz BNXKOUINDZOVPG-ACHIHNKUSA-N 1 1 526.627 6.586 50 0 KKAAMO COc1ccc(C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H](O)c2ccc(OCc3ccccc3)c(NC=O)c2)cc1 ZINC000034657172 553981831 /nfs/dbraw/zinc/98/18/31/553981831.db2.gz RVGUTXYKHMDBPX-GOXGLGGOSA-N 1 1 524.661 6.009 50 0 KKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@@H]2c2ccccc2)c1 ZINC000034671834 553982653 /nfs/dbraw/zinc/98/26/53/553982653.db2.gz SJICJDFQSJIVDR-BNHRFMORSA-N 1 1 508.637 6.366 50 0 KKAAMO Cc1ccccc1C(=O)N(Cc1ccc(C(F)(F)F)cc1)c1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000034675512 553982939 /nfs/dbraw/zinc/98/29/39/553982939.db2.gz JWXKGUNGOLLNRD-UHFFFAOYSA-N 1 1 509.572 5.177 50 0 KKAAMO Cc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH+](Cc4cccc(Oc5ccccc5)c4)CC3)nc2)cc1 ZINC000034682142 553985673 /nfs/dbraw/zinc/98/56/73/553985673.db2.gz XJPNZXYRJDIBNJ-UHFFFAOYSA-N 1 1 514.651 5.305 50 0 KKAAMO COc1cccc(N(C(=O)c2cccc(Cl)c2)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)c1 ZINC000034683618 553985843 /nfs/dbraw/zinc/98/58/43/553985843.db2.gz IFNASFFPUSBUIQ-UHFFFAOYSA-N 1 1 525.045 5.686 50 0 KKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccccc3C)CC2)c(OC)c1OC ZINC000034683928 553986423 /nfs/dbraw/zinc/98/64/23/553986423.db2.gz BTKSNQBKEMZNLH-UHFFFAOYSA-N 1 1 528.646 5.020 50 0 KKAAMO CCc1ccc(N(C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000034683972 553986621 /nfs/dbraw/zinc/98/66/21/553986621.db2.gz GCWREIQNYVFSME-UHFFFAOYSA-N 1 1 524.683 5.135 50 0 KKAAMO O=C(c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)o1)N1CCOCC1 ZINC000034685563 553987097 /nfs/dbraw/zinc/98/70/97/553987097.db2.gz LRNYSUWQHILJGX-WJOKGBTCSA-N 1 1 526.608 5.618 50 0 KKAAMO O=C(c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)o1)N1CCOCC1 ZINC000034685563 553987099 /nfs/dbraw/zinc/98/70/99/553987099.db2.gz LRNYSUWQHILJGX-WJOKGBTCSA-N 1 1 526.608 5.618 50 0 KKAAMO COc1ccc(C[N@@H+](C[C@@H](Oc2ccc(F)cc2)C(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000034697101 553991193 /nfs/dbraw/zinc/99/11/93/553991193.db2.gz FMRDMGHVPJEUGY-MUUNZHRXSA-N 1 1 526.605 5.157 50 0 KKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)C2)o1 ZINC000034699118 553992047 /nfs/dbraw/zinc/99/20/47/553992047.db2.gz CNTXCCWOMMLYHD-KCWPFWIISA-N 1 1 516.579 6.760 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000034699137 553992418 /nfs/dbraw/zinc/99/24/18/553992418.db2.gz ZPDPGUJIQJJTSK-ZEQKJWHPSA-N 1 1 500.630 6.781 50 0 KKAAMO CC(C)N(C[C@@H]1C[N@@H+](CC2CCCCC2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699150 553992456 /nfs/dbraw/zinc/99/24/56/553992456.db2.gz XSLRPMKHGXJIJI-RPLLCQBOSA-N 1 1 504.612 6.991 50 0 KKAAMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699361 553992711 /nfs/dbraw/zinc/99/27/11/553992711.db2.gz YIPQTEYEQKRBKX-SHQCIBLASA-N 1 1 514.563 6.117 50 0 KKAAMO Cc1cc([C@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716781 553995634 /nfs/dbraw/zinc/99/56/34/553995634.db2.gz QOWNPVISDLPHGN-NSOVKSMOSA-N 1 1 503.637 5.223 50 0 KKAAMO COc1cccc(N2CCN(C(=O)c3ccc(C)nc3C3CC[NH+](Cc4ccc(F)cc4F)CC3)CC2)c1 ZINC000034730221 553997364 /nfs/dbraw/zinc/99/73/64/553997364.db2.gz UTZHMHNAMILRDD-UHFFFAOYSA-N 1 1 520.624 5.019 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034787766 554005349 /nfs/dbraw/zinc/00/53/49/554005349.db2.gz GYICLMBRLWDDLF-GDLZYMKVSA-N 1 1 515.723 5.286 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034787766 554005345 /nfs/dbraw/zinc/00/53/45/554005345.db2.gz GYICLMBRLWDDLF-GDLZYMKVSA-N 1 1 515.723 5.286 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034787877 554005441 /nfs/dbraw/zinc/00/54/41/554005441.db2.gz MVHYNNWEOMDLLE-SANMLTNESA-N 1 1 527.612 5.007 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000034787877 554005438 /nfs/dbraw/zinc/00/54/38/554005438.db2.gz MVHYNNWEOMDLLE-SANMLTNESA-N 1 1 527.612 5.007 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034829611 554012006 /nfs/dbraw/zinc/01/20/06/554012006.db2.gz YLZIQSUTTBYZCN-DJUQAAIZSA-N 1 1 515.723 5.411 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000034829611 554012010 /nfs/dbraw/zinc/01/20/10/554012010.db2.gz YLZIQSUTTBYZCN-DJUQAAIZSA-N 1 1 515.723 5.411 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)[C@H](C)C2)cc1 ZINC000034829955 554013536 /nfs/dbraw/zinc/01/35/36/554013536.db2.gz KZDGHLNPAVBANO-HRFSGMKKSA-N 1 1 523.102 5.422 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)[C@H](C)C2)cc1 ZINC000034829955 554013540 /nfs/dbraw/zinc/01/35/40/554013540.db2.gz KZDGHLNPAVBANO-HRFSGMKKSA-N 1 1 523.102 5.422 50 0 KKAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000034830073 554014345 /nfs/dbraw/zinc/01/43/45/554014345.db2.gz JYPNYUVXDPUTTN-MHZLTWQESA-N 1 1 508.087 5.114 50 0 KKAAMO CC[C@@H](C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830209 554014765 /nfs/dbraw/zinc/01/47/65/554014765.db2.gz KJVJFTYMPTXSBF-RNAHPLFWSA-N 1 1 515.723 5.259 50 0 KKAAMO Cc1ccc(C(=O)N2CCCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034830233 554014895 /nfs/dbraw/zinc/01/48/95/554014895.db2.gz FXLFMUCVTSVBQR-GDLZYMKVSA-N 1 1 501.696 5.077 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000034830256 554015291 /nfs/dbraw/zinc/01/52/91/554015291.db2.gz ZRLFWKYXLLYDCH-LYZGTLIUSA-N 1 1 522.114 5.421 50 0 KKAAMO CC[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830414 554015818 /nfs/dbraw/zinc/01/58/18/554015818.db2.gz QLBLTERBNPVWOT-QVNGGLPSSA-N 1 1 529.750 5.647 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830586 554016444 /nfs/dbraw/zinc/01/64/44/554016444.db2.gz QFHVEBHURJSVJE-KMRXNPHXSA-N 1 1 520.674 5.298 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899133 554023927 /nfs/dbraw/zinc/02/39/27/554023927.db2.gz SXXSYXTZECCWKB-SJORKVTESA-N 1 1 516.530 5.645 50 0 KKAAMO COc1c(C)cc([C@@H]2CCc3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cn3C2)cc1C ZINC000034899217 554023913 /nfs/dbraw/zinc/02/39/13/554023913.db2.gz BEIJHSJRKPQHHV-MUUNZHRXSA-N 1 1 534.704 5.786 50 0 KKAAMO CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097986526 554024995 /nfs/dbraw/zinc/02/49/95/554024995.db2.gz PVTIOVJLFRPTOM-AREMUKBSSA-N 1 1 656.899 7.789 50 0 KKAAMO CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097986526 554024998 /nfs/dbraw/zinc/02/49/98/554024998.db2.gz PVTIOVJLFRPTOM-AREMUKBSSA-N 1 1 656.899 7.789 50 0 KKAAMO O=C(c1cnn2c1N[C@H](c1ccc(Br)cc1)C=C2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097999974 554047504 /nfs/dbraw/zinc/04/75/04/554047504.db2.gz XOBSTJHLJXKKHV-SANMLTNESA-N 1 1 622.489 6.763 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2C)CC[N@H+](C)C4)cc1 ZINC000035427165 554050769 /nfs/dbraw/zinc/05/07/69/554050769.db2.gz IKQQIOAWEZFYJI-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2C)CC[N@@H+](C)C4)cc1 ZINC000035427165 554050772 /nfs/dbraw/zinc/05/07/72/554050772.db2.gz IKQQIOAWEZFYJI-MUUNZHRXSA-N 1 1 512.679 6.289 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)c1 ZINC000035427222 554051004 /nfs/dbraw/zinc/05/10/04/554051004.db2.gz PPGLHCXLAOPWOS-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)c1 ZINC000035427222 554051006 /nfs/dbraw/zinc/05/10/06/554051006.db2.gz PPGLHCXLAOPWOS-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000035427212 554051028 /nfs/dbraw/zinc/05/10/28/554051028.db2.gz WCPRXGDSMRYIJW-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000035427212 554051030 /nfs/dbraw/zinc/05/10/30/554051030.db2.gz WCPRXGDSMRYIJW-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)cc1 ZINC000035427216 554051045 /nfs/dbraw/zinc/05/10/45/554051045.db2.gz RWOODVLTMFEULJ-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427216 554051043 /nfs/dbraw/zinc/05/10/43/554051043.db2.gz RWOODVLTMFEULJ-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2F)CC[N@@H+](C)C4)cc1 ZINC000035427182 554051211 /nfs/dbraw/zinc/05/12/11/554051211.db2.gz KTFRPVLBLKAFQA-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2F)CC[N@H+](C)C4)cc1 ZINC000035427182 554051207 /nfs/dbraw/zinc/05/12/07/554051207.db2.gz KTFRPVLBLKAFQA-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@@H+](C)CC4)cc1Cl ZINC000035427372 554052344 /nfs/dbraw/zinc/05/23/44/554052344.db2.gz RAHGFESYCHZKFQ-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccccc2)C[N@H+](C)CC4)cc1Cl ZINC000035427372 554052341 /nfs/dbraw/zinc/05/23/41/554052341.db2.gz RAHGFESYCHZKFQ-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO CSc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@H+](C)CC4)c1 ZINC000035427386 554052360 /nfs/dbraw/zinc/05/23/60/554052360.db2.gz IOQLBUJUXRTCOL-AREMUKBSSA-N 1 1 500.693 6.386 50 0 KKAAMO CSc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@@H+](C)CC4)c1 ZINC000035427386 554052357 /nfs/dbraw/zinc/05/23/57/554052357.db2.gz IOQLBUJUXRTCOL-AREMUKBSSA-N 1 1 500.693 6.386 50 0 KKAAMO COc1ccc(-c2nc3ccccc3c(N(CCC[NH+]3CCOCC3)CCC(=O)NCc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000098009835 554071734 /nfs/dbraw/zinc/07/17/34/554071734.db2.gz WHWMABUNCZSSQF-UHFFFAOYSA-N 1 1 607.677 5.559 50 0 KKAAMO COc1ccc(OC[C@H](O)C[N@@H+](Cc2cccn2Cc2ccc(C(C)(C)C)cc2)C2CCCCC2)cc1 ZINC000035840647 554080414 /nfs/dbraw/zinc/08/04/14/554080414.db2.gz CIJLPTXUZLNAFG-GDLZYMKVSA-N 1 1 504.715 6.417 50 0 KKAAMO O=C(C[N@@H+](Cc1cccc(F)c1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000035843686 554082429 /nfs/dbraw/zinc/08/24/29/554082429.db2.gz DOZORFAHLDNTPO-UHFFFAOYSA-N 1 1 524.467 6.850 50 0 KKAAMO O=C(C[N@H+](Cc1cccc(F)c1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000035843686 554082432 /nfs/dbraw/zinc/08/24/32/554082432.db2.gz DOZORFAHLDNTPO-UHFFFAOYSA-N 1 1 524.467 6.850 50 0 KKAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cccc(C(F)(F)F)c3)c[nH]c21 ZINC000035889046 554089630 /nfs/dbraw/zinc/08/96/30/554089630.db2.gz OCIQZMHLWGZUNW-MHZLTWQESA-N 1 1 519.611 6.616 50 0 KKAAMO O=C(c1cccc(CN2C(=O)CSc3ccccc32)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098017242 554107133 /nfs/dbraw/zinc/10/71/33/554107133.db2.gz VYHRLJMXRLQSPZ-UHFFFAOYSA-N 1 1 533.697 5.873 50 0 KKAAMO CCn1cc([C@@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cccc(Cl)c2)c2ccccc21 ZINC000098021320 554117999 /nfs/dbraw/zinc/11/79/99/554117999.db2.gz LORKNIOPVFGFNF-YTTGMZPUSA-N 1 1 562.157 7.770 50 0 KKAAMO CCn1cc([C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc(C)cc2)c2ccccc21 ZINC000098022952 554119995 /nfs/dbraw/zinc/11/99/95/554119995.db2.gz PGQOWSINZYRMSQ-MGBGTMOVSA-N 1 1 541.739 7.425 50 0 KKAAMO CC[C@H](NC(=O)c1cccc(OC)c1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048297 554154211 /nfs/dbraw/zinc/15/42/11/554154211.db2.gz HRLHKXRLRFQQLU-LITSAYRRSA-N 1 1 504.627 5.029 50 0 KKAAMO CC[C@H](NC(=O)c1cccc(OC)c1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048297 554154216 /nfs/dbraw/zinc/15/42/16/554154216.db2.gz HRLHKXRLRFQQLU-LITSAYRRSA-N 1 1 504.627 5.029 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3cccc(C)c3)n2)C1 ZINC000036064028 554162643 /nfs/dbraw/zinc/16/26/43/554162643.db2.gz RZBVOXYJCVWIPW-RUZDIDTESA-N 1 1 528.653 5.125 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3cccc(C)c3)n2)C1 ZINC000036064028 554162641 /nfs/dbraw/zinc/16/26/41/554162641.db2.gz RZBVOXYJCVWIPW-RUZDIDTESA-N 1 1 528.653 5.125 50 0 KKAAMO CCOc1cc2c(cc1OCC)[C@@H]1[C@H](C(=O)NCCC[N@H+]3CCCC[C@H]3CC)c3ccccc3C(=O)N1CC2 ZINC000036075094 554174181 /nfs/dbraw/zinc/17/41/81/554174181.db2.gz GGWTWTKBWQQGBO-OENWMMNHSA-N 1 1 533.713 5.092 50 0 KKAAMO OC(c1ccc(C[N@H+](CCN2CCOCC2)Cc2cccs2)o1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000036154626 554198476 /nfs/dbraw/zinc/19/84/76/554198476.db2.gz FSXZTZYOFVQPBZ-UHFFFAOYSA-N 1 1 524.633 5.238 50 0 KKAAMO OC(c1ccc(C[N@@H+](CCN2CCOCC2)Cc2cccs2)o1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000036154626 554198481 /nfs/dbraw/zinc/19/84/81/554198481.db2.gz FSXZTZYOFVQPBZ-UHFFFAOYSA-N 1 1 524.633 5.238 50 0 KKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1OC ZINC000036167841 554200045 /nfs/dbraw/zinc/20/00/45/554200045.db2.gz PQCBMSBEFNSNLE-UHFFFAOYSA-N 1 1 507.577 5.889 50 0 KKAAMO COCCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccccc1OC ZINC000036167841 554200040 /nfs/dbraw/zinc/20/00/40/554200040.db2.gz PQCBMSBEFNSNLE-UHFFFAOYSA-N 1 1 507.577 5.889 50 0 KKAAMO Cc1ccccc1C[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)C[C@@H]1CCCO1 ZINC000036203246 554201059 /nfs/dbraw/zinc/20/10/59/554201059.db2.gz IMFHNUOKKPMJII-NDEPHWFRSA-N 1 1 503.589 6.332 50 0 KKAAMO COc1cccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@@H]2CCCO2)c1 ZINC000036203372 554201110 /nfs/dbraw/zinc/20/11/10/554201110.db2.gz VHZDZGPTBFWAKH-NDEPHWFRSA-N 1 1 519.588 6.032 50 0 KKAAMO COc1cccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@@H]2CCCO2)c1 ZINC000036203372 554201106 /nfs/dbraw/zinc/20/11/06/554201106.db2.gz VHZDZGPTBFWAKH-NDEPHWFRSA-N 1 1 519.588 6.032 50 0 KKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccc(OC)c1 ZINC000036203406 554201237 /nfs/dbraw/zinc/20/12/37/554201237.db2.gz JCJALPWIIXKELC-UHFFFAOYSA-N 1 1 501.623 6.002 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@@H+](Cc3cc(OC)cc(OC)c3)C(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000036203681 554201302 /nfs/dbraw/zinc/20/13/02/554201302.db2.gz AXHRQQCYYBLKGZ-UHFFFAOYSA-N 1 1 531.649 6.009 50 0 KKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccc(OC)cc1)CC1CC1 ZINC000036301715 554211789 /nfs/dbraw/zinc/21/17/89/554211789.db2.gz DMTHSWOYGWSFSY-QHCPKHFHSA-N 1 1 500.039 5.244 50 0 KKAAMO Cc1nn(-c2ccc(Cl)cc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036301901 554211907 /nfs/dbraw/zinc/21/19/07/554211907.db2.gz RLQAOBIKYFYYJR-MHZLTWQESA-N 1 1 502.058 6.442 50 0 KKAAMO CCC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036302211 554211978 /nfs/dbraw/zinc/21/19/78/554211978.db2.gz RFKOKGYSUKYGQU-SANMLTNESA-N 1 1 503.618 6.284 50 0 KKAAMO CCC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036302211 554211982 /nfs/dbraw/zinc/21/19/82/554211982.db2.gz RFKOKGYSUKYGQU-SANMLTNESA-N 1 1 503.618 6.284 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CCOC)C[C@@H](O)Cc1ccccc1 ZINC000036303107 554212754 /nfs/dbraw/zinc/21/27/54/554212754.db2.gz UQLNTKJNHBLHKP-VWLOTQADSA-N 1 1 503.618 5.418 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CCOC)C[C@@H](O)Cc1ccccc1 ZINC000036303107 554212757 /nfs/dbraw/zinc/21/27/57/554212757.db2.gz UQLNTKJNHBLHKP-VWLOTQADSA-N 1 1 503.618 5.418 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000036303487 554213300 /nfs/dbraw/zinc/21/33/00/554213300.db2.gz RGCHIPDRWSIQIK-VWLOTQADSA-N 1 1 506.046 5.678 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000036303487 554213303 /nfs/dbraw/zinc/21/33/03/554213303.db2.gz RGCHIPDRWSIQIK-VWLOTQADSA-N 1 1 506.046 5.678 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036303973 554213807 /nfs/dbraw/zinc/21/38/07/554213807.db2.gz QIYCJSKFJZHTPJ-DEOSSOPVSA-N 1 1 501.618 5.743 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036303585 554213895 /nfs/dbraw/zinc/21/38/95/554213895.db2.gz XSYUWKVVUQOOHB-AREMUKBSSA-N 1 1 502.058 6.442 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000036304332 554214242 /nfs/dbraw/zinc/21/42/42/554214242.db2.gz UCZGSFUTSSQHNL-SANMLTNESA-N 1 1 501.627 5.034 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)Cc1ccccc1 ZINC000036304332 554214238 /nfs/dbraw/zinc/21/42/38/554214238.db2.gz UCZGSFUTSSQHNL-SANMLTNESA-N 1 1 501.627 5.034 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000036304321 554214266 /nfs/dbraw/zinc/21/42/66/554214266.db2.gz GFKLBZLWHPJNDO-HHHXNRCGSA-N 1 1 531.653 5.008 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H](O)COCc1ccccc1 ZINC000036304321 554214269 /nfs/dbraw/zinc/21/42/69/554214269.db2.gz GFKLBZLWHPJNDO-HHHXNRCGSA-N 1 1 531.653 5.008 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COC(C)(C)C ZINC000036305095 554214865 /nfs/dbraw/zinc/21/48/65/554214865.db2.gz ZRYDXWWGXNPSPI-JOCHJYFZSA-N 1 1 502.055 5.157 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)Cc1ccccc1 ZINC000036305076 554214989 /nfs/dbraw/zinc/21/49/89/554214989.db2.gz AQDSWDLEBJLJAR-RUZDIDTESA-N 1 1 506.046 5.585 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](Cc3ccco3)C[C@@H](O)COCC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305369 554215405 /nfs/dbraw/zinc/21/54/05/554215405.db2.gz YDXZDRQZOXENBG-XMMPIXPASA-N 1 1 519.642 5.517 50 0 KKAAMO COc1cccc(Oc2c(C[N@H+](Cc3ccco3)C[C@@H](O)COCC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305369 554215408 /nfs/dbraw/zinc/21/54/08/554215408.db2.gz YDXZDRQZOXENBG-XMMPIXPASA-N 1 1 519.642 5.517 50 0 KKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036307641 554216136 /nfs/dbraw/zinc/21/61/36/554216136.db2.gz CPGBYFWCJTYAOY-SANMLTNESA-N 1 1 503.618 5.808 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036307869 554216354 /nfs/dbraw/zinc/21/63/54/554216354.db2.gz KFEIFKXYLLAHEV-VWLOTQADSA-N 1 1 515.629 6.331 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036307869 554216358 /nfs/dbraw/zinc/21/63/58/554216358.db2.gz KFEIFKXYLLAHEV-VWLOTQADSA-N 1 1 515.629 6.331 50 0 KKAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307498 554216432 /nfs/dbraw/zinc/21/64/32/554216432.db2.gz GLDIDBNLQLOUKO-DEOSSOPVSA-N 1 1 507.606 5.647 50 0 KKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1 ZINC000036307498 554216428 /nfs/dbraw/zinc/21/64/28/554216428.db2.gz GLDIDBNLQLOUKO-DEOSSOPVSA-N 1 1 507.606 5.647 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@H](O)Cc2ccccc2)c1Oc1ccc(F)cc1 ZINC000036307490 554216448 /nfs/dbraw/zinc/21/64/48/554216448.db2.gz DAGFDCUPQUIYJM-AREMUKBSSA-N 1 1 511.597 6.217 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@H](O)Cc2ccccc2)c1Oc1ccc(F)cc1 ZINC000036307490 554216445 /nfs/dbraw/zinc/21/64/45/554216445.db2.gz DAGFDCUPQUIYJM-AREMUKBSSA-N 1 1 511.597 6.217 50 0 KKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312985 554218794 /nfs/dbraw/zinc/21/87/94/554218794.db2.gz NKFABLUOSZMBHI-SANMLTNESA-N 1 1 501.627 5.505 50 0 KKAAMO O[C@H](COCc1ccccc1)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036312985 554218796 /nfs/dbraw/zinc/21/87/96/554218796.db2.gz NKFABLUOSZMBHI-SANMLTNESA-N 1 1 501.627 5.505 50 0 KKAAMO CCOc1ccc([C@H]2CC(c3ccccc3Cl)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344011 554222337 /nfs/dbraw/zinc/22/23/37/554222337.db2.gz GKBDGFFOMZQSAY-GDLZYMKVSA-N 1 1 517.073 5.234 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(Cc4ccccc4)n3-c3ccccc3C)cc2)CC1 ZINC000037397997 554240274 /nfs/dbraw/zinc/24/02/74/554240274.db2.gz ZYQDAASCQMWMOE-UHFFFAOYSA-N 1 1 511.695 5.237 50 0 KKAAMO CCOC(=O)c1c2cc(O)ccc2n(Cc2ccccc2)c1C[NH+]1CCC(C(=O)OCC)(c2ccccc2)CC1 ZINC000100215500 554250119 /nfs/dbraw/zinc/25/01/19/554250119.db2.gz WDDMBQYQJYJZCL-UHFFFAOYSA-N 1 1 540.660 5.669 50 0 KKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000038146807 554269852 /nfs/dbraw/zinc/26/98/52/554269852.db2.gz SQKDINORIMCUSU-CHZMNLISSA-N 1 1 533.669 5.005 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3c(c(O)c(OC)c(OC)c3Oc3cc4c(cc3OC)CC[N@H+](C)[C@H]4C2)CCN1C ZINC000044281335 554301510 /nfs/dbraw/zinc/30/15/10/554301510.db2.gz QAFGBLDGRLFICB-VMPREFPWSA-N 1 1 638.761 6.868 50 0 biogenic KKAAMO O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000044838462 554303898 /nfs/dbraw/zinc/30/38/98/554303898.db2.gz HHGMRAORMASLGF-UHFFFAOYSA-N 1 1 501.428 5.387 50 0 KKAAMO O=C(COc1ccccc1F)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000046853947 554320859 /nfs/dbraw/zinc/32/08/59/554320859.db2.gz LTUUROKUQJXMEO-UHFFFAOYSA-N 1 1 542.014 5.608 50 0 KKAAMO CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[NH2+]Cc3cccnc3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000053353447 554344681 /nfs/dbraw/zinc/34/46/81/554344681.db2.gz QDTNRGXLAFVRPZ-GOSISDBHSA-N 1 1 555.542 6.037 50 0 KKAAMO COc1ccc([C@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000054105770 554348725 /nfs/dbraw/zinc/34/87/25/554348725.db2.gz PNJPTHNGBADFQK-GDLZYMKVSA-N 1 1 529.681 6.677 50 0 KKAAMO CCc1cc([C@H](c2ccc(OC)cc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000054105798 554349060 /nfs/dbraw/zinc/34/90/60/554349060.db2.gz NFQSJQFJAZQABQ-LJAQVGFWSA-N 1 1 529.681 6.622 50 0 KKAAMO Cc1cc(Cl)ccc1OCC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000100365778 554352121 /nfs/dbraw/zinc/35/21/21/554352121.db2.gz CTGRNTQDDYJVBG-UHFFFAOYSA-N 1 1 543.520 5.516 50 0 KKAAMO CCOc1cc(C(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc(OCC)c1OCC ZINC000057285491 554353738 /nfs/dbraw/zinc/35/37/38/554353738.db2.gz JCRGEKQDYJCXEG-UHFFFAOYSA-N 1 1 521.633 5.596 50 0 KKAAMO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc2cccnc2)C[C@@H](C(C)(C)C)CC3)c(C)c1 ZINC000057311968 554353756 /nfs/dbraw/zinc/35/37/56/554353756.db2.gz GAQQHYIOMOLAKS-NRFANRHFSA-N 1 1 504.700 5.892 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059785524 554430229 /nfs/dbraw/zinc/43/02/29/554430229.db2.gz QYQDPBFSISDNBS-RHDHJKTESA-N 1 1 527.624 5.417 50 0 KKAAMO O=C(c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059821402 554431339 /nfs/dbraw/zinc/43/13/39/554431339.db2.gz LKEZUIPKVRSZDM-UKILVPOCSA-N 1 1 551.638 6.152 50 0 KKAAMO c1ccc(C(NCCOCCOCC[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000100729252 554459018 /nfs/dbraw/zinc/45/90/18/554459018.db2.gz IJRHQBAXGORRJF-UHFFFAOYSA-N 1 1 632.848 8.183 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1cccc(C(F)(F)F)c1 ZINC000100818168 554478440 /nfs/dbraw/zinc/47/84/40/554478440.db2.gz DKVOIQFWYGTHFO-UHFFFAOYSA-N 1 1 549.643 7.854 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1cccc(C(F)(F)F)c1 ZINC000100818168 554478443 /nfs/dbraw/zinc/47/84/43/554478443.db2.gz DKVOIQFWYGTHFO-UHFFFAOYSA-N 1 1 549.643 7.854 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000100863372 554496205 /nfs/dbraw/zinc/49/62/05/554496205.db2.gz PKIGYWAGCGGMGZ-PUHABZHSSA-N 1 1 519.988 5.647 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000100863372 554496207 /nfs/dbraw/zinc/49/62/07/554496207.db2.gz PKIGYWAGCGGMGZ-PUHABZHSSA-N 1 1 519.988 5.647 50 0 KKAAMO Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(OC(F)F)cc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000100869268 554497415 /nfs/dbraw/zinc/49/74/15/554497415.db2.gz GPKUYHLSULCBRB-AREMUKBSSA-N 1 1 537.632 6.723 50 0 KKAAMO Cc1ccccc1-c1noc(CN(C[C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4C)no3)C2)c2ccccn2)n1 ZINC000062632920 554507683 /nfs/dbraw/zinc/50/76/83/554507683.db2.gz UORYUDJTWDUUMC-HSZRJFAPSA-N 1 1 521.625 5.327 50 0 KKAAMO Cc1ccccc1-c1noc(CN(C[C@@H]2CC[N@H+](Cc3nc(-c4ccccc4C)no3)C2)c2ccccn2)n1 ZINC000062632920 554507681 /nfs/dbraw/zinc/50/76/81/554507681.db2.gz UORYUDJTWDUUMC-HSZRJFAPSA-N 1 1 521.625 5.327 50 0 KKAAMO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@@H+](Cc4ccc(C(F)(F)F)cc4)CC3)n2)cc1 ZINC000100901502 554514698 /nfs/dbraw/zinc/51/46/98/554514698.db2.gz PCMHPBPQXXZIHL-UHFFFAOYSA-N 1 1 556.636 6.446 50 0 KKAAMO COc1ccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccc(Cl)cc4)[C@H](c4ccc(Cl)cc4)N23)cc1 ZINC000100975232 554546852 /nfs/dbraw/zinc/54/68/52/554546852.db2.gz PGAMAJHGBBLEKD-NKVKBKOUSA-N 1 1 546.523 7.743 50 0 KKAAMO O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000101027772 554564316 /nfs/dbraw/zinc/56/43/16/554564316.db2.gz ZKCIBXFOCVFSTJ-TVNXZVQQSA-N 1 1 531.011 6.322 50 0 KKAAMO O=C(c1ccccc1)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000101027772 554564319 /nfs/dbraw/zinc/56/43/19/554564319.db2.gz 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Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1C ZINC000101149040 554656744 /nfs/dbraw/zinc/65/67/44/554656744.db2.gz MGTGKZIWABVXDJ-QUMGSSFMSA-N 1 1 531.534 5.476 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000101169001 554661221 /nfs/dbraw/zinc/66/12/21/554661221.db2.gz MEQREPYTSVSAKS-KIHHCIJBSA-N 1 1 537.925 5.513 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000101169001 554661223 /nfs/dbraw/zinc/66/12/23/554661223.db2.gz MEQREPYTSVSAKS-KIHHCIJBSA-N 1 1 537.925 5.513 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000101299268 554712799 /nfs/dbraw/zinc/71/27/99/554712799.db2.gz XFAQETCWONQQOS-BSKIJULFSA-N 1 1 550.942 8.388 50 0 KKAAMO CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)CC2)cc1 ZINC000101340995 554735400 /nfs/dbraw/zinc/73/54/00/554735400.db2.gz NMSYDVRHSNRGCB-LJAQVGFWSA-N 1 1 569.768 5.055 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000101366820 554743989 /nfs/dbraw/zinc/74/39/89/554743989.db2.gz HKLDPCDOBCAEMP-RJYGDKEGSA-N 1 1 535.644 5.107 50 0 KKAAMO O=C(c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101372320 554744707 /nfs/dbraw/zinc/74/47/07/554744707.db2.gz XAOHHEJHMCMFAP-JDCMOKTRSA-N 1 1 547.630 5.750 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372646 554744949 /nfs/dbraw/zinc/74/49/49/554744949.db2.gz BVJMPEPQJWSBID-BCJTWVECSA-N 1 1 624.757 6.587 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391693 554755411 /nfs/dbraw/zinc/75/54/11/554755411.db2.gz IQGLJKGZLRIGOW-IAPPQJPRSA-N 1 1 539.001 6.015 50 0 KKAAMO Cc1cccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCC[NH+]4CCN(c5cc(Cl)ccc5C)CC4)cc3)Oc3ccccc32)c1 ZINC000101426300 554768677 /nfs/dbraw/zinc/76/86/77/554768677.db2.gz FBIGUJTZPKHSQM-QCFMCPCVSA-N 1 1 621.181 6.476 50 0 KKAAMO CC[N@@H+](CCCNC(=O)c1nn(-c2ccc(OC)c(Cl)c2)c(=O)c2c1c1ccccc1n2C)Cc1ccccc1 ZINC000101440885 554773167 /nfs/dbraw/zinc/77/31/67/554773167.db2.gz KQXUVOTYENPNKJ-UHFFFAOYSA-N 1 1 558.082 5.181 50 0 KKAAMO COC(=O)c1ccccc1NC(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000101480609 554783364 /nfs/dbraw/zinc/78/33/64/554783364.db2.gz GQENHRNNGWUZCB-UHFFFAOYSA-N 1 1 556.490 6.126 50 0 KKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1)C1CCCCC1 ZINC000101506319 554790202 /nfs/dbraw/zinc/79/02/02/554790202.db2.gz WWZYXVHFYPUPEF-BUKTXJAASA-N 1 1 595.853 8.146 50 0 KKAAMO CC[C@@H](C)[N@@H+](CCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1)C1CCCCC1 ZINC000101506565 554790406 /nfs/dbraw/zinc/79/04/06/554790406.db2.gz DFDIEPQRYGBSCM-KGKFUBNFSA-N 1 1 565.758 7.125 50 0 KKAAMO CC[N@@H+](CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1)Cc1ccccc1 ZINC000101506668 554790661 /nfs/dbraw/zinc/79/06/61/554790661.db2.gz JGKOTIRCZOYIDI-JGRMKTMXSA-N 1 1 559.710 6.604 50 0 KKAAMO CC(C)[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000101602268 554804246 /nfs/dbraw/zinc/80/42/46/554804246.db2.gz WRMFJFZIIJJBEM-XTGAJNFRSA-N 1 1 578.978 5.049 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccccc1Cl)C3=O ZINC000101622835 554810345 /nfs/dbraw/zinc/81/03/45/554810345.db2.gz MZHCOPLNARTXDR-WPHQEQLXSA-N 1 1 551.131 5.202 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000101637658 554813670 /nfs/dbraw/zinc/81/36/70/554813670.db2.gz MIEBKHVFUYCWQJ-TZGBDOIBSA-N 1 1 553.772 7.059 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000101637508 554813695 /nfs/dbraw/zinc/81/36/95/554813695.db2.gz QEPHRFFVCNSZOH-KAUHDDEISA-N 1 1 574.190 7.404 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)Cc1ccccc1 ZINC000101637586 554813702 /nfs/dbraw/zinc/81/37/02/554813702.db2.gz BCQFDDBSNHZIOV-VZUYHUTRSA-N 1 1 614.211 7.089 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2C(=C(O)c3ccc(OC)cc3)[C@@]3(C(=O)Nc4ccccc43)[C@H]3c4ccccc4C=CN32)cc1 ZINC000101671713 554825115 /nfs/dbraw/zinc/82/51/15/554825115.db2.gz UPWSJIGLLFTRFO-CXNUKBDRSA-N 1 1 556.618 5.686 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)nc2c1 ZINC000101677125 554828092 /nfs/dbraw/zinc/82/80/92/554828092.db2.gz QEHSTCSMJKANMO-SANMLTNESA-N 1 1 538.692 6.365 50 0 KKAAMO CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc2N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000101759893 554836641 /nfs/dbraw/zinc/83/66/41/554836641.db2.gz KLDNCGYMSHXBNQ-PPTMTGTBSA-N 1 1 643.832 5.980 50 0 KKAAMO 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KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2Br)[C@@H](c2ccccc2)c2cccn2-3)C1 ZINC000101916466 554850333 /nfs/dbraw/zinc/85/03/33/554850333.db2.gz ADTTUWIKIMWCHO-VWLOTQADSA-N 1 1 533.495 6.426 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)cc2OC)CC[N@H+](C)C4)c1 ZINC000101916510 554850405 /nfs/dbraw/zinc/85/04/05/554850405.db2.gz ZNCGPBBQJWGENE-NDEPHWFRSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)cc2OC)CC[N@@H+](C)C4)c1 ZINC000101916510 554850407 /nfs/dbraw/zinc/85/04/07/554850407.db2.gz ZNCGPBBQJWGENE-NDEPHWFRSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2C)CC[N@H+](C)C4)c1 ZINC000101916536 554850457 /nfs/dbraw/zinc/85/04/57/554850457.db2.gz NJIHIROEKPVNDM-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2C)CC[N@@H+](C)C4)c1 ZINC000101916536 554850460 /nfs/dbraw/zinc/85/04/60/554850460.db2.gz NJIHIROEKPVNDM-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc(NC(=O)CC[C@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@H]2N2CCN(c3ccccc3F)CC2)cc1 ZINC000102079416 554875747 /nfs/dbraw/zinc/87/57/47/554875747.db2.gz DIQQJXVCHIVYIY-SETSBSEESA-N 1 1 565.133 5.919 50 0 KKAAMO COc1ccc(NC(=O)CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@H]2N2CCN(c3ccccc3F)CC2)cc1 ZINC000102079416 554875749 /nfs/dbraw/zinc/87/57/49/554875749.db2.gz DIQQJXVCHIVYIY-SETSBSEESA-N 1 1 565.133 5.919 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(Cl)cc4Cl)c(OC)c2)N3)C1 ZINC000102100523 554881515 /nfs/dbraw/zinc/88/15/15/554881515.db2.gz XUUITGJTCCCAAA-JOCHJYFZSA-N 1 1 532.449 6.090 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1 ZINC000102102970 554882021 /nfs/dbraw/zinc/88/20/21/554882021.db2.gz BEUCYLDGULLRKH-HKBQPEDESA-N 1 1 569.790 6.435 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000102102988 554882079 /nfs/dbraw/zinc/88/20/79/554882079.db2.gz 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/nfs/dbraw/zinc/91/97/42/554919742.db2.gz MEGYEIZZXGOGJI-UHFFFAOYSA-N 1 1 524.518 5.448 50 0 KKAAMO COc1cc(CNC(=O)CC[C@H]2C[N@@H+](CC(c3ccccc3)c3ccccc3)CC[C@H]2[NH+](C)C)cc(OC)c1OC ZINC000102418161 554925082 /nfs/dbraw/zinc/92/50/82/554925082.db2.gz JCSRBVUJZRZHGZ-MFMCTBQISA-N 1 1 559.751 5.193 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(Br)cc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000102454337 554933933 /nfs/dbraw/zinc/93/39/33/554933933.db2.gz XCPRQOIAEBAVPK-TYZGFQJPSA-N 1 1 586.555 7.208 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2C)CC[N@H+](C)C4)cc1 ZINC000102499527 554941890 /nfs/dbraw/zinc/94/18/90/554941890.db2.gz VWQLIDWWRMALJE-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2C)CC[N@@H+](C)C4)cc1 ZINC000102499527 554941891 /nfs/dbraw/zinc/94/18/91/554941891.db2.gz VWQLIDWWRMALJE-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2C)CC[N@H+](C)C4)cc1 ZINC000102499484 554941906 /nfs/dbraw/zinc/94/19/06/554941906.db2.gz NXDUDKHUPCDETJ-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2C)CC[N@@H+](C)C4)cc1 ZINC000102499484 554941907 /nfs/dbraw/zinc/94/19/07/554941907.db2.gz NXDUDKHUPCDETJ-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)cc1OC ZINC000102499934 554942502 /nfs/dbraw/zinc/94/25/02/554942502.db2.gz SKXOSTVABMORAA-HHHXNRCGSA-N 1 1 532.641 5.820 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@H+](C)CC4)cc1OC ZINC000102499934 554942505 /nfs/dbraw/zinc/94/25/05/554942505.db2.gz SKXOSTVABMORAA-HHHXNRCGSA-N 1 1 532.641 5.820 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)c1 ZINC000102499960 554942571 /nfs/dbraw/zinc/94/25/71/554942571.db2.gz WSGYZIHBTTZUTG-HHHXNRCGSA-N 1 1 532.641 5.820 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@H+](C)CC4)c1 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GPFKCXIRATZJRU-MHZLTWQESA-N 1 1 542.532 5.686 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102842403 555082873 /nfs/dbraw/zinc/08/28/73/555082873.db2.gz GPFKCXIRATZJRU-MHZLTWQESA-N 1 1 542.532 5.686 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000102888320 555121417 /nfs/dbraw/zinc/12/14/17/555121417.db2.gz DRIHSNFSDAAMGQ-PUHABZHSSA-N 1 1 553.540 6.013 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000102888320 555121419 /nfs/dbraw/zinc/12/14/19/555121419.db2.gz DRIHSNFSDAAMGQ-PUHABZHSSA-N 1 1 553.540 6.013 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000102888321 555121439 /nfs/dbraw/zinc/12/14/39/555121439.db2.gz DRIHSNFSDAAMGQ-VIJSPRBVSA-N 1 1 553.540 6.013 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000102888321 555121441 /nfs/dbraw/zinc/12/14/41/555121441.db2.gz DRIHSNFSDAAMGQ-VIJSPRBVSA-N 1 1 553.540 6.013 50 0 KKAAMO C[N@H+](Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 ZINC000102909621 555142515 /nfs/dbraw/zinc/14/25/15/555142515.db2.gz ZUPYTLZMYSMXSB-SSEXGKCCSA-N 1 1 538.091 6.791 50 0 KKAAMO COc1cc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)cc(OC)c1OC ZINC000102957053 555174192 /nfs/dbraw/zinc/17/41/92/555174192.db2.gz BBEJVXKVNDGVAN-UHFFFAOYSA-N 1 1 573.693 6.475 50 0 KKAAMO COc1ccc(C(=O)N(CC(=O)Nc2nc(CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)cs2)CC(C)C)cc1 ZINC000103031146 555218995 /nfs/dbraw/zinc/21/89/95/555218995.db2.gz XGRHMPQVBZGRGR-UHFFFAOYSA-N 1 1 639.822 5.365 50 0 KKAAMO COc1ccc(C[N@H+](CCN2CCOCC2)Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)cc1OC ZINC000103032296 555219900 /nfs/dbraw/zinc/21/99/00/555219900.db2.gz 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555245678 /nfs/dbraw/zinc/24/56/78/555245678.db2.gz FAZTZRDCVFHKTH-WJOKGBTCSA-N 1 1 569.790 6.579 50 0 KKAAMO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)c1ccccc1 ZINC000103065097 555245709 /nfs/dbraw/zinc/24/57/09/555245709.db2.gz XEVZHMKLALFZCM-XIFFEERXSA-N 1 1 555.763 6.109 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)c1ccccc1 ZINC000103065097 555245710 /nfs/dbraw/zinc/24/57/10/555245710.db2.gz XEVZHMKLALFZCM-XIFFEERXSA-N 1 1 555.763 6.109 50 0 KKAAMO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000103072334 555252322 /nfs/dbraw/zinc/25/23/22/555252322.db2.gz VFLCSHLMBZPLFE-UHFFFAOYSA-N 1 1 591.410 8.655 50 0 KKAAMO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(F)cc1 ZINC000103072340 555252375 /nfs/dbraw/zinc/25/23/75/555252375.db2.gz ZZQRGYQRVKYXIV-UHFFFAOYSA-N 1 1 540.510 7.487 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4cccs4)n3-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000103141319 555310982 /nfs/dbraw/zinc/31/09/82/555310982.db2.gz SBEDTLJFNGZWII-UHFFFAOYSA-N 1 1 557.667 6.085 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@H+](CCOC)C[C@H](O)COCc1ccccc1 ZINC000103148662 555315364 /nfs/dbraw/zinc/31/53/64/555315364.db2.gz ZBEZDTMWWMXJOG-MHZLTWQESA-N 1 1 545.680 5.262 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](CCOC)C[C@H](O)COCc1ccccc1 ZINC000103148662 555315367 /nfs/dbraw/zinc/31/53/67/555315367.db2.gz ZBEZDTMWWMXJOG-MHZLTWQESA-N 1 1 545.680 5.262 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103167446 555323466 /nfs/dbraw/zinc/32/34/66/555323466.db2.gz KMBSGQASVNVNGI-FWUCURJTSA-N 1 1 547.740 5.941 50 0 KKAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)N2[C@H]1c1ccc(C)cc1C ZINC000103168259 555324020 /nfs/dbraw/zinc/32/40/20/555324020.db2.gz QTGNTXSOEXZPBZ-LJAQVGFWSA-N 1 1 544.721 5.094 50 0 KKAAMO CCn1cc([C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cc(OC)cc(OC)c2)c2ccccc21 ZINC000103192700 555333864 /nfs/dbraw/zinc/33/38/64/555333864.db2.gz TVPWPSBGGGUBBX-UUWRZZSWSA-N 1 1 587.764 7.134 50 0 KKAAMO COc1ccc(-n2nc(-c3cccc(OC)c3)cc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000103194246 555334238 /nfs/dbraw/zinc/33/42/38/555334238.db2.gz UZNMSUZBZGBLNR-UHFFFAOYSA-N 1 1 558.682 6.104 50 0 KKAAMO O=C(c1cc(-c2ccc(F)cc2)nn1-c1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103195844 555334885 /nfs/dbraw/zinc/33/48/85/555334885.db2.gz VXBXVOOPVSAURT-UHFFFAOYSA-N 1 1 551.065 6.879 50 0 KKAAMO COc1cc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C(C)(C)C)cc2)CC(C)C)ccc1O ZINC000103290909 555354182 /nfs/dbraw/zinc/35/41/82/555354182.db2.gz LUKGALQPUKOPKA-UHFFFAOYSA-N 1 1 555.763 6.909 50 0 KKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000103313636 555358372 /nfs/dbraw/zinc/35/83/72/555358372.db2.gz OGYHAFLRQKSIBR-ZEQRLZLVSA-N 1 1 533.883 6.220 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccc(OC)cc4)cnn(-c4cccc(Cl)c4)c3=O)c2)CC1 ZINC000103323864 555359042 /nfs/dbraw/zinc/35/90/42/555359042.db2.gz MOAIVPYKCAREEW-UHFFFAOYSA-N 1 1 560.054 5.208 50 0 KKAAMO Cc1ccc(N(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000103338589 555361625 /nfs/dbraw/zinc/36/16/25/555361625.db2.gz TUXZMSHDNTYXMU-UHFFFAOYSA-N 1 1 547.120 7.301 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccc(C)cc4)c(C[NH+]4CCN(C(=O)[C@H]5CCC[C@H](OC)C5)CC4)n3c2)c1 ZINC000103360312 555364604 /nfs/dbraw/zinc/36/46/04/555364604.db2.gz XOWLTBUFTZDVDQ-JDXGNMNLSA-N 1 1 566.746 6.225 50 0 KKAAMO C[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4cccs4)n3-c3cccc(C(F)(F)F)c3)c2)CC1 ZINC000103380114 555371432 /nfs/dbraw/zinc/37/14/32/555371432.db2.gz HDKYMOPGDWHPSZ-UHFFFAOYSA-N 1 1 543.640 5.695 50 0 KKAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3cccc(OC)c3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000103398403 555384918 /nfs/dbraw/zinc/38/49/18/555384918.db2.gz UUNPYJTWBTYLBO-UHFFFAOYSA-N 1 1 536.598 5.792 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3n2Cc2cccc(F)c2)CC1 ZINC000103418725 555398450 /nfs/dbraw/zinc/39/84/50/555398450.db2.gz ZTCSXAOAVBFHQS-UHFFFAOYSA-N 1 1 549.046 5.277 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccccc3)c3ccccc23)c2cccc(Oc3ccccc3)c2)CC1 ZINC000103421111 555401879 /nfs/dbraw/zinc/40/18/79/555401879.db2.gz HNTQXBAUDKSWQE-XIFFEERXSA-N 1 1 543.711 7.168 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000103421909 555402843 /nfs/dbraw/zinc/40/28/43/555402843.db2.gz DGJKGALZVBGROY-UHFFFAOYSA-N 1 1 572.775 5.874 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000103518445 555423936 /nfs/dbraw/zinc/42/39/36/555423936.db2.gz PJAKLDZWFIABNU-GCDSYTDFSA-N 1 1 556.460 5.026 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCN2C(=O)c3cc4sccc4n3C[C@]2(C)C(=O)NC2CCCCCCC2)C1 ZINC000103664970 555461649 /nfs/dbraw/zinc/46/16/49/555461649.db2.gz SCWTYNCFUUQFSR-UETOGOEVSA-N 1 1 512.764 5.514 50 0 KKAAMO CC1(C)[C@H]2CC[C@]1(C)C[N@@H+](C[C@@H](O)Cn1c3ccc(Br)cc3c3cc(Br)ccc31)C2 ZINC000169306656 562853613 /nfs/dbraw/zinc/85/36/13/562853613.db2.gz UDLROHGIZGZBJH-IRYIGKPUSA-N 1 1 534.336 6.439 50 0 KKAAMO CCCc1ccc(C(O)=C2[C@@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102565426 571361410 /nfs/dbraw/zinc/36/14/10/571361410.db2.gz SKRGWIREXNZEQW-UOWMXVQPSA-N 1 1 556.637 6.760 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1cc(Br)ccc1OC)C3=O ZINC000104147856 571375416 /nfs/dbraw/zinc/37/54/16/571375416.db2.gz FDWSFXRBELXTDB-QJTKOPTISA-N 1 1 625.608 5.320 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000104796051 571386242 /nfs/dbraw/zinc/38/62/42/571386242.db2.gz IUSLYDADBBCUFE-VFVBNVAHSA-N 1 1 567.085 6.328 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4Cl)C3=O)[C@@H]2C(=O)c2ccccc2)c(OC)c1 ZINC000104796051 571386244 /nfs/dbraw/zinc/38/62/44/571386244.db2.gz IUSLYDADBBCUFE-VFVBNVAHSA-N 1 1 567.085 6.328 50 0 KKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984704 571388714 /nfs/dbraw/zinc/38/87/14/571388714.db2.gz JTVUCQXNNMSOLD-BJKOFHAPSA-N 1 1 517.428 5.705 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000105002001 571388935 /nfs/dbraw/zinc/38/89/35/571388935.db2.gz NQDQCBLOTFRIRX-RPBOFIJWSA-N 1 1 528.093 5.641 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000105002001 571388936 /nfs/dbraw/zinc/38/89/36/571388936.db2.gz NQDQCBLOTFRIRX-RPBOFIJWSA-N 1 1 528.093 5.641 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000105007293 571389108 /nfs/dbraw/zinc/38/91/08/571389108.db2.gz USSMCBOWIAXEKC-RSXGOPAZSA-N 1 1 507.675 5.345 50 0 KKAAMO Cc1ccc(C(=O)N(C[C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2c2cccc(F)c2)C(C)C)cc1 ZINC000105041297 571390186 /nfs/dbraw/zinc/39/01/86/571390186.db2.gz AVKSALOHMDYIGJ-NAKRPHOHSA-N 1 1 512.591 6.919 50 0 KKAAMO COc1cccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@H](c3ccccc3C)C2)c1 ZINC000105041701 571390224 /nfs/dbraw/zinc/39/02/24/571390224.db2.gz STXAROWYFGXHNX-QVWWMRLHSA-N 1 1 514.685 6.833 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000105042639 571390390 /nfs/dbraw/zinc/39/03/90/571390390.db2.gz XATDTIHUKUFJHF-YWEHKCAJSA-N 1 1 514.563 6.117 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000105796090 571408770 /nfs/dbraw/zinc/40/87/70/571408770.db2.gz XJLVLMXNMVHSMV-YCAMKHIRSA-N 1 1 582.376 5.622 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000105796090 571408772 /nfs/dbraw/zinc/40/87/72/571408772.db2.gz XJLVLMXNMVHSMV-YCAMKHIRSA-N 1 1 582.376 5.622 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(F)cc2)CC1 ZINC000107130298 571419829 /nfs/dbraw/zinc/41/98/29/571419829.db2.gz WKFWDUSERZBVKO-UHFFFAOYSA-N 1 1 515.658 5.452 50 0 KKAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)C1 ZINC000110519239 571431422 /nfs/dbraw/zinc/43/14/22/571431422.db2.gz CMCLTKJWFAVHRT-XWQKFYQHSA-N 1 1 554.518 6.392 50 0 KKAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C/c4ccc(Cl)cc4)CCC[C@@H]3[C@@H]2c2ccc(Cl)cc2)C1 ZINC000110519239 571431423 /nfs/dbraw/zinc/43/14/23/571431423.db2.gz CMCLTKJWFAVHRT-XWQKFYQHSA-N 1 1 554.518 6.392 50 0 KKAAMO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc1 ZINC000150388808 571471110 /nfs/dbraw/zinc/47/11/10/571471110.db2.gz ADHWYJOFKOZJTM-UHFFFAOYSA-N 1 1 679.776 10.084 50 0 KKAAMO CCOC(=O)c1ccc(NC(=O)C[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150390586 571472875 /nfs/dbraw/zinc/47/28/75/571472875.db2.gz NDWMCSQZLFYRPI-SSEXGKCCSA-N 1 1 648.229 5.056 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000150403639 571478897 /nfs/dbraw/zinc/47/88/97/571478897.db2.gz KDMHAHQYIOVIKG-UHFFFAOYSA-N 1 1 633.164 6.872 50 0 KKAAMO CCOC(=O)c1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000150414254 571484912 /nfs/dbraw/zinc/48/49/12/571484912.db2.gz WAOFNTRPZKUUCW-PMERELPUSA-N 1 1 648.229 5.056 50 0 KKAAMO O[C@@H](COc1ccc2ccccc2c1Br)CN1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2Br)CC1 ZINC000150431884 571493867 /nfs/dbraw/zinc/49/38/67/571493867.db2.gz DLSUCJPJRBNERY-PSWAGMNNSA-N 1 1 644.404 5.315 50 0 KKAAMO O[C@@H](COc1ccc2ccccc2c1Br)C[NH+]1CCN(C[C@H](O)COc2ccc3ccccc3c2Br)CC1 ZINC000150431884 571493869 /nfs/dbraw/zinc/49/38/69/571493869.db2.gz DLSUCJPJRBNERY-PSWAGMNNSA-N 1 1 644.404 5.315 50 0 KKAAMO O=C(C[C@@H](c1cn(Cc2ccc(F)cc2)c2ccccc12)c1cccc(Oc2ccccc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150438213 571496858 /nfs/dbraw/zinc/49/68/58/571496858.db2.gz QJIAIEWATRSJPB-VZUYHUTRSA-N 1 1 699.870 10.077 50 0 KKAAMO CCOc1ccc([C@@H]2C(=O)C([C@@H](c3ccc(OC)c(C[NH+]4CCCCC4)c3)C3C(=O)NC(=S)[C@@H](c4ccc(OCC)cc4)C3=O)C(=O)NC2=S)cc1 ZINC000150438658 571496992 /nfs/dbraw/zinc/49/69/92/571496992.db2.gz ZGNZALCUWSMZMO-KKRBMQDQSA-N 1 1 741.932 7.491 50 0 KKAAMO Cc1ccc(-c2csc3nc(CN(Cc4ccccc4C[NH+]4CCOCC4)Cc4nc5scc(-c6ccc(C)s6)c5c(=O)[nH]4)[nH]c(=O)c23)s1 ZINC000150445197 571500154 /nfs/dbraw/zinc/50/01/54/571500154.db2.gz BUZNNJDFCYSRAL-UHFFFAOYSA-N 1 1 726.975 7.391 50 0 KKAAMO COc1cc2c(c(OC)c1OC)-c1ccc(NCCCCCC(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000150653195 571525869 /nfs/dbraw/zinc/52/58/69/571525869.db2.gz CSRHQMYIQOJLST-HKBQPEDESA-N 1 1 656.824 5.180 50 0 biogenic KKAAMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@]12c1[nH]c3ccccc3c1CCN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000169621039 571554438 /nfs/dbraw/zinc/55/44/38/571554438.db2.gz WFVVMUOCJWVLFU-UOSBZTQKSA-N 1 1 597.759 6.665 50 0 KKAAMO C[C@H](NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000169677734 571555365 /nfs/dbraw/zinc/55/53/65/571555365.db2.gz LJGZUDQKQVFSON-PTJQVGQKSA-N 1 1 507.600 5.488 50 0 KKAAMO O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12 ZINC000169681924 571557737 /nfs/dbraw/zinc/55/77/37/571557737.db2.gz CAUVRAMUISFTTM-BVAGGSTKSA-N 1 1 531.981 5.677 50 0 KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)ccc3[S@@](=O)c3ccccc3C2=O)c1 ZINC000169778797 571560433 /nfs/dbraw/zinc/56/04/33/571560433.db2.gz QRYDFPQVLUNFAK-IJENORETSA-N 1 1 529.706 5.235 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000225075116 571644523 /nfs/dbraw/zinc/64/45/23/571644523.db2.gz VZINKNLPTWCSJS-YZNIXAGQSA-N 1 1 519.104 7.478 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)N2CCCCC2)CC1 ZINC000299800637 572138080 /nfs/dbraw/zinc/13/80/80/572138080.db2.gz HYLPBUJSXCPJON-XTEPFMGCSA-N 1 1 539.164 5.154 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000230082843 572182647 /nfs/dbraw/zinc/18/26/47/572182647.db2.gz HKMJGNJJAWSOOT-XTGFQOFXSA-N 1 1 541.047 6.302 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000230082843 572182653 /nfs/dbraw/zinc/18/26/53/572182653.db2.gz HKMJGNJJAWSOOT-XTGFQOFXSA-N 1 1 541.047 6.302 50 0 KKAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@H](CC(=O)[C@H]5C[C@H](OC(=O)c6ccco6)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000239174501 572191923 /nfs/dbraw/zinc/19/19/23/572191923.db2.gz QDRWJGGEHHAYQU-ZPDMJJASSA-N 1 1 523.714 5.344 50 0 KKAAMO CC(C)Cc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000245245208 572217129 /nfs/dbraw/zinc/21/71/29/572217129.db2.gz BYKGXLRGQFNAQI-NLCLVCPQSA-N 1 1 558.703 6.928 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000245279956 572224556 /nfs/dbraw/zinc/22/45/56/572224556.db2.gz LAUGOIOKYRAZNE-XNMGPUDCSA-N 1 1 507.675 5.202 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000245280766 572224567 /nfs/dbraw/zinc/22/45/67/572224567.db2.gz SMDDWHJQJCJJKN-LOSJGSFVSA-N 1 1 529.628 5.410 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H]1CCCO1 ZINC000245280766 572224570 /nfs/dbraw/zinc/22/45/70/572224570.db2.gz SMDDWHJQJCJJKN-LOSJGSFVSA-N 1 1 529.628 5.410 50 0 KKAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]21 ZINC000245312637 572230263 /nfs/dbraw/zinc/23/02/63/572230263.db2.gz WRMFJFZIIJJBEM-HGPRPZRGSA-N 1 1 578.978 5.049 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000245325679 572232002 /nfs/dbraw/zinc/23/20/02/572232002.db2.gz BZAJHVYCKFSBJP-VPUSJEBWSA-N 1 1 538.610 6.448 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245327051 572233591 /nfs/dbraw/zinc/23/35/91/572233591.db2.gz IEIMPELPBTVISD-JWQCQUIFSA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H]1CCCO1 ZINC000245327051 572233594 /nfs/dbraw/zinc/23/35/94/572233594.db2.gz IEIMPELPBTVISD-JWQCQUIFSA-N 1 1 525.665 5.525 50 0 KKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)C2)o1 ZINC000245329986 572236126 /nfs/dbraw/zinc/23/61/26/572236126.db2.gz WHJKGIFSNRYXGY-NAKRPHOHSA-N 1 1 512.616 6.929 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245343695 572239817 /nfs/dbraw/zinc/23/98/17/572239817.db2.gz WRQAGDADNSFIDQ-SLGOVJDISA-N 1 1 563.739 5.777 50 0 KKAAMO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247473603 572242356 /nfs/dbraw/zinc/24/23/56/572242356.db2.gz GJGLIWOKJLUHIJ-HXUWFJFHSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247473983 572242487 /nfs/dbraw/zinc/24/24/87/572242487.db2.gz GODKINMGFBDESP-UHFFFAOYSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247504662 572242934 /nfs/dbraw/zinc/24/29/34/572242934.db2.gz RDXQSARHZNOSNV-QGZVFWFLSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247513861 572242978 /nfs/dbraw/zinc/24/29/78/572242978.db2.gz UWDNTDRSSSSAHO-OAQYLSRUSA-N 1 1 551.916 6.012 50 0 KKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247724597 572243685 /nfs/dbraw/zinc/24/36/85/572243685.db2.gz CNYIEFYXXHVPDZ-UHFFFAOYSA-N 1 1 595.541 7.218 50 0 KKAAMO O=C(Nc1ccccc1F)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247736125 572244027 /nfs/dbraw/zinc/24/40/27/572244027.db2.gz LCNDCELWCXPPEX-GOSISDBHSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1ccccc1F)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247736125 572244031 /nfs/dbraw/zinc/24/40/31/572244031.db2.gz LCNDCELWCXPPEX-GOSISDBHSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247739846 572244070 /nfs/dbraw/zinc/24/40/70/572244070.db2.gz NFRRAOIOKKXVDM-GOSISDBHSA-N 1 1 568.313 6.401 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247743898 572244365 /nfs/dbraw/zinc/24/43/65/572244365.db2.gz PGVMPDSGAYWRRB-GOSISDBHSA-N 1 1 568.313 6.401 50 0 KKAAMO O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247794137 572245019 /nfs/dbraw/zinc/24/50/19/572245019.db2.gz BPOVVMXACUNIOC-QHCPKHFHSA-N 1 1 604.524 5.124 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247808012 572245377 /nfs/dbraw/zinc/24/53/77/572245377.db2.gz CKUYAYBACIZZMA-XMMPIXPASA-N 1 1 562.545 5.952 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247843255 572246036 /nfs/dbraw/zinc/24/60/36/572246036.db2.gz GEGYXXFPPKOILD-JOCHJYFZSA-N 1 1 592.969 6.002 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000247839430 572246083 /nfs/dbraw/zinc/24/60/83/572246083.db2.gz DZOJIUBDBADWPU-XMMPIXPASA-N 1 1 546.090 5.438 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247866858 572246856 /nfs/dbraw/zinc/24/68/56/572246856.db2.gz OYLRIMMTMJXKSV-JOCHJYFZSA-N 1 1 626.521 6.368 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccccc5Cl)CC4)CC3)nc3ccccc32)cc1 ZINC000247868146 572247112 /nfs/dbraw/zinc/24/71/12/572247112.db2.gz BTFJUXFMQYFFBB-UHFFFAOYSA-N 1 1 558.126 5.307 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247872388 572247393 /nfs/dbraw/zinc/24/73/93/572247393.db2.gz RHMIWIQLCANRDW-UHFFFAOYSA-N 1 1 610.959 6.141 50 0 KKAAMO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247875870 572247497 /nfs/dbraw/zinc/24/74/97/572247497.db2.gz NWHZGQIHQJPDQE-NRFANRHFSA-N 1 1 655.424 6.291 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247881133 572247842 /nfs/dbraw/zinc/24/78/42/572247842.db2.gz VOISHMBYMGGCSQ-NRFANRHFSA-N 1 1 627.414 6.656 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247881349 572247924 /nfs/dbraw/zinc/24/79/24/572247924.db2.gz VSTNZVKJBSORHU-JOCHJYFZSA-N 1 1 592.969 6.002 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)CC3)CC2)c(C)c1 ZINC000247889690 572248262 /nfs/dbraw/zinc/24/82/62/572248262.db2.gz UVHJYAFYXYAUQC-UHFFFAOYSA-N 1 1 586.578 5.966 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(C(=O)c5cccc(Cl)c5Cl)CC4)CC3)nc3ccccc32)cc1 ZINC000247885595 572248273 /nfs/dbraw/zinc/24/82/73/572248273.db2.gz KVOSFLMJAKQMPU-UHFFFAOYSA-N 1 1 620.581 5.597 50 0 KKAAMO Cc1cccc(C)c1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000247889950 572248298 /nfs/dbraw/zinc/24/82/98/572248298.db2.gz VBNGPQHHAIOXRT-UHFFFAOYSA-N 1 1 586.578 5.966 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886022 572248349 /nfs/dbraw/zinc/24/83/49/572248349.db2.gz XASKZFJFCPBLEN-JOCHJYFZSA-N 1 1 532.063 5.379 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(C)c1 ZINC000247889727 572248413 /nfs/dbraw/zinc/24/84/13/572248413.db2.gz UWNPSUUQEKKVKV-BKKFENPESA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(C)c1 ZINC000247889727 572248415 /nfs/dbraw/zinc/24/84/15/572248415.db2.gz UWNPSUUQEKKVKV-BKKFENPESA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1cccc(C)c1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247898169 572248625 /nfs/dbraw/zinc/24/86/25/572248625.db2.gz YIALVJVGPHOWRR-UHFFFAOYSA-N 1 1 517.471 6.256 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c(C)c1 ZINC000247895521 572248814 /nfs/dbraw/zinc/24/88/14/572248814.db2.gz XGSWPXZTRYBFCW-RUZDIDTESA-N 1 1 525.672 5.342 50 0 KKAAMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247948240 572250273 /nfs/dbraw/zinc/25/02/73/572250273.db2.gz XGINBDOLEJQQDD-JOCHJYFZSA-N 1 1 517.471 5.625 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000247985942 572251412 /nfs/dbraw/zinc/25/14/12/572251412.db2.gz IRCQMOYXMPRYON-UHFFFAOYSA-N 1 1 514.501 5.485 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248009362 572252300 /nfs/dbraw/zinc/25/23/00/572252300.db2.gz IQGLJKGZLRIGOW-XTEPFMGCSA-N 1 1 539.001 6.015 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000248007132 572252375 /nfs/dbraw/zinc/25/23/75/572252375.db2.gz PUCQXIMKHXFUNT-OAQYLSRUSA-N 1 1 513.608 5.197 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)C1 ZINC000248033266 572252790 /nfs/dbraw/zinc/25/27/90/572252790.db2.gz YHAJZGRGDPSNIC-FQEVSTJZSA-N 1 1 514.501 5.485 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000248036318 572252871 /nfs/dbraw/zinc/25/28/71/572252871.db2.gz ZETVGVXGCZZVGU-UHFFFAOYSA-N 1 1 542.511 5.121 50 0 KKAAMO Cc1cccc(CCNC(=O)C2CC[NH+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2)c1 ZINC000248063315 572252994 /nfs/dbraw/zinc/25/29/94/572252994.db2.gz DMFSHQMXZJDJCJ-UHFFFAOYSA-N 1 1 501.074 5.617 50 0 KKAAMO Cc1cccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000248109823 572253827 /nfs/dbraw/zinc/25/38/27/572253827.db2.gz QKNKDAPOYZFZPI-QHCPKHFHSA-N 1 1 531.498 5.667 50 0 KKAAMO Cc1cccc(CCNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000248122138 572254254 /nfs/dbraw/zinc/25/42/54/572254254.db2.gz VMDRETHVBJPCLJ-QHCPKHFHSA-N 1 1 531.498 5.667 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000248125588 572254377 /nfs/dbraw/zinc/25/43/77/572254377.db2.gz FRZWOYNQQJUYHJ-LJQANCHMSA-N 1 1 519.443 5.647 50 0 KKAAMO COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000248142878 572255252 /nfs/dbraw/zinc/25/52/52/572255252.db2.gz QTOLMJJMCLDIKN-HXLKRRFRSA-N 1 1 586.644 5.694 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1C ZINC000248153959 572255793 /nfs/dbraw/zinc/25/57/93/572255793.db2.gz KXGNXBCVZSIKDM-RUZDIDTESA-N 1 1 586.578 5.966 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248249245 572257133 /nfs/dbraw/zinc/25/71/33/572257133.db2.gz ROTDXEFQIGLLJT-GJZUVCINSA-N 1 1 501.568 6.187 50 0 KKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248260580 572257389 /nfs/dbraw/zinc/25/73/89/572257389.db2.gz 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C[N@@H+](Cc1cccc(OC2CCN(C(=O)c3cccc4ccccc43)CC2)c1)Cc1cccc2ncccc12 ZINC000014989827 1071246083 /nfs/dbraw/zinc/24/60/83/1071246083.db2.gz NNQZZLPWXJJBOX-UHFFFAOYSA-N 1 1 515.657 6.704 50 0 KKAAMO COc1cc(N2C(=O)c3cccc(N4CC[NH+](Cc5ccc(-c6ccccc6Cl)o5)CC4)c3C2=O)cc(OC)c1OC ZINC000105818083 1071291258 /nfs/dbraw/zinc/29/12/58/1071291258.db2.gz RLZJVXPYEJWTGR-UHFFFAOYSA-N 1 1 588.060 5.749 50 0 KKAAMO O=C(NCCCN1CCOCC1)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000200576394 1071290419 /nfs/dbraw/zinc/29/04/19/1071290419.db2.gz FGCPFWYNKOGINB-LBNVMWSVSA-N 1 1 569.668 5.214 50 0 KKAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccccc2)C1 ZINC000014531866 1072890798 /nfs/dbraw/zinc/89/07/98/1072890798.db2.gz RHOWXMQESJTHFJ-LADGPHEKSA-N 1 1 512.572 5.548 50 0 KKAAMO C[N@@H+](Cc1cccs1)Cc1cccc(OC2CCN(C(=O)c3ccc4[nH]c5c(c4c3)CCCC5)CC2)c1 ZINC000014995040 1072895102 /nfs/dbraw/zinc/89/51/02/1072895102.db2.gz JDRKHBQGJZGPDE-UHFFFAOYSA-N 1 1 513.707 6.424 50 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1 1 505.347 5.401 50 0 KKAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2 ZINC000002923125 552221928 /nfs/dbraw/zinc/22/19/28/552221928.db2.gz LAOXGADGTDKGLA-UHFFFAOYSA-N 1 1 554.115 6.440 50 0 KKAAMO Cc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3C)CC2)cc1Cl ZINC000002975061 552246722 /nfs/dbraw/zinc/24/67/22/552246722.db2.gz PUCDBTUWVVGYDF-UHFFFAOYSA-N 1 1 508.069 6.993 50 0 KKAAMO CC(C)[N@@H+](CCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Sc2ccccc21)Cc1ccccc1 ZINC000003054710 552279775 /nfs/dbraw/zinc/27/97/75/552279775.db2.gz USCADVWCQVETDG-OVVQPSECSA-N 1 1 564.549 5.956 50 0 KKAAMO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[N@@H+](C)Cc3ccccc3)C2=O)cc1Br ZINC000003057822 552281211 /nfs/dbraw/zinc/28/12/11/552281211.db2.gz SLGFCFLSIPBTGS-YZSQISJMSA-N 1 1 566.521 5.186 50 0 KKAAMO CCOC(=O)c1c2c(sc1Nc1nc3ccccc3nc1N1CC[NH+](Cc3ccc4c(c3)OCO4)CC1)CCCC2 ZINC000003193272 552302627 /nfs/dbraw/zinc/30/26/27/552302627.db2.gz WWZULYLSXFPVHW-UHFFFAOYSA-N 1 1 571.703 5.541 50 0 KKAAMO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661424 552407366 /nfs/dbraw/zinc/40/73/66/552407366.db2.gz YMRYBUIAFGPVQP-LQJZCPKCSA-N 1 1 563.673 5.660 50 0 KKAAMO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc1 ZINC000006166826 552557268 /nfs/dbraw/zinc/55/72/68/552557268.db2.gz KTHMQYYOALDUJS-UHFFFAOYSA-N 1 1 602.005 7.717 50 0 KKAAMO O=C(CC[NH+]1CCOCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1 ZINC000006446816 552589742 /nfs/dbraw/zinc/58/97/42/552589742.db2.gz LEIXKERODLKBKL-HHHXNRCGSA-N 1 1 585.502 5.358 50 0 KKAAMO O=C(CN(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008452414 553063770 /nfs/dbraw/zinc/06/37/70/553063770.db2.gz QKKZMQPERIZMRM-UHFFFAOYSA-N 1 1 618.597 5.574 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1cc(Nc2ccc(OC)c(OC)c2)nc2ccccc21)Cc1ccccc1 ZINC000008595272 553088784 /nfs/dbraw/zinc/08/87/84/553088784.db2.gz QTHJGDIGLYMJTF-UHFFFAOYSA-N 1 1 526.681 6.418 50 0 KKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008597608 553093547 /nfs/dbraw/zinc/09/35/47/553093547.db2.gz IVVLOZPZBSDULJ-NRFANRHFSA-N 1 1 566.123 5.185 50 0 KKAAMO Cc1ccc(-n2ncc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597641 553093593 /nfs/dbraw/zinc/09/35/93/553093593.db2.gz HXNKBNRDPBQEFG-UHFFFAOYSA-N 1 1 543.712 5.083 50 0 KKAAMO Cc1ccc(-n2ncc(C(=O)NCC[N@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000008597641 553093597 /nfs/dbraw/zinc/09/35/97/553093597.db2.gz HXNKBNRDPBQEFG-UHFFFAOYSA-N 1 1 543.712 5.083 50 0 KKAAMO Cc1oc(-c2ccc(C(=O)NCCC[N@@H+](Cc3ccccc3)C(C)C)cc2)nc1COc1ccc(C)cc1 ZINC000008911645 553183986 /nfs/dbraw/zinc/18/39/86/553183986.db2.gz UTSGALYGNXHPPS-UHFFFAOYSA-N 1 1 511.666 6.568 50 0 KKAAMO CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[NH2+]Cc3ccco3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000008918719 553188458 /nfs/dbraw/zinc/18/84/58/553188458.db2.gz KMJNCRSKHQHTGE-MRXNPFEDSA-N 1 1 500.064 6.126 50 0 KKAAMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000008918639 553188484 /nfs/dbraw/zinc/18/84/84/553188484.db2.gz FQXCPZMUDHXOQY-WIYYLYMNSA-N 1 1 516.151 7.008 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000008918639 553188487 /nfs/dbraw/zinc/18/84/87/553188487.db2.gz FQXCPZMUDHXOQY-WIYYLYMNSA-N 1 1 516.151 7.008 50 0 KKAAMO O=C(c1ccccc1)[C@H]1C[N@@H+](C2CCCCC2)C(c2ccccc2)=C(CN2CCOCC2)[C@H]1c1ccccc1 ZINC000009272029 553231553 /nfs/dbraw/zinc/23/15/53/553231553.db2.gz DBGVNYDZFAVFHZ-JHOUSYSJSA-N 1 1 520.717 6.661 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000009272687 553231958 /nfs/dbraw/zinc/23/19/58/553231958.db2.gz ISDGJVTYLLHYHE-OAQYLSRUSA-N 1 1 518.422 5.125 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000009272687 553231961 /nfs/dbraw/zinc/23/19/61/553231961.db2.gz ISDGJVTYLLHYHE-OAQYLSRUSA-N 1 1 518.422 5.125 50 0 KKAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000009347737 553244347 /nfs/dbraw/zinc/24/43/47/553244347.db2.gz MKOVLHWHLGIGET-TVHSXNCYSA-N 1 1 504.627 5.172 50 0 KKAAMO COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000009347737 553244348 /nfs/dbraw/zinc/24/43/48/553244348.db2.gz MKOVLHWHLGIGET-TVHSXNCYSA-N 1 1 504.627 5.172 50 0 KKAAMO COCCN1C(=O)c2ccccc2[C@H](C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009432876 553262920 /nfs/dbraw/zinc/26/29/20/553262920.db2.gz RJZOUPMTYJYFRL-NSOVKSMOSA-N 1 1 535.710 5.219 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@H+]2CCc3ccccc3C2)[C@@H]1c1cccs1 ZINC000009433224 553263040 /nfs/dbraw/zinc/26/30/40/553263040.db2.gz YDXBHKORPNXBLF-IZLXSDGUSA-N 1 1 501.696 5.249 50 0 KKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433597 553263304 /nfs/dbraw/zinc/26/33/04/553263304.db2.gz WDOSKLSDJSTYEX-URLMMPGGSA-N 1 1 513.707 5.536 50 0 KKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000009433596 553263321 /nfs/dbraw/zinc/26/33/21/553263321.db2.gz WDOSKLSDJSTYEX-FQLXRVMXSA-N 1 1 513.707 5.536 50 0 KKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCC(Cc3ccccc3)CC2)cc1 ZINC000009531703 553277771 /nfs/dbraw/zinc/27/77/71/553277771.db2.gz JBDWVUYDBATWPO-UHFFFAOYSA-N 1 1 523.478 7.309 50 0 KKAAMO Cc1cc2c(cc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)n2Cc2ccc(Cl)cc2)o1 ZINC000009971975 553322926 /nfs/dbraw/zinc/32/29/26/553322926.db2.gz MRSOLBVZBUIUIG-UHFFFAOYSA-N 1 1 509.025 5.326 50 0 KKAAMO Cc1noc(C)c1CC(=O)N1CCCC[C@@H]1CCOc1cccc(C[N@H+](C)Cc2cccc3cccnc32)c1 ZINC000011788596 553343081 /nfs/dbraw/zinc/34/30/81/553343081.db2.gz HOTBZHYHGFCUBJ-MUUNZHRXSA-N 1 1 526.681 5.864 50 0 KKAAMO COc1ccc(S[C@H]2C[C@@H](C(=O)Nc3ccc4sc(C)nc4c3)[N@H+](Cc3ccc(C)s3)C2)cc1 ZINC000011840369 553343498 /nfs/dbraw/zinc/34/34/98/553343498.db2.gz ZITSQFFBQCIGPX-UPVQGACJSA-N 1 1 509.722 6.357 50 0 KKAAMO COc1ccc(S[C@H]2C[C@@H](C(=O)Nc3ccc4sc(C)nc4c3)[N@@H+](Cc3ccc(C)s3)C2)cc1 ZINC000011840369 553343499 /nfs/dbraw/zinc/34/34/99/553343499.db2.gz ZITSQFFBQCIGPX-UPVQGACJSA-N 1 1 509.722 6.357 50 0 KKAAMO Cc1nn(C)c(C)c1[C@@H](C)[N@@H+](C)Cc1cc2cc3c(cc2n(Cc2cc4c(cc2Cl)OCO4)c1=O)CCC3 ZINC000011910464 553348746 /nfs/dbraw/zinc/34/87/46/553348746.db2.gz ZFIBLSAZSVUPLQ-GOSISDBHSA-N 1 1 533.072 5.464 50 0 KKAAMO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1CC1CCCCC1 ZINC000012242044 553354579 /nfs/dbraw/zinc/35/45/79/553354579.db2.gz WIAIRIGGLHJGQH-BVAGGSTKSA-N 1 1 518.752 6.552 50 0 KKAAMO O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000012561469 553394784 /nfs/dbraw/zinc/39/47/84/553394784.db2.gz UQMVDZLGERVFSQ-QHCPKHFHSA-N 1 1 505.873 5.936 50 0 KKAAMO COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000012562969 553395302 /nfs/dbraw/zinc/39/53/02/553395302.db2.gz GHDNCAXTMXZSAG-UHFFFAOYSA-N 1 1 528.656 6.095 50 0 KKAAMO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 ZINC000012562977 553395344 /nfs/dbraw/zinc/39/53/44/553395344.db2.gz YIZLDRFSGBQHHC-UHFFFAOYSA-N 1 1 518.466 5.189 50 0 KKAAMO O=C1C2[C@H](c3ccc(F)cc3)N[C@H](c3ccc(F)cc3)C1[C@@H](c1ccc(F)cc1)[NH2+][C@H]2c1ccc(F)cc1 ZINC000013476911 553459904 /nfs/dbraw/zinc/45/99/04/553459904.db2.gz CDHIFGHNXCWGNY-FTHDWXFLSA-N 1 1 516.538 6.516 50 0 KKAAMO CC(C)Cc1nc2sc3c(nc(N4CC[NH+](C)CC4)n(-c4cccc(Cl)c4)c3=O)c2c2c1CCC2 ZINC000013540428 553469475 /nfs/dbraw/zinc/46/94/75/553469475.db2.gz TWBPROWYVSRBKB-UHFFFAOYSA-N 1 1 508.091 5.088 50 0 KKAAMO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000013554634 553471066 /nfs/dbraw/zinc/47/10/66/553471066.db2.gz QGAOLXFBXYSPFO-WLGONLEPSA-N 1 1 518.400 5.008 50 0 KKAAMO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000013554634 553471068 /nfs/dbraw/zinc/47/10/68/553471068.db2.gz QGAOLXFBXYSPFO-WLGONLEPSA-N 1 1 518.400 5.008 50 0 KKAAMO COc1cccc(C(=O)N2CCC(Oc3ccc(C[N@@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)c1OC ZINC000014971692 553522861 /nfs/dbraw/zinc/52/28/61/553522861.db2.gz YFLKTCBLATYIKW-UHFFFAOYSA-N 1 1 525.649 5.568 50 0 KKAAMO Cc1cc(C)n(Cc2cccc(C(=O)N3CCC(Oc4cccc(C[N@@H+](C)Cc5ccoc5)c4)CC3)c2)n1 ZINC000014991293 553523766 /nfs/dbraw/zinc/52/37/66/553523766.db2.gz OVTQEDOVGAPPKI-UHFFFAOYSA-N 1 1 512.654 5.457 50 0 KKAAMO C[C@H](CNC(=O)c1ccc(C(F)(F)F)cc1)Oc1ccc(C[N@@H+](C)Cc2ccc3ncccc3c2)cc1 ZINC000014998723 553524585 /nfs/dbraw/zinc/52/45/85/553524585.db2.gz AWUMHVHXXLFJGT-HXUWFJFHSA-N 1 1 507.556 6.083 50 0 KKAAMO Cc1ccsc1C(=O)N1CCN(CCOc2ccc(C[N@H+](C)Cc3ccc4ncccc4c3)cc2)CC1 ZINC000015000203 553524984 /nfs/dbraw/zinc/52/49/84/553524984.db2.gz QFOMGUZVHOLMKA-UHFFFAOYSA-N 1 1 514.695 5.074 50 0 KKAAMO Cc1ccc(-n2ncc(C(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000015934815 553542650 /nfs/dbraw/zinc/54/26/50/553542650.db2.gz RSRYHHVWRVHOGF-HSZRJFAPSA-N 1 1 535.733 5.290 50 0 KKAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000015946790 553544840 /nfs/dbraw/zinc/54/48/40/553544840.db2.gz KOJBRAJOHGAIBN-MSOLQXFVSA-N 1 1 502.124 6.618 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000015946790 553544842 /nfs/dbraw/zinc/54/48/42/553544842.db2.gz KOJBRAJOHGAIBN-MSOLQXFVSA-N 1 1 502.124 6.618 50 0 KKAAMO O=C(Oc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1)c1cccc(F)c1 ZINC000015947327 553545146 /nfs/dbraw/zinc/54/51/46/553545146.db2.gz JDNJUSPVSPCNPV-SANMLTNESA-N 1 1 513.594 6.094 50 0 KKAAMO O=C(Oc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1)c1cccc(F)c1 ZINC000015947327 553545147 /nfs/dbraw/zinc/54/51/47/553545147.db2.gz JDNJUSPVSPCNPV-SANMLTNESA-N 1 1 513.594 6.094 50 0 KKAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015975058 553547778 /nfs/dbraw/zinc/54/77/78/553547778.db2.gz ISOSRLYDSPAPRQ-KEZOAJOQSA-N 1 1 504.373 5.148 50 0 KKAAMO O=C(Nc1ccccc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015975058 553547780 /nfs/dbraw/zinc/54/77/80/553547780.db2.gz ISOSRLYDSPAPRQ-KEZOAJOQSA-N 1 1 504.373 5.148 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000016000179 553549639 /nfs/dbraw/zinc/54/96/39/553549639.db2.gz UYLTVABUSBFZQN-AUAHOFGGSA-N 1 1 515.569 5.003 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000016000179 553549642 /nfs/dbraw/zinc/54/96/42/553549642.db2.gz UYLTVABUSBFZQN-AUAHOFGGSA-N 1 1 515.569 5.003 50 0 KKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1cc(Br)ccc1Cl ZINC000016362145 553561316 /nfs/dbraw/zinc/56/13/16/553561316.db2.gz ZEUILGGNJAFCDA-UHFFFAOYSA-N 1 1 502.815 5.816 50 0 KKAAMO O=C(Nc1nc(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1)NC1CCCCC1 ZINC000017178349 553590094 /nfs/dbraw/zinc/59/00/94/553590094.db2.gz QIWBSOHHXXWRQM-UHFFFAOYSA-N 1 1 517.699 5.074 50 0 KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000070454179 553593997 /nfs/dbraw/zinc/59/39/97/553593997.db2.gz HGNHIFJNOKGSKI-URLMMPGGSA-N 1 1 608.735 6.859 50 0 endogenous,in-man KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000070454179 553593999 /nfs/dbraw/zinc/59/39/99/553593999.db2.gz HGNHIFJNOKGSKI-URLMMPGGSA-N 1 1 608.735 6.859 50 0 endogenous,in-man KKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc2c(c1)N(C)C(=O)/C(=C\c1cccc(C)c1)S2)Cc1ccccc1 ZINC000020180065 553603745 /nfs/dbraw/zinc/60/37/45/553603745.db2.gz WNNKOYNRIVQAAP-MWAVMZGNSA-N 1 1 527.734 6.527 50 0 KKAAMO CCC[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(-c4ccccc4)c(=O)c23)C1 ZINC000019596619 553615054 /nfs/dbraw/zinc/61/50/54/553615054.db2.gz AOEZLFPPRPNROB-UHFFFAOYSA-N 1 1 516.519 6.814 50 0 KKAAMO CCC[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(-c4ccccc4)c(=O)c23)C1 ZINC000019596619 553615058 /nfs/dbraw/zinc/61/50/58/553615058.db2.gz AOEZLFPPRPNROB-UHFFFAOYSA-N 1 1 516.519 6.814 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3 ZINC000019685806 553615375 /nfs/dbraw/zinc/61/53/75/553615375.db2.gz FUZMQNZACIFDBL-KYJUHHDHSA-N 1 1 652.788 7.171 50 0 biogenic,in-vitro KKAAMO CCc1cc([C@@H](c2ccccc2F)N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880738 553629533 /nfs/dbraw/zinc/62/95/33/553629533.db2.gz DRXSPALBLUUUFL-GDLZYMKVSA-N 1 1 513.682 6.609 50 0 KKAAMO CCC(=C(c1ccc(OC)cc1)c1ccc(OC)cc1)c1cn(C[C@H](O)C[NH+]2CCOCC2)c2ccccc12 ZINC000019885635 553629825 /nfs/dbraw/zinc/62/98/25/553629825.db2.gz UATDULITYYNLKM-AREMUKBSSA-N 1 1 526.677 5.721 50 0 biogenic KKAAMO CN(C)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000019891510 553630155 /nfs/dbraw/zinc/63/01/55/553630155.db2.gz CYPVINGOPSSHQJ-DQEYMECFSA-N 1 1 500.400 5.319 50 0 KKAAMO Cc1oc2c(c1C)c(C)cc1oc(=O)c(CC(=O)N3CCCC4=C[C@H]5C[C@H](C[N@H+]6CCCC[C@H]56)[C@@H]43)c(C)c21 ZINC000070712105 553633078 /nfs/dbraw/zinc/63/30/78/553633078.db2.gz NAFXUPVWRRFMGO-JWQHQDIRSA-N 1 1 514.666 5.737 50 0 biogenic KKAAMO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000019908813 553633108 /nfs/dbraw/zinc/63/31/08/553633108.db2.gz YBPYBFSAKCTPRK-JGCGQSQUSA-N 1 1 529.728 6.505 50 0 KKAAMO COc1ccc(-n2cnc3c2ncnc3N2CC[NH+]([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000019926062 553633679 /nfs/dbraw/zinc/63/36/79/553633679.db2.gz VYTVMFBSFHYELN-MHZLTWQESA-N 1 1 511.029 5.389 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355196 553641059 /nfs/dbraw/zinc/64/10/59/553641059.db2.gz WUTOPTZZKLYHRM-TZGBDOIBSA-N 1 1 537.704 6.346 50 0 KKAAMO Cc1c(Cc2ccccc2)c(=O)oc2c3c(cc(OCC(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c12)OC(C)(C)CC3 ZINC000079189935 553667659 /nfs/dbraw/zinc/66/76/59/553667659.db2.gz WRGGCYVKSFCTKI-RPLLCQBOSA-N 1 1 558.719 5.555 50 0 biogenic KKAAMO COc1ccc(/C=C2\C[N@@H+](Cc3ccccc3)C[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000020038093 553667952 /nfs/dbraw/zinc/66/79/52/553667952.db2.gz ZGMYKCLMCYAYHD-JRTRDWJKSA-N 1 1 515.657 6.837 50 0 KKAAMO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc1C[C@H]3N(C)CC2 ZINC000082178497 553674531 /nfs/dbraw/zinc/67/45/31/553674531.db2.gz DRACRVAKPKYPSB-FQLXRVMXSA-N 1 1 682.814 6.760 50 0 KKAAMO COc1ccc([C@@H]2[C@@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104131 553688194 /nfs/dbraw/zinc/68/81/94/553688194.db2.gz HICHITIOVVNYNE-SVIHCMKNSA-N 1 1 531.741 5.793 50 0 KKAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2 ZINC000020685090 553688604 /nfs/dbraw/zinc/68/86/04/553688604.db2.gz REPBTXGEXRPQIT-UHFFFAOYSA-N 1 1 522.070 5.104 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020727891 553690978 /nfs/dbraw/zinc/69/09/78/553690978.db2.gz CCDKHTHZGUTIQZ-ZYGWBPEKSA-N 1 1 531.644 5.956 50 0 KKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000020732164 553692241 /nfs/dbraw/zinc/69/22/41/553692241.db2.gz DXMHWXSWCTUAAS-JBASAIQMSA-N 1 1 511.666 5.814 50 0 KKAAMO Cc1ccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)C2=O)cc1 ZINC000020732744 553692769 /nfs/dbraw/zinc/69/27/69/553692769.db2.gz CDIVILGYWAHESS-XHLNEMQHSA-N 1 1 527.690 5.127 50 0 KKAAMO Cc1c(Cl)cccc1NC(=S)N(CCC[N@H+](C)C1CCCCC1)Cc1cccn1C1CCCC1 ZINC000020734476 553693229 /nfs/dbraw/zinc/69/32/29/553693229.db2.gz XGQWEDDVVPCQMO-UHFFFAOYSA-N 1 1 501.184 7.419 50 0 KKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020735902 553693477 /nfs/dbraw/zinc/69/34/77/553693477.db2.gz ZAFGANNZTRRUFT-JBASAIQMSA-N 1 1 527.734 6.527 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020736207 553693749 /nfs/dbraw/zinc/69/37/49/553693749.db2.gz FPSGMIQCHGQJRH-ZZAQJSIPSA-N 1 1 529.681 6.110 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCC[N@@H+]3CCCC[C@@H]3C)cc2)C1=O ZINC000020737077 553694254 /nfs/dbraw/zinc/69/42/54/553694254.db2.gz OWZGFRRQHKPMIA-YBMXKYEKSA-N 1 1 525.718 6.279 50 0 KKAAMO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000020790248 553698127 /nfs/dbraw/zinc/69/81/27/553698127.db2.gz KJRGEHFACVOZQK-JGCGQSQUSA-N 1 1 529.728 6.853 50 0 KKAAMO CCc1ccc(-c2cc3n(n2)C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C3=O)cc1 ZINC000020863777 553700411 /nfs/dbraw/zinc/70/04/11/553700411.db2.gz YYXNDEXCXKDAPD-RNDKRWLGSA-N 1 1 547.788 5.534 50 0 KKAAMO O=C(c1cccc(F)c1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000021796410 553717041 /nfs/dbraw/zinc/71/70/41/553717041.db2.gz SUEKPFKAUAZQKB-UHFFFAOYSA-N 1 1 511.988 5.842 50 0 KKAAMO COc1ccccc1C(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000021796459 553717077 /nfs/dbraw/zinc/71/70/77/553717077.db2.gz VRMGCNUINPNCCN-UHFFFAOYSA-N 1 1 507.569 5.198 50 0 KKAAMO Cc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)cc1 ZINC000021796493 553717083 /nfs/dbraw/zinc/71/70/83/553717083.db2.gz DYKWFUDVIULJSA-UHFFFAOYSA-N 1 1 521.596 5.263 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000021796573 553717086 /nfs/dbraw/zinc/71/70/86/553717086.db2.gz KEPPFYQCVXHGIV-UHFFFAOYSA-N 1 1 517.633 5.757 50 0 KKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000021796799 553717314 /nfs/dbraw/zinc/71/73/14/553717314.db2.gz AIFBBKAIWIOXEH-UHFFFAOYSA-N 1 1 503.606 5.367 50 0 KKAAMO COc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)CC2)cc1 ZINC000021796779 553717325 /nfs/dbraw/zinc/71/73/25/553717325.db2.gz ZWFXSJVYXWQNLX-UHFFFAOYSA-N 1 1 524.024 5.712 50 0 KKAAMO Cc1cccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccccc3)CC2)c1 ZINC000021796742 553717411 /nfs/dbraw/zinc/71/74/11/553717411.db2.gz JCUQALCVEDUIQH-UHFFFAOYSA-N 1 1 503.606 5.124 50 0 KKAAMO COc1ccc(CCc2nc3cc(-c4c(C)noc4C)ccc3n2C[C@H](C)[NH+]2CCOCC2)cc1Cl ZINC000096170456 553727181 /nfs/dbraw/zinc/72/71/81/553727181.db2.gz GEPYBHCJBORHCE-SFHVURJKSA-N 1 1 509.050 5.476 50 0 in-vitro KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(OC)cc2)CC1 ZINC000096275359 553732256 /nfs/dbraw/zinc/73/22/56/553732256.db2.gz VMQLRQVZDPXUDI-GDLZYMKVSA-N 1 1 511.666 5.393 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000096275557 553732738 /nfs/dbraw/zinc/73/27/38/553732738.db2.gz XXNYCVRGIDEQJF-HHHXNRCGSA-N 1 1 519.611 6.395 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000096277074 553734039 /nfs/dbraw/zinc/73/40/39/553734039.db2.gz SPZQGDCWQVFNLC-MUUNZHRXSA-N 1 1 533.638 6.703 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2cccc(OCc3ccccc3)c2)CC1 ZINC000096278247 553734562 /nfs/dbraw/zinc/73/45/62/553734562.db2.gz LXNBECXNFDOQFB-SANMLTNESA-N 1 1 502.058 6.086 50 0 KKAAMO COc1cccc(-c2nc3ccc(-c4cccc(C(F)(F)F)c4)cn3c2C[NH+]2CCN(C(C)=O)CC2)c1 ZINC000096287437 553738334 /nfs/dbraw/zinc/73/83/34/553738334.db2.gz QXTCFUNWYMUZRB-UHFFFAOYSA-N 1 1 508.544 5.360 50 0 KKAAMO CO[C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5cc(C)ccc5C)cn43)CC2)C1 ZINC000096287422 553738346 /nfs/dbraw/zinc/73/83/46/553738346.db2.gz QWZYENBVNOTNSG-PXJZQJOASA-N 1 1 536.720 6.135 50 0 KKAAMO Cc1cccc(C)c1NC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4ccccc4)cn32)CC1 ZINC000096289674 553741671 /nfs/dbraw/zinc/74/16/71/553741671.db2.gz YFGCUPBQUCCEAP-UHFFFAOYSA-N 1 1 515.661 6.635 50 0 KKAAMO C[NH+]1CCN(C(=O)c2cccc(CSc3nnc(Cc4ccccc4)n3-c3cccc(Cl)c3)c2)CC1 ZINC000096289804 553742299 /nfs/dbraw/zinc/74/22/99/553742299.db2.gz YSMIHRMPOAXUHL-UHFFFAOYSA-N 1 1 518.086 5.191 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccs3)n2-c2ccccc2F)CC1 ZINC000096289876 553742549 /nfs/dbraw/zinc/74/25/49/553742549.db2.gz UZSLLZGGAQJTSG-UHFFFAOYSA-N 1 1 507.660 5.205 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4cccs4)n3-c3ccccc3F)c2)CC1 ZINC000096290974 553744392 /nfs/dbraw/zinc/74/43/92/553744392.db2.gz CIIYPAAQTRMGSY-UHFFFAOYSA-N 1 1 507.660 5.205 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4cccs4)n3-c3ccccc3C)c2)CC1 ZINC000096291210 553744851 /nfs/dbraw/zinc/74/48/51/553744851.db2.gz KZFYFXQMSWUVQS-UHFFFAOYSA-N 1 1 503.697 5.374 50 0 KKAAMO CO[C@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3c(-c4ccc(C)cc4)nc4ccc(-c5cccc(C)c5)cn43)CC2)C1 ZINC000096293675 553747038 /nfs/dbraw/zinc/74/70/38/553747038.db2.gz WCTUIDQDTYCUFZ-DGPALRBDSA-N 1 1 536.720 6.135 50 0 KKAAMO Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(CN3CC[NH+](CCSc4ccccc4)CC3)n1-2 ZINC000022574657 553747209 /nfs/dbraw/zinc/74/72/09/553747209.db2.gz XUWGQKLFNMTFOV-UHFFFAOYSA-N 1 1 563.558 5.835 50 0 KKAAMO Cc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)Nc5ccccc5C)CC4)n3c2)c1 ZINC000096294431 553747863 /nfs/dbraw/zinc/74/78/63/553747863.db2.gz FUWVAWXAOUZNMF-UHFFFAOYSA-N 1 1 515.661 6.635 50 0 KKAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000096298527 553748497 /nfs/dbraw/zinc/74/84/97/553748497.db2.gz LMNHSJQJTVBJIC-VTVDOTNSSA-N 1 1 513.597 5.163 50 0 KKAAMO O=C(CCC1CCCC1)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659275 553748784 /nfs/dbraw/zinc/74/87/84/553748784.db2.gz SDIRAKNXSGSLKX-UHFFFAOYSA-N 1 1 503.514 6.604 50 0 KKAAMO CCOC(=O)[C@H]1C[C@@H]1C[NH+]1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659966 553748824 /nfs/dbraw/zinc/74/88/24/553748824.db2.gz YJVBXGFMMSQTKM-RDGATRHJSA-N 1 1 505.486 5.306 50 0 KKAAMO Clc1ccc2c(c1)C[C@H](N1CC[NH+]([C@H]3Cc4cc(Cl)ccc4Sc4ccccc43)CC1)c1ccccc1S2 ZINC000022789203 553750279 /nfs/dbraw/zinc/75/02/79/553750279.db2.gz YKKUMIYOPLAFOV-NSOVKSMOSA-N 1 1 575.630 8.808 50 0 KKAAMO C[C@H](Oc1ccccc1)C(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023425755 553775041 /nfs/dbraw/zinc/77/50/41/553775041.db2.gz JLMXKCPGZHDDGS-QFIPXVFZSA-N 1 1 527.492 6.101 50 0 KKAAMO Cc1ccc2nc(-c3ccc(C(C)C)cc3)cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2c1 ZINC000097945957 553775704 /nfs/dbraw/zinc/77/57/04/553775704.db2.gz AETQTYUEORGEGP-UHFFFAOYSA-N 1 1 539.723 7.881 50 0 KKAAMO O=C([C@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097948924 553797892 /nfs/dbraw/zinc/79/78/92/553797892.db2.gz DVIJIKHIHACNDU-PMERELPUSA-N 1 1 617.193 6.999 50 0 KKAAMO CCCCc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000097948937 553797916 /nfs/dbraw/zinc/79/79/16/553797916.db2.gz AWPSREYTOOFRDF-UHFFFAOYSA-N 1 1 618.619 8.554 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Br)cc2)cc1OC ZINC000025575512 553810431 /nfs/dbraw/zinc/81/04/31/553810431.db2.gz QDPZSALRNGWBHN-RPBOFIJWSA-N 1 1 517.383 5.271 50 0 KKAAMO O=C(NCc1ccccc1)c1cccc(CSc2nc(-c3ccccc3)cc(N3CC[NH+](C/C=C/c4ccccc4)CC3)n2)c1 ZINC000097955954 553835274 /nfs/dbraw/zinc/83/52/74/553835274.db2.gz BDTFILLAFKAFNW-GZTJUZNOSA-N 1 1 611.815 7.201 50 0 KKAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000097956319 553837727 /nfs/dbraw/zinc/83/77/27/553837727.db2.gz ZWKNMFIHDNAPRQ-GGMSWHNTSA-N 1 1 546.092 6.096 50 0 KKAAMO O=C(c1cccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000097956352 553838191 /nfs/dbraw/zinc/83/81/91/553838191.db2.gz JWLJEZWNLQBBOY-OOAXWGSJSA-N 1 1 546.092 5.577 50 0 KKAAMO O=C1c2ccccc2C(=C[NH2+]N(Cc2ccccc2)c2ccccc2)C(=O)N1Cc1ccc2c(c1)OCO2 ZINC000033014728 553888220 /nfs/dbraw/zinc/88/82/20/553888220.db2.gz INXNAUXUGLICAZ-OVVQPSECSA-N 1 1 503.558 5.150 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963408 553889717 /nfs/dbraw/zinc/88/97/17/553889717.db2.gz PCGVBTJYLMFBBB-UHFFFAOYSA-N 1 1 566.774 5.830 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963408 553889721 /nfs/dbraw/zinc/88/97/21/553889721.db2.gz PCGVBTJYLMFBBB-UHFFFAOYSA-N 1 1 566.774 5.830 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963406 553889741 /nfs/dbraw/zinc/88/97/41/553889741.db2.gz DYEVFNJOPPRSFO-UHFFFAOYSA-N 1 1 594.828 6.608 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963406 553889745 /nfs/dbraw/zinc/88/97/45/553889745.db2.gz DYEVFNJOPPRSFO-UHFFFAOYSA-N 1 1 594.828 6.608 50 0 KKAAMO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097963490 553890932 /nfs/dbraw/zinc/89/09/32/553890932.db2.gz UWBCYNIMPQVWOB-HSZRJFAPSA-N 1 1 642.872 7.399 50 0 KKAAMO C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097963490 553890935 /nfs/dbraw/zinc/89/09/35/553890935.db2.gz UWBCYNIMPQVWOB-HSZRJFAPSA-N 1 1 642.872 7.399 50 0 KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097963488 553891117 /nfs/dbraw/zinc/89/11/17/553891117.db2.gz MBFIWLYWRNMGOJ-UHFFFAOYSA-N 1 1 672.942 8.426 50 0 KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097963488 553891124 /nfs/dbraw/zinc/89/11/24/553891124.db2.gz MBFIWLYWRNMGOJ-UHFFFAOYSA-N 1 1 672.942 8.426 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@@]2=O ZINC000033356424 553941508 /nfs/dbraw/zinc/94/15/08/553941508.db2.gz XSYHZZHEXBYQBY-USYZEHPZSA-N 1 1 614.718 5.234 50 0 KKAAMO Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3N2)cc1 ZINC000033358597 553957091 /nfs/dbraw/zinc/95/70/91/553957091.db2.gz SZQXHLKSXDMJKW-XCZPVHLTSA-N 1 1 559.636 6.399 50 0 KKAAMO Cc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4ccccc4N(Cc4cccc(Cl)c4)C3=O)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000033680151 553967870 /nfs/dbraw/zinc/96/78/70/553967870.db2.gz DJLWVDRRJGUMIB-KZXGDREQSA-N 1 1 521.060 6.619 50 0 KKAAMO Cc1ccc([C@@H]2C[N@H+](C)[C@]3(c4ccccc4N(Cc4cccc(Cl)c4)C3=O)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000033680151 553967876 /nfs/dbraw/zinc/96/78/76/553967876.db2.gz DJLWVDRRJGUMIB-KZXGDREQSA-N 1 1 521.060 6.619 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667442 553982114 /nfs/dbraw/zinc/98/21/14/553982114.db2.gz BNXKOUINDZOVPG-ROJLCIKYSA-N 1 1 526.627 6.586 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667442 553982112 /nfs/dbraw/zinc/98/21/12/553982112.db2.gz BNXKOUINDZOVPG-ROJLCIKYSA-N 1 1 526.627 6.586 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCCc1ccccn1 ZINC000034671615 553982350 /nfs/dbraw/zinc/98/23/50/553982350.db2.gz AXSHSLGNMFARCU-SAIUNTKASA-N 1 1 519.689 6.054 50 0 KKAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)c(OC)c1OC ZINC000034681646 553985115 /nfs/dbraw/zinc/98/51/15/553985115.db2.gz KLDXFAQWOMKYRV-UHFFFAOYSA-N 1 1 532.685 5.370 50 0 KKAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3ccc(C(F)(F)F)cc3)CC2)nc1)c1ccc(C(F)(F)F)cc1 ZINC000034681611 553985187 /nfs/dbraw/zinc/98/51/87/553985187.db2.gz OAGUTJZVRQVGBD-UHFFFAOYSA-N 1 1 522.493 6.084 50 0 KKAAMO COc1ccccc1C(=O)N(c1cccc(C)c1)C1CC[NH+](Cc2ccc(OC)c(OC)c2OC)CC1 ZINC000034683382 553985706 /nfs/dbraw/zinc/98/57/06/553985706.db2.gz QSRSLEIVCYFSLU-UHFFFAOYSA-N 1 1 504.627 5.341 50 0 KKAAMO COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)c1 ZINC000034683418 553985964 /nfs/dbraw/zinc/98/59/64/553985964.db2.gz NGDBMGKCXJUMIJ-UHFFFAOYSA-N 1 1 508.590 5.172 50 0 KKAAMO COc1ccc(C[N@@H+](C[C@H](Oc2ccc(F)cc2)C(=O)Nc2ccc(OC)c(OC)c2)C(C)C)cc1OC ZINC000034697099 553991066 /nfs/dbraw/zinc/99/10/66/553991066.db2.gz FMRDMGHVPJEUGY-NDEPHWFRSA-N 1 1 526.605 5.157 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698832 553991478 /nfs/dbraw/zinc/99/14/78/553991478.db2.gz QLKVBXMNISXUHE-PDDLMNHVSA-N 1 1 528.668 6.554 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698737 553991547 /nfs/dbraw/zinc/99/15/47/553991547.db2.gz SDKSCOATSSTLML-YWEHKCAJSA-N 1 1 512.591 6.919 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc[nH]2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699127 553991935 /nfs/dbraw/zinc/99/19/35/553991935.db2.gz ROTDXEFQIGLLJT-ATIYNZHBSA-N 1 1 501.568 6.187 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698856 553991962 /nfs/dbraw/zinc/99/19/62/553991962.db2.gz UMDXQFSJIDKGJV-POURPWNDSA-N 1 1 501.114 7.339 50 0 KKAAMO COc1ccc([C@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699320 553992332 /nfs/dbraw/zinc/99/23/32/553992332.db2.gz XATDTIHUKUFJHF-RBJSKKJNSA-N 1 1 514.563 6.117 50 0 KKAAMO COc1ccc([C@H]2C[N@@H+](Cc3cc(OC)cc(OC)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699326 553992366 /nfs/dbraw/zinc/99/23/66/553992366.db2.gz NEKMJQLHAZFCCA-SETSBSEESA-N 1 1 506.618 5.116 50 0 KKAAMO Cc1cccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034699161 553992387 /nfs/dbraw/zinc/99/23/87/553992387.db2.gz QUHIANOGRRULSF-LSYYVWMOSA-N 1 1 512.591 6.919 50 0 KKAAMO Cc1ccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)cc1 ZINC000034699142 553992443 /nfs/dbraw/zinc/99/24/43/553992443.db2.gz RDXPOVJIZRZKQZ-NAKRPHOHSA-N 1 1 512.591 6.919 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000034716820 553995619 /nfs/dbraw/zinc/99/56/19/553995619.db2.gz GDURILCLJKJVSR-TZRRMPRUSA-N 1 1 501.042 5.195 50 0 KKAAMO Cc1cc([C@@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716818 553995730 /nfs/dbraw/zinc/99/57/30/553995730.db2.gz UXUMWYGVNIKARA-VSGBNLITSA-N 1 1 520.092 5.738 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034788102 554005272 /nfs/dbraw/zinc/00/52/72/554005272.db2.gz UFGZUXARNCHKHZ-WJOKGBTCSA-N 1 1 529.750 5.721 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000034788102 554005269 /nfs/dbraw/zinc/00/52/69/554005269.db2.gz UFGZUXARNCHKHZ-WJOKGBTCSA-N 1 1 529.750 5.721 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000034829797 554012891 /nfs/dbraw/zinc/01/28/91/554012891.db2.gz SVAXEGFFFRXBLC-HRFSGMKKSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000034829797 554012894 /nfs/dbraw/zinc/01/28/94/554012894.db2.gz SVAXEGFFFRXBLC-HRFSGMKKSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000034829959 554013733 /nfs/dbraw/zinc/01/37/33/554013733.db2.gz KSJIYJMMQOSFBH-DFHRPNOPSA-N 1 1 502.684 5.077 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccc(C)cc3)C[C@H]2C)cc1 ZINC000034829959 554013731 /nfs/dbraw/zinc/01/37/31/554013731.db2.gz KSJIYJMMQOSFBH-DFHRPNOPSA-N 1 1 502.684 5.077 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830234 554014733 /nfs/dbraw/zinc/01/47/33/554014733.db2.gz CBVRTSPIBICAQR-SSEXGKCCSA-N 1 1 507.744 5.425 50 0 KKAAMO CC[C@H](C(=O)N1CCCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830248 554014953 /nfs/dbraw/zinc/01/49/53/554014953.db2.gz IYXQGTVXRXKXOE-HVNZXBJASA-N 1 1 529.750 5.649 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000034830346 554015211 /nfs/dbraw/zinc/01/52/11/554015211.db2.gz QSZBAPLRLYFOLQ-YUDQIZAISA-N 1 1 523.702 5.530 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000034830347 554015275 /nfs/dbraw/zinc/01/52/75/554015275.db2.gz QSZBAPLRLYFOLQ-JHOBJCJYSA-N 1 1 523.702 5.530 50 0 KKAAMO Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830386 554015664 /nfs/dbraw/zinc/01/56/64/554015664.db2.gz GLOXOEOMNNNGES-LXFBAYGMSA-N 1 1 501.696 5.076 50 0 KKAAMO COc1c(C)cc([C@H]2CCc3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cn3C2)cc1C ZINC000034899218 554024015 /nfs/dbraw/zinc/02/40/15/554024015.db2.gz BEIJHSJRKPQHHV-NDEPHWFRSA-N 1 1 534.704 5.786 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2Cl)CC[N@H+](C)C4)cc1 ZINC000035427119 554050643 /nfs/dbraw/zinc/05/06/43/554050643.db2.gz PISZQAUQDGFCOY-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2Cl)CC[N@@H+](C)C4)cc1 ZINC000035427119 554050646 /nfs/dbraw/zinc/05/06/46/554050646.db2.gz PISZQAUQDGFCOY-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427225 554050999 /nfs/dbraw/zinc/05/09/99/554050999.db2.gz ABPQNEROVYATDB-RUZDIDTESA-N 1 1 507.034 6.456 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427225 554050997 /nfs/dbraw/zinc/05/09/97/554050997.db2.gz ABPQNEROVYATDB-RUZDIDTESA-N 1 1 507.034 6.456 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2F)CC[N@@H+](C)C4)cc1 ZINC000035427188 554051070 /nfs/dbraw/zinc/05/10/70/554051070.db2.gz CYQXFNNLZDISAG-SANMLTNESA-N 1 1 520.605 5.951 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2F)CC[N@H+](C)C4)cc1 ZINC000035427188 554051067 /nfs/dbraw/zinc/05/10/67/554051067.db2.gz CYQXFNNLZDISAG-SANMLTNESA-N 1 1 520.605 5.951 50 0 KKAAMO COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)c1 ZINC000035427233 554051647 /nfs/dbraw/zinc/05/16/47/554051647.db2.gz WENXXHBFLXCYBR-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO COc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@H+](C)CC4)c1 ZINC000035427233 554051651 /nfs/dbraw/zinc/05/16/51/554051651.db2.gz WENXXHBFLXCYBR-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCO4)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427272 554051673 /nfs/dbraw/zinc/05/16/73/554051673.db2.gz APGQEDFOSKLZKD-AREMUKBSSA-N 1 1 516.598 5.532 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCO4)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427272 554051669 /nfs/dbraw/zinc/05/16/69/554051669.db2.gz APGQEDFOSKLZKD-AREMUKBSSA-N 1 1 516.598 5.532 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCc2ccc(F)cc2)CC[N@H+](C)C4)c1 ZINC000035427346 554051804 /nfs/dbraw/zinc/05/18/04/554051804.db2.gz QAAOBBFDEOIODW-HHHXNRCGSA-N 1 1 516.642 5.489 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)NCc2ccc(F)cc2)CC[N@@H+](C)C4)c1 ZINC000035427346 554051805 /nfs/dbraw/zinc/05/18/05/554051805.db2.gz QAAOBBFDEOIODW-HHHXNRCGSA-N 1 1 516.642 5.489 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2OC)CC[N@@H+](C)C4)c1 ZINC000035427336 554051834 /nfs/dbraw/zinc/05/18/34/554051834.db2.gz PCZAFQBQCBVRHH-NDEPHWFRSA-N 1 1 528.678 5.989 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2OC)CC[N@H+](C)C4)c1 ZINC000035427336 554051829 /nfs/dbraw/zinc/05/18/29/554051829.db2.gz PCZAFQBQCBVRHH-NDEPHWFRSA-N 1 1 528.678 5.989 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2cc(OC)cc(OC)c2)CC1 ZINC000035471678 554056218 /nfs/dbraw/zinc/05/62/18/554056218.db2.gz WIEBYJGAQDEQOP-GDLZYMKVSA-N 1 1 511.666 5.393 50 0 KKAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)Nc1ccc(F)cc1 ZINC000098009849 554071699 /nfs/dbraw/zinc/07/16/99/554071699.db2.gz TXXRBPOSNWGJMS-UHFFFAOYSA-N 1 1 548.062 5.647 50 0 KKAAMO CC(C)(C)c1ccc(Cn2cccc2C[N@@H+](C[C@@H](O)COCc2ccccc2)CC2CCCCC2)cc1 ZINC000035840719 554080382 /nfs/dbraw/zinc/08/03/82/554080382.db2.gz DSDCJVXYGNFFOM-JGCGQSQUSA-N 1 1 502.743 6.794 50 0 KKAAMO CCC[C@H](O)C[N@@H+](CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842604 554081169 /nfs/dbraw/zinc/08/11/69/554081169.db2.gz ZREJQSMTMUFYPT-NDEPHWFRSA-N 1 1 521.746 5.536 50 0 KKAAMO CC(C)[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)Cc1ccccc1 ZINC000035842645 554081245 /nfs/dbraw/zinc/08/12/45/554081245.db2.gz LXZYHIOHIAPBNZ-WJOKGBTCSA-N 1 1 539.764 6.351 50 0 KKAAMO Cc1ccc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1 ZINC000035843684 554082474 /nfs/dbraw/zinc/08/24/74/554082474.db2.gz BQWSBQOSDHCTDY-UHFFFAOYSA-N 1 1 520.504 7.019 50 0 KKAAMO Cc1ccc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C2CC2)cc1 ZINC000035843684 554082477 /nfs/dbraw/zinc/08/24/77/554082477.db2.gz BQWSBQOSDHCTDY-UHFFFAOYSA-N 1 1 520.504 7.019 50 0 KKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]2CCCO2)o1 ZINC000035844892 554083265 /nfs/dbraw/zinc/08/32/65/554083265.db2.gz XHLXKHSDXNHGIQ-SANMLTNESA-N 1 1 514.588 5.859 50 0 KKAAMO Cc1ccc(CN(CCc2ccccc2)C(=O)C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]2CCCO2)o1 ZINC000035844892 554083270 /nfs/dbraw/zinc/08/32/70/554083270.db2.gz XHLXKHSDXNHGIQ-SANMLTNESA-N 1 1 514.588 5.859 50 0 KKAAMO Cc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000035851499 554083433 /nfs/dbraw/zinc/08/34/33/554083433.db2.gz OQELHGRXMOMMAJ-YWWISXKNSA-N 1 1 510.106 7.698 50 0 KKAAMO C[C@H](NC(=O)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12)c1ccccc1 ZINC000035871464 554085890 /nfs/dbraw/zinc/08/58/90/554085890.db2.gz LJGZUDQKQVFSON-JKJMAWGESA-N 1 1 507.600 5.488 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccc(Cl)cc4)cnn(-c4cccc(Cl)c4)c3=O)c2)CC1 ZINC000098015466 554099465 /nfs/dbraw/zinc/09/94/65/554099465.db2.gz XJFDNWFLZADXLD-UHFFFAOYSA-N 1 1 564.473 5.853 50 0 KKAAMO COc1ccc([C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cn(C)c3ccccc23)cc1OC ZINC000098016525 554102103 /nfs/dbraw/zinc/10/21/03/554102103.db2.gz BXYHDVSPUBEGPM-HKBQPEDESA-N 1 1 573.737 6.651 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000098021256 554117420 /nfs/dbraw/zinc/11/74/20/554117420.db2.gz AXJCGTCLDLGFBX-UHFFFAOYSA-N 1 1 614.856 6.863 50 0 KKAAMO O=C(C[C@H](c1c[nH]c2ccccc21)c1cccc(C(F)(F)F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098021378 554118455 /nfs/dbraw/zinc/11/84/55/554118455.db2.gz CCMFOPWOCMDITI-PMERELPUSA-N 1 1 567.655 7.643 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(F)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000035999595 554127333 /nfs/dbraw/zinc/12/73/33/554127333.db2.gz OQFWWIRRRIUULW-AYHHAJBCSA-N 1 1 525.649 6.584 50 0 KKAAMO COC(=O)C[C@H]([NH2+][C@@H]1C(C)=C(C)C(=O)N1C[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@H]12)c1ccc(C)cc1C ZINC000098044722 554129533 /nfs/dbraw/zinc/12/95/33/554129533.db2.gz PUQWQRQRAFROSL-CAOUCZLDSA-N 1 1 584.845 7.836 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000036007014 554131978 /nfs/dbraw/zinc/13/19/78/554131978.db2.gz AEAVFOUDTJGFPC-FFEPWHKBSA-N 1 1 505.643 6.199 50 0 KKAAMO Cc1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCCc3ccccn3)co2)c(C)c1 ZINC000036064033 554162559 /nfs/dbraw/zinc/16/25/59/554162559.db2.gz GICKLFVJNKRFTJ-UHFFFAOYSA-N 1 1 507.638 5.385 50 0 KKAAMO Cc1ccc(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCCc3ccccn3)co2)c(C)c1 ZINC000036064033 554162555 /nfs/dbraw/zinc/16/25/55/554162555.db2.gz GICKLFVJNKRFTJ-UHFFFAOYSA-N 1 1 507.638 5.385 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3cccc(C(F)(F)F)c3)[C@@H](C)C(C)C)n2)C1 ZINC000036069185 554166040 /nfs/dbraw/zinc/16/60/40/554166040.db2.gz MTGSXIHYCJSSAY-AZUAARDMSA-N 1 1 509.569 5.155 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3cccc(C(F)(F)F)c3)[C@@H](C)C(C)C)n2)C1 ZINC000036069185 554166036 /nfs/dbraw/zinc/16/60/36/554166036.db2.gz MTGSXIHYCJSSAY-AZUAARDMSA-N 1 1 509.569 5.155 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3ccccc3)C[C@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036145508 554197730 /nfs/dbraw/zinc/19/77/30/554197730.db2.gz DESVDVNSWJLYTO-GDLZYMKVSA-N 1 1 513.634 5.762 50 0 KKAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccc(F)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146794 554198082 /nfs/dbraw/zinc/19/80/82/554198082.db2.gz NWXYRCUVHTYKDD-RBBKRZOGSA-N 1 1 507.389 5.298 50 0 KKAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146747 554198228 /nfs/dbraw/zinc/19/82/28/554198228.db2.gz YWJCPDUGNPGTHU-UNMCSNQZSA-N 1 1 507.389 5.298 50 0 KKAAMO COCCC[N@H+](Cc1ccsc1)Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1 ZINC000036202896 554200748 /nfs/dbraw/zinc/20/07/48/554200748.db2.gz IAWOOYUEDCQTGF-UHFFFAOYSA-N 1 1 507.652 5.681 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)c1ccccc1)[C@H](c1ccc(F)cc1)C[N@H+]2C ZINC000036201509 554200780 /nfs/dbraw/zinc/20/07/80/554200780.db2.gz MCPWGYMZINJRRH-JIBXKPLWSA-N 1 1 504.605 6.105 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)c1ccccc1)[C@H](c1ccc(F)cc1)C[N@@H+]2C ZINC000036201509 554200784 /nfs/dbraw/zinc/20/07/84/554200784.db2.gz MCPWGYMZINJRRH-JIBXKPLWSA-N 1 1 504.605 6.105 50 0 KKAAMO COc1cccc(C[N@@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@H]2CCCO2)c1 ZINC000036203377 554201180 /nfs/dbraw/zinc/20/11/80/554201180.db2.gz VHZDZGPTBFWAKH-MUUNZHRXSA-N 1 1 519.588 6.032 50 0 KKAAMO COc1cccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@H]2CCCO2)c1 ZINC000036203377 554201185 /nfs/dbraw/zinc/20/11/85/554201185.db2.gz VHZDZGPTBFWAKH-MUUNZHRXSA-N 1 1 519.588 6.032 50 0 KKAAMO OC(c1ccc(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)o1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000036203041 554201316 /nfs/dbraw/zinc/20/13/16/554201316.db2.gz QZSGZVHYZINOKQ-HHHXNRCGSA-N 1 1 507.552 6.162 50 0 KKAAMO OC(c1ccc(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)o1)(c1cccc(F)c1)c1cccc(F)c1 ZINC000036203041 554201313 /nfs/dbraw/zinc/20/13/13/554201313.db2.gz QZSGZVHYZINOKQ-HHHXNRCGSA-N 1 1 507.552 6.162 50 0 KKAAMO CC[C@H](C)[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000036302055 554211855 /nfs/dbraw/zinc/21/18/55/554211855.db2.gz UAXRSEWQUQEUOH-CUBQBAPOSA-N 1 1 529.681 6.160 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036303968 554213707 /nfs/dbraw/zinc/21/37/07/554213707.db2.gz UIXDGXAVUWETIS-AREMUKBSSA-N 1 1 505.609 6.313 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000036304238 554214434 /nfs/dbraw/zinc/21/44/34/554214434.db2.gz VNPGJEJJZUPQCE-BJKOFHAPSA-N 1 1 529.628 5.408 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000036304238 554214437 /nfs/dbraw/zinc/21/44/37/554214437.db2.gz VNPGJEJJZUPQCE-BJKOFHAPSA-N 1 1 529.628 5.408 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H](O)COCC(C)C ZINC000036305081 554214877 /nfs/dbraw/zinc/21/48/77/554214877.db2.gz RTMPJBQYJYOANL-HSZRJFAPSA-N 1 1 502.055 5.015 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)Cc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305213 554215001 /nfs/dbraw/zinc/21/50/01/554215001.db2.gz VXMCGLDDECJFSE-SANMLTNESA-N 1 1 502.058 6.348 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000036305596 554215163 /nfs/dbraw/zinc/21/51/63/554215163.db2.gz HTKFHQOSJUXRMI-BVAGGSTKSA-N 1 1 523.674 5.045 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](Cc3ccco3)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305363 554215264 /nfs/dbraw/zinc/21/52/64/554215264.db2.gz UQWQNCROWYLDBD-HSZRJFAPSA-N 1 1 505.615 5.269 50 0 KKAAMO COc1cccc(Oc2c(C[N@H+](Cc3ccco3)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)c1 ZINC000036305363 554215268 /nfs/dbraw/zinc/21/52/68/554215268.db2.gz UQWQNCROWYLDBD-HSZRJFAPSA-N 1 1 505.615 5.269 50 0 KKAAMO COc1ccc(Oc2c(C[N@@H+](Cc3ccco3)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306047 554215365 /nfs/dbraw/zinc/21/53/65/554215365.db2.gz POQJOILDCNSSAH-HSZRJFAPSA-N 1 1 505.615 5.269 50 0 KKAAMO COc1ccc(Oc2c(C[N@H+](Cc3ccco3)C[C@@H](O)COC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036306047 554215369 /nfs/dbraw/zinc/21/53/69/554215369.db2.gz POQJOILDCNSSAH-HSZRJFAPSA-N 1 1 505.615 5.269 50 0 KKAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@H](O)COCc3ccccc3)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306543 554215728 /nfs/dbraw/zinc/21/57/28/554215728.db2.gz NNGGGJMAAREVFY-NDEPHWFRSA-N 1 1 511.666 5.978 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)COc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307267 554215785 /nfs/dbraw/zinc/21/57/85/554215785.db2.gz SBSBNXNZKXERSP-RUZDIDTESA-N 1 1 501.602 5.670 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036307975 554216282 /nfs/dbraw/zinc/21/62/82/554216282.db2.gz HEYZAHYUUSRUJC-AREMUKBSSA-N 1 1 515.629 6.331 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036307975 554216287 /nfs/dbraw/zinc/21/62/87/554216287.db2.gz HEYZAHYUUSRUJC-AREMUKBSSA-N 1 1 515.629 6.331 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000036307981 554216302 /nfs/dbraw/zinc/21/63/02/554216302.db2.gz SDBFNIDPDAACKD-MUUNZHRXSA-N 1 1 529.656 6.469 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000036307981 554216296 /nfs/dbraw/zinc/21/62/96/554216296.db2.gz SDBFNIDPDAACKD-MUUNZHRXSA-N 1 1 529.656 6.469 50 0 KKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036307644 554216316 /nfs/dbraw/zinc/21/63/16/554216316.db2.gz CPGBYFWCJTYAOY-AREMUKBSSA-N 1 1 503.618 5.808 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000036307978 554216380 /nfs/dbraw/zinc/21/63/80/554216380.db2.gz SDBFNIDPDAACKD-NDEPHWFRSA-N 1 1 529.656 6.469 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COCc1ccccc1)C1CC1 ZINC000036307978 554216384 /nfs/dbraw/zinc/21/63/84/554216384.db2.gz SDBFNIDPDAACKD-NDEPHWFRSA-N 1 1 529.656 6.469 50 0 KKAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@@H](O)COCc1ccccc1 ZINC000036309402 554217089 /nfs/dbraw/zinc/21/70/89/554217089.db2.gz XTIWKHOZTQKLTP-IAPPQJPRSA-N 1 1 536.738 5.159 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2cccc(Cl)c2)c1Oc1ccccc1)CC(C)C ZINC000036313656 554218940 /nfs/dbraw/zinc/21/89/40/554218940.db2.gz JZPBACIITUDIHE-VWLOTQADSA-N 1 1 500.083 6.262 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036313707 554219267 /nfs/dbraw/zinc/21/92/67/554219267.db2.gz KNDBSYSJMYCHAX-QHCPKHFHSA-N 1 1 502.055 5.252 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl ZINC000036313707 554219262 /nfs/dbraw/zinc/21/92/62/554219262.db2.gz KNDBSYSJMYCHAX-QHCPKHFHSA-N 1 1 502.055 5.252 50 0 KKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@@H](O)COC(C)(C)C ZINC000036316113 554219682 /nfs/dbraw/zinc/21/96/82/554219682.db2.gz BCRMIDXPHJGWTF-JOCHJYFZSA-N 1 1 501.618 5.792 50 0 KKAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)cc1C ZINC000036340972 554220169 /nfs/dbraw/zinc/22/01/69/554220169.db2.gz MSIPSDZLYRSECA-LJAQVGFWSA-N 1 1 501.074 5.452 50 0 KKAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)N1N=C(c2ccccc2Cl)C[C@H]1c1ccccc1Cl ZINC000036340994 554220181 /nfs/dbraw/zinc/22/01/81/554220181.db2.gz RQYKUMGDPBAAEL-MHZLTWQESA-N 1 1 507.465 5.489 50 0 KKAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccc(Cl)cc3)C2)c1 ZINC000036345063 554223343 /nfs/dbraw/zinc/22/33/43/554223343.db2.gz CBJHOTKWMUUVAY-LJAQVGFWSA-N 1 1 501.074 5.452 50 0 KKAAMO Cc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000036718262 554230522 /nfs/dbraw/zinc/23/05/22/554230522.db2.gz YZDAUBHCKMUBPB-UHFFFAOYSA-N 1 1 525.721 5.514 50 0 KKAAMO Cc1ccc(S(=O)(=O)CCCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000036718262 554230518 /nfs/dbraw/zinc/23/05/18/554230518.db2.gz YZDAUBHCKMUBPB-UHFFFAOYSA-N 1 1 525.721 5.514 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(Cn3c4cc(C)c(C)cc4nc3Cc3cccc(Cl)c3)cc2)CC1 ZINC000037398594 554240778 /nfs/dbraw/zinc/24/07/78/554240778.db2.gz UMDBAHHFVPHFGB-UHFFFAOYSA-N 1 1 501.074 5.723 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4cccs4)n3-c3ccc(OC)cc3)cc2)CC1 ZINC000037398805 554241084 /nfs/dbraw/zinc/24/10/84/554241084.db2.gz UTQAGYHBLWSRRU-UHFFFAOYSA-N 1 1 519.696 5.074 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccncc4)n3-c3cccc(Cl)c3)cc2)CC1 ZINC000037398733 554241140 /nfs/dbraw/zinc/24/11/40/554241140.db2.gz ZGUQJXAQNPSFDU-UHFFFAOYSA-N 1 1 519.074 5.053 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccccc2F)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037524000 554250036 /nfs/dbraw/zinc/25/00/36/554250036.db2.gz CKYFFCMWEQOLFE-SHQCIBLASA-N 1 1 530.581 6.998 50 0 KKAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@H+]4CCCC[C@@H]4CC)CC3)s2)cc1 ZINC000038139226 554259573 /nfs/dbraw/zinc/25/95/73/554259573.db2.gz AAFSCBARLTYFOK-SANMLTNESA-N 1 1 579.815 5.327 50 0 KKAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)CC3)s2)cc1 ZINC000038139232 554259596 /nfs/dbraw/zinc/25/95/96/554259596.db2.gz RVQRYHKCQGCGKZ-PSWAGMNNSA-N 1 1 579.815 5.040 50 0 KKAAMO CC[NH+]1CCN(C(=O)Cc2ccc(Nc3ncc(F)c(Nc4ccc(C(=O)Nc5ccccc5Cl)cc4)n3)cc2)CC1 ZINC000042803194 554296281 /nfs/dbraw/zinc/29/62/81/554296281.db2.gz AKSIZPIFQAYJGF-UHFFFAOYSA-N 1 1 588.087 5.715 50 0 in-vitro KKAAMO C[C@@H](Oc1cc(-n2cnc3ccc(C[NH+]4CCN(C)CC4)cc32)sc1C(N)=O)c1ccccc1C(F)(F)F ZINC000043154472 554297389 /nfs/dbraw/zinc/29/73/89/554297389.db2.gz ZHJGWYRLJUCMRT-QGZVFWFLSA-N 1 1 543.615 5.092 50 0 investigational KKAAMO CCOc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(OCC)cc3)CC2)cc1 ZINC000046853923 554320906 /nfs/dbraw/zinc/32/09/06/554320906.db2.gz KVANNBPSKSUKSY-UHFFFAOYSA-N 1 1 547.659 5.847 50 0 KKAAMO O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](CCc1ccccc1)C3)Nc1ccccc1 ZINC000053292001 554332403 /nfs/dbraw/zinc/33/24/03/554332403.db2.gz OUBVCNXFBCHKHF-UHFFFAOYSA-N 1 1 552.725 5.779 50 0 KKAAMO Cc1nn2c(nc(C(C)(C)C)cc2N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1-c1ccc(Cl)cc1 ZINC000054274635 554349188 /nfs/dbraw/zinc/34/91/88/554349188.db2.gz OJXOTQKKKNSKCC-UHFFFAOYSA-N 1 1 508.497 6.631 50 0 KKAAMO Cc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH2+]Cc2cccnc2)C[C@H](C(C)(C)C)CC3)c(C)c1 ZINC000057311965 554353683 /nfs/dbraw/zinc/35/36/83/554353683.db2.gz GAQQHYIOMOLAKS-OAQYLSRUSA-N 1 1 504.700 5.892 50 0 KKAAMO Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)c2ccccc23)cc1C ZINC000059522983 554404313 /nfs/dbraw/zinc/40/43/13/554404313.db2.gz IWFDIRSGTKLVNX-UHFFFAOYSA-N 1 1 588.737 5.639 50 0 KKAAMO O=C(c1cnn2c1nc(-c1ccco1)cc2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059832246 554432737 /nfs/dbraw/zinc/43/27/37/554432737.db2.gz UJQMCKBHZBQHGI-UHFFFAOYSA-N 1 1 531.538 5.556 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000100866731 554497123 /nfs/dbraw/zinc/49/71/23/554497123.db2.gz AMAOOGVPCWUHJN-KEZOAJOQSA-N 1 1 548.824 5.257 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000100866731 554497124 /nfs/dbraw/zinc/49/71/24/554497124.db2.gz AMAOOGVPCWUHJN-KEZOAJOQSA-N 1 1 548.824 5.257 50 0 KKAAMO CC(=O)Nc1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1Sc1ccc(C)cc1 ZINC000063720458 554510359 /nfs/dbraw/zinc/51/03/59/554510359.db2.gz BSFCOSLIXHXCDM-UHFFFAOYSA-N 1 1 523.102 5.310 50 0 KKAAMO COc1ccc(-c2cc(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)c3cc(C(C)C)ccc3n2)cc1 ZINC000063720426 554510464 /nfs/dbraw/zinc/51/04/64/554510464.db2.gz GOJMPADRJALMIH-UHFFFAOYSA-N 1 1 508.666 5.586 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000101064451 554571766 /nfs/dbraw/zinc/57/17/66/554571766.db2.gz FKAMQLIXAPDCRK-PTRUDAKASA-N 1 1 562.851 5.117 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000101064451 554571767 /nfs/dbraw/zinc/57/17/67/554571767.db2.gz FKAMQLIXAPDCRK-PTRUDAKASA-N 1 1 562.851 5.117 50 0 KKAAMO COc1ccc(-n2nc(-c3ccc(C)c(C)c3)cc2C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000101110625 554641624 /nfs/dbraw/zinc/64/16/24/554641624.db2.gz XKEZFRYDDWMCBK-UHFFFAOYSA-N 1 1 556.710 6.712 50 0 KKAAMO O=C(c1cc2sc(Br)cc2n1Cc1ccc(F)c(F)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101115319 554642809 /nfs/dbraw/zinc/64/28/09/554642809.db2.gz UHNHPRJYWOCVAT-UHFFFAOYSA-N 1 1 530.438 5.750 50 0 KKAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101202841 554673247 /nfs/dbraw/zinc/67/32/47/554673247.db2.gz KBLHILREQNVSSP-BIRRFFDLSA-N 1 1 625.597 5.054 50 0 biogenic KKAAMO C[N@@H+](CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101205618 554675637 /nfs/dbraw/zinc/67/56/37/554675637.db2.gz DBVANVNXSDDHHB-LCKZEXAISA-N 1 1 634.777 5.149 50 0 biogenic KKAAMO COc1cccc(/C=C/C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)c1 ZINC000101215720 554681685 /nfs/dbraw/zinc/68/16/85/554681685.db2.gz XGHCFMCSRWABMP-XNTDXEJSSA-N 1 1 533.607 5.597 50 0 KKAAMO COc1ccc(/C=C/C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(OC)cc3)CC2)cc1 ZINC000101215793 554681979 /nfs/dbraw/zinc/68/19/79/554681979.db2.gz AJNZWSAFZAZOHP-LICLKQGHSA-N 1 1 545.643 5.467 50 0 KKAAMO Cc1cccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(Cl)c3)CC2)c1 ZINC000101216288 554683174 /nfs/dbraw/zinc/68/31/74/554683174.db2.gz NPYXTFQOUYTHJX-UHFFFAOYSA-N 1 1 538.051 5.777 50 0 KKAAMO COc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000101216566 554684076 /nfs/dbraw/zinc/68/40/76/554684076.db2.gz KGHFROZTFXTBDY-UHFFFAOYSA-N 1 1 533.632 5.132 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1)Cc1ccccc1 ZINC000101226164 554688731 /nfs/dbraw/zinc/68/87/31/554688731.db2.gz KZKYUIVPCVBNOY-KKLWWLSJSA-N 1 1 579.716 6.344 50 0 KKAAMO COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000101250704 554694104 /nfs/dbraw/zinc/69/41/04/554694104.db2.gz BDKBPVWBEDYCAV-ZKUMYENDSA-N 1 1 541.648 5.001 50 0 KKAAMO COc1ccc([C@@H]2[NH2+][C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000101250704 554694105 /nfs/dbraw/zinc/69/41/05/554694105.db2.gz BDKBPVWBEDYCAV-ZKUMYENDSA-N 1 1 541.648 5.001 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3cccc(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254831 554695493 /nfs/dbraw/zinc/69/54/93/554695493.db2.gz XQKFTIUPMXIKGB-HKBQPEDESA-N 1 1 634.246 5.668 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254815 554695539 /nfs/dbraw/zinc/69/55/39/554695539.db2.gz RFOUODKSKGQFCU-WJOKGBTCSA-N 1 1 634.246 5.668 50 0 KKAAMO O=C(C[C@@H]1C(=O)N(c2ccc(F)cc2)C(=S)N1CCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254863 554695834 /nfs/dbraw/zinc/69/58/34/554695834.db2.gz KYDREQSXADOZFY-MUUNZHRXSA-N 1 1 594.156 5.018 50 0 KKAAMO Cc1cccc(C[N@@H+](C[C@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@@H]2CCCO2)c1 ZINC000101255899 554696773 /nfs/dbraw/zinc/69/67/73/554696773.db2.gz PCYPAXKKKZBVFE-LSYYVWMOSA-N 1 1 562.579 6.037 50 0 KKAAMO O=C(Cc1ccc2c(c1)OCO2)N1CC[NH+](Cc2ccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC000101329659 554730469 /nfs/dbraw/zinc/73/04/69/554730469.db2.gz VELKPAJKKKLELP-UHFFFAOYSA-N 1 1 550.537 5.038 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@H](C)C2)cc1 ZINC000101341059 554735295 /nfs/dbraw/zinc/73/52/95/554735295.db2.gz QXXSAVXKVKGEHG-XJFCNFDWSA-N 1 1 579.832 5.613 50 0 KKAAMO O=C(c1cccnc1)[C@@H]1[C@@H](C(=O)c2cccc3ccccc32)[N@@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101346133 554737356 /nfs/dbraw/zinc/73/73/56/554737356.db2.gz RDCFPFDHKOEJPK-UOWMXVQPSA-N 1 1 547.614 6.217 50 0 KKAAMO O=C(c1cccnc1)[C@@H]1[C@@H](C(=O)c2cccc3ccccc32)[N@H+]2C=Cc3ccccc3[C@@H]2[C@]12C(=O)Nc1ccccc12 ZINC000101346133 554737358 /nfs/dbraw/zinc/73/73/58/554737358.db2.gz RDCFPFDHKOEJPK-UOWMXVQPSA-N 1 1 547.614 6.217 50 0 KKAAMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3nc(-c4ccccc4)nc(C)c3Cc3ccc(Cl)cc3)CC2)cc1 ZINC000101347872 554737646 /nfs/dbraw/zinc/73/76/46/554737646.db2.gz UKMWTJZFRMGIPZ-MHZLTWQESA-N 1 1 559.110 5.267 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(c4ccc(C)c(C)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000101350993 554738012 /nfs/dbraw/zinc/73/80/12/554738012.db2.gz FSWHRNRDNANSQX-RJYGDKEGSA-N 1 1 535.644 5.107 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101365489 554743752 /nfs/dbraw/zinc/74/37/52/554743752.db2.gz UPFKAUXWMJDAHU-RMDVPPNSSA-N 1 1 542.035 5.143 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101365489 554743755 /nfs/dbraw/zinc/74/37/55/554743755.db2.gz UPFKAUXWMJDAHU-RMDVPPNSSA-N 1 1 542.035 5.143 50 0 KKAAMO CN1C(=O)/C(=C/c2ccccc2F)Sc2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc21 ZINC000101373599 554745568 /nfs/dbraw/zinc/74/55/68/554745568.db2.gz VLPYUDYMSFBBPP-RRAHZORUSA-N 1 1 548.659 5.017 50 0 KKAAMO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccc(Cl)cc4N4CC[N@@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391663 554755192 /nfs/dbraw/zinc/75/51/92/554755192.db2.gz KDGHVVLSQKCCOI-MVSFAKPFSA-N 1 1 543.067 5.173 50 0 KKAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391801 554755654 /nfs/dbraw/zinc/75/56/54/554755654.db2.gz ZRXMRYXHPCGGLA-PXJZQJOASA-N 1 1 529.482 5.414 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1)Cc1ccccc1 ZINC000101426626 554768900 /nfs/dbraw/zinc/76/89/00/554768900.db2.gz NHYKCGISGBGUNF-LZBRRTOVSA-N 1 1 587.764 7.384 50 0 KKAAMO Cc1ccc(C)c(CN2C(=O)/C(=C/c3ccc(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3)Sc3ccccc32)c1 ZINC000101426637 554768949 /nfs/dbraw/zinc/76/89/49/554768949.db2.gz WUDLOEJYVNAPIR-NHYZDEDTSA-N 1 1 637.249 7.189 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000101492492 554786236 /nfs/dbraw/zinc/78/62/36/554786236.db2.gz VRIRGLHXHWSFLY-AEPSZFNXSA-N 1 1 559.453 5.073 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000101511116 554792880 /nfs/dbraw/zinc/79/28/80/554792880.db2.gz MGEKECNNKOIUAJ-OBWDDDHRSA-N 1 1 559.453 5.073 50 0 KKAAMO CCOc1cc2sc(N3CCC(C(=O)NCC[N@@H+]([C@@H](C)CC)C4CCCCC4)CC3)nc2cc1Br ZINC000101583026 554800971 /nfs/dbraw/zinc/80/09/71/554800971.db2.gz ZYFBZBDHEUZCRW-IBGZPJMESA-N 1 1 565.622 6.223 50 0 KKAAMO CC(C)[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000101602274 554804351 /nfs/dbraw/zinc/80/43/51/554804351.db2.gz WRMFJFZIIJJBEM-CHCBTGSZSA-N 1 1 578.978 5.049 50 0 KKAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101618519 554806656 /nfs/dbraw/zinc/80/66/56/554806656.db2.gz ZMIGMFWBUIHALR-JSOSNVBQSA-N 1 1 556.776 5.296 50 0 KKAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101618522 554806698 /nfs/dbraw/zinc/80/66/98/554806698.db2.gz ZMIGMFWBUIHALR-CONSDPRKSA-N 1 1 556.776 5.296 50 0 KKAAMO CC(=O)c1ccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)Cc5ccc(F)cc5)CC4)n3c2)cc1 ZINC000101620040 554808382 /nfs/dbraw/zinc/80/83/82/554808382.db2.gz IZHSHCBIVFRNMH-UHFFFAOYSA-N 1 1 546.646 5.897 50 0 KKAAMO C[N@@H+](CCCN(Cc1cccn1Cc1ccc(Cl)cc1)C(=S)Nc1cccc(C(F)(F)F)c1)C1CCCCC1 ZINC000101633926 554812477 /nfs/dbraw/zinc/81/24/77/554812477.db2.gz BRPXHMZLWDVQRX-UHFFFAOYSA-N 1 1 577.160 8.062 50 0 KKAAMO CCOc1ccc(/C=C2/Sc3ccc(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3N(C)C2=O)cc1OC ZINC000101637379 554813369 /nfs/dbraw/zinc/81/33/69/554813369.db2.gz MAXDLDDMRMXKEP-NDZAJKAJSA-N 1 1 607.176 5.409 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101670686 554823987 /nfs/dbraw/zinc/82/39/87/554823987.db2.gz XJLVLMXNMVHSMV-KEZOAJOQSA-N 1 1 582.376 5.622 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101670686 554823988 /nfs/dbraw/zinc/82/39/88/554823988.db2.gz XJLVLMXNMVHSMV-KEZOAJOQSA-N 1 1 582.376 5.622 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000101683656 554828922 /nfs/dbraw/zinc/82/89/22/554828922.db2.gz JXXFNIMAYIOZLT-LUGQRUKGSA-N 1 1 539.075 7.027 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000101683656 554828923 /nfs/dbraw/zinc/82/89/23/554828923.db2.gz JXXFNIMAYIOZLT-LUGQRUKGSA-N 1 1 539.075 7.027 50 0 KKAAMO CC(C)(C)CC(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000101729215 554833191 /nfs/dbraw/zinc/83/31/91/554833191.db2.gz WVVXRRCQNVZZBY-UHFFFAOYSA-N 1 1 534.626 6.768 50 0 KKAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000101873746 554845703 /nfs/dbraw/zinc/84/57/03/554845703.db2.gz IAMAYLFUSUVQRQ-QVWWMRLHSA-N 1 1 559.154 6.124 50 0 KKAAMO O=C(CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000101873746 554845704 /nfs/dbraw/zinc/84/57/04/554845704.db2.gz IAMAYLFUSUVQRQ-QVWWMRLHSA-N 1 1 559.154 6.124 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc3c(c2)OCO3)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000101972635 554860548 /nfs/dbraw/zinc/86/05/48/554860548.db2.gz DRGGVTOSZZUARD-XZWHSSHBSA-N 1 1 561.682 5.450 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3c(OC)ccc4ccccc43)C2)cc1 ZINC000102016949 554867165 /nfs/dbraw/zinc/86/71/65/554867165.db2.gz TXHJMMGIVWRCSS-UHSQPCAPSA-N 1 1 552.700 5.556 50 0 KKAAMO COc1cccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)c1OC ZINC000102079637 554875777 /nfs/dbraw/zinc/87/57/77/554875777.db2.gz QDUVGLSMEJDKNU-MUUNZHRXSA-N 1 1 553.703 6.348 50 0 KKAAMO O=C(Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1)c1ccccc1Cl ZINC000102084820 554876220 /nfs/dbraw/zinc/87/62/20/554876220.db2.gz XIBFRZPSRGGJAP-AREMUKBSSA-N 1 1 530.049 6.608 50 0 KKAAMO O=C(Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1)c1ccccc1Cl ZINC000102084820 554876224 /nfs/dbraw/zinc/87/62/24/554876224.db2.gz XIBFRZPSRGGJAP-AREMUKBSSA-N 1 1 530.049 6.608 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000102096589 554879371 /nfs/dbraw/zinc/87/93/71/554879371.db2.gz QKFQMXPGKSLVAP-HSZRJFAPSA-N 1 1 546.476 6.478 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102099010 554880719 /nfs/dbraw/zinc/88/07/19/554880719.db2.gz QDWKNZACXBCBPP-LEAFIULHSA-N 1 1 562.598 7.738 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102100795 554881560 /nfs/dbraw/zinc/88/15/60/554881560.db2.gz YYAVHSIBXLHSPJ-MHZLTWQESA-N 1 1 604.526 6.726 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102100795 554881561 /nfs/dbraw/zinc/88/15/61/554881561.db2.gz YYAVHSIBXLHSPJ-MHZLTWQESA-N 1 1 604.526 6.726 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccco1 ZINC000102100861 554881878 /nfs/dbraw/zinc/88/18/78/554881878.db2.gz DRQPGZKWEHAVDY-AREMUKBSSA-N 1 1 529.618 5.946 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccco1 ZINC000102100861 554881881 /nfs/dbraw/zinc/88/18/81/554881881.db2.gz DRQPGZKWEHAVDY-AREMUKBSSA-N 1 1 529.618 5.946 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000102102963 554882033 /nfs/dbraw/zinc/88/20/33/554882033.db2.gz XFFPCSSFGXLHQG-HKBQPEDESA-N 1 1 604.235 7.088 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)Nc3ccc4c(c3)Nc3ccccc3CC4)[N@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000102160965 554890161 /nfs/dbraw/zinc/89/01/61/554890161.db2.gz JGJKILMQURKFHI-PPTMTGTBSA-N 1 1 553.703 7.050 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)Nc3ccc4c(c3)Nc3ccccc3CC4)[N@@H+](Cc3ccc(F)cc3)C2)cc1 ZINC000102160965 554890163 /nfs/dbraw/zinc/89/01/63/554890163.db2.gz JGJKILMQURKFHI-PPTMTGTBSA-N 1 1 553.703 7.050 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCc3ccccc3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000102174313 554891732 /nfs/dbraw/zinc/89/17/32/554891732.db2.gz SFJCXIYGNKXQLT-LOSJGSFVSA-N 1 1 556.625 5.599 50 0 KKAAMO CC(C)[N@@H+](CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1)Cc1ccccc1 ZINC000102232394 554900291 /nfs/dbraw/zinc/90/02/91/554900291.db2.gz CHSIMEXDAZOJAR-NVMPUMLXSA-N 1 1 563.673 6.433 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102254130 554904290 /nfs/dbraw/zinc/90/42/90/554904290.db2.gz DGBGBNJZXBYKTR-IDISGSTGSA-N 1 1 555.666 5.786 50 0 KKAAMO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1ccc(F)cc1 ZINC000102267864 554905384 /nfs/dbraw/zinc/90/53/84/554905384.db2.gz JMHMAULZIAPIQH-BVAGGSTKSA-N 1 1 530.694 6.311 50 0 KKAAMO CN(Cc1cc2ccccc2s1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1ccc(F)cc1 ZINC000102267864 554905386 /nfs/dbraw/zinc/90/53/86/554905386.db2.gz JMHMAULZIAPIQH-BVAGGSTKSA-N 1 1 530.694 6.311 50 0 KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000102370285 554915937 /nfs/dbraw/zinc/91/59/37/554915937.db2.gz YEKWPWNFSXDCDC-SGDGVZKBSA-N 1 1 556.062 5.450 50 0 KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(OC(C)C)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000102370285 554915938 /nfs/dbraw/zinc/91/59/38/554915938.db2.gz YEKWPWNFSXDCDC-SGDGVZKBSA-N 1 1 556.062 5.450 50 0 KKAAMO COc1ccc(CNC(=O)CC[C@H]2C[N@H+](C(C)C)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(OC)c1 ZINC000102390168 554918717 /nfs/dbraw/zinc/91/87/17/554918717.db2.gz KMTWXCKMRIBAJI-RBJSKKJNSA-N 1 1 576.704 5.040 50 0 KKAAMO Cc1ccc(C)c(C[N@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)c1 ZINC000102453495 554933622 /nfs/dbraw/zinc/93/36/22/554933622.db2.gz LTPAKYDKUIKHIO-UHFFFAOYSA-N 1 1 536.632 5.676 50 0 KKAAMO Cc1ccc(C)c(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2nc(C(=O)NCc3ccc4c(c3)OCO4)co2)c1 ZINC000102453495 554933625 /nfs/dbraw/zinc/93/36/25/554933625.db2.gz LTPAKYDKUIKHIO-UHFFFAOYSA-N 1 1 536.632 5.676 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2C)CC[N@H+](C)C4)cc1 ZINC000102499487 554941824 /nfs/dbraw/zinc/94/18/24/554941824.db2.gz NXDUDKHUPCDETJ-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2C)CC[N@@H+](C)C4)cc1 ZINC000102499487 554941826 /nfs/dbraw/zinc/94/18/26/554941826.db2.gz NXDUDKHUPCDETJ-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499854 554942458 /nfs/dbraw/zinc/94/24/58/554942458.db2.gz QTDFGVIWYKQRRI-VWLOTQADSA-N 1 1 525.024 6.595 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2F)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499854 554942460 /nfs/dbraw/zinc/94/24/60/554942460.db2.gz QTDFGVIWYKQRRI-VWLOTQADSA-N 1 1 525.024 6.595 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)cc1OC ZINC000102500248 554942802 /nfs/dbraw/zinc/94/28/02/554942802.db2.gz SFDYHSAPOUYEET-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)cc1OC ZINC000102500248 554942804 /nfs/dbraw/zinc/94/28/04/554942804.db2.gz SFDYHSAPOUYEET-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO CC[C@H]1C(=O)C(C(c2ccc(OC)c(C[NH+]3CCCCC3)c2)C2C(=O)NC(=S)[C@@H](CC)C2=O)C(=O)NC1=S ZINC000102505112 554944351 /nfs/dbraw/zinc/94/43/51/554944351.db2.gz ULPAHMXLWFESAI-ROUUACIJSA-N 1 1 557.738 5.178 50 0 KKAAMO COc1ccc([C@@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000102512198 554946734 /nfs/dbraw/zinc/94/67/34/554946734.db2.gz WMPQAORGZVONAJ-NHKHRBQYSA-N 1 1 590.518 5.741 50 0 KKAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102664263 555001125 /nfs/dbraw/zinc/00/11/25/555001125.db2.gz DEXFPUZLJYSAEO-YUUFSVGYSA-N 1 1 527.624 5.417 50 0 KKAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3cc4ccccc4o3)c3c(c2OC)OCO3)CC[N@H+]1C ZINC000102703416 555013601 /nfs/dbraw/zinc/01/36/01/555013601.db2.gz SOSGBAJUTXIFPR-RPBOFIJWSA-N 1 1 529.545 5.295 50 0 KKAAMO COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@H]1c2c(c(-c3cc4ccccc4o3)c3c(c2OC)OCO3)CC[N@@H+]1C ZINC000102703416 555013603 /nfs/dbraw/zinc/01/36/03/555013603.db2.gz SOSGBAJUTXIFPR-RPBOFIJWSA-N 1 1 529.545 5.295 50 0 KKAAMO Cc1cccc(CN2c3cc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102720019 555019868 /nfs/dbraw/zinc/01/98/68/555019868.db2.gz ABKKAJMGWBGMKT-KLEGGGPYSA-N 1 1 553.772 6.773 50 0 KKAAMO COc1ccccc1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000102758984 555050951 /nfs/dbraw/zinc/05/09/51/555050951.db2.gz MMEYXJWKMMSECQ-RRPNLBNLSA-N 1 1 525.624 5.381 50 0 KKAAMO Cc1cccc(CN2c3cc(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102791615 555069271 /nfs/dbraw/zinc/06/92/71/555069271.db2.gz UMYHAAGYTFKFNZ-HDPQNNAUSA-N 1 1 553.772 7.058 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000102791926 555069286 /nfs/dbraw/zinc/06/92/86/555069286.db2.gz MACYPRSWFHEMQG-TZGBDOIBSA-N 1 1 553.772 7.059 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000102839027 555080466 /nfs/dbraw/zinc/08/04/66/555080466.db2.gz DAWQZRHKWHKFCM-NFQMXDRXSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000102839027 555080469 /nfs/dbraw/zinc/08/04/69/555080469.db2.gz DAWQZRHKWHKFCM-NFQMXDRXSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@H](C)C2)cc1 ZINC000102839262 555080637 /nfs/dbraw/zinc/08/06/37/555080637.db2.gz SPPIQBDUWZMYLC-NFQMXDRXSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@H](C)C2)cc1 ZINC000102839262 555080640 /nfs/dbraw/zinc/08/06/40/555080640.db2.gz SPPIQBDUWZMYLC-NFQMXDRXSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102842273 555082672 /nfs/dbraw/zinc/08/26/72/555082672.db2.gz GUVZXHYANLFRBZ-AREMUKBSSA-N 1 1 528.505 5.295 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102842273 555082673 /nfs/dbraw/zinc/08/26/73/555082673.db2.gz GUVZXHYANLFRBZ-AREMUKBSSA-N 1 1 528.505 5.295 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102842401 555082883 /nfs/dbraw/zinc/08/28/83/555082883.db2.gz GPFKCXIRATZJRU-HHHXNRCGSA-N 1 1 542.532 5.686 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102842401 555082886 /nfs/dbraw/zinc/08/28/86/555082886.db2.gz GPFKCXIRATZJRU-HHHXNRCGSA-N 1 1 542.532 5.686 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102843908 555084129 /nfs/dbraw/zinc/08/41/29/555084129.db2.gz NYUDNNDZEZYLFM-MYUZEXMDSA-N 1 1 560.522 5.905 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000102888322 555121469 /nfs/dbraw/zinc/12/14/69/555121469.db2.gz DRIHSNFSDAAMGQ-HFLBTKGNSA-N 1 1 553.540 6.013 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000102888322 555121470 /nfs/dbraw/zinc/12/14/70/555121470.db2.gz DRIHSNFSDAAMGQ-HFLBTKGNSA-N 1 1 553.540 6.013 50 0 KKAAMO CN1c2ccccc2C(C)(C)/C1=C1\C=NN(c2ccccc2)[P@]1(=Nc1cccc2ccccc21)N1CC[NH+](C)CC1 ZINC000102942373 555170514 /nfs/dbraw/zinc/17/05/14/555170514.db2.gz RKVZFDKPIUUHSG-LXYHMQPMSA-N 1 1 560.686 7.895 50 0 KKAAMO CC(C)N(CC(=O)Nc1nc(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cs1)C(=O)c1ccccc1 ZINC000103022556 555213607 /nfs/dbraw/zinc/21/36/07/555213607.db2.gz WHDPULSZNIXFDC-UHFFFAOYSA-N 1 1 595.769 5.109 50 0 KKAAMO O=C(c1cc(-c2cccc3ccccc32)nc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103035427 555222609 /nfs/dbraw/zinc/22/26/09/555222609.db2.gz ZEOHFXWBDWEYAY-UHFFFAOYSA-N 1 1 533.675 7.602 50 0 KKAAMO CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(CC(=O)N3CC[NH+](C)CC3)=CSC2=N1 ZINC000103050008 555232155 /nfs/dbraw/zinc/23/21/55/555232155.db2.gz WEXKDARZBPIBLO-MUUNZHRXSA-N 1 1 546.693 5.170 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@H](O)COCc1ccccc1 ZINC000103050374 555232716 /nfs/dbraw/zinc/23/27/16/555232716.db2.gz UTPIQTYFRDVFDJ-VWLOTQADSA-N 1 1 536.072 5.559 50 0 KKAAMO Cc1ccc(C)c(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C2CC2)c1 ZINC000103086303 555264970 /nfs/dbraw/zinc/26/49/70/555264970.db2.gz FSAOBQLSQDAJBT-UHFFFAOYSA-N 1 1 534.531 7.327 50 0 KKAAMO COc1cccc(Cc2nsc(Oc3cccc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3)n2)c1 ZINC000103118435 555289126 /nfs/dbraw/zinc/28/91/26/555289126.db2.gz YSWMGFDDBFLFDB-UHFFFAOYSA-N 1 1 576.722 6.477 50 0 KKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1)c1cccc2c(Br)cccc12 ZINC000103148484 555315128 /nfs/dbraw/zinc/31/51/28/555315128.db2.gz ITGQHFKRRAYGAI-UHFFFAOYSA-N 1 1 534.885 6.830 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1 ZINC000103176412 555327398 /nfs/dbraw/zinc/32/73/98/555327398.db2.gz OMTUQBZKIPMJMO-PMERELPUSA-N 1 1 555.763 6.189 50 0 KKAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cn3)CC2)c(OC)c1OC ZINC000103339989 555361546 /nfs/dbraw/zinc/36/15/46/555361546.db2.gz IKBDAJITXDSBNB-UHFFFAOYSA-N 1 1 559.589 5.483 50 0 KKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000103363022 555365223 /nfs/dbraw/zinc/36/52/23/555365223.db2.gz HNWYPQMPLZHZNV-RBBQXQBVSA-N 1 1 590.809 7.236 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000103363259 555365300 /nfs/dbraw/zinc/36/53/00/555365300.db2.gz KIKISGOANDWTGW-PPHZAIPVSA-N 1 1 541.092 5.643 50 0 KKAAMO O=C(C1CCCC1)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000103398280 555384888 /nfs/dbraw/zinc/38/48/88/555384888.db2.gz JZRARTWEDSAYEQ-UHFFFAOYSA-N 1 1 532.610 6.522 50 0 KKAAMO Cc1ccc(C)c(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)Nc5c(C)cccc5C)CC4)n3c2)c1 ZINC000103398481 555385263 /nfs/dbraw/zinc/38/52/63/555385263.db2.gz JLCDTJOKTAIHKN-UHFFFAOYSA-N 1 1 543.715 7.252 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000103405497 555391836 /nfs/dbraw/zinc/39/18/36/555391836.db2.gz CSTFUZXEARCNQU-XTEPFMGCSA-N 1 1 549.900 5.759 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccc(C)c(C)c4)cnn(-c4cccc(Cl)c4)c3=O)c2)CC1 ZINC000103408338 555393776 /nfs/dbraw/zinc/39/37/76/555393776.db2.gz BVWIXEVWKOMBHH-UHFFFAOYSA-N 1 1 558.082 5.816 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000103416254 555397749 /nfs/dbraw/zinc/39/77/49/555397749.db2.gz RXOMNYOWLAEKSC-MGBGTMOVSA-N 1 1 596.146 7.961 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000103419264 555399569 /nfs/dbraw/zinc/39/95/69/555399569.db2.gz KLINCHZVHSBHHF-UUWRZZSWSA-N 1 1 601.791 7.272 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@]3=O)C1 ZINC000103630409 555459844 /nfs/dbraw/zinc/45/98/44/555459844.db2.gz QTPIRISVPQRERJ-UHIXBXOBSA-N 1 1 547.696 5.251 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@]3=O)C1 ZINC000104797776 562825131 /nfs/dbraw/zinc/82/51/31/562825131.db2.gz JONCTUOIKOGBBK-UHIXBXOBSA-N 1 1 564.151 5.765 50 0 KKAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(OC)cc1 ZINC000230067013 562881060 /nfs/dbraw/zinc/88/10/60/562881060.db2.gz CBKPNMDLZXYGLC-IHLOFXLRSA-N 1 1 531.672 5.553 50 0 KKAAMO COc1ccc(OC)c2c1cc1n2C[C@](C)(C(=O)NC2CCCCCC2)N(CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1=O ZINC000104776073 571385988 /nfs/dbraw/zinc/38/59/88/571385988.db2.gz ZFVJONGWMAEUMW-MEYXWREJSA-N 1 1 552.760 5.080 50 0 KKAAMO O[C@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983344 571388725 /nfs/dbraw/zinc/38/87/25/571388725.db2.gz QCJNAHJYVVTTGL-JTHBVZDNSA-N 1 1 519.856 6.082 50 0 KKAAMO O[C@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983344 571388726 /nfs/dbraw/zinc/38/87/26/571388726.db2.gz QCJNAHJYVVTTGL-JTHBVZDNSA-N 1 1 519.856 6.082 50 0 KKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983128 571388728 /nfs/dbraw/zinc/38/87/28/571388728.db2.gz LVSXRMMZNVYCJR-IZZNHLLZSA-N 1 1 516.535 5.417 50 0 KKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984712 571388766 /nfs/dbraw/zinc/38/87/66/571388766.db2.gz OGYHAFLRQKSIBR-DNQXCXABSA-N 1 1 533.883 6.220 50 0 KKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983132 571388799 /nfs/dbraw/zinc/38/87/99/571388799.db2.gz LVSXRMMZNVYCJR-CLJLJLNGSA-N 1 1 516.535 5.417 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000105060703 571390721 /nfs/dbraw/zinc/39/07/21/571390721.db2.gz LYTUNMVFZHHQPS-IBVKSMDESA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000105060452 571390840 /nfs/dbraw/zinc/39/08/40/571390840.db2.gz DGBGBNJZXBYKTR-ZBLYBZFDSA-N 1 1 555.666 5.786 50 0 KKAAMO Clc1ccc2c(c1)C[C@H](S[C@H](CCN1CC[NH+](Cc3ccccc3)CC1)c1ccccc1)c1ccccc1S2 ZINC000108800593 571426583 /nfs/dbraw/zinc/42/65/83/571426583.db2.gz FRNBINOLPGJIEE-CWTKIQHKSA-N 1 1 571.255 8.771 50 0 KKAAMO CCOC(=O)c1c(C)n(C[C@H](O)C[N@@H+]2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)c2cc(Br)c(OC)cc21 ZINC000135668860 571448802 /nfs/dbraw/zinc/44/88/02/571448802.db2.gz UQIRMWXTOWCMDV-IBVKSMDESA-N 1 1 594.550 5.915 50 0 KKAAMO CCOC(=O)c1c(C)n(C[C@H](O)C[N@H+]2CCn3c4ccc(C)cc4c4c3[C@@H]2CCC4)c2cc(Br)c(OC)cc21 ZINC000135668860 571448803 /nfs/dbraw/zinc/44/88/03/571448803.db2.gz UQIRMWXTOWCMDV-IBVKSMDESA-N 1 1 594.550 5.915 50 0 KKAAMO COc1c(I)cc(I)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000150397959 571477076 /nfs/dbraw/zinc/47/70/76/571477076.db2.gz DRFXUMNXYSTFAV-OAQYLSRUSA-N 1 1 657.315 5.378 50 0 KKAAMO COc1c(I)cc(I)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000150397959 571477077 /nfs/dbraw/zinc/47/70/77/571477077.db2.gz DRFXUMNXYSTFAV-OAQYLSRUSA-N 1 1 657.315 5.378 50 0 KKAAMO O[C@H](COc1ccc2ccccc2c1Br)CN1CC[NH+](C[C@H](O)COc2ccc3ccccc3c2Br)CC1 ZINC000150431888 571493854 /nfs/dbraw/zinc/49/38/54/571493854.db2.gz DLSUCJPJRBNERY-ZEQRLZLVSA-N 1 1 644.404 5.315 50 0 KKAAMO COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000169676046 571554507 /nfs/dbraw/zinc/55/45/07/571554507.db2.gz BDKBPVWBEDYCAV-ZVEKDXPYSA-N 1 1 541.648 5.001 50 0 KKAAMO COc1ccc([C@@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1C ZINC000169676046 571554510 /nfs/dbraw/zinc/55/45/10/571554510.db2.gz BDKBPVWBEDYCAV-ZVEKDXPYSA-N 1 1 541.648 5.001 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COc1ccccc1)C[C@@H]1CCCO1 ZINC000169677660 571555072 /nfs/dbraw/zinc/55/50/72/571555072.db2.gz DWAXCDXZFAGKQZ-VPUSJEBWSA-N 1 1 545.655 5.787 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C[C@@H]1CCCO1 ZINC000169677660 571555074 /nfs/dbraw/zinc/55/50/74/571555074.db2.gz DWAXCDXZFAGKQZ-VPUSJEBWSA-N 1 1 545.655 5.787 50 0 KKAAMO COc1cccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCc4ccccc4)C[C@@H]23)c1 ZINC000169679071 571556318 /nfs/dbraw/zinc/55/63/18/571556318.db2.gz YAFRJORLWKGUDR-BDYUSTAISA-N 1 1 509.572 5.258 50 0 KKAAMO O=C(NC[C@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@@H](c2ccccc2)[N@H+](Cc2ccccc2)CC3)o1 ZINC000169679950 571556747 /nfs/dbraw/zinc/55/67/47/571556747.db2.gz CXPHXTMJGUBBCI-AKGWNBJDSA-N 1 1 522.645 5.915 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccccc3Cl)[C@@H](C)C2)cc1 ZINC000169680885 571557302 /nfs/dbraw/zinc/55/73/02/571557302.db2.gz MOXXCNGBANLRTH-CCLHPLFOSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccccc3Cl)[C@@H](C)C2)cc1 ZINC000169680885 571557304 /nfs/dbraw/zinc/55/73/04/571557304.db2.gz MOXXCNGBANLRTH-CCLHPLFOSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000169681002 571557501 /nfs/dbraw/zinc/55/75/01/571557501.db2.gz XMMDSCAWMHZESU-CCLHPLFOSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000169681002 571557504 /nfs/dbraw/zinc/55/75/04/571557504.db2.gz XMMDSCAWMHZESU-CCLHPLFOSA-N 1 1 508.087 5.031 50 0 KKAAMO O=C(NCc1cccc(F)c1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681812 571557766 /nfs/dbraw/zinc/55/77/66/571557766.db2.gz PCRSEICAIJDUFM-RSXGOPAZSA-N 1 1 515.526 5.163 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)c1ccccc1)[C@@H](c1ccc(F)cc1)C[N@H+]2C ZINC000169700872 571559101 /nfs/dbraw/zinc/55/91/01/571559101.db2.gz MCPWGYMZINJRRH-JUQKIHQQSA-N 1 1 504.605 6.105 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)c1ccccc1)[C@@H](c1ccc(F)cc1)C[N@@H+]2C ZINC000169700872 571559103 /nfs/dbraw/zinc/55/91/03/571559103.db2.gz MCPWGYMZINJRRH-JUQKIHQQSA-N 1 1 504.605 6.105 50 0 KKAAMO O=C(COc1ccc(-c2ncccn2)cc1C[N@H+]1CCc2ccccc2C1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000299781936 572136392 /nfs/dbraw/zinc/13/63/92/572136392.db2.gz VDKPDWXMGHWMQB-HHHXNRCGSA-N 1 1 532.688 5.877 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077493 572182682 /nfs/dbraw/zinc/18/26/82/572182682.db2.gz DXMUYWPFNJFQFJ-KYJUHHDHSA-N 1 1 529.750 6.388 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077222 572182996 /nfs/dbraw/zinc/18/29/96/572182996.db2.gz GJBGVNWKVVQVRR-VMPREFPWSA-N 1 1 515.723 6.000 50 0 KKAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@H]1[C@@H]3C[C@H]4[C@@H](CC(=O)[C@H]5C[C@@H](OC(=O)c6ccco6)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000239174499 572191883 /nfs/dbraw/zinc/19/18/83/572191883.db2.gz QDRWJGGEHHAYQU-GXCYQLGXSA-N 1 1 523.714 5.344 50 0 KKAAMO COc1ccc([C@H](C)[N@@H+](C[C@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H](O)CO[C@H]2CCCc3ccccc32)cc1F ZINC000245224677 572202438 /nfs/dbraw/zinc/20/24/38/572202438.db2.gz BGILIDOZSPNEAV-HLFUORHDSA-N 1 1 577.737 6.108 50 0 KKAAMO COc1cccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)c1 ZINC000245279544 572224132 /nfs/dbraw/zinc/22/41/32/572224132.db2.gz HTKFHQOSJUXRMI-ZEQKJWHPSA-N 1 1 523.674 5.045 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000245280890 572224683 /nfs/dbraw/zinc/22/46/83/572224683.db2.gz VNPGJEJJZUPQCE-DNQXCXABSA-N 1 1 529.628 5.408 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000245280890 572224689 /nfs/dbraw/zinc/22/46/89/572224689.db2.gz VNPGJEJJZUPQCE-DNQXCXABSA-N 1 1 529.628 5.408 50 0 KKAAMO Cc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000245289979 572226285 /nfs/dbraw/zinc/22/62/85/572226285.db2.gz GLOXOEOMNNNGES-QDPGVEIFSA-N 1 1 501.696 5.076 50 0 KKAAMO CCCCOC[C@@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245328800 572235218 /nfs/dbraw/zinc/23/52/18/572235218.db2.gz PSLGIHCJIOLPNM-AHKZPQOWSA-N 1 1 507.675 5.386 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245328800 572235219 /nfs/dbraw/zinc/23/52/19/572235219.db2.gz PSLGIHCJIOLPNM-AHKZPQOWSA-N 1 1 507.675 5.386 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245329981 572236113 /nfs/dbraw/zinc/23/61/13/572236113.db2.gz WARVGSLSCXFBEQ-XNMGPUDCSA-N 1 1 525.665 5.525 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245329981 572236115 /nfs/dbraw/zinc/23/61/15/572236115.db2.gz WARVGSLSCXFBEQ-XNMGPUDCSA-N 1 1 525.665 5.525 50 0 KKAAMO Cc1ccc([C@@H]2C[N@@H+](C)[C@@]3(c4ccccc4N(Cc4cccc(Cl)c4)C3=O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000245343072 572237431 /nfs/dbraw/zinc/23/74/31/572237431.db2.gz DJLWVDRRJGUMIB-YBAOVTMCSA-N 1 1 521.060 6.619 50 0 KKAAMO Cc1ccc([C@@H]2C[N@H+](C)[C@@]3(c4ccccc4N(Cc4cccc(Cl)c4)C3=O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000245343072 572237433 /nfs/dbraw/zinc/23/74/33/572237433.db2.gz DJLWVDRRJGUMIB-YBAOVTMCSA-N 1 1 521.060 6.619 50 0 KKAAMO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247490911 572242524 /nfs/dbraw/zinc/24/25/24/572242524.db2.gz MMMBVLQYOTVKMC-SFHVURJKSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247494805 572242531 /nfs/dbraw/zinc/24/25/31/572242531.db2.gz NUTOGOBFQCCGMH-KRWDZBQOSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247497206 572242965 /nfs/dbraw/zinc/24/29/65/572242965.db2.gz OMBSXYPKODNNSD-UHFFFAOYSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247725602 572243691 /nfs/dbraw/zinc/24/36/91/572243691.db2.gz DFAIJVICVRTTAU-GOSISDBHSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247722630 572243724 /nfs/dbraw/zinc/24/37/24/572243724.db2.gz BPIYIYGVFWSNSR-KRWDZBQOSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247742915 572243983 /nfs/dbraw/zinc/24/39/83/572243983.db2.gz OQWUEGVNMXVFDH-UHFFFAOYSA-N 1 1 565.117 7.168 50 0 KKAAMO O=C(Nc1cccc(Cl)c1Cl)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247737793 572244202 /nfs/dbraw/zinc/24/42/02/572244202.db2.gz LUTHIHNALUVJFR-UHFFFAOYSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247747089 572244441 /nfs/dbraw/zinc/24/44/41/572244441.db2.gz RRMLZVVZCDLPFN-UHFFFAOYSA-N 1 1 557.414 6.658 50 0 KKAAMO O=C(Nc1ccc(F)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247757119 572244757 /nfs/dbraw/zinc/24/47/57/572244757.db2.gz XYCWWDFFYKGRHQ-SFHVURJKSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(c1ccc(Cl)cc1Cl)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000247796378 572244954 /nfs/dbraw/zinc/24/49/54/572244954.db2.gz CSIMTVVBXVMUPW-UHFFFAOYSA-N 1 1 594.518 5.668 50 0 KKAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000247842373 572245880 /nfs/dbraw/zinc/24/58/80/572245880.db2.gz QRJFSCJTYDLBIC-JJUMQRNRSA-N 1 1 576.878 5.426 50 0 KKAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000247842373 572245882 /nfs/dbraw/zinc/24/58/82/572245882.db2.gz QRJFSCJTYDLBIC-JJUMQRNRSA-N 1 1 576.878 5.426 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@]23C(=O)Nc2ccccc23)c1 ZINC000247842098 572245955 /nfs/dbraw/zinc/24/59/55/572245955.db2.gz QKYXNOPQBNBDEM-NWDGNEFISA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3ccc(Cl)c4C)[C@]23C(=O)Nc2ccccc23)c1 ZINC000247842098 572245957 /nfs/dbraw/zinc/24/59/57/572245957.db2.gz QKYXNOPQBNBDEM-NWDGNEFISA-N 1 1 556.062 5.452 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247840816 572246012 /nfs/dbraw/zinc/24/60/12/572246012.db2.gz FJVUTYANCLFBOR-QHCPKHFHSA-N 1 1 564.080 5.577 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247847180 572246290 /nfs/dbraw/zinc/24/62/90/572246290.db2.gz HJMDVTOCDGYVQQ-QFIPXVFZSA-N 1 1 626.521 6.368 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247851067 572246309 /nfs/dbraw/zinc/24/63/09/572246309.db2.gz IRNOTFKIXGHSHN-JOCHJYFZSA-N 1 1 532.063 5.379 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(C)cc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247860854 572246594 /nfs/dbraw/zinc/24/65/94/572246594.db2.gz GAXQRHMKVHAPHF-MUUNZHRXSA-N 1 1 551.735 5.271 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247864526 572246803 /nfs/dbraw/zinc/24/68/03/572246803.db2.gz NZCXCVFOHKFAFN-VWLOTQADSA-N 1 1 572.551 5.344 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247861551 572246810 /nfs/dbraw/zinc/24/68/10/572246810.db2.gz MVMFKZXBAIUCFG-RUZDIDTESA-N 1 1 572.551 5.344 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247861553 572246845 /nfs/dbraw/zinc/24/68/45/572246845.db2.gz MVMFKZXBAIUCFG-VWLOTQADSA-N 1 1 572.551 5.344 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5cc(C)ccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247864950 572246861 /nfs/dbraw/zinc/24/68/61/572246861.db2.gz IEMRVUHGKNSWMP-NDEPHWFRSA-N 1 1 551.735 5.271 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c(C)c1 ZINC000247872087 572247066 /nfs/dbraw/zinc/24/70/66/572247066.db2.gz LNJGRHUKNVXOOG-VWLOTQADSA-N 1 1 586.578 5.966 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247870097 572247200 /nfs/dbraw/zinc/24/72/00/572247200.db2.gz QIBNJGTUTNXQHB-XMMPIXPASA-N 1 1 596.097 6.318 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5cccc(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247871475 572247224 /nfs/dbraw/zinc/24/72/24/572247224.db2.gz DNEXBIXDLRPVID-RUZDIDTESA-N 1 1 558.126 5.307 50 0 KKAAMO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000247881016 572247738 /nfs/dbraw/zinc/24/77/38/572247738.db2.gz RDFDXHVNHQLXEE-VWLOTQADSA-N 1 1 586.578 5.966 50 0 KKAAMO Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247877318 572247894 /nfs/dbraw/zinc/24/78/94/572247894.db2.gz PMCYWPUHFDUGMA-RUZDIDTESA-N 1 1 586.578 5.966 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247879043 572248105 /nfs/dbraw/zinc/24/81/05/572248105.db2.gz VBTOWVZIGGQYLA-XMMPIXPASA-N 1 1 577.611 7.494 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)NCc4ccc(Cl)cc4)CC3)nc3ccccc32)cc1 ZINC000247893455 572248746 /nfs/dbraw/zinc/24/87/46/572248746.db2.gz NNKOVZINHXIQKY-UHFFFAOYSA-N 1 1 503.046 5.275 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247891080 572248778 /nfs/dbraw/zinc/24/87/78/572248778.db2.gz YNPXNQVDFCZGSR-UHFFFAOYSA-N 1 1 610.959 6.141 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(C(c5ccccc5)c5ccccc5)CC4)C3)nc3ccccc32)cc1 ZINC000247894694 572248793 /nfs/dbraw/zinc/24/87/93/572248793.db2.gz OCURNWWJNVRTRC-MGBGTMOVSA-N 1 1 613.806 6.239 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4Cl)C3)nc3ccccc32)cc1 ZINC000247899892 572249010 /nfs/dbraw/zinc/24/90/10/572249010.db2.gz QBXWLWRDZNKWLM-HXUWFJFHSA-N 1 1 523.464 6.251 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)cc4Cl)C3)nc3ccccc32)cc1 ZINC000247899892 572249012 /nfs/dbraw/zinc/24/90/12/572249012.db2.gz QBXWLWRDZNKWLM-HXUWFJFHSA-N 1 1 523.464 6.251 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c(C)c1 ZINC000247899969 572249030 /nfs/dbraw/zinc/24/90/30/572249030.db2.gz YYXBDPLOLUMWHF-VWLOTQADSA-N 1 1 586.578 5.966 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccccc5C(F)(F)F)CC4)CC3)nc3ccccc32)cc1 ZINC000247915156 572249268 /nfs/dbraw/zinc/24/92/68/572249268.db2.gz VVQWDFWPQZBWLP-UHFFFAOYSA-N 1 1 591.678 5.673 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)nc3ccccc32)cc1 ZINC000247922793 572249524 /nfs/dbraw/zinc/24/95/24/572249524.db2.gz YHKCJHKLWONJAB-FQEVSTJZSA-N 1 1 507.009 5.736 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)nc3ccccc32)cc1 ZINC000247922793 572249526 /nfs/dbraw/zinc/24/95/26/572249526.db2.gz YHKCJHKLWONJAB-FQEVSTJZSA-N 1 1 507.009 5.736 50 0 KKAAMO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247949122 572250280 /nfs/dbraw/zinc/25/02/80/572250280.db2.gz RXMINRKATVJMAS-NRFANRHFSA-N 1 1 655.424 6.291 50 0 KKAAMO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247941993 572250308 /nfs/dbraw/zinc/25/03/08/572250308.db2.gz QAAGOHJOPWRVKK-DEOSSOPVSA-N 1 1 590.555 5.588 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)C1 ZINC000247970116 572251266 /nfs/dbraw/zinc/25/12/66/572251266.db2.gz CVDAHIXCSIKBCL-NRFANRHFSA-N 1 1 513.608 5.197 50 0 KKAAMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)cc1 ZINC000247998244 572251556 /nfs/dbraw/zinc/25/15/56/572251556.db2.gz RCJBGIAJLYHSFP-UHFFFAOYSA-N 1 1 503.444 5.947 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1 ZINC000247998959 572251969 /nfs/dbraw/zinc/25/19/69/572251969.db2.gz NDNVCMRYNPLFQZ-UHFFFAOYSA-N 1 1 513.608 5.197 50 0 KKAAMO CCCCN(CCC)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248025741 572252645 /nfs/dbraw/zinc/25/26/45/572252645.db2.gz WBYNSQPNMALRTQ-NRFANRHFSA-N 1 1 511.508 6.039 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248070505 572253152 /nfs/dbraw/zinc/25/31/52/572253152.db2.gz GSFVNNWWCSFKHF-SUYBVONHSA-N 1 1 552.656 7.844 50 0 KKAAMO CC[C@H](C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248084254 572253274 /nfs/dbraw/zinc/25/32/74/572253274.db2.gz KJVJFTYMPTXSBF-SETSBSEESA-N 1 1 515.723 5.259 50 0 KKAAMO Cc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000248103043 572253647 /nfs/dbraw/zinc/25/36/47/572253647.db2.gz KJKJIKMDBTUDIO-UHFFFAOYSA-N 1 1 511.645 5.034 50 0 KKAAMO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000248116453 572253903 /nfs/dbraw/zinc/25/39/03/572253903.db2.gz BFWGPDMABSONSU-UHFFFAOYSA-N 1 1 588.550 5.357 50 0 KKAAMO Cc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000248115234 572253961 /nfs/dbraw/zinc/25/39/61/572253961.db2.gz PHMGBHOEHZZXPT-UHFFFAOYSA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248117458 572254120 /nfs/dbraw/zinc/25/41/20/572254120.db2.gz VZINKNLPTWCSJS-FREGXXQWSA-N 1 1 519.104 7.478 50 0 KKAAMO COc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000248140688 572255243 /nfs/dbraw/zinc/25/52/43/572255243.db2.gz PUKLYKFPAPHFDD-JXFTZBDYSA-N 1 1 556.618 5.686 50 0 KKAAMO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248145119 572255376 /nfs/dbraw/zinc/25/53/76/572255376.db2.gz SCYMZWGCVQESMG-VWLOTQADSA-N 1 1 558.126 5.307 50 0 KKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccccc3OC)C[C@H]2CN(Cc2ccccc2)C(=O)C2CCCC2)c1 ZINC000248154744 572255786 /nfs/dbraw/zinc/25/57/86/572255786.db2.gz YGUOXEUPVQIVIQ-SMCANUKXSA-N 1 1 512.694 6.138 50 0 KKAAMO Cc1ccccc1CNC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000248156079 572255941 /nfs/dbraw/zinc/25/59/41/572255941.db2.gz MCYVHGPYLGKYRD-UHFFFAOYSA-N 1 1 517.471 5.625 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1C ZINC000248172614 572256261 /nfs/dbraw/zinc/25/62/61/572256261.db2.gz XEKMMOJCSBWSIR-VWLOTQADSA-N 1 1 525.672 5.342 50 0 KKAAMO COc1cc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000248250202 572257113 /nfs/dbraw/zinc/25/71/13/572257113.db2.gz IPGGCZWBQGQORS-IKOFWZASSA-N 1 1 566.654 5.426 50 0 KKAAMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262276 572257520 /nfs/dbraw/zinc/25/75/20/572257520.db2.gz RCSJLSWMZMUQPD-IRLDBZIGSA-N 1 1 517.471 5.877 50 0 KKAAMO CCCCN(CCCC)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248270725 572257602 /nfs/dbraw/zinc/25/76/02/572257602.db2.gz ZJQPMHDIWJAZIW-QFIPXVFZSA-N 1 1 525.535 6.429 50 0 KKAAMO CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)CC1 ZINC000252014932 572259837 /nfs/dbraw/zinc/25/98/37/572259837.db2.gz VCHGAFODUWOKBJ-NDEPHWFRSA-N 1 1 551.735 5.216 50 0 KKAAMO CCc1cccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)c1 ZINC000252014391 572259843 /nfs/dbraw/zinc/25/98/43/572259843.db2.gz UUYDEYGKTDWKCC-UHFFFAOYSA-N 1 1 517.471 6.201 50 0 KKAAMO CCCc1ccccc1NC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000252157704 572259906 /nfs/dbraw/zinc/25/99/06/572259906.db2.gz HLOLQXLYHLEKOA-XMMPIXPASA-N 1 1 501.074 6.541 50 0 KKAAMO CCCc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000252157704 572259907 /nfs/dbraw/zinc/25/99/07/572259907.db2.gz HLOLQXLYHLEKOA-XMMPIXPASA-N 1 1 501.074 6.541 50 0 KKAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]45C)[C@H]3CC[C@H]1[C@]2(C)O ZINC000252428374 572260546 /nfs/dbraw/zinc/26/05/46/572260546.db2.gz AQGKXMYBXMXQKH-BESUOHCNSA-N 1 1 533.753 5.751 50 0 KKAAMO CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000252517826 572262266 /nfs/dbraw/zinc/26/22/66/572262266.db2.gz SLSLNGFHWOQONH-FUABUCQOSA-N 1 1 544.676 6.682 50 0 KKAAMO CCC[N@H+]1C/C(=C/c2ccc(Cl)cc2Cl)C2=NN(/C(C)=C/C(=O)OCC)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000252622251 572269706 /nfs/dbraw/zinc/26/97/06/572269706.db2.gz NRGWOWIAOKFREM-MWWNNOBOSA-N 1 1 581.371 7.905 50 0 KKAAMO CCC[N@@H+]1C/C(=C/c2ccc(Cl)cc2Cl)C2=NN(/C(C)=C/C(=O)OCC)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000252622251 572269708 /nfs/dbraw/zinc/26/97/08/572269708.db2.gz NRGWOWIAOKFREM-MWWNNOBOSA-N 1 1 581.371 7.905 50 0 KKAAMO CCC[N@H+]1C/C(=C/c2ccc(Cl)cc2Cl)C2=NN(/C(C)=C\C(=O)OCC)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000252622250 572269764 /nfs/dbraw/zinc/26/97/64/572269764.db2.gz NRGWOWIAOKFREM-JKHWDADASA-N 1 1 581.371 7.905 50 0 KKAAMO CCC[N@@H+]1C/C(=C/c2ccc(Cl)cc2Cl)C2=NN(/C(C)=C\C(=O)OCC)[C@H](c3ccc(Cl)cc3Cl)[C@@H]2C1 ZINC000252622250 572269765 /nfs/dbraw/zinc/26/97/65/572269765.db2.gz NRGWOWIAOKFREM-JKHWDADASA-N 1 1 581.371 7.905 50 0 KKAAMO CC(C)Oc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000253373743 572282198 /nfs/dbraw/zinc/28/21/98/572282198.db2.gz JZSUNOCFUSEVEY-FUABUCQOSA-N 1 1 560.675 6.517 50 0 KKAAMO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)c(C)c1 ZINC000253388973 572283141 /nfs/dbraw/zinc/28/31/41/572283141.db2.gz KUGOJTZHVXDPIL-MUAVYFROSA-N 1 1 569.768 5.072 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000253389020 572283209 /nfs/dbraw/zinc/28/32/09/572283209.db2.gz YLZIQSUTTBYZCN-WVXBCFDCSA-N 1 1 515.723 5.411 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000253389020 572283211 /nfs/dbraw/zinc/28/32/11/572283211.db2.gz YLZIQSUTTBYZCN-WVXBCFDCSA-N 1 1 515.723 5.411 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000253607294 572301003 /nfs/dbraw/zinc/30/10/03/572301003.db2.gz JFTFMJBDKCHXTK-GDLZYMKVSA-N 1 1 565.762 5.607 50 0 KKAAMO CC(C)c1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000253607601 572301053 /nfs/dbraw/zinc/30/10/53/572301053.db2.gz ZDYVIJNYFJAFTP-MHZLTWQESA-N 1 1 570.181 6.422 50 0 KKAAMO CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@@H]3[C@H]2c2ccc(Cl)cc2)C1 ZINC000254750540 572303409 /nfs/dbraw/zinc/30/34/09/572303409.db2.gz CMCLTKJWFAVHRT-YWBKEKEUSA-N 1 1 554.518 6.392 50 0 KKAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)N2N=C3/C(=C\c4ccc(Cl)cc4)CCC[C@@H]3[C@H]2c2ccc(Cl)cc2)C1 ZINC000254750540 572303410 /nfs/dbraw/zinc/30/34/10/572303410.db2.gz CMCLTKJWFAVHRT-YWBKEKEUSA-N 1 1 554.518 6.392 50 0 KKAAMO CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@H](c4ccc(OC)cc4)O[C@H]32)[N@@H+](C)C1 ZINC000257359386 572322166 /nfs/dbraw/zinc/32/21/66/572322166.db2.gz ZXIDTTGVCKUJNE-YUDPKKRRSA-N 1 1 767.001 6.929 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12 ZINC000524729062 1069825041 /nfs/dbraw/zinc/82/50/41/1069825041.db2.gz BDUHBCMMMLJOBR-XTEPFMGCSA-N 1 1 546.708 5.119 50 0 KKAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@@H]1CCCCN1C(=O)c1sccc1C ZINC000102499873 1069859484 /nfs/dbraw/zinc/85/94/84/1069859484.db2.gz GKYXAMMOPSSNBK-MHZLTWQESA-N 1 1 551.728 5.990 50 0 KKAAMO COCCCN(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583647609 1070952419 /nfs/dbraw/zinc/95/24/19/1070952419.db2.gz RHNIPZDOWWMUPQ-UHSQPCAPSA-N 1 1 546.708 5.531 50 0 KKAAMO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Oc2ccccc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150516359 1070975632 /nfs/dbraw/zinc/97/56/32/1070975632.db2.gz VEEMGQXOOWVFSO-QLKFWGTOSA-N 1 1 681.880 9.938 50 0 KKAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](Cc3c[nH]c4ccccc34)C2)cc1OC ZINC000103941313 1071047564 /nfs/dbraw/zinc/04/75/64/1071047564.db2.gz GTFJUUHAUIMOOB-IZZNHLLZSA-N 1 1 566.702 5.067 50 0 KKAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@H]1CCCCN1C(=O)c1cn2ccccc2n1 ZINC000299801316 1071049577 /nfs/dbraw/zinc/04/95/77/1071049577.db2.gz ZKOBFJSBFMWSBY-MUUNZHRXSA-N 1 1 571.697 5.268 50 0 KKAAMO COc1cc2c(c(OC)c1OC)-c1ccc(N[C@H](C(=O)NC3CC[NH+](Cc4ccc(F)cc4)CC3)C(C)C)c(=O)cc1[C@@H](NC(C)=O)CC2 ZINC000888088373 1071055350 /nfs/dbraw/zinc/05/53/50/1071055350.db2.gz RTGFWWRRHQMBFN-QGRQJHSQSA-N 1 1 674.814 5.219 50 0 KKAAMO O=C(CC[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000575443602 1071143639 /nfs/dbraw/zinc/14/36/39/1071143639.db2.gz WKRITZKUXUPOBS-UHFFFAOYSA-N 1 1 540.132 7.267 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)COc1cc2c(c3oc(=O)c(Cc4ccccc4)c(C)c13)CCC(C)(C)O2 ZINC000524729697 1071165808 /nfs/dbraw/zinc/16/58/08/1071165808.db2.gz FIDBWDDQJHSFAC-BHBYDHKZSA-N 1 1 616.799 5.914 50 0 KKAAMO COc1cccc(OC)c1C(=O)N1CCC(Oc2cccc(C[N@@H+](C)Cc3cccc4ncccc34)c2)CC1 ZINC000011783343 1071231368 /nfs/dbraw/zinc/23/13/68/1071231368.db2.gz BJAJXNOFUHBEDO-UHFFFAOYSA-N 1 1 525.649 5.568 50 0 KKAAMO COc1ccc(CNC(=O)COc2ccc(-c3csc4ccccc43)cc2C[N@H+](C)Cc2ccoc2)cc1 ZINC000011869264 1071232901 /nfs/dbraw/zinc/23/29/01/1071232901.db2.gz XWNBYCGDUUVTDZ-UHFFFAOYSA-N 1 1 526.658 6.497 50 0 KKAAMO COc1ccc(CNC(=O)COc2ccc(-c3csc4ccccc43)cc2C[N@@H+](C)Cc2ccoc2)cc1 ZINC000011869264 1071232912 /nfs/dbraw/zinc/23/29/12/1071232912.db2.gz XWNBYCGDUUVTDZ-UHFFFAOYSA-N 1 1 526.658 6.497 50 0 KKAAMO C[N@@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3cccc(-c4cccc(F)c4)c3)CC2)c1 ZINC000011981983 1071234590 /nfs/dbraw/zinc/23/45/90/1071234590.db2.gz FYITYTRDDMERCW-UHFFFAOYSA-N 1 1 514.666 6.870 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)Cc2ccccc2)c1)Cc1cccc2cccnc21 ZINC000014997683 1071246754 /nfs/dbraw/zinc/24/67/54/1071246754.db2.gz YAIHBDBLJCKCOO-SSEXGKCCSA-N 1 1 507.678 6.260 50 0 KKAAMO COc1ccccc1/C=C/C[N@@H+](C/C=C\c1ccccc1OC)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000606442025 1071277357 /nfs/dbraw/zinc/27/73/57/1071277357.db2.gz ACEQBKFUPFNTRW-HEYZYMFTSA-N 1 1 511.588 6.210 50 0 KKAAMO CC(C)(C)C(=O)Oc1cccc2ccc(C[NH+]3CCC(N4CCN(c5ccc(C(F)(F)F)cn5)CC4)CC3)nc21 ZINC000618255863 1071278060 /nfs/dbraw/zinc/27/80/60/1071278060.db2.gz ASUCVJGSXAZELN-UHFFFAOYSA-N 1 1 555.645 5.387 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@H+](Cc2ccncc2)C1 ZINC000200584979 1071290331 /nfs/dbraw/zinc/29/03/31/1071290331.db2.gz QKHQRCMSUJTWIR-URLMMPGGSA-N 1 1 518.661 5.117 50 0 KKAAMO Cc1ccc(C(=O)N2CCC[C@H](COc3cccc(C[NH+]4CCN(c5ccccc5F)CC4)c3)C2)s1 ZINC000015006959 1072896359 /nfs/dbraw/zinc/89/63/59/1072896359.db2.gz IDRPDCHAHXODAB-DEOSSOPVSA-N 1 1 507.675 5.449 50 0 KKAAMO O=C(c1cn(Cc2c[nH+]cn2Cc2ccc(Br)cc2)cc1-c1cccc2ccccc21)N1CCOCC1 ZINC000001490366 252327764 /nfs/dbraw/zinc/32/77/64/252327764.db2.gz GUUIRIMAQGOLHT-UHFFFAOYSA-N 1 1 555.476 5.836 50 0 in-vitro KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)cc2OC)cc1 ZINC000000633799 551505644 /nfs/dbraw/zinc/50/56/44/551505644.db2.gz UBDFFVMQEBPOEG-IZZNHLLZSA-N 1 1 502.958 5.170 50 0 KKAAMO O=C(c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001215032 551626520 /nfs/dbraw/zinc/62/65/20/551626520.db2.gz VHYZIYRPIIBARD-FYYLOGMGSA-N 1 1 586.083 6.806 50 0 KKAAMO O=C(c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001215035 551626531 /nfs/dbraw/zinc/62/65/31/551626531.db2.gz VHYZIYRPIIBARD-GGAORHGYSA-N 1 1 586.083 6.806 50 0 KKAAMO Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc1 ZINC000001785085 551698948 /nfs/dbraw/zinc/69/89/48/551698948.db2.gz GEUNWOGLSFKEFN-UHFFFAOYSA-N 1 1 593.642 8.289 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 ZINC000001802753 551703890 /nfs/dbraw/zinc/70/38/90/551703890.db2.gz GWJBJBKDXKRCRK-JGCGQSQUSA-N 1 1 586.143 8.476 50 0 KKAAMO COC(=O)CN1C(c2ccc(Br)cc2)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002059645 551741455 /nfs/dbraw/zinc/74/14/55/551741455.db2.gz LSNIUSMHBQUQLU-QFIPXVFZSA-N 1 1 514.217 5.868 50 0 KKAAMO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(-c2ccccc2)c1C[N@H+]1CCCC[C@@H]1C ZINC000002190999 551789920 /nfs/dbraw/zinc/78/99/20/551789920.db2.gz ULVSGHLHXYPSAO-KRWDZBQOSA-N 1 1 513.432 5.869 50 0 KKAAMO Cc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc5c(c4)OCCO5)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000002210037 551793975 /nfs/dbraw/zinc/79/39/75/551793975.db2.gz ZJZDVLOZDBWHTP-YQBGIYLHSA-N 1 1 533.697 6.816 50 0 KKAAMO Fc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000002246606 551799894 /nfs/dbraw/zinc/79/98/94/551799894.db2.gz BFIJFPAWGUSNGC-GOTSBHOMSA-N 1 1 509.766 6.046 50 0 KKAAMO COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(F)cc1)N1NC=NC1=[NH+]2 ZINC000002249015 551800861 /nfs/dbraw/zinc/80/08/61/551800861.db2.gz JCJHJIOCEZEFKB-RPWUZVMVSA-N 1 1 505.347 5.401 50 0 KKAAMO COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccc(F)cc1)N1NC=NC1=[NH+]2 ZINC000002249013 551800864 /nfs/dbraw/zinc/80/08/64/551800864.db2.gz JCJHJIOCEZEFKB-ZEQRLZLVSA-N 1 1 505.347 5.401 50 0 KKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Br)cc2)cc1 ZINC000002257582 551803194 /nfs/dbraw/zinc/80/31/94/551803194.db2.gz BWEGCPNWTAVCJH-ZEQRLZLVSA-N 1 1 505.803 6.215 50 0 KKAAMO O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](CCc1ccccc1)C3)c1ccc(Cl)cc1 ZINC000002593275 552133242 /nfs/dbraw/zinc/13/32/42/552133242.db2.gz IWGPEFPSIWCBFJ-UHFFFAOYSA-N 1 1 572.155 6.676 50 0 KKAAMO O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](CCc1ccccc1)C3)c1ccc(Cl)cc1 ZINC000002593275 552133245 /nfs/dbraw/zinc/13/32/45/552133245.db2.gz IWGPEFPSIWCBFJ-UHFFFAOYSA-N 1 1 572.155 6.676 50 0 KKAAMO Fc1ccccc1N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)CC1 ZINC000002714198 552161239 /nfs/dbraw/zinc/16/12/39/552161239.db2.gz RJHVVMJCWIAFNS-UHFFFAOYSA-N 1 1 517.530 6.572 50 0 KKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000002714457 552161267 /nfs/dbraw/zinc/16/12/67/552161267.db2.gz GHONSCWMHIFYRY-UHFFFAOYSA-N 1 1 515.060 8.375 50 0 KKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)C[C@@H]2C)c1 ZINC000002714574 552161444 /nfs/dbraw/zinc/16/14/44/552161444.db2.gz QBJJBOPVSYLSOH-QFIPXVFZSA-N 1 1 538.493 6.874 50 0 KKAAMO CC[C@H](c1nnc(SCC(=O)Nc2c(Br)cc(C)cc2Br)n1-c1ccccc1)[NH+](C)C ZINC000002726086 552167135 /nfs/dbraw/zinc/16/71/35/552167135.db2.gz USVVPLWQFSNSOE-GOSISDBHSA-N 1 1 567.351 5.844 50 0 KKAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000002916746 552217783 /nfs/dbraw/zinc/21/77/83/552217783.db2.gz QXOZBEWPFLTWJR-LOSJGSFVSA-N 1 1 517.383 5.271 50 0 KKAAMO O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1CCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000002974004 552245941 /nfs/dbraw/zinc/24/59/41/552245941.db2.gz JWMFWINMVJQIKU-UHFFFAOYSA-N 1 1 557.522 6.347 50 0 KKAAMO NS(=O)(=O)c1ccc(CCNc2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)cc1 ZINC000002974772 552246718 /nfs/dbraw/zinc/24/67/18/552246718.db2.gz UQJJROMTWSXQKF-UHFFFAOYSA-N 1 1 548.466 5.152 50 0 KKAAMO Cc1ccc(C)c(CN2C(=O)CSc3ccc(C(=O)NCCC[N@@H+](Cc4ccccc4)C(C)C)cc32)c1 ZINC000003040446 552272802 /nfs/dbraw/zinc/27/28/02/552272802.db2.gz FLVLRDFXRUTUNO-UHFFFAOYSA-N 1 1 515.723 5.973 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)CN1C(=O)/C(=C\c2cccc(F)c2)Oc2ccccc21)Cc1ccccc1 ZINC000003057111 552281188 /nfs/dbraw/zinc/28/11/88/552281188.db2.gz JNTKSHBCQXACTI-TURZUDJPSA-N 1 1 501.602 5.009 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000003059532 552281804 /nfs/dbraw/zinc/28/18/04/552281804.db2.gz LFVVKASEIAJBHO-DCVRHQNFSA-N 1 1 530.068 5.911 50 0 KKAAMO O=C(c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000003063109 552283660 /nfs/dbraw/zinc/28/36/60/552283660.db2.gz LCDBAZKQQAAAPD-WEMUVCOSSA-N 1 1 580.153 6.978 50 0 KKAAMO CCCC[N@@H+](C)C[C@H](O)Cn1c2ccc(Br)cc2c2cc(Br)cc(Br)c21 ZINC000003138233 552294002 /nfs/dbraw/zinc/29/40/02/552294002.db2.gz JNEBZKYMWSXVAC-HNNXBMFYSA-N 1 1 547.129 6.175 50 0 KKAAMO CC(C)(c1ccccc1)c1ccc(OC[C@@H](O)C[NH2+][C@H](Cc2ccccc2)c2nc(-c3ccccc3)no2)cc1 ZINC000003384386 552378780 /nfs/dbraw/zinc/37/87/80/552378780.db2.gz UCDNHFUYZOANNS-IGYGKHONSA-N 1 1 533.672 6.376 50 0 KKAAMO Cc1nnc(C(C)C)n1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccccc1 ZINC000003817234 552418558 /nfs/dbraw/zinc/41/85/58/552418558.db2.gz GSNHKUDZZFZSJB-HLMSNRGBSA-N 1 1 513.677 5.951 50 0 fda KKAAMO CC1(C)[C@H]2CC[C@]1(C)C[N@@H+](C[C@H](O)Cn1c3ccc(Br)cc3c3cc(Br)ccc31)C2 ZINC000004427818 552460502 /nfs/dbraw/zinc/46/05/02/552460502.db2.gz UDLROHGIZGZBJH-RSLCBRBSSA-N 1 1 534.336 6.439 50 0 KKAAMO COc1ccc(N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000004489232 552461894 /nfs/dbraw/zinc/46/18/94/552461894.db2.gz SXZUJFVFOKAUCR-UHFFFAOYSA-N 1 1 599.753 5.141 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000004757242 552475962 /nfs/dbraw/zinc/47/59/62/552475962.db2.gz GZALGSHCPGBAGE-PQHLKRTFSA-N 1 1 517.645 5.347 50 0 KKAAMO C[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000006102567 552534423 /nfs/dbraw/zinc/53/44/23/552534423.db2.gz FMTODOGGTULXOJ-HSZRJFAPSA-N 1 1 528.518 6.297 50 0 KKAAMO CCCc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(OCC)cc4)c(C[NH+]4CCC(C)CC4)c3oc2C(F)(F)F)cc1 ZINC000006166890 552557550 /nfs/dbraw/zinc/55/75/50/552557550.db2.gz ZMZXJJZSIXIXQR-UHFFFAOYSA-N 1 1 623.668 8.406 50 0 KKAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000006446796 552589554 /nfs/dbraw/zinc/58/95/54/552589554.db2.gz KDDJFCCNFMYHBZ-MHZLTWQESA-N 1 1 569.503 6.121 50 0 KKAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@@H]1c1ccc(Br)cc1 ZINC000008434775 553028841 /nfs/dbraw/zinc/02/88/41/553028841.db2.gz XTVGLKJJHVHWDD-HHHXNRCGSA-N 1 1 648.399 6.884 50 0 KKAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2c(=O)[nH]c3ccc(Br)cc3c2-c2ccccc2)C[C@H]1c1ccc(Br)cc1 ZINC000008434774 553028875 /nfs/dbraw/zinc/02/88/75/553028875.db2.gz XTVGLKJJHVHWDD-MHZLTWQESA-N 1 1 648.399 6.884 50 0 KKAAMO Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3N2)cc1 ZINC000008444705 553051197 /nfs/dbraw/zinc/05/11/97/553051197.db2.gz PEAHKDXESGNARZ-NSOVKSMOSA-N 1 1 559.636 6.399 50 0 KKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008583509 553079753 /nfs/dbraw/zinc/07/97/53/553079753.db2.gz BIODQAZDEDVLGU-NRFANRHFSA-N 1 1 566.123 5.185 50 0 KKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1 ZINC000008583508 553079797 /nfs/dbraw/zinc/07/97/97/553079797.db2.gz BIODQAZDEDVLGU-OAQYLSRUSA-N 1 1 566.123 5.185 50 0 KKAAMO Cc1oc(-c2cccc(C)c2)nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)C1 ZINC000008597889 553094346 /nfs/dbraw/zinc/09/43/46/553094346.db2.gz ZCRBWOCNAMRUDA-XMMPIXPASA-N 1 1 507.078 5.481 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000008598283 553094776 /nfs/dbraw/zinc/09/47/76/553094776.db2.gz OYMYXBUFVVVRLL-RUZDIDTESA-N 1 1 545.705 5.064 50 0 KKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@@H]2CC)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008918643 553188570 /nfs/dbraw/zinc/18/85/70/553188570.db2.gz HOAQCNNBBJKTLI-YADHBBJMSA-N 1 1 509.760 6.917 50 0 KKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@@H]2CC)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008918643 553188573 /nfs/dbraw/zinc/18/85/73/553188573.db2.gz HOAQCNNBBJKTLI-YADHBBJMSA-N 1 1 509.760 6.917 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)[C@@H]1c1cccs1 ZINC000009433320 553263106 /nfs/dbraw/zinc/26/31/06/553263106.db2.gz NQXXNRNWPQCWOE-WDYNHAJCSA-N 1 1 533.738 6.229 50 0 KKAAMO CCCC[N@@H+](CCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433699 553263581 /nfs/dbraw/zinc/26/35/81/553263581.db2.gz WFEMJSZDVAMTCD-VSGBNLITSA-N 1 1 519.711 5.983 50 0 KKAAMO CCOC(=O)C1CC[NH+]([C@H](c2cc(CC)sc2NC(=O)c2ccccc2)c2ccc(OC)cc2)CC1 ZINC000009971597 553322727 /nfs/dbraw/zinc/32/27/27/553322727.db2.gz XVAMQEUEBFOCMF-SANMLTNESA-N 1 1 506.668 5.936 50 0 KKAAMO C[N@@H+](Cc1ccc(OC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000011783573 553342442 /nfs/dbraw/zinc/34/24/42/553342442.db2.gz XYIKLXRXLXKSGR-UHFFFAOYSA-N 1 1 569.649 6.118 50 0 KKAAMO Cc1ccsc1C(=O)N1CCCC[C@@H]1CCOc1ccc(C[N@H+](C)Cc2cccc3ncccc23)cc1 ZINC000011909869 553348650 /nfs/dbraw/zinc/34/86/50/553348650.db2.gz PWEYKJDXKJDBOG-AREMUKBSSA-N 1 1 513.707 6.701 50 0 KKAAMO Cc1noc(C)c1CC(=O)N1CCC[C@H](COc2cccc(C[N@H+](C)Cc3ccc4ncccc4c3)c2)C1 ZINC000012151869 553352435 /nfs/dbraw/zinc/35/24/35/553352435.db2.gz ITONSCGIAQEFFE-SANMLTNESA-N 1 1 512.654 5.332 50 0 KKAAMO CCCC[NH+](CCCC)CCCN1C(=O)c2n[nH]c(-c3ccc(OC)cc3)c2[C@@H]1c1ccc(OC)cc1 ZINC000012419918 553365623 /nfs/dbraw/zinc/36/56/23/553365623.db2.gz JSOSZSHYGIBSHQ-LJAQVGFWSA-N 1 1 504.675 5.931 50 0 KKAAMO CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012538072 553388006 /nfs/dbraw/zinc/38/80/06/553388006.db2.gz BSANFXMAMMVUHO-AREMUKBSSA-N 1 1 530.034 6.729 50 0 KKAAMO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccc(C)cc4)nc4ccc(Br)cc43)CC2)cc1 ZINC000013320732 553458450 /nfs/dbraw/zinc/45/84/50/553458450.db2.gz KBYIHCIPELAOSU-UHFFFAOYSA-N 1 1 528.494 6.493 50 0 KKAAMO COc1ccc(C2=CSC3=NC4=C(C[N@@H+](C)C/C4=C\c4ccc(F)cc4)[C@@H](c4ccc(F)cc4)N23)cc1 ZINC000013686431 553485369 /nfs/dbraw/zinc/48/53/69/553485369.db2.gz JOYXXXWCYAFKLT-LQSCNRDHSA-N 1 1 513.613 6.715 50 0 KKAAMO COc1ccc(S[C@@H]2C[C@@H](C(=O)NCc3cn4ccccc4n3)[N@@H+](Cc3cc(C)ccc3C)C2)cc1 ZINC000014989482 553523879 /nfs/dbraw/zinc/52/38/79/553523879.db2.gz KINHHFJXZPWLAK-SXOMAYOGSA-N 1 1 500.668 5.011 50 0 KKAAMO COc1cccc(-c2cc(C(F)(F)F)n3nc(C(=O)OC[C@H]4CCC[N@H+]5CCCC[C@@H]45)c(Cl)c3n2)c1 ZINC000015319154 553531773 /nfs/dbraw/zinc/53/17/73/553531773.db2.gz FWOKAQXKGWTQAU-APWZRJJASA-N 1 1 522.955 5.498 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1 ZINC000015945285 553544063 /nfs/dbraw/zinc/54/40/63/553544063.db2.gz GOQGSBYMCZZXPN-HHHXNRCGSA-N 1 1 525.630 5.388 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1 ZINC000015945285 553544064 /nfs/dbraw/zinc/54/40/64/553544064.db2.gz GOQGSBYMCZZXPN-HHHXNRCGSA-N 1 1 525.630 5.388 50 0 KKAAMO COc1c(Br)cc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C(C)C)C3 ZINC000015946336 553544401 /nfs/dbraw/zinc/54/44/01/553544401.db2.gz NERGRJNUWKEOSJ-QGZVFWFLSA-N 1 1 515.271 5.477 50 0 KKAAMO CCOc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 ZINC000015946768 553544904 /nfs/dbraw/zinc/54/49/04/553544904.db2.gz JVFFWUUJLHLCRE-HXUWFJFHSA-N 1 1 511.732 6.221 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)c(OC)c(Br)c2)N3)C1 ZINC000015947277 553545062 /nfs/dbraw/zinc/54/50/62/553545062.db2.gz DLXBLMWWVMDSEW-INIZCTEOSA-N 1 1 501.244 5.089 50 0 KKAAMO O=C(Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)cc1)c1cccc(F)c1 ZINC000015947325 553545192 /nfs/dbraw/zinc/54/51/92/553545192.db2.gz JDNJUSPVSPCNPV-AREMUKBSSA-N 1 1 513.594 6.094 50 0 KKAAMO O=C(Oc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)cc1)c1cccc(F)c1 ZINC000015947325 553545194 /nfs/dbraw/zinc/54/51/94/553545194.db2.gz JDNJUSPVSPCNPV-AREMUKBSSA-N 1 1 513.594 6.094 50 0 KKAAMO COc1ccc(C(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)cc2OC)cc1 ZINC000015947094 553545203 /nfs/dbraw/zinc/54/52/03/553545203.db2.gz AFDMQGTZOXGBRP-DEOSSOPVSA-N 1 1 507.612 5.180 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccco1 ZINC000015947342 553545397 /nfs/dbraw/zinc/54/53/97/553545397.db2.gz ZCAAOVOALVCQLN-VWLOTQADSA-N 1 1 515.591 5.556 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccco1 ZINC000015947342 553545399 /nfs/dbraw/zinc/54/53/99/553545399.db2.gz ZCAAOVOALVCQLN-VWLOTQADSA-N 1 1 515.591 5.556 50 0 KKAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)cc1 ZINC000016570207 553567711 /nfs/dbraw/zinc/56/77/11/553567711.db2.gz PXJICSFQLPYNAU-UHFFFAOYSA-N 1 1 513.641 6.458 50 0 KKAAMO CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000070670179 553600597 /nfs/dbraw/zinc/60/05/97/553600597.db2.gz DPRQHHRPINNTDA-GAMWWGDMSA-N 1 1 572.834 7.354 50 0 biogenic KKAAMO COc1cccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)c1 ZINC000019759925 553615838 /nfs/dbraw/zinc/61/58/38/553615838.db2.gz UQEADMDARGVVCN-UHFFFAOYSA-N 1 1 513.641 6.458 50 0 KKAAMO C[C@@H](c1cc(Cl)ccc1Sc1cc(Cl)ccc1Cl)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019801814 553617440 /nfs/dbraw/zinc/61/74/40/553617440.db2.gz OWCURUFWAGIKAW-INIZCTEOSA-N 1 1 512.333 8.335 50 0 KKAAMO Fc1ccc(OCC[NH+]2CCN([C@H]3Cc4ccc(F)cc4Sc4cc(F)c(Cl)cc43)CC2)cc1 ZINC000019802412 553617466 /nfs/dbraw/zinc/61/74/66/553617466.db2.gz IJNMHRAMFXVDQO-DEOSSOPVSA-N 1 1 505.005 6.202 50 0 KKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)s1 ZINC000019832046 553623047 /nfs/dbraw/zinc/62/30/47/553623047.db2.gz UDSBGEHFURODHB-UHFFFAOYSA-N 1 1 503.671 6.819 50 0 KKAAMO CC(C)c1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000019841255 553623166 /nfs/dbraw/zinc/62/31/66/553623166.db2.gz VVXFXIZKEVPBQZ-UHFFFAOYSA-N 1 1 528.494 6.746 50 0 KKAAMO CC(C)(C)c1cc(C(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc(C(C)(C)C)c1O ZINC000019842739 553623352 /nfs/dbraw/zinc/62/33/52/553623352.db2.gz GBMBAMWRPVJIAM-UHFFFAOYSA-N 1 1 500.752 7.070 50 0 KKAAMO Cc1ccc2c(c1C)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070706464 553628065 /nfs/dbraw/zinc/62/80/65/553628065.db2.gz DSFLXWSYLKLABO-BAAZAXTHSA-N 1 1 556.460 5.081 50 0 biogenic KKAAMO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019880233 553629258 /nfs/dbraw/zinc/62/92/58/553629258.db2.gz MBNRRRMQKPDSSO-PMERELPUSA-N 1 1 525.718 6.533 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000019872574 553629299 /nfs/dbraw/zinc/62/92/99/553629299.db2.gz JHPFTYUOSWZHFM-UHFFFAOYSA-N 1 1 525.699 6.306 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000019872574 553629302 /nfs/dbraw/zinc/62/93/02/553629302.db2.gz JHPFTYUOSWZHFM-UHFFFAOYSA-N 1 1 525.699 6.306 50 0 KKAAMO CN(C)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000019891506 553630125 /nfs/dbraw/zinc/63/01/25/553630125.db2.gz CYPVINGOPSSHQJ-RPBOFIJWSA-N 1 1 500.400 5.319 50 0 KKAAMO O=C1C[C@H](/C=C/c2ccccc2)Cc2nc(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ncc21 ZINC000019921503 553633579 /nfs/dbraw/zinc/63/35/79/553633579.db2.gz PPCOJMVVWUJTOV-ZMNABIIRSA-N 1 1 500.646 5.847 50 0 KKAAMO Cc1nc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc2c1C(=O)C[C@@H](/C=C/c1ccccc1)C2 ZINC000019921509 553633626 /nfs/dbraw/zinc/63/36/26/553633626.db2.gz PNKVFBANQXCBHX-FOHRATBMSA-N 1 1 514.673 6.155 50 0 KKAAMO CCC[N@@H+]1CCc2c(sc3nc(SCc4ccc5c(c4)OCO5)n(-c4ccc(C)cc4)c(=O)c23)C1 ZINC000019940238 553638132 /nfs/dbraw/zinc/63/81/32/553638132.db2.gz NPNMPZHEOMURML-UHFFFAOYSA-N 1 1 505.665 5.545 50 0 KKAAMO CCC[N@H+]1CCc2c(sc3nc(SCc4ccc5c(c4)OCO5)n(-c4ccc(C)cc4)c(=O)c23)C1 ZINC000019940238 553638134 /nfs/dbraw/zinc/63/81/34/553638134.db2.gz NPNMPZHEOMURML-UHFFFAOYSA-N 1 1 505.665 5.545 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[N@H+](C)C4CCCCC4)cc3)C2=O)c1 ZINC000020355163 553640737 /nfs/dbraw/zinc/64/07/37/553640737.db2.gz CZJCMDWLTIVOLN-DFKUXCBWSA-N 1 1 523.677 5.956 50 0 KKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc(/C=C2/Oc3ccccc3N(Cc3cccc(C)c3)C2=O)cc1 ZINC000020355178 553640831 /nfs/dbraw/zinc/64/08/31/553640831.db2.gz DCFCDYBWGBRTPD-JBASAIQMSA-N 1 1 511.666 5.814 50 0 KKAAMO O=C(CCC(=O)N1CC[NH+](C2c3ccccc3-c3ccccc32)CC1)Nc1nnc(C2CCCCC2)s1 ZINC000020358107 553642576 /nfs/dbraw/zinc/64/25/76/553642576.db2.gz ZRYLYFVTBSMDAO-UHFFFAOYSA-N 1 1 515.683 5.219 50 0 KKAAMO COc1cc(NC(=O)N[C@@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc(OC)c1OC ZINC000020386602 553644000 /nfs/dbraw/zinc/64/40/00/553644000.db2.gz NIIMPCVNCFEEPU-NRFANRHFSA-N 1 1 526.703 5.852 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000072177062 553645658 /nfs/dbraw/zinc/64/56/58/553645658.db2.gz JVAQZMVDSSVXGG-IWIKFHKFSA-N 1 1 564.151 6.052 50 0 KKAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)OC1(CCCCC1)CC3 ZINC000079190299 553667613 /nfs/dbraw/zinc/66/76/13/553667613.db2.gz YCIUCRDWESOBAM-JYFHCDHNSA-N 1 1 506.687 5.443 50 0 biogenic KKAAMO COc1ccc(/C=C2\C[N@@H+](Cc3ccccc3)C[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(OC)cc2)cc1 ZINC000020038089 553667895 /nfs/dbraw/zinc/66/78/95/553667895.db2.gz ZGMYKCLMCYAYHD-ZSIILREHSA-N 1 1 515.657 6.837 50 0 KKAAMO O=C(c1cc(-c2ccccn2)nc2c(Cl)cccc12)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020509545 553668439 /nfs/dbraw/zinc/66/84/39/553668439.db2.gz FZITXWFRMSTEAC-UHFFFAOYSA-N 1 1 519.048 6.498 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccc(OC)c3)n2Cc2ccccc2)CC1 ZINC000085405205 553679720 /nfs/dbraw/zinc/67/97/20/553679720.db2.gz GRCMWCSHKPJTFW-UHFFFAOYSA-N 1 1 527.694 5.072 50 0 KKAAMO Cc1ccc([C@@H]2C[N@@H+](C)[C@@]3(c4ccccc4N(Cc4cccc(Cl)c4)C3=O)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000020685124 553688503 /nfs/dbraw/zinc/68/85/03/553688503.db2.gz DJLWVDRRJGUMIB-JIBXKPLWSA-N 1 1 521.060 6.619 50 0 KKAAMO Cc1ccc([C@@H]2C[N@H+](C)[C@@]3(c4ccccc4N(Cc4cccc(Cl)c4)C3=O)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000020685124 553688504 /nfs/dbraw/zinc/68/85/04/553688504.db2.gz DJLWVDRRJGUMIB-JIBXKPLWSA-N 1 1 521.060 6.619 50 0 KKAAMO C[N@@H+](CCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)CCc1ccccc1 ZINC000020726427 553690254 /nfs/dbraw/zinc/69/02/54/553690254.db2.gz JOLGBOAINDTCKZ-XHPQRKPJSA-N 1 1 506.071 5.111 50 0 KKAAMO CC(C)[N@@H+](CCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000020727063 553690686 /nfs/dbraw/zinc/69/06/86/553690686.db2.gz CNOXGLRPBGQLCZ-IMRQLAEWSA-N 1 1 520.098 5.847 50 0 KKAAMO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)C2=O)c1 ZINC000020736934 553694297 /nfs/dbraw/zinc/69/42/97/553694297.db2.gz DDOOKFIQPQFMJH-XHLNEMQHSA-N 1 1 527.690 5.127 50 0 KKAAMO CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C3=O)s1 ZINC000021522669 553710170 /nfs/dbraw/zinc/71/01/70/553710170.db2.gz VIIJNUOQAAFSPP-ZQLNOWDWSA-N 1 1 526.791 5.687 50 0 KKAAMO O=C(c1ccccc1F)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000021796406 553717017 /nfs/dbraw/zinc/71/70/17/553717017.db2.gz MZXUZULWOGBWTL-UHFFFAOYSA-N 1 1 511.988 5.842 50 0 KKAAMO COc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)cc1 ZINC000021796442 553717035 /nfs/dbraw/zinc/71/70/35/553717035.db2.gz YYBZILHWNIYERR-UHFFFAOYSA-N 1 1 507.569 5.198 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3C)CC2)cc1 ZINC000021796526 553717065 /nfs/dbraw/zinc/71/70/65/553717065.db2.gz RCMCPKIOQRHPDE-UHFFFAOYSA-N 1 1 503.606 5.367 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000021796590 553717073 /nfs/dbraw/zinc/71/70/73/553717073.db2.gz XMUWOVQJXHWRDV-UHFFFAOYSA-N 1 1 517.633 5.757 50 0 KKAAMO O=C(c1cccc(F)c1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)CC1 ZINC000021796684 553717407 /nfs/dbraw/zinc/71/74/07/553717407.db2.gz YSPUVINGJSIANY-UHFFFAOYSA-N 1 1 511.988 5.842 50 0 KKAAMO Cc1[nH]c2ccccc2c1[C@H](c1ccccc1F)N1CC[NH+]([C@@H](c2c(C)[nH]c3ccccc32)c2ccccc2F)CC1 ZINC000096021771 553717694 /nfs/dbraw/zinc/71/76/94/553717694.db2.gz SAYWINNUVICIJO-TYHGNQNSSA-N 1 1 560.692 8.041 50 0 KKAAMO Cc1[nH]c2ccccc2c1[C@H](c1ccccc1F)[NH+]1CCN([C@@H](c2c(C)[nH]c3ccccc32)c2ccccc2F)CC1 ZINC000096021771 553717696 /nfs/dbraw/zinc/71/76/96/553717696.db2.gz SAYWINNUVICIJO-TYHGNQNSSA-N 1 1 560.692 8.041 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096275682 553732676 /nfs/dbraw/zinc/73/26/76/553732676.db2.gz AMEXMNUROSWKFE-UHFFFAOYSA-N 1 1 536.720 6.326 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2ccc(C(C)(C)C)cc2)CC1 ZINC000096275635 553732722 /nfs/dbraw/zinc/73/27/22/553732722.db2.gz SCWRQSZSWKFPEB-HKBQPEDESA-N 1 1 521.749 6.982 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2ccc(C(C)(C)C)cc2)CC1 ZINC000096275636 553732766 /nfs/dbraw/zinc/73/27/66/553732766.db2.gz SCWRQSZSWKFPEB-WJOKGBTCSA-N 1 1 521.749 6.982 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(OC)cc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000096275727 553732993 /nfs/dbraw/zinc/73/29/93/553732993.db2.gz NUNQAESHSCNVMF-UHFFFAOYSA-N 1 1 510.638 5.037 50 0 KKAAMO CO[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5cc(C)ccc5C)cn43)CC2)C1 ZINC000096287424 553738340 /nfs/dbraw/zinc/73/83/40/553738340.db2.gz QWZYENBVNOTNSG-XRKRLSELSA-N 1 1 536.720 6.135 50 0 KKAAMO Cc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2C[NH+]2CCN(C(=O)C3CCCC3)CC2)cc1 ZINC000096288347 553739723 /nfs/dbraw/zinc/73/97/23/553739723.db2.gz UBKYODZDRATHDY-UHFFFAOYSA-N 1 1 513.085 6.465 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccc(C)cc4)c(C[NH+]4CCN(C(=O)CC(C)C)CC4)n3c2)c1 ZINC000096289061 553741167 /nfs/dbraw/zinc/74/11/67/553741167.db2.gz YXFOYVFJPPOVQM-UHFFFAOYSA-N 1 1 510.682 6.066 50 0 KKAAMO Cc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)Nc5c(C)cccc5C)CC4)n3c2)c1 ZINC000096289669 553741704 /nfs/dbraw/zinc/74/17/04/553741704.db2.gz FAUZHHSDFIFKKI-UHFFFAOYSA-N 1 1 529.688 6.943 50 0 KKAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000096289589 553741759 /nfs/dbraw/zinc/74/17/59/553741759.db2.gz ABXAFUJYVYKTDW-UHFFFAOYSA-N 1 1 506.572 5.784 50 0 KKAAMO Fc1ccc(-c2cc3ccccc3n2CCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022454854 553742751 /nfs/dbraw/zinc/74/27/51/553742751.db2.gz QJFINKUEPGZEDB-UHFFFAOYSA-N 1 1 503.665 7.245 50 0 KKAAMO CO[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3c(-c4ccc(C)cc4)nc4ccc(-c5cccc(C)c5)cn43)CC2)C1 ZINC000096293677 553747003 /nfs/dbraw/zinc/74/70/03/553747003.db2.gz WCTUIDQDTYCUFZ-PQHLKRTFSA-N 1 1 536.720 6.135 50 0 KKAAMO CCOC(=O)[C@H]1C[C@H]1C[NH+]1CCN(CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000022659974 553748849 /nfs/dbraw/zinc/74/88/49/553748849.db2.gz YJVBXGFMMSQTKM-DHLKQENFSA-N 1 1 505.486 5.306 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2-c2nc3ccccc3s2)C1 ZINC000023153853 553771093 /nfs/dbraw/zinc/77/10/93/553771093.db2.gz LYUCMYBXCALVHA-UHFFFAOYSA-N 1 1 516.648 5.309 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)c2-c2nc3ccccc3s2)C1 ZINC000023153853 553771094 /nfs/dbraw/zinc/77/10/94/553771094.db2.gz LYUCMYBXCALVHA-UHFFFAOYSA-N 1 1 516.648 5.309 50 0 KKAAMO O=C([C@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097946031 553776179 /nfs/dbraw/zinc/77/61/79/553776179.db2.gz ABVRVKHBEAGBAU-VWLOTQADSA-N 1 1 541.095 5.409 50 0 KKAAMO Nc1nc(CSC(=S)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)nc(Nc2ccc(F)cc2)n1 ZINC000097947913 553789776 /nfs/dbraw/zinc/78/97/76/553789776.db2.gz QARMQFGNORHAHV-UHFFFAOYSA-N 1 1 545.713 5.262 50 0 KKAAMO CCc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cc(Br)ccc3n2)s1 ZINC000097948702 553796005 /nfs/dbraw/zinc/79/60/05/553796005.db2.gz JHOUNIFKAFSKGI-UHFFFAOYSA-N 1 1 596.594 7.836 50 0 KKAAMO O=C(c1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000097949054 553799027 /nfs/dbraw/zinc/79/90/27/553799027.db2.gz NURMJOFDRALTEF-UHFFFAOYSA-N 1 1 634.824 6.781 50 0 KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@]12C(=O)Nc1ccccc12 ZINC000097955837 553834610 /nfs/dbraw/zinc/83/46/10/553834610.db2.gz GKIKOHDMJGPJMJ-LLXHICIGSA-N 1 1 542.035 5.062 50 0 KKAAMO CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3c2cc(Cl)cc3C)[C@]12C(=O)Nc1ccccc12 ZINC000097955837 553834613 /nfs/dbraw/zinc/83/46/13/553834613.db2.gz GKIKOHDMJGPJMJ-LLXHICIGSA-N 1 1 542.035 5.062 50 0 KKAAMO CN1CCN(C(=O)c2ccc(CSc3nc(N4CC[NH+](C/C=C/c5ccccc5)CC4)cc(C(C)(C)C)n3)cc2)CC1 ZINC000097955957 553835271 /nfs/dbraw/zinc/83/52/71/553835271.db2.gz JGPFOMKSJWJKSP-DHZHZOJOSA-N 1 1 584.834 5.289 50 0 KKAAMO O=C(c1cccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000097956367 553838527 /nfs/dbraw/zinc/83/85/27/553838527.db2.gz KZFWJCPGFUNLRE-OOAXWGSJSA-N 1 1 529.637 5.063 50 0 KKAAMO O=C(c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000029491984 553845211 /nfs/dbraw/zinc/84/52/11/553845211.db2.gz PBAZLTAEVZAXMC-UHFFFAOYSA-N 1 1 549.678 6.611 50 0 KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000030726840 553855708 /nfs/dbraw/zinc/85/57/08/553855708.db2.gz DFOCUWZXJBAUSQ-URLMMPGGSA-N 1 1 608.735 6.859 50 0 biogenic,in-vitro KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@@H](Cc1ccc(O)c(c1)Oc1ccc(cc1)C[C@@H]3[N@H+](C)CC2)N(C)CC4 ZINC000030726840 553855706 /nfs/dbraw/zinc/85/57/06/553855706.db2.gz DFOCUWZXJBAUSQ-URLMMPGGSA-N 1 1 608.735 6.859 50 0 biogenic,in-vitro KKAAMO CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](C)C4)cc2)CC1 ZINC000097963387 553889381 /nfs/dbraw/zinc/88/93/81/553889381.db2.gz AQGYKGASJOYUKL-UHFFFAOYSA-N 1 1 566.774 5.686 50 0 KKAAMO CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](C)C4)cc2)CC1 ZINC000097963387 553889383 /nfs/dbraw/zinc/88/93/83/553889383.db2.gz AQGYKGASJOYUKL-UHFFFAOYSA-N 1 1 566.774 5.686 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963405 553889730 /nfs/dbraw/zinc/88/97/30/553889730.db2.gz NYWMOILBNCFPQK-UHFFFAOYSA-N 1 1 588.780 6.480 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963405 553889733 /nfs/dbraw/zinc/88/97/33/553889733.db2.gz NYWMOILBNCFPQK-UHFFFAOYSA-N 1 1 588.780 6.480 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963411 553889797 /nfs/dbraw/zinc/88/97/97/553889797.db2.gz STZUHBKFTQPJDX-UHFFFAOYSA-N 1 1 580.801 6.076 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963411 553889799 /nfs/dbraw/zinc/88/97/99/553889799.db2.gz STZUHBKFTQPJDX-UHFFFAOYSA-N 1 1 580.801 6.076 50 0 KKAAMO CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)cc1 ZINC000097963426 553890078 /nfs/dbraw/zinc/89/00/78/553890078.db2.gz ZIOHZCXRVGJBPZ-UHFFFAOYSA-N 1 1 624.898 7.346 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963435 553890090 /nfs/dbraw/zinc/89/00/90/553890090.db2.gz UBPVCQDCMZGWDY-NHCUHLMSSA-N 1 1 608.855 6.710 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000097963489 553891146 /nfs/dbraw/zinc/89/11/46/553891146.db2.gz IILGEQFQRQHGBM-UHFFFAOYSA-N 1 1 628.845 7.010 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000097963489 553891147 /nfs/dbraw/zinc/89/11/47/553891147.db2.gz IILGEQFQRQHGBM-UHFFFAOYSA-N 1 1 628.845 7.010 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000097963497 553891152 /nfs/dbraw/zinc/89/11/52/553891152.db2.gz RDMCETJMGDRASQ-UHFFFAOYSA-N 1 1 676.889 7.977 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 ZINC000097963497 553891153 /nfs/dbraw/zinc/89/11/53/553891153.db2.gz RDMCETJMGDRASQ-UHFFFAOYSA-N 1 1 676.889 7.977 50 0 KKAAMO COc1ccc(-c2csc3nc(C[N@H+](Cc4ccccc4)Cc4ccc(Cl)cc4)cc(=O)n23)cc1 ZINC000033068929 553905828 /nfs/dbraw/zinc/90/58/28/553905828.db2.gz YAPZMLUUVZPXAW-UHFFFAOYSA-N 1 1 502.039 6.287 50 0 KKAAMO COc1ccc(-c2csc3nc(C[N@@H+](Cc4ccccc4)Cc4ccc(Cl)cc4)cc(=O)n23)cc1 ZINC000033068929 553905831 /nfs/dbraw/zinc/90/58/31/553905831.db2.gz YAPZMLUUVZPXAW-UHFFFAOYSA-N 1 1 502.039 6.287 50 0 KKAAMO O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1)c1cc2cc(Br)ccc2oc1=O ZINC000097966199 553907411 /nfs/dbraw/zinc/90/74/11/553907411.db2.gz KEUNRTAJJQIINB-FDDCHVKYSA-N 1 1 539.426 5.229 50 0 KKAAMO Cc1cccc(CN2c3cc(C(=O)NCCC[N@H+](C)C4CCCCC4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000033356437 553941491 /nfs/dbraw/zinc/94/14/91/553941491.db2.gz QUGGZLKACUWBPY-UHFFFAOYSA-N 1 1 559.732 5.373 50 0 KKAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccccc2Cl)S3)C1 ZINC000033357441 553948289 /nfs/dbraw/zinc/94/82/89/553948289.db2.gz BNLCJXLASIINLB-RUDJBYLXSA-N 1 1 532.109 6.263 50 0 KKAAMO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1ccccc1 ZINC000033435673 553960144 /nfs/dbraw/zinc/96/01/44/553960144.db2.gz REMYYYICRNOILH-VTTCDHFQSA-N 1 1 507.675 5.218 50 0 KKAAMO COc1cc(NC(=O)C(C)(C)N(C[C@@H]2CCC[N@H+]3CCCC[C@@H]23)C(=O)c2ccc(Cl)cc2)cc(OC)c1 ZINC000033435675 553960184 /nfs/dbraw/zinc/96/01/84/553960184.db2.gz OOABJYJUKFWDEH-LVXARBLLSA-N 1 1 528.093 5.481 50 0 KKAAMO Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)c1 ZINC000034667503 553982138 /nfs/dbraw/zinc/98/21/38/553982138.db2.gz GWRYAXPYSNTRMW-QNLPTKCRSA-N 1 1 508.637 6.366 50 0 KKAAMO Cc1cccc(CNC(=O)[C@@H](C)Oc2ccc3c(c2)[C@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)c1 ZINC000034667503 553982143 /nfs/dbraw/zinc/98/21/43/553982143.db2.gz GWRYAXPYSNTRMW-QNLPTKCRSA-N 1 1 508.637 6.366 50 0 KKAAMO Cc1cccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)[C@@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)c1 ZINC000034667506 553982220 /nfs/dbraw/zinc/98/22/20/553982220.db2.gz GWRYAXPYSNTRMW-NRUKRWIHSA-N 1 1 508.637 6.366 50 0 KKAAMO Cc1cccc(CNC(=O)[C@H](C)Oc2ccc3c(c2)[C@@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)c1 ZINC000034667506 553982216 /nfs/dbraw/zinc/98/22/16/553982216.db2.gz GWRYAXPYSNTRMW-NRUKRWIHSA-N 1 1 508.637 6.366 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671773 553982338 /nfs/dbraw/zinc/98/23/38/553982338.db2.gz OMRZNGCHKCPVCX-CZNDPXEESA-N 1 1 522.664 6.756 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034671714 553982483 /nfs/dbraw/zinc/98/24/83/553982483.db2.gz UABWLVIVSKWJTJ-JHOUSYSJSA-N 1 1 522.664 6.756 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671764 553982684 /nfs/dbraw/zinc/98/26/84/553982684.db2.gz OMRZNGCHKCPVCX-LQJZCPKCSA-N 1 1 522.664 6.756 50 0 KKAAMO COc1ccc(C[N@H+]2CCCN(c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cn3)CC2)c(OC)c1 ZINC000034681641 553984997 /nfs/dbraw/zinc/98/49/97/553984997.db2.gz QLDSIZHLPKDIOV-UHFFFAOYSA-N 1 1 502.659 5.361 50 0 KKAAMO COc1ccc(C(=O)N(c2ccc(OC)cc2)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000034683208 553985470 /nfs/dbraw/zinc/98/54/70/553985470.db2.gz LNFYUWDOBXGSGD-UHFFFAOYSA-N 1 1 520.626 5.041 50 0 KKAAMO CC[C@@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1ccccc1 ZINC000034681884 553985566 /nfs/dbraw/zinc/98/55/66/553985566.db2.gz BGXIWZFATUKMDG-WJOKGBTCSA-N 1 1 520.677 6.719 50 0 KKAAMO COc1ccc(N(C2CC[NH+](Cc3ccc(Cl)cc3)CC2)S(=O)(=O)c2ccccc2)cc1OC ZINC000034683740 553986043 /nfs/dbraw/zinc/98/60/43/553986043.db2.gz QRMZLWLFBBEVPK-UHFFFAOYSA-N 1 1 501.048 5.217 50 0 KKAAMO COc1cccc(N(C2CC[NH+](Cc3cccc(Oc4ccccc4)c3)CC2)S(=O)(=O)c2ccccc2)c1 ZINC000034683866 553986381 /nfs/dbraw/zinc/98/63/81/553986381.db2.gz WNUPJHZDVPGAHS-UHFFFAOYSA-N 1 1 528.674 6.347 50 0 KKAAMO O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@H+](Cc2ccccc2)CC3)o1 ZINC000034685561 553987108 /nfs/dbraw/zinc/98/71/08/553987108.db2.gz CXPHXTMJGUBBCI-IUDBTDONSA-N 1 1 522.645 5.915 50 0 KKAAMO Cc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000034699165 553992304 /nfs/dbraw/zinc/99/23/04/553992304.db2.gz RUPCVIAPEOZQPW-HOFKKMOUSA-N 1 1 516.579 6.821 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000034699136 553992394 /nfs/dbraw/zinc/99/23/94/553992394.db2.gz ZPDPGUJIQJJTSK-JYFHCDHNSA-N 1 1 500.630 6.781 50 0 KKAAMO CC(C)(C)c1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787307 554004495 /nfs/dbraw/zinc/00/44/95/554004495.db2.gz NSQVHYHIVAKMPU-GDLZYMKVSA-N 1 1 515.723 5.368 50 0 KKAAMO CC(C)(C)c1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787307 554004491 /nfs/dbraw/zinc/00/44/91/554004491.db2.gz NSQVHYHIVAKMPU-GDLZYMKVSA-N 1 1 515.723 5.368 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000034829796 554013081 /nfs/dbraw/zinc/01/30/81/554013081.db2.gz SVAXEGFFFRXBLC-NFQMXDRXSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000034829796 554013086 /nfs/dbraw/zinc/01/30/86/554013086.db2.gz SVAXEGFFFRXBLC-NFQMXDRXSA-N 1 1 508.087 5.031 50 0 KKAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000034829937 554013684 /nfs/dbraw/zinc/01/36/84/554013684.db2.gz RMQKOUFLMOVVOQ-SIBVEZHUSA-N 1 1 509.075 5.114 50 0 KKAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000034829937 554013687 /nfs/dbraw/zinc/01/36/87/554013687.db2.gz RMQKOUFLMOVVOQ-SIBVEZHUSA-N 1 1 509.075 5.114 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000034830383 554015779 /nfs/dbraw/zinc/01/57/79/554015779.db2.gz LUEMCUCYSZVCBV-IDISGSTGSA-N 1 1 522.114 5.421 50 0 KKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@@H]1C ZINC000034830539 554016025 /nfs/dbraw/zinc/01/60/25/554016025.db2.gz KVPAGDBGALSPGE-VPYPWEPUSA-N 1 1 513.723 5.501 50 0 KKAAMO CC[NH+]1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2S(=O)(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000034919614 554030787 /nfs/dbraw/zinc/03/07/87/554030787.db2.gz YUFOLJPSUCPKCM-MHZLTWQESA-N 1 1 538.758 5.093 50 0 KKAAMO O=C(c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097999918 554047179 /nfs/dbraw/zinc/04/71/79/554047179.db2.gz XEFXRWJRZCATNN-GGAORHGYSA-N 1 1 630.534 6.915 50 0 KKAAMO O=C(c1nn2c(c1Br)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097999921 554047204 /nfs/dbraw/zinc/04/72/04/554047204.db2.gz XEFXRWJRZCATNN-JTHBVZDNSA-N 1 1 630.534 6.915 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000035427152 554050570 /nfs/dbraw/zinc/05/05/70/554050570.db2.gz XETLFIOAVRZCCX-MUUNZHRXSA-N 1 1 528.678 6.071 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000035427152 554050573 /nfs/dbraw/zinc/05/05/73/554050573.db2.gz XETLFIOAVRZCCX-MUUNZHRXSA-N 1 1 528.678 6.071 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2OC)CC[N@@H+](C)C4)cc1 ZINC000035427110 554050764 /nfs/dbraw/zinc/05/07/64/554050764.db2.gz GFVGRPDDUIHNIT-MHZLTWQESA-N 1 1 514.651 5.681 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2OC)CC[N@H+](C)C4)cc1 ZINC000035427110 554050760 /nfs/dbraw/zinc/05/07/60/554050760.db2.gz GFVGRPDDUIHNIT-MHZLTWQESA-N 1 1 514.651 5.681 50 0 KKAAMO CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(OC)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427126 554050818 /nfs/dbraw/zinc/05/08/18/554050818.db2.gz DBGJGHJISFZVPM-MUUNZHRXSA-N 1 1 512.679 6.235 50 0 KKAAMO CCc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(OC)cc2)C[N@H+](C)CC4)cc1 ZINC000035427126 554050820 /nfs/dbraw/zinc/05/08/20/554050820.db2.gz DBGJGHJISFZVPM-MUUNZHRXSA-N 1 1 512.679 6.235 50 0 KKAAMO Cc1cc(C)cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)c1 ZINC000035427246 554051513 /nfs/dbraw/zinc/05/15/13/554051513.db2.gz YUFLFLKLXXFIFE-MHZLTWQESA-N 1 1 500.643 6.420 50 0 KKAAMO Cc1cc(C)cc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@H+](C)CC4)c1 ZINC000035427246 554051509 /nfs/dbraw/zinc/05/15/09/554051509.db2.gz YUFLFLKLXXFIFE-MHZLTWQESA-N 1 1 500.643 6.420 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2OC)CC[N@@H+](C)C4)c1 ZINC000035427282 554051580 /nfs/dbraw/zinc/05/15/80/554051580.db2.gz IZAHIWINJXXSCN-MHZLTWQESA-N 1 1 514.651 5.681 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2OC)CC[N@H+](C)C4)c1 ZINC000035427282 554051576 /nfs/dbraw/zinc/05/15/76/554051576.db2.gz IZAHIWINJXXSCN-MHZLTWQESA-N 1 1 514.651 5.681 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2F)CC[N@H+](C)C4)c1 ZINC000035427340 554051911 /nfs/dbraw/zinc/05/19/11/554051911.db2.gz IZIGZKFYKFTEDY-SANMLTNESA-N 1 1 520.605 5.951 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2F)CC[N@@H+](C)C4)c1 ZINC000035427340 554051914 /nfs/dbraw/zinc/05/19/14/554051914.db2.gz IZIGZKFYKFTEDY-SANMLTNESA-N 1 1 520.605 5.951 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2)CC[N@@H+](C)C4)c1 ZINC000035427293 554051985 /nfs/dbraw/zinc/05/19/85/554051985.db2.gz BCSWWTUNUQBSTQ-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2)CC[N@H+](C)C4)c1 ZINC000035427293 554051982 /nfs/dbraw/zinc/05/19/82/554051982.db2.gz BCSWWTUNUQBSTQ-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c1 ZINC000035427360 554052366 /nfs/dbraw/zinc/05/23/66/554052366.db2.gz BKFIGBPCKZULLR-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c1 ZINC000035427360 554052368 /nfs/dbraw/zinc/05/23/68/554052368.db2.gz BKFIGBPCKZULLR-SANMLTNESA-N 1 1 503.071 6.626 50 0 KKAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br ZINC000098005989 554060317 /nfs/dbraw/zinc/06/03/17/554060317.db2.gz BMDPDQKQDWHOTJ-DZGCQCFKSA-N 1 1 527.341 5.192 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4ccccc4Cl)n3Cc3ccccc3)cc2)CC1 ZINC000098010656 554073223 /nfs/dbraw/zinc/07/32/23/554073223.db2.gz BXUFEMYMTWTJPS-UHFFFAOYSA-N 1 1 532.113 5.717 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)CCC ZINC000035842624 554081107 /nfs/dbraw/zinc/08/11/07/554081107.db2.gz PHKMYNFGOVKARF-MUUNZHRXSA-N 1 1 505.747 6.300 50 0 KKAAMO COc1ccc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C(C)(C)C)cc2)C2CC2)cc1 ZINC000035842751 554081582 /nfs/dbraw/zinc/08/15/82/554081582.db2.gz IQDANKGRUBHPQG-UHFFFAOYSA-N 1 1 523.721 6.710 50 0 KKAAMO COc1ccc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C(C)(C)C)cc2)C2CC2)cc1 ZINC000035842751 554081587 /nfs/dbraw/zinc/08/15/87/554081587.db2.gz IQDANKGRUBHPQG-UHFFFAOYSA-N 1 1 523.721 6.710 50 0 KKAAMO COc1ccc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(C(C)(C)C)cc2)CC(C)C)cc1 ZINC000035842737 554081628 /nfs/dbraw/zinc/08/16/28/554081628.db2.gz DGAZDRHPIAQPQR-UHFFFAOYSA-N 1 1 539.764 7.204 50 0 KKAAMO CCOC(=O)CCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)C(C)C ZINC000035843669 554082164 /nfs/dbraw/zinc/08/21/64/554082164.db2.gz HMUWPCVSPXTKEY-UHFFFAOYSA-N 1 1 532.512 6.100 50 0 KKAAMO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035908044 554092393 /nfs/dbraw/zinc/09/23/93/554092393.db2.gz LRNXZRZFTIELAZ-AZGAKELHSA-N 1 1 515.526 5.163 50 0 KKAAMO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000035908057 554092383 /nfs/dbraw/zinc/09/23/83/554092383.db2.gz FQTVRXMMHLCPII-BDYUSTAISA-N 1 1 511.563 5.067 50 0 KKAAMO Cc1ccc(Cc2nc3c(cnn3-c3ccccc3)c(N3CCC[N@H+](Cc4ccc(C(C)C)cc4)CC3)n2)cc1 ZINC000035927824 554101193 /nfs/dbraw/zinc/10/11/93/554101193.db2.gz PFWROAMRUPPQRU-UHFFFAOYSA-N 1 1 530.720 6.550 50 0 KKAAMO CCc1cccc2c([C@@H](CC(=O)NCCC[N@H+]3CCCC[C@@H]3C)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000098021397 554118425 /nfs/dbraw/zinc/11/84/25/554118425.db2.gz YKFYHRMKBFWPNF-CMVGPNDKSA-N 1 1 551.775 7.919 50 0 KKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)Cc1ccc(Cl)cc1 ZINC000098021435 554118674 /nfs/dbraw/zinc/11/86/74/554118674.db2.gz RUWFQDMOEJSXPX-UHFFFAOYSA-N 1 1 544.183 7.848 50 0 KKAAMO O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098021533 554119180 /nfs/dbraw/zinc/11/91/80/554119180.db2.gz FYAPVSWQGCFHIG-GDLZYMKVSA-N 1 1 534.103 7.277 50 0 KKAAMO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4ccccc4OC)nc4ccc(Br)cc43)CC2)cc1 ZINC000098042740 554121878 /nfs/dbraw/zinc/12/18/78/554121878.db2.gz RRKLEOLCQVCLDX-UHFFFAOYSA-N 1 1 544.493 6.193 50 0 KKAAMO O[C@H](COc1cccc2ncccc21)CN1CC[NH+]([C@H]2c3ccccc3[C@H]3[C@@H](c4ccccc42)C3(F)F)CC1 ZINC000100021802 554182247 /nfs/dbraw/zinc/18/22/47/554182247.db2.gz IHOVFYSQUDPMCN-JAYGTAOXSA-N 1 1 527.615 5.211 50 0 KKAAMO O[C@H](COc1cccc2ncccc21)C[NH+]1CCN([C@H]2c3ccccc3[C@H]3[C@@H](c4ccccc42)C3(F)F)CC1 ZINC000100021802 554182252 /nfs/dbraw/zinc/18/22/52/554182252.db2.gz IHOVFYSQUDPMCN-JAYGTAOXSA-N 1 1 527.615 5.211 50 0 KKAAMO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@H]2CCCO2)cc1 ZINC000036157213 554198768 /nfs/dbraw/zinc/19/87/68/554198768.db2.gz WYBKSJYIVOWGCZ-MUUNZHRXSA-N 1 1 503.589 6.332 50 0 KKAAMO Cc1ccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C[C@@H]2CCCO2)cc1 ZINC000036157208 554198789 /nfs/dbraw/zinc/19/87/89/554198789.db2.gz WYBKSJYIVOWGCZ-NDEPHWFRSA-N 1 1 503.589 6.332 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc(F)cc2)C[N@@H+]3C)c1 ZINC000036201477 554200773 /nfs/dbraw/zinc/20/07/73/554200773.db2.gz VRZXJDFERVRAHU-VBQVRTRESA-N 1 1 518.632 6.413 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc(F)cc2)C[N@H+]3C)c1 ZINC000036201477 554200770 /nfs/dbraw/zinc/20/07/70/554200770.db2.gz VRZXJDFERVRAHU-VBQVRTRESA-N 1 1 518.632 6.413 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000036208041 554202987 /nfs/dbraw/zinc/20/29/87/554202987.db2.gz YWGYKJYUCFXMNB-NBJCSOOUSA-N 1 1 520.629 5.957 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2C)C3=O)cc1 ZINC000036208041 554202989 /nfs/dbraw/zinc/20/29/89/554202989.db2.gz YWGYKJYUCFXMNB-NBJCSOOUSA-N 1 1 520.629 5.957 50 0 KKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@H](O)COC(C)C ZINC000036301857 554211891 /nfs/dbraw/zinc/21/18/91/554211891.db2.gz HZYYBIFUKWIUEI-QHCPKHFHSA-N 1 1 502.055 5.633 50 0 KKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccc(Cl)cc2)c1Oc1ccccc1OC)C[C@@H](O)COC(C)C ZINC000036301860 554212060 /nfs/dbraw/zinc/21/20/60/554212060.db2.gz HZYYBIFUKWIUEI-HSZRJFAPSA-N 1 1 502.055 5.633 50 0 KKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COCc3ccccc3)c(C)nn2-c2ccccc2)cc1 ZINC000036302346 554212401 /nfs/dbraw/zinc/21/24/01/554212401.db2.gz BHTWEZKQXFIGPK-MUUNZHRXSA-N 1 1 529.681 6.017 50 0 KKAAMO CCCC(=O)OC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)CC(C)C ZINC000036302403 554212429 /nfs/dbraw/zinc/21/24/29/554212429.db2.gz OFEBRPPTFJQPSJ-XMMPIXPASA-N 1 1 509.647 5.144 50 0 KKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)Cc1ccccc1 ZINC000036302562 554212848 /nfs/dbraw/zinc/21/28/48/554212848.db2.gz LAYSIIYEMYVOKK-SANMLTNESA-N 1 1 501.627 5.381 50 0 KKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(OC)cc1)Cc1ccccc1 ZINC000036302562 554212845 /nfs/dbraw/zinc/21/28/45/554212845.db2.gz LAYSIIYEMYVOKK-SANMLTNESA-N 1 1 501.627 5.381 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](CCOC)C[C@H](O)Cc1ccccc1 ZINC000036303104 554213005 /nfs/dbraw/zinc/21/30/05/554213005.db2.gz UQLNTKJNHBLHKP-RUZDIDTESA-N 1 1 503.618 5.418 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](CCOC)C[C@H](O)Cc1ccccc1 ZINC000036303104 554213003 /nfs/dbraw/zinc/21/30/03/554213003.db2.gz UQLNTKJNHBLHKP-RUZDIDTESA-N 1 1 503.618 5.418 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1C[N@@H+](C[C@H](O)Cc1ccccc1)CC1CC1 ZINC000036302837 554213019 /nfs/dbraw/zinc/21/30/19/554213019.db2.gz ZPLQYINEJRCKCA-HHHXNRCGSA-N 1 1 511.666 6.051 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](O)COC(C)(C)C ZINC000036303509 554213333 /nfs/dbraw/zinc/21/33/33/554213333.db2.gz JDARNOSAMTZDEU-JOCHJYFZSA-N 1 1 502.055 5.251 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](O)COC(C)(C)C ZINC000036303509 554213335 /nfs/dbraw/zinc/21/33/35/554213335.db2.gz JDARNOSAMTZDEU-JOCHJYFZSA-N 1 1 502.055 5.251 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](CCOC)C[C@H](O)Cc1ccccc1 ZINC000036303195 554213377 /nfs/dbraw/zinc/21/33/77/554213377.db2.gz JCHDVOGZGFUMRK-AREMUKBSSA-N 1 1 503.618 5.418 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](CCOC)C[C@H](O)Cc1ccccc1 ZINC000036303195 554213380 /nfs/dbraw/zinc/21/33/80/554213380.db2.gz JCHDVOGZGFUMRK-AREMUKBSSA-N 1 1 503.618 5.418 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036303736 554214006 /nfs/dbraw/zinc/21/40/06/554214006.db2.gz IZUMVTOPXXJZLV-VWLOTQADSA-N 1 1 504.030 6.031 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(Cl)cc2)c1C[N@@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036303736 554214011 /nfs/dbraw/zinc/21/40/11/554214011.db2.gz IZUMVTOPXXJZLV-VWLOTQADSA-N 1 1 504.030 6.031 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000036304662 554214480 /nfs/dbraw/zinc/21/44/80/554214480.db2.gz VHBGEULADHXDDW-MUUNZHRXSA-N 1 1 515.654 5.308 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000036304662 554214477 /nfs/dbraw/zinc/21/44/77/554214477.db2.gz VHBGEULADHXDDW-MUUNZHRXSA-N 1 1 515.654 5.308 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)COCc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305199 554214939 /nfs/dbraw/zinc/21/49/39/554214939.db2.gz HGSPAURDIGEDPN-MHZLTWQESA-N 1 1 532.084 6.323 50 0 KKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036307243 554215802 /nfs/dbraw/zinc/21/58/02/554215802.db2.gz WPDHQPMIUOUXAW-AHWVRZQESA-N 1 1 511.638 5.033 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(C)c1)C[C@@H](O)COc1ccccc1 ZINC000036306299 554215862 /nfs/dbraw/zinc/21/58/62/554215862.db2.gz SAZBBJRWRJAMCG-RUZDIDTESA-N 1 1 501.627 5.076 50 0 KKAAMO CC(C)[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COCc1ccccc1 ZINC000036307545 554216195 /nfs/dbraw/zinc/21/61/95/554216195.db2.gz SSARQQZPHSUXDB-SANMLTNESA-N 1 1 503.618 5.807 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@H](O)COCC(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316070 554219505 /nfs/dbraw/zinc/21/95/05/554219505.db2.gz LAUGOIOKYRAZNE-BDYUSTAISA-N 1 1 507.675 5.202 50 0 KKAAMO COc1ccc(OC)c([C@@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000036341735 554221224 /nfs/dbraw/zinc/22/12/24/554221224.db2.gz IBPVBDSXOFVNJP-LJAQVGFWSA-N 1 1 515.629 5.475 50 0 KKAAMO CCOc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3C)CC2)cc1 ZINC000036628359 554228533 /nfs/dbraw/zinc/22/85/33/554228533.db2.gz DVYSCMCKJYHMBV-UHFFFAOYSA-N 1 1 517.633 5.757 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1 ZINC000036628309 554228615 /nfs/dbraw/zinc/22/86/15/554228615.db2.gz XMYPYXIZPNGPRP-UHFFFAOYSA-N 1 1 524.024 5.712 50 0 KKAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccco2)c2nc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000037384346 554238259 /nfs/dbraw/zinc/23/82/59/554238259.db2.gz WYIGGLYSHHBDHN-UHFFFAOYSA-N 1 1 504.034 5.104 50 0 KKAAMO Cc1cccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000037523716 554250153 /nfs/dbraw/zinc/25/01/53/554250153.db2.gz QJCSLMJOOZUZDU-WNJJXGMVSA-N 1 1 526.618 7.167 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000037523714 554250164 /nfs/dbraw/zinc/25/01/64/554250164.db2.gz GSVGNCIRFXJYSG-UFHPHHKVSA-N 1 1 530.581 6.998 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2ccccc2)cc1 ZINC000037524153 554250296 /nfs/dbraw/zinc/25/02/96/554250296.db2.gz SAVYTGWDLKJHKL-LMSSTIIKSA-N 1 1 508.628 7.028 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@@H]3CC[N@H+](C4CCCC4)C3)cnn2-c2ccccc2Cl)CC1 ZINC000038139260 554259958 /nfs/dbraw/zinc/25/99/58/554259958.db2.gz RFCBVMQVEGSLPW-NRFANRHFSA-N 1 1 556.151 5.635 50 0 KKAAMO FC(F)(F)c1ccc2c(c1)N(CCC[NH+]1CCN(c3nc(-c4ccccc4)cs3)CC1)c1ccccc1S2 ZINC000100287695 554281222 /nfs/dbraw/zinc/28/12/22/554281222.db2.gz KHQRDZVYIGQOFQ-UHFFFAOYSA-N 1 1 552.691 7.644 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000043716822 554299009 /nfs/dbraw/zinc/29/90/09/554299009.db2.gz QQSMWQXCJPULCO-KIHHCIJBSA-N 1 1 504.373 5.148 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000043716822 554299015 /nfs/dbraw/zinc/29/90/15/554299015.db2.gz QQSMWQXCJPULCO-KIHHCIJBSA-N 1 1 504.373 5.148 50 0 KKAAMO O=c1c2c3c(sc2nc(SCc2cccc4ccccc42)n1-c1ccccc1)C[N@@H+](CCc1ccccc1)CC3 ZINC000053305774 554332847 /nfs/dbraw/zinc/33/28/47/554332847.db2.gz JNLUCVVVYCGYPI-UHFFFAOYSA-N 1 1 559.760 7.494 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000053362719 554345499 /nfs/dbraw/zinc/34/54/99/554345499.db2.gz HKMJGNJJAWSOOT-PKLKWBPYSA-N 1 1 541.047 6.302 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000053362719 554345495 /nfs/dbraw/zinc/34/54/95/554345495.db2.gz HKMJGNJJAWSOOT-PKLKWBPYSA-N 1 1 541.047 6.302 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O)C1CCCCC1 ZINC000053371812 554348168 /nfs/dbraw/zinc/34/81/68/554348168.db2.gz TXKVTAKWTSZFNW-LDLOPFEMSA-N 1 1 564.151 6.052 50 0 KKAAMO Cc1nn2c(nc(C)cc2N2CC[NH+](CCOC(c3ccccc3)c3ccccc3)CC2)c1-c1ccccc1 ZINC000054274582 554349135 /nfs/dbraw/zinc/34/91/35/554349135.db2.gz VTWBBBXOGCYCGD-UHFFFAOYSA-N 1 1 517.677 5.941 50 0 KKAAMO CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4Cl)CC3)cc2)cc1 ZINC000057254361 554353318 /nfs/dbraw/zinc/35/33/18/554353318.db2.gz WVLHOBVGDBMZBG-UHFFFAOYSA-N 1 1 507.103 5.912 50 0 KKAAMO O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000059525287 554406251 /nfs/dbraw/zinc/40/62/51/554406251.db2.gz BUISWPRZWLNLNY-UHFFFAOYSA-N 1 1 537.660 6.095 50 0 KKAAMO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000059651280 554418261 /nfs/dbraw/zinc/41/82/61/554418261.db2.gz NDZLEMNGPAQHHC-UHFFFAOYSA-N 1 1 541.673 5.615 50 0 KKAAMO COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C[N@@H+]3CCc4ccccc4C3)cc2)cc1 ZINC000059651280 554418259 /nfs/dbraw/zinc/41/82/59/554418259.db2.gz NDZLEMNGPAQHHC-UHFFFAOYSA-N 1 1 541.673 5.615 50 0 KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@H+](C(C)C)C3)cc1 ZINC000100848561 554491808 /nfs/dbraw/zinc/49/18/08/554491808.db2.gz MSLDLJNMAIXVPX-UHFFFAOYSA-N 1 1 549.759 5.144 50 0 KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[N@@H+](C(C)C)C3)cc1 ZINC000100848561 554491809 /nfs/dbraw/zinc/49/18/09/554491809.db2.gz MSLDLJNMAIXVPX-UHFFFAOYSA-N 1 1 549.759 5.144 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000100866728 554497099 /nfs/dbraw/zinc/49/70/99/554497099.db2.gz AMAOOGVPCWUHJN-KIHHCIJBSA-N 1 1 548.824 5.257 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000100866728 554497100 /nfs/dbraw/zinc/49/71/00/554497100.db2.gz AMAOOGVPCWUHJN-KIHHCIJBSA-N 1 1 548.824 5.257 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(OC)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000100961405 554542505 /nfs/dbraw/zinc/54/25/05/554542505.db2.gz GZGMAAUUJSUVNV-PVSBUFJZSA-N 1 1 537.685 6.454 50 0 KKAAMO O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000100970466 554543655 /nfs/dbraw/zinc/54/36/55/554543655.db2.gz DLDSBNMUWOCRNG-UHFFFAOYSA-N 1 1 545.708 7.035 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1 ZINC000100984869 554548329 /nfs/dbraw/zinc/54/83/29/554548329.db2.gz ZOCDJIMMLAXSPZ-AYHHAJBCSA-N 1 1 542.104 7.098 50 0 KKAAMO COc1ccc(OC)c(CC(=O)N2CCOc3c(cc(-c4ccc(C)s4)cc3OC[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000101056256 554569470 /nfs/dbraw/zinc/56/94/70/554569470.db2.gz ASLIKJJMMURXMZ-JOCHJYFZSA-N 1 1 550.721 5.425 50 0 KKAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101064446 554571729 /nfs/dbraw/zinc/57/17/29/554571729.db2.gz JLEJNNHBBFNPSP-XSHKJCDBSA-N 1 1 556.460 5.081 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000101138048 554652053 /nfs/dbraw/zinc/65/20/53/554652053.db2.gz RQMZNPBKOQAELH-LIONHTAISA-N 1 1 517.507 5.168 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000101138048 554652055 /nfs/dbraw/zinc/65/20/55/554652055.db2.gz RQMZNPBKOQAELH-LIONHTAISA-N 1 1 517.507 5.168 50 0 KKAAMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000101189613 554670270 /nfs/dbraw/zinc/67/02/70/554670270.db2.gz ZAACMHXAXWPKNY-IVRHQOPMSA-N 1 1 555.719 5.673 50 0 KKAAMO COc1ccc(N2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1Cl ZINC000101216233 554683184 /nfs/dbraw/zinc/68/31/84/554683184.db2.gz UYCKBFFCORJRQZ-NDEPHWFRSA-N 1 1 624.182 5.027 50 0 KKAAMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000101226211 554688948 /nfs/dbraw/zinc/68/89/48/554688948.db2.gz RJNLJTQALKHTPY-IVRHQOPMSA-N 1 1 557.710 5.799 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254804 554695563 /nfs/dbraw/zinc/69/55/63/554695563.db2.gz KYXQGERIYQJGQQ-JGCGQSQUSA-N 1 1 613.828 5.323 50 0 KKAAMO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255107 554696191 /nfs/dbraw/zinc/69/61/91/554696191.db2.gz RFKSCLFLIDLEDD-PMERELPUSA-N 1 1 620.219 5.278 50 0 KKAAMO CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101255091 554696273 /nfs/dbraw/zinc/69/62/73/554696273.db2.gz NWEQTDHXYUAZCH-YTTGMZPUSA-N 1 1 629.827 5.023 50 0 KKAAMO COc1cc(C[N@@H+]2C[C@@H](c3ccc(F)c(C)c3)C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C2)cc(OC)c1 ZINC000101260296 554697273 /nfs/dbraw/zinc/69/72/73/554697273.db2.gz RMZDPVZMBJRRKO-ZEQRLZLVSA-N 1 1 544.589 6.092 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000101341200 554735535 /nfs/dbraw/zinc/73/55/35/554735535.db2.gz QHXVJVWXUASHAI-SLGOVJDISA-N 1 1 559.757 5.079 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)[C@H](C)C2)cc1 ZINC000101341200 554735538 /nfs/dbraw/zinc/73/55/38/554735538.db2.gz QHXVJVWXUASHAI-SLGOVJDISA-N 1 1 559.757 5.079 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2CCC(=O)NC2CCCCCCC2)CC1 ZINC000101346009 554737442 /nfs/dbraw/zinc/73/74/42/554737442.db2.gz XBLKGSFJFZFTKG-BHBYDHKZSA-N 1 1 547.788 5.112 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2CCC(=O)NC2CCCCCCC2)CC1 ZINC000101346009 554737444 /nfs/dbraw/zinc/73/74/44/554737444.db2.gz XBLKGSFJFZFTKG-BHBYDHKZSA-N 1 1 547.788 5.112 50 0 KKAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3nc(-c4ccccc4)nc(C)c3Cc3cccc(Cl)c3)CC2)cc1 ZINC000101347572 554737535 /nfs/dbraw/zinc/73/75/35/554737535.db2.gz HRMUPVSGKCMRQD-HHHXNRCGSA-N 1 1 559.110 5.267 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372254 554744672 /nfs/dbraw/zinc/74/46/72/554744672.db2.gz MDWPJPZPXSYUDX-BCJTWVECSA-N 1 1 608.689 5.874 50 0 KKAAMO O=C(NCCC[NH+]1CCN(c2ccccc2F)CC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000101372853 554745136 /nfs/dbraw/zinc/74/51/36/554745136.db2.gz VZGKBBFULIXTMS-BCJTWVECSA-N 1 1 624.757 6.587 50 0 KKAAMO COc1ccc(Nc2cc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)c(OC)c1 ZINC000101408083 554762786 /nfs/dbraw/zinc/76/27/86/554762786.db2.gz RYRTZSPOJXYMKA-UHFFFAOYSA-N 1 1 546.071 5.201 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1[S@]2=O)C1CCCCC1 ZINC000101416725 554765841 /nfs/dbraw/zinc/76/58/41/554765841.db2.gz HRLZBIRAMYKGPQ-KDXMTYKHSA-N 1 1 547.696 5.537 50 0 KKAAMO Cc1ccc(CN2c3ccccc3S[C@H]([C@@H](C)C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1 ZINC000101434797 554771842 /nfs/dbraw/zinc/77/18/42/554771842.db2.gz LVCGIHKXKVYFCM-RNWIMVQKSA-N 1 1 563.167 5.230 50 0 KKAAMO CC(=O)Nc1cc(C(=O)NCCC[NH+]2CCN(c3ccccc3F)CC2)ccc1Sc1ccc(Cl)cc1 ZINC000101493405 554786247 /nfs/dbraw/zinc/78/62/47/554786247.db2.gz MJNJNHLOLCBOJG-UHFFFAOYSA-N 1 1 541.092 5.531 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3c(C)noc3/C=C/c3ccc(C)cc3)CC2)o1 ZINC000101492982 554786252 /nfs/dbraw/zinc/78/62/52/554786252.db2.gz UIYNMPKNVMFBPZ-RHHPEKOXSA-N 1 1 594.778 5.536 50 0 KKAAMO CC(=O)Nc1cc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1Sc1ccc(Cl)cc1 ZINC000101493410 554786259 /nfs/dbraw/zinc/78/62/59/554786259.db2.gz AWESSWDKJYTQQA-UHFFFAOYSA-N 1 1 543.520 5.655 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000101502686 554788973 /nfs/dbraw/zinc/78/89/73/554788973.db2.gz ZODSENOKEKNKAW-LUASENJMSA-N 1 1 593.005 5.439 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000101507049 554791021 /nfs/dbraw/zinc/79/10/21/554791021.db2.gz HXCIJUUYCMFXHF-PQDGVMIBSA-N 1 1 567.799 7.368 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101510639 554792338 /nfs/dbraw/zinc/79/23/38/554792338.db2.gz LUAJHQPALGVMFU-RFFSZZMTSA-N 1 1 559.453 5.073 50 0 KKAAMO CCOC(=O)c1ccc(NC(=S)N(CCC[N@@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1 ZINC000101634264 554812469 /nfs/dbraw/zinc/81/24/69/554812469.db2.gz KVWHHUBZHFBJEF-UHFFFAOYSA-N 1 1 581.226 7.220 50 0 KKAAMO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)C2=O)c1 ZINC000101637052 554813374 /nfs/dbraw/zinc/81/33/74/554813374.db2.gz GFNLKZBVYRBIGX-CUFSWWAQSA-N 1 1 553.772 6.773 50 0 KKAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000101637613 554813682 /nfs/dbraw/zinc/81/36/82/554813682.db2.gz VWSFPZLPAFHCAH-HWIUFGAZSA-N 1 1 627.185 6.711 50 0 KKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(-c3cccc(Cl)c3)n2)cc1C ZINC000101658291 554820304 /nfs/dbraw/zinc/82/03/04/554820304.db2.gz SFYCCWUANUOIAM-UHFFFAOYSA-N 1 1 561.129 7.357 50 0 KKAAMO O=C(C[C@H](c1cnc2ccc(Cl)cn21)c1cccc(C(F)(F)F)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101664151 554822363 /nfs/dbraw/zinc/82/23/63/554822363.db2.gz YXRWYOCFGDYGQJ-LJAQVGFWSA-N 1 1 603.088 7.462 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000101683875 554828869 /nfs/dbraw/zinc/82/88/69/554828869.db2.gz BYIPTNZYORIKKE-NBJCSOOUSA-N 1 1 539.075 7.027 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000101683875 554828870 /nfs/dbraw/zinc/82/88/70/554828870.db2.gz BYIPTNZYORIKKE-NBJCSOOUSA-N 1 1 539.075 7.027 50 0 KKAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCCc1ccccn1 ZINC000101761804 554836804 /nfs/dbraw/zinc/83/68/04/554836804.db2.gz SHWZECYJFUEYTJ-FREGXXQWSA-N 1 1 564.149 5.026 50 0 KKAAMO O=C(CC[C@H]1C[N@H+](Cc2ccccc2Cl)CC[C@H]1N1CCN(c2ccccc2F)CC1)NCCc1ccccn1 ZINC000101761804 554836807 /nfs/dbraw/zinc/83/68/07/554836807.db2.gz SHWZECYJFUEYTJ-FREGXXQWSA-N 1 1 564.149 5.026 50 0 KKAAMO C[N@H+](Cc1ccoc1)Cc1cc(-c2csc3ccccc23)ccc1OCC(=O)NCCc1nc2ccccc2[nH]1 ZINC000101801548 554839432 /nfs/dbraw/zinc/83/94/32/554839432.db2.gz JRQFTBZORWNDKR-UHFFFAOYSA-N 1 1 550.684 6.407 50 0 KKAAMO C[N@@H+](Cc1ccoc1)Cc1cc(-c2csc3ccccc23)ccc1OCC(=O)NCCc1nc2ccccc2[nH]1 ZINC000101801548 554839434 /nfs/dbraw/zinc/83/94/34/554839434.db2.gz JRQFTBZORWNDKR-UHFFFAOYSA-N 1 1 550.684 6.407 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000101868611 554845400 /nfs/dbraw/zinc/84/54/00/554845400.db2.gz UVFTVQFAIKVVNK-AJQTZOPKSA-N 1 1 552.763 5.073 50 0 KKAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)N2CCc3ccccc3C2)CC1 ZINC000101868611 554845401 /nfs/dbraw/zinc/84/54/01/554845401.db2.gz UVFTVQFAIKVVNK-AJQTZOPKSA-N 1 1 552.763 5.073 50 0 KKAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H](c2ccccc2)CC1 ZINC000101950863 554853059 /nfs/dbraw/zinc/85/30/59/554853059.db2.gz BKOSAMUFHAUEIF-GDLZYMKVSA-N 1 1 561.730 5.641 50 0 KKAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H](c2ccccc2)CC1 ZINC000101950867 554853088 /nfs/dbraw/zinc/85/30/88/554853088.db2.gz BKOSAMUFHAUEIF-LJAQVGFWSA-N 1 1 561.730 5.641 50 0 KKAAMO COc1cc(C(=O)Oc2cccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)c2)cc(OC)c1OC ZINC000101976004 554862832 /nfs/dbraw/zinc/86/28/32/554862832.db2.gz RUWXTUSZLBGBIT-VWLOTQADSA-N 1 1 537.638 5.189 50 0 KKAAMO CCN1CC[NH+](Cc2ccc(NC(=O)[C@H]3c4ccccc4C(=O)N(C4CCCC4)[C@@H]3c3cccs3)cc2)CC1 ZINC000101979640 554863568 /nfs/dbraw/zinc/86/35/68/554863568.db2.gz YUGIDUUOXHLBSO-XZWHSSHBSA-N 1 1 542.749 5.748 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084841 554876257 /nfs/dbraw/zinc/87/62/57/554876257.db2.gz VNLWYPCISHMONB-MUUNZHRXSA-N 1 1 574.102 7.007 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1Cl ZINC000102084841 554876260 /nfs/dbraw/zinc/87/62/60/554876260.db2.gz VNLWYPCISHMONB-MUUNZHRXSA-N 1 1 574.102 7.007 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@@H](Sc3ncccn3)C[C@H]2C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)c2ccccc12 ZINC000102090178 554877466 /nfs/dbraw/zinc/87/74/66/554877466.db2.gz KXTIGSHWDBDPJJ-UCGGBYDDSA-N 1 1 587.749 6.855 50 0 KKAAMO COc1ccc(C[N@H+]2C[C@@H](Sc3ncccn3)C[C@H]2C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)c2ccccc12 ZINC000102090178 554877468 /nfs/dbraw/zinc/87/74/68/554877468.db2.gz KXTIGSHWDBDPJJ-UCGGBYDDSA-N 1 1 587.749 6.855 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000102096300 554879420 /nfs/dbraw/zinc/87/94/20/554879420.db2.gz LRLFKNQGLFKLBZ-LITSAYRRSA-N 1 1 576.625 8.047 50 0 KKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000102097064 554879762 /nfs/dbraw/zinc/87/97/62/554879762.db2.gz PAOFDPRIIUQEQT-OZXSUGGESA-N 1 1 532.647 7.228 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000102102996 554882093 /nfs/dbraw/zinc/88/20/93/554882093.db2.gz LGSRWZQPSDLOHH-YTTGMZPUSA-N 1 1 553.791 6.598 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CC(C)C)C[C@@H](O)COCc1ccccc1 ZINC000102104406 554882401 /nfs/dbraw/zinc/88/24/01/554882401.db2.gz HMFQKLPQKMUUQF-HHHXNRCGSA-N 1 1 535.635 6.287 50 0 KKAAMO O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000102231259 554900298 /nfs/dbraw/zinc/90/02/98/554900298.db2.gz HOJOIDZRPNIDCC-WJOKGBTCSA-N 1 1 561.553 6.868 50 0 KKAAMO O=C(COc1ccc(-c2ncccn2)cc1C[N@H+]1CCc2ccccc2C1)NCc1ccccc1C(F)(F)F ZINC000102307446 554909469 /nfs/dbraw/zinc/90/94/69/554909469.db2.gz CJAPOWKIAVPTLR-UHFFFAOYSA-N 1 1 532.566 5.416 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCc3ccccc3)C[C@H](COc3ccc4c(c3)CCC4)C2)cc1OC ZINC000102410573 554923315 /nfs/dbraw/zinc/92/33/15/554923315.db2.gz QQQYMCIVVYBTSP-LITSAYRRSA-N 1 1 528.693 5.069 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@H+](Cc2ccc(O)cc2)C1 ZINC000102438259 554928932 /nfs/dbraw/zinc/92/89/32/554928932.db2.gz OTRRAUITISAPCQ-URLMMPGGSA-N 1 1 533.672 5.427 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000102462083 554935262 /nfs/dbraw/zinc/93/52/62/554935262.db2.gz OBRQVTMDICJKFZ-CGVHCUEWSA-N 1 1 574.533 7.506 50 0 KKAAMO COC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(OC)cc2)C[N@@H+](C)CC4)c1 ZINC000102499649 554942194 /nfs/dbraw/zinc/94/21/94/554942194.db2.gz FIHNDERCSDYEMD-MHZLTWQESA-N 1 1 542.661 5.459 50 0 KKAAMO COC(=O)c1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(OC)cc2)C[N@H+](C)CC4)c1 ZINC000102499649 554942196 /nfs/dbraw/zinc/94/21/96/554942196.db2.gz FIHNDERCSDYEMD-MHZLTWQESA-N 1 1 542.661 5.459 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc3c(c2)OCO3)CC[N@H+](C)C4)cc1 ZINC000102499637 554942209 /nfs/dbraw/zinc/94/22/09/554942209.db2.gz LODYCJMUZCMJKL-MHZLTWQESA-N 1 1 528.634 5.401 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc3c(c2)OCO3)CC[N@@H+](C)C4)cc1 ZINC000102499637 554942211 /nfs/dbraw/zinc/94/22/11/554942211.db2.gz LODYCJMUZCMJKL-MHZLTWQESA-N 1 1 528.634 5.401 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000102499763 554942322 /nfs/dbraw/zinc/94/23/22/554942322.db2.gz ONVIARMJAUMGMB-MHZLTWQESA-N 1 1 533.097 6.716 50 0 KKAAMO CCOc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000102499763 554942324 /nfs/dbraw/zinc/94/23/24/554942324.db2.gz ONVIARMJAUMGMB-MHZLTWQESA-N 1 1 533.097 6.716 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c1 ZINC000102500268 554942868 /nfs/dbraw/zinc/94/28/68/554942868.db2.gz KXZBMYMDRJQLNU-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c1 ZINC000102500268 554942870 /nfs/dbraw/zinc/94/28/70/554942870.db2.gz KXZBMYMDRJQLNU-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1cccc(CNC(=O)CC[C@H]2C[N@@H+](CC(C)C)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1OC ZINC000102508321 554945511 /nfs/dbraw/zinc/94/55/11/554945511.db2.gz UHGGRAQDLIQGRB-LBNVMWSVSA-N 1 1 590.731 5.288 50 0 KKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000102588218 554973536 /nfs/dbraw/zinc/97/35/36/554973536.db2.gz DNBQODSTDCIEPN-VAVYLYDRSA-N 1 1 542.617 6.867 50 0 KKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)/C(=C/c2ccccc2)S3)C1 ZINC000102668452 555002217 /nfs/dbraw/zinc/00/22/17/555002217.db2.gz CKDUDHCDIRJFPB-FJXFDBCWSA-N 1 1 543.708 6.358 50 0 KKAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102673868 555003587 /nfs/dbraw/zinc/00/35/87/555003587.db2.gz LMNHSJQJTVBJIC-RQGZQSEYSA-N 1 1 513.597 5.163 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1)C1CCCCC1 ZINC000102779453 555065179 /nfs/dbraw/zinc/06/51/79/555065179.db2.gz XNRQJTFHMVNFKH-DFKUXCBWSA-N 1 1 574.190 7.404 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000102790150 555068800 /nfs/dbraw/zinc/06/88/00/555068800.db2.gz TXWJXCBOIFMYKX-DEOSSOPVSA-N 1 1 563.768 5.102 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000102790102 555068820 /nfs/dbraw/zinc/06/88/20/555068820.db2.gz HKKROTLPSUHRJI-VWLOTQADSA-N 1 1 563.768 5.102 50 0 KKAAMO Cc1cccc(CN2c3cc(C(=O)NCCC[N@H+](C)C4CCCCC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102791999 555069229 /nfs/dbraw/zinc/06/92/29/555069229.db2.gz AFKBYNLPCUGDNZ-JDCMOKTRSA-N 1 1 553.772 7.059 50 0 KKAAMO Cc1cccc(/C=C2/Sc3ccc(C(=O)NCC[NH+]4CCN(c5cccc(C)c5C)CC4)cc3N(C)C2=O)c1 ZINC000102791853 555069293 /nfs/dbraw/zinc/06/92/93/555069293.db2.gz PTCMGCABAMWIBY-TWKHWXDSSA-N 1 1 540.733 5.273 50 0 KKAAMO COc1ccc(-c2cccc(-c3nc(C[N@H+]4CCC[C@@H](CCc5ccc(C(C)(C)C)cc5)C4)cs3)c2)c(OC)c1OC ZINC000102830533 555078528 /nfs/dbraw/zinc/07/85/28/555078528.db2.gz UKRVWVTXEJBPTJ-SANMLTNESA-N 1 1 584.826 8.645 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102840419 555081315 /nfs/dbraw/zinc/08/13/15/555081315.db2.gz CXPDIMBNZQKTGR-WINIVTDRSA-N 1 1 542.532 5.766 50 0 KKAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102841026 555081782 /nfs/dbraw/zinc/08/17/82/555081782.db2.gz DHXNVIYBXYYAHG-SANMLTNESA-N 1 1 528.505 5.377 50 0 KKAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102841026 555081784 /nfs/dbraw/zinc/08/17/84/555081784.db2.gz DHXNVIYBXYYAHG-SANMLTNESA-N 1 1 528.505 5.377 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000102889189 555123202 /nfs/dbraw/zinc/12/32/02/555123202.db2.gz DPJKNKLGQZQEMQ-PUHABZHSSA-N 1 1 553.540 6.013 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000102889189 555123204 /nfs/dbraw/zinc/12/32/04/555123204.db2.gz DPJKNKLGQZQEMQ-PUHABZHSSA-N 1 1 553.540 6.013 50 0 KKAAMO O=C(/C(=C/c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000102939138 555167862 /nfs/dbraw/zinc/16/78/62/555167862.db2.gz HOPABJQSOVRYDN-FDEZRRJOSA-N 1 1 552.693 7.967 50 0 KKAAMO Cc1ccsc1C[N@H+](CCN1CCOCC1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000103032269 555219884 /nfs/dbraw/zinc/21/98/84/555219884.db2.gz BAQXSNJNOIMAJX-UHFFFAOYSA-N 1 1 538.660 5.546 50 0 KKAAMO Cc1ccsc1C[N@@H+](CCN1CCOCC1)Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1 ZINC000103032269 555219888 /nfs/dbraw/zinc/21/98/88/555219888.db2.gz BAQXSNJNOIMAJX-UHFFFAOYSA-N 1 1 538.660 5.546 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@H](O)COc1ccccc1)C[C@H]1CCCO1 ZINC000103061145 555242384 /nfs/dbraw/zinc/24/23/84/555242384.db2.gz DWAXCDXZFAGKQZ-AHKZPQOWSA-N 1 1 545.655 5.787 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@H](O)COc1ccccc1)C[C@H]1CCCO1 ZINC000103061145 555242388 /nfs/dbraw/zinc/24/23/88/555242388.db2.gz DWAXCDXZFAGKQZ-AHKZPQOWSA-N 1 1 545.655 5.787 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1C ZINC000103064953 555245438 /nfs/dbraw/zinc/24/54/38/555245438.db2.gz VKEFOSCWQNXSIT-JGCGQSQUSA-N 1 1 583.817 6.887 50 0 KKAAMO O=C(NCCC[NH+]1CCOCC1)c1csc(CN(CCC(c2ccccc2)c2ccccc2)Cc2ccc(Cl)cc2)n1 ZINC000103080558 555259240 /nfs/dbraw/zinc/25/92/40/555259240.db2.gz GCVXSIQPJGKDPH-UHFFFAOYSA-N 1 1 603.232 6.473 50 0 KKAAMO O=C1C2[C@H](c3ccc(Cl)cc3)N[C@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)[NH2+][C@H]2c1ccc(Cl)cc1 ZINC000103125094 555293250 /nfs/dbraw/zinc/29/32/50/555293250.db2.gz UMRURHBFKPCEAV-FTHDWXFLSA-N 1 1 582.358 8.573 50 0 KKAAMO O=C(c1ccc(Oc2nc(Cc3ccc(F)cc3)ns2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103131173 555300161 /nfs/dbraw/zinc/30/01/61/555300161.db2.gz JTTPZUCZBHVWJC-UHFFFAOYSA-N 1 1 564.686 6.608 50 0 KKAAMO CCn1cc([C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000103192771 555334086 /nfs/dbraw/zinc/33/40/86/555334086.db2.gz AHVNGUCHBCWZEH-WJOKGBTCSA-N 1 1 571.721 6.846 50 0 KKAAMO Cc1ccc2oc(SCc3ccc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3)nc2c1 ZINC000103210270 555339635 /nfs/dbraw/zinc/33/96/35/555339635.db2.gz YORDEKWSJXKQGN-UHFFFAOYSA-N 1 1 533.697 6.976 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000103219961 555340837 /nfs/dbraw/zinc/34/08/37/555340837.db2.gz OIYUTYASRCXJPF-NEEKEDPPSA-N 1 1 552.656 7.844 50 0 KKAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(-c3cccc(Cl)c3)n2)cc1 ZINC000103223112 555341329 /nfs/dbraw/zinc/34/13/29/555341329.db2.gz JGIAOHPVRPFEHC-UHFFFAOYSA-N 1 1 563.101 6.749 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2cc(OC)cc(OC)c2)CC1 ZINC000103267348 555347574 /nfs/dbraw/zinc/34/75/74/555347574.db2.gz HJRRTSKJQFXYEE-PMERELPUSA-N 1 1 541.692 5.402 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308937 555357542 /nfs/dbraw/zinc/35/75/42/555357542.db2.gz SNYJBURTIYPEDF-MCZNPFQCSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308937 555357544 /nfs/dbraw/zinc/35/75/44/555357544.db2.gz SNYJBURTIYPEDF-MCZNPFQCSA-N 1 1 556.062 5.452 50 0 KKAAMO O=C(c1cc2scc(Br)c2n1Cc1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000103350174 555362785 /nfs/dbraw/zinc/36/27/85/555362785.db2.gz XKGHEXUOGYIDOY-UHFFFAOYSA-N 1 1 562.455 6.490 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COCc1ccccc1)CC1CC1 ZINC000103386947 555374350 /nfs/dbraw/zinc/37/43/50/555374350.db2.gz STSPBKQRPXHSAT-MHZLTWQESA-N 1 1 533.619 6.041 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4ccc(C)cc4)n3-c3cccc(Cl)c3)c2)CC1 ZINC000103405359 555391547 /nfs/dbraw/zinc/39/15/47/555391547.db2.gz DNWJTDQYOCMNEX-UHFFFAOYSA-N 1 1 532.113 5.966 50 0 KKAAMO Cc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)Nc5ccc(C(C)C)cc5)CC4)n3c2)c1 ZINC000103427441 555408701 /nfs/dbraw/zinc/40/87/01/555408701.db2.gz VSWQTQOKIYAFLG-UHFFFAOYSA-N 1 1 543.715 7.450 50 0 KKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000103435239 555417682 /nfs/dbraw/zinc/41/76/82/555417682.db2.gz FIKKHZGZLLGDJB-YIXXDRMTSA-N 1 1 533.009 7.264 50 0 KKAAMO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1ccc(Cl)cc1 ZINC000103578614 555451162 /nfs/dbraw/zinc/45/11/62/555451162.db2.gz OCSSPPVRIBPKRC-GJPZQIGFSA-N 1 1 542.120 5.871 50 0 KKAAMO O=C(NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000103727467 555465556 /nfs/dbraw/zinc/46/55/56/555465556.db2.gz WDOSKLSDJSTYEX-WDYNHAJCSA-N 1 1 513.707 5.536 50 0 KKAAMO COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(C=Cc4ccc(C[N@@H+]5C[C@@H](C)O[C@@H](C)C5)cc4)n[nH]c3c1)C(=O)N2 ZINC000145048061 562836882 /nfs/dbraw/zinc/83/68/82/562836882.db2.gz DADASRPKWOGKCU-FVTQAUBDSA-N 1 1 534.660 5.729 50 0 in-vitro KKAAMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000195260649 562871609 /nfs/dbraw/zinc/87/16/09/562871609.db2.gz MYKURCFTIZBVPS-MBHZRMRWSA-N 1 1 574.718 6.089 50 0 KKAAMO O=C(c1cccs1)[C@@H]1C(=C(O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000020502342 571360604 /nfs/dbraw/zinc/36/06/04/571360604.db2.gz HPLJTCMASROIFM-FJUJMQFGSA-N 1 1 502.595 5.730 50 0 KKAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000103899902 571368953 /nfs/dbraw/zinc/36/89/53/571368953.db2.gz ZRXMRYXHPCGGLA-LMSSTIIKSA-N 1 1 529.482 5.414 50 0 KKAAMO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104919816 571387841 /nfs/dbraw/zinc/38/78/41/571387841.db2.gz FQTVRXMMHLCPII-AHKZPQOWSA-N 1 1 511.563 5.067 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984911 571388788 /nfs/dbraw/zinc/38/87/88/571388788.db2.gz MIZTXTUWYORWFL-XZOQPEGZSA-N 1 1 517.428 5.876 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984911 571388789 /nfs/dbraw/zinc/38/87/89/571388789.db2.gz MIZTXTUWYORWFL-XZOQPEGZSA-N 1 1 517.428 5.876 50 0 KKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000105019185 571389394 /nfs/dbraw/zinc/38/93/94/571389394.db2.gz JOXAZIBYPQVCCB-SQHAQQRYSA-N 1 1 510.600 6.127 50 0 KKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)NCc4ccc(F)cc4)cc3[C@@H]2c2ccccc2)c1 ZINC000105022711 571389452 /nfs/dbraw/zinc/38/94/52/571389452.db2.gz SJICJDFQSJIVDR-QNLPTKCRSA-N 1 1 508.637 6.366 50 0 KKAAMO Cc1ccsc1C[N@@H+]1C[C@@H](CN(CC(C)C)C(=O)c2ccc(F)cc2)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000105041837 571390180 /nfs/dbraw/zinc/39/01/80/571390180.db2.gz PAOFDPRIIUQEQT-JYFHCDHNSA-N 1 1 532.647 7.228 50 0 KKAAMO COc1cc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@H](c3ccccc3C)C2)ccc1O ZINC000105041318 571390241 /nfs/dbraw/zinc/39/02/41/571390241.db2.gz SCGLQMVMNRDULQ-FREGXXQWSA-N 1 1 530.684 6.539 50 0 KKAAMO COc1ccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000105042581 571390332 /nfs/dbraw/zinc/39/03/32/571390332.db2.gz DVJQUUTVKFKJNJ-CUBQBAPOSA-N 1 1 528.590 6.620 50 0 KKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000105060828 571390764 /nfs/dbraw/zinc/39/07/64/571390764.db2.gz HNWYPQMPLZHZNV-GJBXTBEHSA-N 1 1 590.809 7.236 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000105061503 571390976 /nfs/dbraw/zinc/39/09/76/571390976.db2.gz SGHUENSJVVOIES-DNOBIOAJSA-N 1 1 575.537 6.296 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000105061836 571391050 /nfs/dbraw/zinc/39/10/50/571391050.db2.gz RGYKOMQVFFEZHE-HRFSGMKKSA-N 1 1 556.559 6.074 50 0 KKAAMO CC(C)[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]12 ZINC000108523091 571426212 /nfs/dbraw/zinc/42/62/12/571426212.db2.gz WRMFJFZIIJJBEM-HNFJUSDZSA-N 1 1 578.978 5.049 50 0 KKAAMO Cc1c(C)c(S(=O)(=O)NC(=[NH2+])NCCC[C@@H](CO)NC(=O)OCC2c3ccccc3-c3ccccc32)c(C)c2c1OC(C)(C)CC2 ZINC000150344358 571459263 /nfs/dbraw/zinc/45/92/63/571459263.db2.gz UAMIBANDUBHNKU-DEOSSOPVSA-N 1 1 648.826 5.198 50 0 KKAAMO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)C2=O)cc1Br ZINC000150387372 571469947 /nfs/dbraw/zinc/46/99/47/571469947.db2.gz HWTJIZBHSANFNM-ZTKZIYFRSA-N 1 1 639.591 5.405 50 0 KKAAMO Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000150388186 571470710 /nfs/dbraw/zinc/47/07/10/571470710.db2.gz RLQOLWURCALFTA-PPOKSSTKSA-N 1 1 641.212 7.020 50 0 KKAAMO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc1 ZINC000150388826 571471205 /nfs/dbraw/zinc/47/12/05/571471205.db2.gz JHOLUTCQGUGQHF-UHFFFAOYSA-N 1 1 672.140 9.668 50 0 KKAAMO COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000150389119 571471568 /nfs/dbraw/zinc/47/15/68/571471568.db2.gz NMCZUXLLAMQMMP-UHFFFAOYSA-N 1 1 676.084 8.043 50 0 KKAAMO COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc(OC)c1OC ZINC000150389112 571471573 /nfs/dbraw/zinc/47/15/73/571471573.db2.gz WJRJFPYONGSDNJ-UHFFFAOYSA-N 1 1 662.057 7.879 50 0 KKAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@H](SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1Cl ZINC000150415442 571485541 /nfs/dbraw/zinc/48/55/41/571485541.db2.gz DHCCQWZJTSWLPK-DIPNUNPCSA-N 1 1 668.259 7.763 50 0 KKAAMO COc1ccc(C(C2C(=O)NC(=S)[C@@H](c3cccc(C)c3)C2=O)C2C(=O)NC(=S)[C@@H](c3cccc(C)c3)C2=O)cc1C[NH+]1CCCCC1 ZINC000150448949 571501736 /nfs/dbraw/zinc/50/17/36/571501736.db2.gz AXEJRFSNHYWKGP-KYJUHHDHSA-N 1 1 681.880 7.310 50 0 KKAAMO COc1ccc(/C=C2/Sc3ccccc3N(CC(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1Br ZINC000150450605 571502465 /nfs/dbraw/zinc/50/24/65/571502465.db2.gz XZFYYXNLEQGPNO-MTDXEUNCSA-N 1 1 642.019 5.529 50 0 KKAAMO COc1ccc(C(C2C(=O)NC(=S)[C@H](c3ccccc3C)C2=O)C2C(=O)NC(=S)[C@H](c3ccccc3C)C2=O)cc1C[NH+]1CCCCC1 ZINC000150623613 571523502 /nfs/dbraw/zinc/52/35/02/571523502.db2.gz LNWDOZXUBGBRET-LOYHVIPDSA-N 1 1 681.880 7.310 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@@H](C)C2)cc1 ZINC000169680892 571557196 /nfs/dbraw/zinc/55/71/96/571557196.db2.gz ZJPJCVLNSHGHBF-PPHZAIPVSA-N 1 1 542.532 5.684 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@@H](C)C2)cc1 ZINC000169680892 571557198 /nfs/dbraw/zinc/55/71/98/571557198.db2.gz ZJPJCVLNSHGHBF-PPHZAIPVSA-N 1 1 542.532 5.684 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000299756060 572134695 /nfs/dbraw/zinc/13/46/95/572134695.db2.gz CDNXMMWDFCLTGZ-BHDXBOSCSA-N 1 1 587.208 6.269 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)Nc2ccc3c(c2)CCC3)CC1 ZINC000299756060 572134698 /nfs/dbraw/zinc/13/46/98/572134698.db2.gz CDNXMMWDFCLTGZ-BHDXBOSCSA-N 1 1 587.208 6.269 50 0 KKAAMO O=C(NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+]1CCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000334163390 572155013 /nfs/dbraw/zinc/15/50/13/572155013.db2.gz ZTIGETXRUUDAMY-FQEVSTJZSA-N 1 1 508.338 5.690 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229633997 572158520 /nfs/dbraw/zinc/15/85/20/572158520.db2.gz LHADHGYKPBKRIF-RTXLYREFSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000229633997 572158525 /nfs/dbraw/zinc/15/85/25/572158525.db2.gz LHADHGYKPBKRIF-RTXLYREFSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000229997219 572177090 /nfs/dbraw/zinc/17/70/90/572177090.db2.gz NZTUBLJDNCPHMP-IZJWOVIGSA-N 1 1 555.634 5.852 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000230082852 572182786 /nfs/dbraw/zinc/18/27/86/572182786.db2.gz HKMJGNJJAWSOOT-VUGUGDOLSA-N 1 1 541.047 6.302 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000230082852 572182791 /nfs/dbraw/zinc/18/27/91/572182791.db2.gz HKMJGNJJAWSOOT-VUGUGDOLSA-N 1 1 541.047 6.302 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000230082825 572182912 /nfs/dbraw/zinc/18/29/12/572182912.db2.gz BYIPTNZYORIKKE-WOXYUUSFSA-N 1 1 539.075 7.027 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000230082825 572182914 /nfs/dbraw/zinc/18/29/14/572182914.db2.gz BYIPTNZYORIKKE-WOXYUUSFSA-N 1 1 539.075 7.027 50 0 KKAAMO CCCC[N@@H+](CCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077057 572182954 /nfs/dbraw/zinc/18/29/54/572182954.db2.gz ALWRIKVPWYIDRQ-SVBPBHIXSA-N 1 1 507.700 5.696 50 0 KKAAMO CC[C@H](C)[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)Cc1ccco1 ZINC000230077052 572182987 /nfs/dbraw/zinc/18/29/87/572182987.db2.gz FJAIBEYEPBUOIH-FAQZDJIUSA-N 1 1 521.727 6.085 50 0 KKAAMO COC(=O)C[C@H]([NH2+][C@@H]1C(C)=C(C)C(=O)N1C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@H]12)c1ccc(C)cc1C ZINC000239174342 572191406 /nfs/dbraw/zinc/19/14/06/572191406.db2.gz PUQWQRQRAFROSL-BDWVQZKOSA-N 1 1 584.845 7.836 50 0 KKAAMO COC(=O)C[C@H]([NH2+][C@@H]1C(C)=C(C)C(=O)N1C[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12)c1ccc(C)cc1C ZINC000239174344 572191439 /nfs/dbraw/zinc/19/14/39/572191439.db2.gz PUQWQRQRAFROSL-OPLXKBQMSA-N 1 1 584.845 7.836 50 0 KKAAMO CC(C)N1CC[NH+](CCN(C)c2ccc([C@H]3CC[C@H](N(C)C(=O)c4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000241707117 572196911 /nfs/dbraw/zinc/19/69/11/572196911.db2.gz QMTAXHPFLIXOPD-UAHYGDRYSA-N 1 1 511.154 5.601 50 0 KKAAMO CCOc1cc2c(cc1OCC)[C@@H]1[C@@H](C(=O)NCCC[N@H+]3CCCC[C@H]3CC)c3ccccc3C(=O)N1CC2 ZINC000245234913 572209847 /nfs/dbraw/zinc/20/98/47/572209847.db2.gz GGWTWTKBWQQGBO-GOQOSDJISA-N 1 1 533.713 5.092 50 0 KKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@H]1CCCO1 ZINC000245281244 572224794 /nfs/dbraw/zinc/22/47/94/572224794.db2.gz WPDHQPMIUOUXAW-AZGAKELHSA-N 1 1 511.638 5.033 50 0 KKAAMO Cc1ccc(C(=O)N2CCCN(C(=O)[C@H](C)[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000245289978 572226230 /nfs/dbraw/zinc/22/62/30/572226230.db2.gz GLOXOEOMNNNGES-NEKDWFFYSA-N 1 1 501.696 5.076 50 0 KKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)C[C@H]1C ZINC000245327889 572234484 /nfs/dbraw/zinc/23/44/84/572234484.db2.gz KVPAGDBGALSPGE-RZIGYZOXSA-N 1 1 513.723 5.501 50 0 KKAAMO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000245343750 572239895 /nfs/dbraw/zinc/23/98/95/572239895.db2.gz YPZPBBXTFUQNMT-MPZGHSIBSA-N 1 1 525.023 6.450 50 0 KKAAMO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000245343750 572239896 /nfs/dbraw/zinc/23/98/96/572239896.db2.gz YPZPBBXTFUQNMT-MPZGHSIBSA-N 1 1 525.023 6.450 50 0 KKAAMO O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459528 572242193 /nfs/dbraw/zinc/24/21/93/572242193.db2.gz AIWYYYCARYHFNE-KRWDZBQOSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1cccc(Cl)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247480475 572242602 /nfs/dbraw/zinc/24/26/02/572242602.db2.gz ITFCHYHPQDLCQM-GOSISDBHSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1cccc2ccccc21)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247724475 572243700 /nfs/dbraw/zinc/24/37/00/572243700.db2.gz CLLWSCYJXFXQIC-JOCHJYFZSA-N 1 1 539.477 6.792 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247725604 572243825 /nfs/dbraw/zinc/24/38/25/572243825.db2.gz DFAIJVICVRTTAU-SFHVURJKSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247737805 572243970 /nfs/dbraw/zinc/24/39/70/572243970.db2.gz LVJJGECIKPXQRE-SFHVURJKSA-N 1 1 557.414 6.658 50 0 KKAAMO O=C(Nc1cccc2ccccc21)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247733983 572244041 /nfs/dbraw/zinc/24/40/41/572244041.db2.gz JFAVCQHVTIVVNU-UHFFFAOYSA-N 1 1 539.477 6.792 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247734159 572244089 /nfs/dbraw/zinc/24/40/89/572244089.db2.gz JRWHFSAXCAYLPH-SFHVURJKSA-N 1 1 557.414 6.658 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247740681 572244176 /nfs/dbraw/zinc/24/41/76/572244176.db2.gz NLCULVGISUPKDD-QGZVFWFLSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247731531 572244235 /nfs/dbraw/zinc/24/42/35/572244235.db2.gz HYZDJZNAWVBNPJ-KRWDZBQOSA-N 1 1 525.397 5.917 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247731531 572244237 /nfs/dbraw/zinc/24/42/37/572244237.db2.gz HYZDJZNAWVBNPJ-KRWDZBQOSA-N 1 1 525.397 5.917 50 0 KKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247736032 572244247 /nfs/dbraw/zinc/24/42/47/572244247.db2.gz KWZDVWCEMZJFDE-RUZDIDTESA-N 1 1 595.541 7.218 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247741025 572244254 /nfs/dbraw/zinc/24/42/54/572244254.db2.gz NYOSVKCAOFCZRC-SFHVURJKSA-N 1 1 557.414 6.658 50 0 KKAAMO O=C(Nc1ccccc1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247744040 572244445 /nfs/dbraw/zinc/24/44/45/572244445.db2.gz PNGLQQSVNUALDV-SFHVURJKSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247744959 572244452 /nfs/dbraw/zinc/24/44/52/572244452.db2.gz QCBXARDIEARGET-UHFFFAOYSA-N 1 1 595.541 7.218 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1Cl)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247743026 572244513 /nfs/dbraw/zinc/24/45/13/572244513.db2.gz PDRMMLUQCLBGKF-UHFFFAOYSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754550 572244635 /nfs/dbraw/zinc/24/46/35/572244635.db2.gz WFLCYMVAZHQCRY-GOSISDBHSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000247791915 572245015 /nfs/dbraw/zinc/24/50/15/572245015.db2.gz ALLWJGHUUGIOFP-UHFFFAOYSA-N 1 1 655.424 6.291 50 0 KKAAMO O=C(c1ccc(F)cc1)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000247794237 572245055 /nfs/dbraw/zinc/24/50/55/572245055.db2.gz BTKBKZILBDBJJW-UHFFFAOYSA-N 1 1 604.524 5.124 50 0 KKAAMO O=C(c1ccc(F)cc1)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247794132 572245100 /nfs/dbraw/zinc/24/51/00/572245100.db2.gz BPOVVMXACUNIOC-HSZRJFAPSA-N 1 1 604.524 5.124 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247807911 572245367 /nfs/dbraw/zinc/24/53/67/572245367.db2.gz CISIYSQRBAOILC-AREMUKBSSA-N 1 1 547.187 7.444 50 0 KKAAMO Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247860886 572246604 /nfs/dbraw/zinc/24/66/04/572246604.db2.gz GDKDCEAUVKOTPW-RUZDIDTESA-N 1 1 525.672 5.342 50 0 KKAAMO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247859889 572246627 /nfs/dbraw/zinc/24/66/27/572246627.db2.gz FLEKPJOCEPAEQM-OAQYLSRUSA-N 1 1 517.471 6.256 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247870093 572247087 /nfs/dbraw/zinc/24/70/87/572247087.db2.gz QIBNJGTUTNXQHB-DEOSSOPVSA-N 1 1 596.097 6.318 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247871053 572247161 /nfs/dbraw/zinc/24/71/61/572247161.db2.gz QUAFEYCFHWNILI-QFIPXVFZSA-N 1 1 565.615 5.744 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247870033 572247250 /nfs/dbraw/zinc/24/72/50/572247250.db2.gz QGBGEQOZWYJNTC-UHFFFAOYSA-N 1 1 532.063 5.379 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247869313 572247261 /nfs/dbraw/zinc/24/72/61/572247261.db2.gz QCZVVRHAUQNQQT-SSEXGKCCSA-N 1 1 587.743 6.310 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247874535 572247401 /nfs/dbraw/zinc/24/74/01/572247401.db2.gz GMSWFSPBGHZSCQ-VWLOTQADSA-N 1 1 558.126 5.307 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247873980 572247476 /nfs/dbraw/zinc/24/74/76/572247476.db2.gz SCSWAYGEDOQAPB-UHFFFAOYSA-N 1 1 592.969 6.002 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247877045 572247961 /nfs/dbraw/zinc/24/79/61/572247961.db2.gz UKNDYFJDGAXMEF-JOCHJYFZSA-N 1 1 532.063 5.379 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(F)c(Cl)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247882236 572248060 /nfs/dbraw/zinc/24/80/60/572248060.db2.gz JHTFZAGYGKWYPI-DEOSSOPVSA-N 1 1 576.116 5.447 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)NCCc4ccc(Cl)cc4)C3)nc3ccccc32)cc1 ZINC000247878478 572248080 /nfs/dbraw/zinc/24/80/80/572248080.db2.gz IBVMIDJIPGWYKT-DEOSSOPVSA-N 1 1 517.073 5.318 50 0 KKAAMO O=C(c1ccccc1Cl)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000247882414 572248329 /nfs/dbraw/zinc/24/83/29/572248329.db2.gz VYEARQDPWYDSJJ-UHFFFAOYSA-N 1 1 620.979 5.638 50 0 KKAAMO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1 ZINC000247895495 572248737 /nfs/dbraw/zinc/24/87/37/572248737.db2.gz XFXKCKRXMMGOGZ-VWLOTQADSA-N 1 1 525.672 5.342 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(Cl)cc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247893376 572248782 /nfs/dbraw/zinc/24/87/82/572248782.db2.gz NKLBMGNVHHFVTA-DEOSSOPVSA-N 1 1 592.571 5.961 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5c(C)cccc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247915270 572249233 /nfs/dbraw/zinc/24/92/33/572249233.db2.gz VYPKDGLTJNNFAF-NDEPHWFRSA-N 1 1 551.735 5.271 50 0 KKAAMO COc1ccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)cc1 ZINC000247921507 572249552 /nfs/dbraw/zinc/24/95/52/572249552.db2.gz XUDAYJMTMXPOLY-HSZRJFAPSA-N 1 1 503.046 5.275 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)NCc4ccc(Cl)cc4)C3)nc3ccccc32)cc1 ZINC000247921601 572249681 /nfs/dbraw/zinc/24/96/81/572249681.db2.gz XWVQYWPILDAPAJ-HSZRJFAPSA-N 1 1 503.046 5.275 50 0 KKAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247939341 572249822 /nfs/dbraw/zinc/24/98/22/572249822.db2.gz OXOWYCXGJMAYHO-QFIPXVFZSA-N 1 1 655.424 6.291 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cc(OC)cc(OC)c3)C[C@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000247940475 572249905 /nfs/dbraw/zinc/24/99/05/572249905.db2.gz NEKMJQLHAZFCCA-QCDSWUKFSA-N 1 1 506.618 5.116 50 0 KKAAMO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247961122 572250907 /nfs/dbraw/zinc/25/09/07/572250907.db2.gz XQWFUADVZLRHBE-JOCHJYFZSA-N 1 1 620.979 5.638 50 0 KKAAMO Cc1cccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)c1 ZINC000248009471 572252212 /nfs/dbraw/zinc/25/22/12/572252212.db2.gz WZKWGDCVRBVPOE-UHFFFAOYSA-N 1 1 503.444 5.947 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000248075807 572253124 /nfs/dbraw/zinc/25/31/24/572253124.db2.gz ZYUXEJIHMGZJNZ-TVNKHIRZSA-N 1 1 534.015 5.508 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@]12C(=O)Nc1ccccc12 ZINC000248075807 572253125 /nfs/dbraw/zinc/25/31/25/572253125.db2.gz ZYUXEJIHMGZJNZ-TVNKHIRZSA-N 1 1 534.015 5.508 50 0 KKAAMO Cc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000248078168 572253240 /nfs/dbraw/zinc/25/32/40/572253240.db2.gz BVVSMJLUCDJMKA-UHFFFAOYSA-N 1 1 572.551 5.657 50 0 KKAAMO CC[C@H](C(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248104960 572253668 /nfs/dbraw/zinc/25/36/68/572253668.db2.gz QLBLTERBNPVWOT-MQRABVPWSA-N 1 1 529.750 5.647 50 0 KKAAMO CCc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)[N@H+]3CCc4sccc4[C@H]3c3ccccc3C)CC2)cc1 ZINC000248112817 572253707 /nfs/dbraw/zinc/25/37/07/572253707.db2.gz TWMAHXODAVPQFG-RNWIMVQKSA-N 1 1 515.723 5.330 50 0 KKAAMO Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248108431 572253717 /nfs/dbraw/zinc/25/37/17/572253717.db2.gz MNFCGMDFUWCTHJ-XMMPIXPASA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248114879 572253957 /nfs/dbraw/zinc/25/39/57/572253957.db2.gz UMDXQFSJIDKGJV-BHBYDHKZSA-N 1 1 501.114 7.339 50 0 KKAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1C ZINC000248122171 572254220 /nfs/dbraw/zinc/25/42/20/572254220.db2.gz VNIMQRWFVKVZEZ-NRFANRHFSA-N 1 1 517.471 6.256 50 0 KKAAMO Cc1cccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000248122135 572254225 /nfs/dbraw/zinc/25/42/25/572254225.db2.gz VMDRETHVBJPCLJ-HSZRJFAPSA-N 1 1 531.498 5.667 50 0 KKAAMO COc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000248135154 572254847 /nfs/dbraw/zinc/25/48/47/572254847.db2.gz MRTNEICWICFGGT-UHFFFAOYSA-N 1 1 588.550 5.357 50 0 KKAAMO COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)c(OC)c1 ZINC000248142888 572255247 /nfs/dbraw/zinc/25/52/47/572255247.db2.gz QTOLMJJMCLDIKN-MXMCVKMKSA-N 1 1 586.644 5.694 50 0 KKAAMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248139793 572255264 /nfs/dbraw/zinc/25/52/64/572255264.db2.gz QUENYTKDWSSOIW-LJQANCHMSA-N 1 1 519.443 5.647 50 0 KKAAMO Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248144748 572255379 /nfs/dbraw/zinc/25/53/79/572255379.db2.gz HDLBPUWGPQQXGX-QFIPXVFZSA-N 1 1 517.471 5.625 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248245133 572257002 /nfs/dbraw/zinc/25/70/02/572257002.db2.gz QDWKNZACXBCBPP-NAKRPHOHSA-N 1 1 562.598 7.738 50 0 KKAAMO COc1cc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc(OC)c1OC ZINC000248250203 572257089 /nfs/dbraw/zinc/25/70/89/572257089.db2.gz IPGGCZWBQGQORS-UBQPBEJKSA-N 1 1 566.654 5.426 50 0 KKAAMO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4ccc(Cl)cc4N4CC[N@@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248289868 572257750 /nfs/dbraw/zinc/25/77/50/572257750.db2.gz KDGHVVLSQKCCOI-IZEXYCQBSA-N 1 1 543.067 5.173 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000248327583 572258036 /nfs/dbraw/zinc/25/80/36/572258036.db2.gz AHFNMMAQBICXPE-BANVDVKSSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000248327583 572258037 /nfs/dbraw/zinc/25/80/37/572258037.db2.gz AHFNMMAQBICXPE-BANVDVKSSA-N 1 1 556.062 5.452 50 0 KKAAMO C[C@@H]1CC[C@@H]2[N@@H+](C1)C[C@@H]1[C@@H]3C[C@@H]4[C@H](CC(=O)[C@@H]5C[C@H](OC(=O)c6ccccc6)CC[C@]45C)[C@@H]3CC[C@@H]1[C@]2(C)O ZINC000248327861 572258056 /nfs/dbraw/zinc/25/80/56/572258056.db2.gz AQGKXMYBXMXQKH-UDHHWMKWSA-N 1 1 533.753 5.751 50 0 KKAAMO CCn1c(C[N@H+]2CCC[C@H](C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)C2)nc2ccccc21 ZINC000249692763 572258840 /nfs/dbraw/zinc/25/88/40/572258840.db2.gz MZKBTWWZHPSQAJ-NDEPHWFRSA-N 1 1 521.709 5.202 50 0 KKAAMO CCc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000251999692 572259687 /nfs/dbraw/zinc/25/96/87/572259687.db2.gz LZQIFCGKZBBXAW-MHZLTWQESA-N 1 1 556.154 5.861 50 0 KKAAMO CCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000251979310 572259712 /nfs/dbraw/zinc/25/97/12/572259712.db2.gz FKUUBVMKHXGVTQ-NRFANRHFSA-N 1 1 517.471 6.201 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000251984037 572259718 /nfs/dbraw/zinc/25/97/18/572259718.db2.gz GTNQFPSPBDTSOO-VWLOTQADSA-N 1 1 586.578 5.911 50 0 KKAAMO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000252013962 572259895 /nfs/dbraw/zinc/25/98/95/572259895.db2.gz UQNVPDTYVMDFBI-RUZDIDTESA-N 1 1 525.672 5.288 50 0 KKAAMO CCc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)CC1 ZINC000252021453 572259932 /nfs/dbraw/zinc/25/99/32/572259932.db2.gz YQXYHCFNRYCZPD-UHFFFAOYSA-N 1 1 586.578 5.911 50 0 KKAAMO CC(C)c1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000252370327 572260191 /nfs/dbraw/zinc/26/01/91/572260191.db2.gz XNRXEFIYPDBAQT-QFIPXVFZSA-N 1 1 531.498 6.762 50 0 KKAAMO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000252370521 572260255 /nfs/dbraw/zinc/26/02/55/572260255.db2.gz YDQYBSGQBJBFSV-OAQYLSRUSA-N 1 1 531.498 6.762 50 0 KKAAMO C[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(Cl)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252585641 572264766 /nfs/dbraw/zinc/26/47/66/572264766.db2.gz KBLHILREQNVSSP-LBULEFPHSA-N 1 1 625.597 5.054 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000252587101 572265893 /nfs/dbraw/zinc/26/58/93/572265893.db2.gz VPZSVEGKGKSXKT-IHPMYELASA-N 1 1 604.836 5.105 50 0 KKAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252587518 572266255 /nfs/dbraw/zinc/26/62/55/572266255.db2.gz YWMBPVDTEHODPQ-GWKPCNLLSA-N 1 1 639.624 5.444 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc(F)cc3)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000253373354 572282220 /nfs/dbraw/zinc/28/22/20/572282220.db2.gz INUYKDTWZDTVGN-HXLKRRFRSA-N 1 1 572.636 6.596 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000253388991 572283163 /nfs/dbraw/zinc/28/31/63/572283163.db2.gz QFHVEBHURJSVJE-LYZGTLIUSA-N 1 1 520.674 5.298 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]14C)[N@H+](C)CC3)OCO2 ZINC000253499447 572293606 /nfs/dbraw/zinc/29/36/06/572293606.db2.gz HFVXXBWONQVENR-ZQZQQINZSA-N 1 1 535.725 5.852 50 0 KKAAMO COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC[C@@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]14C)[N@@H+](C)CC3)OCO2 ZINC000253499447 572293607 /nfs/dbraw/zinc/29/36/07/572293607.db2.gz HFVXXBWONQVENR-ZQZQQINZSA-N 1 1 535.725 5.852 50 0 KKAAMO CC(C)c1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000253607384 572300867 /nfs/dbraw/zinc/30/08/67/572300867.db2.gz QOEODTKETNPUOP-UHFFFAOYSA-N 1 1 539.699 5.849 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000253607295 572300875 /nfs/dbraw/zinc/30/08/75/572300875.db2.gz JFTFMJBDKCHXTK-LJAQVGFWSA-N 1 1 565.762 5.607 50 0 KKAAMO CC(C)c1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4cccc(Br)c4)CC3)CC2)cc1 ZINC000253607228 572300903 /nfs/dbraw/zinc/30/09/03/572300903.db2.gz FFXZDMQYDIJYON-UHFFFAOYSA-N 1 1 600.605 6.472 50 0 KKAAMO CCCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000253607217 572300923 /nfs/dbraw/zinc/30/09/23/572300923.db2.gz CAUSFYGABPVROI-JOCHJYFZSA-N 1 1 531.498 6.591 50 0 KKAAMO CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000253607392 572300966 /nfs/dbraw/zinc/30/09/66/572300966.db2.gz QUVHGMSQBNXAKF-RUZDIDTESA-N 1 1 539.699 5.849 50 0 KKAAMO CCCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000253607548 572301040 /nfs/dbraw/zinc/30/10/40/572301040.db2.gz WCEWYHQHGVRDEW-QFIPXVFZSA-N 1 1 531.498 6.591 50 0 KKAAMO CCC[C@@H]1C[C@@H](C(=O)N[C@H]([C@H](C)OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H]2O[C@H](SC)[C@H](O)[C@@H]3O[C@H](c4ccc(OC)cc4)O[C@@H]32)[N@@H+](C)C1 ZINC000257359385 572322175 /nfs/dbraw/zinc/32/21/75/572322175.db2.gz ZXIDTTGVCKUJNE-UKINDIFNSA-N 1 1 767.001 6.929 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000409414750 1069811358 /nfs/dbraw/zinc/81/13/58/1069811358.db2.gz WIPTXFZRGNBGPD-BVKYAAJPSA-N 1 1 572.750 5.101 50 0 KKAAMO Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NCCc3cccc(F)c3)[N@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)n1 ZINC000101922167 1069823539 /nfs/dbraw/zinc/82/35/39/1069823539.db2.gz BTCGHOIXDZWODT-IZEXYCQBSA-N 1 1 552.719 5.898 50 0 KKAAMO Cc1cc(C)nc(S[C@H]2C[C@@H](C(=O)NCCc3cccc(F)c3)[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)n1 ZINC000101922167 1069823568 /nfs/dbraw/zinc/82/35/68/1069823568.db2.gz BTCGHOIXDZWODT-IZEXYCQBSA-N 1 1 552.719 5.898 50 0 KKAAMO COc1ccc(C[N@H+]2C[C@@H](Sc3ccc(F)cc3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc12 ZINC000102130040 1069843794 /nfs/dbraw/zinc/84/37/94/1069843794.db2.gz AGMKEARLIPHVTN-HVNZXBJASA-N 1 1 573.709 6.211 50 0 KKAAMO COc1cc(OC)cc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)c1 ZINC000102261928 1069852968 /nfs/dbraw/zinc/85/29/68/1069852968.db2.gz FDFZUZKWPMKAAJ-LJAQVGFWSA-N 1 1 553.703 6.348 50 0 KKAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@H]1CCCCN1C(=O)c1csc(C)n1 ZINC000102539165 1069859534 /nfs/dbraw/zinc/85/95/34/1069859534.db2.gz CCUUHHJOOMQHLR-AREMUKBSSA-N 1 1 552.716 5.385 50 0 KKAAMO COc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3cccc(C[N@@H+](C)Cc4cccc5ccccc54)c3)CC2)c1 ZINC000102698456 1069863061 /nfs/dbraw/zinc/86/30/61/1069863061.db2.gz IQHUJALONCWZNF-UHFFFAOYSA-N 1 1 560.716 5.721 50 0 KKAAMO O=C(COc1ccc(-c2ncccn2)cc1C[N@H+]1CCc2ccccc2C1)NCc1cc2ccccc2s1 ZINC000023506297 1070604687 /nfs/dbraw/zinc/60/46/87/1070604687.db2.gz OITLCXFGLLRPFZ-UHFFFAOYSA-N 1 1 520.658 5.612 50 0 KKAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583647611 1070952533 /nfs/dbraw/zinc/95/25/33/1070952533.db2.gz RHNIPZDOWWMUPQ-WNJJXGMVSA-N 1 1 546.708 5.531 50 0 KKAAMO CCOC(=O)c1c2c(sc1Nc1nc3ccccc3nc1N1CC[NH+](C/C=C\c3ccccc3)CC1)CCCC2 ZINC000103005599 1070972044 /nfs/dbraw/zinc/97/20/44/1070972044.db2.gz XQNCTFGRNAMGDP-RAXLEYEMSA-N 1 1 553.732 6.326 50 0 KKAAMO CC(C)n1cc(CN2CCC[N@@H+](Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC2)c2ccccc21 ZINC000257179192 1070974051 /nfs/dbraw/zinc/97/40/51/1070974051.db2.gz CKUKQQNJIARHJA-WJOKGBTCSA-N 1 1 509.698 5.573 50 0 KKAAMO CC(C)n1cc(C[N@@H+]2CCCN(Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC2)c2ccccc21 ZINC000257179192 1070974064 /nfs/dbraw/zinc/97/40/64/1070974064.db2.gz CKUKQQNJIARHJA-WJOKGBTCSA-N 1 1 509.698 5.573 50 0 KKAAMO CC(C)n1cc(C[N@H+]2CCCN(Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC2)c2ccccc21 ZINC000257179192 1070974080 /nfs/dbraw/zinc/97/40/80/1070974080.db2.gz CKUKQQNJIARHJA-WJOKGBTCSA-N 1 1 509.698 5.573 50 0 KKAAMO COc1ccc(Cl)cc1N=[P@@]1(N2CC[NH+](C)CC2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 ZINC000102939958 1070977688 /nfs/dbraw/zinc/97/76/88/1070977688.db2.gz DFICBGRZGLMMSC-HTEZTGDWSA-N 1 1 575.097 7.404 50 0 KKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCc2cccc3ccccc32)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000199305829 1071136404 /nfs/dbraw/zinc/13/64/04/1071136404.db2.gz KWOQSHGUZLBVQR-XZWHSSHBSA-N 1 1 545.658 6.525 50 0 KKAAMO COc1ccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@@H+](C)Cc3cccc4cccnc43)c2)cc1 ZINC000011881536 1071233042 /nfs/dbraw/zinc/23/30/42/1071233042.db2.gz JPWBERJMXKUKJK-GDLZYMKVSA-N 1 1 523.677 6.339 50 0 KKAAMO CCCOc1ccc(C[N@@H+]2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCn2cc(nn2)CO4)cc1CO ZINC000952862502 1071297662 /nfs/dbraw/zinc/29/76/62/1071297662.db2.gz AFVYAJZWVBAEJD-JGCGQSQUSA-N 1 1 540.664 5.068 50 0 KKAAMO CCCOc1ccc(C[N@H+]2CCc3cc4ccc3[C@H]2c2cccc(c2)OCCCn2cc(nn2)CO4)cc1CO ZINC000952862502 1071297673 /nfs/dbraw/zinc/29/76/73/1071297673.db2.gz AFVYAJZWVBAEJD-JGCGQSQUSA-N 1 1 540.664 5.068 50 0 KKAAMO Cc1oc2c(cc3c(C)c(CC(=O)NC[C@@H]4CCC[N@H+]5CCCC[C@H]45)c(=O)oc3c2C)c1-c1ccccc1 ZINC000827847634 1071340075 /nfs/dbraw/zinc/34/00/75/1071340075.db2.gz DFDBBLRKAKHCGR-WNCULLNHSA-N 1 1 512.650 6.055 50 0 KKAAMO COC(=O)c1c(C)c(C)sc1Nc1nc2ccccc2nc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000034736663 1072825078 /nfs/dbraw/zinc/82/50/78/1072825078.db2.gz CYHASLJEAYUTTD-XFXZXTDPSA-N 1 1 513.667 5.674 50 0 KKAAMO Cc1cccc(C=c2sc(=C(C#N)C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(-c3ccc(Cl)cc3Cl)c2=O)c1 ZINC000254486393 1072857909 /nfs/dbraw/zinc/85/79/09/1072857909.db2.gz XGPALGYZCAZNPD-UHFFFAOYSA-N 1 1 665.646 5.951 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2cccc(F)c2)c(=O)n1-c1ccccc1C(F)(F)F ZINC000254791813 1072879462 /nfs/dbraw/zinc/87/94/62/1072879462.db2.gz VLVHZWXBGATYPY-UHFFFAOYSA-N 1 1 668.716 5.494 50 0 KKAAMO 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COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2cc(Br)ccc2OC)cc1 ZINC000002249319 551800878 /nfs/dbraw/zinc/80/08/78/551800878.db2.gz JRPXZAYVUKWIJZ-DQEYMECFSA-N 1 1 517.383 5.271 50 0 KKAAMO Clc1ccc(-c2csc3ncnc(N4CC[NH+]([C@@H](c5ccccc5)c5ccc(Cl)cc5)CC4)c23)cc1 ZINC000002319968 552093857 /nfs/dbraw/zinc/09/38/57/552093857.db2.gz BYGYFKJZFRCTBK-MHZLTWQESA-N 1 1 531.512 7.577 50 0 KKAAMO COC(=O)c1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2Cl)N2NC=NC2=[NH+]3)cc1 ZINC000002916819 552217751 /nfs/dbraw/zinc/21/77/51/552217751.db2.gz ZSLGNXDKVPFTKK-ZEQRLZLVSA-N 1 1 505.361 5.584 50 0 KKAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](CC)C3)cc1 ZINC000003007093 552254765 /nfs/dbraw/zinc/25/47/65/552254765.db2.gz AYCAQIZBUICWNG-UHFFFAOYSA-N 1 1 582.817 6.466 50 0 KKAAMO CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](CC)C3)cc1 ZINC000003007093 552254767 /nfs/dbraw/zinc/25/47/67/552254767.db2.gz AYCAQIZBUICWNG-UHFFFAOYSA-N 1 1 582.817 6.466 50 0 KKAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CC[N@@H+](C(C)C)C2 ZINC000003007170 552254905 /nfs/dbraw/zinc/25/49/05/552254905.db2.gz PKDSWKZELCXASZ-UHFFFAOYSA-N 1 1 567.733 5.085 50 0 KKAAMO CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)sc2c1CC[N@H+](C(C)C)C2 ZINC000003007170 552254909 /nfs/dbraw/zinc/25/49/09/552254909.db2.gz PKDSWKZELCXASZ-UHFFFAOYSA-N 1 1 567.733 5.085 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000003007223 552255281 /nfs/dbraw/zinc/25/52/81/552255281.db2.gz AEANCNZQPUDKIW-UHFFFAOYSA-N 1 1 566.774 5.828 50 0 KKAAMO FC(F)(F)c1cccc(OCC[N@@H+](CCNc2ncc(C(F)(F)F)cc2Cl)Cc2ccc(Cl)cc2)c1 ZINC000003050222 552277071 /nfs/dbraw/zinc/27/70/71/552277071.db2.gz UDBUOXMBEKDMAW-UHFFFAOYSA-N 1 1 552.346 7.419 50 0 KKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000003063535 552284171 /nfs/dbraw/zinc/28/41/71/552284171.db2.gz VOLQPJGYRMSMKB-UHFFFAOYSA-N 1 1 554.112 5.185 50 0 KKAAMO FC(F)(F)c1cccc(N2CCN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCC5)CC2)c1 ZINC000003299303 552345138 /nfs/dbraw/zinc/34/51/38/552345138.db2.gz HADZRYKKKQRUKO-UHFFFAOYSA-N 1 1 501.622 5.511 50 0 KKAAMO CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1nc(C[NH+]2CCCCC2)nc2sc3c(c21)CCCC3 ZINC000003380272 552378208 /nfs/dbraw/zinc/37/82/08/552378208.db2.gz CBDBVHYQUDFMPF-UHFFFAOYSA-N 1 1 552.066 6.303 50 0 KKAAMO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[N@H+](C)Cc4ccccc4)cc3)C2=O)cc1 ZINC000003586701 552391732 /nfs/dbraw/zinc/39/17/32/552391732.db2.gz IQEUMANJVAMWKF-WEMUVCOSSA-N 1 1 531.656 5.824 50 0 KKAAMO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+](C)Cc4ccccc4)cc3)C2=O)cc1 ZINC000003586753 552391761 /nfs/dbraw/zinc/39/17/61/552391761.db2.gz XDRJTWVHSFGAEC-GZZLJNBRSA-N 1 1 545.683 6.214 50 0 KKAAMO CC(C)C[C@@H](C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(C)(C)C)[N@@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC000003941150 552423104 /nfs/dbraw/zinc/42/31/04/552423104.db2.gz GCDHMGROXQUFNR-HEVIKAOCSA-N 1 1 599.860 7.052 50 0 in-vivo KKAAMO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc1 ZINC000006166821 552556933 /nfs/dbraw/zinc/55/69/33/552556933.db2.gz ZGAWATYVYMLNGT-UHFFFAOYSA-N 1 1 595.614 7.681 50 0 KKAAMO Cc1ccc(Oc2c(=O)c3ccc(OC(=O)c4ccc(Cl)cc4)c(C[NH+]4CCC(C)CC4)c3oc2C(F)(F)F)cc1C ZINC000006166841 552557266 /nfs/dbraw/zinc/55/72/66/552557266.db2.gz PVODHQRWTWMVAC-UHFFFAOYSA-N 1 1 600.033 8.325 50 0 KKAAMO CC(C)c1ccc(NS(=O)(=O)c2ccc3ncc(C(=O)NCC[N@@H+](Cc4ccccc4)C(C)C)c(O)c3c2)cc1 ZINC000006181475 552562227 /nfs/dbraw/zinc/56/22/27/552562227.db2.gz CGQJNWXYHJHLKU-UHFFFAOYSA-N 1 1 560.720 5.093 50 0 KKAAMO O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008446307 553055525 /nfs/dbraw/zinc/05/55/25/553055525.db2.gz DQHDGELLMVANID-UHFFFAOYSA-N 1 1 548.634 6.188 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)N(Cc2c(F)cccc2Cl)C(=O)c2ccccc2S3)CC1 ZINC000008595320 553088733 /nfs/dbraw/zinc/08/87/33/553088733.db2.gz YTRPBBQDFNAZSG-UHFFFAOYSA-N 1 1 510.034 5.568 50 0 KKAAMO C[NH+]1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(C(F)(F)F)cc2)C(=O)c2ccccc2S3)CC1 ZINC000008595371 553088877 /nfs/dbraw/zinc/08/88/77/553088877.db2.gz PXCIHLBUHNLVQN-UHFFFAOYSA-N 1 1 511.569 5.405 50 0 KKAAMO CCc1ccc(-c2nc(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)C3)c(C)o2)cc1 ZINC000008597798 553094061 /nfs/dbraw/zinc/09/40/61/553094061.db2.gz IZGZWVVFFWOPDG-RUZDIDTESA-N 1 1 521.105 5.735 50 0 KKAAMO Cc1ccc(-n2ncc(C(=O)NCC[N@@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000008597754 553094129 /nfs/dbraw/zinc/09/41/29/553094129.db2.gz LBEPDBUTICIIJH-UHFFFAOYSA-N 1 1 557.739 5.392 50 0 KKAAMO Cc1ccc(-n2ncc(C(=O)NCC[N@H+]3CCc4ccccc4C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 ZINC000008597754 553094132 /nfs/dbraw/zinc/09/41/32/553094132.db2.gz LBEPDBUTICIIJH-UHFFFAOYSA-N 1 1 557.739 5.392 50 0 KKAAMO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008711952 553126200 /nfs/dbraw/zinc/12/62/00/553126200.db2.gz FTRAAJXBEKTOQE-BDYUSTAISA-N 1 1 614.499 7.398 50 0 KKAAMO O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1C=C([O-])NC(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)=[NH+]1 ZINC000008758116 553136987 /nfs/dbraw/zinc/13/69/87/553136987.db2.gz WHYOLHMHHAKDIO-PMERELPUSA-N 1 1 559.670 5.069 50 0 KKAAMO C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000008918641 553188518 /nfs/dbraw/zinc/18/85/18/553188518.db2.gz KOJBRAJOHGAIBN-QZTJIDSGSA-N 1 1 502.124 6.618 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@@H](C(C)(C)C)C2 ZINC000008918641 553188521 /nfs/dbraw/zinc/18/85/21/553188521.db2.gz KOJBRAJOHGAIBN-QZTJIDSGSA-N 1 1 502.124 6.618 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000008927613 553191776 /nfs/dbraw/zinc/19/17/76/553191776.db2.gz AJSIBJJWQSSBCN-VWLOTQADSA-N 1 1 503.668 6.460 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc2)N3)C1 ZINC000008927615 553192093 /nfs/dbraw/zinc/19/20/93/553192093.db2.gz AJSIBJJWQSSBCN-RUZDIDTESA-N 1 1 503.668 6.460 50 0 KKAAMO CCOC(=O)c1cc(CC)sc1Nc1nc2ccccc2nc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000009236443 553225605 /nfs/dbraw/zinc/22/56/05/553225605.db2.gz QPMIMUBFZKYWCX-JLHYYAGUSA-N 1 1 527.694 6.009 50 0 KKAAMO C[NH+]1CCN(C(=O)c2cccc(Nc3nc4ccc(Br)cc4c(-c4ccccc4)n3)c2)CC1 ZINC000009368701 553249569 /nfs/dbraw/zinc/24/95/69/553249569.db2.gz URDGRCJYRNJVJT-UHFFFAOYSA-N 1 1 502.416 5.191 50 0 KKAAMO CCOc1ccc(CN2c3cc(C(=O)NCC[N@H+]4CCCC[C@H]4C)ccc3Sc3ccccc3C2=O)cc1 ZINC000009678497 553295547 /nfs/dbraw/zinc/29/55/47/553295547.db2.gz VQEQGQVUOIRMSH-JOCHJYFZSA-N 1 1 529.706 6.001 50 0 KKAAMO O=C(CSc1c2cc(Cl)ccc2nc2c1CCCC2)NCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000009693756 553298849 /nfs/dbraw/zinc/29/88/49/553298849.db2.gz MYXILQXQCJESRQ-UHFFFAOYSA-N 1 1 527.109 5.327 50 0 KKAAMO Cc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000010493568 553337429 /nfs/dbraw/zinc/33/74/29/553337429.db2.gz WNXIBYUKLVEINZ-VMPITWQZSA-N 1 1 511.979 6.212 50 0 KKAAMO O=C(c1ccccc1C(F)(F)F)N1CCC(Oc2cccc(C[NH+]3CCN(c4ccccn4)CC3)c2)CC1 ZINC000011789141 553343072 /nfs/dbraw/zinc/34/30/72/553343072.db2.gz CDBPZROSRZBVOO-UHFFFAOYSA-N 1 1 524.587 5.106 50 0 KKAAMO COc1ccccc1[C@H]1CC(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)=NN1C(=O)C[NH+]1CCCCC1 ZINC000011852337 553344781 /nfs/dbraw/zinc/34/47/81/553344781.db2.gz UYMSULHNICAGTG-HHHXNRCGSA-N 1 1 555.078 6.021 50 0 KKAAMO COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)=NN1C(=O)C[NH+]1CCCCC1 ZINC000011852336 553344866 /nfs/dbraw/zinc/34/48/66/553344866.db2.gz UYMSULHNICAGTG-MHZLTWQESA-N 1 1 555.078 6.021 50 0 KKAAMO C[N@@H+](Cc1ccc(OC2CCN(S(=O)(=O)c3cccc(C(F)(F)F)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000012039692 553350380 /nfs/dbraw/zinc/35/03/80/553350380.db2.gz XVLKNTPHTFYZQT-UHFFFAOYSA-N 1 1 569.649 6.118 50 0 KKAAMO Cc1ccc(C(=O)N2CCCC[C@@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)s1 ZINC000012122246 553351729 /nfs/dbraw/zinc/35/17/29/553351729.db2.gz OSCPQBYIUOGDAM-HHHXNRCGSA-N 1 1 513.707 6.701 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(C(=O)c3cn4ccccc4n3)CC2)cc1 ZINC000012157522 553352997 /nfs/dbraw/zinc/35/29/97/553352997.db2.gz WTCLHJUMKJFFTF-UHFFFAOYSA-N 1 1 510.663 5.865 50 0 KKAAMO COc1cc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@H+]2CCC[C@@H](C)C2)cc(OC)c1 ZINC000012160900 553353041 /nfs/dbraw/zinc/35/30/41/553353041.db2.gz KRJCZDPVYAAWCR-OAQYLSRUSA-N 1 1 532.637 5.027 50 0 KKAAMO Cc1noc(C)c1S(=O)(=O)N1CCC(Oc2ccc(C[N@@H+](C)Cc3cc4ccccc4s3)cc2)CC1 ZINC000012208164 553354103 /nfs/dbraw/zinc/35/41/03/553354103.db2.gz GFONMSGSVSWZJI-UHFFFAOYSA-N 1 1 525.696 5.370 50 0 KKAAMO C[C@@H](c1cccs1)N1C(=O)c2cccc(N3CC[NH+](Cc4ccc(OC(F)(F)F)cc4)CC3)c2C1=O ZINC000012217935 553354372 /nfs/dbraw/zinc/35/43/72/553354372.db2.gz LPMHPHROUUHJRR-KRWDZBQOSA-N 1 1 515.557 5.326 50 0 KKAAMO O=C(c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012559050 553393961 /nfs/dbraw/zinc/39/39/61/553393961.db2.gz BJGSJCRBOATIPJ-UHFFFAOYSA-N 1 1 516.620 6.226 50 0 KKAAMO Brc1ccc(-c2nc3ccccc3c(SC[C@H]3C[N@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000012633654 553406121 /nfs/dbraw/zinc/40/61/21/553406121.db2.gz AFWQYOUZDASDGD-JOCHJYFZSA-N 1 1 506.469 6.052 50 0 KKAAMO Brc1ccc(-c2nc3ccccc3c(SC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)n2)cc1 ZINC000012633654 553406124 /nfs/dbraw/zinc/40/61/24/553406124.db2.gz AFWQYOUZDASDGD-JOCHJYFZSA-N 1 1 506.469 6.052 50 0 KKAAMO COC(=O)c1cccc(NC(=O)Nc2c(C(C)C)cccc2C(C)C)c1C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000012856610 553422387 /nfs/dbraw/zinc/42/23/87/553422387.db2.gz ZFZLVIBFIHFSGC-UHFFFAOYSA-N 1 1 541.736 7.819 50 0 KKAAMO O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012959621 553430578 /nfs/dbraw/zinc/43/05/78/553430578.db2.gz GEPTZROAKUKJOY-UHFFFAOYSA-N 1 1 543.033 5.904 50 0 KKAAMO C[N@@H+](Cc1cccc(OC2CCN(C(=O)c3cnn4cccnc34)CC2)c1)Cc1cccc2ccccc21 ZINC000014960362 553522688 /nfs/dbraw/zinc/52/26/88/553522688.db2.gz OPNOBNLRUBJIGQ-UHFFFAOYSA-N 1 1 505.622 5.198 50 0 KKAAMO Cc1cc(C)n(CC(=O)N2CCC[C@H](COc3ccc(C[N@H+](C)Cc4cccc5ccccc54)cc3)C2)n1 ZINC000014995850 553524384 /nfs/dbraw/zinc/52/43/84/553524384.db2.gz XUBHJZLRKMJSAM-MHZLTWQESA-N 1 1 510.682 5.603 50 0 KKAAMO CC[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000015946788 553544889 /nfs/dbraw/zinc/54/48/89/553544889.db2.gz FQXCPZMUDHXOQY-RXVVDRJESA-N 1 1 516.151 7.008 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CC[C@H](C(C)(C)C)C2 ZINC000015946788 553544892 /nfs/dbraw/zinc/54/48/92/553544892.db2.gz FQXCPZMUDHXOQY-RXVVDRJESA-N 1 1 516.151 7.008 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4cccc5ccccc54)c(OC)c2)N3)C1 ZINC000015947151 553545165 /nfs/dbraw/zinc/54/51/65/553545165.db2.gz HGTFWVYNDIUXQM-SANMLTNESA-N 1 1 513.619 5.936 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000015947044 553545198 /nfs/dbraw/zinc/54/51/98/553545198.db2.gz RAEGGGVRFWEYEI-QHCPKHFHSA-N 1 1 512.031 5.825 50 0 KKAAMO O=C1N[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)Nc2sc3c(c21)CC[N@@H+](Cc1ccccc1)C3 ZINC000015947336 553545325 /nfs/dbraw/zinc/54/53/25/553545325.db2.gz PQWAKSWHWKWPRE-DEOSSOPVSA-N 1 1 509.553 7.014 50 0 KKAAMO O=C1N[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)Nc2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000015947336 553545326 /nfs/dbraw/zinc/54/53/26/553545326.db2.gz PQWAKSWHWKWPRE-DEOSSOPVSA-N 1 1 509.553 7.014 50 0 KKAAMO CCN(CC)CC(=O)Nc1c(C)cc(C(C)(C)c2cc(C)c(NC(=O)C[NH+](CC)CC)c(C)c2)cc1C ZINC000016676170 553571706 /nfs/dbraw/zinc/57/17/06/553571706.db2.gz HVXULJIETUICAG-UHFFFAOYSA-N 1 1 508.751 5.807 50 0 KKAAMO CC1=C2C[C@@H]3[C@H](C[N@H+]4CC[C@H](c5ccc(F)cc5)[C@H](COc5ccc6c(c5)OCO6)C4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000070687335 553606709 /nfs/dbraw/zinc/60/67/09/553606709.db2.gz JGPPKNUAZRWESR-ISDVHYKUSA-N 1 1 561.694 6.497 50 0 biogenic KKAAMO CC[NH+]1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(C(F)(F)F)cc2)C(=O)c2ccccc2S3)CC1 ZINC000020211695 553611228 /nfs/dbraw/zinc/61/12/28/553611228.db2.gz QMYVKIJAQLMQID-UHFFFAOYSA-N 1 1 525.596 5.795 50 0 KKAAMO Ic1ccccc1C[NH2+][C@@H]1C2CCN(CC2)[C@@H]1C(c1ccccc1)c1ccccc1 ZINC000019364273 553613884 /nfs/dbraw/zinc/61/38/84/553613884.db2.gz WSLTYZVXORBNLB-KAYWLYCHSA-N 1 1 508.447 5.676 50 0 in-vitro KKAAMO C[C@@H](c1cc(Cl)ccc1Sc1ccc(Cl)c(Cl)c1)[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000019801973 553617598 /nfs/dbraw/zinc/61/75/98/553617598.db2.gz ZHBZMXGYDSCGCY-INIZCTEOSA-N 1 1 512.333 8.335 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(CC)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070700046 553617675 /nfs/dbraw/zinc/61/76/75/553617675.db2.gz CRERHORROZTATG-RQGZQSEYSA-N 1 1 535.644 5.052 50 0 biogenic KKAAMO CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(=O)CC[N@@H+]5C[C@H](C)C[C@H](C)C5)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000070701227 553621154 /nfs/dbraw/zinc/62/11/54/553621154.db2.gz CPJHDWYZEVQMHG-FQUZMCFVSA-N 1 1 553.784 6.286 50 0 biogenic KKAAMO COc1ccccc1C(=O)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020274761 553630688 /nfs/dbraw/zinc/63/06/88/553630688.db2.gz QOCRJOVNYQJABS-UHFFFAOYSA-N 1 1 505.618 5.495 50 0 KKAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1 ZINC000020355161 553640779 /nfs/dbraw/zinc/64/07/79/553640779.db2.gz WZUPHEDXXYWDIW-SIBAOGJBSA-N 1 1 525.718 6.198 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)cc3)C2=O)c1 ZINC000020355316 553641441 /nfs/dbraw/zinc/64/14/41/553641441.db2.gz VQVDDNZEEQLZSR-XGQZYHQRSA-N 1 1 537.704 6.345 50 0 KKAAMO Cc1ccc(-c2nc3ccccc3c(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2C)cc1 ZINC000020368377 553643570 /nfs/dbraw/zinc/64/35/70/553643570.db2.gz RLAKMVAGENJNEW-UHFFFAOYSA-N 1 1 511.669 7.066 50 0 KKAAMO CC(C)CC[C@H](NC(=O)Nc1ccc(Br)cc1)c1c2c(sc1-n1cccc1)C[N@H+](C)CC2 ZINC000020386597 553644061 /nfs/dbraw/zinc/64/40/61/553644061.db2.gz BUBPACAMFNRYID-NRFANRHFSA-N 1 1 515.521 6.588 50 0 KKAAMO Cc1cc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)ccc1Br ZINC000020386614 553644077 /nfs/dbraw/zinc/64/40/77/553644077.db2.gz VJRIEKKGGXLZFL-JOCHJYFZSA-N 1 1 529.548 6.897 50 0 KKAAMO CC[C@H](NC(=O)Nc1cc(Cl)c(OC)cc1OC)c1c2c(sc1-n1cccc1)C[N@H+](CC)CC2 ZINC000020386546 553644133 /nfs/dbraw/zinc/64/41/33/553644133.db2.gz WBFFGWZLLSMJCY-SFHVURJKSA-N 1 1 503.068 5.860 50 0 KKAAMO COc1cc(NC(=O)N[C@H](CCC(C)C)c2c3c(sc2-n2cccc2)C[N@H+](C)CC3)cc(OC)c1OC ZINC000020386607 553644162 /nfs/dbraw/zinc/64/41/62/553644162.db2.gz NIIMPCVNCFEEPU-OAQYLSRUSA-N 1 1 526.703 5.852 50 0 KKAAMO c1ccc(-c2oc3ncn4nc(CC[N@H+]5CCCC[C@H]5c5cccnc5)nc4c3c2-c2ccccc2)cc1 ZINC000020437267 553648629 /nfs/dbraw/zinc/64/86/29/553648629.db2.gz VMUNPUZYQPNZMA-VWLOTQADSA-N 1 1 500.606 6.369 50 0 KKAAMO C[N@@H+](CCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)CCc1ccccc1 ZINC000020727072 553690698 /nfs/dbraw/zinc/69/06/98/553690698.db2.gz IGBKOHIFZOHQJE-XHPQRKPJSA-N 1 1 506.071 5.111 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020727895 553691001 /nfs/dbraw/zinc/69/10/01/553691001.db2.gz CCDKHTHZGUTIQZ-VYUMYAIBSA-N 1 1 531.644 5.956 50 0 KKAAMO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)C2=O)cc1 ZINC000020732139 553692126 /nfs/dbraw/zinc/69/21/26/553692126.db2.gz KCEVTJFTUATZRX-CUFSWWAQSA-N 1 1 537.704 6.060 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(/C=C3\Oc4ccccc4N(Cc4ccc(Cl)cc4)C3=O)cc2)CC1 ZINC000020733729 553693007 /nfs/dbraw/zinc/69/30/07/553693007.db2.gz CJLFMSUJAMWAQF-DIBXZPPDSA-N 1 1 502.014 5.084 50 0 KKAAMO Cc1cccc(NC(=S)N(CCC[N@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)c1C ZINC000020733215 553693028 /nfs/dbraw/zinc/69/30/28/553693028.db2.gz DMFNEUDJRGPFOG-UHFFFAOYSA-N 1 1 537.217 7.660 50 0 KKAAMO CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000020828890 553698947 /nfs/dbraw/zinc/69/89/47/553698947.db2.gz RZTXQEZFAIRZMF-UHFFFAOYSA-N 1 1 519.736 6.687 50 0 KKAAMO CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000020828890 553698948 /nfs/dbraw/zinc/69/89/48/553698948.db2.gz RZTXQEZFAIRZMF-UHFFFAOYSA-N 1 1 519.736 6.687 50 0 KKAAMO Cc1nc(N2CCCCC2)cc(Nc2ccc(NS(=O)(=O)c3cccc(Br)c3)cc2)[nH+]1 ZINC000021795792 553716791 /nfs/dbraw/zinc/71/67/91/553716791.db2.gz NMJZYALGIVEMHM-UHFFFAOYSA-N 1 1 502.438 5.082 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000021796539 553717026 /nfs/dbraw/zinc/71/70/26/553717026.db2.gz MWBDTEVVAHBBET-UHFFFAOYSA-N 1 1 507.569 5.198 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 ZINC000021796577 553717053 /nfs/dbraw/zinc/71/70/53/553717053.db2.gz FXHMKDNBMSBYRK-UHFFFAOYSA-N 1 1 521.596 5.588 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3F)CC2)cc1 ZINC000021796586 553717071 /nfs/dbraw/zinc/71/70/71/553717071.db2.gz KYJJWJKBMZKXOU-UHFFFAOYSA-N 1 1 521.596 5.588 50 0 KKAAMO CCOC(=O)c1c(NC(=O)CNC[C@@H](c2ccccc2)[NH+](C)C)sc(Br)c1-c1ccccc1 ZINC000022037693 553723251 /nfs/dbraw/zinc/72/32/51/553723251.db2.gz JDWXXGVRTHXOHP-IBGZPJMESA-N 1 1 530.488 5.185 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)C4CCCC4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000096277333 553733999 /nfs/dbraw/zinc/73/39/99/553733999.db2.gz BABVLZYDLDZNAW-UHFFFAOYSA-N 1 1 514.714 5.894 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)CC(C)C)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000096277315 553734015 /nfs/dbraw/zinc/73/40/15/553734015.db2.gz BGXINNUGGYIVEK-UHFFFAOYSA-N 1 1 502.703 5.749 50 0 KKAAMO COc1cc(NC(=O)Nc2ccc(N3CCC[N@@H+](Cc4cccc(C(F)(F)F)c4)CC3)nc2)cc(OC)c1 ZINC000096281051 553737117 /nfs/dbraw/zinc/73/71/17/553737117.db2.gz SRMFYIIEZVCGJX-UHFFFAOYSA-N 1 1 529.563 5.474 50 0 KKAAMO O=C(C1CCC1)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000096289537 553741755 /nfs/dbraw/zinc/74/17/55/553741755.db2.gz RAXYTNGCCBRINO-UHFFFAOYSA-N 1 1 518.583 6.131 50 0 KKAAMO CC[NH+]1CCN(C(=O)CCc2c(-c3ccc(OC)cc3)nc3ccc(-c4ccc(Cl)cc4C)cn32)CC1 ZINC000096292087 553745572 /nfs/dbraw/zinc/74/55/72/553745572.db2.gz VQISDZKZVVZVSM-UHFFFAOYSA-N 1 1 517.073 5.735 50 0 KKAAMO CO[C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3c(-c4ccc(C)cc4)nc4ccc(-c5cccc(C)c5)cn43)CC2)C1 ZINC000096293676 553746951 /nfs/dbraw/zinc/74/69/51/553746951.db2.gz WCTUIDQDTYCUFZ-JDXGNMNLSA-N 1 1 536.720 6.135 50 0 KKAAMO O=C(COc1ccccc1)OCCN1CC[NH+]([C@@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000096316536 553749510 /nfs/dbraw/zinc/74/95/10/553749510.db2.gz UMEUVBACWNKQTN-RUZDIDTESA-N 1 1 509.071 5.328 50 0 KKAAMO O=C(Cc1cccs1)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2 ZINC000022714516 553749869 /nfs/dbraw/zinc/74/98/69/553749869.db2.gz ZOFIYKLBBYYUCH-UHFFFAOYSA-N 1 1 501.702 6.826 50 0 KKAAMO O=C(Cc1cccs1)Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2 ZINC000022714516 553749874 /nfs/dbraw/zinc/74/98/74/553749874.db2.gz ZOFIYKLBBYYUCH-UHFFFAOYSA-N 1 1 501.702 6.826 50 0 KKAAMO Fc1ccc(SCC[NH+]2CCN([C@@H]3Cc4ccc(Cl)cc4Sc4ccc(Cl)cc43)CC2)cc1 ZINC000096568858 553755871 /nfs/dbraw/zinc/75/58/71/553755871.db2.gz ARVDREFVZCWDFV-XMMPIXPASA-N 1 1 519.538 7.291 50 0 KKAAMO CC(C)[N@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N2CCCCCC2)C1 ZINC000023340413 553774491 /nfs/dbraw/zinc/77/44/91/553774491.db2.gz NHUFYGSJORTTSR-JYFHCDHNSA-N 1 1 508.673 5.109 50 0 KKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cc(Cl)ccc3n2)c(C)c1 ZINC000097947918 553789782 /nfs/dbraw/zinc/78/97/82/553789782.db2.gz WGOTZMMGOBPBNM-UHFFFAOYSA-N 1 1 546.114 7.719 50 0 KKAAMO CC1=NN(c2ccccc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000025184571 553805814 /nfs/dbraw/zinc/80/58/14/553805814.db2.gz SAVSFDPMZIGHSU-IAPPQJPRSA-N 1 1 515.455 5.105 50 0 KKAAMO CCOC(=O)[C@@H]([NH3+])C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000025782739 553813816 /nfs/dbraw/zinc/81/38/16/553813816.db2.gz IRXUOCSUSVKRCQ-SANMLTNESA-N 1 1 525.774 7.310 50 0 KKAAMO Cc1ccc(C(=O)Oc2ccc3c(c2OC(=O)c2ccc(C)cc2)-c2cccc4c2[C@@H](C3)[N@@H+](C)CC4)cc1 ZINC000027472964 553825973 /nfs/dbraw/zinc/82/59/73/553825973.db2.gz MPXVMWCGUBXTFN-HHHXNRCGSA-N 1 1 503.598 6.494 50 0 biogenic KKAAMO Cc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)NCc3ccccc3)cc2)n1 ZINC000097956391 553838441 /nfs/dbraw/zinc/83/84/41/553838441.db2.gz FRQKMNGIJXKRQC-MDWZMJQESA-N 1 1 549.744 5.843 50 0 KKAAMO O=C(c1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000097956373 553838515 /nfs/dbraw/zinc/83/85/15/553838515.db2.gz NJVONCZIKFWOAW-OOAXWGSJSA-N 1 1 529.637 5.063 50 0 KKAAMO Cc1nc(SCc2cccc(C(=O)NC[C@H]3CCCO3)c2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097956411 553838836 /nfs/dbraw/zinc/83/88/36/553838836.db2.gz VROTZRCRXINVAK-XKDNJIINSA-N 1 1 557.764 5.130 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(CSc3nc(C)c(C)c(N4CC[NH+](C/C=C/c5ccccc5)CC4)n3)cc2)C1 ZINC000097956428 553838838 /nfs/dbraw/zinc/83/88/38/553838838.db2.gz JUDOYJRKFIVWBY-RXLFLEQRSA-N 1 1 613.828 5.636 50 0 KKAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccc(C(F)(F)F)cc4)C3=O)cc2)CC1 ZINC000097956458 553839029 /nfs/dbraw/zinc/83/90/29/553839029.db2.gz YLTVQLDYAUUHQP-OSWZSTQVSA-N 1 1 579.644 6.461 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000030726936 553855605 /nfs/dbraw/zinc/85/56/05/553855605.db2.gz UUURWWVPMHAACP-KYJUHHDHSA-N 1 1 622.762 7.162 50 0 in-vitro KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000030726936 553855609 /nfs/dbraw/zinc/85/56/09/553855609.db2.gz UUURWWVPMHAACP-KYJUHHDHSA-N 1 1 622.762 7.162 50 0 in-vitro KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000097963378 553889296 /nfs/dbraw/zinc/88/92/96/553889296.db2.gz HSLUACCNHXWHGJ-UHFFFAOYSA-N 1 1 596.844 6.856 50 0 KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000097963378 553889299 /nfs/dbraw/zinc/88/92/99/553889299.db2.gz HSLUACCNHXWHGJ-UHFFFAOYSA-N 1 1 596.844 6.856 50 0 KKAAMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](C)C4)cc2)C1 ZINC000097963385 553889361 /nfs/dbraw/zinc/88/93/61/553889361.db2.gz GGJXJJRUZMHFQS-GOSISDBHSA-N 1 1 566.774 5.686 50 0 KKAAMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](C)C4)cc2)C1 ZINC000097963385 553889363 /nfs/dbraw/zinc/88/93/63/553889363.db2.gz GGJXJJRUZMHFQS-GOSISDBHSA-N 1 1 566.774 5.686 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963401 553889774 /nfs/dbraw/zinc/88/97/74/553889774.db2.gz VXJMMVMAJMWODK-UHFFFAOYSA-N 1 1 610.871 6.958 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963401 553889775 /nfs/dbraw/zinc/88/97/75/553889775.db2.gz VXJMMVMAJMWODK-UHFFFAOYSA-N 1 1 610.871 6.958 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963409 553889779 /nfs/dbraw/zinc/88/97/79/553889779.db2.gz MYZXQQGEHUVDNF-IBGZPJMESA-N 1 1 580.801 6.218 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963409 553889781 /nfs/dbraw/zinc/88/97/81/553889781.db2.gz MYZXQQGEHUVDNF-IBGZPJMESA-N 1 1 580.801 6.218 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963430 553890189 /nfs/dbraw/zinc/89/01/89/553890189.db2.gz INBUEUSYEPYDCJ-HXUWFJFHSA-N 1 1 594.828 6.464 50 0 KKAAMO COc1ccc(C[N@@H+](Cc2ccccc2)Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)cc1OC ZINC000033268838 553919393 /nfs/dbraw/zinc/91/93/93/553919393.db2.gz BMEBWCUPWAYGPS-UHFFFAOYSA-N 1 1 515.610 5.782 50 0 KKAAMO COc1ccc(C[N@H+](Cc2ccccc2)Cc2cc(=O)n3c(-c4ccc(F)cc4)csc3n2)cc1OC ZINC000033268838 553919387 /nfs/dbraw/zinc/91/93/87/553919387.db2.gz BMEBWCUPWAYGPS-UHFFFAOYSA-N 1 1 515.610 5.782 50 0 KKAAMO C[NH+]1CCN(CC(=O)N2N=C(c3c(=O)[nH]c4ccc(Br)cc4c3-c3ccccc3)C[C@H]2c2ccc(Br)cc2)CC1 ZINC000033353004 553922453 /nfs/dbraw/zinc/92/24/53/553922453.db2.gz DYUQDLLUBTXFML-MHZLTWQESA-N 1 1 663.414 5.645 50 0 KKAAMO COc1ccc([C@H]2CC(=O)c3cnc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)nc3C2)cc1OC ZINC000033353721 553926820 /nfs/dbraw/zinc/92/68/20/553926820.db2.gz VWLFHHMAHZDCFS-AREMUKBSSA-N 1 1 534.660 5.318 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000033357273 553947566 /nfs/dbraw/zinc/94/75/66/553947566.db2.gz AFENDXGDVAFBSC-OMLWRBBXSA-N 1 1 541.047 6.302 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000033357273 553947569 /nfs/dbraw/zinc/94/75/69/553947569.db2.gz AFENDXGDVAFBSC-OMLWRBBXSA-N 1 1 541.047 6.302 50 0 KKAAMO O=C(c1cnn2c1N[C@@H](c1ccc(Br)cc1)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033358583 553956892 /nfs/dbraw/zinc/95/68/92/553956892.db2.gz KPVXDWJIGIZDFC-SXOMAYOGSA-N 1 1 624.505 6.853 50 0 KKAAMO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)c1ccccc1 ZINC000033435671 553959766 /nfs/dbraw/zinc/95/97/66/553959766.db2.gz REMYYYICRNOILH-DCABOPQKSA-N 1 1 507.675 5.218 50 0 KKAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1cccc(F)c1 ZINC000034667500 553982077 /nfs/dbraw/zinc/98/20/77/553982077.db2.gz SATOUCTXMHIPQA-UVDDSOTQSA-N 1 1 512.600 6.196 50 0 KKAAMO C[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1cccc(F)c1 ZINC000034667500 553982073 /nfs/dbraw/zinc/98/20/73/553982073.db2.gz SATOUCTXMHIPQA-UVDDSOTQSA-N 1 1 512.600 6.196 50 0 KKAAMO C[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1cccc(F)c1 ZINC000034667502 553982149 /nfs/dbraw/zinc/98/21/49/553982149.db2.gz SATOUCTXMHIPQA-JPZYQRIQSA-N 1 1 512.600 6.196 50 0 KKAAMO C[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1cccc(F)c1 ZINC000034667502 553982153 /nfs/dbraw/zinc/98/21/53/553982153.db2.gz SATOUCTXMHIPQA-JPZYQRIQSA-N 1 1 512.600 6.196 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccc1 ZINC000034671667 553982373 /nfs/dbraw/zinc/98/23/73/553982373.db2.gz PQQHCQBBIKIGRA-CZNDPXEESA-N 1 1 504.674 6.617 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(C)c1 ZINC000034671785 553982437 /nfs/dbraw/zinc/98/24/37/553982437.db2.gz NUKYPGXWXORPRV-KKLWWLSJSA-N 1 1 518.701 6.925 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671770 553982506 /nfs/dbraw/zinc/98/25/06/553982506.db2.gz OMRZNGCHKCPVCX-JHOUSYSJSA-N 1 1 522.664 6.756 50 0 KKAAMO O=C(Nc1ccc(N2CCC[N@H+](Cc3cccc(C(F)(F)F)c3)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681770 553985130 /nfs/dbraw/zinc/98/51/30/553985130.db2.gz IMLYHHJYGHPXBH-UHFFFAOYSA-N 1 1 522.493 6.084 50 0 KKAAMO COc1ccc(N(C2CC[NH+](Cc3ccccc3Cl)CC2)S(=O)(=O)c2ccc(F)cc2)cc1OC ZINC000034683745 553985834 /nfs/dbraw/zinc/98/58/34/553985834.db2.gz OQODTPWUNPLLMQ-UHFFFAOYSA-N 1 1 519.038 5.356 50 0 KKAAMO COc1ccc(C[NH+]2CCC(N(C(=O)c3cccc(Cl)c3)c3ccc(F)cc3)CC2)c(OC)c1OC ZINC000034683591 553986024 /nfs/dbraw/zinc/98/60/24/553986024.db2.gz VRFIGCSTJIKLKB-UHFFFAOYSA-N 1 1 513.009 5.816 50 0 KKAAMO Cc1cccc(S(=O)(=O)N(c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3C(F)(F)F)CC2)c1 ZINC000034683932 553986286 /nfs/dbraw/zinc/98/62/86/553986286.db2.gz JMWURMVVVOBRDC-UHFFFAOYSA-N 1 1 506.565 6.013 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccnc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699125 553992060 /nfs/dbraw/zinc/99/20/60/553992060.db2.gz QBHQFXCSRWJHIQ-SHQCIBLASA-N 1 1 513.579 6.254 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034699119 553992071 /nfs/dbraw/zinc/99/20/71/553992071.db2.gz CNTXCCWOMMLYHD-HOFKKMOUSA-N 1 1 516.579 6.760 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034699140 553992486 /nfs/dbraw/zinc/99/24/86/553992486.db2.gz WHJKGIFSNRYXGY-LBNVMWSVSA-N 1 1 512.616 6.929 50 0 KKAAMO CC(C)N(C[C@@H]1C[N@@H+](C[C@H](O)Cc2ccccc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000034699380 553992664 /nfs/dbraw/zinc/99/26/64/553992664.db2.gz DPQWSEXWSCVMDM-WIIGKZCBSA-N 1 1 524.627 5.875 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000034704162 553993389 /nfs/dbraw/zinc/99/33/89/553993389.db2.gz PWBYGGLCHNBEJX-VBQVRTRESA-N 1 1 516.641 5.974 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000034704162 553993392 /nfs/dbraw/zinc/99/33/92/553993392.db2.gz PWBYGGLCHNBEJX-VBQVRTRESA-N 1 1 516.641 5.974 50 0 KKAAMO COc1ccc([C@@H]2C[N@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000034704163 553993431 /nfs/dbraw/zinc/99/34/31/553993431.db2.gz PWBYGGLCHNBEJX-KVVUDEAMSA-N 1 1 516.641 5.974 50 0 KKAAMO COc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4ccccc4N(Cc4ccccc4C)C3=O)[C@@H]2C(=O)c2ccccc2)cc1 ZINC000034704163 553993433 /nfs/dbraw/zinc/99/34/33/553993433.db2.gz PWBYGGLCHNBEJX-KVVUDEAMSA-N 1 1 516.641 5.974 50 0 KKAAMO Cc1cc([C@@H]2C[C@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@@H+](Cc3ccccc3Cl)C2)ccc1F ZINC000034716816 553995571 /nfs/dbraw/zinc/99/55/71/553995571.db2.gz UXUMWYGVNIKARA-IZLXSDGUSA-N 1 1 520.092 5.738 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787109 554004367 /nfs/dbraw/zinc/00/43/67/554004367.db2.gz CKXLCLMVIZJVKR-LJAQVGFWSA-N 1 1 501.696 5.023 50 0 KKAAMO CC(C)(C)c1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787303 554004388 /nfs/dbraw/zinc/00/43/88/554004388.db2.gz NSQVHYHIVAKMPU-LJAQVGFWSA-N 1 1 515.723 5.368 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787109 554004369 /nfs/dbraw/zinc/00/43/69/554004369.db2.gz CKXLCLMVIZJVKR-LJAQVGFWSA-N 1 1 501.696 5.023 50 0 KKAAMO CC(C)(C)c1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000034787303 554004391 /nfs/dbraw/zinc/00/43/91/554004391.db2.gz NSQVHYHIVAKMPU-LJAQVGFWSA-N 1 1 515.723 5.368 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034788036 554005247 /nfs/dbraw/zinc/00/52/47/554005247.db2.gz BPKSZJOKTPOWFG-PMERELPUSA-N 1 1 529.750 5.676 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034788036 554005250 /nfs/dbraw/zinc/00/52/50/554005250.db2.gz BPKSZJOKTPOWFG-PMERELPUSA-N 1 1 529.750 5.676 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034787769 554005320 /nfs/dbraw/zinc/00/53/20/554005320.db2.gz GYICLMBRLWDDLF-LJAQVGFWSA-N 1 1 515.723 5.286 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034787769 554005316 /nfs/dbraw/zinc/00/53/16/554005316.db2.gz GYICLMBRLWDDLF-LJAQVGFWSA-N 1 1 515.723 5.286 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)[C@H](C)C2)cc1 ZINC000034829954 554013442 /nfs/dbraw/zinc/01/34/42/554013442.db2.gz KZDGHLNPAVBANO-NFQMXDRXSA-N 1 1 523.102 5.422 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)[C@H](C)C2)cc1 ZINC000034829954 554013446 /nfs/dbraw/zinc/01/34/46/554013446.db2.gz KZDGHLNPAVBANO-NFQMXDRXSA-N 1 1 523.102 5.422 50 0 KKAAMO C[C@H](C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1)[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000034830141 554014848 /nfs/dbraw/zinc/01/48/48/554014848.db2.gz BLAQZSUKHHJVMW-MNNSJKJDSA-N 1 1 509.675 5.222 50 0 KKAAMO C[C@H](C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1)[N@H+]1CCc2sccc2[C@@H]1c1ccccc1 ZINC000034830141 554014852 /nfs/dbraw/zinc/01/48/52/554014852.db2.gz BLAQZSUKHHJVMW-MNNSJKJDSA-N 1 1 509.675 5.222 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)c2ccccc2Cl)[C@H](C)C1 ZINC000034830257 554015401 /nfs/dbraw/zinc/01/54/01/554015401.db2.gz ZRLFWKYXLLYDCH-PIKZIKFNSA-N 1 1 522.114 5.421 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000034830438 554015727 /nfs/dbraw/zinc/01/57/27/554015727.db2.gz NDXPHCQJFPTDEB-MWZYUOISSA-N 1 1 527.734 5.257 50 0 KKAAMO CCc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830595 554016457 /nfs/dbraw/zinc/01/64/57/554016457.db2.gz DCQJUZJAQYDLIF-PBBNMVCDSA-N 1 1 534.701 5.552 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@H+](C)CC4)cc1 ZINC000035427258 554051592 /nfs/dbraw/zinc/05/15/92/554051592.db2.gz UYEHCZMBSUXHOF-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427258 554051588 /nfs/dbraw/zinc/05/15/88/554051588.db2.gz UYEHCZMBSUXHOF-SANMLTNESA-N 1 1 502.615 5.812 50 0 KKAAMO Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@@H+](C)CC3 ZINC000035427256 554051614 /nfs/dbraw/zinc/05/16/14/554051614.db2.gz XLSRITRIBBJJMA-AREMUKBSSA-N 1 1 521.061 6.765 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NCc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427278 554051622 /nfs/dbraw/zinc/05/16/22/554051622.db2.gz JOEBBJVMGDUKLW-SANMLTNESA-N 1 1 504.606 5.620 50 0 KKAAMO Cc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccc(F)cc1)C[N@H+](C)CC3 ZINC000035427256 554051611 /nfs/dbraw/zinc/05/16/11/554051611.db2.gz XLSRITRIBBJJMA-AREMUKBSSA-N 1 1 521.061 6.765 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NCc2ccc(F)cc2)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427278 554051627 /nfs/dbraw/zinc/05/16/27/554051627.db2.gz JOEBBJVMGDUKLW-SANMLTNESA-N 1 1 504.606 5.620 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(OC)c1)C[N@H+](C)CC3 ZINC000035427311 554051854 /nfs/dbraw/zinc/05/18/54/554051854.db2.gz LKTKGRJRWHAMIU-NDEPHWFRSA-N 1 1 512.679 6.235 50 0 KKAAMO CCc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1cccc(OC)c1)C[N@@H+](C)CC3 ZINC000035427311 554051850 /nfs/dbraw/zinc/05/18/50/554051850.db2.gz LKTKGRJRWHAMIU-NDEPHWFRSA-N 1 1 512.679 6.235 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@@H+](C)CC4)c1 ZINC000035427382 554052261 /nfs/dbraw/zinc/05/22/61/554052261.db2.gz BRAGPMZKCDMPBI-HHHXNRCGSA-N 1 1 514.651 5.681 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@H+](C)CC4)c1 ZINC000035427382 554052263 /nfs/dbraw/zinc/05/22/63/554052263.db2.gz BRAGPMZKCDMPBI-HHHXNRCGSA-N 1 1 514.651 5.681 50 0 KKAAMO COc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)C[N@@H+](C)CC3 ZINC000035427378 554052330 /nfs/dbraw/zinc/05/23/30/554052330.db2.gz YTPHKQKMVCIBNM-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1ccccc1)C[N@H+](C)CC3 ZINC000035427378 554052332 /nfs/dbraw/zinc/05/23/32/554052332.db2.gz YTPHKQKMVCIBNM-AREMUKBSSA-N 1 1 519.070 6.326 50 0 KKAAMO O=C(CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)NCc1ccccc1 ZINC000098009842 554071741 /nfs/dbraw/zinc/07/17/41/554071741.db2.gz GGISWGBBYXPLAL-UHFFFAOYSA-N 1 1 544.099 5.185 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cc(OC)cc(OC)c2)CC1 ZINC000035768425 554072146 /nfs/dbraw/zinc/07/21/46/554072146.db2.gz MTJKMYZHAADMIR-LJAQVGFWSA-N 1 1 529.656 5.532 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(-c4cccc(OC)c4)n3-c3cccc(Cl)c3)cc2)CC1 ZINC000098010690 554073405 /nfs/dbraw/zinc/07/34/05/554073405.db2.gz PWCAYHNZYJAORS-UHFFFAOYSA-N 1 1 548.112 5.666 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCC(C)C ZINC000035842584 554080864 /nfs/dbraw/zinc/08/08/64/554080864.db2.gz BEPRMVVJKLGBJD-LJAQVGFWSA-N 1 1 535.773 5.782 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000035842587 554080883 /nfs/dbraw/zinc/08/08/83/554080883.db2.gz KMHSFFQWXINQFH-LJAQVGFWSA-N 1 1 535.773 5.781 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)Cc1ccccc1 ZINC000035842582 554080925 /nfs/dbraw/zinc/08/09/25/554080925.db2.gz QKJGMSOXOMQNMG-HKBQPEDESA-N 1 1 539.764 6.352 50 0 KKAAMO CC(C)COC[C@@H](O)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842651 554081347 /nfs/dbraw/zinc/08/13/47/554081347.db2.gz JQNMNKUASMFAQB-LJAQVGFWSA-N 1 1 535.773 5.781 50 0 KKAAMO CC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842609 554081362 /nfs/dbraw/zinc/08/13/62/554081362.db2.gz MJACKRSEKSYCSY-HHHXNRCGSA-N 1 1 507.719 5.146 50 0 KKAAMO O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000035871977 554086485 /nfs/dbraw/zinc/08/64/85/554086485.db2.gz GEDCOQQPMHRGRC-IGKIAQTJSA-N 1 1 511.563 5.067 50 0 KKAAMO COc1cccc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)c1 ZINC000098020075 554116553 /nfs/dbraw/zinc/11/65/53/554116553.db2.gz RYVXWXSFLNBXEQ-UHFFFAOYSA-N 1 1 552.546 7.213 50 0 KKAAMO Cn1cc([C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000098021341 554118170 /nfs/dbraw/zinc/11/81/70/554118170.db2.gz UONFOPZNOXSABQ-WJOKGBTCSA-N 1 1 581.682 7.653 50 0 KKAAMO CCc1cccc2c([C@@H](CC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cccc(OC)c3)c[nH]c21 ZINC000098021381 554118405 /nfs/dbraw/zinc/11/84/05/554118405.db2.gz DVQWYXPBNIZNBA-XIFFEERXSA-N 1 1 557.738 7.195 50 0 KKAAMO COc1ccccc1-c1cc(C(=O)N2CC[NH+](Cc3ccc(C(C)(C)C)cc3)CC2)c2cc(Br)ccc2n1 ZINC000098042741 554121770 /nfs/dbraw/zinc/12/17/70/554121770.db2.gz NHQRMCPMLFTFDC-UHFFFAOYSA-N 1 1 572.547 6.928 50 0 KKAAMO CCCCc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000098042731 554121832 /nfs/dbraw/zinc/12/18/32/554121832.db2.gz LUWXFKKCNLOEQA-UHFFFAOYSA-N 1 1 598.629 8.262 50 0 KKAAMO CCOc1cccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)c3cc(Br)ccc3n2)c1 ZINC000098042735 554121846 /nfs/dbraw/zinc/12/18/46/554121846.db2.gz ICKRYEPOKOWXIA-UHFFFAOYSA-N 1 1 586.574 7.319 50 0 KKAAMO COc1ccccc1-c1cc(C(=O)N2CC[NH+](Cc3ccc(C(C)C)cc3)CC2)c2cc(Br)ccc2n1 ZINC000098042744 554122078 /nfs/dbraw/zinc/12/20/78/554122078.db2.gz KAJUCENWJIOWPE-UHFFFAOYSA-N 1 1 558.520 6.754 50 0 KKAAMO COc1cccc(OC)c1C(=O)N(C(=O)c1c(OC)cccc1OC)c1ccc(N2CC[NH+](Cc3ccccc3Cl)CC2)cc1 ZINC000098043551 554128319 /nfs/dbraw/zinc/12/83/19/554128319.db2.gz ADBBVRMCAMGNKM-UHFFFAOYSA-N 1 1 630.141 6.184 50 0 KKAAMO CC[C@@H](NC(=O)c1cccc(OC)c1)[C@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048298 554154100 /nfs/dbraw/zinc/15/41/00/554154100.db2.gz HRLHKXRLRFQQLU-GGXMVOPNSA-N 1 1 504.627 5.029 50 0 KKAAMO CC[C@@H](NC(=O)c1cccc(OC)c1)[C@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048298 554154105 /nfs/dbraw/zinc/15/41/05/554154105.db2.gz HRLHKXRLRFQQLU-GGXMVOPNSA-N 1 1 504.627 5.029 50 0 KKAAMO CCOC(=O)C1CCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3ccc(C)cc3)n2)CC1 ZINC000036063974 554162487 /nfs/dbraw/zinc/16/24/87/554162487.db2.gz MKMCHKSGBAOFIE-UHFFFAOYSA-N 1 1 528.653 5.125 50 0 KKAAMO CCOC(=O)C1CCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3ccc(C)cc3)n2)CC1 ZINC000036063974 554162490 /nfs/dbraw/zinc/16/24/90/554162490.db2.gz MKMCHKSGBAOFIE-UHFFFAOYSA-N 1 1 528.653 5.125 50 0 KKAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3cccc(C)c3)n2)C1 ZINC000036064029 554162589 /nfs/dbraw/zinc/16/25/89/554162589.db2.gz RZBVOXYJCVWIPW-VWLOTQADSA-N 1 1 528.653 5.125 50 0 KKAAMO CCOC(=O)[C@H]1CCCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3cccc(C)c3)n2)C1 ZINC000036064029 554162585 /nfs/dbraw/zinc/16/25/85/554162585.db2.gz RZBVOXYJCVWIPW-VWLOTQADSA-N 1 1 528.653 5.125 50 0 KKAAMO O=c1cc(C[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@H]2CCCc3ccccc32)nc2ccc(Br)cn12 ZINC000098050543 554175208 /nfs/dbraw/zinc/17/52/08/554175208.db2.gz KYNIVGOYUPFCTH-DEOSSOPVSA-N 1 1 621.333 5.307 50 0 KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000036091457 554177645 /nfs/dbraw/zinc/17/76/45/554177645.db2.gz QRYDFPQVLUNFAK-FPOUCGFGSA-N 1 1 529.706 5.235 50 0 KKAAMO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000036201487 554200550 /nfs/dbraw/zinc/20/05/50/554200550.db2.gz YPZPBBXTFUQNMT-CUHSMEASSA-N 1 1 525.023 6.450 50 0 KKAAMO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@@]12c1ccccc1N(Cc1ccccc1Cl)C2=O ZINC000036201487 554200547 /nfs/dbraw/zinc/20/05/47/554200547.db2.gz YPZPBBXTFUQNMT-CUHSMEASSA-N 1 1 525.023 6.450 50 0 KKAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)COCc2ccccc2)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302100 554211778 /nfs/dbraw/zinc/21/17/78/554211778.db2.gz BXDBNGDMQPSRHP-MHZLTWQESA-N 1 1 513.638 5.524 50 0 KKAAMO COc1ccccc1Oc1c(C[N@H+](C[C@H](O)COCc2ccccc2)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302100 554211774 /nfs/dbraw/zinc/21/17/74/554211774.db2.gz BXDBNGDMQPSRHP-MHZLTWQESA-N 1 1 513.638 5.524 50 0 KKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@@H](O)Cc1ccccc1 ZINC000036301725 554211872 /nfs/dbraw/zinc/21/18/72/554211872.db2.gz OAIDNJLZMUCPOG-MHZLTWQESA-N 1 1 504.074 6.688 50 0 KKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@H](O)COCC(C)C ZINC000036301728 554212012 /nfs/dbraw/zinc/21/20/12/554212012.db2.gz VTDPTGBEPFXRNC-VWLOTQADSA-N 1 1 500.083 6.118 50 0 KKAAMO CCOC[C@@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036302224 554212283 /nfs/dbraw/zinc/21/22/83/554212283.db2.gz QPAHRKFCPVREHH-SANMLTNESA-N 1 1 519.617 5.520 50 0 KKAAMO CCOC[C@@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)Cc1ccc(F)cc1 ZINC000036302224 554212286 /nfs/dbraw/zinc/21/22/86/554212286.db2.gz QPAHRKFCPVREHH-SANMLTNESA-N 1 1 519.617 5.520 50 0 KKAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@H](O)COCc2ccccc2)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302269 554212378 /nfs/dbraw/zinc/21/23/78/554212378.db2.gz LOYLZFDKLVZFJM-NDEPHWFRSA-N 1 1 527.665 5.771 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000036302990 554213037 /nfs/dbraw/zinc/21/30/37/554213037.db2.gz SEKVNHIOSTWNSO-XRKRLSELSA-N 1 1 511.666 5.812 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000036302990 554213039 /nfs/dbraw/zinc/21/30/39/554213039.db2.gz SEKVNHIOSTWNSO-XRKRLSELSA-N 1 1 511.666 5.812 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@@H+](CCOC)C[C@@H](O)Cc1ccccc1 ZINC000036303280 554213270 /nfs/dbraw/zinc/21/32/70/554213270.db2.gz QROAKVGRYUFEKG-SANMLTNESA-N 1 1 503.618 5.418 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1C[N@H+](CCOC)C[C@@H](O)Cc1ccccc1 ZINC000036303280 554213267 /nfs/dbraw/zinc/21/32/67/554213267.db2.gz QROAKVGRYUFEKG-SANMLTNESA-N 1 1 503.618 5.418 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000036303541 554213319 /nfs/dbraw/zinc/21/33/19/554213319.db2.gz NQDQCBLOTFRIRX-LOSJGSFVSA-N 1 1 528.093 5.641 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000036303541 554213316 /nfs/dbraw/zinc/21/33/16/554213316.db2.gz NQDQCBLOTFRIRX-LOSJGSFVSA-N 1 1 528.093 5.641 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)CC1CC1 ZINC000036303576 554213694 /nfs/dbraw/zinc/21/36/94/554213694.db2.gz RISILECNKILUOF-HHHXNRCGSA-N 1 1 532.084 6.416 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)Cc1ccccc1 ZINC000036304015 554214020 /nfs/dbraw/zinc/21/40/20/554214020.db2.gz NYRGKOYIRKAERZ-RUZDIDTESA-N 1 1 507.581 5.303 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)Cc1ccccc1 ZINC000036304015 554214024 /nfs/dbraw/zinc/21/40/24/554214024.db2.gz NYRGKOYIRKAERZ-RUZDIDTESA-N 1 1 507.581 5.303 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000036304208 554214200 /nfs/dbraw/zinc/21/42/00/554214200.db2.gz XRCKDGJZNFKXAW-ZEQRLZLVSA-N 1 1 515.601 5.018 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000036304208 554214195 /nfs/dbraw/zinc/21/41/95/554214195.db2.gz XRCKDGJZNFKXAW-ZEQRLZLVSA-N 1 1 515.601 5.018 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)COCc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305203 554214977 /nfs/dbraw/zinc/21/49/77/554214977.db2.gz HGSPAURDIGEDPN-HHHXNRCGSA-N 1 1 532.084 6.323 50 0 KKAAMO CC(C)COC[C@@H](O)C[N@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036307004 554215734 /nfs/dbraw/zinc/21/57/34/554215734.db2.gz OCZRNDPTUBLPOA-DEOSSOPVSA-N 1 1 507.606 5.647 50 0 KKAAMO CC(C)COC[C@@H](O)C[N@@H+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1 ZINC000036307004 554215737 /nfs/dbraw/zinc/21/57/37/554215737.db2.gz OCZRNDPTUBLPOA-DEOSSOPVSA-N 1 1 507.606 5.647 50 0 KKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1F)C[C@H](O)COCc1ccccc1 ZINC000036306625 554215794 /nfs/dbraw/zinc/21/57/94/554215794.db2.gz XBIAAOTXVYFJPU-SANMLTNESA-N 1 1 517.645 6.054 50 0 KKAAMO Cc1cccc(Oc2c(C[N@@H+](C[C@H](O)COc3ccccc3C)CC3CC3)c(-c3ccccc3)nn2C)c1 ZINC000036306571 554215933 /nfs/dbraw/zinc/21/59/33/554215933.db2.gz VJIVAKBLVRFKIZ-MHZLTWQESA-N 1 1 511.666 6.148 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)c1Oc1ccc(F)cc1 ZINC000036307492 554216151 /nfs/dbraw/zinc/21/61/51/554216151.db2.gz DAGFDCUPQUIYJM-SANMLTNESA-N 1 1 511.597 6.217 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)c1Oc1ccc(F)cc1 ZINC000036307492 554216154 /nfs/dbraw/zinc/21/61/54/554216154.db2.gz DAGFDCUPQUIYJM-SANMLTNESA-N 1 1 511.597 6.217 50 0 KKAAMO Cc1ccccc1OC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)CC1CC1 ZINC000036307314 554216254 /nfs/dbraw/zinc/21/62/54/554216254.db2.gz JESFAUWINSYGDE-SANMLTNESA-N 1 1 515.629 5.979 50 0 KKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000036307691 554216344 /nfs/dbraw/zinc/21/63/44/554216344.db2.gz UPEMYMRXWHVOQX-RUZDIDTESA-N 1 1 503.618 5.979 50 0 KKAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000036308863 554216591 /nfs/dbraw/zinc/21/65/91/554216591.db2.gz JUYMECFYFTYQJZ-WNJJXGMVSA-N 1 1 536.738 5.276 50 0 KKAAMO CCOC(=O)c1c2cc(OC)c(Br)cc2oc1C[NH+]1CCC(C(=O)OCC)(c2ccccc2)CC1 ZINC000100098426 554219323 /nfs/dbraw/zinc/21/93/23/554219323.db2.gz MIJHURZOAFQRHH-UHFFFAOYSA-N 1 1 544.442 5.478 50 0 KKAAMO CCOc1ccc([C@H]2CC(c3cc(C)ccc3C)=NN2C(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000036344151 554222749 /nfs/dbraw/zinc/22/27/49/554222749.db2.gz BMTJVXLOFLZRFL-WJOKGBTCSA-N 1 1 510.682 5.198 50 0 KKAAMO O=C(c1cc2sc(Br)cc2n1Cc1ccc(F)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000037526967 554250793 /nfs/dbraw/zinc/25/07/93/554250793.db2.gz ODTQUFVFZNVASB-UHFFFAOYSA-N 1 1 512.448 5.611 50 0 KKAAMO O=C(c1cc2sc(Br)cc2n1Cc1ccccc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000037542540 554250843 /nfs/dbraw/zinc/25/08/43/554250843.db2.gz ILRWAIQEFCTKAH-UHFFFAOYSA-N 1 1 512.448 5.611 50 0 KKAAMO COc1cc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)cc(OC)c1 ZINC000037572218 554251965 /nfs/dbraw/zinc/25/19/65/554251965.db2.gz ZCEVMUQWFDOEJM-UHFFFAOYSA-N 1 1 501.048 5.217 50 0 KKAAMO Cc1ccc(-n2ncc(C(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C ZINC000038139258 554259917 /nfs/dbraw/zinc/25/99/17/554259917.db2.gz MEEIABGKRQRIOA-XMMPIXPASA-N 1 1 549.760 5.598 50 0 KKAAMO O=C(c1ccc2c3c1cccc3C(=O)N(c1cccc(C(F)(F)F)c1)C2=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000038146197 554269625 /nfs/dbraw/zinc/26/96/25/554269625.db2.gz WLFBEAMGIJRBPQ-UHFFFAOYSA-N 1 1 543.545 5.617 50 0 KKAAMO Cc1ccc(CN(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S(=O)(=O)c2ccccc2)cc1 ZINC000100279450 554276457 /nfs/dbraw/zinc/27/64/57/554276457.db2.gz WCJASQWVVYDZJH-UHFFFAOYSA-N 1 1 553.728 5.120 50 0 KKAAMO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccccc1 ZINC000043883925 554300268 /nfs/dbraw/zinc/30/02/68/554300268.db2.gz REMYYYICRNOILH-NTGKZJMKSA-N 1 1 507.675 5.218 50 0 KKAAMO O=C(COc1ccccc1F)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000046853882 554320849 /nfs/dbraw/zinc/32/08/49/554320849.db2.gz KQYONWNEFUUQBB-UHFFFAOYSA-N 1 1 525.559 5.093 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccc(OC)c3)CC2)cc1 ZINC000046853926 554320854 /nfs/dbraw/zinc/32/08/54/554320854.db2.gz IMOWXPVVJIWQHV-UHFFFAOYSA-N 1 1 533.632 5.457 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000053362717 554345506 /nfs/dbraw/zinc/34/55/06/554345506.db2.gz BYIPTNZYORIKKE-ZMAXYJRFSA-N 1 1 539.075 7.027 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2cccc(Cl)c2)C3=O)cc1 ZINC000053362717 554345508 /nfs/dbraw/zinc/34/55/08/554345508.db2.gz BYIPTNZYORIKKE-ZMAXYJRFSA-N 1 1 539.075 7.027 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059785527 554430305 /nfs/dbraw/zinc/43/03/05/554430305.db2.gz QYQDPBFSISDNBS-GHQHKEJXSA-N 1 1 527.624 5.417 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)[C@H]1COc2ccccc2O1 ZINC000100819321 554479008 /nfs/dbraw/zinc/47/90/08/554479008.db2.gz VXZRFIQFOVEFIM-XMMPIXPASA-N 1 1 539.682 6.362 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)[C@H]1COc2ccccc2O1 ZINC000100819321 554479010 /nfs/dbraw/zinc/47/90/10/554479010.db2.gz VXZRFIQFOVEFIM-XMMPIXPASA-N 1 1 539.682 6.362 50 0 KKAAMO CCOC(=O)c1c(NC(=O)C[NH2+]C(c2ccccc2)c2ccccc2)sc(Cl)c1-c1ccccc1 ZINC000062585400 554507138 /nfs/dbraw/zinc/50/71/38/554507138.db2.gz CULYFULZAACVIH-UHFFFAOYSA-N 1 1 505.039 6.563 50 0 KKAAMO Cc1ccccc1-c1noc(CN(C[C@H]2CC[N@H+](Cc3nc(-c4ccccc4C)no3)C2)c2ccccn2)n1 ZINC000062632916 554507664 /nfs/dbraw/zinc/50/76/64/554507664.db2.gz UORYUDJTWDUUMC-QHCPKHFHSA-N 1 1 521.625 5.327 50 0 KKAAMO Cc1ccccc1-c1noc(CN(C[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4C)no3)C2)c2ccccn2)n1 ZINC000062632916 554507667 /nfs/dbraw/zinc/50/76/67/554507667.db2.gz UORYUDJTWDUUMC-QHCPKHFHSA-N 1 1 521.625 5.327 50 0 KKAAMO O=C(Nc1ccc2c(c1)Nc1ccccc1CC2)[C@@H]1C[C@H](Sc2ncccn2)C[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000100913579 554518863 /nfs/dbraw/zinc/51/88/63/554518863.db2.gz PJTSDJGCXMODOS-QGRQJHSQSA-N 1 1 595.772 7.264 50 0 KKAAMO O=C(Nc1ccc2c(c1)Nc1ccccc1CC2)[C@@H]1C[C@H](Sc2ncccn2)C[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC000100913579 554518866 /nfs/dbraw/zinc/51/88/66/554518866.db2.gz PJTSDJGCXMODOS-QGRQJHSQSA-N 1 1 595.772 7.264 50 0 KKAAMO CC(C)c1ccc(C[N@@H+]2C[C@@H](Sc3ncccn3)C[C@H]2C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)cc1 ZINC000100913835 554519338 /nfs/dbraw/zinc/51/93/38/554519338.db2.gz FROAHVSOHHKDJU-IZEXYCQBSA-N 1 1 549.744 6.816 50 0 KKAAMO CC(C)c1ccc(C[N@H+]2C[C@@H](Sc3ncccn3)C[C@H]2C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)cc1 ZINC000100913835 554519339 /nfs/dbraw/zinc/51/93/39/554519339.db2.gz FROAHVSOHHKDJU-IZEXYCQBSA-N 1 1 549.744 6.816 50 0 KKAAMO O[C@H](CN1c2ccccc2[C@H](c2ccccc2)[C@@H]1c1ccccc1)CN1CC[NH+](C[C@@H](O)CN2c3ccccc3[C@H](c3ccccc3)[C@H]2c2ccccc2)CC1 ZINC000066031718 554527532 /nfs/dbraw/zinc/52/75/32/554527532.db2.gz FBTAFNUXVYMJFU-JXNBGFIVSA-N 1 1 740.992 8.113 50 0 KKAAMO O[C@@H](CN1c2ccccc2[C@H](c2ccccc2)[C@H]1c1ccccc1)CN1CC[NH+](C[C@H](O)CN2c3ccccc3[C@H](c3ccccc3)[C@@H]2c2ccccc2)CC1 ZINC000066031718 554527526 /nfs/dbraw/zinc/52/75/26/554527526.db2.gz FBTAFNUXVYMJFU-JXNBGFIVSA-N 1 1 740.992 8.113 50 0 KKAAMO Cc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc5c(c4)OCCO5)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000100951630 554537551 /nfs/dbraw/zinc/53/75/51/554537551.db2.gz ZJZDVLOZDBWHTP-PFYDVMEUSA-N 1 1 533.697 6.816 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(OC)cc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000100961402 554542540 /nfs/dbraw/zinc/54/25/40/554542540.db2.gz GZGMAAUUJSUVNV-RZMWZYTASA-N 1 1 537.685 6.454 50 0 KKAAMO CCCc1ccc(C(O)=C2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101026565 554563828 /nfs/dbraw/zinc/56/38/28/554563828.db2.gz GGFPNMXUABVSGH-UOWMXVQPSA-N 1 1 538.647 6.621 50 0 KKAAMO CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000101026565 554563830 /nfs/dbraw/zinc/56/38/30/554563830.db2.gz GGFPNMXUABVSGH-UOWMXVQPSA-N 1 1 538.647 6.621 50 0 KKAAMO CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000101026565 554563831 /nfs/dbraw/zinc/56/38/31/554563831.db2.gz GGFPNMXUABVSGH-UOWMXVQPSA-N 1 1 538.647 6.621 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101064467 554571957 /nfs/dbraw/zinc/57/19/57/554571957.db2.gz ZGKAYFNNHKDJHQ-TVCBXBRYSA-N 1 1 562.851 5.117 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000101064467 554571960 /nfs/dbraw/zinc/57/19/60/554571960.db2.gz ZGKAYFNNHKDJHQ-TVCBXBRYSA-N 1 1 562.851 5.117 50 0 KKAAMO C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c1)c1cc(Br)ccc1O2 ZINC000101092279 554583105 /nfs/dbraw/zinc/58/31/05/554583105.db2.gz UKBQJHDNQFBSAX-VAVYLYDRSA-N 1 1 561.480 5.177 50 0 KKAAMO O=C(COc1ccc(-c2ncccn2)cc1C[NH+]1CCN(c2ccccc2)CC1)NCc1cccc(C(F)(F)F)c1 ZINC000101104927 554639902 /nfs/dbraw/zinc/63/99/02/554639902.db2.gz VNFSCRMFMWCAJG-UHFFFAOYSA-N 1 1 561.608 5.180 50 0 KKAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(-c3ccc(F)cc3)n2)cc1 ZINC000101110723 554641671 /nfs/dbraw/zinc/64/16/71/554641671.db2.gz MRGKWRWRNZDIAN-UHFFFAOYSA-N 1 1 546.646 6.234 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1 ZINC000101215756 554681735 /nfs/dbraw/zinc/68/17/35/554681735.db2.gz ACQPFWWNRXCNIW-UHFFFAOYSA-N 1 1 533.632 5.132 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254818 554695503 /nfs/dbraw/zinc/69/55/03/554695503.db2.gz RFOUODKSKGQFCU-HKBQPEDESA-N 1 1 634.246 5.668 50 0 KKAAMO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@@H+]21 ZINC000101260346 554697305 /nfs/dbraw/zinc/69/73/05/554697305.db2.gz BNHUITTWEUMVQI-TVNXZVQQSA-N 1 1 531.011 6.322 50 0 KKAAMO O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H](C(=O)c2ccccc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=C[N@H+]21 ZINC000101260346 554697308 /nfs/dbraw/zinc/69/73/08/554697308.db2.gz BNHUITTWEUMVQI-TVNXZVQQSA-N 1 1 531.011 6.322 50 0 KKAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccccc12 ZINC000101317331 554724321 /nfs/dbraw/zinc/72/43/21/554724321.db2.gz TUKHGSQLXUDRPY-MRPYTORDSA-N 1 1 548.042 5.816 50 0 KKAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccccc12 ZINC000101317331 554724323 /nfs/dbraw/zinc/72/43/23/554724323.db2.gz TUKHGSQLXUDRPY-MRPYTORDSA-N 1 1 548.042 5.816 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101346360 554737431 /nfs/dbraw/zinc/73/74/31/554737431.db2.gz LPKCEPHWWOXYMF-NZWZHHCMSA-N 1 1 542.035 5.143 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cccc4Cl)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101346360 554737434 /nfs/dbraw/zinc/73/74/34/554737434.db2.gz LPKCEPHWWOXYMF-NZWZHHCMSA-N 1 1 542.035 5.143 50 0 KKAAMO COc1ccc(C(O)=C2[C@@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1OC ZINC000101367005 554744026 /nfs/dbraw/zinc/74/40/26/554744026.db2.gz SUJODGZTLOJDDP-GGKJBDKJSA-N 1 1 557.606 5.081 50 0 KKAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101372264 554744623 /nfs/dbraw/zinc/74/46/23/554744623.db2.gz XOCOWNIFMUPWBY-NVMPUMLXSA-N 1 1 611.117 5.998 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000101372841 554745110 /nfs/dbraw/zinc/74/51/10/554745110.db2.gz FBHGKYYXHSCRCC-USUHSNIBSA-N 1 1 557.735 6.890 50 0 KKAAMO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@H+]4CCCC[C@H]34)C(=O)c3cc(OC)cc(OC)c3)CCCCC2)cc(OC)c1 ZINC000101378456 554747501 /nfs/dbraw/zinc/74/75/01/554747501.db2.gz SKPOOLAPFIGVPI-WBBHLRKXSA-N 1 1 593.765 5.769 50 0 KKAAMO COc1ccc(Nc2cc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)cc1OC ZINC000101407816 554762373 /nfs/dbraw/zinc/76/23/73/554762373.db2.gz NDNDBHIKUUCLFZ-UHFFFAOYSA-N 1 1 546.071 5.201 50 0 KKAAMO O=C(CSc1nc2ccccc2nc1N1CCCCC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000101408286 554762902 /nfs/dbraw/zinc/76/29/02/554762902.db2.gz RSVLPAWNWMTHNL-UHFFFAOYSA-N 1 1 537.733 5.646 50 0 KKAAMO CC1=C(CC(=O)N2CC[NH+](Cc3ccccc3)CC2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 ZINC000101454795 554776703 /nfs/dbraw/zinc/77/67/03/554776703.db2.gz NQLQOXOXTPFDTG-NGBWEHRSSA-N 1 1 514.666 5.625 50 0 KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@H+](C)C4CCCCC4)ccc3[S@](=O)c3ccccc3C2=O)c1 ZINC000101455151 554776967 /nfs/dbraw/zinc/77/69/67/554776967.db2.gz SXXNDJCQUXRWOZ-FAIXQHPJSA-N 1 1 557.760 6.015 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101492177 554786072 /nfs/dbraw/zinc/78/60/72/554786072.db2.gz BRBDOBQPLCPWOI-OBWDDDHRSA-N 1 1 559.453 5.073 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000101492487 554786291 /nfs/dbraw/zinc/78/62/91/554786291.db2.gz VRIRGLHXHWSFLY-KGPFVPCYSA-N 1 1 559.453 5.073 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101505548 554789780 /nfs/dbraw/zinc/78/97/80/554789780.db2.gz OPSYONZQPIEVBX-NIVHOULJSA-N 1 1 559.453 5.073 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@H+]4CCc5ccccc5C4)cc3)C2=O)c1 ZINC000101506297 554789906 /nfs/dbraw/zinc/78/99/06/554789906.db2.gz MAYDLFROFCKJHW-NHYZDEDTSA-N 1 1 587.789 7.162 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@H+](C)C4CCCCC4)cc3)C2=O)c1 ZINC000101506264 554789935 /nfs/dbraw/zinc/78/99/35/554789935.db2.gz SAGYAGMKALXWPV-SNCSUOKWSA-N 1 1 567.799 7.368 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[NH+]4CCOCC4)cc3)C2=O)c1 ZINC000101506223 554789944 /nfs/dbraw/zinc/78/99/44/554789944.db2.gz GSSIPOBCDQMUNP-OFWBYEQRSA-N 1 1 541.717 5.436 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCC[N@@H+]4CCCC[C@H]4C)cc3)C2=O)c1 ZINC000101506741 554791008 /nfs/dbraw/zinc/79/10/08/554791008.db2.gz IJNHMGLHNHLUHN-SRWDPJRNSA-N 1 1 539.745 6.588 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C/c3ccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc3)C2=O)c1 ZINC000101506737 554791045 /nfs/dbraw/zinc/79/10/45/554791045.db2.gz IJNHMGLHNHLUHN-JEZFPDEOSA-N 1 1 539.745 6.588 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101510642 554792356 /nfs/dbraw/zinc/79/23/56/554792356.db2.gz LUAJHQPALGVMFU-MTBINSJKSA-N 1 1 559.453 5.073 50 0 KKAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@@H+](C)Cc4ccccc4)CC3)s2)cc1 ZINC000101575535 554799110 /nfs/dbraw/zinc/79/91/10/554799110.db2.gz QZGNRHRLDGQVIY-UHFFFAOYSA-N 1 1 587.794 5.194 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccc(OC(C)C)cc1)C3=O ZINC000101614982 554805830 /nfs/dbraw/zinc/80/58/30/554805830.db2.gz JSXFFODNDGTNRL-SGQICDRISA-N 1 1 574.766 5.336 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)Cc1ccccc1 ZINC000101637590 554813688 /nfs/dbraw/zinc/81/36/88/554813688.db2.gz BCQFDDBSNHZIOV-QLKFWGTOSA-N 1 1 614.211 7.089 50 0 KKAAMO Cc1cccc(/C=C2\Sc3ccc(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)cc3N(C)C2=O)c1 ZINC000101640076 554814236 /nfs/dbraw/zinc/81/42/36/554814236.db2.gz MNXBKXCDWFHVBV-OFWBYEQRSA-N 1 1 540.733 5.042 50 0 KKAAMO CCCN(CC1CC1)C(=O)CC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N1CCN(c2ccccc2OC)CC1 ZINC000101813336 554839946 /nfs/dbraw/zinc/83/99/46/554839946.db2.gz LGMFPRLQZPBIAK-XZWHSSHBSA-N 1 1 532.773 5.137 50 0 KKAAMO CCCN(CC1CC1)C(=O)CC[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH+]1CCN(c2ccccc2OC)CC1 ZINC000101813336 554839949 /nfs/dbraw/zinc/83/99/49/554839949.db2.gz LGMFPRLQZPBIAK-XZWHSSHBSA-N 1 1 532.773 5.137 50 0 KKAAMO CN(Cc1ccoc1)C(=O)[C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1CC(c1ccccc1)c1ccccc1 ZINC000101871000 554845686 /nfs/dbraw/zinc/84/56/86/554845686.db2.gz UALXBJSMTZVGRQ-VIZCGCQYSA-N 1 1 536.701 6.182 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)cc2OC)CC[N@H+](C)C4)c1 ZINC000101916513 554850398 /nfs/dbraw/zinc/85/03/98/554850398.db2.gz ZNCGPBBQJWGENE-MUUNZHRXSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(OC)cc2OC)CC[N@@H+](C)C4)c1 ZINC000101916513 554850400 /nfs/dbraw/zinc/85/04/00/554850400.db2.gz ZNCGPBBQJWGENE-MUUNZHRXSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(Cl)c2)CC[N@H+](C)C4)c1 ZINC000101916590 554850609 /nfs/dbraw/zinc/85/06/09/554850609.db2.gz XYIRFCDPJOSNSB-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(Cl)c2)CC[N@@H+](C)C4)c1 ZINC000101916590 554850610 /nfs/dbraw/zinc/85/06/10/554850610.db2.gz XYIRFCDPJOSNSB-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1cc(C(=O)Oc2cccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)c2)cc(OC)c1OC ZINC000101976011 554862826 /nfs/dbraw/zinc/86/28/26/554862826.db2.gz RUWXTUSZLBGBIT-RUZDIDTESA-N 1 1 537.638 5.189 50 0 KKAAMO COc1c(Br)cc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000102079279 554875721 /nfs/dbraw/zinc/87/57/21/554875721.db2.gz JETMQCJIPKCXMF-OAQYLSRUSA-N 1 1 563.315 5.694 50 0 KKAAMO COc1c(Br)cc(Br)cc1[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000102079279 554875724 /nfs/dbraw/zinc/87/57/24/554875724.db2.gz JETMQCJIPKCXMF-OAQYLSRUSA-N 1 1 563.315 5.694 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc(Br)c1OC(=O)c1ccc(C)cc1 ZINC000102096406 554879427 /nfs/dbraw/zinc/87/94/27/554879427.db2.gz CWEQXWDDVVQEDH-XMMPIXPASA-N 1 1 570.509 6.242 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000102096563 554879439 /nfs/dbraw/zinc/87/94/39/554879439.db2.gz BVAVQFUZFPRRSB-NDEPHWFRSA-N 1 1 541.673 6.715 50 0 KKAAMO C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H](Sc3nc4ccccc4[nH]3)CN2Cc2ccc(OCc3ccccc3)cc2)CC1 ZINC000102104862 554882365 /nfs/dbraw/zinc/88/23/65/554882365.db2.gz JZKPYWHSPIQFTQ-OFSOJUDTSA-N 1 1 555.748 5.041 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OC2CCN(S(=O)(=O)c3ccccc3Cl)CC2)cc1 ZINC000102338806 554912928 /nfs/dbraw/zinc/91/29/28/554912928.db2.gz KSORNOQMJWVUPH-UHFFFAOYSA-N 1 1 541.138 6.419 50 0 KKAAMO O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000102384452 554918573 /nfs/dbraw/zinc/91/85/73/554918573.db2.gz BSWGBMBMGIHUFU-MUUNZHRXSA-N 1 1 566.668 5.278 50 0 KKAAMO C[N@@H+](Cc1cccs1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000102404968 554920606 /nfs/dbraw/zinc/92/06/06/554920606.db2.gz JVIVQRIFQNCGJI-UHFFFAOYSA-N 1 1 573.690 5.643 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102438695 554928940 /nfs/dbraw/zinc/92/89/40/554928940.db2.gz BNKSMNUMXUZSKY-KFKPUUFDSA-N 1 1 576.052 6.086 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccc(Br)c2)cc1 ZINC000102452351 554932698 /nfs/dbraw/zinc/93/26/98/554932698.db2.gz FFGVMOHRGFEHLN-YTTGMZPUSA-N 1 1 630.594 8.585 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2OC)CC[N@H+](C)C4)cc1 ZINC000102499460 554941850 /nfs/dbraw/zinc/94/18/50/554941850.db2.gz OPCIXCFMPWFGKW-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2OC)CC[N@@H+](C)C4)cc1 ZINC000102499460 554941852 /nfs/dbraw/zinc/94/18/52/554941852.db2.gz OPCIXCFMPWFGKW-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(Cl)c2)CC[N@H+](C)C4)cc1 ZINC000102499406 554941925 /nfs/dbraw/zinc/94/19/25/554941925.db2.gz RGOFZEKWZGSFKA-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(Cl)c2)CC[N@@H+](C)C4)cc1 ZINC000102499406 554941926 /nfs/dbraw/zinc/94/19/26/554941926.db2.gz RGOFZEKWZGSFKA-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COC(=O)c1sccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@@H+](C)CC3 ZINC000102499672 554942149 /nfs/dbraw/zinc/94/21/49/554942149.db2.gz KPBNDHQHTDVGNO-DEOSSOPVSA-N 1 1 548.690 5.521 50 0 KKAAMO COC(=O)c1sccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C[N@H+](C)CC3 ZINC000102499672 554942151 /nfs/dbraw/zinc/94/21/51/554942151.db2.gz KPBNDHQHTDVGNO-DEOSSOPVSA-N 1 1 548.690 5.521 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc3c2CCCC3)CC[N@H+](C)C4)cc1 ZINC000102499557 554942303 /nfs/dbraw/zinc/94/23/03/554942303.db2.gz QFMNORGPCDEULV-PMERELPUSA-N 1 1 538.717 6.551 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc3c2CCCC3)CC[N@@H+](C)C4)cc1 ZINC000102499557 554942306 /nfs/dbraw/zinc/94/23/06/554942306.db2.gz QFMNORGPCDEULV-PMERELPUSA-N 1 1 538.717 6.551 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCCO4)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000102500028 554942448 /nfs/dbraw/zinc/94/24/48/554942448.db2.gz MBFTULLTRSHRLD-HHHXNRCGSA-N 1 1 530.625 5.574 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCCO4)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000102500028 554942449 /nfs/dbraw/zinc/94/24/49/554942449.db2.gz MBFTULLTRSHRLD-HHHXNRCGSA-N 1 1 530.625 5.574 50 0 KKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@@H+](C)CC3 ZINC000102499824 554942485 /nfs/dbraw/zinc/94/24/85/554942485.db2.gz NSCYRADEUPIAEH-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc(C)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C[N@H+](C)CC3 ZINC000102499824 554942486 /nfs/dbraw/zinc/94/24/86/554942486.db2.gz NSCYRADEUPIAEH-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c1 ZINC000102500264 554942876 /nfs/dbraw/zinc/94/28/76/554942876.db2.gz KXZBMYMDRJQLNU-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(OC)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c1 ZINC000102500264 554942877 /nfs/dbraw/zinc/94/28/77/554942877.db2.gz KXZBMYMDRJQLNU-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000102500341 554942882 /nfs/dbraw/zinc/94/28/82/554942882.db2.gz OJIFJZSHLIXDPV-RUZDIDTESA-N 1 1 525.024 6.595 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccc(Cl)c2)c2cccn2-3)C1 ZINC000102500341 554942883 /nfs/dbraw/zinc/94/28/83/554942883.db2.gz OJIFJZSHLIXDPV-RUZDIDTESA-N 1 1 525.024 6.595 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCc2ccccc2F)CC1 ZINC000102543793 554958498 /nfs/dbraw/zinc/95/84/98/554958498.db2.gz ZPIGOKISZITWOL-BHBYDHKZSA-N 1 1 579.160 5.597 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCc2ccccc2F)CC1 ZINC000102543793 554958500 /nfs/dbraw/zinc/95/85/00/554958500.db2.gz ZPIGOKISZITWOL-BHBYDHKZSA-N 1 1 579.160 5.597 50 0 KKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000102576525 554971782 /nfs/dbraw/zinc/97/17/82/554971782.db2.gz WAVLQOGKLZLFIK-LBNVMWSVSA-N 1 1 542.617 6.867 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1C ZINC000102661965 555000694 /nfs/dbraw/zinc/00/06/94/555000694.db2.gz UBYXKEZTSVAMML-JGCGQSQUSA-N 1 1 599.816 6.124 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccc(Cl)cc1 ZINC000102661991 555001033 /nfs/dbraw/zinc/00/10/33/555001033.db2.gz BMCBCCFWKZJUHQ-HKBQPEDESA-N 1 1 620.234 6.469 50 0 KKAAMO COc1cc(C[N@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)ccc1O ZINC000102663609 555001114 /nfs/dbraw/zinc/00/11/14/555001114.db2.gz FPEDYRLYOQPEPJ-ZEQKJWHPSA-N 1 1 544.589 6.325 50 0 KKAAMO Cc1cc(CNC(=O)COc2ccc(-c3csc4ccccc34)cc2C[NH+]2CCN(c3ccccn3)CC2)on1 ZINC000102691259 555008190 /nfs/dbraw/zinc/00/81/90/555008190.db2.gz QVTOZBZAYQWGEC-UHFFFAOYSA-N 1 1 553.688 5.277 50 0 KKAAMO O=C(/C=C/c1ccccc1)Nc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000102770435 555058037 /nfs/dbraw/zinc/05/80/37/555058037.db2.gz LBSHHGJLNUGQTQ-WMAJYWJSSA-N 1 1 613.762 5.082 50 0 KKAAMO C[N@@H+](CCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1)Cc1ccccc1 ZINC000102773655 555062252 /nfs/dbraw/zinc/06/22/52/555062252.db2.gz FKKRLYFJKGSNQW-YQYKVWLJSA-N 1 1 552.074 6.169 50 0 KKAAMO Cc1cccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3)Sc3ccccc32)c1 ZINC000102780903 555066002 /nfs/dbraw/zinc/06/60/02/555066002.db2.gz FLGHCYOWABDMNM-PPFNPFNJSA-N 1 1 623.222 6.880 50 0 KKAAMO COc1ccc([C@H](C)[N@@H+](C[C@@H](O)CO[C@@H]2CCCc3ccccc32)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000102791406 555069044 /nfs/dbraw/zinc/06/90/44/555069044.db2.gz BGILIDOZSPNEAV-SFLNSBMESA-N 1 1 577.737 6.108 50 0 KKAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102839131 555080487 /nfs/dbraw/zinc/08/04/87/555080487.db2.gz LAKSICSFVMZEAB-SANMLTNESA-N 1 1 528.505 5.377 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000102889191 555123126 /nfs/dbraw/zinc/12/31/26/555123126.db2.gz DPJKNKLGQZQEMQ-VIJSPRBVSA-N 1 1 553.540 6.013 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000102889191 555123129 /nfs/dbraw/zinc/12/31/29/555123129.db2.gz DPJKNKLGQZQEMQ-VIJSPRBVSA-N 1 1 553.540 6.013 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000102889196 555123145 /nfs/dbraw/zinc/12/31/45/555123145.db2.gz DPJKNKLGQZQEMQ-HPQIJTKRSA-N 1 1 553.540 6.013 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc43)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000102889196 555123146 /nfs/dbraw/zinc/12/31/46/555123146.db2.gz DPJKNKLGQZQEMQ-HPQIJTKRSA-N 1 1 553.540 6.013 50 0 KKAAMO CCC1=C(C(=O)OC)[C@@H](c2cccc(C)c2)N2C(CC(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)=CSC2=N1 ZINC000102936707 555164676 /nfs/dbraw/zinc/16/46/76/555164676.db2.gz ZFFOOHIYXYNSBG-GDLZYMKVSA-N 1 1 544.721 5.176 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000103040002 555224616 /nfs/dbraw/zinc/22/46/16/555224616.db2.gz FWZPRJIMSLCVPB-MYUZEXMDSA-N 1 1 575.537 6.296 50 0 KKAAMO CCCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103061237 555242318 /nfs/dbraw/zinc/24/23/18/555242318.db2.gz CRAAZTDUHIJFSQ-QNLPTKCRSA-N 1 1 561.767 6.331 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COCc1ccccc1 ZINC000103062441 555243606 /nfs/dbraw/zinc/24/36/06/555243606.db2.gz UYEZIDABGSBKDM-SANMLTNESA-N 1 1 537.607 5.277 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@H](O)COCc1ccccc1 ZINC000103062441 555243608 /nfs/dbraw/zinc/24/36/08/555243608.db2.gz UYEZIDABGSBKDM-SANMLTNESA-N 1 1 537.607 5.277 50 0 KKAAMO COCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)c1ccccc1 ZINC000103065100 555245665 /nfs/dbraw/zinc/24/56/65/555245665.db2.gz XEVZHMKLALFZCM-MGBGTMOVSA-N 1 1 555.763 6.109 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)c1ccccc1 ZINC000103065100 555245666 /nfs/dbraw/zinc/24/56/66/555245666.db2.gz XEVZHMKLALFZCM-MGBGTMOVSA-N 1 1 555.763 6.109 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1F ZINC000103074722 555254549 /nfs/dbraw/zinc/25/45/49/555254549.db2.gz HQTGSAHHNMTHOT-UHFFFAOYSA-N 1 1 540.510 7.487 50 0 KKAAMO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccccc1F ZINC000103074722 555254551 /nfs/dbraw/zinc/25/45/51/555254551.db2.gz HQTGSAHHNMTHOT-UHFFFAOYSA-N 1 1 540.510 7.487 50 0 KKAAMO CC(C)(C)c1ccc2c(c1)N(Cc1nc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)co1)C(=O)CO2 ZINC000103083789 555262618 /nfs/dbraw/zinc/26/26/18/555262618.db2.gz GPFBXFQFXKJTHO-UHFFFAOYSA-N 1 1 564.686 5.445 50 0 KKAAMO O=C(Nc1ccc(F)c(F)c1F)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000103092407 555271415 /nfs/dbraw/zinc/27/14/15/555271415.db2.gz GHNNLYBEWGYUBI-UHFFFAOYSA-N 1 1 552.424 6.757 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)[C@@H]5CCC[C@@H](OC)C5)CC4)n3c2)c1 ZINC000103096083 555274127 /nfs/dbraw/zinc/27/41/27/555274127.db2.gz UBQUYBXAKSSAJP-XRKRLSELSA-N 1 1 552.719 5.916 50 0 KKAAMO C[C@H]1CN(c2cc(Cl)nc(SCC(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2)CCN1C(=O)NC(C)(C)C ZINC000103124975 555292994 /nfs/dbraw/zinc/29/29/94/555292994.db2.gz KSUXUHRVRLVCAU-DEOSSOPVSA-N 1 1 636.266 5.175 50 0 KKAAMO COc1ccc(OC)c(C[N@H+]2CCCN(c3nc(Cc4ccc(C)cc4)nc4c3c(C)nn4-c3ccccc3)CC2)c1 ZINC000103128571 555296746 /nfs/dbraw/zinc/29/67/46/555296746.db2.gz NETFNKWQRSJUHE-UHFFFAOYSA-N 1 1 562.718 5.753 50 0 KKAAMO COc1cc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)ccc1OC(=O)c1cccc(Br)c1 ZINC000103129874 555298466 /nfs/dbraw/zinc/29/84/66/555298466.db2.gz VECKYGCTJXVHKN-UHFFFAOYSA-N 1 1 599.323 7.499 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103167448 555323503 /nfs/dbraw/zinc/32/35/03/555323503.db2.gz KMBSGQASVNVNGI-IPBJYNAHSA-N 1 1 547.740 5.941 50 0 KKAAMO COC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CC[NH+](Cc4ccc(C)cc4)CC3)N2[C@@H]1c1ccc(C)cc1C ZINC000103168263 555324033 /nfs/dbraw/zinc/32/40/33/555324033.db2.gz QTGNTXSOEXZPBZ-GDLZYMKVSA-N 1 1 544.721 5.094 50 0 KKAAMO O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2cccc(Oc3ccccc3)c2)CC1 ZINC000103206962 555339150 /nfs/dbraw/zinc/33/91/50/555339150.db2.gz HMIIPLRLYUKGPB-UHFFFAOYSA-N 1 1 551.083 7.131 50 0 KKAAMO COc1cc(-c2[nH+]c3ccc(Br)cn3c2NC2CCCCC2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000103237584 555342504 /nfs/dbraw/zinc/34/25/04/555342504.db2.gz WPZXOQVKVZGSQW-UHFFFAOYSA-N 1 1 589.317 8.043 50 0 KKAAMO COc1cc(Cn2c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc3scc(Br)c32)cc(OC)c1 ZINC000103293036 555354235 /nfs/dbraw/zinc/35/42/35/555354235.db2.gz DOACDZHIJPTSBQ-UHFFFAOYSA-N 1 1 554.510 5.489 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)c1Oc1cccc(F)c1 ZINC000103319378 555358712 /nfs/dbraw/zinc/35/87/12/555358712.db2.gz KDSWTMPPBKCXQC-XMMPIXPASA-N 1 1 531.584 5.784 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccco2)c1Oc1cccc(F)c1 ZINC000103319378 555358714 /nfs/dbraw/zinc/35/87/14/555358714.db2.gz KDSWTMPPBKCXQC-XMMPIXPASA-N 1 1 531.584 5.784 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccc(C)cc4)c(C[NH+]4CCN(C(=O)[C@@H]5CCC[C@@H](OC)C5)CC4)n3c2)c1 ZINC000103360315 555364700 /nfs/dbraw/zinc/36/47/00/555364700.db2.gz XOWLTBUFTZDVDQ-PQHLKRTFSA-N 1 1 566.746 6.225 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)[C@H](C)C2)cc1 ZINC000103368067 555366245 /nfs/dbraw/zinc/36/62/45/555366245.db2.gz HYQQXDRNDJVNFO-HRFSGMKKSA-N 1 1 556.654 5.788 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)[C@H](C)C2)cc1 ZINC000103368067 555366247 /nfs/dbraw/zinc/36/62/47/555366247.db2.gz HYQQXDRNDJVNFO-HRFSGMKKSA-N 1 1 556.654 5.788 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2-c2cccc(C(F)(F)F)c2)CC1 ZINC000103405275 555391529 /nfs/dbraw/zinc/39/15/29/555391529.db2.gz GQTWVVFWZKUIMC-UHFFFAOYSA-N 1 1 565.665 5.947 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(Cc4ccccc4)n3-c3cccc(Cl)c3)c2)CC1 ZINC000103405332 555391534 /nfs/dbraw/zinc/39/15/34/555391534.db2.gz FULSIUHLVSQZEW-UHFFFAOYSA-N 1 1 532.113 5.582 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000103405495 555391750 /nfs/dbraw/zinc/39/17/50/555391750.db2.gz CSTFUZXEARCNQU-XCZPVHLTSA-N 1 1 549.900 5.759 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000103427527 555409039 /nfs/dbraw/zinc/40/90/39/555409039.db2.gz KTSLPWBGVINKLK-AREMUKBSSA-N 1 1 584.082 7.057 50 0 KKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169365034 562864427 /nfs/dbraw/zinc/86/44/27/562864427.db2.gz SQKDINORIMCUSU-JDLYIZNLSA-N 1 1 533.669 5.005 50 0 KKAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983333 571388662 /nfs/dbraw/zinc/38/86/62/571388662.db2.gz KBGXHVTYYITOHD-ILBGXUMGSA-N 1 1 502.508 5.280 50 0 KKAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CC(c2ccc(F)cc2)=NO1 ZINC000104983333 571388664 /nfs/dbraw/zinc/38/86/64/571388664.db2.gz KBGXHVTYYITOHD-ILBGXUMGSA-N 1 1 502.508 5.280 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984125 571388741 /nfs/dbraw/zinc/38/87/41/571388741.db2.gz SWZYKECGAJVVEB-DHIUTWEWSA-N 1 1 533.883 6.390 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984125 571388742 /nfs/dbraw/zinc/38/87/42/571388742.db2.gz SWZYKECGAJVVEB-DHIUTWEWSA-N 1 1 533.883 6.390 50 0 KKAAMO Cc1cc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000105042600 571390342 /nfs/dbraw/zinc/39/03/42/571390342.db2.gz RUPCVIAPEOZQPW-WNCULLNHSA-N 1 1 516.579 6.821 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H](c3ccc(F)c(C)c3)C[N@@H+](Cc3ccccc3Cl)C2)C1 ZINC000105046920 571390365 /nfs/dbraw/zinc/39/03/65/571390365.db2.gz GDURILCLJKJVSR-SMIHKQSGSA-N 1 1 501.042 5.195 50 0 KKAAMO Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)c(C)c1 ZINC000105060834 571390837 /nfs/dbraw/zinc/39/08/37/571390837.db2.gz KUGOJTZHVXDPIL-RNWIMVQKSA-N 1 1 569.768 5.072 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000105062169 571390924 /nfs/dbraw/zinc/39/09/24/571390924.db2.gz YFGKOZWXRWYBSB-YKGWIAGDSA-N 1 1 583.795 5.444 50 0 KKAAMO O=C(c1cccs1)[C@@H]1C(=C(O)c2ccc(Cl)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000106805994 571418396 /nfs/dbraw/zinc/41/83/96/571418396.db2.gz RFBREKCQAJPHJD-TVXPCSCSSA-N 1 1 537.040 6.383 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(CSc3nnc(-c4ccc(C)cc4)n3-c3ccccc3F)c2)CC1 ZINC000107130224 571419795 /nfs/dbraw/zinc/41/97/95/571419795.db2.gz SSTMMOPZSOHYAM-UHFFFAOYSA-N 1 1 515.658 5.452 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)CC1 ZINC000107128718 571419824 /nfs/dbraw/zinc/41/98/24/571419824.db2.gz WPTIMXGAUYREAY-UHFFFAOYSA-N 1 1 511.695 5.237 50 0 KKAAMO Clc1ccc2c(c1)C[C@@H](S[C@H](CCN1CC[NH+](Cc3ccccc3)CC1)c1ccccc1)c1ccccc1S2 ZINC000108800585 571426633 /nfs/dbraw/zinc/42/66/33/571426633.db2.gz FRNBINOLPGJIEE-ZFEZZJPFSA-N 1 1 571.255 8.771 50 0 KKAAMO CCOc1ccc2[nH]c(SCc3c(CSc4nc5ccc(OCC)cc5[nH]4)n(O)c4ccccc4[n+]3=O)nc2c1 ZINC000136022534 571449167 /nfs/dbraw/zinc/44/91/67/571449167.db2.gz RDDXUIFHKFPUMB-UHFFFAOYSA-N 1 1 575.696 5.928 50 0 KKAAMO CCOc1ccc2[nH]c(SCc3c(CSc4nc5ccc(OCC)cc5[nH]4)[n+](=O)c4ccccc4n3O)nc2c1 ZINC000136022534 571449169 /nfs/dbraw/zinc/44/91/69/571449169.db2.gz RDDXUIFHKFPUMB-UHFFFAOYSA-N 1 1 575.696 5.928 50 0 KKAAMO COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000137809556 571450667 /nfs/dbraw/zinc/45/06/67/571450667.db2.gz TWXKUKLOLJECQZ-FRXPANAUSA-N 1 1 525.649 5.287 50 0 KKAAMO COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000137809556 571450669 /nfs/dbraw/zinc/45/06/69/571450669.db2.gz TWXKUKLOLJECQZ-FRXPANAUSA-N 1 1 525.649 5.287 50 0 KKAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000150387847 571470427 /nfs/dbraw/zinc/47/04/27/571470427.db2.gz MTLNGSFUFRLJJD-STKMKYKTSA-N 1 1 643.640 7.225 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150396506 571476534 /nfs/dbraw/zinc/47/65/34/571476534.db2.gz KJHCZVNSRWMCSC-WJOKGBTCSA-N 1 1 668.691 6.321 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C(=O)OCC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150414236 571484901 /nfs/dbraw/zinc/48/49/01/571484901.db2.gz YGZMRESDSFEGSK-MGBGTMOVSA-N 1 1 671.864 5.191 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccc(C)cc3[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000150435689 571495741 /nfs/dbraw/zinc/49/57/41/571495741.db2.gz LRGYBFLJIOVOAW-CQMORRCISA-N 1 1 724.327 6.654 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000150435689 571495743 /nfs/dbraw/zinc/49/57/43/571495743.db2.gz LRGYBFLJIOVOAW-CQMORRCISA-N 1 1 724.327 6.654 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000150435689 571495745 /nfs/dbraw/zinc/49/57/45/571495745.db2.gz LRGYBFLJIOVOAW-CQMORRCISA-N 1 1 724.327 6.654 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169677358 571555024 /nfs/dbraw/zinc/55/50/24/571555024.db2.gz WRQAGDADNSFIDQ-GTYOFVGBSA-N 1 1 563.739 5.777 50 0 KKAAMO Cc1cccc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000169679940 571556714 /nfs/dbraw/zinc/55/67/14/571556714.db2.gz QJCSLMJOOZUZDU-GGXMVOPNSA-N 1 1 526.618 7.167 50 0 KKAAMO CC(C)c1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680838 571556952 /nfs/dbraw/zinc/55/69/52/571556952.db2.gz FCXWUYCGGPJHNB-SMSORMJASA-N 1 1 548.728 6.113 50 0 KKAAMO O=C(NCc1cccc(F)c1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681813 571557650 /nfs/dbraw/zinc/55/76/50/571557650.db2.gz PCRSEICAIJDUFM-AHWVRZQESA-N 1 1 515.526 5.163 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@H](C(=O)c2ccc(C(C)C)cc2)[C@@H](c2ccco2)C[N@@H+]3C)c1 ZINC000169700874 571559109 /nfs/dbraw/zinc/55/91/09/571559109.db2.gz BSBCUWSLTMAFCG-MRYJJYCOSA-N 1 1 532.684 6.990 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@H](C(=O)c2ccc(C(C)C)cc2)[C@@H](c2ccco2)C[N@H+]3C)c1 ZINC000169700874 571559110 /nfs/dbraw/zinc/55/91/10/571559110.db2.gz BSBCUWSLTMAFCG-MRYJJYCOSA-N 1 1 532.684 6.990 50 0 KKAAMO COc1cccc(C[N@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000225074201 571644443 /nfs/dbraw/zinc/64/44/43/571644443.db2.gz XUOSCCOZUPEBSV-CUBQBAPOSA-N 1 1 528.590 6.620 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1nc(-n2cccc2)sc1CCc1ccccc1 ZINC000263584816 572115383 /nfs/dbraw/zinc/11/53/83/572115383.db2.gz BEHKNSZTIDZYDI-LOSJGSFVSA-N 1 1 506.716 5.072 50 0 KKAAMO O=C(NC[C@H](c1cccc(C(F)(F)F)c1)[NH+]1CCCC1)c1cc(-c2ccc(Br)cc2)on1 ZINC000334163393 572154766 /nfs/dbraw/zinc/15/47/66/572154766.db2.gz ZTIGETXRUUDAMY-HXUWFJFHSA-N 1 1 508.338 5.690 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077498 572182870 /nfs/dbraw/zinc/18/28/70/572182870.db2.gz DXMUYWPFNJFQFJ-IHLOFXLRSA-N 1 1 529.750 6.388 50 0 KKAAMO COc1cc(C[N@@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)ccc1O ZINC000230156069 572184457 /nfs/dbraw/zinc/18/44/57/572184457.db2.gz FPEDYRLYOQPEPJ-BVAGGSTKSA-N 1 1 544.589 6.325 50 0 KKAAMO COC(=O)C[C@H]([NH2+][C@@H]1C(C)=C(C)C(=O)N1C[C@]1(C)CCC[C@@]2(C)c3ccc(C(C)C)cc3CC[C@@H]12)c1ccc(C)cc1C ZINC000239174343 572191444 /nfs/dbraw/zinc/19/14/44/572191444.db2.gz PUQWQRQRAFROSL-CPZWQFANSA-N 1 1 584.845 7.836 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000245279944 572224454 /nfs/dbraw/zinc/22/44/54/572224454.db2.gz KOEYRDGQDCSGTH-JWQCQUIFSA-N 1 1 528.093 5.785 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H]1CCCO1 ZINC000245279944 572224457 /nfs/dbraw/zinc/22/44/57/572224457.db2.gz KOEYRDGQDCSGTH-JWQCQUIFSA-N 1 1 528.093 5.785 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000245281365 572225099 /nfs/dbraw/zinc/22/50/99/572225099.db2.gz XRCKDGJZNFKXAW-DNQXCXABSA-N 1 1 515.601 5.018 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COC(C)C)C[C@H]1CCCO1 ZINC000245281365 572225102 /nfs/dbraw/zinc/22/51/02/572225102.db2.gz XRCKDGJZNFKXAW-DNQXCXABSA-N 1 1 515.601 5.018 50 0 KKAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@H]1C)C[C@@H](O)COCc1ccccc1 ZINC000245289665 572226328 /nfs/dbraw/zinc/22/63/28/572226328.db2.gz DIFHZIUDXDUUFQ-SHQCIBLASA-N 1 1 507.675 5.137 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000245327556 572234151 /nfs/dbraw/zinc/23/41/51/572234151.db2.gz KMBSGQASVNVNGI-SLGOVJDISA-N 1 1 547.740 5.941 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245328802 572235153 /nfs/dbraw/zinc/23/51/53/572235153.db2.gz PSLGIHCJIOLPNM-XNMGPUDCSA-N 1 1 507.675 5.386 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@H]1CCCO1 ZINC000245328802 572235154 /nfs/dbraw/zinc/23/51/54/572235154.db2.gz PSLGIHCJIOLPNM-XNMGPUDCSA-N 1 1 507.675 5.386 50 0 KKAAMO Cc1ccc([C@@H]2C[N@@H+](C)[C@]3(c4ccccc4N(Cc4cccc(Cl)c4)C3=O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000245343071 572237170 /nfs/dbraw/zinc/23/71/70/572237170.db2.gz DJLWVDRRJGUMIB-LTXBTDFWSA-N 1 1 521.060 6.619 50 0 KKAAMO Cc1ccc([C@@H]2C[N@H+](C)[C@]3(c4ccccc4N(Cc4cccc(Cl)c4)C3=O)[C@H]2C(=O)c2ccccc2)cc1 ZINC000245343071 572237172 /nfs/dbraw/zinc/23/71/72/572237172.db2.gz DJLWVDRRJGUMIB-LTXBTDFWSA-N 1 1 521.060 6.619 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)c(C)c1 ZINC000245343559 572238983 /nfs/dbraw/zinc/23/89/83/572238983.db2.gz RWCHXWGSPHPFOK-HHKOPIGSSA-N 1 1 504.630 6.175 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)c(C)c1 ZINC000245343559 572238984 /nfs/dbraw/zinc/23/89/84/572238984.db2.gz RWCHXWGSPHPFOK-HHKOPIGSSA-N 1 1 504.630 6.175 50 0 KKAAMO O=C(NCc1ccccc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459642 572242150 /nfs/dbraw/zinc/24/21/50/572242150.db2.gz AKGNESKOKPLXHH-NRFANRHFSA-N 1 1 503.444 5.316 50 0 KKAAMO O=C(NCc1ccccc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247459652 572242158 /nfs/dbraw/zinc/24/21/58/572242158.db2.gz AKGNESKOKPLXHH-OAQYLSRUSA-N 1 1 503.444 5.316 50 0 KKAAMO O=C(NCCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247488993 572242438 /nfs/dbraw/zinc/24/24/38/572242438.db2.gz LSHYSZGKDSNJPX-HSZRJFAPSA-N 1 1 521.492 5.962 50 0 KKAAMO O=C(NCCc1ccc(Cl)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247480307 572242639 /nfs/dbraw/zinc/24/26/39/572242639.db2.gz IRCZUIGYBZXPIR-UHFFFAOYSA-N 1 1 551.916 6.012 50 0 KKAAMO O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247521712 572242785 /nfs/dbraw/zinc/24/27/85/572242785.db2.gz XTUSRJUTTTZKFL-QGZVFWFLSA-N 1 1 541.852 6.431 50 0 KKAAMO O=C(Nc1cccc(Cl)c1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247500322 572242841 /nfs/dbraw/zinc/24/28/41/572242841.db2.gz PRBYFUUUUSTXDG-UHFFFAOYSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247520212 572242876 /nfs/dbraw/zinc/24/28/76/572242876.db2.gz XDXKPCHNAYDVIP-KRWDZBQOSA-N 1 1 541.852 6.431 50 0 KKAAMO O=C(NCc1ccccc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247526614 572242897 /nfs/dbraw/zinc/24/28/97/572242897.db2.gz ZKUYSKBEBNXWOD-NRFANRHFSA-N 1 1 503.444 5.316 50 0 KKAAMO O=C(NCCc1ccccc1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247497986 572242926 /nfs/dbraw/zinc/24/29/26/572242926.db2.gz OWBCBWPLJDJUGF-UHFFFAOYSA-N 1 1 517.471 5.359 50 0 KKAAMO O=C(Nc1ccc(F)c(Cl)c1)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247722617 572243676 /nfs/dbraw/zinc/24/36/76/572243676.db2.gz BOWLNNVMZPQBNF-UHFFFAOYSA-N 1 1 511.428 6.381 50 0 KKAAMO O=C(Nc1ccccc1F)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247721340 572243742 /nfs/dbraw/zinc/24/37/42/572243742.db2.gz AONHYCHFVMDJAD-SFHVURJKSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1ccccc1F)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247721340 572243743 /nfs/dbraw/zinc/24/37/43/572243743.db2.gz AONHYCHFVMDJAD-SFHVURJKSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247722393 572243770 /nfs/dbraw/zinc/24/37/70/572243770.db2.gz BGTZBAYFWACYIH-UHFFFAOYSA-N 1 1 568.313 6.401 50 0 KKAAMO O=C(Nc1cccc(Cl)c1Cl)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247742857 572244011 /nfs/dbraw/zinc/24/40/11/572244011.db2.gz OPABJOQLTNESLE-UHFFFAOYSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247731532 572244129 /nfs/dbraw/zinc/24/41/29/572244129.db2.gz HYZDJZNAWVBNPJ-QGZVFWFLSA-N 1 1 525.397 5.917 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247731532 572244130 /nfs/dbraw/zinc/24/41/30/572244130.db2.gz HYZDJZNAWVBNPJ-QGZVFWFLSA-N 1 1 525.397 5.917 50 0 KKAAMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247745052 572244407 /nfs/dbraw/zinc/24/44/07/572244407.db2.gz QGXNFAVKLDAMKC-UHFFFAOYSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247743021 572244428 /nfs/dbraw/zinc/24/44/28/572244428.db2.gz PDETVCOOSNBBRI-HXUWFJFHSA-N 1 1 537.889 6.351 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247743021 572244431 /nfs/dbraw/zinc/24/44/31/572244431.db2.gz PDETVCOOSNBBRI-HXUWFJFHSA-N 1 1 537.889 6.351 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247758629 572244645 /nfs/dbraw/zinc/24/46/45/572244645.db2.gz YVVNJENXJHTMEQ-LJQANCHMSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247758629 572244647 /nfs/dbraw/zinc/24/46/47/572244647.db2.gz YVVNJENXJHTMEQ-LJQANCHMSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247851198 572246390 /nfs/dbraw/zinc/24/63/90/572246390.db2.gz IUMSIEOZJKZUJC-JOCHJYFZSA-N 1 1 626.521 6.368 50 0 KKAAMO Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247860888 572246840 /nfs/dbraw/zinc/24/68/40/572246840.db2.gz GDKDCEAUVKOTPW-VWLOTQADSA-N 1 1 525.672 5.342 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247871733 572247082 /nfs/dbraw/zinc/24/70/82/572247082.db2.gz QYKGWKIXURMSDN-NRFANRHFSA-N 1 1 627.414 6.656 50 0 KKAAMO Cc1cccc(C)c1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000247872109 572247156 /nfs/dbraw/zinc/24/71/56/572247156.db2.gz LPVDYJOKRWDJMG-UHFFFAOYSA-N 1 1 525.672 5.342 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(OCc5ccccc5)cc4)C3)nc3ccccc32)cc1 ZINC000247875742 572247412 /nfs/dbraw/zinc/24/74/12/572247412.db2.gz GVJWDLSWQYZGAF-MUUNZHRXSA-N 1 1 560.698 6.523 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(OCc5ccccc5)cc4)C3)nc3ccccc32)cc1 ZINC000247875742 572247415 /nfs/dbraw/zinc/24/74/15/572247415.db2.gz GVJWDLSWQYZGAF-MUUNZHRXSA-N 1 1 560.698 6.523 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4cccc(C(F)(F)F)c4)CC3)nc3ccccc32)cc1 ZINC000247873447 572247530 /nfs/dbraw/zinc/24/75/30/572247530.db2.gz FQPDMDXPPLFYNS-UHFFFAOYSA-N 1 1 522.571 5.963 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5cccc(Cl)c5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247880064 572247873 /nfs/dbraw/zinc/24/78/73/572247873.db2.gz IVNMSAAPOHKQCN-XMMPIXPASA-N 1 1 592.571 5.961 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cc4Cl)C3)nc3ccccc32)cc1 ZINC000247899887 572248929 /nfs/dbraw/zinc/24/89/29/572248929.db2.gz QBXWLWRDZNKWLM-FQEVSTJZSA-N 1 1 523.464 6.251 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)cc4Cl)C3)nc3ccccc32)cc1 ZINC000247899887 572248930 /nfs/dbraw/zinc/24/89/30/572248930.db2.gz QBXWLWRDZNKWLM-FQEVSTJZSA-N 1 1 523.464 6.251 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(C)c(C)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247910069 572249167 /nfs/dbraw/zinc/24/91/67/572249167.db2.gz UERBSOCHHLJTAY-NDEPHWFRSA-N 1 1 551.735 5.271 50 0 KKAAMO COc1ccc(CNC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)cc1 ZINC000247920022 572249588 /nfs/dbraw/zinc/24/95/88/572249588.db2.gz XKMHPLCSNUTXNB-UHFFFAOYSA-N 1 1 533.470 5.325 50 0 KKAAMO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955201 572250564 /nfs/dbraw/zinc/25/05/64/572250564.db2.gz VEFWKOOXXOMUFV-NRFANRHFSA-N 1 1 594.518 5.668 50 0 KKAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1 ZINC000247989279 572251419 /nfs/dbraw/zinc/25/14/19/572251419.db2.gz LULIRUGBZXRONU-HXUWFJFHSA-N 1 1 503.444 5.947 50 0 KKAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000247991704 572251669 /nfs/dbraw/zinc/25/16/69/572251669.db2.gz KORTZXONCHZICR-OAQYLSRUSA-N 1 1 542.511 5.121 50 0 KKAAMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)cc1 ZINC000247998348 572251917 /nfs/dbraw/zinc/25/19/17/572251917.db2.gz RIBHGSYOJOEGJD-UHFFFAOYSA-N 1 1 503.444 5.947 50 0 KKAAMO CC[C@@H](C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248084249 572253213 /nfs/dbraw/zinc/25/32/13/572253213.db2.gz KJVJFTYMPTXSBF-FYBSXPHGSA-N 1 1 515.723 5.259 50 0 KKAAMO Cc1cccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)c1C ZINC000248079199 572253235 /nfs/dbraw/zinc/25/32/35/572253235.db2.gz IJGCZUGKYLAETH-UHFFFAOYSA-N 1 1 517.471 6.256 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000248099154 572253527 /nfs/dbraw/zinc/25/35/27/572253527.db2.gz JCJIPFFRMYUZOL-SANMLTNESA-N 1 1 542.127 5.607 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248109661 572253689 /nfs/dbraw/zinc/25/36/89/572253689.db2.gz RVLBJJXCIDMPPN-SUYBVONHSA-N 1 1 502.649 6.964 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000248120592 572254109 /nfs/dbraw/zinc/25/41/09/572254109.db2.gz RQMZNPBKOQAELH-FQUZAXHOSA-N 1 1 517.507 5.168 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@H]4[C@H]3C2=O)cc1 ZINC000248120592 572254110 /nfs/dbraw/zinc/25/41/10/572254110.db2.gz RQMZNPBKOQAELH-FQUZAXHOSA-N 1 1 517.507 5.168 50 0 KKAAMO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000248117846 572254125 /nfs/dbraw/zinc/25/41/25/572254125.db2.gz CAWYTZWQSARKTQ-QHCPKHFHSA-N 1 1 588.550 5.357 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2c2cccc(C(F)(F)F)c2)cc1 ZINC000248126341 572254432 /nfs/dbraw/zinc/25/44/32/572254432.db2.gz VARBROKZCAHOAP-UHSQPCAPSA-N 1 1 526.618 7.167 50 0 KKAAMO COc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000248124670 572254503 /nfs/dbraw/zinc/25/45/03/572254503.db2.gz HBNCXBWIWBXCLK-HSZRJFAPSA-N 1 1 588.550 5.357 50 0 KKAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)cc1 ZINC000248144933 572255425 /nfs/dbraw/zinc/25/54/25/572255425.db2.gz VGZGFYUMQWPCNQ-UHFFFAOYSA-N 1 1 519.443 5.647 50 0 KKAAMO COc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4cccc(Br)c4)CC3)CC2)c1 ZINC000248146291 572255447 /nfs/dbraw/zinc/25/54/47/572255447.db2.gz SODOWQDGERTXHB-UHFFFAOYSA-N 1 1 588.550 5.357 50 0 KKAAMO COc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000248145117 572255469 /nfs/dbraw/zinc/25/54/69/572255469.db2.gz SCYMZWGCVQESMG-RUZDIDTESA-N 1 1 558.126 5.307 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)CC3)CC2)c1C ZINC000248151120 572255555 /nfs/dbraw/zinc/25/55/55/572255555.db2.gz JZMWCLNVCBLRQO-UHFFFAOYSA-N 1 1 586.578 5.966 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1C ZINC000248149078 572255589 /nfs/dbraw/zinc/25/55/89/572255589.db2.gz IZDXSWVXMTVZCC-VWLOTQADSA-N 1 1 586.578 5.966 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c1C ZINC000248152944 572255740 /nfs/dbraw/zinc/25/57/40/572255740.db2.gz KNFYZLOWBBUDMA-RUZDIDTESA-N 1 1 525.672 5.342 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4cccc(Br)c4)CC3)CC2)c1C ZINC000248177377 572256303 /nfs/dbraw/zinc/25/63/03/572256303.db2.gz ZSFUONVGYNZLPI-UHFFFAOYSA-N 1 1 586.578 5.966 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248209121 572256626 /nfs/dbraw/zinc/25/66/26/572256626.db2.gz CKYFFCMWEQOLFE-IGKIAQTJSA-N 1 1 530.581 6.998 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccnc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248245040 572256983 /nfs/dbraw/zinc/25/69/83/572256983.db2.gz QBHQFXCSRWJHIQ-IGKIAQTJSA-N 1 1 513.579 6.254 50 0 KKAAMO C[C@@H](NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000248254215 572257285 /nfs/dbraw/zinc/25/72/85/572257285.db2.gz NKOLXEPLDBMQRT-HXUWFJFHSA-N 1 1 517.471 5.877 50 0 KKAAMO C[C@H](NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262282 572257477 /nfs/dbraw/zinc/25/74/77/572257477.db2.gz RCSJLSWMZMUQPD-UNMCSNQZSA-N 1 1 517.471 5.877 50 0 KKAAMO CCCCN(CCCC)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000248269411 572257608 /nfs/dbraw/zinc/25/76/08/572257608.db2.gz YYCNHTPSXOSXIW-UHFFFAOYSA-N 1 1 525.535 6.429 50 0 KKAAMO CCCCN(CCCC)C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000248267866 572257625 /nfs/dbraw/zinc/25/76/25/572257625.db2.gz YMLPYAGORWJYQF-UHFFFAOYSA-N 1 1 525.535 6.429 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248271391 572257640 /nfs/dbraw/zinc/25/76/40/572257640.db2.gz ZPDPGUJIQJJTSK-OZXSUGGESA-N 1 1 500.630 6.781 50 0 KKAAMO C[C@@H](NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274430 572257769 /nfs/dbraw/zinc/25/77/69/572257769.db2.gz XQGNBFUTMDLDSY-IRLDBZIGSA-N 1 1 517.471 5.877 50 0 KKAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CC[N@@H+](Cc5ccccc5)C[C@H]43)C2=O)cc1 ZINC000248288233 572257825 /nfs/dbraw/zinc/25/78/25/572257825.db2.gz HMYBVOZWVICHGA-QCENPCRXSA-N 1 1 587.518 5.282 50 0 KKAAMO Cc1cc2c(c(C)c1)NC(=O)[C@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000248332826 572258205 /nfs/dbraw/zinc/25/82/05/572258205.db2.gz JLEJNNHBBFNPSP-XCQPVXNCSA-N 1 1 556.460 5.081 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000251921264 572259539 /nfs/dbraw/zinc/25/95/39/572259539.db2.gz ASKZBLJJRVZGOF-HHHXNRCGSA-N 1 1 556.154 5.861 50 0 KKAAMO CCc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3Cc3ccc(OC)cc3)CC2)CC1 ZINC000252001859 572259673 /nfs/dbraw/zinc/25/96/73/572259673.db2.gz MUAVQABLHBGJBL-UHFFFAOYSA-N 1 1 551.735 5.216 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(OC)cc4)C3)CC2)cc1 ZINC000251975197 572259696 /nfs/dbraw/zinc/25/96/96/572259696.db2.gz DEDUOBRMIYYFDG-NDEPHWFRSA-N 1 1 551.735 5.216 50 0 KKAAMO CCc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(OC)cc3)C2)CC1 ZINC000252014929 572259862 /nfs/dbraw/zinc/25/98/62/572259862.db2.gz VCHGAFODUWOKBJ-MUUNZHRXSA-N 1 1 551.735 5.216 50 0 KKAAMO CCCc1ccccc1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000252077448 572259938 /nfs/dbraw/zinc/25/99/38/572259938.db2.gz DICIOXXWGFKPEX-UHFFFAOYSA-N 1 1 531.498 6.591 50 0 KKAAMO CC(C)c1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000252370347 572260170 /nfs/dbraw/zinc/26/01/70/572260170.db2.gz XPTUSGJIPBGRPB-RUZDIDTESA-N 1 1 600.605 6.472 50 0 KKAAMO CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@H](O)C[N@@H+](Cc3ccccc3)[C@@H]3CCCC[C@H]3O)cc21 ZINC000252427782 572260371 /nfs/dbraw/zinc/26/03/71/572260371.db2.gz FYFSRXZMCFPCDK-WDZQTAOZSA-N 1 1 570.730 5.969 50 0 KKAAMO CCOC(=O)c1c(C)n(C[C@H](O)C[N@@H+]2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)c2cc(Br)c(OC)cc21 ZINC000252629920 572271328 /nfs/dbraw/zinc/27/13/28/572271328.db2.gz UQIRMWXTOWCMDV-FQRUVTKNSA-N 1 1 594.550 5.915 50 0 KKAAMO CCOC(=O)c1c(C)n(C[C@H](O)C[N@H+]2CCn3c4ccc(C)cc4c4c3[C@H]2CCC4)c2cc(Br)c(OC)cc21 ZINC000252629920 572271329 /nfs/dbraw/zinc/27/13/29/572271329.db2.gz UQIRMWXTOWCMDV-FQRUVTKNSA-N 1 1 594.550 5.915 50 0 KKAAMO C[C@@H](C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1)[N@@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000253371486 572282124 /nfs/dbraw/zinc/28/21/24/572282124.db2.gz BLAQZSUKHHJVMW-PZGXJGMVSA-N 1 1 509.675 5.222 50 0 KKAAMO C[C@@H](C(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1)[N@H+]1CCc2sccc2[C@H]1c1ccccc1 ZINC000253371486 572282126 /nfs/dbraw/zinc/28/21/26/572282126.db2.gz BLAQZSUKHHJVMW-PZGXJGMVSA-N 1 1 509.675 5.222 50 0 KKAAMO CC(C)Oc1ccc(C(O)=C2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000253373744 572282212 /nfs/dbraw/zinc/28/22/12/572282212.db2.gz JZSUNOCFUSEVEY-HQMQMYHNSA-N 1 1 560.675 6.517 50 0 KKAAMO CC1=C2C[C@@H]3[C@H](C[N@H+]4CC[C@@H](c5ccc(F)cc5)[C@H](COc5ccc6c(c5)OCO6)C4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 ZINC000253387631 572282558 /nfs/dbraw/zinc/28/25/58/572282558.db2.gz JGPPKNUAZRWESR-IRKAFYBISA-N 1 1 561.694 6.497 50 0 KKAAMO CC(C)c1ccccc1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000253607385 572300881 /nfs/dbraw/zinc/30/08/81/572300881.db2.gz QOZAFQXLLZHVME-UHFFFAOYSA-N 1 1 531.498 6.762 50 0 KKAAMO CCCc1ccccc1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000253607435 572300888 /nfs/dbraw/zinc/30/08/88/572300888.db2.gz SSOGMUVQELMDJN-UHFFFAOYSA-N 1 1 531.498 6.591 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000253607345 572300948 /nfs/dbraw/zinc/30/09/48/572300948.db2.gz OQJGNVHGCCEQBU-AREMUKBSSA-N 1 1 600.605 6.301 50 0 KKAAMO CC(C)c1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)cc1 ZINC000253607344 572300995 /nfs/dbraw/zinc/30/09/95/572300995.db2.gz OOWXGCWVPYIQHU-UHFFFAOYSA-N 1 1 539.699 5.849 50 0 KKAAMO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)cc1 ZINC000253607284 572300999 /nfs/dbraw/zinc/30/09/99/572300999.db2.gz IWUZQACKDHRKMF-UHFFFAOYSA-N 1 1 531.498 6.762 50 0 KKAAMO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Oc2ccccc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150516362 1069821698 /nfs/dbraw/zinc/82/16/98/1069821698.db2.gz VEEMGQXOOWVFSO-VZUYHUTRSA-N 1 1 681.880 9.938 50 0 KKAAMO O=C(C[C@@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(OCc2ccccc2)c1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000150516353 1069821877 /nfs/dbraw/zinc/82/18/77/1069821877.db2.gz OHRFGRKBFAFQDK-USYZEHPZSA-N 1 1 695.907 9.724 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc(N4CCCCC4)cc3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101856435 1069820761 /nfs/dbraw/zinc/82/07/61/1069820761.db2.gz ZBIJYGKQNNZRCE-SSEXGKCCSA-N 1 1 562.758 6.788 50 0 KKAAMO C[N@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101936670 1069824179 /nfs/dbraw/zinc/82/41/79/1069824179.db2.gz JBLOXHQFXNLXLO-MHZLTWQESA-N 1 1 545.687 6.188 50 0 KKAAMO C[N@@H+](Cc1cccc(OC[C@H]2CCCN(C(=O)c3cc(-c4ccccc4)[nH]n3)C2)c1)Cc1ccc2ncccc2c1 ZINC000101936670 1069824200 /nfs/dbraw/zinc/82/42/00/1069824200.db2.gz JBLOXHQFXNLXLO-MHZLTWQESA-N 1 1 545.687 6.188 50 0 KKAAMO CCCCc1cc(=O)oc2c3c(cc(OCC(=O)N(C)C[C@@H]4CCC[N@H+]5CCCC[C@H]45)c12)OC(C)(C)CC3 ZINC000524730080 1069829287 /nfs/dbraw/zinc/82/92/87/1069829287.db2.gz UZJIFXURCPWVRJ-LADGPHEKSA-N 1 1 524.702 5.341 50 0 KKAAMO O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000102112804 1069843020 /nfs/dbraw/zinc/84/30/20/1069843020.db2.gz LVKQRJHUSOIMLF-DEOSSOPVSA-N 1 1 555.616 6.098 50 0 KKAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)N2CCCCCCC2)CC1 ZINC000102128637 1069843703 /nfs/dbraw/zinc/84/37/03/1069843703.db2.gz JRIBTVDKDBJPQE-XZWHSSHBSA-N 1 1 532.773 5.281 50 0 KKAAMO COCCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCc1cc2c(cc1OC)oc(=O)cc2-c1ccccc1 ZINC000583652885 1069851766 /nfs/dbraw/zinc/85/17/66/1069851766.db2.gz LLTGVRIILDILAJ-LEAFIULHSA-N 1 1 532.681 5.141 50 0 KKAAMO C[C@@H]1CCC[N@@H+](Cc2cc(-c3ccc4c(c3)OCO4)ccc2OCC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000102658419 1069861248 /nfs/dbraw/zinc/86/12/48/1069861248.db2.gz SJLPMFGAMSCUAP-HSZRJFAPSA-N 1 1 545.655 5.181 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)c3ccc4ccccc4n3)CC2)cc1 ZINC000102706220 1069864576 /nfs/dbraw/zinc/86/45/76/1069864576.db2.gz WGYULRUSXDDPDI-UHFFFAOYSA-N 1 1 550.728 5.918 50 0 KKAAMO CSc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3nc(-c5ccccc5)cs3)C4=O)CC2)cc1 ZINC000102713071 1069865986 /nfs/dbraw/zinc/86/59/86/1069865986.db2.gz JIWPNJMQYACLGT-UHFFFAOYSA-N 1 1 540.714 5.650 50 0 KKAAMO O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CCC(Oc2cccc(C[NH+]3CCN(c4ccccn4)CC3)c2)CC1 ZINC000102712456 1069866035 /nfs/dbraw/zinc/86/60/35/1069866035.db2.gz XSEUOXLSYXWLDR-UHFFFAOYSA-N 1 1 550.678 5.894 50 0 KKAAMO O=C(c1ccc(-c2cccc(F)c2)cc1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000299784367 1071049285 /nfs/dbraw/zinc/04/92/85/1071049285.db2.gz XLXMHKOLDJUBHT-UHFFFAOYSA-N 1 1 564.705 5.889 50 0 KKAAMO O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC(Oc2cccc(C[NH+]3CCN(Cc4cccnc4)CC3)c2)CC1 ZINC000299781307 1071128894 /nfs/dbraw/zinc/12/88/94/1071128894.db2.gz DHBSCHKYUWUNRW-UHFFFAOYSA-N 1 1 564.705 5.889 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc(F)cc3)C[C@H](C(=O)NCc3cccc4ccccc43)C2)cc1OC ZINC000199305523 1071135619 /nfs/dbraw/zinc/13/56/19/1071135619.db2.gz SGGIMIRNDIXKNN-IZZNHLLZSA-N 1 1 555.650 5.389 50 0 KKAAMO O=C(NCCCn1ccnc1)[C@@H]1C[C@H](COc2ccc3c(c2)CCC3)C[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000199298477 1071136343 /nfs/dbraw/zinc/13/63/43/1071136343.db2.gz TWHFINAAIJIATJ-SUYBVONHSA-N 1 1 522.693 5.249 50 0 KKAAMO CC(C)n1cc(CN2CCC[N@@H+](Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC2)c2ccccc21 ZINC000257179190 1071185702 /nfs/dbraw/zinc/18/57/02/1071185702.db2.gz CKUKQQNJIARHJA-HKBQPEDESA-N 1 1 509.698 5.573 50 0 KKAAMO CC(C)n1cc(C[N@@H+]2CCCN(Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC2)c2ccccc21 ZINC000257179190 1071185708 /nfs/dbraw/zinc/18/57/08/1071185708.db2.gz CKUKQQNJIARHJA-HKBQPEDESA-N 1 1 509.698 5.573 50 0 KKAAMO CC(C)n1cc(C[N@H+]2CCCN(Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC2)c2ccccc21 ZINC000257179190 1071185711 /nfs/dbraw/zinc/18/57/11/1071185711.db2.gz CKUKQQNJIARHJA-HKBQPEDESA-N 1 1 509.698 5.573 50 0 KKAAMO O=C1c2cccc(N3CC[NH+](C/C=C/c4ccccc4)CC3)c2C(=O)N1Cc1nc(-c2ccccc2)cs1 ZINC000011791473 1071232084 /nfs/dbraw/zinc/23/20/84/1071232084.db2.gz QEBUHPKBVAXEJI-DHZHZOJOSA-N 1 1 520.658 5.442 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@@H]2CCCCN2C(=O)c2cncs2)c1)Cc1cccc2cccnc21 ZINC000012219023 1071239336 /nfs/dbraw/zinc/23/93/36/1071239336.db2.gz IACHRYYGUZIACD-VWLOTQADSA-N 1 1 500.668 5.787 50 0 KKAAMO C[N@@H+](Cc1ccsc1)Cc1cccc(OC2CCN(C(=O)c3cccc(-c4ccc(F)cc4)c3)CC2)c1 ZINC000014986486 1071245990 /nfs/dbraw/zinc/24/59/90/1071245990.db2.gz CDHPBIZNWMBFGE-UHFFFAOYSA-N 1 1 514.666 6.870 50 0 KKAAMO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)N(CCOC)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000604405519 1071272519 /nfs/dbraw/zinc/27/25/19/1071272519.db2.gz PECIXVUWPYJWKS-PLBFFYOZSA-N 1 1 706.925 5.429 50 0 KKAAMO C[C@@H]1C[N@@H+](C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618256062 1071277858 /nfs/dbraw/zinc/27/78/58/1071277858.db2.gz DZZYZKOBXCXXSU-GOSISDBHSA-N 1 1 553.050 5.271 50 0 KKAAMO C[C@@H]1C[N@H+](C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CCN1c1ncc(C(F)(F)F)cc1Cl ZINC000618256062 1071277860 /nfs/dbraw/zinc/27/78/60/1071277860.db2.gz DZZYZKOBXCXXSU-GOSISDBHSA-N 1 1 553.050 5.271 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000200489532 1071290366 /nfs/dbraw/zinc/29/03/66/1071290366.db2.gz HUULMZMICOBDHC-UKILVPOCSA-N 1 1 595.662 6.080 50 0 KKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H](C(=O)NCCc2c[nH]c3ccccc23)C[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000200487534 1071290463 /nfs/dbraw/zinc/29/04/63/1071290463.db2.gz UZDRPTDQRHMNOI-XZOQPEGZSA-N 1 1 537.639 5.224 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NCCc3c[nH]c4ccccc34)C[C@H](COc3cccc(F)c3)C2)cc1OC ZINC000200507471 1071290484 /nfs/dbraw/zinc/29/04/84/1071290484.db2.gz CDZYGBZDMAARKI-UKILVPOCSA-N 1 1 545.655 5.200 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2ccc(F)cc2)C[N@H+](Cc2c[nH]c3ccccc23)C1 ZINC000200516214 1071290550 /nfs/dbraw/zinc/29/05/50/1071290550.db2.gz KYNJOIAQJNUSDH-LOSJGSFVSA-N 1 1 524.640 5.189 50 0 KKAAMO COc1ccccc1CNC(=O)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@@H+](Cc2ccc(OC)c(OC)c2)C1 ZINC000200501779 1071290668 /nfs/dbraw/zinc/29/06/68/1071290668.db2.gz DANYENRHJBNSQK-LADGPHEKSA-N 1 1 572.624 5.565 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2ccc3c(c2)OCO3)c(=O)n1-c1ccccc1C(F)(F)F ZINC000254615059 1072867248 /nfs/dbraw/zinc/86/72/48/1072867248.db2.gz PHQAMHROSQSCIU-UHFFFAOYSA-N 1 1 694.735 5.083 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)NC3CCCCC3)C[C@H](COc3cccc(C(F)(F)F)c3)C2)cc1OC ZINC000014742695 1072892471 /nfs/dbraw/zinc/89/24/71/1072892471.db2.gz MANHWGIYZVYBLX-FCHUYYIVSA-N 1 1 534.619 5.689 50 0 KKAAMO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3cccc(F)c3)CC2)c1)Cc1cccc2ccccc21 ZINC000014975127 1072893506 /nfs/dbraw/zinc/89/35/06/1072893506.db2.gz UPCMEFQLGCFISB-UHFFFAOYSA-N 1 1 511.641 5.448 50 0 KKAAMO Cc1nc(C(=O)N2CCN(CCOc3cccc(C[N@H+](C)Cc4cccc5ccccc54)c3)CC2)cs1 ZINC000014967429 1072893831 /nfs/dbraw/zinc/89/38/31/1072893831.db2.gz KHDBARCJMZWDHS-UHFFFAOYSA-N 1 1 514.695 5.074 50 0 KKAAMO Cc1ccsc1C(=O)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000014993879 1072895319 /nfs/dbraw/zinc/89/53/19/1072895319.db2.gz AGFGIGCTHPDOLU-DEOSSOPVSA-N 1 1 507.675 5.449 50 0 KKAAMO Cc1nc(C(=O)N2CCN(CCOc3ccc(C[N@@H+](C)Cc4cc5ccccc5s4)cc3)CC2)cs1 ZINC000020294888 1072898207 /nfs/dbraw/zinc/89/82/07/1072898207.db2.gz KOYIZOSCXLAZSG-UHFFFAOYSA-N 1 1 520.724 5.135 50 0 KKAAMO C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@@H](O)[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@H+]3[C@@H]4O)CC[C@@H]12 ZINC001501058422 1072922388 /nfs/dbraw/zinc/92/23/88/1072922388.db2.gz DYEOLAMWQVWASS-QMARKCQSSA-N 1 1 526.743 5.943 50 0 KKAAMO C[C@@H]1CC[C@@H](c2ccoc2)N2[C@@H](O)[C@]3(CS[C@]4(C3)CC[C@H]3[C@H](C)CC[C@@H](c5ccoc5)[N@@H+]3[C@@H]4O)CC[C@@H]12 ZINC001501058422 1072922392 /nfs/dbraw/zinc/92/23/92/1072922392.db2.gz DYEOLAMWQVWASS-QMARKCQSSA-N 1 1 526.743 5.943 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(F)cc2)cc1Br ZINC000000635949 551506085 /nfs/dbraw/zinc/50/60/85/551506085.db2.gz NNSXIORANUKBPJ-DNQXCXABSA-N 1 1 505.347 5.401 50 0 KKAAMO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001287891 551637066 /nfs/dbraw/zinc/63/70/66/551637066.db2.gz KDFZQUKJCOGDTK-VPUSJEBWSA-N 1 1 580.054 6.744 50 0 KKAAMO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001287889 551637088 /nfs/dbraw/zinc/63/70/88/551637088.db2.gz KDFZQUKJCOGDTK-XNMGPUDCSA-N 1 1 580.054 6.744 50 0 KKAAMO Cc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(Br)cc4)N2[C@@H]3c2ccc(C)cc2)cc1 ZINC000001826021 551709972 /nfs/dbraw/zinc/70/99/72/551709972.db2.gz YNMDWUYVHVQQAK-ZMJKQRLJSA-N 1 1 554.557 7.807 50 0 KKAAMO CCOc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(Nc4ccc([NH+](CC)CC)cc4)=Nc4ccccc4N32)cc1 ZINC000001839306 551713600 /nfs/dbraw/zinc/71/36/00/551713600.db2.gz APWDFGJGDACCCZ-UMSFTDKQSA-N 1 1 595.751 8.221 50 0 KKAAMO CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C[NH2+]Cc3cccnc3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000002072936 551748092 /nfs/dbraw/zinc/74/80/92/551748092.db2.gz QDTNRGXLAFVRPZ-SFHVURJKSA-N 1 1 555.542 6.037 50 0 KKAAMO Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002248966 551800851 /nfs/dbraw/zinc/80/08/51/551800851.db2.gz YOXKRFIYMSUROM-RPWUZVMVSA-N 1 1 505.803 6.215 50 0 KKAAMO Cc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000002257584 551803219 /nfs/dbraw/zinc/80/32/19/551803219.db2.gz BWEGCPNWTAVCJH-BJKOFHAPSA-N 1 1 505.803 6.215 50 0 KKAAMO CCOC(=O)CN1C(c2ccc(Br)cc2)=[NH+]c2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000002280719 551806090 /nfs/dbraw/zinc/80/60/90/551806090.db2.gz NLWVNXPEYXOPOL-QHCPKHFHSA-N 1 1 528.244 6.258 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccccc3Cl)CC2)cc1 ZINC000002715280 552161442 /nfs/dbraw/zinc/16/14/42/552161442.db2.gz SBGJIMCCBVHALC-UHFFFAOYSA-N 1 1 510.041 6.466 50 0 KKAAMO Brc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3NCCC(c2ccccc2)c2ccccc2)cc1 ZINC000002715063 552161471 /nfs/dbraw/zinc/16/14/71/552161471.db2.gz QMPAKVPOHXUTEX-UHFFFAOYSA-N 1 1 559.511 8.484 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000002916748 552217706 /nfs/dbraw/zinc/21/77/06/552217706.db2.gz QXOZBEWPFLTWJR-JWQCQUIFSA-N 1 1 517.383 5.271 50 0 KKAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)c(Br)c2)c1 ZINC000002916797 552217772 /nfs/dbraw/zinc/21/77/72/552217772.db2.gz GHTZUMZCMMNKHH-DQEYMECFSA-N 1 1 517.383 5.271 50 0 KKAAMO COc1cccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(OC)c(Br)c2)c1 ZINC000002916799 552217797 /nfs/dbraw/zinc/21/77/97/552217797.db2.gz GHTZUMZCMMNKHH-LOSJGSFVSA-N 1 1 517.383 5.271 50 0 KKAAMO C[N@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)Cc1ccccc1 ZINC000002973644 552245464 /nfs/dbraw/zinc/24/54/64/552245464.db2.gz UUPAOBCAVNKZEH-UHFFFAOYSA-N 1 1 551.510 5.122 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc(Cn2c(=O)c3cc(Br)ccc3[nH]c2=S)cc1)Cc1ccccc1 ZINC000002973644 552245465 /nfs/dbraw/zinc/24/54/65/552245465.db2.gz UUPAOBCAVNKZEH-UHFFFAOYSA-N 1 1 551.510 5.122 50 0 KKAAMO Cc1cccc(CN2c3ccccc3S/C(=C/c3ccc(C(=O)N4CC[NH+](Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000003061353 552282354 /nfs/dbraw/zinc/28/23/54/552282354.db2.gz PMMKNZFRETUGAA-GZZLJNBRSA-N 1 1 559.735 6.633 50 0 KKAAMO COc1ccc(C[C@H]2c3cc(OCc4ccccc4)c(OC)cc3CC[N@@H+]2C)cc1OCc1ccccc1 ZINC000003124420 552291247 /nfs/dbraw/zinc/29/12/47/552291247.db2.gz KPLQJTFFMWUSLS-LJAQVGFWSA-N 1 1 509.646 6.634 50 0 KKAAMO CCOC(=O)c1c(NC=C2c3ccccc3C(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)sc2c1CC[N@@H+](CC)C2 ZINC000003415097 552382601 /nfs/dbraw/zinc/38/26/01/552382601.db2.gz NLLAMQKGDGFIRS-JJIBRWJFSA-N 1 1 573.671 5.120 50 0 KKAAMO COc1ccc(C(OC[C@H](O)C[N@@H+](C)Cc2cc(Br)ccc2OC)c2ccc(OC)cc2)cc1 ZINC000003495904 552390637 /nfs/dbraw/zinc/39/06/37/552390637.db2.gz RGXBRPGHYPIBKJ-HSZRJFAPSA-N 1 1 530.459 5.074 50 0 KKAAMO Cc1ccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)cc3)C2=O)cc1 ZINC000003586636 552391819 /nfs/dbraw/zinc/39/18/19/552391819.db2.gz JXLHZJOGWODNPD-SRWDPJRNSA-N 1 1 523.677 5.814 50 0 KKAAMO COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(c(OC)cc4CC[N@H+]1C)Oc1cc(ccc1O)C[C@H]3N(C)CC2 ZINC000004098030 552436445 /nfs/dbraw/zinc/43/64/45/552436445.db2.gz NGZXDRGWBULKFA-VSGBNLITSA-N 1 1 594.708 6.556 50 0 biogenic,in-vitro KKAAMO COc1cc2c3c(c1O)Oc1ccc(cc1)C[C@@H]1c4cc(c(OC)cc4CC[N@@H+]1C)Oc1cc(ccc1O)C[C@H]3N(C)CC2 ZINC000004098030 552436448 /nfs/dbraw/zinc/43/64/48/552436448.db2.gz NGZXDRGWBULKFA-VSGBNLITSA-N 1 1 594.708 6.556 50 0 biogenic,in-vitro KKAAMO CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc1 ZINC000006166902 552557767 /nfs/dbraw/zinc/55/77/67/552557767.db2.gz VAVZKHHLXDSACO-UHFFFAOYSA-N 1 1 609.641 8.071 50 0 KKAAMO CCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc1 ZINC000006166926 552557830 /nfs/dbraw/zinc/55/78/30/552557830.db2.gz XVHNTSZGFKAFDQ-UHFFFAOYSA-N 1 1 630.059 8.416 50 0 KKAAMO COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3n2)cc1 ZINC000008444835 553052044 /nfs/dbraw/zinc/05/20/44/553052044.db2.gz NRNMWEMWIAJBCL-UHFFFAOYSA-N 1 1 571.603 5.971 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O ZINC000008597811 553094150 /nfs/dbraw/zinc/09/41/50/553094150.db2.gz MAGIWMBDQXZCBT-XMMPIXPASA-N 1 1 563.695 5.203 50 0 KKAAMO Cc1ccc(C)c(CN2c3cc(C(=O)NCCC[N@@H+]4CCC[C@@H](C)C4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000008598088 553094616 /nfs/dbraw/zinc/09/46/16/553094616.db2.gz VHDBKCPLWJLJRC-HSZRJFAPSA-N 1 1 559.732 5.148 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000009066053 553206131 /nfs/dbraw/zinc/20/61/31/553206131.db2.gz LAYVABPTMMISSK-HPQIJTKRSA-N 1 1 519.988 5.647 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000009066053 553206133 /nfs/dbraw/zinc/20/61/33/553206133.db2.gz LAYVABPTMMISSK-HPQIJTKRSA-N 1 1 519.988 5.647 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](Cc2ccccc2)C(C)C)[C@H]1c1cccs1 ZINC000009433323 553263160 /nfs/dbraw/zinc/26/31/60/553263160.db2.gz JHWNGRAWSBQZHE-FQLXRVMXSA-N 1 1 517.739 6.102 50 0 KKAAMO CC[C@H](C)[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccco1 ZINC000009433698 553263546 /nfs/dbraw/zinc/26/35/46/553263546.db2.gz ZMIQZIMIKPRVMV-UNUDWIFVSA-N 1 1 533.738 6.371 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1)Cc1ccccc1 ZINC000009433696 553263667 /nfs/dbraw/zinc/26/36/67/553263667.db2.gz DXMUYWPFNJFQFJ-XZWHSSHBSA-N 1 1 529.750 6.388 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 ZINC000009531112 553277802 /nfs/dbraw/zinc/27/78/02/553277802.db2.gz URYLBPPZXYCAFE-UHFFFAOYSA-N 1 1 503.606 5.625 50 0 KKAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000009693927 553299287 /nfs/dbraw/zinc/29/92/87/553299287.db2.gz WLSPIKDJQRSWEH-NRFANRHFSA-N 1 1 513.469 5.518 50 0 KKAAMO CCCC[N@@H+](CC)CCNC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009836112 553310488 /nfs/dbraw/zinc/31/04/88/553310488.db2.gz CBKPNMDLZXYGLC-LOYHVIPDSA-N 1 1 531.672 5.553 50 0 KKAAMO C[N@H+]1CCC[C@@H](COc2cc(-c3cccc(Cl)c3)cc3c2OCCN(C(=O)Cc2ccsc2)C3)C1 ZINC000011813094 553343489 /nfs/dbraw/zinc/34/34/89/553343489.db2.gz NTODEFXBXUEMQA-OAQYLSRUSA-N 1 1 511.087 5.753 50 0 KKAAMO COc1ccc([C@@H]2CC(c3c(=O)[nH]c4ccc(Cl)cc4c3-c3ccccc3)=NN2C(=O)C[NH+]2CCCCC2)cc1 ZINC000011852334 553344794 /nfs/dbraw/zinc/34/47/94/553344794.db2.gz OHTJGYOJKYELKH-NDEPHWFRSA-N 1 1 555.078 6.021 50 0 KKAAMO CC(=O)Nc1ccc(C(=O)N2CCC(Oc3ccc(C[N@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)cc1 ZINC000012152084 553352819 /nfs/dbraw/zinc/35/28/19/553352819.db2.gz JBJLHJKAMZJWAN-UHFFFAOYSA-N 1 1 522.649 5.509 50 0 KKAAMO O=C1CC[C@@H]2C[N@H+](Cc3cccc(OCc4ccccc4)c3)CC[C@@H]2N1Cc1cccc(C(F)(F)F)c1 ZINC000012161393 553352912 /nfs/dbraw/zinc/35/29/12/553352912.db2.gz LXSAKYQQPNKRBO-NAKRPHOHSA-N 1 1 508.584 6.298 50 0 KKAAMO Cc1ccc(C(=O)N2CCCC[C@@H]2CCOc2ccc(C[N@H+](C)Cc3cccc4ncccc34)cc2)cc1 ZINC000012156798 553352983 /nfs/dbraw/zinc/35/29/83/553352983.db2.gz KSUVYWWDWQLDER-GDLZYMKVSA-N 1 1 507.678 6.639 50 0 KKAAMO C[N@@H+](Cc1cc2ccccc2s1)Cc1ccc(OCCN2CCN(C(=O)[C@H]3CCOC(C)(C)C3)CC2)cc1 ZINC000012191591 553353613 /nfs/dbraw/zinc/35/36/13/553353613.db2.gz NETWJYZJFALTNH-SANMLTNESA-N 1 1 535.754 5.262 50 0 KKAAMO COc1cccc(NC(=O)CC[C@H]2C[N@H+](C(C)C)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000012217851 553354320 /nfs/dbraw/zinc/35/43/20/553354320.db2.gz OUIPCFGSTDHGNE-WXVAWEFUSA-N 1 1 532.651 5.354 50 0 KKAAMO C[C@H](c1cccs1)[N@@H+](C)Cc1cc(-c2ccccc2)ccc1OCC(=O)N1CCN(c2ncccn2)CC1 ZINC000012283406 553356327 /nfs/dbraw/zinc/35/63/27/553356327.db2.gz PWEBFBBPJVDRHP-HSZRJFAPSA-N 1 1 527.694 5.126 50 0 KKAAMO O=C(c1cc(-c2ccccc2Cl)nc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012497070 553381871 /nfs/dbraw/zinc/38/18/71/553381871.db2.gz XMOOCXSJMUDCFN-UHFFFAOYSA-N 1 1 518.060 7.103 50 0 KKAAMO CSCC[C@@H](NC(=O)c1ccccc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012806128 553421039 /nfs/dbraw/zinc/42/10/39/553421039.db2.gz BNRQFTXNNMMDBC-AREMUKBSSA-N 1 1 522.114 5.125 50 0 KKAAMO O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000012959616 553430549 /nfs/dbraw/zinc/43/05/49/553430549.db2.gz FROCSRNKYUDVJW-QGOAFFKASA-N 1 1 557.521 7.519 50 0 KKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccc(Br)c2)cc1 ZINC000013713034 553486060 /nfs/dbraw/zinc/48/60/60/553486060.db2.gz NTYWGERTKQAINY-DNQXCXABSA-N 1 1 505.803 6.215 50 0 KKAAMO COc1ccc([C@@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000013758022 553488574 /nfs/dbraw/zinc/48/85/74/553488574.db2.gz TWXKUKLOLJECQZ-OCBJUFRSSA-N 1 1 525.649 5.287 50 0 KKAAMO COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1C[NH+]1CCC(C)CC1 ZINC000013758022 553488575 /nfs/dbraw/zinc/48/85/75/553488575.db2.gz TWXKUKLOLJECQZ-OCBJUFRSSA-N 1 1 525.649 5.287 50 0 KKAAMO COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015945910 553544255 /nfs/dbraw/zinc/54/42/55/553544255.db2.gz ULFXFPKJEHXNGN-OALUTQOASA-N 1 1 527.731 5.839 50 0 KKAAMO COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c1 ZINC000015945910 553544257 /nfs/dbraw/zinc/54/42/57/553544257.db2.gz ULFXFPKJEHXNGN-OALUTQOASA-N 1 1 527.731 5.839 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(OC)c(Br)c2)N3)C1 ZINC000015947279 553545140 /nfs/dbraw/zinc/54/51/40/553545140.db2.gz DLXBLMWWVMDSEW-MRXNPFEDSA-N 1 1 501.244 5.089 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000015947046 553545182 /nfs/dbraw/zinc/54/51/82/553545182.db2.gz RAEGGGVRFWEYEI-HSZRJFAPSA-N 1 1 512.031 5.825 50 0 KKAAMO Cc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C(F)(F)F)c3)C[C@@H]2C)cc1 ZINC000016712769 553574954 /nfs/dbraw/zinc/57/49/54/553574954.db2.gz JDSGHSYRPULCRO-QFIPXVFZSA-N 1 1 527.594 7.130 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(c3cccc(C)c3)[C@@H](C)C2)cc1 ZINC000016712892 553575115 /nfs/dbraw/zinc/57/51/15/553575115.db2.gz VRMZKCVVLMCKKI-DEOSSOPVSA-N 1 1 503.650 6.510 50 0 KKAAMO O=c1c2c3c(sc2nc(SCc2ccccc2)n1Cc1ccccc1)C[N@H+](Cc1ccccc1)CC3 ZINC000020130107 553591367 /nfs/dbraw/zinc/59/13/67/553591367.db2.gz SYAOOTYIZVTTCP-UHFFFAOYSA-N 1 1 509.700 6.357 50 0 KKAAMO O=c1c2c3c(sc2nc(SCc2ccccc2)n1Cc1ccccc1)C[N@@H+](Cc1ccccc1)CC3 ZINC000020130107 553591369 /nfs/dbraw/zinc/59/13/69/553591369.db2.gz SYAOOTYIZVTTCP-UHFFFAOYSA-N 1 1 509.700 6.357 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000070664863 553595215 /nfs/dbraw/zinc/59/52/15/553595215.db2.gz UUURWWVPMHAACP-XZWHSSHBSA-N 1 1 622.762 7.162 50 0 biogenic,in-vitro KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(OC)c(cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000070664863 553595219 /nfs/dbraw/zinc/59/52/19/553595219.db2.gz UUURWWVPMHAACP-XZWHSSHBSA-N 1 1 622.762 7.162 50 0 biogenic,in-vitro KKAAMO Fc1ccc(SCC[NH+]2CCN([C@H]3Cc4ccc(F)cc4Sc4cc(F)c(Cl)cc43)CC2)cc1 ZINC000019370911 553614632 /nfs/dbraw/zinc/61/46/32/553614632.db2.gz OYFJDTWCXNAORK-DEOSSOPVSA-N 1 1 521.073 6.916 50 0 KKAAMO CC(C)[N@@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(-c4ccccc4)c(=O)c23)C1 ZINC000019680889 553615076 /nfs/dbraw/zinc/61/50/76/553615076.db2.gz QGACLCOZBSIGHC-UHFFFAOYSA-N 1 1 516.519 6.813 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)n(-c4ccccc4)c(=O)c23)C1 ZINC000019680889 553615080 /nfs/dbraw/zinc/61/50/80/553615080.db2.gz QGACLCOZBSIGHC-UHFFFAOYSA-N 1 1 516.519 6.813 50 0 KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070701326 553621494 /nfs/dbraw/zinc/62/14/94/553621494.db2.gz PDXNTQLYHAKTRV-JZMUPVMCSA-N 1 1 538.003 5.409 50 0 biogenic KKAAMO Cc1cc2c(c(Cl)c1)NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2cc3ccccc3o2)[C@]12C(=O)Nc1ccccc12 ZINC000070701326 553621496 /nfs/dbraw/zinc/62/14/96/553621496.db2.gz PDXNTQLYHAKTRV-JZMUPVMCSA-N 1 1 538.003 5.409 50 0 biogenic KKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@@]2=O ZINC000020242705 553627771 /nfs/dbraw/zinc/62/77/71/553627771.db2.gz GFPJRCCIANUZAV-KXQOOQHDSA-N 1 1 531.722 5.482 50 0 KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000070706939 553629354 /nfs/dbraw/zinc/62/93/54/553629354.db2.gz FKAMQLIXAPDCRK-WLGONLEPSA-N 1 1 562.851 5.117 50 0 biogenic KKAAMO O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000070706939 553629355 /nfs/dbraw/zinc/62/93/55/553629355.db2.gz FKAMQLIXAPDCRK-WLGONLEPSA-N 1 1 562.851 5.117 50 0 biogenic KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCC[N@@H+]4CCCC[C@@H]4C)cc3)C2=O)c1 ZINC000020355188 553640838 /nfs/dbraw/zinc/64/08/38/553640838.db2.gz AEWNPPTVLIFGOE-YBMXKYEKSA-N 1 1 509.650 5.566 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@@H+]4C[C@H](C)C[C@H](C)C4)cc3)C2=O)c1 ZINC000020355323 553641371 /nfs/dbraw/zinc/64/13/71/553641371.db2.gz BRSRTTCMLCASBM-CUFSWWAQSA-N 1 1 537.704 6.060 50 0 KKAAMO O=C(c1cc(-c2ccccc2)nc2ccc(Cl)cc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020530292 553669711 /nfs/dbraw/zinc/66/97/11/553669711.db2.gz BQUUXJIWGJQSLI-UHFFFAOYSA-N 1 1 518.060 7.103 50 0 KKAAMO Cc1c(OC[C@H](O)C[NH+](Cc2ccco2)C[C@@H](O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)ccc2c(-c3ccccc3)cc(=O)oc12 ZINC000079232074 553672555 /nfs/dbraw/zinc/67/25/55/553672555.db2.gz SJIBRIFFYJSNFM-ROJLCIKYSA-N 1 1 713.783 7.125 50 0 biogenic KKAAMO CCOC(=O)c1c(C[NH+]2CCCC2)n(C2CCCCC2)c2cc(Br)c3c(c21)CN(C)CO3 ZINC000085392383 553678847 /nfs/dbraw/zinc/67/88/47/553678847.db2.gz XJQSXJSYWXDHIV-UHFFFAOYSA-N 1 1 504.469 5.463 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1cc(Sc2ccccc2C(F)(F)F)nc2ccccc21 ZINC000020725014 553689876 /nfs/dbraw/zinc/68/98/76/553689876.db2.gz FPILTBPVAJCRMU-IBGZPJMESA-N 1 1 501.618 6.789 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)CN1c2ccccc2S/C(=C\c2ccc(C)cc2)C1=O)Cc1ccccc1 ZINC000020726523 553690336 /nfs/dbraw/zinc/69/03/36/553690336.db2.gz FFLUCMXSKBDKAL-SWKFRHMKSA-N 1 1 527.734 6.283 50 0 KKAAMO C[N@@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21)C1CCCCC1 ZINC000020728201 553691204 /nfs/dbraw/zinc/69/12/04/553691204.db2.gz OYJPREKRBAEMQM-BWAHOGKJSA-N 1 1 531.644 5.956 50 0 KKAAMO CCc1ccccc1NC(=S)N(CCC[N@@H+](C)C1CCCCC1)Cc1cccn1Cc1ccc(Cl)cc1 ZINC000020733228 553692980 /nfs/dbraw/zinc/69/29/80/553692980.db2.gz JSRHRSNMDIPAMY-UHFFFAOYSA-N 1 1 537.217 7.606 50 0 KKAAMO O=C(CN1c2ccccc2Sc2ncccc2C1=O)NCCC[N@@H+](CCc1ccccc1)Cc1ccco1 ZINC000020864712 553700711 /nfs/dbraw/zinc/70/07/11/553700711.db2.gz ZQMYXERZGSSVKT-UHFFFAOYSA-N 1 1 526.662 5.037 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3cccc(C)c3)CC2)cc1 ZINC000021796543 553717075 /nfs/dbraw/zinc/71/70/75/553717075.db2.gz WIIFAHYCMSRQQX-UHFFFAOYSA-N 1 1 503.606 5.367 50 0 KKAAMO Cc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccccc3C)CC2)cc1 ZINC000021796653 553717403 /nfs/dbraw/zinc/71/74/03/553717403.db2.gz GAORTPVWRJQRPH-UHFFFAOYSA-N 1 1 517.633 5.432 50 0 KKAAMO Cc1ccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C)c3)CC2)cc1 ZINC000021796746 553717482 /nfs/dbraw/zinc/71/74/82/553717482.db2.gz RERYCEWQNFBJHX-UHFFFAOYSA-N 1 1 517.633 5.432 50 0 KKAAMO COc1ccc(C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H](O)c2ccc(OCc3ccccc3)c(NC=O)c2)cc1 ZINC000021992257 553722701 /nfs/dbraw/zinc/72/27/01/553722701.db2.gz RVGUTXYKHMDBPX-NLGDKJDOSA-N 1 1 524.661 6.009 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(C(F)(F)F)cc2)CC1 ZINC000096276334 553732990 /nfs/dbraw/zinc/73/29/90/553732990.db2.gz AEDLRXQKAOVQQE-HHHXNRCGSA-N 1 1 519.611 6.395 50 0 KKAAMO CO[C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5cc(C)ccc5C)cn43)CC2)C1 ZINC000096287425 553738362 /nfs/dbraw/zinc/73/83/62/553738362.db2.gz QWZYENBVNOTNSG-LMSSTIIKSA-N 1 1 536.720 6.135 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2cc(C)ccc2F)CC1 ZINC000096289214 553741198 /nfs/dbraw/zinc/74/11/98/553741198.db2.gz XOEZPRCFCQLPGD-MHZLTWQESA-N 1 1 513.657 5.832 50 0 KKAAMO COc1ccc(NC(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5cccc(C)c5)cn43)CC2)cc1 ZINC000096289671 553741710 /nfs/dbraw/zinc/74/17/10/553741710.db2.gz WMRHNAXEBLBVOE-UHFFFAOYSA-N 1 1 531.660 6.335 50 0 KKAAMO CC(C)C(=O)N1CC[NH+](Cc2c(-c3ccccc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000096289536 553741772 /nfs/dbraw/zinc/74/17/72/553741772.db2.gz YIQGGYDJOABXNN-UHFFFAOYSA-N 1 1 506.572 5.987 50 0 KKAAMO COc1cc(/C=C/CCCN2CCC[N@@H+](CCC/C=C/c3cc(OC)c(OC)c(OC)c3)CC2)cc(OC)c1OC ZINC000022450990 553742376 /nfs/dbraw/zinc/74/23/76/553742376.db2.gz JXXCDAKRSXICGM-AOEKMSOUSA-N 1 1 568.755 6.033 50 0 in-vitro KKAAMO CC(C)c1nnc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1-c1cccc(C(F)(F)F)c1 ZINC000096290761 553743791 /nfs/dbraw/zinc/74/37/91/553743791.db2.gz AYRDMFPPZKROTH-UHFFFAOYSA-N 1 1 503.594 5.089 50 0 KKAAMO CO[C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3c(-c4ccc(C)cc4)nc4ccc(-c5cccc(C)c5)cn43)CC2)C1 ZINC000096293678 553747063 /nfs/dbraw/zinc/74/70/63/553747063.db2.gz WCTUIDQDTYCUFZ-MFMCTBQISA-N 1 1 536.720 6.135 50 0 KKAAMO C[C@@H](CC(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1)CC(C)(C)C ZINC000022663753 553749229 /nfs/dbraw/zinc/74/92/29/553749229.db2.gz ZRGKHAXQDLBFPY-QFIPXVFZSA-N 1 1 519.557 7.096 50 0 KKAAMO Clc1ccc2c(c1)C[C@@H](N1CC[NH+]([C@@H]3Cc4cc(Cl)ccc4Sc4ccccc43)CC1)c1ccccc1S2 ZINC000022789191 553750258 /nfs/dbraw/zinc/75/02/58/553750258.db2.gz YKKUMIYOPLAFOV-VSGBNLITSA-N 1 1 575.630 8.808 50 0 KKAAMO CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000023153849 553770981 /nfs/dbraw/zinc/77/09/81/553770981.db2.gz KXLLJRFMSATBKZ-UHFFFAOYSA-N 1 1 523.683 7.038 50 0 KKAAMO CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000023153849 553770983 /nfs/dbraw/zinc/77/09/83/553770983.db2.gz KXLLJRFMSATBKZ-UHFFFAOYSA-N 1 1 523.683 7.038 50 0 KKAAMO Cc1ccc(C(=O)N2CCN(CCOc3ccc(C[N@@H+](C)Cc4cc5ccccc5s4)cc3)CC2)s1 ZINC000023310756 553772515 /nfs/dbraw/zinc/77/25/15/553772515.db2.gz HBHYSMMTNGDPDE-UHFFFAOYSA-N 1 1 519.736 5.740 50 0 KKAAMO Cc1cccc(NC(=O)N2CC[NH+](CCCOC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c1 ZINC000023336188 553774081 /nfs/dbraw/zinc/77/40/81/553774081.db2.gz WRLHFALWODMUCD-UHFFFAOYSA-N 1 1 512.481 6.648 50 0 KKAAMO O=C([C@@H](O)c1ccccc1)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000023336723 553774393 /nfs/dbraw/zinc/77/43/93/553774393.db2.gz LEOWQCBPYCXGQA-SANMLTNESA-N 1 1 513.465 5.367 50 0 KKAAMO O=C(c1cc2nc(-c3ccc(Cl)s3)cc(C(F)(F)F)n2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097948578 553794965 /nfs/dbraw/zinc/79/49/65/553794965.db2.gz QXAMNWPMULIAJS-UHFFFAOYSA-N 1 1 582.051 6.677 50 0 KKAAMO COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c(Cl)c3N2)cc1OC ZINC000097949075 553798975 /nfs/dbraw/zinc/79/89/75/553798975.db2.gz OXCBLIRISASFDZ-IGKIAQTJSA-N 1 1 640.106 6.761 50 0 KKAAMO Cc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CC[N@@H+](Cc2ccccc2)C4)c(C)c1 ZINC000097949635 553802590 /nfs/dbraw/zinc/80/25/90/553802590.db2.gz NVOAVTIBOXUYTB-UHFFFAOYSA-N 1 1 537.754 6.974 50 0 KKAAMO Cc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CC[N@H+](Cc2ccccc2)C4)c(C)c1 ZINC000097949635 553802593 /nfs/dbraw/zinc/80/25/93/553802593.db2.gz NVOAVTIBOXUYTB-UHFFFAOYSA-N 1 1 537.754 6.974 50 0 KKAAMO O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@@H+](CCc1ccccc1)C3)c1ccccc1 ZINC000097949627 553802644 /nfs/dbraw/zinc/80/26/44/553802644.db2.gz FGUMLHXEDTXOSV-UHFFFAOYSA-N 1 1 537.710 6.023 50 0 KKAAMO O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[N@H+](CCc1ccccc1)C3)c1ccccc1 ZINC000097949627 553802646 /nfs/dbraw/zinc/80/26/46/553802646.db2.gz FGUMLHXEDTXOSV-UHFFFAOYSA-N 1 1 537.710 6.023 50 0 KKAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2cccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)c2)CC1 ZINC000097956360 553838025 /nfs/dbraw/zinc/83/80/25/553838025.db2.gz YLKRMUZMUJUSKL-OSWZSTQVSA-N 1 1 546.092 6.096 50 0 KKAAMO C[N@H+]1CCc2cccc3c2[C@@H]1Cc1ccc(OC(=O)c2ccc(F)cc2)c(OC(=O)c2ccc(F)cc2)c1-3 ZINC000031283287 553861249 /nfs/dbraw/zinc/86/12/49/553861249.db2.gz DOABYPDJDXYVHO-VWLOTQADSA-N 1 1 511.524 6.155 50 0 KKAAMO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](C)C4)cc2)C[C@H](C)O1 ZINC000097963389 553889374 /nfs/dbraw/zinc/88/93/74/553889374.db2.gz RCMMOAPBPSYXIP-ROUUACIJSA-N 1 1 582.773 5.063 50 0 KKAAMO C[C@H]1CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](C)C4)cc2)C[C@H](C)O1 ZINC000097963389 553889375 /nfs/dbraw/zinc/88/93/75/553889375.db2.gz RCMMOAPBPSYXIP-ROUUACIJSA-N 1 1 582.773 5.063 50 0 KKAAMO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](CC)C3)cc1 ZINC000097963404 553889602 /nfs/dbraw/zinc/88/96/02/553889602.db2.gz BQHHKCLXPYGPGT-UHFFFAOYSA-N 1 1 582.817 6.466 50 0 KKAAMO CCCCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](CC)C3)cc1 ZINC000097963404 553889606 /nfs/dbraw/zinc/88/96/06/553889606.db2.gz BQHHKCLXPYGPGT-UHFFFAOYSA-N 1 1 582.817 6.466 50 0 KKAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](CC)C3)cc1 ZINC000097963400 553889615 /nfs/dbraw/zinc/88/96/15/553889615.db2.gz GQIDNMVCAHJPCE-UHFFFAOYSA-N 1 1 554.763 5.686 50 0 KKAAMO CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](CC)C3)cc1 ZINC000097963400 553889618 /nfs/dbraw/zinc/88/96/18/553889618.db2.gz GQIDNMVCAHJPCE-UHFFFAOYSA-N 1 1 554.763 5.686 50 0 KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](CC)C3)cc1 ZINC000097963402 553889791 /nfs/dbraw/zinc/88/97/91/553889791.db2.gz NKSRDQWNRULTTB-UHFFFAOYSA-N 1 1 610.871 7.246 50 0 KKAAMO CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](CC)C3)cc1 ZINC000097963402 553889794 /nfs/dbraw/zinc/88/97/94/553889794.db2.gz NKSRDQWNRULTTB-UHFFFAOYSA-N 1 1 610.871 7.246 50 0 KKAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C(C)C)C3)cc1 ZINC000097963427 553890163 /nfs/dbraw/zinc/89/01/63/553890163.db2.gz UKQJHXMMXBTSDX-UHFFFAOYSA-N 1 1 582.817 6.464 50 0 KKAAMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963492 553890999 /nfs/dbraw/zinc/89/09/99/553890999.db2.gz LWKNNTYVYWHZKU-PSWAGMNNSA-N 1 1 656.899 7.502 50 0 KKAAMO C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](Cc3ccccc3)C4)cc2)C1 ZINC000097963492 553891004 /nfs/dbraw/zinc/89/10/04/553891004.db2.gz LWKNNTYVYWHZKU-PSWAGMNNSA-N 1 1 656.899 7.502 50 0 KKAAMO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097963491 553891033 /nfs/dbraw/zinc/89/10/33/553891033.db2.gz UWBCYNIMPQVWOB-QHCPKHFHSA-N 1 1 642.872 7.399 50 0 KKAAMO C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097963491 553891036 /nfs/dbraw/zinc/89/10/36/553891036.db2.gz UWBCYNIMPQVWOB-QHCPKHFHSA-N 1 1 642.872 7.399 50 0 KKAAMO O=C(c1cc2nc3c(c(C(F)(F)F)n2n1)CCc1ccccc1-3)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033358359 553954810 /nfs/dbraw/zinc/95/48/10/553954810.db2.gz HFVDYHIGCUWGJZ-UHFFFAOYSA-N 1 1 567.615 6.061 50 0 KKAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000033429004 553959697 /nfs/dbraw/zinc/95/96/97/553959697.db2.gz DCDZBOZBYSWDEO-PXJZQJOASA-N 1 1 518.583 5.670 50 0 KKAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667483 553982088 /nfs/dbraw/zinc/98/20/88/553982088.db2.gz FAHMJBYDRACATA-UGDMGKLASA-N 1 1 512.600 6.196 50 0 KKAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667483 553982085 /nfs/dbraw/zinc/98/20/85/553982085.db2.gz FAHMJBYDRACATA-UGDMGKLASA-N 1 1 512.600 6.196 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1cccc(F)c1 ZINC000034671767 553982519 /nfs/dbraw/zinc/98/25/19/553982519.db2.gz OMRZNGCHKCPVCX-SAIUNTKASA-N 1 1 522.664 6.756 50 0 KKAAMO CC[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671730 553982571 /nfs/dbraw/zinc/98/25/71/553982571.db2.gz NRPXGIXNMOUMOX-AJQTZOPKSA-N 1 1 505.662 6.012 50 0 KKAAMO CC[C@@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1cccc(C)c1)CC2)C(=O)NCc1ccccn1 ZINC000034671725 553982665 /nfs/dbraw/zinc/98/26/65/553982665.db2.gz NRPXGIXNMOUMOX-ZWXJPIIXSA-N 1 1 505.662 6.012 50 0 KKAAMO CC(C)c1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)co3)CC2)cc1 ZINC000034678015 553983922 /nfs/dbraw/zinc/98/39/22/553983922.db2.gz BIKRZSYUPUFGAV-UHFFFAOYSA-N 1 1 500.565 5.065 50 0 KKAAMO COc1cccc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC ZINC000034683654 553985869 /nfs/dbraw/zinc/98/58/69/553985869.db2.gz VXHOZTKDJZFPNX-UHFFFAOYSA-N 1 1 501.048 5.217 50 0 KKAAMO O=C(NCc1ccncc1)c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@H+](Cc2ccccc2)CC3)o1 ZINC000034685555 553986988 /nfs/dbraw/zinc/98/69/88/553986988.db2.gz GMHHKUHCWCWXRL-XIFFEERXSA-N 1 1 529.640 6.331 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698815 553991578 /nfs/dbraw/zinc/99/15/78/553991578.db2.gz VZINKNLPTWCSJS-VIZCGCQYSA-N 1 1 519.104 7.478 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698847 553991628 /nfs/dbraw/zinc/99/16/28/553991628.db2.gz OQDQWEHJGKJEQU-IRPSRAIASA-N 1 1 520.639 7.103 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698814 553991696 /nfs/dbraw/zinc/99/16/96/553991696.db2.gz VZINKNLPTWCSJS-PDDLMNHVSA-N 1 1 519.104 7.478 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698882 553991840 /nfs/dbraw/zinc/99/18/40/553991840.db2.gz PBHKFLMPTSNKMG-POURPWNDSA-N 1 1 534.666 7.705 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000034699143 553992411 /nfs/dbraw/zinc/99/24/11/553992411.db2.gz RDXPOVJIZRZKQZ-LSYYVWMOSA-N 1 1 512.591 6.919 50 0 KKAAMO COc1ccc([C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@@H]2CN(Cc2ccc(F)cc2)C(C)=O)cc1 ZINC000034699339 553992424 /nfs/dbraw/zinc/99/24/24/553992424.db2.gz NNXCOQQFPCDIQP-UFHPHHKVSA-N 1 1 514.563 6.117 50 0 KKAAMO Cc1cc([C@H]2C[C@@H](C(=O)N3CCN(Cc4ccccc4)CC3)C[N@@H+](Cc3ccc(F)cc3)C2)ccc1F ZINC000034716783 553995772 /nfs/dbraw/zinc/99/57/72/553995772.db2.gz QOWNPVISDLPHGN-WUFINQPMSA-N 1 1 503.637 5.223 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787917 554005238 /nfs/dbraw/zinc/00/52/38/554005238.db2.gz KNPLVGUFWOJHEC-MHZLTWQESA-N 1 1 508.087 5.032 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787917 554005234 /nfs/dbraw/zinc/00/52/34/554005234.db2.gz KNPLVGUFWOJHEC-MHZLTWQESA-N 1 1 508.087 5.032 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787912 554005381 /nfs/dbraw/zinc/00/53/81/554005381.db2.gz KNPLVGUFWOJHEC-HHHXNRCGSA-N 1 1 508.087 5.032 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccccc2Cl)CC1 ZINC000034787912 554005384 /nfs/dbraw/zinc/00/53/84/554005384.db2.gz KNPLVGUFWOJHEC-HHHXNRCGSA-N 1 1 508.087 5.032 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000034829834 554013036 /nfs/dbraw/zinc/01/30/36/554013036.db2.gz OESAUUDLLVJPKU-WVXBCFDCSA-N 1 1 529.750 5.675 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000034829798 554013072 /nfs/dbraw/zinc/01/30/72/554013072.db2.gz XMMDSCAWMHZESU-NFQMXDRXSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H](C)C1 ZINC000034829834 554013040 /nfs/dbraw/zinc/01/30/40/554013040.db2.gz OESAUUDLLVJPKU-WVXBCFDCSA-N 1 1 529.750 5.675 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000034829798 554013067 /nfs/dbraw/zinc/01/30/67/554013067.db2.gz XMMDSCAWMHZESU-NFQMXDRXSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(C(=O)CCC3CCCC3)[C@H](C)C2)cc1 ZINC000034830156 554014928 /nfs/dbraw/zinc/01/49/28/554014928.db2.gz CTPFBMUCGTVGCK-WVXBCFDCSA-N 1 1 507.744 5.424 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830587 554016616 /nfs/dbraw/zinc/01/66/16/554016616.db2.gz QFHVEBHURJSVJE-PIKZIKFNSA-N 1 1 520.674 5.298 50 0 KKAAMO CCc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000034830594 554016646 /nfs/dbraw/zinc/01/66/46/554016646.db2.gz DCQJUZJAQYDLIF-LGGPFLRQSA-N 1 1 534.701 5.552 50 0 KKAAMO O=C(N/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1 ZINC000097984666 554017927 /nfs/dbraw/zinc/01/79/27/554017927.db2.gz NKQCFWGUBRCUMF-PNFNHJRFSA-N 1 1 644.779 6.639 50 0 KKAAMO CCCc1nn(-c2cccc(Cl)c2)c(N2CCN(C)CC2)c1C[N@@H+](Cc1sccc1C)C(C)C ZINC000034837038 554020383 /nfs/dbraw/zinc/02/03/83/554020383.db2.gz MTMPWWRKGLUPGM-UHFFFAOYSA-N 1 1 500.156 6.011 50 0 KKAAMO CCCCCCC(=O)Nc1ccc(N2CC[NH+](CC)CC2)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000034919641 554030664 /nfs/dbraw/zinc/03/06/64/554030664.db2.gz PXLKBQOCEKHUOW-AREMUKBSSA-N 1 1 526.747 5.093 50 0 KKAAMO COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@@H](C)C3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000035144381 554035533 /nfs/dbraw/zinc/03/55/33/554035533.db2.gz ULFXFPKJEHXNGN-RTBURBONSA-N 1 1 527.731 5.839 50 0 KKAAMO COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000035144381 554035529 /nfs/dbraw/zinc/03/55/29/554035529.db2.gz ULFXFPKJEHXNGN-RTBURBONSA-N 1 1 527.731 5.839 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@@H]3C)sc3c2CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000035415647 554049611 /nfs/dbraw/zinc/04/96/11/554049611.db2.gz MSOJOUOOUUYXGI-RBUKOAKNSA-N 1 1 527.731 5.982 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCCC[C@@H]3C)sc3c2CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000035415647 554049613 /nfs/dbraw/zinc/04/96/13/554049613.db2.gz MSOJOUOOUUYXGI-RBUKOAKNSA-N 1 1 527.731 5.982 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NCCc2ccccc2)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427274 554051391 /nfs/dbraw/zinc/05/13/91/554051391.db2.gz SUEBUGYHNTZAJC-MHZLTWQESA-N 1 1 500.643 5.523 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NCCc2ccccc2)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427274 554051392 /nfs/dbraw/zinc/05/13/92/554051392.db2.gz SUEBUGYHNTZAJC-MHZLTWQESA-N 1 1 500.643 5.523 50 0 KKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@H+](C)CC4)c1 ZINC000035427242 554051399 /nfs/dbraw/zinc/05/13/99/554051399.db2.gz VPOZESGITQLCHC-MHZLTWQESA-N 1 1 500.643 6.420 50 0 KKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)c1 ZINC000035427242 554051402 /nfs/dbraw/zinc/05/14/02/554051402.db2.gz VPOZESGITQLCHC-MHZLTWQESA-N 1 1 500.643 6.420 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(F)ccc2F)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427264 554051542 /nfs/dbraw/zinc/05/15/42/554051542.db2.gz MAPMXPXSBGKCMR-RUZDIDTESA-N 1 1 508.569 6.081 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2cc(F)ccc2F)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427264 554051545 /nfs/dbraw/zinc/05/15/45/554051545.db2.gz MAPMXPXSBGKCMR-RUZDIDTESA-N 1 1 508.569 6.081 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c1C ZINC000035427350 554051866 /nfs/dbraw/zinc/05/18/66/554051866.db2.gz MYDXDHYHWTYXHJ-HHHXNRCGSA-N 1 1 517.098 6.934 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c1C ZINC000035427350 554051862 /nfs/dbraw/zinc/05/18/62/554051862.db2.gz MYDXDHYHWTYXHJ-HHHXNRCGSA-N 1 1 517.098 6.934 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(F)ccc2F)CC[N@@H+](C)C4)c1 ZINC000035427330 554051974 /nfs/dbraw/zinc/05/19/74/554051974.db2.gz KSLXMIUQXOHQAU-AREMUKBSSA-N 1 1 520.605 5.951 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(F)ccc2F)CC[N@H+](C)C4)c1 ZINC000035427330 554051970 /nfs/dbraw/zinc/05/19/70/554051970.db2.gz KSLXMIUQXOHQAU-AREMUKBSSA-N 1 1 520.605 5.951 50 0 KKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(Cl)c1)C[N@H+](C)CC3 ZINC000035427358 554052241 /nfs/dbraw/zinc/05/22/41/554052241.db2.gz IDIIBYJCFHKHOK-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccccc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@H]1c1cccc(Cl)c1)C[N@@H+](C)CC3 ZINC000035427358 554052244 /nfs/dbraw/zinc/05/22/44/554052244.db2.gz IDIIBYJCFHKHOK-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c(C)c1 ZINC000035427368 554052302 /nfs/dbraw/zinc/05/23/02/554052302.db2.gz LMUGDIJYLVRJNK-MHZLTWQESA-N 1 1 517.098 6.934 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c(C)c1 ZINC000035427368 554052307 /nfs/dbraw/zinc/05/23/07/554052307.db2.gz LMUGDIJYLVRJNK-MHZLTWQESA-N 1 1 517.098 6.934 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)c1 ZINC000035427362 554052390 /nfs/dbraw/zinc/05/23/90/554052390.db2.gz BKFIGBPCKZULLR-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1cccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)c1 ZINC000035427362 554052392 /nfs/dbraw/zinc/05/23/92/554052392.db2.gz BKFIGBPCKZULLR-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@H](C)C(=O)NCC[N@H+]5CCCC[C@@H]5C)CC4)ccc3o2)cc1 ZINC000035454650 554055727 /nfs/dbraw/zinc/05/57/27/554055727.db2.gz MHDRXGOVDKXBQJ-GOTSBHOMSA-N 1 1 516.686 5.282 50 0 KKAAMO COCc1c(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cnc2c(-c3ccccc3)c(C)nn21 ZINC000035725591 554068614 /nfs/dbraw/zinc/06/86/14/554068614.db2.gz FMTNWFAAKSCOKV-UHFFFAOYSA-N 1 1 531.660 5.399 50 0 KKAAMO Cc1cc2c(cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n2Cc2ccccc2F)o1 ZINC000035836519 554080064 /nfs/dbraw/zinc/08/00/64/554080064.db2.gz BVCIODLFMBROOK-UHFFFAOYSA-N 1 1 507.609 6.278 50 0 KKAAMO O=C(NCc1cccc(F)c1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@H]12 ZINC000035871971 554086582 /nfs/dbraw/zinc/08/65/82/554086582.db2.gz PCRSEICAIJDUFM-AZGAKELHSA-N 1 1 515.526 5.163 50 0 KKAAMO CCc1cccc2c([C@H](CC(=O)N3CC[NH+](Cc4ccccc4)CC3)c3cccc(OC)c3OC)c[nH]c21 ZINC000035910632 554094556 /nfs/dbraw/zinc/09/45/56/554094556.db2.gz LMWZPDYHGRKNDS-HHHXNRCGSA-N 1 1 511.666 5.614 50 0 KKAAMO COc1cccc(C[N@H+]2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)c1 ZINC000035925677 554097930 /nfs/dbraw/zinc/09/79/30/554097930.db2.gz WYSLFWPXVFIDPU-UHFFFAOYSA-N 1 1 504.638 5.127 50 0 KKAAMO C[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4ccc5c(c4)CCC5)cnn(-c4cccc(Cl)c4)c3=O)c2)CC1 ZINC000098015509 554100221 /nfs/dbraw/zinc/10/02/21/554100221.db2.gz RUVOYDUDGICEFS-UHFFFAOYSA-N 1 1 556.066 5.298 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COC(C)C ZINC000098020114 554116781 /nfs/dbraw/zinc/11/67/81/554116781.db2.gz GMJJTOPHYFQMKU-LJAQVGFWSA-N 1 1 551.772 5.161 50 0 KKAAMO CCCCc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(CC)cc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000098042726 554121798 /nfs/dbraw/zinc/12/17/98/554121798.db2.gz HOKWOFZMUPEIJX-UHFFFAOYSA-N 1 1 570.575 7.527 50 0 KKAAMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(N(C(=O)C2(C(N)=O)CC2)c2ccc(F)cc2)cc1F ZINC000098043797 554128745 /nfs/dbraw/zinc/12/87/45/554128745.db2.gz FCGJXAOTZFGHNQ-UHFFFAOYSA-N 1 1 632.664 5.345 50 0 KKAAMO CC[NH+]1CCN(C(=O)CCN(CCc2ccccc2)c2nc(-c3ccccc3Cl)nc3ccccc32)CC1 ZINC000036008185 554131940 /nfs/dbraw/zinc/13/19/40/554131940.db2.gz RRSRHOFWGXMTBZ-UHFFFAOYSA-N 1 1 528.100 5.554 50 0 KKAAMO CC[C@H](NC(=O)c1cccc(OC)c1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@H+]1Cc1ccc(OC)cc1 ZINC000036048295 554154087 /nfs/dbraw/zinc/15/40/87/554154087.db2.gz HRLHKXRLRFQQLU-WNJJXGMVSA-N 1 1 504.627 5.029 50 0 KKAAMO CC[C@H](NC(=O)c1cccc(OC)c1)[C@@H]1c2cc(OC)c(OC)cc2CC[N@@H+]1Cc1ccc(OC)cc1 ZINC000036048295 554154091 /nfs/dbraw/zinc/15/40/91/554154091.db2.gz HRLHKXRLRFQQLU-WNJJXGMVSA-N 1 1 504.627 5.029 50 0 KKAAMO O[C@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](CCc2ccccc2)CC1 ZINC000098048135 554159943 /nfs/dbraw/zinc/15/99/43/554159943.db2.gz ZSUJSMCCRSKRMU-QHCPKHFHSA-N 1 1 571.357 5.541 50 0 KKAAMO Cc1nc(SCc2ccc(C(=O)NCC3CC3)cc2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000036064188 554163180 /nfs/dbraw/zinc/16/31/80/554163180.db2.gz KZHGMEHVFVSAKF-RMKNXTFCSA-N 1 1 527.738 5.361 50 0 KKAAMO Cc1nc(SCc2ccc(C(=O)N3CCCC3)cc2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000036064189 554163239 /nfs/dbraw/zinc/16/32/39/554163239.db2.gz XDNPKVJOTOFAKE-DHZHZOJOSA-N 1 1 527.738 5.457 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3ccccc3)C[C@@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036145507 554197677 /nfs/dbraw/zinc/19/76/77/554197677.db2.gz DESVDVNSWJLYTO-LJAQVGFWSA-N 1 1 513.634 5.762 50 0 KKAAMO O[C@H](COCc1ccccc1)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146134 554198121 /nfs/dbraw/zinc/19/81/21/554198121.db2.gz LVSXRMMZNVYCJR-UIOOFZCWSA-N 1 1 516.535 5.417 50 0 KKAAMO O[C@H](COCc1ccco1)C[N@H+](Cc1cccc(Cl)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146782 554198259 /nfs/dbraw/zinc/19/82/59/554198259.db2.gz UNHRXELDSPPWLW-UNMCSNQZSA-N 1 1 523.844 5.813 50 0 KKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000036156209 554198798 /nfs/dbraw/zinc/19/87/98/554198798.db2.gz ILWZRCBFXAAYKL-UHFFFAOYSA-N 1 1 531.649 6.010 50 0 KKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2ccccc2)c2ccccc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000036167761 554200105 /nfs/dbraw/zinc/20/01/05/554200105.db2.gz CNTLUIWKTYDEDU-UHFFFAOYSA-N 1 1 501.623 5.620 50 0 KKAAMO COc1cccc(C[N@H+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)CC(C)C)c1OC ZINC000036202342 554200739 /nfs/dbraw/zinc/20/07/39/554200739.db2.gz CUOPQLIHKIACLA-UHFFFAOYSA-N 1 1 521.604 6.517 50 0 KKAAMO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@@]12c1ccccc1N(Cc1cccc(Cl)c1)C2=O ZINC000036201491 554200759 /nfs/dbraw/zinc/20/07/59/554200759.db2.gz IFUCFNDIDHCYIO-VVLOPTJBSA-N 1 1 525.023 6.450 50 0 KKAAMO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@@]12c1ccccc1N(Cc1cccc(Cl)c1)C2=O ZINC000036201491 554200763 /nfs/dbraw/zinc/20/07/63/554200763.db2.gz IFUCFNDIDHCYIO-VVLOPTJBSA-N 1 1 525.023 6.450 50 0 KKAAMO CCOC(=O)c1c2cc(OC)c(Br)cc2n(-c2ccccc2)c1C[NH+]1CCC(C(=O)OCC)(c2ccccc2)CC1 ZINC000100074804 554203816 /nfs/dbraw/zinc/20/38/16/554203816.db2.gz ILQTXCFJXBKHTD-UHFFFAOYSA-N 1 1 619.556 6.675 50 0 biogenic KKAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](O)COCc2ccccc2)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302104 554212034 /nfs/dbraw/zinc/21/20/34/554212034.db2.gz BXDBNGDMQPSRHP-HHHXNRCGSA-N 1 1 513.638 5.524 50 0 KKAAMO COc1ccccc1Oc1c(C[N@H+](C[C@@H](O)COCc2ccccc2)C2CC2)c(C)nn1-c1ccccc1 ZINC000036302104 554212031 /nfs/dbraw/zinc/21/20/31/554212031.db2.gz BXDBNGDMQPSRHP-HHHXNRCGSA-N 1 1 513.638 5.524 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](O)COCC(C)C ZINC000036303490 554213229 /nfs/dbraw/zinc/21/32/29/554213229.db2.gz ZVOJUANSTUGPLQ-QHCPKHFHSA-N 1 1 502.055 5.108 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](O)COCC(C)C ZINC000036303490 554213230 /nfs/dbraw/zinc/21/32/30/554213230.db2.gz ZVOJUANSTUGPLQ-QHCPKHFHSA-N 1 1 502.055 5.108 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036303226 554213456 /nfs/dbraw/zinc/21/34/56/554213456.db2.gz OAYQVLHNBZFJSW-RUZDIDTESA-N 1 1 501.602 5.770 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@@H](O)COc1ccccc1)C1CC1 ZINC000036303226 554213460 /nfs/dbraw/zinc/21/34/60/554213460.db2.gz OAYQVLHNBZFJSW-RUZDIDTESA-N 1 1 501.602 5.770 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036303976 554213701 /nfs/dbraw/zinc/21/37/01/554213701.db2.gz QIYCJSKFJZHTPJ-XMMPIXPASA-N 1 1 501.618 5.743 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000036303556 554213734 /nfs/dbraw/zinc/21/37/34/554213734.db2.gz JHNPRHJCWGRMJY-BJKOFHAPSA-N 1 1 528.093 5.783 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000036303556 554213737 /nfs/dbraw/zinc/21/37/37/554213737.db2.gz JHNPRHJCWGRMJY-BJKOFHAPSA-N 1 1 528.093 5.783 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CC(C)C)C[C@H](O)COC(C)(C)C ZINC000036303979 554213831 /nfs/dbraw/zinc/21/38/31/554213831.db2.gz UMDSXBYOFNWKPS-QHCPKHFHSA-N 1 1 501.618 5.885 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000036304089 554214033 /nfs/dbraw/zinc/21/40/33/554214033.db2.gz LERDNWHFGZNKJF-DEOSSOPVSA-N 1 1 507.581 5.902 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@H](O)COCc1ccco1)CC1CC1 ZINC000036304891 554214853 /nfs/dbraw/zinc/21/48/53/554214853.db2.gz LDZPBEAGDKAIHN-SANMLTNESA-N 1 1 501.627 5.664 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H](O)Cc1ccccc1 ZINC000036304957 554214908 /nfs/dbraw/zinc/21/49/08/554214908.db2.gz AAYOBHHMPARSLG-DEOSSOPVSA-N 1 1 506.046 5.585 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2cccc(C)c2)c1C[N@@H+](C[C@@H](O)COCc1ccco1)CC1CC1 ZINC000036304894 554214964 /nfs/dbraw/zinc/21/49/64/554214964.db2.gz LDZPBEAGDKAIHN-AREMUKBSSA-N 1 1 501.627 5.664 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@H](O)Cc2ccccc2)c1Oc1cccc(F)c1 ZINC000036306994 554215845 /nfs/dbraw/zinc/21/58/45/554215845.db2.gz WMHKLIUWRXNTIR-AREMUKBSSA-N 1 1 511.597 6.217 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@H](O)Cc2ccccc2)c1Oc1cccc(F)c1 ZINC000036306994 554215848 /nfs/dbraw/zinc/21/58/48/554215848.db2.gz WMHKLIUWRXNTIR-AREMUKBSSA-N 1 1 511.597 6.217 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000036307246 554215925 /nfs/dbraw/zinc/21/59/25/554215925.db2.gz FJVGAVQSDAUGSC-NOZRDPDXSA-N 1 1 511.638 5.176 50 0 KKAAMO CCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1)C[C@H](O)COc1ccccc1C ZINC000036307687 554216363 /nfs/dbraw/zinc/21/63/63/554216363.db2.gz UPEMYMRXWHVOQX-VWLOTQADSA-N 1 1 503.618 5.979 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036307972 554216413 /nfs/dbraw/zinc/21/64/13/554216413.db2.gz HEYZAHYUUSRUJC-SANMLTNESA-N 1 1 515.629 6.331 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1C[N@H+](C[C@H](O)COc1ccccc1)C1CC1 ZINC000036307972 554216410 /nfs/dbraw/zinc/21/64/10/554216410.db2.gz HEYZAHYUUSRUJC-SANMLTNESA-N 1 1 515.629 6.331 50 0 KKAAMO COc1ccc([C@H]2CC(c3ccccc3F)=NN2C(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c(OC)c1 ZINC000036343202 554221670 /nfs/dbraw/zinc/22/16/70/554221670.db2.gz FLASHJQZPFRYHX-GDLZYMKVSA-N 1 1 515.629 5.475 50 0 KKAAMO CCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1F)C[C@H](O)COCc1ccccc1 ZINC000036346049 554223615 /nfs/dbraw/zinc/22/36/15/554223615.db2.gz JTKQUIWZTZXMBU-SANMLTNESA-N 1 1 503.618 5.902 50 0 KKAAMO O=C(COc1ccccc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000036628467 554229285 /nfs/dbraw/zinc/22/92/85/554229285.db2.gz GTRCQVFSDOUJNB-UHFFFAOYSA-N 1 1 524.024 5.469 50 0 KKAAMO Cc1cccc(-n2c(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)nnc2-c2ccccc2Cl)c1 ZINC000037398882 554241070 /nfs/dbraw/zinc/24/10/70/554241070.db2.gz LUNHAQUBKURQSR-UHFFFAOYSA-N 1 1 518.086 5.576 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@@](C)(C(=O)NC1CCCCCC1)N(CCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C3=O ZINC000037407968 554242671 /nfs/dbraw/zinc/24/26/71/554242671.db2.gz FRSNJQLLJBIKCD-LWPQGVMLSA-N 1 1 522.734 5.071 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)cc1 ZINC000037524150 554250253 /nfs/dbraw/zinc/25/02/53/554250253.db2.gz WMWYVHAYEHDZTQ-WNJJXGMVSA-N 1 1 526.618 7.167 50 0 KKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000037524384 554250328 /nfs/dbraw/zinc/25/03/28/554250328.db2.gz JOXAZIBYPQVCCB-SHQCIBLASA-N 1 1 510.600 6.127 50 0 KKAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)CSc1nnc2c3ccccc3n(CCc3ccccc3)c2n1 ZINC000100225798 554253308 /nfs/dbraw/zinc/25/33/08/554253308.db2.gz OUDOPQGDHPZRET-NAKRPHOHSA-N 1 1 548.716 5.457 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)Cc1ccccc1 ZINC000038146795 554269874 /nfs/dbraw/zinc/26/98/74/554269874.db2.gz RWWNTUBZTUXPCM-UHFFFAOYSA-N 1 1 537.509 5.983 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(O)c(OC)cc3c1[C@@H](C2)N(C)CC3 ZINC000040163549 554282749 /nfs/dbraw/zinc/28/27/49/554282749.db2.gz IIQSJHUEZBTSAT-URLMMPGGSA-N 1 1 608.735 6.859 50 0 biogenic,in-vitro KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)c(OC)c3c1[C@@H](C2)N(C)CC3 ZINC000040163547 554282769 /nfs/dbraw/zinc/28/27/69/554282769.db2.gz FUZMQNZACIFDBL-LOYHVIPDSA-N 1 1 652.788 7.171 50 0 biogenic,in-vitro KKAAMO O=C(OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1)c1cccs1 ZINC000040546112 554287501 /nfs/dbraw/zinc/28/75/01/554287501.db2.gz VQMKJGXFKOLRKS-UHFFFAOYSA-N 1 1 514.116 5.869 50 0 KKAAMO C[C@H](c1ccccc1)[NH+]([C@H](C)c1ccccc1)P1Oc2cccc3c2C2(CC3)CCc3cccc(c32)O1 ZINC000043763887 554299569 /nfs/dbraw/zinc/29/95/69/554299569.db2.gz ZXLQLIDJAURBDD-HRPAVAKOSA-N 1 1 505.598 8.688 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1 ZINC000046853911 554320826 /nfs/dbraw/zinc/32/08/26/554320826.db2.gz MKBLNESQWUGLTI-UHFFFAOYSA-N 1 1 547.659 5.522 50 0 KKAAMO Cc1cccc(CN2c3cc(C(=O)NCC[N@H+](C)C4CCCCC4)ccc3S/C(=C/c3ccccc3)C2=O)c1 ZINC000049746791 554325009 /nfs/dbraw/zinc/32/50/09/554325009.db2.gz CHHWKRVQTMMFFT-NJZRLIGZSA-N 1 1 539.745 6.669 50 0 KKAAMO O=C(Cc1c(F)cccc1Cl)Nc1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)ccc1N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000049918163 554327348 /nfs/dbraw/zinc/32/73/48/554327348.db2.gz NTLFXGAMZYNQEE-IAPPQJPRSA-N 1 1 654.186 5.404 50 0 KKAAMO Cc1[nH+]c2cc(Nc3nc(CN4CCOCC4)nc4scc(-c5ccccc5)c43)ccc2n1-c1ccccc1 ZINC000051103436 554329105 /nfs/dbraw/zinc/32/91/05/554329105.db2.gz VDNOMKWKRFABGS-UHFFFAOYSA-N 1 1 532.673 6.581 50 0 KKAAMO O=C1CC(=C(c2ccccc2)c2ccccc2)C(=O)N1CC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000053092588 554329735 /nfs/dbraw/zinc/32/97/35/554329735.db2.gz UWCMIDIOYALUAY-UHFFFAOYSA-N 1 1 519.567 5.088 50 0 KKAAMO COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2cccc(C)c2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000053291023 554331611 /nfs/dbraw/zinc/33/16/11/554331611.db2.gz DCLLBLJAGVJDPK-UHFFFAOYSA-N 1 1 582.751 6.053 50 0 KKAAMO COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2cccc(C)c2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000053291023 554331608 /nfs/dbraw/zinc/33/16/08/554331608.db2.gz DCLLBLJAGVJDPK-UHFFFAOYSA-N 1 1 582.751 6.053 50 0 KKAAMO CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@@H+](Cc1ccccc1)C3 ZINC000053306831 554334230 /nfs/dbraw/zinc/33/42/30/554334230.db2.gz WPUMDHQZYBTFDJ-UHFFFAOYSA-N 1 1 547.746 6.139 50 0 KKAAMO CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[N@H+](Cc1ccccc1)C3 ZINC000053306831 554334233 /nfs/dbraw/zinc/33/42/33/554334233.db2.gz WPUMDHQZYBTFDJ-UHFFFAOYSA-N 1 1 547.746 6.139 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2cccc(C)c2)CC[N@H+](Cc2ccccc2)C4)cc1 ZINC000053319159 554336124 /nfs/dbraw/zinc/33/61/24/554336124.db2.gz CBJDHCYTVKVLDA-UHFFFAOYSA-N 1 1 539.726 6.615 50 0 KKAAMO COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2cccc(C)c2)CC[N@@H+](Cc2ccccc2)C4)cc1 ZINC000053319159 554336120 /nfs/dbraw/zinc/33/61/20/554336120.db2.gz CBJDHCYTVKVLDA-UHFFFAOYSA-N 1 1 539.726 6.615 50 0 KKAAMO O=C(c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000053365147 554347651 /nfs/dbraw/zinc/34/76/51/554347651.db2.gz LKEZUIPKVRSZDM-NOZRDPDXSA-N 1 1 551.638 6.152 50 0 KKAAMO COc1ccc([C@@H](c2c(C)c(C)sc2NC(=O)c2ccccc2)[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000054105772 554348661 /nfs/dbraw/zinc/34/86/61/554348661.db2.gz PNJPTHNGBADFQK-LJAQVGFWSA-N 1 1 529.681 6.677 50 0 KKAAMO O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccccc1I ZINC000055545150 554350977 /nfs/dbraw/zinc/35/09/77/554350977.db2.gz PTSXRIGTQAIDLA-UHFFFAOYSA-N 1 1 515.370 5.005 50 0 KKAAMO Cc1ccc(S(=O)(=O)N(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc(F)cc2)cc1 ZINC000059647300 554417708 /nfs/dbraw/zinc/41/77/08/554417708.db2.gz VJSHZXSCEIQWJL-UHFFFAOYSA-N 1 1 557.691 5.263 50 0 KKAAMO CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100859901 554494376 /nfs/dbraw/zinc/49/43/76/554494376.db2.gz SEBQUPOESZCFBS-PUHABZHSSA-N 1 1 542.035 5.673 50 0 KKAAMO CCCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000100859901 554494377 /nfs/dbraw/zinc/49/43/77/554494377.db2.gz SEBQUPOESZCFBS-PUHABZHSSA-N 1 1 542.035 5.673 50 0 KKAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@H+](C)CCOc2ccc(Br)cc2)cc1Cl ZINC000062674489 554508045 /nfs/dbraw/zinc/50/80/45/554508045.db2.gz MEXQAQKONLUVEO-HSZRJFAPSA-N 1 1 503.824 5.802 50 0 KKAAMO COc1ccc(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CCOc2ccc(Br)cc2)cc1Cl ZINC000062674489 554508049 /nfs/dbraw/zinc/50/80/49/554508049.db2.gz MEXQAQKONLUVEO-HSZRJFAPSA-N 1 1 503.824 5.802 50 0 KKAAMO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccccc3c3cc(Cl)ccc32)CC1 ZINC000067997825 554538198 /nfs/dbraw/zinc/53/81/98/554538198.db2.gz VXASWNCNDAMJFB-IZZNHLLZSA-N 1 1 636.023 6.902 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(C)c1 ZINC000101098050 554585129 /nfs/dbraw/zinc/58/51/29/554585129.db2.gz UWNPSUUQEKKVKV-QUMGSSFMSA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c(C)c1 ZINC000101098050 554585130 /nfs/dbraw/zinc/58/51/30/554585130.db2.gz UWNPSUUQEKKVKV-QUMGSSFMSA-N 1 1 531.534 5.476 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OCC)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254798 554695520 /nfs/dbraw/zinc/69/55/20/554695520.db2.gz QXQKUXWRKLZDRH-XIFFEERXSA-N 1 1 643.854 5.413 50 0 KKAAMO Cc1ccc(N2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C2=S)cc1 ZINC000101254861 554695779 /nfs/dbraw/zinc/69/57/79/554695779.db2.gz YXGIZWNUKSPTMN-GDLZYMKVSA-N 1 1 590.193 5.187 50 0 KKAAMO COc1cc(C[N@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[C@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000101260301 554697248 /nfs/dbraw/zinc/69/72/48/554697248.db2.gz RMZDPVZMBJRRKO-BJKOFHAPSA-N 1 1 544.589 6.092 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000101299275 554712744 /nfs/dbraw/zinc/71/27/44/554712744.db2.gz XFAQETCWONQQOS-GHMVGRGESA-N 1 1 550.942 8.388 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000101321353 554728211 /nfs/dbraw/zinc/72/82/11/554728211.db2.gz FDBJOTRTGIYKHF-BANVDVKSSA-N 1 1 534.015 5.508 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@@]12C(=O)Nc1ccccc12 ZINC000101321353 554728213 /nfs/dbraw/zinc/72/82/13/554728213.db2.gz FDBJOTRTGIYKHF-BANVDVKSSA-N 1 1 534.015 5.508 50 0 KKAAMO Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC[NH+]2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000101322575 554728491 /nfs/dbraw/zinc/72/84/91/554728491.db2.gz YCWBQWPGEFVGID-UHFFFAOYSA-N 1 1 578.175 5.555 50 0 KKAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101333808 554733888 /nfs/dbraw/zinc/73/38/88/554733888.db2.gz IOHFBRGXIAFWKH-BYSIJJKSSA-N 1 1 532.427 5.316 50 0 KKAAMO Cc1c2c(ccc1Cl)[C@]1(C(=O)N2)[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101333808 554733890 /nfs/dbraw/zinc/73/38/90/554733890.db2.gz IOHFBRGXIAFWKH-BYSIJJKSSA-N 1 1 532.427 5.316 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000101341549 554735595 /nfs/dbraw/zinc/73/55/95/554735595.db2.gz YFGKOZWXRWYBSB-CHJDUVSTSA-N 1 1 583.795 5.444 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000101341596 554735905 /nfs/dbraw/zinc/73/59/05/554735905.db2.gz ZUBFLAGZJNQECR-CLYVBNDRSA-N 1 1 596.577 5.453 50 0 KKAAMO CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)cc21 ZINC000101373462 554745546 /nfs/dbraw/zinc/74/55/46/554745546.db2.gz MLSLMLKCVKREIF-USHMODERSA-N 1 1 565.114 5.531 50 0 KKAAMO CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc21 ZINC000101374229 554745694 /nfs/dbraw/zinc/74/56/94/554745694.db2.gz JFRDEBLBFSZDOD-IMRQLAEWSA-N 1 1 567.542 5.655 50 0 KKAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4cc(Br)ccc4N4CC[N@@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391634 554755184 /nfs/dbraw/zinc/75/51/84/554755184.db2.gz HMYBVOZWVICHGA-GRKNLSHJSA-N 1 1 587.518 5.282 50 0 KKAAMO O=C(NCC[NH+]1CCC(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000101416683 554765490 /nfs/dbraw/zinc/76/54/90/554765490.db2.gz ADFGZFCTPFAIMX-UHFFFAOYSA-N 1 1 593.749 5.364 50 0 KKAAMO Cc1oc(-c2ccc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)cc2)nc1COc1ccc(C)cc1 ZINC000101448543 554774964 /nfs/dbraw/zinc/77/49/64/554774964.db2.gz GPMGTBKNGMYQGX-UHFFFAOYSA-N 1 1 538.692 5.475 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000101502691 554789046 /nfs/dbraw/zinc/78/90/46/554789046.db2.gz ZODSENOKEKNKAW-DIKZQZFXSA-N 1 1 593.005 5.439 50 0 KKAAMO Cc1cccc(CN2c3ccccc3O/C(=C/c3ccc(C(=O)NCCC[N@H+](C)Cc4ccccc4)cc3)C2=O)c1 ZINC000101506680 554790652 /nfs/dbraw/zinc/79/06/52/554790652.db2.gz ZQCIKFANWMVSAX-GZZLJNBRSA-N 1 1 545.683 6.214 50 0 KKAAMO Cc1ccc(/C=C2/Sc3ccc(C(=O)NCC[NH+]4CCN(c5cccc(Cl)c5)CC4)cc3NC2=O)cc1 ZINC000101507073 554791238 /nfs/dbraw/zinc/79/12/38/554791238.db2.gz NFYMLDLMJIWWMW-WPWMEQJKSA-N 1 1 533.097 5.286 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 ZINC000101510641 554792347 /nfs/dbraw/zinc/79/23/47/554792347.db2.gz LUAJHQPALGVMFU-NIVHOULJSA-N 1 1 559.453 5.073 50 0 KKAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101618515 554806630 /nfs/dbraw/zinc/80/66/30/554806630.db2.gz ZMIGMFWBUIHALR-IOWSJCHKSA-N 1 1 556.776 5.296 50 0 KKAAMO Cc1ccc(NC(=S)N(CCC[N@H+](C)C2CCCCC2)Cc2cccn2Cc2ccc(Cl)cc2)cc1Cl ZINC000101633884 554812437 /nfs/dbraw/zinc/81/24/37/554812437.db2.gz XVXNTMJXGGCLRE-UHFFFAOYSA-N 1 1 557.635 8.005 50 0 KKAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000101637245 554813358 /nfs/dbraw/zinc/81/33/58/554813358.db2.gz MMMDPRJEHMOAAD-CKWSZQMZSA-N 1 1 620.794 6.443 50 0 KKAAMO O=C(c1ccc(N2CCCCC2)cc1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000101773098 554837601 /nfs/dbraw/zinc/83/76/01/554837601.db2.gz RWUFYEKNXAQYDR-HKBQPEDESA-N 1 1 567.778 5.321 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000101843153 554842975 /nfs/dbraw/zinc/84/29/75/554842975.db2.gz DFSIEZWLZUDNIX-XZWHSSHBSA-N 1 1 544.765 5.009 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](CCc3c[nH]c4ccccc34)Cc3sccc3C)n2)C1 ZINC000101855173 554843585 /nfs/dbraw/zinc/84/35/85/554843585.db2.gz OQBBEBQXWCMSHW-JOCHJYFZSA-N 1 1 534.682 5.186 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](CCc3c[nH]c4ccccc34)Cc3sccc3C)n2)C1 ZINC000101855173 554843587 /nfs/dbraw/zinc/84/35/87/554843587.db2.gz OQBBEBQXWCMSHW-JOCHJYFZSA-N 1 1 534.682 5.186 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2C)CC[N@H+](C)C4)c1 ZINC000101916547 554850451 /nfs/dbraw/zinc/85/04/51/554850451.db2.gz FRVDVVHRZOPBHW-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2C)CC[N@@H+](C)C4)c1 ZINC000101916547 554850453 /nfs/dbraw/zinc/85/04/53/554850453.db2.gz FRVDVVHRZOPBHW-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(Cl)c2)CC[N@H+](C)C4)c1 ZINC000101916585 554850687 /nfs/dbraw/zinc/85/06/87/554850687.db2.gz XYIRFCDPJOSNSB-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(Cl)c2)CC[N@@H+](C)C4)c1 ZINC000101916585 554850691 /nfs/dbraw/zinc/85/06/91/554850691.db2.gz XYIRFCDPJOSNSB-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000102010296 554866916 /nfs/dbraw/zinc/86/69/16/554866916.db2.gz QHAOIYSCROLCPH-MFMCTBQISA-N 1 1 594.722 5.823 50 0 KKAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)NCc2ccc(C(F)(F)F)cc2)CC1 ZINC000102010296 554866917 /nfs/dbraw/zinc/86/69/17/554866917.db2.gz QHAOIYSCROLCPH-MFMCTBQISA-N 1 1 594.722 5.823 50 0 KKAAMO CCOc1ccccc1C[N@@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000102023756 554867382 /nfs/dbraw/zinc/86/73/82/554867382.db2.gz ALPDODWPTPPZCZ-LXFBAYGMSA-N 1 1 559.711 5.185 50 0 KKAAMO CCOc1ccccc1C[N@H+]1C[C@H](Sc2nc3ccccc3[nH]2)C[C@H]1C(=O)N1CCN(c2ccccc2F)CC1 ZINC000102023756 554867386 /nfs/dbraw/zinc/86/73/86/554867386.db2.gz ALPDODWPTPPZCZ-LXFBAYGMSA-N 1 1 559.711 5.185 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)N(C)Cc2cc3ccccc3s2)c2ccccc12 ZINC000102094900 554879194 /nfs/dbraw/zinc/87/91/94/554879194.db2.gz VBZOROKHDHDTBL-WNJJXGMVSA-N 1 1 582.795 6.864 50 0 KKAAMO COc1ccc(C[N@H+]2C[C@@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)N(C)Cc2cc3ccccc3s2)c2ccccc12 ZINC000102094900 554879196 /nfs/dbraw/zinc/87/91/96/554879196.db2.gz VBZOROKHDHDTBL-WNJJXGMVSA-N 1 1 582.795 6.864 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102098971 554880733 /nfs/dbraw/zinc/88/07/33/554880733.db2.gz RVTLWFPADAOMIX-LBNVMWSVSA-N 1 1 562.598 7.738 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102100767 554881539 /nfs/dbraw/zinc/88/15/39/554881539.db2.gz AUVAQWUFJGORMA-NDEPHWFRSA-N 1 1 618.553 7.116 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102100767 554881541 /nfs/dbraw/zinc/88/15/41/554881541.db2.gz AUVAQWUFJGORMA-NDEPHWFRSA-N 1 1 618.553 7.116 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccco1 ZINC000102100866 554881799 /nfs/dbraw/zinc/88/17/99/554881799.db2.gz DRQPGZKWEHAVDY-SANMLTNESA-N 1 1 529.618 5.946 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccco1 ZINC000102100866 554881802 /nfs/dbraw/zinc/88/18/02/554881802.db2.gz DRQPGZKWEHAVDY-SANMLTNESA-N 1 1 529.618 5.946 50 0 KKAAMO Cc1ccc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)CC(C)C)cc1 ZINC000102102924 554882029 /nfs/dbraw/zinc/88/20/29/554882029.db2.gz XJANMOAHSDGQBJ-UHFFFAOYSA-N 1 1 536.547 7.513 50 0 KKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)c(Cl)c1 ZINC000102102918 554882037 /nfs/dbraw/zinc/88/20/37/554882037.db2.gz XBNVLIGZAWRFAX-UHFFFAOYSA-N 1 1 591.410 8.511 50 0 KKAAMO CC(C)C[N@H+]1CC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)[C@@H](CCC(=O)N(C)CCc2ccccn2)C1 ZINC000102117207 554882828 /nfs/dbraw/zinc/88/28/28/554882828.db2.gz PXOPTPPZQRUAMZ-ABYGYWHVSA-N 1 1 559.721 5.050 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000102357564 554915752 /nfs/dbraw/zinc/91/57/52/554915752.db2.gz PYQVQURRIODVGI-MFMCTBQISA-N 1 1 594.722 5.823 50 0 KKAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)NCc2cccc(C(F)(F)F)c2)CC1 ZINC000102357564 554915755 /nfs/dbraw/zinc/91/57/55/554915755.db2.gz PYQVQURRIODVGI-MFMCTBQISA-N 1 1 594.722 5.823 50 0 KKAAMO O=C(Cc1cccc(C(F)(F)F)c1)N1CCC[C@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000102384450 554918508 /nfs/dbraw/zinc/91/85/08/554918508.db2.gz BSWGBMBMGIHUFU-NDEPHWFRSA-N 1 1 566.668 5.278 50 0 KKAAMO Cc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2ccc(Cl)cc2Cl)C[N@@H+](Cc2ccccc2)CC4)c1 ZINC000102434822 554927613 /nfs/dbraw/zinc/92/76/13/554927613.db2.gz DDCZIMAOMDFKBJ-UHFFFAOYSA-N 1 1 621.615 7.352 50 0 KKAAMO Cc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2ccc(Cl)cc2Cl)C[N@H+](Cc2ccccc2)CC4)c1 ZINC000102434822 554927616 /nfs/dbraw/zinc/92/76/16/554927616.db2.gz DDCZIMAOMDFKBJ-UHFFFAOYSA-N 1 1 621.615 7.352 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000102438690 554928911 /nfs/dbraw/zinc/92/89/11/554928911.db2.gz BNKSMNUMXUZSKY-AXEVPAOMSA-N 1 1 576.052 6.086 50 0 KKAAMO COc1cccc(C(=O)OCCN2CC[NH+](CCCN3c4ccccc4Sc4ccc(Cl)cc43)CC2)c1 ZINC000102447647 554930788 /nfs/dbraw/zinc/93/07/88/554930788.db2.gz ZWFYUTNLWVXCHP-UHFFFAOYSA-N 1 1 538.113 5.816 50 0 KKAAMO COc1ccccc1CCNC(=O)CC[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000102459738 554935110 /nfs/dbraw/zinc/93/51/10/554935110.db2.gz PXDHGVCFIXPMTN-QCENPCRXSA-N 1 1 593.187 5.640 50 0 KKAAMO COc1ccccc1CCNC(=O)CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCN(c2ccccc2F)CC1 ZINC000102459738 554935111 /nfs/dbraw/zinc/93/51/11/554935111.db2.gz PXDHGVCFIXPMTN-QCENPCRXSA-N 1 1 593.187 5.640 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(OC)ccc2OC)CC[N@H+](C)C4)cc1 ZINC000102499468 554941902 /nfs/dbraw/zinc/94/19/02/554941902.db2.gz PEZHTUZOSDWWBV-NDEPHWFRSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(OC)ccc2OC)CC[N@@H+](C)C4)cc1 ZINC000102499468 554941903 /nfs/dbraw/zinc/94/19/03/554941903.db2.gz PEZHTUZOSDWWBV-NDEPHWFRSA-N 1 1 544.677 5.690 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCCO4)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499846 554942530 /nfs/dbraw/zinc/94/25/30/554942530.db2.gz FKBOQJHUSFVTAW-HHHXNRCGSA-N 1 1 547.080 6.088 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCCO4)[C@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000102499846 554942532 /nfs/dbraw/zinc/94/25/32/554942532.db2.gz FKBOQJHUSFVTAW-HHHXNRCGSA-N 1 1 547.080 6.088 50 0 KKAAMO COCC[N@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000102570983 554970606 /nfs/dbraw/zinc/97/06/06/554970606.db2.gz WYGWLUWZILKYPU-UHFFFAOYSA-N 1 1 547.648 5.247 50 0 KKAAMO COCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(OC)c(OC)c1 ZINC000102570983 554970607 /nfs/dbraw/zinc/97/06/07/554970607.db2.gz WYGWLUWZILKYPU-UHFFFAOYSA-N 1 1 547.648 5.247 50 0 KKAAMO Cc1ccc(-c2cc3c(c(OC[C@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)c2ccc(N4CCOCC4)cc2)C3)s1 ZINC000102582646 554972690 /nfs/dbraw/zinc/97/26/90/554972690.db2.gz JEQOHRDYGFOKHD-DEOSSOPVSA-N 1 1 561.748 5.316 50 0 KKAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccc(C(F)(F)F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000102588217 554973554 /nfs/dbraw/zinc/97/35/54/554973554.db2.gz DNBQODSTDCIEPN-ABYGYWHVSA-N 1 1 542.617 6.867 50 0 KKAAMO O=C(c1ccc(C(F)(F)F)c(F)c1)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000102592475 554974183 /nfs/dbraw/zinc/97/41/83/554974183.db2.gz SGNLBXFHZLWFIZ-UHFFFAOYSA-N 1 1 569.426 7.105 50 0 KKAAMO O=C(C(c1ccccc1)c1ccccc1)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000102592166 554974202 /nfs/dbraw/zinc/97/42/02/554974202.db2.gz UUJPXNRJAAOIHY-UHFFFAOYSA-N 1 1 573.564 7.466 50 0 KKAAMO CSc1cccc(NC(=O)CC[C@H]2C[N@H+](C(C)C)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102703028 555013298 /nfs/dbraw/zinc/01/32/98/555013298.db2.gz OUYLUQBQMQEQJK-WXVAWEFUSA-N 1 1 548.719 6.067 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000102705688 555014506 /nfs/dbraw/zinc/01/45/06/555014506.db2.gz DKCIAIOYRPTCCY-MFMCTBQISA-N 1 1 526.725 5.435 50 0 KKAAMO COc1ccccc1N1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2CCC(=O)Nc2ccc(C)cc2)CC1 ZINC000102705688 555014510 /nfs/dbraw/zinc/01/45/10/555014510.db2.gz DKCIAIOYRPTCCY-MFMCTBQISA-N 1 1 526.725 5.435 50 0 KKAAMO Cc1ccc(C)c(C[N@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000102710280 555016469 /nfs/dbraw/zinc/01/64/69/555016469.db2.gz MQJVZXXNGGZXBQ-GIGWZHCTSA-N 1 1 543.712 5.403 50 0 KKAAMO COc1ccc(C[N@@H+](Cc2ccc(C(O)(c3ccc(OC)cc3)c3ccc(OC)cc3)o2)C[C@@H]2CCCO2)cc1 ZINC000102772200 555061304 /nfs/dbraw/zinc/06/13/04/555061304.db2.gz GLTKLDFQPRGYBL-PMERELPUSA-N 1 1 543.660 5.771 50 0 KKAAMO COc1ccc(C[N@H+](Cc2ccc(C(O)(c3ccc(OC)cc3)c3ccc(OC)cc3)o2)C[C@@H]2CCCO2)cc1 ZINC000102772200 555061305 /nfs/dbraw/zinc/06/13/05/555061305.db2.gz GLTKLDFQPRGYBL-PMERELPUSA-N 1 1 543.660 5.771 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102773700 555062207 /nfs/dbraw/zinc/06/22/07/555062207.db2.gz QYQDPBFSISDNBS-FSUFCWANSA-N 1 1 527.624 5.417 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102773542 555062234 /nfs/dbraw/zinc/06/22/34/555062234.db2.gz PAJPQNKUPHTWLL-USUHSNIBSA-N 1 1 558.122 6.691 50 0 KKAAMO C[C@@H](c1ccccc1)[N@H+]1CC[C@H](CNC(=O)c2ccc3c(c2)N(C)C(=O)/C(=C\c2ccccc2Cl)S3)C1 ZINC000102778306 555064372 /nfs/dbraw/zinc/06/43/72/555064372.db2.gz BNLCJXLASIINLB-IEVYWPCISA-N 1 1 532.109 6.263 50 0 KKAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1 ZINC000102779861 555065377 /nfs/dbraw/zinc/06/53/77/555065377.db2.gz XPBBSNQUGOMBGS-VFCFBJKWSA-N 1 1 548.108 5.472 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2 ZINC000102787161 555068038 /nfs/dbraw/zinc/06/80/38/555068038.db2.gz FBJSPDULSNATLP-QHCPKHFHSA-N 1 1 552.115 6.785 50 0 KKAAMO O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1Cl)C(=O)c1ccccc1S2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000102787181 555068059 /nfs/dbraw/zinc/06/80/59/555068059.db2.gz KKTRSWIGCQNNLM-UHFFFAOYSA-N 1 1 572.105 6.749 50 0 KKAAMO CCCCNS(=O)(=O)c1ccc2nc(-c3cccs3)cc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c2c1 ZINC000102794469 555071259 /nfs/dbraw/zinc/07/12/59/555071259.db2.gz DLEFYVSGRCYCHD-OYRHEFFESA-N 1 1 542.771 5.140 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102840033 555081240 /nfs/dbraw/zinc/08/12/40/555081240.db2.gz RFSYZUIEKFFPTC-SIBVEZHUSA-N 1 1 542.532 5.684 50 0 KKAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102840653 555081434 /nfs/dbraw/zinc/08/14/34/555081434.db2.gz ZMKUAJSIYXRGKV-QYBDOPJKSA-N 1 1 528.505 5.376 50 0 KKAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102840653 555081436 /nfs/dbraw/zinc/08/14/36/555081436.db2.gz ZMKUAJSIYXRGKV-QYBDOPJKSA-N 1 1 528.505 5.376 50 0 KKAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102840650 555081516 /nfs/dbraw/zinc/08/15/16/555081516.db2.gz ZMKUAJSIYXRGKV-DWXRJYCRSA-N 1 1 528.505 5.376 50 0 KKAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000102840650 555081517 /nfs/dbraw/zinc/08/15/17/555081517.db2.gz ZMKUAJSIYXRGKV-DWXRJYCRSA-N 1 1 528.505 5.376 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102842345 555082927 /nfs/dbraw/zinc/08/29/27/555082927.db2.gz FZZSSTYZEPAUKN-SANMLTNESA-N 1 1 528.505 5.295 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102842345 555082930 /nfs/dbraw/zinc/08/29/30/555082930.db2.gz FZZSSTYZEPAUKN-SANMLTNESA-N 1 1 528.505 5.295 50 0 KKAAMO C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000103035441 555222578 /nfs/dbraw/zinc/22/25/78/555222578.db2.gz IXCAZCFHLFHPDR-RUZDIDTESA-N 1 1 551.712 5.374 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000103040199 555224860 /nfs/dbraw/zinc/22/48/60/555224860.db2.gz MFGSFJQYWNQDQK-WINIVTDRSA-N 1 1 574.644 6.008 50 0 KKAAMO O=C(C[C@H](c1cn(Cc2ccccc2)c2ccccc12)c1cccc(Oc2ccccc2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000103136440 555306577 /nfs/dbraw/zinc/30/65/77/555306577.db2.gz UQEDTIBMKFMGGP-LHEWISCISA-N 1 1 605.782 8.348 50 0 KKAAMO O=C(CN(CCC[NH+]1CCOCC1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N(Cc1ccco1)C[C@@H]1CCCO1 ZINC000103146969 555314023 /nfs/dbraw/zinc/31/40/23/555314023.db2.gz OXCHSFZVFMNOKU-DEOSSOPVSA-N 1 1 620.591 5.081 50 0 KKAAMO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](Cc3ccc(Cl)cc3)CC1)nc2-c1ccc(F)cc1 ZINC000103170242 555324510 /nfs/dbraw/zinc/32/45/10/555324510.db2.gz GZNZIGNSWIBGBM-UHFFFAOYSA-N 1 1 528.035 5.239 50 0 KKAAMO C[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccccc3Cl)n2-c2cccc(Cl)c2)CC1 ZINC000103175536 555326952 /nfs/dbraw/zinc/32/69/52/555326952.db2.gz NLQHHQOZBMNAMZ-UHFFFAOYSA-N 1 1 538.504 5.921 50 0 KKAAMO CC(C)[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000103204609 555338921 /nfs/dbraw/zinc/33/89/21/555338921.db2.gz GNVYSLWFVCJBOJ-JGCGQSQUSA-N 1 1 569.790 6.325 50 0 KKAAMO Nc1c2c(nn1Cc1ccccc1)nc(N1CC[NH+](Cc3ccc(Cl)cc3)CC1)nc2-c1ccccc1F ZINC000103234946 555342060 /nfs/dbraw/zinc/34/20/60/555342060.db2.gz FEJIQNGWIWUOPV-UHFFFAOYSA-N 1 1 528.035 5.239 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC000103355305 555363878 /nfs/dbraw/zinc/36/38/78/555363878.db2.gz RFNCQQRMQIRZNF-ZTXZFYJXSA-N 1 1 545.793 5.670 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000103363204 555365263 /nfs/dbraw/zinc/36/52/63/555365263.db2.gz HSCHHAAYXUKTPQ-PPHZAIPVSA-N 1 1 574.644 6.008 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000103363154 555365290 /nfs/dbraw/zinc/36/52/90/555365290.db2.gz SGHUENSJVVOIES-CLYVBNDRSA-N 1 1 575.537 6.296 50 0 KKAAMO COc1cccc(NC(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5cc(C)ccc5C)cn43)CC2)c1 ZINC000103398356 555384998 /nfs/dbraw/zinc/38/49/98/555384998.db2.gz DSTZJKOJCHLKNB-UHFFFAOYSA-N 1 1 545.687 6.643 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000103420744 555401094 /nfs/dbraw/zinc/40/10/94/555401094.db2.gz WAZFLLWKLPWGOR-UMSFTDKQSA-N 1 1 617.790 6.972 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(C)cc3)c3ccccc23)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000103420698 555401156 /nfs/dbraw/zinc/40/11/56/555401156.db2.gz RZCVMPUNWJCHDK-PGUFJCEWSA-N 1 1 571.765 7.263 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000103421079 555401672 /nfs/dbraw/zinc/40/16/72/555401672.db2.gz NNKQBBGWJAMPQZ-PGUFJCEWSA-N 1 1 587.764 6.963 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(C(F)(F)F)cc4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000103421295 555401893 /nfs/dbraw/zinc/40/18/93/555401893.db2.gz WIUPNMZZTPRBCJ-UHFFFAOYSA-N 1 1 590.690 7.036 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccccc4Cl)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000103421322 555402014 /nfs/dbraw/zinc/40/20/14/555402014.db2.gz ABAVSYWAIJCBQU-UHFFFAOYSA-N 1 1 557.138 6.671 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(OC)cc3)c3ccccc23)c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000103427525 555408976 /nfs/dbraw/zinc/40/89/76/555408976.db2.gz KTSLPWBGVINKLK-SANMLTNESA-N 1 1 584.082 7.057 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000103518451 555424008 /nfs/dbraw/zinc/42/40/08/555424008.db2.gz PJAKLDZWFIABNU-SMVSGJMUSA-N 1 1 556.460 5.026 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(Cl)cc4)N3[C@H]2c2ccc(OC(F)F)cc2)/C(=C/c2ccc(OC(F)F)cc2)C1 ZINC000103559253 555447610 /nfs/dbraw/zinc/44/76/10/555447610.db2.gz MBERVRUVKNXIOP-BSKIJULFSA-N 1 1 614.064 8.284 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@@]2=O ZINC000169293630 562852074 /nfs/dbraw/zinc/85/20/74/562852074.db2.gz JVAQZMVDSSVXGG-NWWWKGIRSA-N 1 1 564.151 6.052 50 0 KKAAMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccco1 ZINC000252257117 562881705 /nfs/dbraw/zinc/88/17/05/562881705.db2.gz MYKURCFTIZBVPS-WORDSIFZSA-N 1 1 574.718 6.089 50 0 KKAAMO COc1cccc(C(O)=C2[C@@H](C(=O)c3ccc(C)cc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101298984 571361295 /nfs/dbraw/zinc/36/12/95/571361295.db2.gz AUNLEKHFCIIDLO-CXNUKBDRSA-N 1 1 540.619 5.985 50 0 KKAAMO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101298984 571361296 /nfs/dbraw/zinc/36/12/96/571361296.db2.gz AUNLEKHFCIIDLO-CXNUKBDRSA-N 1 1 540.619 5.985 50 0 KKAAMO COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccc(C)cc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000101298984 571361297 /nfs/dbraw/zinc/36/12/97/571361297.db2.gz AUNLEKHFCIIDLO-CXNUKBDRSA-N 1 1 540.619 5.985 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3ccc(OC)cc3OC)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288044 571361543 /nfs/dbraw/zinc/36/15/43/571361543.db2.gz BSKCIARFZJDADB-HDHDNLQWSA-N 1 1 614.698 6.474 50 0 KKAAMO CCCOc1ccc(C(O)=C2[C@H](C(=O)c3cccc(OC)c3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103288093 571361547 /nfs/dbraw/zinc/36/15/47/571361547.db2.gz HEZOLSWARVYMRV-JWXXLELASA-N 1 1 584.672 6.466 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103288130 571361599 /nfs/dbraw/zinc/36/15/99/571361599.db2.gz NZTUBLJDNCPHMP-KCQQKVKYSA-N 1 1 555.634 5.852 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)c1ccc(C(C)C)cc1)[C@@H](c1ccco1)C[N@@H+]2C ZINC000103888730 571368677 /nfs/dbraw/zinc/36/86/77/571368677.db2.gz VFYDLZMBKCOEOJ-JZHXZMHJSA-N 1 1 518.657 6.682 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)c1ccc(C(C)C)cc1)[C@@H](c1ccco1)C[N@H+]2C ZINC000103888730 571368678 /nfs/dbraw/zinc/36/86/78/571368678.db2.gz VFYDLZMBKCOEOJ-JZHXZMHJSA-N 1 1 518.657 6.682 50 0 KKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984707 571388719 /nfs/dbraw/zinc/38/87/19/571388719.db2.gz JTVUCQXNNMSOLD-DNQXCXABSA-N 1 1 517.428 5.705 50 0 KKAAMO Cc1cccc(C[N@@H+](C[C@@H](Oc2ccc(F)c(F)c2)C(=O)NCc2cccc(C(F)(F)F)c2)C[C@@H]2CCCO2)c1 ZINC000105044265 571390335 /nfs/dbraw/zinc/39/03/35/571390335.db2.gz PCYPAXKKKZBVFE-LBNVMWSVSA-N 1 1 562.579 6.037 50 0 KKAAMO 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MEQREPYTSVSAKS-YCAMKHIRSA-N 1 1 537.925 5.513 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000107175275 571419801 /nfs/dbraw/zinc/41/98/01/571419801.db2.gz MEQREPYTSVSAKS-YCAMKHIRSA-N 1 1 537.925 5.513 50 0 KKAAMO O=C(NCCC[NH+]1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O ZINC000150387837 571470390 /nfs/dbraw/zinc/47/03/90/571470390.db2.gz OMBRXXQHSLGWSW-UHFFFAOYSA-N 1 1 643.209 5.271 50 0 KKAAMO COc1cc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc(OC)c1OC ZINC000150389104 571471433 /nfs/dbraw/zinc/47/14/33/571471433.db2.gz ZODHJNATUAGWEG-UHFFFAOYSA-N 1 1 662.057 7.734 50 0 KKAAMO COc1ccc(C(C2C(=O)NC(=S)[C@@H](c3ccc(C)cc3)C2=O)C2C(=O)NC(=S)[C@@H](c3ccc(C)cc3)C2=O)cc1C[NH+]1CCCCC1 ZINC000150390328 571472595 /nfs/dbraw/zinc/47/25/95/571472595.db2.gz XBASESAJEWAPAG-KYJUHHDHSA-N 1 1 681.880 7.310 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000150396107 571476290 /nfs/dbraw/zinc/47/62/90/571476290.db2.gz HWAWYDAEOFZDMI-HKBQPEDESA-N 1 1 664.272 5.676 50 0 KKAAMO O[C@@H](COc1ccc2ccccc2c1Br)CN1CC[NH+](C[C@@H](O)COc2ccc3ccccc3c2Br)CC1 ZINC000150431893 571493920 /nfs/dbraw/zinc/49/39/20/571493920.db2.gz DLSUCJPJRBNERY-DNQXCXABSA-N 1 1 644.404 5.315 50 0 KKAAMO COc1ccc([C@H](C2C(=O)NC(=S)[C@H](c3cccc(C)c3)C2=O)C2C(=O)NC(=S)[C@@H](c3cccc(C)c3)C2=O)cc1C[NH+]1CCCCC1 ZINC000150448944 571501747 /nfs/dbraw/zinc/50/17/47/571501747.db2.gz AXEJRFSNHYWKGP-BQRNWKATSA-N 1 1 681.880 7.310 50 0 KKAAMO COCCC[N@H+](Cc1c(-c2ccccc2)noc1N1CCCC[C@@H]1C)C[C@@H](O)COCc1ccccc1 ZINC000169677703 571555168 /nfs/dbraw/zinc/55/51/68/571555168.db2.gz DIFHZIUDXDUUFQ-RPLLCQBOSA-N 1 1 507.675 5.137 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)cc1 ZINC000169677813 571555282 /nfs/dbraw/zinc/55/52/82/571555282.db2.gz SPPIQBDUWZMYLC-CCLHPLFOSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)cc1 ZINC000169677813 571555287 /nfs/dbraw/zinc/55/52/87/571555287.db2.gz SPPIQBDUWZMYLC-CCLHPLFOSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169677823 571555301 /nfs/dbraw/zinc/55/53/01/571555301.db2.gz JWQYFHKDUTVCAY-YUDQIZAISA-N 1 1 529.750 5.675 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169677823 571555304 /nfs/dbraw/zinc/55/53/04/571555304.db2.gz JWQYFHKDUTVCAY-YUDQIZAISA-N 1 1 529.750 5.675 50 0 KKAAMO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677739 571555348 /nfs/dbraw/zinc/55/53/48/571555348.db2.gz XCNDMYKLQOKWQU-RSXGOPAZSA-N 1 1 513.629 5.031 50 0 KKAAMO C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000169677732 571555413 /nfs/dbraw/zinc/55/54/13/571555413.db2.gz LJGZUDQKQVFSON-OEQAEZTDSA-N 1 1 507.600 5.488 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)cc1 ZINC000169678080 571555684 /nfs/dbraw/zinc/55/56/84/571555684.db2.gz GIALBAPEFMMVAR-DCFHFQCYSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccc([C@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3)[C@@H](C)C2)cc1 ZINC000169678080 571555687 /nfs/dbraw/zinc/55/56/87/571555687.db2.gz GIALBAPEFMMVAR-DCFHFQCYSA-N 1 1 508.087 5.031 50 0 KKAAMO COc1ccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCc4ccccc4)C[C@@H]23)cc1 ZINC000169678769 571555933 /nfs/dbraw/zinc/55/59/33/571555933.db2.gz SNBZYKGSARCDRH-BDYUSTAISA-N 1 1 509.572 5.258 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000169680313 571556740 /nfs/dbraw/zinc/55/67/40/571556740.db2.gz XXEBEZWRQFUMQS-RPWUZVMVSA-N 1 1 511.638 5.133 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000169680313 571556741 /nfs/dbraw/zinc/55/67/41/571556741.db2.gz XXEBEZWRQFUMQS-RPWUZVMVSA-N 1 1 511.638 5.133 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)[C@@H](C)C2)cc1 ZINC000169680888 571557245 /nfs/dbraw/zinc/55/72/45/571557245.db2.gz QXXSAVXKVKGEHG-QXNWPYRLSA-N 1 1 579.832 5.613 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680882 571557324 /nfs/dbraw/zinc/55/73/24/571557324.db2.gz KMBSGQASVNVNGI-GTYOFVGBSA-N 1 1 547.740 5.941 50 0 KKAAMO O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169681806 571557740 /nfs/dbraw/zinc/55/77/40/571557740.db2.gz LRNXZRZFTIELAZ-AHWVRZQESA-N 1 1 515.526 5.163 50 0 KKAAMO CC[C@@H](C)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000263586230 572122449 /nfs/dbraw/zinc/12/24/49/572122449.db2.gz ROCADMIWBQUQNA-ACWDODGESA-N 1 1 648.845 5.070 50 0 KKAAMO c1ccc(ON2P(Oc3ccccc3)N=P(Oc3ccccc3)(Oc3ccccc3)N(Oc3ccccc3)[P@H+]2Oc2ccccc2)cc1 ZINC000263621390 572132004 /nfs/dbraw/zinc/13/20/04/572132004.db2.gz WIMMPRLEJHSVCV-UHFFFAOYSA-N 1 1 693.573 11.308 50 0 KKAAMO Cc1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)C[C@H]2C)cc1 ZINC000229868970 572163371 /nfs/dbraw/zinc/16/33/71/572163371.db2.gz JEUFFACBZORQHE-JOCHJYFZSA-N 1 1 538.493 6.874 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2cc(C)ccc2C)C3=O)cc1 ZINC000230082798 572182761 /nfs/dbraw/zinc/18/27/61/572182761.db2.gz AZCDAKJQRRXXQV-AQXLGOIHSA-N 1 1 534.656 6.266 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2cc(C)ccc2C)C3=O)cc1 ZINC000230082798 572182764 /nfs/dbraw/zinc/18/27/64/572182764.db2.gz AZCDAKJQRRXXQV-AQXLGOIHSA-N 1 1 534.656 6.266 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000230082775 572182812 /nfs/dbraw/zinc/18/28/12/572182812.db2.gz JXXFNIMAYIOZLT-VYVPPWFUSA-N 1 1 539.075 7.027 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000230082775 572182815 /nfs/dbraw/zinc/18/28/15/572182815.db2.gz JXXFNIMAYIOZLT-VYVPPWFUSA-N 1 1 539.075 7.027 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000245279891 572224104 /nfs/dbraw/zinc/22/41/04/572224104.db2.gz JHNPRHJCWGRMJY-DNQXCXABSA-N 1 1 528.093 5.783 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1CCCO1 ZINC000245279891 572224107 /nfs/dbraw/zinc/22/41/07/572224107.db2.gz JHNPRHJCWGRMJY-DNQXCXABSA-N 1 1 528.093 5.783 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000245281334 572225317 /nfs/dbraw/zinc/22/53/17/572225317.db2.gz XHJGHSHGCGHWMA-JWQCQUIFSA-N 1 1 529.628 5.266 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COCC(C)C)C[C@H]1CCCO1 ZINC000245281334 572225319 /nfs/dbraw/zinc/22/53/19/572225319.db2.gz XHJGHSHGCGHWMA-JWQCQUIFSA-N 1 1 529.628 5.266 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000245312366 572229769 /nfs/dbraw/zinc/22/97/69/572229769.db2.gz UYLTVABUSBFZQN-OLQMUTRHSA-N 1 1 515.569 5.003 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc5ccccc5c4)C(=O)[C@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000245312366 572229772 /nfs/dbraw/zinc/22/97/72/572229772.db2.gz UYLTVABUSBFZQN-OLQMUTRHSA-N 1 1 515.569 5.003 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000245325676 572231974 /nfs/dbraw/zinc/23/19/74/572231974.db2.gz BZAJHVYCKFSBJP-BDYUSTAISA-N 1 1 538.610 6.448 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245343049 572237374 /nfs/dbraw/zinc/23/73/74/572237374.db2.gz CXPDIMBNZQKTGR-XHCCPWGMSA-N 1 1 542.532 5.766 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000245343342 572238616 /nfs/dbraw/zinc/23/86/16/572238616.db2.gz MGLFGDLKKIEGCG-WBBHLRKXSA-N 1 1 529.750 5.801 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)c(C)c1 ZINC000245343560 572238962 /nfs/dbraw/zinc/23/89/62/572238962.db2.gz RWCHXWGSPHPFOK-WOXYUUSFSA-N 1 1 504.630 6.175 50 0 KKAAMO Cc1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@]23c2ccccc2N(Cc2ccccc2C)C3=O)c(C)c1 ZINC000245343560 572238964 /nfs/dbraw/zinc/23/89/64/572238964.db2.gz RWCHXWGSPHPFOK-WOXYUUSFSA-N 1 1 504.630 6.175 50 0 KKAAMO O=C(NCc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247459673 572242219 /nfs/dbraw/zinc/24/22/19/572242219.db2.gz AKLWVYCKPKUJCH-HXUWFJFHSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247469526 572242371 /nfs/dbraw/zinc/24/23/71/572242371.db2.gz DXTKWLCQENMOIQ-QFIPXVFZSA-N 1 1 551.916 6.029 50 0 KKAAMO O=C(Nc1cc(Cl)ccc1Cl)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247476240 572242388 /nfs/dbraw/zinc/24/23/88/572242388.db2.gz HFDLQBZHIYXVJW-UHFFFAOYSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247473594 572242497 /nfs/dbraw/zinc/24/24/97/572242497.db2.gz GJGLIWOKJLUHIJ-FQEVSTJZSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(NCc1ccc(Cl)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247482626 572242588 /nfs/dbraw/zinc/24/25/88/572242588.db2.gz JNAKOLFAGAUTIQ-HXUWFJFHSA-N 1 1 537.889 5.970 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247467789 572242619 /nfs/dbraw/zinc/24/26/19/572242619.db2.gz DCZVUUBAPVJPPK-KRWDZBQOSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1 ZINC000247513905 572242799 /nfs/dbraw/zinc/24/27/99/572242799.db2.gz UYJZISJKGUKEBB-UHFFFAOYSA-N 1 1 521.434 5.456 50 0 KKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247720849 572243811 /nfs/dbraw/zinc/24/38/11/572243811.db2.gz ALULUINHOLQDJX-HHHXNRCGSA-N 1 1 565.117 7.168 50 0 KKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247720849 572243813 /nfs/dbraw/zinc/24/38/13/572243813.db2.gz ALULUINHOLQDJX-HHHXNRCGSA-N 1 1 565.117 7.168 50 0 KKAAMO O=C(Nc1cccc2ccccc21)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247724480 572243837 /nfs/dbraw/zinc/24/38/37/572243837.db2.gz CLLWSCYJXFXQIC-QFIPXVFZSA-N 1 1 539.477 6.792 50 0 KKAAMO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247731286 572244096 /nfs/dbraw/zinc/24/40/96/572244096.db2.gz HLDFMSLWIGBGBE-IBGZPJMESA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247731286 572244097 /nfs/dbraw/zinc/24/40/97/572244097.db2.gz HLDFMSLWIGBGBE-IBGZPJMESA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1ccc(F)cc1F)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247727670 572244154 /nfs/dbraw/zinc/24/41/54/572244154.db2.gz FDRHURYFTWKVPW-UHFFFAOYSA-N 1 1 525.397 5.917 50 0 KKAAMO O=C(Nc1ccc(Cl)c(Cl)c1)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247731497 572244171 /nfs/dbraw/zinc/24/41/71/572244171.db2.gz HTOFVJAPCMOXEG-UHFFFAOYSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1ccccc1F)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247731293 572244206 /nfs/dbraw/zinc/24/42/06/572244206.db2.gz HLFBBMFOPQCHIN-UHFFFAOYSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247743902 572244473 /nfs/dbraw/zinc/24/44/73/572244473.db2.gz PGVMPDSGAYWRRB-SFHVURJKSA-N 1 1 568.313 6.401 50 0 KKAAMO O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247754743 572244741 /nfs/dbraw/zinc/24/47/41/572244741.db2.gz WNICLMRSUCSYHR-KRWDZBQOSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247840042 572246029 /nfs/dbraw/zinc/24/60/29/572246029.db2.gz FBBBCXJDCSHISH-OAQYLSRUSA-N 1 1 550.053 5.518 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247847177 572246251 /nfs/dbraw/zinc/24/62/51/572246251.db2.gz HJMDVTOCDGYVQQ-JOCHJYFZSA-N 1 1 626.521 6.368 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247859654 572246551 /nfs/dbraw/zinc/24/65/51/572246551.db2.gz MDORLIAZVNIAEA-QHCPKHFHSA-N 1 1 596.990 6.606 50 0 KKAAMO Cc1cccc(C)c1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)CC1 ZINC000247857616 572246556 /nfs/dbraw/zinc/24/65/56/572246556.db2.gz DNSRONZYSXNCCQ-HHHXNRCGSA-N 1 1 556.154 5.916 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c(C)c1 ZINC000247865090 572246824 /nfs/dbraw/zinc/24/68/24/572246824.db2.gz IHHFWVCVXULHBX-MHZLTWQESA-N 1 1 556.154 5.916 50 0 KKAAMO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1 ZINC000247868731 572247055 /nfs/dbraw/zinc/24/70/55/572247055.db2.gz KFTKQTUFVJDYIC-VWLOTQADSA-N 1 1 586.578 5.966 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247868228 572247191 /nfs/dbraw/zinc/24/71/91/572247191.db2.gz PKTRJOLLZZPEQT-UHFFFAOYSA-N 1 1 533.598 5.004 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2cccc(Cl)c2Cl)CC1 ZINC000247868527 572247231 /nfs/dbraw/zinc/24/72/31/572247231.db2.gz PTIBIMXEMKNYEZ-HSZRJFAPSA-N 1 1 596.990 6.606 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247873947 572247388 /nfs/dbraw/zinc/24/73/88/572247388.db2.gz SBSZTYYFJPPFNB-UHFFFAOYSA-N 1 1 626.521 6.368 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000247873207 572247421 /nfs/dbraw/zinc/24/74/21/572247421.db2.gz RUSNWBKXAORXGO-JOCHJYFZSA-N 1 1 576.514 5.488 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5cc(Cl)ccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247874520 572247521 /nfs/dbraw/zinc/24/75/21/572247521.db2.gz GMGMJUPYEJPEDF-XMMPIXPASA-N 1 1 592.571 5.961 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247874540 572247597 /nfs/dbraw/zinc/24/75/97/572247597.db2.gz SKAMYPCUDVRBKN-PMERELPUSA-N 1 1 648.649 6.934 50 0 KKAAMO Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)c1 ZINC000247881011 572247777 /nfs/dbraw/zinc/24/77/77/572247777.db2.gz RDFDXHVNHQLXEE-RUZDIDTESA-N 1 1 586.578 5.966 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N(C1CCCCC1)C1CCCCC1 ZINC000247878904 572248019 /nfs/dbraw/zinc/24/80/19/572248019.db2.gz UWZPXCWSRFUQAQ-UHFFFAOYSA-N 1 1 577.611 7.494 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247886278 572248321 /nfs/dbraw/zinc/24/83/21/572248321.db2.gz XEODKSKSGLSJND-JOCHJYFZSA-N 1 1 592.969 6.002 50 0 KKAAMO Cc1cccc(C)c1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247885027 572248442 /nfs/dbraw/zinc/24/84/42/572248442.db2.gz SRUNXSHMUHYJHG-VWLOTQADSA-N 1 1 586.578 5.966 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247893600 572248690 /nfs/dbraw/zinc/24/86/90/572248690.db2.gz ZCMYVMHDUVYSCO-JGCGQSQUSA-N 1 1 618.225 6.884 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)c(C)c1 ZINC000247895528 572248748 /nfs/dbraw/zinc/24/87/48/572248748.db2.gz XGSWPXZTRYBFCW-VWLOTQADSA-N 1 1 525.672 5.342 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)c(Cl)c4)C3)nc3ccccc32)cc1 ZINC000247918283 572249616 /nfs/dbraw/zinc/24/96/16/572249616.db2.gz XBFHCVVMGIAONB-HXUWFJFHSA-N 1 1 523.464 6.251 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(Cl)c(Cl)c4)C3)nc3ccccc32)cc1 ZINC000247918283 572249618 /nfs/dbraw/zinc/24/96/18/572249618.db2.gz XBFHCVVMGIAONB-HXUWFJFHSA-N 1 1 523.464 6.251 50 0 KKAAMO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000247943120 572250246 /nfs/dbraw/zinc/25/02/46/572250246.db2.gz QGYWONWDAAPKIZ-UHFFFAOYSA-N 1 1 594.518 5.668 50 0 KKAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955211 572250692 /nfs/dbraw/zinc/25/06/92/572250692.db2.gz VEGXQLXXALXIEM-QFIPXVFZSA-N 1 1 594.518 5.668 50 0 KKAAMO Cc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247977988 572251134 /nfs/dbraw/zinc/25/11/34/572251134.db2.gz DSBGSLZZFXMPGG-FQEVSTJZSA-N 1 1 503.444 5.947 50 0 KKAAMO CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1ccc(Cl)cc1N1CC[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000247997860 572251621 /nfs/dbraw/zinc/25/16/21/572251621.db2.gz DMBVCXJRXPFFAC-XCZPVHLTSA-N 1 1 505.449 5.649 50 0 KKAAMO CCCCN(CCC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248025745 572252604 /nfs/dbraw/zinc/25/26/04/572252604.db2.gz WBYNSQPNMALRTQ-OAQYLSRUSA-N 1 1 511.508 6.039 50 0 KKAAMO Cc1ccc(-c2nc3cc(C(=O)N4CCC([C@@H](C)C(=O)NCC[N@H+]5CCCC[C@H]5C)CC4)ccc3o2)cc1 ZINC000248089781 572253390 /nfs/dbraw/zinc/25/33/90/572253390.db2.gz MHDRXGOVDKXBQJ-DHIUTWEWSA-N 1 1 516.686 5.282 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2C(F)(F)F)C[C@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000248100863 572253541 /nfs/dbraw/zinc/25/35/41/572253541.db2.gz PBHKFLMPTSNKMG-FIBWVYCGSA-N 1 1 534.666 7.705 50 0 KKAAMO Cc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248108428 572253745 /nfs/dbraw/zinc/25/37/45/572253745.db2.gz MNFCGMDFUWCTHJ-DEOSSOPVSA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(F)cc4)CC3)CC2)c1C ZINC000248139224 572255095 /nfs/dbraw/zinc/25/50/95/572255095.db2.gz DYAONAMEMWBUKW-UHFFFAOYSA-N 1 1 525.672 5.342 50 0 KKAAMO Cc1ccccc1CNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248152181 572255759 /nfs/dbraw/zinc/25/57/59/572255759.db2.gz KHVUPPGFGWXEDT-QFIPXVFZSA-N 1 1 517.471 5.625 50 0 KKAAMO Cc1cccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)c1C ZINC000248160185 572255985 /nfs/dbraw/zinc/25/59/85/572255985.db2.gz ODJQVBCFNBETAD-RUZDIDTESA-N 1 1 586.578 5.966 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccccc2F)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248209122 572256610 /nfs/dbraw/zinc/25/66/10/572256610.db2.gz CKYFFCMWEQOLFE-SQHAQQRYSA-N 1 1 530.581 6.998 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccsc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248210356 572256667 /nfs/dbraw/zinc/25/66/67/572256667.db2.gz CWSPZNYWOHJHMV-BVAGGSTKSA-N 1 1 518.620 6.920 50 0 KKAAMO COc1cccc([C@@H]2C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000248227087 572256746 /nfs/dbraw/zinc/25/67/46/572256746.db2.gz JOXAZIBYPQVCCB-IGKIAQTJSA-N 1 1 510.600 6.127 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248245130 572256989 /nfs/dbraw/zinc/25/69/89/572256989.db2.gz QDWKNZACXBCBPP-LSYYVWMOSA-N 1 1 562.598 7.738 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000248249755 572257111 /nfs/dbraw/zinc/25/71/11/572257111.db2.gz RVTLWFPADAOMIX-NAKRPHOHSA-N 1 1 562.598 7.738 50 0 KKAAMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)c1ccccc1 ZINC000248262272 572257436 /nfs/dbraw/zinc/25/74/36/572257436.db2.gz RCSJLSWMZMUQPD-IFMALSPDSA-N 1 1 517.471 5.877 50 0 KKAAMO CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)C(C)(C)C)[N@@H+]3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248265341 572257525 /nfs/dbraw/zinc/25/75/25/572257525.db2.gz OBBAHLDVTGAGMQ-OOFOQYOKSA-N 1 1 532.684 6.599 50 0 KKAAMO CC(C)Cc1ccc(C(O)=C2[C@H](C(=O)C(C)(C)C)[N@H+]3C=Cc4ccccc4[C@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248265341 572257526 /nfs/dbraw/zinc/25/75/26/572257526.db2.gz OBBAHLDVTGAGMQ-OOFOQYOKSA-N 1 1 532.684 6.599 50 0 KKAAMO CCCCN(CCCC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248270723 572257622 /nfs/dbraw/zinc/25/76/22/572257622.db2.gz ZJQPMHDIWJAZIW-JOCHJYFZSA-N 1 1 525.535 6.429 50 0 KKAAMO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)c1ccccc1 ZINC000248274428 572257717 /nfs/dbraw/zinc/25/77/17/572257717.db2.gz XQGNBFUTMDLDSY-IFMALSPDSA-N 1 1 517.471 5.877 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248327584 572258022 /nfs/dbraw/zinc/25/80/22/572258022.db2.gz AHFNMMAQBICXPE-NWDGNEFISA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000248327584 572258024 /nfs/dbraw/zinc/25/80/24/572258024.db2.gz AHFNMMAQBICXPE-NWDGNEFISA-N 1 1 556.062 5.452 50 0 KKAAMO CCc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000251979315 572259778 /nfs/dbraw/zinc/25/97/78/572259778.db2.gz FKUUBVMKHXGVTQ-OAQYLSRUSA-N 1 1 517.471 6.201 50 0 KKAAMO CCc1ccccc1N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(F)cc3)CC2)CC1 ZINC000251989166 572259793 /nfs/dbraw/zinc/25/97/93/572259793.db2.gz ILJDOWPBRFXVKP-UHFFFAOYSA-N 1 1 525.672 5.288 50 0 KKAAMO CCCc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)cc1 ZINC000252311166 572260007 /nfs/dbraw/zinc/26/00/07/572260007.db2.gz SJVDJCBPANQCMB-UHFFFAOYSA-N 1 1 531.498 6.591 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000252587103 572265904 /nfs/dbraw/zinc/26/59/04/572265904.db2.gz VPZSVEGKGKSXKT-VWNYFCMGSA-N 1 1 604.836 5.105 50 0 KKAAMO COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(CCCCCC(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000253414821 572289056 /nfs/dbraw/zinc/28/90/56/572289056.db2.gz YSHZWGBIDMJDRG-SWWRHANQSA-N 1 1 588.749 5.102 50 0 KKAAMO CC(C)c1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2)cc1 ZINC000253607422 572300886 /nfs/dbraw/zinc/30/08/86/572300886.db2.gz RIZIZZAJISOJKG-UHFFFAOYSA-N 1 1 501.074 6.712 50 0 KKAAMO CC(C)c1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000253607190 572300897 /nfs/dbraw/zinc/30/08/97/572300897.db2.gz APNQHROHZBDXOL-SANMLTNESA-N 1 1 539.699 5.849 50 0 KKAAMO CC(C)c1ccccc1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000253607535 572301029 /nfs/dbraw/zinc/30/10/29/572301029.db2.gz IBAPXSMXRSAOHU-OAQYLSRUSA-N 1 1 531.498 6.762 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000253616779 572301494 /nfs/dbraw/zinc/30/14/94/572301494.db2.gz DOJBBNACGFYIFK-XMMPIXPASA-N 1 1 516.705 6.871 50 0 KKAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1c(C)c2cc3c(cc2oc1=O)occ3-c1ccccc1 ZINC000409413723 1069809748 /nfs/dbraw/zinc/80/97/48/1069809748.db2.gz KUNAGVVYJHKVLW-PWUYWRBVSA-N 1 1 542.676 5.797 50 0 KKAAMO COCCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000524730853 1069833742 /nfs/dbraw/zinc/83/37/42/1069833742.db2.gz ZMASOYVUSKEAGT-UBBNAMOXSA-N 1 1 720.952 5.965 50 0 KKAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@H]1CCCCN1C(=O)c1sccc1C ZINC000102499869 1069859744 /nfs/dbraw/zinc/85/97/44/1069859744.db2.gz GKYXAMMOPSSNBK-HHHXNRCGSA-N 1 1 551.728 5.990 50 0 KKAAMO CC[n+]1c(C=C2C=C3C=C(N4CCOCCOCCOCCOCC4)CC[C@@H]3CC2)sc2ccccc21 ZINC000685944691 1070945650 /nfs/dbraw/zinc/94/56/50/1070945650.db2.gz SFVWBCYLDFUMHJ-VWLOTQADSA-N 1 1 525.735 5.050 50 0 KKAAMO O=C(/C(=C\c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000102939140 1070977250 /nfs/dbraw/zinc/97/72/50/1070977250.db2.gz HOPABJQSOVRYDN-DKJXEYTPSA-N 1 1 552.693 7.967 50 0 KKAAMO Cc1cc(C)cc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](Cc3c[nH]c4ccccc34)C2)c1 ZINC000103937851 1071046944 /nfs/dbraw/zinc/04/69/44/1071046944.db2.gz OEKBIVDGJORPRW-WUFINQPMSA-N 1 1 534.704 5.667 50 0 KKAAMO Cc1cc(N2CC[NH+](C/C=C\c3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 ZINC000102970636 1071058077 /nfs/dbraw/zinc/05/80/77/1071058077.db2.gz WNXIBYUKLVEINZ-YVMONPNESA-N 1 1 511.979 6.212 50 0 KKAAMO O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)oc(=S)n2CN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000102991642 1071080726 /nfs/dbraw/zinc/08/07/26/1071080726.db2.gz VZLLQWBNTXNCIH-TWGQIWQCSA-N 1 1 555.125 5.706 50 0 KKAAMO O=C(NCCc1c[nH]c2ccccc12)[C@@H]1C[C@H](COc2cccc(C(F)(F)F)c2)C[N@H+](CCc2ccccc2)C1 ZINC000199308407 1071136317 /nfs/dbraw/zinc/13/63/17/1071136317.db2.gz DLWPZGUCXZQXLX-AZGAKELHSA-N 1 1 549.637 6.105 50 0 KKAAMO CN1c2ccccc2C(C)(C)/C1=C1/C=NN(c2ccccc2)[P@]1(=Nc1cccc2ccccc21)N1CC[NH+](C)CC1 ZINC000097984498 1071163465 /nfs/dbraw/zinc/16/34/65/1071163465.db2.gz RKVZFDKPIUUHSG-MYVOONKLSA-N 1 1 560.686 7.895 50 0 KKAAMO COc1cc(/C=C\C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc(S(=O)(=O)[N-]c2ccccc2C[NH+](C)C2CCCCC2)c1OC ZINC000150604768 1071174840 /nfs/dbraw/zinc/17/48/40/1071174840.db2.gz QYZYVFHHHAUMJI-VHXPQNKSSA-N 1 1 688.935 7.686 50 0 KKAAMO COc1cc(/C=C\C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)cc(S(=O)(=O)[N-]c2ccccc2C[N@H+](C)C2CCCCC2)c1OC ZINC000150604768 1071174844 /nfs/dbraw/zinc/17/48/44/1071174844.db2.gz QYZYVFHHHAUMJI-VHXPQNKSSA-N 1 1 688.935 7.686 50 0 KKAAMO COc1cc(/C=C\C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)cc(S(=O)(=O)[N-]c2ccccc2C[N@@H+](C)C2CCCCC2)c1OC ZINC000150604768 1071174851 /nfs/dbraw/zinc/17/48/51/1071174851.db2.gz QYZYVFHHHAUMJI-VHXPQNKSSA-N 1 1 688.935 7.686 50 0 KKAAMO CCOC(=O)N1CCC([N@H+]2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@@H]3CCOC3)C2)CC1 ZINC000012282833 1071223799 /nfs/dbraw/zinc/22/37/99/1071223799.db2.gz SHLNAEADAZMPGD-HSZRJFAPSA-N 1 1 522.667 5.551 50 0 KKAAMO Cc1cccc(C[N@H+]2C[C@H](Sc3nc4ccccc4[nH]3)C[C@H]2C(=O)N2CCN(c3ccccc3F)CC2)c1 ZINC000011784957 1071231338 /nfs/dbraw/zinc/23/13/38/1071231338.db2.gz AOKMJYKGILTQHD-LXFBAYGMSA-N 1 1 529.685 5.094 50 0 KKAAMO C[N@@H+](Cc1cccc(OC2CCN(S(=O)(=O)c3ccccc3)CC2)c1)Cc1cccc2ccccc21 ZINC000012218670 1071239168 /nfs/dbraw/zinc/23/91/68/1071239168.db2.gz CXFJZFOZZZHUAP-UHFFFAOYSA-N 1 1 500.664 5.704 50 0 KKAAMO Cc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc4c(c3)CCC4)C[N@@H+](Cc3c[nH]c4ccccc34)C2)cc1 ZINC000200519595 1071290749 /nfs/dbraw/zinc/29/07/49/1071290749.db2.gz RSMOOUBASXXDOH-RRPNLBNLSA-N 1 1 520.677 5.358 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1Cl ZINC000254467490 1072856344 /nfs/dbraw/zinc/85/63/44/1072856344.db2.gz OUIDUBQSXTWXSC-UHFFFAOYSA-N 1 1 686.064 6.296 50 0 KKAAMO CC(C)(C)c1ccc(C=c2sc(=C(C#N)C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n(-c3ccccc3F)c2=O)cc1 ZINC000254635443 1072869414 /nfs/dbraw/zinc/86/94/14/1072869414.db2.gz ZKHZYUBHEBYAEL-UHFFFAOYSA-N 1 1 656.827 5.772 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2ccccc2Cl)c(=O)n1-c1ccccc1C(F)(F)F ZINC000254744568 1072875039 /nfs/dbraw/zinc/87/50/39/1072875039.db2.gz YLNUGIQTQSVVDV-UHFFFAOYSA-N 1 1 685.171 6.008 50 0 KKAAMO O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@H](C(=O)NCc2cccs2)C[N@H+](Cc2ccc3ccccc3c2)C1 ZINC000014753016 1072892146 /nfs/dbraw/zinc/89/21/46/1072892146.db2.gz QCXQKWNIFVQTQU-WUFINQPMSA-N 1 1 523.702 5.783 50 0 KKAAMO Cc1ccc(C[N@H+]2C[C@@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)N(C)Cc2cc3ccccc3s2)s1 ZINC000014882634 1072892995 /nfs/dbraw/zinc/89/29/95/1072892995.db2.gz MKEKRDDYFBZPHK-ZEQRLZLVSA-N 1 1 522.765 6.072 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@@H](Sc3nc(C)cc(C)n3)C[C@H]2C(=O)N(C)Cc2cc3ccccc3s2)s1 ZINC000014882634 1072893010 /nfs/dbraw/zinc/89/30/10/1072893010.db2.gz MKEKRDDYFBZPHK-ZEQRLZLVSA-N 1 1 522.765 6.072 50 0 KKAAMO C[N@@H+](Cc1cccc(OCC[C@H]2CCCCN2C(=O)c2cnsn2)c1)Cc1cccc2cccnc21 ZINC000014960968 1072893667 /nfs/dbraw/zinc/89/36/67/1072893667.db2.gz WUZCDWPOSKNROZ-XMMPIXPASA-N 1 1 501.656 5.182 50 0 KKAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@H]1CCCCN1C(=O)c1ccco1 ZINC000014981468 1072894457 /nfs/dbraw/zinc/89/44/57/1072894457.db2.gz HVDIMWOQYSFOLH-AREMUKBSSA-N 1 1 521.633 5.213 50 0 KKAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OCC[C@H]1CCCCN1C(=O)c1cccnc1 ZINC000014994691 1072895268 /nfs/dbraw/zinc/89/52/68/1072895268.db2.gz VWYQLENPFRIVBV-MUUNZHRXSA-N 1 1 532.660 5.015 50 0 KKAAMO Cc1[nH]c2c(cccc2C(=O)N2CCC(Oc3cccc(C[NH+]4CCN(Cc5cccnc5)CC4)c3)CC2)c1C ZINC000019742093 1072897385 /nfs/dbraw/zinc/89/73/85/1072897385.db2.gz GNIHVJQWFHUYHF-UHFFFAOYSA-N 1 1 537.708 5.181 50 0 KKAAMO O=C(Cc1cccs1)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000055109159 1072899351 /nfs/dbraw/zinc/89/93/51/1072899351.db2.gz FCSJFINNYPZBKL-DEOSSOPVSA-N 1 1 507.675 5.070 50 0 KKAAMO Cc1ccc(C(=O)N2CCC[C@@H](COc3cccc(C[NH+]4CCN(c5ccccc5F)CC4)c3)C2)cc1 ZINC000055153424 1072899965 /nfs/dbraw/zinc/89/99/65/1072899965.db2.gz MRFLKEFNTKTSJK-AREMUKBSSA-N 1 1 501.646 5.388 50 0 KKAAMO O=C(c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001215024 551626502 /nfs/dbraw/zinc/62/65/02/551626502.db2.gz VHYZIYRPIIBARD-JTHBVZDNSA-N 1 1 586.083 6.806 50 0 KKAAMO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001287888 551637029 /nfs/dbraw/zinc/63/70/29/551637029.db2.gz KDFZQUKJCOGDTK-AHKZPQOWSA-N 1 1 580.054 6.744 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2Cl)cc1 ZINC000002061188 551742705 /nfs/dbraw/zinc/74/27/05/551742705.db2.gz OKPSOGXYILIUFU-RPWUZVMVSA-N 1 1 511.796 6.460 50 0 KKAAMO COc1ccc(Br)cc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1ccc(F)cc1)N1NC=NC1=[NH+]2 ZINC000002249016 551800843 /nfs/dbraw/zinc/80/08/43/551800843.db2.gz JCJHJIOCEZEFKB-DNQXCXABSA-N 1 1 505.347 5.401 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccs2)cc1 ZINC000002554434 552129572 /nfs/dbraw/zinc/12/95/72/552129572.db2.gz BLUDEHFCXAXXEX-SSEXGKCCSA-N 1 1 557.727 7.884 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccccc2)cc1 ZINC000002588210 552131624 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6.204 50 0 KKAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)/C(=C/c1ccccc1)S2 ZINC000020737665 553694686 /nfs/dbraw/zinc/69/46/86/553694686.db2.gz KWPZNKJRBDWMGN-XBKLCXBFSA-N 1 1 511.691 5.889 50 0 KKAAMO Clc1ccccc1C1=NCc2nnc(N3CC[NH+](CCOc4ccccc4)CC3)n2-c2sc(Br)cc21 ZINC000095870368 553714377 /nfs/dbraw/zinc/71/43/77/553714377.db2.gz VGCWVAFXSKKQML-UHFFFAOYSA-N 1 1 583.943 5.297 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccccc3)CC2)cc1 ZINC000021796570 553717039 /nfs/dbraw/zinc/71/70/39/553717039.db2.gz WQSQWHOBQPCGME-UHFFFAOYSA-N 1 1 503.606 5.449 50 0 KKAAMO O=C(c1ccc(F)cc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC1 ZINC000021796397 553717094 /nfs/dbraw/zinc/71/70/94/553717094.db2.gz IYAFBOBSDDZVKG-UHFFFAOYSA-N 1 1 511.988 5.842 50 0 KKAAMO CCOc1ccc(C(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)cc1 ZINC000021796497 553717100 /nfs/dbraw/zinc/71/71/00/553717100.db2.gz QYLFCWMTFAMAIR-UHFFFAOYSA-N 1 1 521.596 5.588 50 0 KKAAMO Cc1ccccc1-n1cc(-c2ccccc2)c2c1nc[nH+]c2N1CCN(C(=O)COc2ccccc2)CC1 ZINC000021796649 553717320 /nfs/dbraw/zinc/71/73/20/553717320.db2.gz IYLRQICKTTWITN-UHFFFAOYSA-N 1 1 503.606 5.124 50 0 KKAAMO COc1ccccc1C(=O)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccccc2C)CC1 ZINC000021796625 553717368 /nfs/dbraw/zinc/71/73/68/553717368.db2.gz BQBRNBKHHYNEIH-UHFFFAOYSA-N 1 1 503.606 5.367 50 0 KKAAMO CCSc1ccccc1N1CC[NH+](CCCN2C(=O)CC(c3ccccc3)(c3ccccc3)C2=O)CC1 ZINC000096027647 553723668 /nfs/dbraw/zinc/72/36/68/553723668.db2.gz HBLLTNJWFUSKHA-UHFFFAOYSA-N 1 1 513.707 5.056 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc(Cl)cc32)c2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000096278250 553734558 /nfs/dbraw/zinc/73/45/58/553734558.db2.gz CVRBHPBFUILWFP-RUZDIDTESA-N 1 1 522.476 6.953 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2cccc(Oc3ccc(Cl)cc3)c2)CC1 ZINC000096278249 553734575 /nfs/dbraw/zinc/73/45/75/553734575.db2.gz CVRBHPBFUILWFP-VWLOTQADSA-N 1 1 522.476 6.953 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc(Cl)cc32)c2ccc(OCc3ccccc3)cc2)CC1 ZINC000096278181 553734625 /nfs/dbraw/zinc/73/46/25/553734625.db2.gz BLMYFABESQQRRZ-SANMLTNESA-N 1 1 502.058 6.086 50 0 KKAAMO Clc1ccc(-c2cc3ccccc3n2CCCN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000022454859 553742590 /nfs/dbraw/zinc/74/25/90/553742590.db2.gz VHNBIDMLRRINJR-UHFFFAOYSA-N 1 1 520.120 7.759 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3cccs3)n2-c2ccc(OC)cc2)CC1 ZINC000096291007 553744529 /nfs/dbraw/zinc/74/45/29/553744529.db2.gz MHNPAPAXGAMQEP-UHFFFAOYSA-N 1 1 519.696 5.074 50 0 KKAAMO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)c(=O)oc12 ZINC000096343545 553752619 /nfs/dbraw/zinc/75/26/19/553752619.db2.gz JWHCSLSSRVHCLF-JIPXPUAJSA-N 1 1 533.068 6.400 50 0 KKAAMO O[C@@H](Cn1c2ccccc2c2ccccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccccc3c3cc(Br)ccc32)CC1 ZINC000022873391 553766189 /nfs/dbraw/zinc/76/61/89/553766189.db2.gz VHVJBTKSEFANSC-FTJBHMTQSA-N 1 1 611.584 5.705 50 0 KKAAMO CCN1CC[NH+](CCCNC(=O)c2ccc(/C=C3/Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1 ZINC000022947466 553768406 /nfs/dbraw/zinc/76/84/06/553768406.db2.gz FFVKOMHSNKRTBY-JBASAIQMSA-N 1 1 558.723 5.263 50 0 KKAAMO Cc1ccc(NC(=O)N2CC[NH+](CCCOC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc1 ZINC000023336092 553774102 /nfs/dbraw/zinc/77/41/02/553774102.db2.gz BSVCWIMJXYRGPM-UHFFFAOYSA-N 1 1 512.481 6.648 50 0 KKAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cc(Br)ccc3n2)cc1C ZINC000097948651 553795512 /nfs/dbraw/zinc/79/55/12/553795512.db2.gz PCBAJGOPPBBDDL-UHFFFAOYSA-N 1 1 590.565 7.829 50 0 KKAAMO COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c(Cl)c3N2)cc1OC ZINC000097949076 553799039 /nfs/dbraw/zinc/79/90/39/553799039.db2.gz OXCBLIRISASFDZ-SQHAQQRYSA-N 1 1 640.106 6.761 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000097956257 553837271 /nfs/dbraw/zinc/83/72/71/553837271.db2.gz FDBJOTRTGIYKHF-MCZNPFQCSA-N 1 1 534.015 5.508 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000097956257 553837273 /nfs/dbraw/zinc/83/72/73/553837273.db2.gz FDBJOTRTGIYKHF-MCZNPFQCSA-N 1 1 534.015 5.508 50 0 KKAAMO C[C@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4cccc(Cl)c4)C3=O)cc2)CC1 ZINC000097956320 553837748 /nfs/dbraw/zinc/83/77/48/553837748.db2.gz ZWKNMFIHDNAPRQ-OSWZSTQVSA-N 1 1 546.092 6.096 50 0 KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000028116057 553837840 /nfs/dbraw/zinc/83/78/40/553837840.db2.gz WVTKBKWTSCPRNU-KYJUHHDHSA-N 1 1 622.762 7.162 50 0 endogenous,in-man KKAAMO COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N@H+]1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3 ZINC000028116057 553837844 /nfs/dbraw/zinc/83/78/44/553837844.db2.gz WVTKBKWTSCPRNU-KYJUHHDHSA-N 1 1 622.762 7.162 50 0 endogenous,in-man KKAAMO CCc1cc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc(SCc2ccc(C(=O)NCc3ccccn3)o2)n1 ZINC000097956432 553838782 /nfs/dbraw/zinc/83/87/82/553838782.db2.gz XKNJACBDMAVIKT-DHZHZOJOSA-N 1 1 554.720 5.085 50 0 KKAAMO Cc1nc(SCc2cccc(C(=O)NCc3cccnc3)c2)nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000097956412 553838807 /nfs/dbraw/zinc/83/88/07/553838807.db2.gz CRPGGXYSESLPQQ-MDWZMJQESA-N 1 1 564.759 5.546 50 0 KKAAMO O=C(c1cnn2c1N[C@H](c1ccc3c(c1)OCO3)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000029747415 553847289 /nfs/dbraw/zinc/84/72/89/553847289.db2.gz LNOTWWQOXHXPJH-LSYYVWMOSA-N 1 1 589.618 5.820 50 0 KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@H+](C)CC2)N(C)CC4 ZINC000030726947 553855440 /nfs/dbraw/zinc/85/54/40/553855440.db2.gz HGNHIFJNOKGSKI-WDYNHAJCSA-N 1 1 608.735 6.859 50 0 endogenous,in-man KKAAMO COc1cc2c3cc1Oc1c(OC)c(OC)cc4c1[C@H](Cc1ccc(cc1)Oc1cc(ccc1O)C[C@H]3[N@@H+](C)CC2)N(C)CC4 ZINC000030726947 553855444 /nfs/dbraw/zinc/85/54/44/553855444.db2.gz HGNHIFJNOKGSKI-WDYNHAJCSA-N 1 1 608.735 6.859 50 0 endogenous,in-man KKAAMO Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097960066 553868052 /nfs/dbraw/zinc/86/80/52/553868052.db2.gz VPGZKYHXTRRFCE-UHFFFAOYSA-N 1 1 532.087 7.411 50 0 KKAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](C)C3)cc1 ZINC000097963379 553889343 /nfs/dbraw/zinc/88/93/43/553889343.db2.gz KJNFNJWJEANPIS-UHFFFAOYSA-N 1 1 554.763 5.686 50 0 KKAAMO CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](C)C3)cc1 ZINC000097963379 553889345 /nfs/dbraw/zinc/88/93/45/553889345.db2.gz KJNFNJWJEANPIS-UHFFFAOYSA-N 1 1 554.763 5.686 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963410 553889693 /nfs/dbraw/zinc/88/96/93/553889693.db2.gz TZDKCBCBAGRRKY-IBGZPJMESA-N 1 1 580.801 6.076 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963410 553889697 /nfs/dbraw/zinc/88/96/97/553889697.db2.gz TZDKCBCBAGRRKY-IBGZPJMESA-N 1 1 580.801 6.076 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963415 553889817 /nfs/dbraw/zinc/88/98/17/553889817.db2.gz SLMHQMBRNOCHGY-UHFFFAOYSA-N 1 1 614.818 6.402 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963415 553889819 /nfs/dbraw/zinc/88/98/19/553889819.db2.gz SLMHQMBRNOCHGY-UHFFFAOYSA-N 1 1 614.818 6.402 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963431 553889989 /nfs/dbraw/zinc/88/99/89/553889989.db2.gz INBUEUSYEPYDCJ-FQEVSTJZSA-N 1 1 594.828 6.464 50 0 KKAAMO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)cc1 ZINC000097963499 553891071 /nfs/dbraw/zinc/89/10/71/553891071.db2.gz LNPRRTTVYSMQKA-UHFFFAOYSA-N 1 1 676.886 6.119 50 0 KKAAMO COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)cc1 ZINC000097963499 553891076 /nfs/dbraw/zinc/89/10/76/553891076.db2.gz LNPRRTTVYSMQKA-UHFFFAOYSA-N 1 1 676.886 6.119 50 0 KKAAMO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@@H+](Cc3ccccc3)C4)cc2)CC1 ZINC000097963496 553891155 /nfs/dbraw/zinc/89/11/55/553891155.db2.gz QVFRVNMCWAMBKL-UHFFFAOYSA-N 1 1 701.896 6.298 50 0 KKAAMO CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3-c3nc5ccccc5s3)CC[N@H+](Cc3ccccc3)C4)cc2)CC1 ZINC000097963496 553891156 /nfs/dbraw/zinc/89/11/56/553891156.db2.gz QVFRVNMCWAMBKL-UHFFFAOYSA-N 1 1 701.896 6.298 50 0 KKAAMO COc1ccc(C=CC(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](Cc3ccccc3)C5)cc2)cc1 ZINC000097964031 553895908 /nfs/dbraw/zinc/89/59/08/553895908.db2.gz ZWKGREMUMUCLQZ-NYCXUSNDSA-N 1 1 551.668 6.363 50 0 KKAAMO COc1ccc(C=CC(=O)Oc2ccc([C@@H]3Nc4sc5c(c4C(=O)N3)CC[N@H+](Cc3ccccc3)C5)cc2)cc1 ZINC000097964031 553895909 /nfs/dbraw/zinc/89/59/09/553895909.db2.gz ZWKGREMUMUCLQZ-NYCXUSNDSA-N 1 1 551.668 6.363 50 0 KKAAMO C[NH+]1CCN(CC(=O)N2N=C(c3c(=O)[nH]c4ccc(Br)cc4c3-c3ccccc3)C[C@@H]2c2ccc(Br)cc2)CC1 ZINC000033353003 553922611 /nfs/dbraw/zinc/92/26/11/553922611.db2.gz DYUQDLLUBTXFML-HHHXNRCGSA-N 1 1 663.414 5.645 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccccc1Br)C3=O ZINC000033355704 553936317 /nfs/dbraw/zinc/93/63/17/553936317.db2.gz LKQVHROZTSZOMJ-ITOWZWGRSA-N 1 1 595.582 5.311 50 0 KKAAMO Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)cc3N2)cc1 ZINC000033358600 553957162 /nfs/dbraw/zinc/95/71/62/553957162.db2.gz SZQXHLKSXDMJKW-IXCJQBJRSA-N 1 1 559.636 6.399 50 0 KKAAMO O=[S@](c1ccc(Br)cc1)C1=CC[N@@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000097973093 553968243 /nfs/dbraw/zinc/96/82/43/553968243.db2.gz VZJRWPXCSPXDLK-XIFFEERXSA-N 1 1 530.478 7.037 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@@H+]21 ZINC000034377802 553981534 /nfs/dbraw/zinc/98/15/34/553981534.db2.gz LAYVABPTMMISSK-PUHABZHSSA-N 1 1 519.988 5.647 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=C[N@H+]21 ZINC000034377802 553981538 /nfs/dbraw/zinc/98/15/38/553981538.db2.gz LAYVABPTMMISSK-PUHABZHSSA-N 1 1 519.988 5.647 50 0 KKAAMO C[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667486 553982131 /nfs/dbraw/zinc/98/21/31/553982131.db2.gz FAHMJBYDRACATA-JPZYQRIQSA-N 1 1 512.600 6.196 50 0 KKAAMO C[C@@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667486 553982127 /nfs/dbraw/zinc/98/21/27/553982127.db2.gz FAHMJBYDRACATA-JPZYQRIQSA-N 1 1 512.600 6.196 50 0 KKAAMO C[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667485 553982266 /nfs/dbraw/zinc/98/22/66/553982266.db2.gz FAHMJBYDRACATA-WKRVVKTRSA-N 1 1 512.600 6.196 50 0 KKAAMO C[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1ccc(F)cc1 ZINC000034667485 553982270 /nfs/dbraw/zinc/98/22/70/553982270.db2.gz FAHMJBYDRACATA-WKRVVKTRSA-N 1 1 512.600 6.196 50 0 KKAAMO CC[C@H](C(=O)Nc1ccc(N2CCC[N@@H+](Cc3cccc(Oc4ccccc4)c3)CC2)nc1)c1ccccc1 ZINC000034681883 553985079 /nfs/dbraw/zinc/98/50/79/553985079.db2.gz BGXIWZFATUKMDG-HKBQPEDESA-N 1 1 520.677 6.719 50 0 KKAAMO COc1ccc(N(C(=O)c2ccc(C)cc2)C2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1 ZINC000034683230 553985550 /nfs/dbraw/zinc/98/55/50/553985550.db2.gz WLPPNEQRVRQOOE-UHFFFAOYSA-N 1 1 504.627 5.341 50 0 KKAAMO COc1ccc(OC)c(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000034683675 553985923 /nfs/dbraw/zinc/98/59/23/553985923.db2.gz PLUABVULQMTDMU-UHFFFAOYSA-N 1 1 519.038 5.356 50 0 KKAAMO COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3cccc(C)c3)CC2)c(OC)c1OC ZINC000034683933 553986306 /nfs/dbraw/zinc/98/63/06/553986306.db2.gz NMRAFZSSJZLAKV-UHFFFAOYSA-N 1 1 528.646 5.020 50 0 KKAAMO O=C(c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@@H+](Cc2ccccc2F)CC3)o1)N1CCOCC1 ZINC000034685564 553987065 /nfs/dbraw/zinc/98/70/65/553987065.db2.gz LRNYSUWQHILJGX-HKBQPEDESA-N 1 1 526.608 5.618 50 0 KKAAMO O=C(c1ccc(COc2ccc3c(c2)[C@H](c2ccccc2)[N@H+](Cc2ccccc2F)CC3)o1)N1CCOCC1 ZINC000034685564 553987063 /nfs/dbraw/zinc/98/70/63/553987063.db2.gz LRNYSUWQHILJGX-HKBQPEDESA-N 1 1 526.608 5.618 50 0 KKAAMO COc1cccc(C[N@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)c1 ZINC000034698845 553991510 /nfs/dbraw/zinc/99/15/10/553991510.db2.gz STXAROWYFGXHNX-ZUKKLESISA-N 1 1 514.685 6.833 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698833 553991590 /nfs/dbraw/zinc/99/15/90/553991590.db2.gz QLKVBXMNISXUHE-VIZCGCQYSA-N 1 1 528.668 6.554 50 0 KKAAMO Cc1cc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)oc1C ZINC000034699131 553991810 /nfs/dbraw/zinc/99/18/10/553991810.db2.gz HTDMDWOPRKQETE-CUBQBAPOSA-N 1 1 530.606 7.068 50 0 KKAAMO COc1cc(/C=C/C(=O)Nc2ccccc2C[N@@H+](C)C2CCCCC2)cc(S(=O)(=O)[N-]c2ccccc2C[NH+](C)C2CCCCC2)c1OC ZINC000097981057 553991891 /nfs/dbraw/zinc/99/18/91/553991891.db2.gz QYZYVFHHHAUMJI-WCWDXBQESA-N 1 1 688.935 7.686 50 0 KKAAMO COc1cc(/C=C/C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)cc(S(=O)(=O)[N-]c2ccccc2C[N@H+](C)C2CCCCC2)c1OC ZINC000097981057 553991897 /nfs/dbraw/zinc/99/18/97/553991897.db2.gz QYZYVFHHHAUMJI-WCWDXBQESA-N 1 1 688.935 7.686 50 0 KKAAMO COc1cc(/C=C/C(=O)Nc2ccccc2C[NH+](C)C2CCCCC2)cc(S(=O)(=O)[N-]c2ccccc2C[N@@H+](C)C2CCCCC2)c1OC ZINC000097981057 553991904 /nfs/dbraw/zinc/99/19/04/553991904.db2.gz QYZYVFHHHAUMJI-WCWDXBQESA-N 1 1 688.935 7.686 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699123 553992004 /nfs/dbraw/zinc/99/20/04/553992004.db2.gz CWSPZNYWOHJHMV-ZEQKJWHPSA-N 1 1 518.620 6.920 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccn2C)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000034699121 553991987 /nfs/dbraw/zinc/99/19/87/553991987.db2.gz XFOAKDYXTUUMFD-YIXXDRMTSA-N 1 1 515.595 6.197 50 0 KKAAMO COc1cc(C[N@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C3CCCCC3)[C@@H](c3ccccc3C)C2)ccc1O ZINC000034698853 553992039 /nfs/dbraw/zinc/99/20/39/553992039.db2.gz SCGLQMVMNRDULQ-VIZCGCQYSA-N 1 1 530.684 6.539 50 0 KKAAMO COc1ccccc1C[N@H+]1C[C@@H](CN(C(=O)c2ccc(F)cc2)C(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034699146 553992471 /nfs/dbraw/zinc/99/24/71/553992471.db2.gz WBRNZEMHVSKXTL-RPLLCQBOSA-N 1 1 528.590 6.620 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000034829799 554012997 /nfs/dbraw/zinc/01/29/97/554012997.db2.gz XMMDSCAWMHZESU-HRFSGMKKSA-N 1 1 508.087 5.031 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000034829799 554012994 /nfs/dbraw/zinc/01/29/94/554012994.db2.gz XMMDSCAWMHZESU-HRFSGMKKSA-N 1 1 508.087 5.031 50 0 KKAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000034829936 554013601 /nfs/dbraw/zinc/01/36/01/554013601.db2.gz RMQKOUFLMOVVOQ-BCHFMIIMSA-N 1 1 509.075 5.114 50 0 KKAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000034829936 554013596 /nfs/dbraw/zinc/01/35/96/554013596.db2.gz RMQKOUFLMOVVOQ-BCHFMIIMSA-N 1 1 509.075 5.114 50 0 KKAAMO CCc1ccc(C(=O)N2CCCN(C(=O)[C@@H](C)[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000034830430 554015759 /nfs/dbraw/zinc/01/57/59/554015759.db2.gz TWMAHXODAVPQFG-BTYSJIOQSA-N 1 1 515.723 5.330 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn2c(n1)CC[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000034899134 554023861 /nfs/dbraw/zinc/02/38/61/554023861.db2.gz SXXSYXTZECCWKB-IRXDYDNUSA-N 1 1 516.530 5.645 50 0 KKAAMO CCCCN1C(=O)c2ccccc2[C@H](C(=O)N2CC[NH+](Cc3ccccc3)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000034927643 554032440 /nfs/dbraw/zinc/03/24/40/554032440.db2.gz CLGBAPZXVFQIEW-VMPREFPWSA-N 1 1 516.085 5.765 50 0 KKAAMO O=S(=O)(c1nnn2c1nc(N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)c1cc(Cl)ccc12)c1ccccc1 ZINC000097999314 554042000 /nfs/dbraw/zinc/04/20/00/554042000.db2.gz PPUZEEMTZQQVSJ-UHFFFAOYSA-N 1 1 595.128 5.675 50 0 KKAAMO O=C(c1nn2c(c1Br)N[C@H](c1cccs1)C[C@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097999920 554047211 /nfs/dbraw/zinc/04/72/11/554047211.db2.gz XEFXRWJRZCATNN-GMAHTHKFSA-N 1 1 630.534 6.915 50 0 KKAAMO CC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@@H](C(C)(C)C)C2 ZINC000035415636 554049355 /nfs/dbraw/zinc/04/93/55/554049355.db2.gz DVNVDVJYBUKIHL-WIYYLYMNSA-N 1 1 516.151 7.008 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CC[C@@H](C(C)(C)C)C2 ZINC000035415636 554049358 /nfs/dbraw/zinc/04/93/58/554049358.db2.gz DVNVDVJYBUKIHL-WIYYLYMNSA-N 1 1 516.151 7.008 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NCCc2ccccc2)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427227 554050989 /nfs/dbraw/zinc/05/09/89/554050989.db2.gz FNHGSBMACSMYMR-MHZLTWQESA-N 1 1 517.098 6.037 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NCCc2ccccc2)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427227 554050992 /nfs/dbraw/zinc/05/09/92/554050992.db2.gz FNHGSBMACSMYMR-MHZLTWQESA-N 1 1 517.098 6.037 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(F)ccc2F)CC[N@H+](C)C4)cc1 ZINC000035427178 554051126 /nfs/dbraw/zinc/05/11/26/554051126.db2.gz NAXPANSSDDGJCN-AREMUKBSSA-N 1 1 520.605 5.951 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(F)ccc2F)CC[N@@H+](C)C4)cc1 ZINC000035427178 554051130 /nfs/dbraw/zinc/05/11/30/554051130.db2.gz NAXPANSSDDGJCN-AREMUKBSSA-N 1 1 520.605 5.951 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427223 554051184 /nfs/dbraw/zinc/05/11/84/554051184.db2.gz ABPQNEROVYATDB-VWLOTQADSA-N 1 1 507.034 6.456 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)c2cccn2-3)C1 ZINC000035427223 554051187 /nfs/dbraw/zinc/05/11/87/554051187.db2.gz ABPQNEROVYATDB-VWLOTQADSA-N 1 1 507.034 6.456 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)NCc2ccc(F)cc2)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427280 554051437 /nfs/dbraw/zinc/05/14/37/554051437.db2.gz JOEBBJVMGDUKLW-AREMUKBSSA-N 1 1 504.606 5.620 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)NCc2ccc(F)cc2)[C@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000035427280 554051435 /nfs/dbraw/zinc/05/14/35/554051435.db2.gz JOEBBJVMGDUKLW-AREMUKBSSA-N 1 1 504.606 5.620 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)cc1 ZINC000035427260 554051680 /nfs/dbraw/zinc/05/16/80/554051680.db2.gz UYEHCZMBSUXHOF-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@H+](C)CC4)cc1 ZINC000035427260 554051684 /nfs/dbraw/zinc/05/16/84/554051684.db2.gz UYEHCZMBSUXHOF-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@H+](C)CC4)cc1Cl ZINC000035427374 554052408 /nfs/dbraw/zinc/05/24/08/554052408.db2.gz RAHGFESYCHZKFQ-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccccc2)C[N@@H+](C)CC4)cc1Cl ZINC000035427374 554052410 /nfs/dbraw/zinc/05/24/10/554052410.db2.gz RAHGFESYCHZKFQ-AREMUKBSSA-N 1 1 503.071 6.626 50 0 KKAAMO COc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)C[N@H+](C)CC3 ZINC000035427376 554052420 /nfs/dbraw/zinc/05/24/20/554052420.db2.gz YTPHKQKMVCIBNM-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc(Cl)cc1NC(=O)N1Cc2c3c(sc2-n2cccc2[C@@H]1c1ccccc1)C[N@@H+](C)CC3 ZINC000035427376 554052418 /nfs/dbraw/zinc/05/24/18/554052418.db2.gz YTPHKQKMVCIBNM-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO FC(F)(F)c1ccc2c(c1)N(CCC[NH+]1CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC1)c1ccccc1S2 ZINC000098005059 554056558 /nfs/dbraw/zinc/05/65/58/554056558.db2.gz WXBYZGYRDCNTJC-UHFFFAOYSA-N 1 1 587.136 8.297 50 0 KKAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccco2)c2nc(-c3cccc(Br)c3)nc3ccccc32)CC1 ZINC000098009820 554071318 /nfs/dbraw/zinc/07/13/18/554071318.db2.gz BUVOJAYEHSMMTH-UHFFFAOYSA-N 1 1 548.485 5.213 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000035842589 554080876 /nfs/dbraw/zinc/08/08/76/554080876.db2.gz KMHSFFQWXINQFH-GDLZYMKVSA-N 1 1 535.773 5.781 50 0 KKAAMO CC(C)OC[C@H](O)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C(C)C ZINC000035842640 554081136 /nfs/dbraw/zinc/08/11/36/554081136.db2.gz BPNXIFHZGWCPJN-MUUNZHRXSA-N 1 1 521.746 5.533 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)C(C)C ZINC000035842601 554081184 /nfs/dbraw/zinc/08/11/84/554081184.db2.gz HZKZHBPVVRKOIZ-SSEXGKCCSA-N 1 1 521.746 5.392 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COC(C)C ZINC000035842619 554081218 /nfs/dbraw/zinc/08/12/18/554081218.db2.gz WUYSFEDQZKUSDD-GDLZYMKVSA-N 1 1 535.773 5.925 50 0 KKAAMO O=C(C[N@@H+](Cc1ccc(F)cc1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000035843682 554082338 /nfs/dbraw/zinc/08/23/38/554082338.db2.gz ZWGMTCBHPOZBDJ-UHFFFAOYSA-N 1 1 524.467 6.850 50 0 KKAAMO O=C(C[N@H+](Cc1ccc(F)cc1)C1CC1)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1 ZINC000035843682 554082342 /nfs/dbraw/zinc/08/23/42/554082342.db2.gz ZWGMTCBHPOZBDJ-UHFFFAOYSA-N 1 1 524.467 6.850 50 0 KKAAMO COc1cccc(NC(=O)[C@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCc4ccccc4)C[C@H]23)c1 ZINC000035871976 554086418 /nfs/dbraw/zinc/08/64/18/554086418.db2.gz YAFRJORLWKGUDR-AHKZPQOWSA-N 1 1 509.572 5.258 50 0 KKAAMO Cn1cc([C@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cccc(F)c2)c2ccccc21 ZINC000035891832 554090887 /nfs/dbraw/zinc/09/08/87/554090887.db2.gz ZOSJEHIVIJYEDD-WJOKGBTCSA-N 1 1 531.675 6.773 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc3n2Cc2cccc(C)c2)CC1 ZINC000098020201 554117505 /nfs/dbraw/zinc/11/75/05/554117505.db2.gz SCNIDSWGNWSZBF-UHFFFAOYSA-N 1 1 551.112 5.230 50 0 KKAAMO O=C(C[C@@H](c1c[nH]c2ccccc21)c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098021404 554118650 /nfs/dbraw/zinc/11/86/50/554118650.db2.gz WCVZEUFKRUBVIX-SSEXGKCCSA-N 1 1 534.103 7.277 50 0 KKAAMO COc1ccccc1[C@@H](CC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1cn(C)c2ccccc12 ZINC000098021555 554119479 /nfs/dbraw/zinc/11/94/79/554119479.db2.gz RKZPDCHDPDELCY-WJOKGBTCSA-N 1 1 543.711 6.643 50 0 KKAAMO CCn1cc([C@@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2ccc(C)cc2)c2ccccc21 ZINC000098022948 554120009 /nfs/dbraw/zinc/12/00/09/554120009.db2.gz PGQOWSINZYRMSQ-XIFFEERXSA-N 1 1 541.739 7.425 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(F)cc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000036007039 554131928 /nfs/dbraw/zinc/13/19/28/554131928.db2.gz OQFWWIRRRIUULW-TYZGFQJPSA-N 1 1 525.649 6.584 50 0 KKAAMO COCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(C)cc1 ZINC000036145492 554197690 /nfs/dbraw/zinc/19/76/90/554197690.db2.gz PEKUHDRXMSRTHO-UHFFFAOYSA-N 1 1 501.623 5.538 50 0 KKAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146616 554198193 /nfs/dbraw/zinc/19/81/93/554198193.db2.gz KBGXHVTYYITOHD-NOZRDPDXSA-N 1 1 502.508 5.280 50 0 KKAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CC(c2ccc(F)cc2)=NO1 ZINC000036146616 554198189 /nfs/dbraw/zinc/19/81/89/554198189.db2.gz KBGXHVTYYITOHD-NOZRDPDXSA-N 1 1 502.508 5.280 50 0 KKAAMO COCC[N@@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc2c(c1)OCO2 ZINC000036157337 554198840 /nfs/dbraw/zinc/19/88/40/554198840.db2.gz RQPQJXBAJFKJDP-UHFFFAOYSA-N 1 1 507.533 5.219 50 0 KKAAMO COCC[N@H+](Cc1ccc(C(O)(c2cccc(F)c2)c2cccc(F)c2)o1)Cc1ccc2c(c1)OCO2 ZINC000036157337 554198838 /nfs/dbraw/zinc/19/88/38/554198838.db2.gz RQPQJXBAJFKJDP-UHFFFAOYSA-N 1 1 507.533 5.219 50 0 KKAAMO COc1ccc([C@H]2[NH2+][C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000100065336 554199470 /nfs/dbraw/zinc/19/94/70/554199470.db2.gz ONYKOVWHVPMPEP-IXCJQBJRSA-N 1 1 565.501 5.494 50 0 KKAAMO CCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(OC)cc1 ZINC000036167682 554200006 /nfs/dbraw/zinc/20/00/06/554200006.db2.gz SRZHKCUJXDUPQR-UHFFFAOYSA-N 1 1 501.623 6.002 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3ccccc3C)C[C@@H]3CCCO3)o2)c2ccc(OC)cc2)cc1 ZINC000036203193 554201286 /nfs/dbraw/zinc/20/12/86/554201286.db2.gz INJLQJGIFXVUKB-PMERELPUSA-N 1 1 527.661 6.071 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)c1ccc(C(C)C)cc1)[C@H](c1ccco1)C[N@@H+]2C ZINC000036208046 554203034 /nfs/dbraw/zinc/20/30/34/554203034.db2.gz VFYDLZMBKCOEOJ-YUMFVZIFSA-N 1 1 518.657 6.682 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@@H](C(=O)c1ccc(C(C)C)cc1)[C@H](c1ccco1)C[N@H+]2C ZINC000036208046 554203037 /nfs/dbraw/zinc/20/30/37/554203037.db2.gz VFYDLZMBKCOEOJ-YUMFVZIFSA-N 1 1 518.657 6.682 50 0 KKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@H+](CC(C)C)C[C@@H](O)COCC(C)C ZINC000036301730 554211938 /nfs/dbraw/zinc/21/19/38/554211938.db2.gz VTDPTGBEPFXRNC-RUZDIDTESA-N 1 1 500.083 6.118 50 0 KKAAMO COc1ccccc1Oc1c(C[N@@H+](C[C@@H](O)COCc2ccccc2)CC2CC2)c(C)nn1-c1ccccc1 ZINC000036302272 554212220 /nfs/dbraw/zinc/21/22/20/554212220.db2.gz LOYLZFDKLVZFJM-MUUNZHRXSA-N 1 1 527.665 5.771 50 0 KKAAMO CCc1nn(-c2ccc(F)cc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)C(C)C ZINC000036303434 554213245 /nfs/dbraw/zinc/21/32/45/554213245.db2.gz HKQGNEHQNXNDKF-HHHXNRCGSA-N 1 1 517.645 6.154 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](O)COCC(C)C ZINC000036303491 554213340 /nfs/dbraw/zinc/21/33/40/554213340.db2.gz ZVOJUANSTUGPLQ-HSZRJFAPSA-N 1 1 502.055 5.108 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H](O)COCC(C)C ZINC000036303491 554213343 /nfs/dbraw/zinc/21/33/43/554213343.db2.gz ZVOJUANSTUGPLQ-HSZRJFAPSA-N 1 1 502.055 5.108 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)CC1CC1 ZINC000036304266 554214306 /nfs/dbraw/zinc/21/43/06/554214306.db2.gz KYAXCRBSMHULSO-SANMLTNESA-N 1 1 503.593 6.067 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000036304318 554214451 /nfs/dbraw/zinc/21/44/51/554214451.db2.gz GFKLBZLWHPJNDO-MHZLTWQESA-N 1 1 531.653 5.008 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H](O)COCc1ccccc1 ZINC000036304318 554214455 /nfs/dbraw/zinc/21/44/55/554214455.db2.gz GFKLBZLWHPJNDO-MHZLTWQESA-N 1 1 531.653 5.008 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)COc2ccccc2)CC2CC2)c1Oc1ccc(Cl)cc1 ZINC000036305193 554215019 /nfs/dbraw/zinc/21/50/19/554215019.db2.gz AUWCUDOATMYMCH-VWLOTQADSA-N 1 1 518.057 6.185 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)COCc2ccccc2)CC2CC2)c1Oc1cccc(F)c1 ZINC000036307271 554215836 /nfs/dbraw/zinc/21/58/36/554215836.db2.gz IXQVZYSKMBTJRB-MHZLTWQESA-N 1 1 515.629 5.808 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H]2CCCO2)c1Oc1cccc(F)c1 ZINC000036307249 554215941 /nfs/dbraw/zinc/21/59/41/554215941.db2.gz FJVGAVQSDAUGSC-ZCYQVOJMSA-N 1 1 511.638 5.176 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000036307878 554216392 /nfs/dbraw/zinc/21/63/92/554216392.db2.gz SOOFILSBMGAFHF-HHHXNRCGSA-N 1 1 529.656 6.469 50 0 KKAAMO CC(C)c1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[N@H+](C[C@@H](O)COCc1ccccc1)C1CC1 ZINC000036307878 554216389 /nfs/dbraw/zinc/21/63/89/554216389.db2.gz SOOFILSBMGAFHF-HHHXNRCGSA-N 1 1 529.656 6.469 50 0 KKAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000036308866 554216528 /nfs/dbraw/zinc/21/65/28/554216528.db2.gz JUYMECFYFTYQJZ-UHSQPCAPSA-N 1 1 536.738 5.276 50 0 KKAAMO CCC[N@H+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C[C@H](O)COCc1ccccc1 ZINC000036309401 554217121 /nfs/dbraw/zinc/21/71/21/554217121.db2.gz XTIWKHOZTQKLTP-XCZPVHLTSA-N 1 1 536.738 5.159 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036313682 554218828 /nfs/dbraw/zinc/21/88/28/554218828.db2.gz PSLGIHCJIOLPNM-VPUSJEBWSA-N 1 1 507.675 5.386 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(CC)nn(-c2ccccc2)c1Oc1ccccc1)C[C@@H]1CCCO1 ZINC000036313682 554218831 /nfs/dbraw/zinc/21/88/31/554218831.db2.gz PSLGIHCJIOLPNM-VPUSJEBWSA-N 1 1 507.675 5.386 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036313901 554219247 /nfs/dbraw/zinc/21/92/47/554219247.db2.gz SMDDWHJQJCJJKN-RPBOFIJWSA-N 1 1 529.628 5.410 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1 ZINC000036313901 554219252 /nfs/dbraw/zinc/21/92/52/554219252.db2.gz SMDDWHJQJCJJKN-RPBOFIJWSA-N 1 1 529.628 5.410 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](Cc3ccco3)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316010 554219472 /nfs/dbraw/zinc/21/94/72/554219472.db2.gz JYFNFEDHXGAPQP-VWLOTQADSA-N 1 1 503.643 5.817 50 0 KKAAMO Cc1ccc(Oc2c(C[N@H+](Cc3ccco3)C[C@H](O)COCC(C)C)c(-c3ccccc3)nn2C)cc1 ZINC000036316010 554219473 /nfs/dbraw/zinc/21/94/73/554219473.db2.gz JYFNFEDHXGAPQP-VWLOTQADSA-N 1 1 503.643 5.817 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000036316072 554219592 /nfs/dbraw/zinc/21/95/92/554219592.db2.gz USSMCBOWIAXEKC-AHWVRZQESA-N 1 1 507.675 5.345 50 0 KKAAMO Cc1ccc(C)c(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@H](c3ccccc3Cl)C2)c1 ZINC000036343871 554222280 /nfs/dbraw/zinc/22/22/80/554222280.db2.gz YCFIVVGXCDGMHQ-LJAQVGFWSA-N 1 1 501.074 5.452 50 0 KKAAMO Cc1cccc(OCC(=O)N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(F)cc3)CC2)c1 ZINC000036628293 554228448 /nfs/dbraw/zinc/22/84/48/554228448.db2.gz LSNBVWHLJMSLAU-UHFFFAOYSA-N 1 1 521.596 5.263 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 ZINC000036628306 554228601 /nfs/dbraw/zinc/22/86/01/554228601.db2.gz CEXPRWOKCPLZFM-UHFFFAOYSA-N 1 1 503.606 5.367 50 0 KKAAMO C[C@H](NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2cccs2)nc2ccccc21)c1ccccc1 ZINC000037385025 554238906 /nfs/dbraw/zinc/23/89/06/554238906.db2.gz GAMSNEUOMRBAOQ-QHCPKHFHSA-N 1 1 529.710 5.155 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(Cc4ccccc4)n3-c3cccc(C)c3)cc2)CC1 ZINC000037398758 554241134 /nfs/dbraw/zinc/24/11/34/554241134.db2.gz WMDISZDKVJJODC-UHFFFAOYSA-N 1 1 511.695 5.237 50 0 KKAAMO CC[NH+]1CCN(C(=O)CCN(Cc2ccccc2)C(=O)c2csc(Nc3cc(Cl)ccc3C)n2)CC1 ZINC000037438386 554248403 /nfs/dbraw/zinc/24/84/03/554248403.db2.gz NTBHWCAFRZGWCB-UHFFFAOYSA-N 1 1 526.106 5.045 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NC[C@H]3CC[N@H+](C4CCCC4)C3)cnn2-c2ccccc2Cl)CC1 ZINC000038139261 554259924 /nfs/dbraw/zinc/25/99/24/554259924.db2.gz RFCBVMQVEGSLPW-OAQYLSRUSA-N 1 1 556.151 5.635 50 0 KKAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000038146806 554269832 /nfs/dbraw/zinc/26/98/32/554269832.db2.gz SQKDINORIMCUSU-GFBRJQHFSA-N 1 1 533.669 5.005 50 0 KKAAMO COc1cc2c(cc1OCCC[NH+]1CCOCC1)nccc2Oc1ccc(-c2cnc(Nc3ccc(F)cc3)n(C)c2=O)cc1F ZINC000043178754 554297525 /nfs/dbraw/zinc/29/75/25/554297525.db2.gz ONSZEUCTVQJHOZ-UHFFFAOYSA-N 1 1 629.664 5.919 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3cccc(C)c3)CC2)cc1 ZINC000046853915 554320881 /nfs/dbraw/zinc/32/08/81/554320881.db2.gz ZQPBDJKSQPKMOF-UHFFFAOYSA-N 1 1 547.659 5.522 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2cc(C)ccc2C)C3=O)cc1 ZINC000053362715 554345564 /nfs/dbraw/zinc/34/55/64/554345564.db2.gz AZCDAKJQRRXXQV-CHWDOVFKSA-N 1 1 534.656 6.266 50 0 KKAAMO CCOc1ccc(C(=O)[C@@H]2[C@@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2cc(C)ccc2C)C3=O)cc1 ZINC000053362715 554345561 /nfs/dbraw/zinc/34/55/61/554345561.db2.gz AZCDAKJQRRXXQV-CHWDOVFKSA-N 1 1 534.656 6.266 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1[S@]2=O)C1CCCCC1 ZINC000053371815 554348110 /nfs/dbraw/zinc/34/81/10/554348110.db2.gz TXKVTAKWTSZFNW-KDXMTYKHSA-N 1 1 564.151 6.052 50 0 KKAAMO CCN1CC[NH+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(Cl)cc2)C(=O)c2ccccc2S3)CC1 ZINC000059503767 554399790 /nfs/dbraw/zinc/39/97/90/554399790.db2.gz GYZPVZJUMXWBLB-UHFFFAOYSA-N 1 1 549.140 5.409 50 0 KKAAMO O=C(c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000059821405 554431370 /nfs/dbraw/zinc/43/13/70/554431370.db2.gz LKEZUIPKVRSZDM-ILBGXUMGSA-N 1 1 551.638 6.152 50 0 KKAAMO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@@H+](Cc2ccccc2)C3)c(OC)c1 ZINC000100818138 554478397 /nfs/dbraw/zinc/47/83/97/554478397.db2.gz OUJSUGGRZGGWTF-UHFFFAOYSA-N 1 1 541.698 6.853 50 0 KKAAMO COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[N@H+](Cc2ccccc2)C3)c(OC)c1 ZINC000100818138 554478402 /nfs/dbraw/zinc/47/84/02/554478402.db2.gz OUJSUGGRZGGWTF-UHFFFAOYSA-N 1 1 541.698 6.853 50 0 KKAAMO CC[N@@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818128 554478466 /nfs/dbraw/zinc/47/84/66/554478466.db2.gz VLSNNUJMMMWVDF-BGYRXZFFSA-N 1 1 594.828 6.322 50 0 KKAAMO CC[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818128 554478469 /nfs/dbraw/zinc/47/84/69/554478469.db2.gz VLSNNUJMMMWVDF-BGYRXZFFSA-N 1 1 594.828 6.322 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1ccc(Br)s1 ZINC000100818208 554478480 /nfs/dbraw/zinc/47/84/80/554478480.db2.gz CSOHNWMDFFKTER-UHFFFAOYSA-N 1 1 566.571 7.659 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1ccc(Br)s1 ZINC000100818208 554478481 /nfs/dbraw/zinc/47/84/81/554478481.db2.gz CSOHNWMDFFKTER-UHFFFAOYSA-N 1 1 566.571 7.659 50 0 KKAAMO Cc1ccc2c(c1C)NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000059932652 554481878 /nfs/dbraw/zinc/48/18/78/554481878.db2.gz YOTKJXYNGWBHAW-GHQHKEJXSA-N 1 1 527.624 5.471 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@H]2c2ccc(F)cc2)/C(=C/c2ccc(F)cc2)C1 ZINC000100976805 554547015 /nfs/dbraw/zinc/54/70/15/554547015.db2.gz JYAMMINFLKKSNR-CGVHCUEWSA-N 1 1 541.623 6.477 50 0 KKAAMO COc1ccc(/C=C2\C[N@@H+](C)CC3=C2N=C2SC=C(c4ccc(Cl)cc4)N2[C@H]3c2ccc(OC)cc2)cc1 ZINC000100984866 554548197 /nfs/dbraw/zinc/54/81/97/554548197.db2.gz ZOCDJIMMLAXSPZ-TYZGFQJPSA-N 1 1 542.104 7.098 50 0 KKAAMO COc1cc(C(=O)N2CCC[C@H](COc3ccc(C[N@@H+](C)Cc4cccc5ccccc54)cc3)C2)cc(OC)c1OC ZINC000101052864 554568968 /nfs/dbraw/zinc/56/89/68/554568968.db2.gz SZMIGQJOVZYKPA-SANMLTNESA-N 1 1 568.714 6.429 50 0 KKAAMO CCn1nc(C)c(Br)c1C(=O)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000101108558 554640734 /nfs/dbraw/zinc/64/07/34/554640734.db2.gz SDJCTJBHNXKJOV-UHFFFAOYSA-N 1 1 594.381 6.235 50 0 KKAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000101149038 554656752 /nfs/dbraw/zinc/65/67/52/554656752.db2.gz MGTGKZIWABVXDJ-QYOOZWMWSA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1C ZINC000101149038 554656754 /nfs/dbraw/zinc/65/67/54/554656754.db2.gz MGTGKZIWABVXDJ-QYOOZWMWSA-N 1 1 531.534 5.476 50 0 KKAAMO COc1ccc([C@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000101189535 554670352 /nfs/dbraw/zinc/67/03/52/554670352.db2.gz BIZKLZOGPYWNFG-LQJZCPKCSA-N 1 1 561.682 5.534 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(Cl)c(Cl)c3)C(=S)N2CCC[NH+]2CCN(CC)CC2)cc1 ZINC000101216658 554684279 /nfs/dbraw/zinc/68/42/79/554684279.db2.gz MPWSXRLDQCEBNO-AREMUKBSSA-N 1 1 606.620 5.141 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254791 554695467 /nfs/dbraw/zinc/69/54/67/554695467.db2.gz GJSMFBIFWMGJEU-HKBQPEDESA-N 1 1 599.801 5.014 50 0 KKAAMO O=C(C[C@H]1C(=O)N(c2cccc(Cl)c2)C(=S)N1CCC[NH+]1CCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000101254889 554695877 /nfs/dbraw/zinc/69/58/77/554695877.db2.gz OFHKWQNSBJRKHM-NDEPHWFRSA-N 1 1 610.611 5.532 50 0 KKAAMO CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(F)cc3)C(=S)N2CCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000101254840 554695883 /nfs/dbraw/zinc/69/58/83/554695883.db2.gz HRRJHFLXBYGZKG-HKBQPEDESA-N 1 1 617.791 5.153 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101333278 554733927 /nfs/dbraw/zinc/73/39/27/554733927.db2.gz BLYKJYDYACJDIK-GLKSXAEWSA-N 1 1 542.035 5.143 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4ccc(Cl)cc43)[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101333278 554733929 /nfs/dbraw/zinc/73/39/29/554733929.db2.gz BLYKJYDYACJDIK-GLKSXAEWSA-N 1 1 542.035 5.143 50 0 KKAAMO CC(C)(C)c1ccc(S(=O)(=O)N2CCCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3ccccc3)CC2)cc1 ZINC000101341115 554735248 /nfs/dbraw/zinc/73/52/48/554735248.db2.gz UCFQKCDRLWOBKQ-PMERELPUSA-N 1 1 565.805 5.306 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@H]3CCC[N@H+]3[C@@]3(c4cccc(CC)c4NC3=O)[C@]23c2ccccc2NC3=O)cc1 ZINC000101360939 554742533 /nfs/dbraw/zinc/74/25/33/554742533.db2.gz CTAVPFGAWVEDFC-RJYGDKEGSA-N 1 1 535.644 5.052 50 0 KKAAMO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C(=O)c3ccc(Cl)cc3)CCCC2)cc(OC)c1 ZINC000101378452 554747459 /nfs/dbraw/zinc/74/74/59/554747459.db2.gz ICIIJZSWXYZDKU-NEKDWFFYSA-N 1 1 554.131 6.015 50 0 KKAAMO COc1cc(NC(=O)C2(N(C[C@H]3CCC[N@H+]4CCCC[C@H]34)C(=O)c3ccc(Cl)cc3)CCCC2)cc(OC)c1 ZINC000101378453 554747518 /nfs/dbraw/zinc/74/75/18/554747518.db2.gz ICIIJZSWXYZDKU-QDPGVEIFSA-N 1 1 554.131 6.015 50 0 KKAAMO CCOC(=O)c1ccc(N2N=C(C)[C@@]3(Cc4ccc(Cl)cc4N4CC[N@@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391665 554755203 /nfs/dbraw/zinc/75/52/03/554755203.db2.gz KDGHVVLSQKCCOI-GRKNLSHJSA-N 1 1 543.067 5.173 50 0 KKAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000101391804 554755688 /nfs/dbraw/zinc/75/56/88/554755688.db2.gz ZRXMRYXHPCGGLA-XRKRLSELSA-N 1 1 529.482 5.414 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000101416363 554765385 /nfs/dbraw/zinc/76/53/85/554765385.db2.gz QTPIRISVPQRERJ-KSXZBKJASA-N 1 1 547.696 5.251 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 ZINC000101492172 554786057 /nfs/dbraw/zinc/78/60/57/554786057.db2.gz BRBDOBQPLCPWOI-LUASENJMSA-N 1 1 559.453 5.073 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 ZINC000101492490 554786375 /nfs/dbraw/zinc/78/63/75/554786375.db2.gz VRIRGLHXHWSFLY-VSGORSPASA-N 1 1 559.453 5.073 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]12 ZINC000101502694 554789062 /nfs/dbraw/zinc/78/90/62/554789062.db2.gz ZODSENOKEKNKAW-RHRDVFBWSA-N 1 1 593.005 5.439 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)[C@@H]12 ZINC000101505547 554789702 /nfs/dbraw/zinc/78/97/02/554789702.db2.gz OPSYONZQPIEVBX-CCPXWOOUSA-N 1 1 559.453 5.073 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[NH+]4CCN(Cc5ccccc5)CC4)cc3)C2=O)c1 ZINC000101506260 554789885 /nfs/dbraw/zinc/78/98/85/554789885.db2.gz ZCXMYTBJPFHNHU-UOZKZNBHSA-N 1 1 630.858 6.921 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3S/C(=C\c3ccc(C(=O)NCCC[N@@H+]4[C@H](C)CCC[C@@H]4C)cc3)C2=O)c1 ZINC000101506521 554790523 /nfs/dbraw/zinc/79/05/23/554790523.db2.gz NIHYNGUITOSPAO-ZQVBFGMRSA-N 1 1 567.799 7.366 50 0 KKAAMO CC(C)C[C@@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000101511111 554792591 /nfs/dbraw/zinc/79/25/91/554792591.db2.gz MGEKECNNKOIUAJ-DIKZQZFXSA-N 1 1 559.453 5.073 50 0 KKAAMO CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCC[N@@H+](Cc4ccccc4)C(C)C)CC3)s2)cc1 ZINC000101575709 554799090 /nfs/dbraw/zinc/79/90/90/554799090.db2.gz WPOFVBOWBNFAQY-UHFFFAOYSA-N 1 1 615.848 5.973 50 0 KKAAMO COc1cccc(C(=O)N2CCC[C@@H](COc3ccc(C[N@@H+](C)Cc4cccc5ccccc54)cc3)C2)c1OC ZINC000101603895 554804783 /nfs/dbraw/zinc/80/47/83/554804783.db2.gz VTZDGGPXLGGHMY-AREMUKBSSA-N 1 1 538.688 6.420 50 0 KKAAMO O=C(NCCC[N@@H+](Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000101617760 554806343 /nfs/dbraw/zinc/80/63/43/554806343.db2.gz MRCUCPRDJPJKLX-IHLOFXLRSA-N 1 1 545.749 6.516 50 0 KKAAMO COc1ccc(NC(=O)N2CC[NH+](Cc3c(-c4ccccc4)nc4ccc(-c5ccc(C(C)=O)cc5)cn43)CC2)cc1 ZINC000101620075 554808552 /nfs/dbraw/zinc/80/85/52/554808552.db2.gz XXWKWDLMSIUFSH-UHFFFAOYSA-N 1 1 559.670 6.229 50 0 KKAAMO O=C(c1ccc(N2CCCCC2)cc1)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000101773095 554837577 /nfs/dbraw/zinc/83/75/77/554837577.db2.gz RWUFYEKNXAQYDR-WJOKGBTCSA-N 1 1 567.778 5.321 50 0 KKAAMO COc1ccc(CNC(=O)[C@H]2C[C@@H](C(=O)Nc3ccc(F)cc3)C[N@@H+](Cc3ccc4ccccc4c3)C2)cc1 ZINC000101810473 554839507 /nfs/dbraw/zinc/83/95/07/554839507.db2.gz SCJKSITWCJNGNQ-RRPNLBNLSA-N 1 1 525.624 5.381 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H]1c1cccs1 ZINC000101843158 554842956 /nfs/dbraw/zinc/84/29/56/554842956.db2.gz DFSIEZWLZUDNIX-KYJUHHDHSA-N 1 1 544.765 5.009 50 0 KKAAMO CSc1ccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccccn3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101889578 554846197 /nfs/dbraw/zinc/84/61/97/554846197.db2.gz NCLFWVRMIBSWFW-QABMSTFYSA-N 1 1 597.751 6.254 50 0 KKAAMO CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[NH2+]Cc3ccco3)c2C(=O)Nc2ccc(Br)cc2)C1 ZINC000101891830 554846520 /nfs/dbraw/zinc/84/65/20/554846520.db2.gz ZNCXMSYATWHQRO-MRXNPFEDSA-N 1 1 544.515 6.235 50 0 KKAAMO O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@@H+]1Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2F)CC1 ZINC000101894177 554846693 /nfs/dbraw/zinc/84/66/93/554846693.db2.gz JUNIYDBHBRARDN-AMGIVPHBSA-N 1 1 583.655 5.805 50 0 KKAAMO O=C([C@@H]1C[C@@H](Sc2nc3ccccc3[nH]2)C[N@H+]1Cc1cccc(C(F)(F)F)c1)N1CCN(c2ccccc2F)CC1 ZINC000101894177 554846694 /nfs/dbraw/zinc/84/66/94/554846694.db2.gz JUNIYDBHBRARDN-AMGIVPHBSA-N 1 1 583.655 5.805 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2C)CC[N@H+](C)C4)c1 ZINC000101916532 554850369 /nfs/dbraw/zinc/85/03/69/554850369.db2.gz NJIHIROEKPVNDM-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2C)CC[N@@H+](C)C4)c1 ZINC000101916532 554850372 /nfs/dbraw/zinc/85/03/72/554850372.db2.gz NJIHIROEKPVNDM-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO C[N@@H+](Cc1ccc(OC2CCN(C(=O)Cc3cccc(C(F)(F)F)c3)CC2)cc1)Cc1ccc2ncccc2c1 ZINC000101956325 554853272 /nfs/dbraw/zinc/85/32/72/554853272.db2.gz JCUSVCKJHRLVMI-UHFFFAOYSA-N 1 1 547.621 6.498 50 0 KKAAMO COc1c(Br)cc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](Cc1ccccc1)C3 ZINC000102079283 554875772 /nfs/dbraw/zinc/87/57/72/554875772.db2.gz JETMQCJIPKCXMF-NRFANRHFSA-N 1 1 563.315 5.694 50 0 KKAAMO COc1c(Br)cc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](Cc1ccccc1)C3 ZINC000102079283 554875773 /nfs/dbraw/zinc/87/57/73/554875773.db2.gz JETMQCJIPKCXMF-NRFANRHFSA-N 1 1 563.315 5.694 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1 ZINC000102083234 554875978 /nfs/dbraw/zinc/87/59/78/554875978.db2.gz IKMDKFVFLMZKHT-NDEPHWFRSA-N 1 1 539.657 5.778 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1 ZINC000102083234 554875981 /nfs/dbraw/zinc/87/59/81/554875981.db2.gz IKMDKFVFLMZKHT-NDEPHWFRSA-N 1 1 539.657 5.778 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000102098976 554880689 /nfs/dbraw/zinc/88/06/89/554880689.db2.gz RVTLWFPADAOMIX-LEAFIULHSA-N 1 1 562.598 7.738 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)c(OC(=O)c4ccc(C)cc4)c(OC)c2)N3)C1 ZINC000102099668 554881212 /nfs/dbraw/zinc/88/12/12/554881212.db2.gz WWGVJAPQMASXGF-HSZRJFAPSA-N 1 1 556.482 5.854 50 0 KKAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OC(=O)c4ccc(Br)cc4)c(OC)c2)N3)C1 ZINC000102099484 554881222 /nfs/dbraw/zinc/88/12/22/554881222.db2.gz XYWXOMDWPDAYOM-QFIPXVFZSA-N 1 1 542.455 5.545 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cc(F)cc(F)c1 ZINC000102102914 554882016 /nfs/dbraw/zinc/88/20/16/554882016.db2.gz CBYANWOQDGVMOH-UHFFFAOYSA-N 1 1 558.500 7.482 50 0 KKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cc(F)cc(F)c1 ZINC000102102914 554882018 /nfs/dbraw/zinc/88/20/18/554882018.db2.gz CBYANWOQDGVMOH-UHFFFAOYSA-N 1 1 558.500 7.482 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000102102985 554882060 /nfs/dbraw/zinc/88/20/60/554882060.db2.gz QKIXGMXKLACKEF-JGCGQSQUSA-N 1 1 583.817 6.743 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](CC(C)C)C[C@H](O)COCc1ccccc1 ZINC000102104401 554882395 /nfs/dbraw/zinc/88/23/95/554882395.db2.gz HMFQKLPQKMUUQF-MHZLTWQESA-N 1 1 535.635 6.287 50 0 KKAAMO CC(C)(C)OC(=O)N1CCC(c2c(C(=O)NCC[NH+]3CCN(c4ccccc4)CC3)cnn2-c2ccc(Cl)cc2)CC1 ZINC000102130035 554884916 /nfs/dbraw/zinc/88/49/16/554884916.db2.gz ZKIXGDGIBMFKCG-UHFFFAOYSA-N 1 1 593.172 5.192 50 0 KKAAMO COc1ccc(-c2ccccc2)cc1NC(=O)CC[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 ZINC000102253154 554904042 /nfs/dbraw/zinc/90/40/42/554904042.db2.gz BNKBIOUYEQDIFR-BHBYDHKZSA-N 1 1 548.127 5.957 50 0 KKAAMO COc1ccc(-c2ccccc2)cc1NC(=O)CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1[NH+]1CCOCC1 ZINC000102253154 554904045 /nfs/dbraw/zinc/90/40/45/554904045.db2.gz BNKBIOUYEQDIFR-BHBYDHKZSA-N 1 1 548.127 5.957 50 0 KKAAMO O=C(CC[C@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1N1CCOCC1)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000102300126 554908467 /nfs/dbraw/zinc/90/84/67/554908467.db2.gz YZSPBYUEUJMJPA-QVWWMRLHSA-N 1 1 559.154 6.124 50 0 KKAAMO O=C(CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1[NH+]1CCOCC1)Nc1ccc2c(c1)Nc1ccccc1CC2 ZINC000102300126 554908470 /nfs/dbraw/zinc/90/84/70/554908470.db2.gz YZSPBYUEUJMJPA-QVWWMRLHSA-N 1 1 559.154 6.124 50 0 KKAAMO O=C(/C=C/c1ccccc1Cl)N1CCC[C@@H](COc2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)cc2)C1 ZINC000102379822 554918278 /nfs/dbraw/zinc/91/82/78/554918278.db2.gz AUZUXUHUWMZMTD-FUCFDFLFSA-N 1 1 545.127 5.384 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@H](C(=O)Nc3ccc4c(c3)CCC4)C[C@H](C(=O)NCc3cccc4ccccc43)C2)cc1OC ZINC000102415015 554924554 /nfs/dbraw/zinc/92/45/54/554924554.db2.gz JDELCIKPOLKRNC-XZWHSSHBSA-N 1 1 577.725 5.739 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc(Br)c2)cc1 ZINC000102452355 554932739 /nfs/dbraw/zinc/93/27/39/554932739.db2.gz FFGVMOHRGFEHLN-JGCGQSQUSA-N 1 1 630.594 8.585 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc(Br)cc4)N3[C@H]2c2ccc(Cl)cc2)/C(=C/c2ccc(Cl)cc2)C1 ZINC000102462454 554935338 /nfs/dbraw/zinc/93/53/38/554935338.db2.gz VPDWQCSGRSINMO-BSKIJULFSA-N 1 1 595.393 8.497 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)c(Cl)c2)CC[N@H+](C)C4)cc1 ZINC000102499497 554941839 /nfs/dbraw/zinc/94/18/39/554941839.db2.gz XJKQXWHUHXLLAT-SANMLTNESA-N 1 1 537.060 6.465 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)c(Cl)c2)CC[N@@H+](C)C4)cc1 ZINC000102499497 554941841 /nfs/dbraw/zinc/94/18/41/554941841.db2.gz XJKQXWHUHXLLAT-SANMLTNESA-N 1 1 537.060 6.465 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@@H+](C)CC4)cc1OC ZINC000102500254 554942851 /nfs/dbraw/zinc/94/28/51/554942851.db2.gz SFDYHSAPOUYEET-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2cccc(Cl)c2)C[N@H+](C)CC4)cc1OC ZINC000102500254 554942853 /nfs/dbraw/zinc/94/28/53/554942853.db2.gz SFDYHSAPOUYEET-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO Cc1ccc(-c2cc3c(c(OC[C@@H]4CCC[N@H+](C)C4)c2)OCCN(C(=O)c2cccc(Cn4cccn4)c2)C3)s1 ZINC000102548886 554960533 /nfs/dbraw/zinc/96/05/33/554960533.db2.gz CZZRJWORNLZJDH-RUZDIDTESA-N 1 1 556.732 5.724 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@]21[N@H+]2CCC[C@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12c1ccccc1NC2=O ZINC000102657698 554999570 /nfs/dbraw/zinc/99/95/70/554999570.db2.gz QYQDPBFSISDNBS-WCISARMNSA-N 1 1 527.624 5.417 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[N@@H+]3CCC[C@H](C)C3)cc2)C1=O ZINC000102668328 555002180 /nfs/dbraw/zinc/00/21/80/555002180.db2.gz NXRHPAWVMZAATB-ISJDOPSVSA-N 1 1 539.745 6.527 50 0 KKAAMO Cc1ccc(Nc2cc(C)[nH+]c(N3CCN(C(=O)c4cc5cc(Br)cc(Br)c5oc4=O)CC3)n2)cc1 ZINC000102683370 555006649 /nfs/dbraw/zinc/00/66/49/555006649.db2.gz XJYYKZMWOXJTBN-UHFFFAOYSA-N 1 1 613.310 5.431 50 0 KKAAMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CN2C(=O)/C(=C\c3cccc(Br)c3)Sc3ccccc32)C1 ZINC000102719632 555019727 /nfs/dbraw/zinc/01/97/27/555019727.db2.gz VFDAXEAIYIKFRI-LZSGNZRWSA-N 1 1 542.543 5.413 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccc(Cl)cc2)Sc2ccccc21)Cc1ccccc1 ZINC000102764070 555054369 /nfs/dbraw/zinc/05/43/69/555054369.db2.gz XZPIKJDBQVTAMP-USHMODERSA-N 1 1 534.125 6.237 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)CN1C(=O)/C(=C/c2cccc(Cl)c2)Sc2ccccc21)Cc1ccccc1 ZINC000102766746 555055474 /nfs/dbraw/zinc/05/54/74/555055474.db2.gz NJXHVDFSIQYTIB-ANYBSYGZSA-N 1 1 548.152 6.628 50 0 KKAAMO O=C(NCC[NH+]1CCN(c2cccc(Cl)c2)CC1)c1ccc(/C=C2\Oc3ccccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000102770730 555058070 /nfs/dbraw/zinc/05/80/70/555058070.db2.gz SJLXVMYITCDKAS-NVMPUMLXSA-N 1 1 627.572 6.512 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102773417 555061869 /nfs/dbraw/zinc/06/18/69/555061869.db2.gz FDBJOTRTGIYKHF-NWDGNEFISA-N 1 1 534.015 5.508 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3c2cccc3Cl)[C@]12C(=O)Nc1ccccc12 ZINC000102773417 555061873 /nfs/dbraw/zinc/06/18/73/555061873.db2.gz FDBJOTRTGIYKHF-NWDGNEFISA-N 1 1 534.015 5.508 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2 ZINC000102780769 555065986 /nfs/dbraw/zinc/06/59/86/555065986.db2.gz ZPTWWFUWWUIMJG-GNBVBFFASA-N 1 1 557.735 6.890 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3cccc(Cl)c3)C2=O)cc1)Cc1ccccc1 ZINC000102787432 555068001 /nfs/dbraw/zinc/06/80/01/555068001.db2.gz NGUWPIKHTGRVKC-KVQDIILNSA-N 1 1 624.250 8.442 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2S/C(=C/c2ccc(C(=O)NCCC[NH+]3CCN(Cc4ccccc4)CC3)cc2)C1=O ZINC000102787448 555068042 /nfs/dbraw/zinc/06/80/42/555068042.db2.gz OGYAOWRGUYNXCT-LZBRRTOVSA-N 1 1 616.831 6.613 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCC(C)CC3)cc21 ZINC000102790149 555068834 /nfs/dbraw/zinc/06/88/34/555068834.db2.gz TXWJXCBOIFMYKX-XMMPIXPASA-N 1 1 563.768 5.102 50 0 KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2/Sc3ccccc3N(Cc3ccccc3C)C2=O)cc1 ZINC000102791923 555069262 /nfs/dbraw/zinc/06/92/62/555069262.db2.gz MACYPRSWFHEMQG-KWLUCORDSA-N 1 1 553.772 7.059 50 0 KKAAMO CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]2C[C@H]3c4cc(OC)c(OC)cc4CC[N@H+]3C[C@@H]2CC)cc1 ZINC000102807544 555073530 /nfs/dbraw/zinc/07/35/30/555073530.db2.gz KQLDASGMVSYSES-WBRRLNHMSA-N 1 1 628.810 6.895 50 0 biogenic KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000102839029 555080495 /nfs/dbraw/zinc/08/04/95/555080495.db2.gz DAWQZRHKWHKFCM-HRFSGMKKSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@H](C)C1 ZINC000102839029 555080497 /nfs/dbraw/zinc/08/04/97/555080497.db2.gz DAWQZRHKWHKFCM-HRFSGMKKSA-N 1 1 541.639 5.396 50 0 KKAAMO O=C(CC[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000102839185 555080665 /nfs/dbraw/zinc/08/06/65/555080665.db2.gz FMVBMVQXNSQGMM-MHZLTWQESA-N 1 1 542.532 5.767 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@H](C)C2)cc1 ZINC000102840699 555081549 /nfs/dbraw/zinc/08/15/49/555081549.db2.gz ZJPJCVLNSHGHBF-XHCCPWGMSA-N 1 1 542.532 5.684 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)c3ccc(Cl)cc3Cl)[C@H](C)C2)cc1 ZINC000102840699 555081552 /nfs/dbraw/zinc/08/15/52/555081552.db2.gz ZJPJCVLNSHGHBF-XHCCPWGMSA-N 1 1 542.532 5.684 50 0 KKAAMO O=C(C[N@@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102841215 555081841 /nfs/dbraw/zinc/08/18/41/555081841.db2.gz SDNZSLPSCHAZED-SANMLTNESA-N 1 1 528.505 5.377 50 0 KKAAMO O=C(C[N@H+]1CCc2sccc2[C@@H]1c1ccccc1)N1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000102841215 555081842 /nfs/dbraw/zinc/08/18/42/555081842.db2.gz SDNZSLPSCHAZED-SANMLTNESA-N 1 1 528.505 5.377 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102842437 555082789 /nfs/dbraw/zinc/08/27/89/555082789.db2.gz AZLYJDYZRYKWNF-HHHXNRCGSA-N 1 1 541.639 5.398 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000102842437 555082792 /nfs/dbraw/zinc/08/27/92/555082792.db2.gz AZLYJDYZRYKWNF-HHHXNRCGSA-N 1 1 541.639 5.398 50 0 KKAAMO COCC[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@H](O)COCc1ccccc1 ZINC000103022010 555213091 /nfs/dbraw/zinc/21/30/91/555213091.db2.gz VIAUEWDTMOYEQE-SANMLTNESA-N 1 1 536.072 5.559 50 0 KKAAMO CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000103035481 555222571 /nfs/dbraw/zinc/22/25/71/555222571.db2.gz HUVULYHTPMWPRH-HHHXNRCGSA-N 1 1 538.519 6.072 50 0 KKAAMO COc1ccc2c(c1)c(CC(=O)N1CC[NH+](C(c3ccccc3)c3ccccc3)CC1)c(C)n2C(=O)c1ccc(Cl)cc1 ZINC000103035422 555222600 /nfs/dbraw/zinc/22/26/00/555222600.db2.gz JZSODUSCCNLSSQ-UHFFFAOYSA-N 1 1 592.139 6.777 50 0 KKAAMO CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000103035412 555222622 /nfs/dbraw/zinc/22/26/22/555222622.db2.gz OPJWTMRQYPSUIJ-UHFFFAOYSA-N 1 1 539.701 5.449 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](CCN3CCOCC3)Cc3sccc3C)o2)c2ccc(OC)cc2)cc1 ZINC000103038350 555223985 /nfs/dbraw/zinc/22/39/85/555223985.db2.gz LRROSHRNZDFSKV-UHFFFAOYSA-N 1 1 562.732 5.285 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@@H+](CCN3CCOCC3)Cc3sccc3C)o2)c2ccc(OC)cc2)cc1 ZINC000103038350 555223987 /nfs/dbraw/zinc/22/39/87/555223987.db2.gz LRROSHRNZDFSKV-UHFFFAOYSA-N 1 1 562.732 5.285 50 0 KKAAMO CSc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000103040094 555224509 /nfs/dbraw/zinc/22/45/09/555224509.db2.gz KBOITOQUUWEKPB-NGOKVRLYSA-N 1 1 552.741 5.712 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000103039999 555224529 /nfs/dbraw/zinc/22/45/29/555224529.db2.gz FWZPRJIMSLCVPB-CLYVBNDRSA-N 1 1 575.537 6.296 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103040144 555224536 /nfs/dbraw/zinc/22/45/36/555224536.db2.gz WRQAGDADNSFIDQ-FWUCURJTSA-N 1 1 563.739 5.777 50 0 KKAAMO CCCCCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000103061235 555242424 /nfs/dbraw/zinc/24/24/24/555242424.db2.gz CRAAZTDUHIJFSQ-BNHRFMORSA-N 1 1 561.767 6.331 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COCc1ccccc1 ZINC000103062446 555243553 /nfs/dbraw/zinc/24/35/53/555243553.db2.gz UYEZIDABGSBKDM-AREMUKBSSA-N 1 1 537.607 5.277 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H](O)COCc1ccccc1 ZINC000103062446 555243556 /nfs/dbraw/zinc/24/35/56/555243556.db2.gz UYEZIDABGSBKDM-AREMUKBSSA-N 1 1 537.607 5.277 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COc1ccccc1C ZINC000103064949 555245419 /nfs/dbraw/zinc/24/54/19/555245419.db2.gz VKEFOSCWQNXSIT-YTTGMZPUSA-N 1 1 583.817 6.887 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cc(F)cc(F)c1 ZINC000103072331 555252271 /nfs/dbraw/zinc/25/22/71/555252271.db2.gz ZKEKRDVDQLGJAR-UHFFFAOYSA-N 1 1 558.500 7.627 50 0 KKAAMO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cc(F)cc(F)c1 ZINC000103072331 555252274 /nfs/dbraw/zinc/25/22/74/555252274.db2.gz ZKEKRDVDQLGJAR-UHFFFAOYSA-N 1 1 558.500 7.627 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000103072383 555252299 /nfs/dbraw/zinc/25/22/99/555252299.db2.gz CQHXEODWKVDYAN-SSEXGKCCSA-N 1 1 573.778 6.310 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccccc4)c(C[NH+]4CCN(C(=O)[C@H]5CCC[C@@H](OC)C5)CC4)n3c2)c1 ZINC000103096090 555274154 /nfs/dbraw/zinc/27/41/54/555274154.db2.gz UBQUYBXAKSSAJP-LMSSTIIKSA-N 1 1 552.719 5.916 50 0 KKAAMO CCCCc1ccc(C(=O)Oc2ccc(-c3[nH+]c4ccc(Br)cn4c3NC3CCCCC3)cc2OC)cc1 ZINC000103167876 555323794 /nfs/dbraw/zinc/32/37/94/555323794.db2.gz RLVHVVTZRUDQJI-UHFFFAOYSA-N 1 1 576.535 8.079 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000103176371 555327463 /nfs/dbraw/zinc/32/74/63/555327463.db2.gz KCIUKKCHMJAGTE-YTTGMZPUSA-N 1 1 569.790 6.326 50 0 KKAAMO Nc1c2c(nn1-c1ccc(Cl)c(Cl)c1)nc(N1CC[NH+](Cc3ccc(Cl)cc3)CC1)nc2-c1ccccc1F ZINC000103235059 555342181 /nfs/dbraw/zinc/34/21/81/555342181.db2.gz USSRNPBDMCYXGZ-UHFFFAOYSA-N 1 1 582.898 6.486 50 0 KKAAMO Cc1ccc(-c2nc3ccc(-c4ccccc4Cl)cn3c2C[NH+]2CCN(C(=O)Nc3ccccc3C)CC2)cc1 ZINC000103252396 555344393 /nfs/dbraw/zinc/34/43/93/555344393.db2.gz HBIYIHYXTAYICL-UHFFFAOYSA-N 1 1 550.106 7.288 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308926 555357456 /nfs/dbraw/zinc/35/74/56/555357456.db2.gz JMKLVSPRGBSJDC-MCZNPFQCSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(C(=O)Nc4c3cc(C)cc4Cl)[C@]23C(=O)Nc2ccccc23)c1 ZINC000103308926 555357461 /nfs/dbraw/zinc/35/74/61/555357461.db2.gz JMKLVSPRGBSJDC-MCZNPFQCSA-N 1 1 556.062 5.452 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](CCN3CCOCC3)Cc3ccc(C)s3)o2)c2ccc(OC)cc2)cc1 ZINC000103316379 555358335 /nfs/dbraw/zinc/35/83/35/555358335.db2.gz HZKAKXWADQFOEW-UHFFFAOYSA-N 1 1 562.732 5.285 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@@H+](CCN3CCOCC3)Cc3ccc(C)s3)o2)c2ccc(OC)cc2)cc1 ZINC000103316379 555358337 /nfs/dbraw/zinc/35/83/37/555358337.db2.gz HZKAKXWADQFOEW-UHFFFAOYSA-N 1 1 562.732 5.285 50 0 KKAAMO O=C1CS[C@]2(c3ccccc3N(C[N@@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc2ccccc2c1 ZINC000103359780 555364384 /nfs/dbraw/zinc/36/43/84/555364384.db2.gz CBMIDXWBWFLPLG-FKAPRUDGSA-N 1 1 505.643 5.566 50 0 KKAAMO O=C1CS[C@]2(c3ccccc3N(C[N@H+]3CC[C@H](c4ccccc4)C3)C2=O)N1c1ccc2ccccc2c1 ZINC000103359780 555364386 /nfs/dbraw/zinc/36/43/86/555364386.db2.gz CBMIDXWBWFLPLG-FKAPRUDGSA-N 1 1 505.643 5.566 50 0 KKAAMO CCOc1cccc(-c2ccc3nc(-c4ccc(C)cc4)c(C[NH+]4CCN(C(=O)[C@H]5CCC[C@@H](OC)C5)CC4)n3c2)c1 ZINC000103360318 555364695 /nfs/dbraw/zinc/36/46/95/555364695.db2.gz XOWLTBUFTZDVDQ-MFMCTBQISA-N 1 1 566.746 6.225 50 0 KKAAMO CC(C)c1cccc(C(C)C)c1NC(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000103363019 555365323 /nfs/dbraw/zinc/36/53/23/555365323.db2.gz HNWYPQMPLZHZNV-IANOAQMISA-N 1 1 590.809 7.236 50 0 KKAAMO O=C1N(c2ccccc2)C(=O)C2(Cc3ccc(Cl)cc3N3CC[N@H+](Cc4ccccc4)C[C@@H]32)C(=O)N1c1ccccc1 ZINC000103409382 555395459 /nfs/dbraw/zinc/39/54/59/555395459.db2.gz ORQUPXIYXYDAJT-SSEXGKCCSA-N 1 1 577.084 5.773 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(OC)c(OCc3ccccc3)c2)CC1 ZINC000103419495 555399969 /nfs/dbraw/zinc/39/99/69/555399969.db2.gz AKLRAFDBVWIRCD-MGBGTMOVSA-N 1 1 587.764 6.963 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2ccc(C(F)(F)F)cc2)CC1 ZINC000103420112 555400399 /nfs/dbraw/zinc/40/03/99/555400399.db2.gz RNWCHJXUAWOJLS-MHZLTWQESA-N 1 1 537.601 6.534 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000103421308 555401998 /nfs/dbraw/zinc/40/19/98/555401998.db2.gz NHZZRRXHSZJKLP-UHFFFAOYSA-N 1 1 578.801 7.315 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cc3cc(NC(=O)CCc4ccccc4)ccc3n2Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000103421273 555402006 /nfs/dbraw/zinc/40/20/06/555402006.db2.gz GWJWCIYNDYXIIU-UHFFFAOYSA-N 1 1 550.747 6.336 50 0 KKAAMO COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103513361 555422715 /nfs/dbraw/zinc/42/27/15/555422715.db2.gz XHJJEFWCVZUQMD-KHLUAOTOSA-N 1 1 526.592 5.677 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)[N@@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103513361 555422717 /nfs/dbraw/zinc/42/27/17/555422717.db2.gz XHJJEFWCVZUQMD-KHLUAOTOSA-N 1 1 526.592 5.677 50 0 KKAAMO COc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3ccccc3)[N@H+]3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000103513361 555422719 /nfs/dbraw/zinc/42/27/19/555422719.db2.gz XHJJEFWCVZUQMD-KHLUAOTOSA-N 1 1 526.592 5.677 50 0 KKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169365036 562864429 /nfs/dbraw/zinc/86/44/29/562864429.db2.gz SQKDINORIMCUSU-SEYIBYQZSA-N 1 1 533.669 5.005 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000105060182 571390769 /nfs/dbraw/zinc/39/07/69/571390769.db2.gz DAWQZRHKWHKFCM-DCFHFQCYSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)[C@@H](C)C1 ZINC000105060182 571390771 /nfs/dbraw/zinc/39/07/71/571390771.db2.gz DAWQZRHKWHKFCM-DCFHFQCYSA-N 1 1 541.639 5.396 50 0 KKAAMO Cc1ccccc1C(=O)N1CCCN(C(=O)[C@@H](C)[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1 ZINC000105061364 571391074 /nfs/dbraw/zinc/39/10/74/571391074.db2.gz LUQQPNLBSSZAGB-LXFBAYGMSA-N 1 1 501.696 5.076 50 0 KKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000106535850 571412917 /nfs/dbraw/zinc/41/29/17/571412917.db2.gz FNUYFHGFTXQGKP-NCYKPQTJSA-N 1 1 502.920 5.489 50 0 KKAAMO CC(C)(C)C(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000106535850 571412918 /nfs/dbraw/zinc/41/29/18/571412918.db2.gz FNUYFHGFTXQGKP-NCYKPQTJSA-N 1 1 502.920 5.489 50 0 KKAAMO c1ccc(CC[N@@H+]2[C@H](c3ccccc3)C[C@H](NCc3ccccc3)[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000106586649 571413076 /nfs/dbraw/zinc/41/30/76/571413076.db2.gz MTFXVXUBNOYWNP-CDBYGCFJSA-N 1 1 522.736 8.360 50 0 KKAAMO c1ccc(CC[N@H+]2[C@H](c3ccccc3)C[C@H](NCc3ccccc3)[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000106586649 571413077 /nfs/dbraw/zinc/41/30/77/571413077.db2.gz MTFXVXUBNOYWNP-CDBYGCFJSA-N 1 1 522.736 8.360 50 0 KKAAMO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000150344813 571459478 /nfs/dbraw/zinc/45/94/78/571459478.db2.gz JLVIBXZXLSSJGK-WMPKNSHKSA-N 1 1 848.272 7.992 50 0 KKAAMO CCCCCCOc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc1 ZINC000150388837 571471230 /nfs/dbraw/zinc/47/12/30/571471230.db2.gz SYBWYLURVOBBDG-UHFFFAOYSA-N 1 1 686.167 9.976 50 0 KKAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1[C@@H](SCC(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)c1ccccc1Cl ZINC000150415447 571485476 /nfs/dbraw/zinc/48/54/76/571485476.db2.gz DHCCQWZJTSWLPK-QNGWXLTQSA-N 1 1 668.259 7.763 50 0 KKAAMO Cc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2ccc(Br)cc2)C[N@@H+](Cc2ccccc2)CC4)c1 ZINC000150425265 571489760 /nfs/dbraw/zinc/48/97/60/571489760.db2.gz VDULLLWYRRLBSE-UHFFFAOYSA-N 1 1 631.621 6.807 50 0 KKAAMO Cc1cccc(-n2c(=O)c3c4c(sc3nc2SCC(=O)Nc2ccc(Br)cc2)C[N@H+](Cc2ccccc2)CC4)c1 ZINC000150425265 571489762 /nfs/dbraw/zinc/48/97/62/571489762.db2.gz VDULLLWYRRLBSE-UHFFFAOYSA-N 1 1 631.621 6.807 50 0 KKAAMO CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)C(=O)C[C@@H]1c1ccccc1Cl ZINC000150465835 571507891 /nfs/dbraw/zinc/50/78/91/571507891.db2.gz NVPASPDNIBEINP-UUWRZZSWSA-N 1 1 662.230 7.241 50 0 KKAAMO CCOC(=O)C1=C(C)N(Cc2cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c2)C(=O)C[C@@H]1c1ccc(F)cc1 ZINC000150465815 571507954 /nfs/dbraw/zinc/50/79/54/571507954.db2.gz JHQDRXFVGKWZPI-PGUFJCEWSA-N 1 1 645.775 6.726 50 0 KKAAMO COc1ccc(C(C2C(=O)NC(=S)[C@H](c3ccccc3OC)C2=O)C2C(=O)NC(=S)[C@H](c3ccccc3OC)C2=O)cc1C[NH+]1CCCCC1 ZINC000150623762 571523571 /nfs/dbraw/zinc/52/35/71/571523571.db2.gz OENHLHXEBRHHIS-LOYHVIPDSA-N 1 1 713.878 6.711 50 0 KKAAMO O[C@H](CC1c2ccccc2-c2ccccc21)CN1CC[NH+](C[C@H](O)C[C@H]2c3ccc(Br)cc3-c3cc(Br)cc(Br)c32)CC1 ZINC000150631406 571524123 /nfs/dbraw/zinc/52/41/23/571524123.db2.gz NFKZAYGAZSLISU-ACHOWJBZSA-N 1 1 767.400 8.019 50 0 KKAAMO O[C@@H](Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21)C[NH+]1CCN(C[C@H](O)Cn2c3ccc(Br)cc3c3cc(Br)ccc32)CC1 ZINC000158987911 571529940 /nfs/dbraw/zinc/52/99/40/571529940.db2.gz NSLBTBGUFUPTCR-IZZNHLLZSA-N 1 1 759.370 7.774 50 0 KKAAMO O=C(NCc1ccccc1F)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@@H]12 ZINC000169677730 571555219 /nfs/dbraw/zinc/55/52/19/571555219.db2.gz GEDCOQQPMHRGRC-SQHAQQRYSA-N 1 1 511.563 5.067 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)[C@@H](C)C2)cc1 ZINC000169677818 571555355 /nfs/dbraw/zinc/55/53/55/571555355.db2.gz KZDGHLNPAVBANO-CCLHPLFOSA-N 1 1 523.102 5.422 50 0 KKAAMO Cc1ccc([C@@H]2c3ccsc3CC[N@@H+]2CC(=O)N2CCN(C(=O)Nc3cccc(Cl)c3)[C@@H](C)C2)cc1 ZINC000169677818 571555356 /nfs/dbraw/zinc/55/53/56/571555356.db2.gz KZDGHLNPAVBANO-CCLHPLFOSA-N 1 1 523.102 5.422 50 0 KKAAMO COc1cccc(NC(=O)[C@@H]2Cc3cc(C(F)(F)F)ccc3N3CC[N@@H+](CCc4ccccc4)C[C@@H]23)c1 ZINC000169679070 571556304 /nfs/dbraw/zinc/55/63/04/571556304.db2.gz YAFRJORLWKGUDR-VPUSJEBWSA-N 1 1 509.572 5.258 50 0 KKAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1cccc(F)c1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000169680049 571556767 /nfs/dbraw/zinc/55/67/67/571556767.db2.gz NWXYRCUVHTYKDD-IRLDBZIGSA-N 1 1 507.389 5.298 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000169680875 571557239 /nfs/dbraw/zinc/55/72/39/571557239.db2.gz KSJIYJMMQOSFBH-RBISFHTESA-N 1 1 502.684 5.077 50 0 KKAAMO Cc1ccc(NC(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccc(C)cc3)C[C@@H]2C)cc1 ZINC000169680875 571557241 /nfs/dbraw/zinc/55/72/41/571557241.db2.gz KSJIYJMMQOSFBH-RBISFHTESA-N 1 1 502.684 5.077 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)C[N@H+]3C)c1 ZINC000169699069 571558881 /nfs/dbraw/zinc/55/88/81/571558881.db2.gz VRZXJDFERVRAHU-UDBCBOCPSA-N 1 1 518.632 6.413 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@@H](C(=O)c2ccccc2)[C@@H](c2ccc(F)cc2)C[N@@H+]3C)c1 ZINC000169699069 571558884 /nfs/dbraw/zinc/55/88/84/571558884.db2.gz VRZXJDFERVRAHU-UDBCBOCPSA-N 1 1 518.632 6.413 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000225075185 571644547 /nfs/dbraw/zinc/64/45/47/571644547.db2.gz QLKVBXMNISXUHE-YZNIXAGQSA-N 1 1 528.668 6.554 50 0 KKAAMO COc1cccc(C[N@H+]2CC[C@@H](N3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)Nc3cccc(C)c3)C2)c1OC ZINC000299764756 572135629 /nfs/dbraw/zinc/13/56/29/572135629.db2.gz DSFKMEMAHPHFQJ-FREGXXQWSA-N 1 1 574.741 5.583 50 0 KKAAMO COc1cccc(CN2CC[C@@H]([NH+]3CCN(c4ccccc4F)CC3)[C@@H](CCC(=O)Nc3cccc(C)c3)C2)c1OC ZINC000299764756 572135632 /nfs/dbraw/zinc/13/56/32/572135632.db2.gz DSFKMEMAHPHFQJ-FREGXXQWSA-N 1 1 574.741 5.583 50 0 KKAAMO COC(=O)C1(C(=O)OC)[C@H](c2ccccc2)[C@@H](C(=O)c2ccc(Cl)cc2Cl)[N@H+]2C=Cc3ccccc3[C@H]21 ZINC000229932184 572170902 /nfs/dbraw/zinc/17/09/02/572170902.db2.gz XZLDJIMNFYMIEX-USZFVNFHSA-N 1 1 536.411 5.702 50 0 KKAAMO COc1ccc([C@H](C)[N@@H+](C[C@@H](O)CO[C@H]2CCCc3ccccc32)C[C@H](O)CO[C@@H]2CCCc3ccccc32)cc1F ZINC000245224678 572202397 /nfs/dbraw/zinc/20/23/97/572202397.db2.gz BGILIDOZSPNEAV-JAYNAORVSA-N 1 1 577.737 6.108 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000245235032 572209832 /nfs/dbraw/zinc/20/98/32/572209832.db2.gz GZALGSHCPGBAGE-JDXGNMNLSA-N 1 1 517.645 5.347 50 0 KKAAMO Cc1ccc(Oc2c(C[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H]3CCCO3)c(-c3ccccc3)nn2C)cc1 ZINC000245280854 572224487 /nfs/dbraw/zinc/22/44/87/572224487.db2.gz USSMCBOWIAXEKC-AOYPEHQESA-N 1 1 507.675 5.345 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000245327550 572234049 /nfs/dbraw/zinc/23/40/49/572234049.db2.gz KIKISGOANDWTGW-UZTOHYMASA-N 1 1 541.092 5.643 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000245329985 572236145 /nfs/dbraw/zinc/23/61/45/572236145.db2.gz WHJKGIFSNRYXGY-LSYYVWMOSA-N 1 1 512.616 6.929 50 0 KKAAMO C[C@@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245330619 572236442 /nfs/dbraw/zinc/23/64/42/572236442.db2.gz ZMKUAJSIYXRGKV-WXTAPIANSA-N 1 1 528.505 5.376 50 0 KKAAMO C[C@@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)c1ccc(Cl)cc1Cl ZINC000245330619 572236445 /nfs/dbraw/zinc/23/64/45/572236445.db2.gz ZMKUAJSIYXRGKV-WXTAPIANSA-N 1 1 528.505 5.376 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000245343568 572239399 /nfs/dbraw/zinc/23/93/99/572239399.db2.gz SEKVNHIOSTWNSO-LMSSTIIKSA-N 1 1 511.666 5.812 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@@H](O)Cc1ccccc1)C[C@H]1CCCO1 ZINC000245343568 572239402 /nfs/dbraw/zinc/23/94/02/572239402.db2.gz SEKVNHIOSTWNSO-LMSSTIIKSA-N 1 1 511.666 5.812 50 0 KKAAMO c1ccc(CC[N@@H+]2[C@H](c3ccccc3)C[C@H](NCc3ccccc3)[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000245380792 572240500 /nfs/dbraw/zinc/24/05/00/572240500.db2.gz MTFXVXUBNOYWNP-IZBQCXFTSA-N 1 1 522.736 8.360 50 0 KKAAMO c1ccc(CC[N@H+]2[C@H](c3ccccc3)C[C@H](NCc3ccccc3)[C@H](c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000245380792 572240503 /nfs/dbraw/zinc/24/05/03/572240503.db2.gz MTFXVXUBNOYWNP-IZBQCXFTSA-N 1 1 522.736 8.360 50 0 KKAAMO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247464704 572242453 /nfs/dbraw/zinc/24/24/53/572242453.db2.gz CEWYQWIONLSANJ-QFIPXVFZSA-N 1 1 517.471 5.359 50 0 KKAAMO O=C(NCc1ccc(Cl)cc1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247489606 572242575 /nfs/dbraw/zinc/24/25/75/572242575.db2.gz LXDOBCPACMYBJP-QFIPXVFZSA-N 1 1 507.465 5.920 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247507528 572242863 /nfs/dbraw/zinc/24/28/63/572242863.db2.gz RYSPZJPVACBZGF-HXUWFJFHSA-N 1 1 582.340 6.079 50 0 KKAAMO O=C(NCc1ccc(Cl)cc1)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247497996 572242911 /nfs/dbraw/zinc/24/29/11/572242911.db2.gz OWCNTBITPZWLFW-UHFFFAOYSA-N 1 1 507.465 5.920 50 0 KKAAMO O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247726609 572243710 /nfs/dbraw/zinc/24/37/10/572243710.db2.gz DRLIOSCWJRJHGA-RUZDIDTESA-N 1 1 595.541 7.218 50 0 KKAAMO O=C(Nc1ccc(F)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247724777 572243869 /nfs/dbraw/zinc/24/38/69/572243869.db2.gz CZBIOOLHYRMAJR-UHFFFAOYSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247731289 572244059 /nfs/dbraw/zinc/24/40/59/572244059.db2.gz HLDFMSLWIGBGBE-LJQANCHMSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247731289 572244062 /nfs/dbraw/zinc/24/40/62/572244062.db2.gz HLDFMSLWIGBGBE-LJQANCHMSA-N 1 1 527.883 6.896 50 0 KKAAMO O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247739662 572244078 /nfs/dbraw/zinc/24/40/78/572244078.db2.gz MWXMBQXJOFZRQA-SFHVURJKSA-N 1 1 557.414 6.658 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCN(c2cc(Cl)ccc2Cl)CC1 ZINC000247806360 572245396 /nfs/dbraw/zinc/24/53/96/572245396.db2.gz BIYSGXLDRNGWIO-UHFFFAOYSA-N 1 1 566.508 6.032 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000247842186 572246090 /nfs/dbraw/zinc/24/60/90/572246090.db2.gz FVSLFOILDLDCPS-JOCHJYFZSA-N 1 1 592.969 6.002 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247849128 572246244 /nfs/dbraw/zinc/24/62/44/572246244.db2.gz HZELURLJXRHJRR-QFIPXVFZSA-N 1 1 565.615 5.744 50 0 KKAAMO Cc1cccc(C)c1NC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247855528 572246540 /nfs/dbraw/zinc/24/65/40/572246540.db2.gz COWXHSMJWFTCHC-OAQYLSRUSA-N 1 1 517.471 6.256 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5ccc(C)cc5C)CC4)C3)nc3ccccc32)cc1 ZINC000247860858 572246571 /nfs/dbraw/zinc/24/65/71/572246571.db2.gz GAXQRHMKVHAPHF-NDEPHWFRSA-N 1 1 551.735 5.271 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c(C)c1 ZINC000247865083 572246715 /nfs/dbraw/zinc/24/67/15/572246715.db2.gz IHHFWVCVXULHBX-HHHXNRCGSA-N 1 1 556.154 5.916 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)N1CCN(c2ccccc2Cl)CC1 ZINC000247865888 572246870 /nfs/dbraw/zinc/24/68/70/572246870.db2.gz ONRYUQDCXGUZPW-UHFFFAOYSA-N 1 1 592.969 6.002 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(F)cc2)C1)N1CCN(c2ccccc2C(F)(F)F)CC1 ZINC000247871051 572247059 /nfs/dbraw/zinc/24/70/59/572247059.db2.gz QUAFEYCFHWNILI-JOCHJYFZSA-N 1 1 565.615 5.744 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000247867653 572247274 /nfs/dbraw/zinc/24/72/74/572247274.db2.gz PFIDVHUPIFQJFH-JOCHJYFZSA-N 1 1 626.521 6.368 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000247874543 572247550 /nfs/dbraw/zinc/24/75/50/572247550.db2.gz SKAMYPCUDVRBKN-SSEXGKCCSA-N 1 1 648.649 6.934 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4cccc(Br)c4)CC3)CC2)c(C)c1 ZINC000247875559 572247561 /nfs/dbraw/zinc/24/75/61/572247561.db2.gz OCQARCXMDDZOBP-UHFFFAOYSA-N 1 1 586.578 5.966 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5cc(Cl)ccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247874517 572247612 /nfs/dbraw/zinc/24/76/12/572247612.db2.gz GMGMJUPYEJPEDF-DEOSSOPVSA-N 1 1 592.571 5.961 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)NCCc4ccc(Cl)cc4)C3)nc3ccccc32)cc1 ZINC000247878481 572247767 /nfs/dbraw/zinc/24/77/67/572247767.db2.gz IBVMIDJIPGWYKT-XMMPIXPASA-N 1 1 517.073 5.318 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N(C1CCCCC1)C1CCCCC1 ZINC000247879039 572247939 /nfs/dbraw/zinc/24/79/39/572247939.db2.gz VBTOWVZIGGQYLA-DEOSSOPVSA-N 1 1 577.611 7.494 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)N1CCN(c2ccccc2Cl)CC1 ZINC000247876863 572247959 /nfs/dbraw/zinc/24/79/59/572247959.db2.gz UEEQZNWSJNVYFT-UHFFFAOYSA-N 1 1 592.969 6.002 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5cccc(Cl)c5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247880058 572247986 /nfs/dbraw/zinc/24/79/86/572247986.db2.gz IVNMSAAPOHKQCN-DEOSSOPVSA-N 1 1 592.571 5.961 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccc(F)c(Cl)c2)CC1 ZINC000247879914 572248009 /nfs/dbraw/zinc/24/80/09/572248009.db2.gz VGURLSAZYRXRIZ-NRFANRHFSA-N 1 1 610.959 6.141 50 0 KKAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2ccc(F)cc2F)CC1 ZINC000247879979 572248050 /nfs/dbraw/zinc/24/80/50/572248050.db2.gz VIBOHMWTFSFTAP-OAQYLSRUSA-N 1 1 594.504 5.627 50 0 KKAAMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000247883233 572248246 /nfs/dbraw/zinc/24/82/46/572248246.db2.gz CPRRMBIJIPEBQQ-JOCHJYFZSA-N 1 1 517.471 5.625 50 0 KKAAMO Cc1ccc(C)c(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4ccc(Br)cc4)CC3)CC2)c1 ZINC000247889907 572248264 /nfs/dbraw/zinc/24/82/64/572248264.db2.gz VAVNETDSRDLESE-UHFFFAOYSA-N 1 1 586.578 5.966 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)CC3)nc3ccccc32)cc1 ZINC000247883593 572248335 /nfs/dbraw/zinc/24/83/35/572248335.db2.gz JWXUIECCUFNCGY-UHFFFAOYSA-N 1 1 558.126 5.307 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccc(Cl)cc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247893381 572248629 /nfs/dbraw/zinc/24/86/29/572248629.db2.gz NKLBMGNVHHFVTA-XMMPIXPASA-N 1 1 592.571 5.961 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000247911210 572249280 /nfs/dbraw/zinc/24/92/80/572249280.db2.gz LHADHGYKPBKRIF-NWDGNEFISA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@]23C(=O)Nc2ccccc23)cc1 ZINC000247911210 572249283 /nfs/dbraw/zinc/24/92/83/572249283.db2.gz LHADHGYKPBKRIF-NWDGNEFISA-N 1 1 556.062 5.452 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5ccc(C)cc5C)CC4)CC3)nc3ccccc32)cc1 ZINC000247915185 572249322 /nfs/dbraw/zinc/24/93/22/572249322.db2.gz VWKOCIYMAGDLAX-UHFFFAOYSA-N 1 1 551.735 5.271 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)c(Cl)c4)C3)nc3ccccc32)cc1 ZINC000247918282 572249562 /nfs/dbraw/zinc/24/95/62/572249562.db2.gz XBFHCVVMGIAONB-FQEVSTJZSA-N 1 1 523.464 6.251 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)Nc4ccc(Cl)c(Cl)c4)C3)nc3ccccc32)cc1 ZINC000247918282 572249565 /nfs/dbraw/zinc/24/95/65/572249565.db2.gz XBFHCVVMGIAONB-FQEVSTJZSA-N 1 1 523.464 6.251 50 0 KKAAMO O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955204 572250634 /nfs/dbraw/zinc/25/06/34/572250634.db2.gz VEFWKOOXXOMUFV-OAQYLSRUSA-N 1 1 594.518 5.668 50 0 KKAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000247955208 572250678 /nfs/dbraw/zinc/25/06/78/572250678.db2.gz VEGXQLXXALXIEM-JOCHJYFZSA-N 1 1 594.518 5.668 50 0 KKAAMO O=C(c1ccccc1Cl)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000247961124 572250786 /nfs/dbraw/zinc/25/07/86/572250786.db2.gz XQWFUADVZLRHBE-QFIPXVFZSA-N 1 1 620.979 5.638 50 0 KKAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000247975226 572251166 /nfs/dbraw/zinc/25/11/66/572251166.db2.gz CHCUKDXHYSUCOW-FQEVSTJZSA-N 1 1 503.444 5.947 50 0 KKAAMO CCCCN(CCC)C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247972615 572251175 /nfs/dbraw/zinc/25/11/75/572251175.db2.gz DOSXXQFLPXVCMN-NRFANRHFSA-N 1 1 511.508 6.039 50 0 KKAAMO CC(C)N(C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000247974597 572251195 /nfs/dbraw/zinc/25/11/95/572251195.db2.gz FIKKHZGZLLGDJB-HOFKKMOUSA-N 1 1 533.009 7.264 50 0 KKAAMO CCCCN(C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)C(C)C ZINC000247983612 572251316 /nfs/dbraw/zinc/25/13/16/572251316.db2.gz IAVWZVKSBABHDI-NRFANRHFSA-N 1 1 511.508 6.037 50 0 KKAAMO Cc1ccccc1NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247984211 572251581 /nfs/dbraw/zinc/25/15/81/572251581.db2.gz INALBVDJPDAESI-UHFFFAOYSA-N 1 1 503.444 5.947 50 0 KKAAMO Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000247992671 572251653 /nfs/dbraw/zinc/25/16/53/572251653.db2.gz NJPXBWJLONIXDD-FQEVSTJZSA-N 1 1 503.444 5.947 50 0 KKAAMO CCCCN(C(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)C(C)C ZINC000248000180 572251896 /nfs/dbraw/zinc/25/18/96/572251896.db2.gz NSFXQARQXVVYBR-UHFFFAOYSA-N 1 1 511.508 6.037 50 0 KKAAMO CC[C@H](C(=O)N1CCCN(C(=O)[C@H](C)[N@H+]2CCc3sccc3[C@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000248104803 572253603 /nfs/dbraw/zinc/25/36/03/572253603.db2.gz QLBLTERBNPVWOT-CXVLVDDRSA-N 1 1 529.750 5.647 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCO3)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000248104977 572253612 /nfs/dbraw/zinc/25/36/12/572253612.db2.gz QLKVBXMNISXUHE-FREGXXQWSA-N 1 1 528.668 6.554 50 0 KKAAMO Cc1cccc(CCNC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000248109817 572253734 /nfs/dbraw/zinc/25/37/34/572253734.db2.gz QKNKDAPOYZFZPI-HSZRJFAPSA-N 1 1 531.498 5.667 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000248120597 572254286 /nfs/dbraw/zinc/25/42/86/572254286.db2.gz RQMZNPBKOQAELH-ZYQDXHPFSA-N 1 1 517.507 5.168 50 0 KKAAMO Cc1ccc(N2C(=O)[C@H]3[C@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)cc1 ZINC000248120597 572254287 /nfs/dbraw/zinc/25/42/87/572254287.db2.gz RQMZNPBKOQAELH-ZYQDXHPFSA-N 1 1 517.507 5.168 50 0 KKAAMO CCc1cccc2c([C@H](CC(=O)NCCC[N@H+]3CCCC[C@H]3C)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000248130670 572254571 /nfs/dbraw/zinc/25/45/71/572254571.db2.gz YKFYHRMKBFWPNF-ZORMNXRFSA-N 1 1 551.775 7.919 50 0 KKAAMO CCc1cccc2c([C@@H](CC(=O)NCCC[N@H+]3CCCC[C@H]3C)c3cccc(Oc4ccccc4)c3)cn(CC)c21 ZINC000248130666 572254643 /nfs/dbraw/zinc/25/46/43/572254643.db2.gz YKFYHRMKBFWPNF-SYBRLPANSA-N 1 1 551.775 7.919 50 0 KKAAMO COc1cccc(C(=O)[C@@H]2C(=C(O)c3cccc(OC)c3)[C@]3(C(=O)Nc4ccccc43)[C@@H]3c4ccccc4C=CN23)c1 ZINC000248146370 572255481 /nfs/dbraw/zinc/25/54/81/572255481.db2.gz STOAPNMOTXHAIM-ZGFYEYRMSA-N 1 1 556.618 5.686 50 0 KKAAMO COc1ccc(C(O)=C2[C@H](C(=O)c3ccccc3OC)N3C=Cc4ccccc4[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1OC ZINC000248146192 572255496 /nfs/dbraw/zinc/25/54/96/572255496.db2.gz SJPVAXGBPOKESA-HXLKRRFRSA-N 1 1 586.644 5.694 50 0 KKAAMO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000248152177 572255805 /nfs/dbraw/zinc/25/58/05/572255805.db2.gz KHVUPPGFGWXEDT-JOCHJYFZSA-N 1 1 517.471 5.625 50 0 KKAAMO CC[C@@H]1C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@H]1C[C@H]1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccc(OCC(C)C)cc1 ZINC000248156204 572255930 /nfs/dbraw/zinc/25/59/30/572255930.db2.gz IOJSFOKYYCHIOW-VRGUBSQPSA-N 1 1 656.864 7.531 50 0 KKAAMO COc1ccccc1N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)CC1 ZINC000248156963 572255991 /nfs/dbraw/zinc/25/59/91/572255991.db2.gz ZUIIYMKAKGSURQ-QHCPKHFHSA-N 1 1 588.550 5.357 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5cccc(C)c5C)CC4)C3)nc3ccccc32)cc1 ZINC000248162332 572256096 /nfs/dbraw/zinc/25/60/96/572256096.db2.gz POIHUFQOYQPEKW-NDEPHWFRSA-N 1 1 551.735 5.271 50 0 KKAAMO Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1C ZINC000248174010 572256256 /nfs/dbraw/zinc/25/62/56/572256256.db2.gz XYKLEBQEQQPAMU-OAQYLSRUSA-N 1 1 517.471 6.256 50 0 KKAAMO CC(C)CN(C[C@@H]1C[N@@H+](Cc2ccsc2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248210357 572256661 /nfs/dbraw/zinc/25/66/61/572256661.db2.gz CWSPZNYWOHJHMV-OZXSUGGESA-N 1 1 518.620 6.920 50 0 KKAAMO C[C@H](NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1)c1ccccc1 ZINC000248254214 572257251 /nfs/dbraw/zinc/25/72/51/572257251.db2.gz NKOLXEPLDBMQRT-FQEVSTJZSA-N 1 1 517.471 5.877 50 0 KKAAMO CC(C)CN(C[C@H]1C[N@@H+](Cc2cccs2)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000248264795 572257463 /nfs/dbraw/zinc/25/74/63/572257463.db2.gz XKMMYWSSKCSTQC-GJZUVCINSA-N 1 1 518.620 6.920 50 0 KKAAMO CCc1cccc2c1NC(=O)[C@@]21[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000252006915 572259675 /nfs/dbraw/zinc/25/96/75/572259675.db2.gz PJAKLDZWFIABNU-PEMRLZPOSA-N 1 1 556.460 5.026 50 0 KKAAMO CCc1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000252004459 572259684 /nfs/dbraw/zinc/25/96/84/572259684.db2.gz NXRGIXMZPUYBHY-NRFANRHFSA-N 1 1 517.471 6.201 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4cccc(Br)c4)CC3)CC2)cc1 ZINC000252265667 572260042 /nfs/dbraw/zinc/26/00/42/572260042.db2.gz NZMJKBIFIWEDJI-UHFFFAOYSA-N 1 1 600.605 6.301 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000253389005 572283091 /nfs/dbraw/zinc/28/30/91/572283091.db2.gz UVIVSZSWSGRXKL-WVXBCFDCSA-N 1 1 531.722 5.248 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)C[C@H]2C)cc1 ZINC000253389005 572283093 /nfs/dbraw/zinc/28/30/93/572283093.db2.gz UVIVSZSWSGRXKL-WVXBCFDCSA-N 1 1 531.722 5.248 50 0 KKAAMO C[C@H]1CN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000253388994 572283157 /nfs/dbraw/zinc/28/31/57/572283157.db2.gz RMQKOUFLMOVVOQ-AFMDSPMNSA-N 1 1 509.075 5.114 50 0 KKAAMO C[C@H]1CN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2ccccc2)CCN1C(=O)Nc1cccc(Cl)c1 ZINC000253388994 572283158 /nfs/dbraw/zinc/28/31/58/572283158.db2.gz RMQKOUFLMOVVOQ-AFMDSPMNSA-N 1 1 509.075 5.114 50 0 KKAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000253406830 572286420 /nfs/dbraw/zinc/28/64/20/572286420.db2.gz JIBXSOSQHABCLS-NTGKZJMKSA-N 1 1 528.697 5.085 50 0 KKAAMO CCCc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000253607358 572300872 /nfs/dbraw/zinc/30/08/72/572300872.db2.gz OYMBXIUPDKGUPR-QFIPXVFZSA-N 1 1 531.498 6.591 50 0 KKAAMO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000253607762 572301032 /nfs/dbraw/zinc/30/10/32/572301032.db2.gz ZGDPHEQNBVNNQH-QHCPKHFHSA-N 1 1 501.074 6.712 50 0 KKAAMO CC(C)c1ccccc1NC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000253607762 572301033 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COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)CCCCCN1C(=O)c2ccccc2N2C(=O)c3c(ccc(OC)c3OC)[C@@H]21 ZINC000409414698 1069848114 /nfs/dbraw/zinc/84/81/14/1069848114.db2.gz UTDYDYSHGQIBTN-JRIPWJPVSA-N 1 1 632.802 5.119 50 0 KKAAMO O=C(c1ccc(-n2cccn2)cc1)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000102575552 1069859715 /nfs/dbraw/zinc/85/97/15/1069859715.db2.gz NXZLXQQJKQPQCQ-MHZLTWQESA-N 1 1 553.682 5.265 50 0 KKAAMO COc1ccc(/C=C/C(=O)N2CCC[C@H](COc3cccc(C[NH+]4CCN(c5ccccc5F)CC4)c3)C2)cc1 ZINC000102701074 1069863733 /nfs/dbraw/zinc/86/37/33/1069863733.db2.gz NPQXVTKHSFORND-QLQFBOQQSA-N 1 1 543.683 5.487 50 0 KKAAMO C[N@@H+](Cc1cccc(OCCN2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)c1)Cc1cccc2ccccc21 ZINC000102709414 1069865403 /nfs/dbraw/zinc/86/54/03/1069865403.db2.gz NOQMCLMOJOCLQS-UHFFFAOYSA-N 1 1 537.660 5.037 50 0 KKAAMO COc1cc2c(cc1OC)C[N@H+](Cc1cc(-c3cccs3)ccc1OCC(=O)Nc1ccc3c(c1)COC3)CC2 ZINC000102710395 1069865658 /nfs/dbraw/zinc/86/56/58/1069865658.db2.gz BLSDBYAHXONYPW-UHFFFAOYSA-N 1 1 556.684 6.038 50 0 KKAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1cc(-c3cccs3)ccc1OCC(=O)Nc1ccc3c(c1)COC3)CC2 ZINC000102710395 1069865678 /nfs/dbraw/zinc/86/56/78/1069865678.db2.gz BLSDBYAHXONYPW-UHFFFAOYSA-N 1 1 556.684 6.038 50 0 KKAAMO CC[n+]1c(C=C2C=C3C=C(N4CCOCCOCCOCCOCC4)CC[C@H]3CC2)sc2ccccc21 ZINC000685944688 1070945639 /nfs/dbraw/zinc/94/56/39/1070945639.db2.gz SFVWBCYLDFUMHJ-RUZDIDTESA-N 1 1 525.735 5.050 50 0 KKAAMO CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)c3cccs3)N3C=Cc4ccccc4[C@@H]3[C@]23C(=O)Nc2ccccc23)cc1 ZINC000101343957 1070957508 /nfs/dbraw/zinc/95/75/08/1070957508.db2.gz SLSLNGFHWOQONH-KHLUAOTOSA-N 1 1 544.676 6.682 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H](C(=O)c3ccccn3)N3C=Cc4ccccc4[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000101368973 1070957587 /nfs/dbraw/zinc/95/75/87/1070957587.db2.gz NZTUBLJDNCPHMP-CXNUKBDRSA-N 1 1 555.634 5.852 50 0 KKAAMO O=C(CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](CN1C(=O)c1cccnc1)[C@@H]23)N1CCC(Cc2ccccc2)CC1 ZINC000257177755 1070973431 /nfs/dbraw/zinc/97/34/31/1070973431.db2.gz BHQVZHMSGSSMEP-TWXNZYBRSA-N 1 1 528.741 5.048 50 0 KKAAMO COc1ccc(Cl)cc1N=[P@]1(N2CC[NH+](C)CC2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 ZINC000102939951 1070977843 /nfs/dbraw/zinc/97/78/43/1070977843.db2.gz DFICBGRZGLMMSC-WGEPFGTKSA-N 1 1 575.097 7.404 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@@H]1N2C(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1Cl ZINC000195529394 1071082379 /nfs/dbraw/zinc/08/23/79/1071082379.db2.gz LRGYBFLJIOVOAW-JKUGMWFDSA-N 1 1 724.327 6.654 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccc(C)cc3[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000195529394 1071082390 /nfs/dbraw/zinc/08/23/90/1071082390.db2.gz LRGYBFLJIOVOAW-JKUGMWFDSA-N 1 1 724.327 6.654 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccc(C)cc3[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000195529394 1071082401 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ZINC000150517381 1071327757 /nfs/dbraw/zinc/32/77/57/1071327757.db2.gz QMKYFYXUFCSLJR-GHMVGRGESA-N 1 1 658.515 8.393 50 0 KKAAMO N#CC(C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1)=c1sc(=Cc2ccc(C(F)(F)F)cc2)c(=O)n1-c1ccc(F)cc1 ZINC000254306602 1072846804 /nfs/dbraw/zinc/84/68/04/1072846804.db2.gz GSUSMLHUAMKRMT-UHFFFAOYSA-N 1 1 668.716 5.494 50 0 KKAAMO Cc1nc(C(=O)N2CCCC[C@H]2CCOc2cccc(C[N@H+](C)Cc3cccc4cccnc43)c2)cs1 ZINC000014990418 1072894481 /nfs/dbraw/zinc/89/44/81/1072894481.db2.gz RLBMLHWQAYNIRC-SANMLTNESA-N 1 1 514.695 6.096 50 0 KKAAMO C[C@H](c1cc(-c2ccccc2)n[nH]1)[N@@H+](C)Cc1cc2cc3c(cc2n(Cc2cccc(F)c2)c1=O)OCO3 ZINC000015072614 1072896923 /nfs/dbraw/zinc/89/69/23/1072896923.db2.gz GBLRPVFQOYAYBV-LJQANCHMSA-N 1 1 510.569 5.501 50 0 KKAAMO COc1ccc(CNC(=O)COc2ccc(-c3ccc4c(c3)OCO4)cc2C[N@H+]2CCC[C@@H](C)C2)c(OC)c1 ZINC000019842435 1072897484 /nfs/dbraw/zinc/89/74/84/1072897484.db2.gz YMMLPGYLCXULKZ-OAQYLSRUSA-N 1 1 532.637 5.027 50 0 KKAAMO O=C(/C=C/c1cccs1)N1CCC[C@H](COc2cccc(C[NH+]3CCN(c4ccccc4F)CC3)c2)C1 ZINC000055342306 1072899857 /nfs/dbraw/zinc/89/98/57/1072899857.db2.gz DMDVZYKPIQXSPA-SDQWYYNMSA-N 1 1 519.686 5.540 50 0 KKAAMO COc1ccc(OC)c2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@H+](Cc3ccc5nccnc5c3)C4)nc12 ZINC000055414484 1072900703 /nfs/dbraw/zinc/90/07/03/1072900703.db2.gz SWAKHBQYMKJUCZ-UHFFFAOYSA-N 1 1 522.605 5.574 50 0 KKAAMO COc1ccc(OC)c2c(C)cc(-c3cc4c(c(OC)c3)OCC[N@@H+](Cc3ccc5nccnc5c3)C4)nc12 ZINC000055414484 1072900710 /nfs/dbraw/zinc/90/07/10/1072900710.db2.gz SWAKHBQYMKJUCZ-UHFFFAOYSA-N 1 1 522.605 5.574 50 0 KKAAMO C[C@@H]1CC[C@@H](c2ccoc2)[NH+]2[C@@H]1CC[C@@]1(CS[C@]3(C1)CC[C@H]1[C@H](C)CC[C@@H](c4ccoc4)[N@H+]1[C@@H]3O)[C@@H]2O ZINC001501058421 1072922439 /nfs/dbraw/zinc/92/24/39/1072922439.db2.gz DYEOLAMWQVWASS-DFXIFZGQSA-N 1 1 526.743 5.943 50 0 KKAAMO C[C@@H]1CC[C@@H](c2ccoc2)N2[C@@H]1CC[C@@]1(CS[C@]3(C1)CC[C@H]1[C@H](C)CC[C@@H](c4ccoc4)[N@@H+]1[C@@H]3O)[C@@H]2O ZINC001501058421 1072922443 /nfs/dbraw/zinc/92/24/43/1072922443.db2.gz DYEOLAMWQVWASS-DFXIFZGQSA-N 1 1 526.743 5.943 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(C)cc2)cc1Br ZINC000000635957 551506376 /nfs/dbraw/zinc/50/63/76/551506376.db2.gz MWJMTXQSZQDKQV-JWQCQUIFSA-N 1 1 501.384 5.570 50 0 KKAAMO COc1ccc(OC)c(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3ccccc3n2)c1 ZINC000000648609 551510142 /nfs/dbraw/zinc/51/01/42/551510142.db2.gz NINZYCYRJIWBFT-UHFFFAOYSA-N 1 1 543.667 6.466 50 0 KKAAMO Cc1cc(C)nc(SC2=C(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)C(=O)N(Cc3ccccc3)C2=O)n1 ZINC000000959913 551590358 /nfs/dbraw/zinc/59/03/58/551590358.db2.gz ATYHHZSJGDZHSM-UHFFFAOYSA-N 1 1 575.738 5.373 50 0 KKAAMO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc3c(c1)OCO3)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001214203 551626045 /nfs/dbraw/zinc/62/60/45/551626045.db2.gz WIMZUKKDKJOVEK-CUBQBAPOSA-N 1 1 589.618 5.820 50 0 KKAAMO O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000001213982 551626074 /nfs/dbraw/zinc/62/60/74/551626074.db2.gz XMLMKEOSWJGRHW-RDGATRHJSA-N 1 1 551.638 6.152 50 0 KKAAMO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)c(C)c4)c(C(F)(F)F)oc3c2C[NH+]2CCCCCC2)cc1 ZINC000001785125 551699174 /nfs/dbraw/zinc/69/91/74/551699174.db2.gz PNJNZTPJSUFFHS-UHFFFAOYSA-N 1 1 595.614 7.825 50 0 KKAAMO COc1ccccc1C(=O)Nc1c(Br)cc(Br)cc1C[N@@H+](C)C1CCCCC1 ZINC000002088295 551757966 /nfs/dbraw/zinc/75/79/66/551757966.db2.gz VPDXOYCWTCYASS-UHFFFAOYSA-N 1 1 510.270 6.237 50 0 KKAAMO Fc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccc(Br)c2)cc1 ZINC000002246608 551799865 /nfs/dbraw/zinc/79/98/65/551799865.db2.gz BFIJFPAWGUSNGC-PKTZIBPZSA-N 1 1 509.766 6.046 50 0 KKAAMO Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(Br)cc2)N2NC=NC2=[NH+]3)cc1 ZINC000002248967 551800883 /nfs/dbraw/zinc/80/08/83/551800883.db2.gz YOXKRFIYMSUROM-DNQXCXABSA-N 1 1 505.803 6.215 50 0 KKAAMO COc1ccc(Br)cc1[C@@H]1Oc2ccccc2C2=C1[C@H](c1ccc(C)cc1)N1NC=NC1=[NH+]2 ZINC000002253641 551802133 /nfs/dbraw/zinc/80/21/33/551802133.db2.gz SOMGNFARYUPMGU-DQEYMECFSA-N 1 1 501.384 5.570 50 0 KKAAMO Cc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Br)cc2)cc1 ZINC000002257585 551803242 /nfs/dbraw/zinc/80/32/42/551803242.db2.gz BWEGCPNWTAVCJH-DNQXCXABSA-N 1 1 505.803 6.215 50 0 KKAAMO CC[NH+](CC)c1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2ccccc2)cc1 ZINC000002588209 552131606 /nfs/dbraw/zinc/13/16/06/552131606.db2.gz HIXARKMATLYIHH-JGCGQSQUSA-N 1 1 551.698 7.822 50 0 KKAAMO Clc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)CC2)c1 ZINC000002714557 552161199 /nfs/dbraw/zinc/16/11/99/552161199.db2.gz UDJZWAGPDYDBEV-UHFFFAOYSA-N 1 1 544.884 6.830 50 0 KKAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(OC)c(Br)c2)cc1 ZINC000002916744 552217766 /nfs/dbraw/zinc/21/77/66/552217766.db2.gz QXOZBEWPFLTWJR-RPBOFIJWSA-N 1 1 517.383 5.271 50 0 KKAAMO COc1ccc2c(c1)O[C@H](c1ccc(Br)cc1)C1=C2[NH+]=C2N=CNN2[C@H]1c1ccc(F)cc1 ZINC000002917911 552218434 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/nfs/dbraw/zinc/27/98/36/552279836.db2.gz YZYBCAYFXYUGAB-KOEQRZSOSA-N 1 1 536.495 5.177 50 0 KKAAMO CC1CC[NH+](Cc2nc3sc4c(c3c(Oc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)CCC4)CC1 ZINC000003340217 552362773 /nfs/dbraw/zinc/36/27/73/552362773.db2.gz VSFICJWEXUNNML-UHFFFAOYSA-N 1 1 515.523 7.242 50 0 KKAAMO COc1ccc([C@@H]2[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 ZINC000003661425 552407402 /nfs/dbraw/zinc/40/74/02/552407402.db2.gz YMRYBUIAFGPVQP-JHOUSYSJSA-N 1 1 563.673 5.660 50 0 KKAAMO Cc1c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c2ccccc2n1Cc1ccccc1 ZINC000004125163 552442190 /nfs/dbraw/zinc/44/21/90/552442190.db2.gz LFFPYDNNFQYTSA-PMERELPUSA-N 1 1 518.686 7.047 50 0 KKAAMO Cc1c([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c2ccccc2n1Cc1ccccc1 ZINC000004125163 552442191 /nfs/dbraw/zinc/44/21/91/552442191.db2.gz LFFPYDNNFQYTSA-PMERELPUSA-N 1 1 518.686 7.047 50 0 KKAAMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@]12c1[nH]c3ccccc3c1CCN2C(=O)C(c1ccccc1)c1ccccc1 ZINC000004489049 552461820 /nfs/dbraw/zinc/46/18/20/552461820.db2.gz WFVVMUOCJWVLFU-GDYKHXCGSA-N 1 1 597.759 6.665 50 0 KKAAMO Cc1cc(C)c(S(=O)(=O)N(CC[NH+]2CCCC2)CC(=O)N(Cc2cccs2)Cc2ccc(F)cc2)c(C)c1 ZINC000006033913 552520701 /nfs/dbraw/zinc/52/07/01/552520701.db2.gz PSWDZVMUQYAZKV-UHFFFAOYSA-N 1 1 557.757 5.128 50 0 KKAAMO Clc1ccc(N=C(NCCCNC(=[NH+]c2ccc(Cl)cc2)C(c2ccccc2)c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 ZINC000008427157 553019575 /nfs/dbraw/zinc/01/95/75/553019575.db2.gz DLRVIONCADASLN-UHFFFAOYSA-N 1 1 681.711 10.921 50 0 KKAAMO O=C(c1nn2c(nc(-c3ccco3)cc2C(F)(F)F)c1Br)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008443625 553047265 /nfs/dbraw/zinc/04/72/65/553047265.db2.gz NTNAJDOTBLISDN-UHFFFAOYSA-N 1 1 610.434 6.318 50 0 KKAAMO O=C1C2[C@H](c3ccc(Cl)cc3)N[C@@H](c3ccc(Cl)cc3)C1[C@@H](c1ccc(Cl)cc1)[NH2+][C@@H]2c1ccc(Cl)cc1 ZINC000008444468 553050365 /nfs/dbraw/zinc/05/03/65/553050365.db2.gz UMRURHBFKPCEAV-GEKRJRFOSA-N 1 1 582.358 8.573 50 0 KKAAMO O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Br)cc1)N2)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008444494 553050632 /nfs/dbraw/zinc/05/06/32/553050632.db2.gz OOWMZIXBQOPRRY-XNMGPUDCSA-N 1 1 624.505 6.853 50 0 KKAAMO Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3N2)cc1 ZINC000008444703 553051212 /nfs/dbraw/zinc/05/12/12/553051212.db2.gz PEAHKDXESGNARZ-WUFINQPMSA-N 1 1 559.636 6.399 50 0 KKAAMO O=C(c1cc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2n1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000008456916 553074968 /nfs/dbraw/zinc/07/49/68/553074968.db2.gz MPMNRVQSFICKKA-UHFFFAOYSA-N 1 1 620.473 6.725 50 0 KKAAMO COc1ccc(Nc2cc(C(=O)NCCC[NH+]3CCN(c4ccccc4F)CC3)c3ccccc3n2)c(OC)c1 ZINC000008595331 553088751 /nfs/dbraw/zinc/08/87/51/553088751.db2.gz AUQXOOLYTXAZOD-UHFFFAOYSA-N 1 1 543.643 5.077 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O ZINC000008598285 553094798 /nfs/dbraw/zinc/09/47/98/553094798.db2.gz OYMYXBUFVVVRLL-VWLOTQADSA-N 1 1 545.705 5.064 50 0 KKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@H+]2CCCC[C@H]2CC)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008918644 553188423 /nfs/dbraw/zinc/18/84/23/553188423.db2.gz HOAQCNNBBJKTLI-FGZHOGPDSA-N 1 1 509.760 6.917 50 0 KKAAMO CCc1ccccc1NC(=O)c1c(NC(=O)C[N@@H+]2CCCC[C@H]2CC)sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000008918644 553188427 /nfs/dbraw/zinc/18/84/27/553188427.db2.gz HOAQCNNBBJKTLI-FGZHOGPDSA-N 1 1 509.760 6.917 50 0 KKAAMO COc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1cccc2ccccc21 ZINC000008923137 553190218 /nfs/dbraw/zinc/19/02/18/553190218.db2.gz SPJXXTJDQBPIJC-HHHXNRCGSA-N 1 1 527.646 6.325 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000009272686 553231729 /nfs/dbraw/zinc/23/17/29/553231729.db2.gz ISDGJVTYLLHYHE-NRFANRHFSA-N 1 1 518.422 5.125 50 0 KKAAMO COc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000009272686 553231731 /nfs/dbraw/zinc/23/17/31/553231731.db2.gz ISDGJVTYLLHYHE-NRFANRHFSA-N 1 1 518.422 5.125 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[N@@H+](Cc2ccco2)C2CCCC2)[C@H]1c1cccs1 ZINC000009433319 553263074 /nfs/dbraw/zinc/26/30/74/553263074.db2.gz NQXXNRNWPQCWOE-FQLXRVMXSA-N 1 1 533.738 6.229 50 0 KKAAMO O=C(NCC[N@@H+](Cc1ccco1)C1CCCC1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1 ZINC000009433691 553263315 /nfs/dbraw/zinc/26/33/15/553263315.db2.gz HPUUZLKCBMJUKJ-VMPREFPWSA-N 1 1 531.722 6.125 50 0 KKAAMO Cc1noc(C)c1CC(=O)N1CCCC[C@H]1CCOc1cccc(C[N@H+](C)Cc2cccc3cccnc32)c1 ZINC000011788595 553343075 /nfs/dbraw/zinc/34/30/75/553343075.db2.gz HOTBZHYHGFCUBJ-NDEPHWFRSA-N 1 1 526.681 5.864 50 0 KKAAMO Cc1cc(CNC(=O)COc2ccc(-c3csc4ccccc43)cc2C[N@H+](C)Cc2ccoc2)on1 ZINC000011815478 553343516 /nfs/dbraw/zinc/34/35/16/553343516.db2.gz GNDMIPXINODHBE-UHFFFAOYSA-N 1 1 501.608 5.785 50 0 KKAAMO Cc1cc(CNC(=O)COc2ccc(-c3csc4ccccc43)cc2C[N@@H+](C)Cc2ccoc2)on1 ZINC000011815478 553343517 /nfs/dbraw/zinc/34/35/17/553343517.db2.gz GNDMIPXINODHBE-UHFFFAOYSA-N 1 1 501.608 5.785 50 0 KKAAMO Cn1cc(C[N@@H+](C)Cc2ccc(OC3CCN(C(=O)[C@@H](c4ccccc4)C4CCCC4)CC3)cc2)cn1 ZINC000012219208 553354572 /nfs/dbraw/zinc/35/45/72/553354572.db2.gz RWWFCNGZERGFLC-PMERELPUSA-N 1 1 500.687 5.396 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000012629217 553405245 /nfs/dbraw/zinc/40/52/45/553405245.db2.gz FEIXBLRUGKQWAP-MOPGFXCFSA-N 1 1 527.731 5.839 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@@H](C)C3)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000012629217 553405246 /nfs/dbraw/zinc/40/52/46/553405246.db2.gz FEIXBLRUGKQWAP-MOPGFXCFSA-N 1 1 527.731 5.839 50 0 KKAAMO CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]([NH2+]Cc1ccc(OC)cc1)c1ccccc1 ZINC000012631444 553405666 /nfs/dbraw/zinc/40/56/66/553405666.db2.gz GIOUAVUGSSIGNS-SANMLTNESA-N 1 1 500.620 6.070 50 0 KKAAMO CCc1ccc(C[NH+]2CCN(C(=O)c3cc(-c4cccc(C)c4)nc4ccc(Br)cc43)CC2)cc1 ZINC000013320730 553458433 /nfs/dbraw/zinc/45/84/33/553458433.db2.gz OPKJJUUTZZVFIF-UHFFFAOYSA-N 1 1 528.494 6.493 50 0 KKAAMO COc1ccccc1-c1cc(C(F)(F)F)n2nc(C(=O)OC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(Cl)c2n1 ZINC000015319139 553531464 /nfs/dbraw/zinc/53/14/64/553531464.db2.gz YQUBJXHYUXOILP-YJBOKZPZSA-N 1 1 522.955 5.498 50 0 KKAAMO CCc1ccc(-c2nn3ccnc(N4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)c3c2C=O)cc1 ZINC000015829463 553537046 /nfs/dbraw/zinc/53/70/46/553537046.db2.gz QTWFRTYFACDCKG-UHFFFAOYSA-N 1 1 501.634 5.683 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[NH+]3CCC(C)CC3)sc3c2CC[C@H](C(C)(C)C)C3)c(OC)c1 ZINC000015946022 553544268 /nfs/dbraw/zinc/54/42/68/553544268.db2.gz UYRFEZVUDGNLDV-IBGZPJMESA-N 1 1 527.731 5.839 50 0 KKAAMO COc1c(Br)cc(Br)cc1[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C(C)C)C3 ZINC000015946334 553544378 /nfs/dbraw/zinc/54/43/78/553544378.db2.gz NERGRJNUWKEOSJ-KRWDZBQOSA-N 1 1 515.271 5.477 50 0 KKAAMO CCOc1ccc(NC(=O)c2c3c(sc2NC(=O)C[NH+]2CCCCCC2)C[C@@H](C(C)(C)C)CC3)cc1 ZINC000015946778 553544885 /nfs/dbraw/zinc/54/48/85/553544885.db2.gz MJZWQDQMEUWRNW-FQEVSTJZSA-N 1 1 511.732 6.365 50 0 KKAAMO COc1ccc(C(=O)Oc2ccc([C@H]3Nc4sc5c(c4C(=O)N3)CC[N@@H+](C(C)C)C5)cc2OC)cc1 ZINC000015947096 553545037 /nfs/dbraw/zinc/54/50/37/553545037.db2.gz AFDMQGTZOXGBRP-XMMPIXPASA-N 1 1 507.612 5.180 50 0 KKAAMO O=C(Oc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)c1)c1cccc(F)c1 ZINC000015947329 553545080 /nfs/dbraw/zinc/54/50/80/553545080.db2.gz UUVZIVUVGDMSQU-AREMUKBSSA-N 1 1 513.594 6.094 50 0 KKAAMO O=C(Oc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)c1)c1cccc(F)c1 ZINC000015947329 553545083 /nfs/dbraw/zinc/54/50/83/553545083.db2.gz UUVZIVUVGDMSQU-AREMUKBSSA-N 1 1 513.594 6.094 50 0 KKAAMO CCOc1cc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(C)cc1 ZINC000015947040 553545171 /nfs/dbraw/zinc/54/51/71/553545171.db2.gz KTCWACBAAIPOFX-VWLOTQADSA-N 1 1 505.640 5.870 50 0 KKAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@@H+]2CC(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000016010225 553550657 /nfs/dbraw/zinc/55/06/57/553550657.db2.gz MKOVLHWHLGIGET-KXUYPQTPSA-N 1 1 504.627 5.172 50 0 KKAAMO COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CC[N@H+]2CC(=O)Nc2cccc3ccccc32)cc(OC)c1OC ZINC000016010225 553550659 /nfs/dbraw/zinc/55/06/59/553550659.db2.gz MKOVLHWHLGIGET-KXUYPQTPSA-N 1 1 504.627 5.172 50 0 KKAAMO Cc1cccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(C)c(Cl)c3)C[C@H]2C)c1 ZINC000016712800 553575003 /nfs/dbraw/zinc/57/50/03/553575003.db2.gz KOBULNAFOLZVGJ-HSZRJFAPSA-N 1 1 508.069 7.073 50 0 KKAAMO O=C(C[NH+]1CCCCC1)N1N=C(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000017191581 553590088 /nfs/dbraw/zinc/59/00/88/553590088.db2.gz RPQBYVTWRDOWAF-MHZLTWQESA-N 1 1 525.052 6.012 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000017576547 553597900 /nfs/dbraw/zinc/59/79/00/553597900.db2.gz ABZPZZXSHCGVQI-WIOPSUGQSA-N 1 1 529.584 5.263 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000017576547 553597903 /nfs/dbraw/zinc/59/79/03/553597903.db2.gz ABZPZZXSHCGVQI-WIOPSUGQSA-N 1 1 529.584 5.263 50 0 KKAAMO CCCC[N@@H+](C)CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccccc3F)C2=O)cc1 ZINC000020179460 553603394 /nfs/dbraw/zinc/60/33/94/553603394.db2.gz IUUXTJBCQLNEAM-ANYBSYGZSA-N 1 1 531.697 6.358 50 0 KKAAMO COc1ccc(OC[C@H](O)C[N@@H+](CC(C)C)C[C@H](O)COc2ccc(OC)cc2C(C)(C)C)c(C(C)(C)C)c1 ZINC000018269915 553611862 /nfs/dbraw/zinc/61/18/62/553611862.db2.gz KQIWDZGCYSQECM-PSWAGMNNSA-N 1 1 545.761 5.436 50 0 KKAAMO CCCOC(=O)c1ccc2[nH]c(C)c(CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 ZINC000019793447 553616759 /nfs/dbraw/zinc/61/67/59/553616759.db2.gz MLCVAPKJUIBKAX-UHFFFAOYSA-N 1 1 509.650 5.311 50 0 KKAAMO CCc1cc([C@H](c2ccccc2F)N2CC[NH+](Cc3ccccc3)CC2)c(NC(=O)c2ccccc2)s1 ZINC000019880736 553629428 /nfs/dbraw/zinc/62/94/28/553629428.db2.gz DRXSPALBLUUUFL-LJAQVGFWSA-N 1 1 513.682 6.609 50 0 KKAAMO O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020283330 553631688 /nfs/dbraw/zinc/63/16/88/553631688.db2.gz BEHABYVUWUNROS-QZQOTICOSA-N 1 1 501.630 5.886 50 0 KKAAMO Clc1ccc([C@H](c2ccccc2)[NH+]2CCN(c3ncnc4c3ncn4-c3ccc(Cl)cc3)CC2)cc1 ZINC000019926016 553633768 /nfs/dbraw/zinc/63/37/68/553633768.db2.gz UUSUGVQTNMEPAS-SANMLTNESA-N 1 1 515.448 6.034 50 0 KKAAMO O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1Cc3ccccc3C[N@H+]1[C@@H]2c1ccc(Br)cc1 ZINC000020326662 553638838 /nfs/dbraw/zinc/63/88/38/553638838.db2.gz ZERLQXGGLHJKQZ-MOUTVQLLSA-N 1 1 507.815 5.390 50 0 KKAAMO CC(C)CC(=O)NC(=S)Nc1ccccc1C(=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020347236 553640073 /nfs/dbraw/zinc/64/00/73/553640073.db2.gz AXJYJJBJOMLXHH-UHFFFAOYSA-N 1 1 514.695 5.093 50 0 KKAAMO C[N@@H+](CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 ZINC000072173084 553645363 /nfs/dbraw/zinc/64/53/63/553645363.db2.gz WMPHIQFJVGHIAS-UHFFFAOYSA-N 1 1 545.705 5.064 50 0 KKAAMO CC1(C)CCc2c(cc(OCC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)c3c(-c4ccccc4)cc(=O)oc23)O1 ZINC000079189489 553667425 /nfs/dbraw/zinc/66/74/25/553667425.db2.gz SYMGSGWGEWOZFB-WIOPSUGQSA-N 1 1 530.665 5.323 50 0 biogenic KKAAMO COc1ccc([C@@H]2[C@H](C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)c3ccccc3C(=O)N2C2CCCCC2)cc1 ZINC000020104135 553688170 /nfs/dbraw/zinc/68/81/70/553688170.db2.gz HICHITIOVVNYNE-RPTRCYQFSA-N 1 1 531.741 5.793 50 0 KKAAMO CC(=O)Nc1cc(C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)ccc1Sc1ccc(C)cc1 ZINC000020685618 553688491 /nfs/dbraw/zinc/68/84/91/553688491.db2.gz YVHHVFVFNPWZOS-UHFFFAOYSA-N 1 1 516.711 5.042 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)c1ccccc1)[C@@H](c1ccc(F)cc1)C[N@H+]2C ZINC000020685664 553688962 /nfs/dbraw/zinc/68/89/62/553688962.db2.gz MCPWGYMZINJRRH-DPJKJRSDSA-N 1 1 504.605 6.105 50 0 KKAAMO Cc1ccccc1CN1c2ccccc2[C@@]2(C1=O)[C@H](C(=O)c1ccccc1)[C@@H](c1ccc(F)cc1)C[N@@H+]2C ZINC000020685664 553688964 /nfs/dbraw/zinc/68/89/64/553688964.db2.gz MCPWGYMZINJRRH-DPJKJRSDSA-N 1 1 504.605 6.105 50 0 KKAAMO CC(C)[N@@H+](CCCNC(=O)CN1C(=O)/C(=C/c2ccccc2F)Sc2ccccc21)Cc1ccccc1 ZINC000020728017 553690934 /nfs/dbraw/zinc/69/09/34/553690934.db2.gz WACQMAUHOCIFBR-USHMODERSA-N 1 1 517.670 5.722 50 0 KKAAMO CCCC[N@@H+](CC)CCCNC(=O)CN1C(=O)/C(=C/c2ccc(C(F)(F)F)cc2)Sc2ccccc21 ZINC000020728216 553691189 /nfs/dbraw/zinc/69/11/89/553691189.db2.gz JMMZBKWSCKUTSU-MOHJPFBDSA-N 1 1 519.633 5.814 50 0 KKAAMO CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1C ZINC000020760324 553695897 /nfs/dbraw/zinc/69/58/97/553695897.db2.gz QDBHHMBRQMLDFH-UHFFFAOYSA-N 1 1 521.661 5.574 50 0 KKAAMO Fc1ccccc1[C@H](c1nnc(-c2ccccc2)o1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020988788 553705303 /nfs/dbraw/zinc/70/53/03/553705303.db2.gz ZCGCXOWXYWPMDY-SSEXGKCCSA-N 1 1 504.609 6.372 50 0 KKAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2nc3ccccc3n2Cc2ccccc2C)CC1 ZINC000021162958 553708996 /nfs/dbraw/zinc/70/89/96/553708996.db2.gz VFNCNNXEBYUUKP-MHZLTWQESA-N 1 1 501.719 5.380 50 0 KKAAMO O=C(c1cccs1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)CC1 ZINC000021796791 553717466 /nfs/dbraw/zinc/71/74/66/553717466.db2.gz VOYBDXDVZACFPW-UHFFFAOYSA-N 1 1 500.027 5.765 50 0 KKAAMO Cc1[nH]c2ccccc2c1[C@H](c1ccccc1F)N1CC[NH+]([C@H](c2c(C)[nH]c3ccccc32)c2ccccc2F)CC1 ZINC000022030397 553722832 /nfs/dbraw/zinc/72/28/32/553722832.db2.gz SAYWINNUVICIJO-ZPGRZCPFSA-N 1 1 560.692 8.041 50 0 KKAAMO CCC(=O)N1CC[NH+](Cc2c(-c3ccc(C)cc3)nc3ccc(-c4cccc(C(F)(F)F)c4)cn32)CC1 ZINC000096289071 553741134 /nfs/dbraw/zinc/74/11/34/553741134.db2.gz RLWQNNSFIUYQJP-UHFFFAOYSA-N 1 1 506.572 6.050 50 0 KKAAMO O=C(COc1ccccc1)OCCN1CC[NH+]([C@H]2Cc3cc(Cl)ccc3Sc3ccccc32)CC1 ZINC000096316537 553749561 /nfs/dbraw/zinc/74/95/61/553749561.db2.gz UMEUVBACWNKQTN-VWLOTQADSA-N 1 1 509.071 5.328 50 0 KKAAMO O[C@H](COc1ccccc1)CN(CC[N@@H+](C[C@H](O)COc1ccccc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000097940054 553763559 /nfs/dbraw/zinc/76/35/59/553763559.db2.gz BMNASIGFPCNXFN-COCZKOEFSA-N 1 1 692.900 8.049 50 0 KKAAMO Cc1cc2occ(CN(C)CC[N@@H+](C)Cc3cn(-c4cccc(C(F)(F)F)c4)c4ccccc34)c(=O)c2cc1C ZINC000022940634 553768441 /nfs/dbraw/zinc/76/84/41/553768441.db2.gz JZNXLPPJRFFECJ-UHFFFAOYSA-N 1 1 547.621 6.936 50 0 in-vitro KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)CN3C(=O)c4ccccc4C3=O)c2-c2nc3ccccc3s2)C1 ZINC000023153879 553771053 /nfs/dbraw/zinc/77/10/53/553771053.db2.gz MKPBFKXOEKLLEV-UHFFFAOYSA-N 1 1 516.648 5.026 50 0 KKAAMO O=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000023382031 553774761 /nfs/dbraw/zinc/77/47/61/553774761.db2.gz WRNWBZMVRTVYEM-UHFFFAOYSA-N 1 1 506.065 5.625 50 0 KKAAMO O=C([C@@H]1CCCN(c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000097946030 553776126 /nfs/dbraw/zinc/77/61/26/553776126.db2.gz ABVRVKHBEAGBAU-RUZDIDTESA-N 1 1 541.095 5.409 50 0 KKAAMO CCc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cc(Cl)ccc3n2)s1 ZINC000097948098 553791251 /nfs/dbraw/zinc/79/12/51/553791251.db2.gz NMMNMWVRSFCHCV-UHFFFAOYSA-N 1 1 552.143 7.727 50 0 KKAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000097948677 553795827 /nfs/dbraw/zinc/79/58/27/553795827.db2.gz FNWPWFZDLXHUGD-UHFFFAOYSA-N 1 1 592.537 7.220 50 0 KKAAMO O=C(c1ccc(/C=C2\SC(=O)N(Cc3cccc(F)c3)C2=O)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000097956330 553837636 /nfs/dbraw/zinc/83/76/36/553837636.db2.gz MADBRQJNOKSONS-OOAXWGSJSA-N 1 1 529.637 5.063 50 0 KKAAMO C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)c2ccc(/C=C3\SC(=O)N(Cc4ccccc4C(F)(F)F)C3=O)cc2)CC1 ZINC000097956335 553838081 /nfs/dbraw/zinc/83/80/81/553838081.db2.gz XOECFYZNNWJQEB-GGMSWHNTSA-N 1 1 579.644 6.461 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)c2-c2nc3ccccc3s2)C1 ZINC000097963436 553890005 /nfs/dbraw/zinc/89/00/05/553890005.db2.gz FPWKIRFPALSLQV-UHFFFAOYSA-N 1 1 628.845 7.185 50 0 KKAAMO CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CC[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000033429006 553959832 /nfs/dbraw/zinc/95/98/32/553959832.db2.gz DCDZBOZBYSWDEO-XRKRLSELSA-N 1 1 518.583 5.670 50 0 KKAAMO C[N@@H+]1CC2=C(N=C3SC=C(c4ccc5c(c4)OCCO5)N3[C@@H]2c2ccccc2)/C(=C/c2ccccc2)C1 ZINC000033605795 553964132 /nfs/dbraw/zinc/96/41/32/553964132.db2.gz AEAVFOUDTJGFPC-UJQDQAMGSA-N 1 1 505.643 6.199 50 0 KKAAMO O=[S@@](c1ccc(Br)cc1)C1=CC[N@@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000097973092 553968335 /nfs/dbraw/zinc/96/83/35/553968335.db2.gz VZJRWPXCSPXDLK-MGBGTMOVSA-N 1 1 530.478 7.037 50 0 KKAAMO COc1ccccc1[C@@H]1CC(c2c(=O)[nH]c3ccccc3c2-c2ccc(Cl)cc2)=NN1C(=O)C[NH+]1CCCCC1 ZINC000097977178 553974610 /nfs/dbraw/zinc/97/46/10/553974610.db2.gz ADZDGAOMBSAQQX-MHZLTWQESA-N 1 1 555.078 6.021 50 0 KKAAMO C[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1cccc(F)c1 ZINC000034667501 553982021 /nfs/dbraw/zinc/98/20/21/553982021.db2.gz SATOUCTXMHIPQA-WKRVVKTRSA-N 1 1 512.600 6.196 50 0 KKAAMO C[C@H](Oc1ccc2c(c1)[C@@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1cccc(F)c1 ZINC000034667501 553982024 /nfs/dbraw/zinc/98/20/24/553982024.db2.gz SATOUCTXMHIPQA-WKRVVKTRSA-N 1 1 512.600 6.196 50 0 KKAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@@H+](Cc1ccccc1F)CC2)C(=O)NCc1cccc(F)c1 ZINC000034667499 553982097 /nfs/dbraw/zinc/98/20/97/553982097.db2.gz SATOUCTXMHIPQA-UGDMGKLASA-N 1 1 512.600 6.196 50 0 KKAAMO C[C@H](Oc1ccc2c(c1)[C@H](c1ccccc1)[N@H+](Cc1ccccc1F)CC2)C(=O)NCc1cccc(F)c1 ZINC000034667499 553982100 /nfs/dbraw/zinc/98/21/00/553982100.db2.gz SATOUCTXMHIPQA-UGDMGKLASA-N 1 1 512.600 6.196 50 0 KKAAMO COc1cc(C[N@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@@H]2c2ccccc2)cc(OC)c1 ZINC000034669907 553982164 /nfs/dbraw/zinc/98/21/64/553982164.db2.gz GQFCRXRYAJLBCZ-YIXXDRMTSA-N 1 1 512.572 5.992 50 0 KKAAMO CC(C)(C)c1ccc(C[NH+]2CCN(Cc3nc(C(=O)NCc4cccc(C(F)(F)F)c4)co3)CC2)cc1 ZINC000034678013 553984060 /nfs/dbraw/zinc/98/40/60/553984060.db2.gz CWEUPVGXQQQARR-UHFFFAOYSA-N 1 1 514.592 5.239 50 0 KKAAMO O=C(Nc1ccc(N2CCC[N@@H+](Cc3ccccc3C(F)(F)F)CC2)nc1)c1cccc(C(F)(F)F)c1 ZINC000034681777 553985172 /nfs/dbraw/zinc/98/51/72/553985172.db2.gz YRHVSPMWNLZAFK-UHFFFAOYSA-N 1 1 522.493 6.084 50 0 KKAAMO COc1cccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(Cl)cc3)CC2)c1OC ZINC000034683674 553985970 /nfs/dbraw/zinc/98/59/70/553985970.db2.gz UXSAYVYYZXMQMD-UHFFFAOYSA-N 1 1 519.038 5.356 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2cccc(F)c2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000034698840 553991599 /nfs/dbraw/zinc/99/15/99/553991599.db2.gz RVLBJJXCIDMPPN-MXBOTTGLSA-N 1 1 502.649 6.964 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C(C)C ZINC000034698736 553991660 /nfs/dbraw/zinc/99/16/60/553991660.db2.gz SDKSCOATSSTLML-UFHPHHKVSA-N 1 1 512.591 6.919 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccccc2Cl)C[C@@H]1CN(C(=O)c1ccccc1)C1CCCCC1 ZINC000034698857 553991799 /nfs/dbraw/zinc/99/17/99/553991799.db2.gz UMDXQFSJIDKGJV-OFSOJUDTSA-N 1 1 501.114 7.339 50 0 KKAAMO Cc1ccc(C[N@@H+]2C[C@H](CN(CC(C)C)C(=O)c3ccc(C)cc3)[C@@H](c3cccc(C(F)(F)F)c3)C2)o1 ZINC000034699141 553992401 /nfs/dbraw/zinc/99/24/01/553992401.db2.gz WHJKGIFSNRYXGY-LEAFIULHSA-N 1 1 512.616 6.929 50 0 KKAAMO COc1ccccc1C[N@H+]1C[C@H](CN(C(=O)c2ccc(F)cc2)C(C)C)[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000034699147 553992434 /nfs/dbraw/zinc/99/24/34/553992434.db2.gz WBRNZEMHVSKXTL-SHQCIBLASA-N 1 1 528.590 6.620 50 0 KKAAMO COc1cccc(C[N@H+]2C[C@H](CN(C(=O)c3ccc(F)cc3)C(C)C)[C@@H](c3cccc(C(F)(F)F)c3)C2)c1 ZINC000034699159 553992461 /nfs/dbraw/zinc/99/24/61/553992461.db2.gz XUOSCCOZUPEBSV-UFHPHHKVSA-N 1 1 528.590 6.620 50 0 KKAAMO Cc1cccc(C[N@H+]2C[C@@H](c3cccc(C(F)(F)F)c3)[C@@H](CN(C(=O)c3ccc(F)cc3)C(C)C)C2)c1 ZINC000034699160 553992466 /nfs/dbraw/zinc/99/24/66/553992466.db2.gz QUHIANOGRRULSF-NAKRPHOHSA-N 1 1 512.591 6.919 50 0 KKAAMO O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+](Cc2ccccc2Cl)C1 ZINC000034716589 553995646 /nfs/dbraw/zinc/99/56/46/553995646.db2.gz GLMDYCBUKYPIDM-VXKWHMMOSA-N 1 1 504.955 6.420 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787352 554004503 /nfs/dbraw/zinc/00/45/03/554004503.db2.gz MLZYCXNBBBFQGQ-SSEXGKCCSA-N 1 1 515.723 5.413 50 0 KKAAMO CCCCc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@H]3c3ccccc3)CC2)cc1 ZINC000034787352 554004505 /nfs/dbraw/zinc/00/45/05/554004505.db2.gz MLZYCXNBBBFQGQ-SSEXGKCCSA-N 1 1 515.723 5.413 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@H+]1CC(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034788033 554005472 /nfs/dbraw/zinc/00/54/72/554005472.db2.gz BPKSZJOKTPOWFG-SSEXGKCCSA-N 1 1 529.750 5.676 50 0 KKAAMO Cc1ccccc1[C@@H]1c2ccsc2CC[N@@H+]1CC(=O)N1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000034788033 554005474 /nfs/dbraw/zinc/00/54/74/554005474.db2.gz BPKSZJOKTPOWFG-SSEXGKCCSA-N 1 1 529.750 5.676 50 0 KKAAMO CC[C@H](C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2ccccc2C)CC1)c1ccccc1 ZINC000034830208 554014859 /nfs/dbraw/zinc/01/48/59/554014859.db2.gz KJVJFTYMPTXSBF-QCDSWUKFSA-N 1 1 515.723 5.259 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCCN(C(=O)CCC2CCCC2)CC1 ZINC000034830235 554014880 /nfs/dbraw/zinc/01/48/80/554014880.db2.gz CBVRTSPIBICAQR-PMERELPUSA-N 1 1 507.744 5.425 50 0 KKAAMO CCCC[C@H](CC)C(=O)N1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)C[C@H]1C ZINC000034830541 554016106 /nfs/dbraw/zinc/01/61/06/554016106.db2.gz KVPAGDBGALSPGE-WENCSYSZSA-N 1 1 513.723 5.501 50 0 KKAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000034830555 554016553 /nfs/dbraw/zinc/01/65/53/554016553.db2.gz YGVLIVLQCUTCGO-PBBNMVCDSA-N 1 1 519.686 5.160 50 0 KKAAMO Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CC[NH+](C(c4ccccc4)c4ccccc4)CC2)c2ccccc23)cc1 ZINC000097993292 554030835 /nfs/dbraw/zinc/03/08/35/554030835.db2.gz SKNYJYUKSCERJN-UHFFFAOYSA-N 1 1 574.710 5.330 50 0 KKAAMO COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[N@@H+]3CCC[C@H](C)C3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000035144384 554035561 /nfs/dbraw/zinc/03/55/61/554035561.db2.gz ULFXFPKJEHXNGN-RBUKOAKNSA-N 1 1 527.731 5.839 50 0 KKAAMO COc1ccc(OC)c(NC(=O)c2c(NC(=O)C[N@H+]3CCC[C@H](C)C3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 ZINC000035144384 554035565 /nfs/dbraw/zinc/03/55/65/554035565.db2.gz ULFXFPKJEHXNGN-RBUKOAKNSA-N 1 1 527.731 5.839 50 0 KKAAMO O=C(c1cnn2c1nc(-c1ccc3c(c1)OCO3)cc2C(F)(F)F)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097998471 554041380 /nfs/dbraw/zinc/04/13/80/554041380.db2.gz PXASNKRVWKBWPT-UHFFFAOYSA-N 1 1 585.586 5.691 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@@H+]3CCCC[C@H]3C)sc3c2CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000035415644 554049516 /nfs/dbraw/zinc/04/95/16/554049516.db2.gz MSOJOUOOUUYXGI-RTBURBONSA-N 1 1 527.731 5.982 50 0 KKAAMO COc1ccc(NC(=O)c2c(NC(=O)C[N@H+]3CCCC[C@H]3C)sc3c2CC[C@@H](C(C)(C)C)C3)c(OC)c1 ZINC000035415644 554049519 /nfs/dbraw/zinc/04/95/19/554049519.db2.gz MSOJOUOOUUYXGI-RTBURBONSA-N 1 1 527.731 5.982 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(Cl)cc2)CC[N@H+](C)C4)cc1 ZINC000035427128 554050721 /nfs/dbraw/zinc/05/07/21/554050721.db2.gz MSCFWAXLLYVEGI-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(Cl)cc2)CC[N@@H+](C)C4)cc1 ZINC000035427128 554050725 /nfs/dbraw/zinc/05/07/25/554050725.db2.gz MSCFWAXLLYVEGI-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2)CC[N@H+](C)C4)cc1 ZINC000035427114 554050801 /nfs/dbraw/zinc/05/08/01/554050801.db2.gz QOXPWXGKLAGQRM-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cccc(Cl)c2)CC[N@@H+](C)C4)cc1 ZINC000035427114 554050804 /nfs/dbraw/zinc/05/08/04/554050804.db2.gz QOXPWXGKLAGQRM-SANMLTNESA-N 1 1 519.070 6.326 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2OC)CC[N@H+](C)C4)cc1 ZINC000035427186 554051019 /nfs/dbraw/zinc/05/10/19/554051019.db2.gz IOLDJRWZOXJRMN-MUUNZHRXSA-N 1 1 528.678 5.989 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)ccc2OC)CC[N@@H+](C)C4)cc1 ZINC000035427186 554051022 /nfs/dbraw/zinc/05/10/22/554051022.db2.gz IOLDJRWZOXJRMN-MUUNZHRXSA-N 1 1 528.678 5.989 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(F)ccc2F)CC[N@H+](C)C4)cc1 ZINC000035427175 554051175 /nfs/dbraw/zinc/05/11/75/554051175.db2.gz NAXPANSSDDGJCN-SANMLTNESA-N 1 1 520.605 5.951 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(F)ccc2F)CC[N@@H+](C)C4)cc1 ZINC000035427175 554051177 /nfs/dbraw/zinc/05/11/77/554051177.db2.gz NAXPANSSDDGJCN-SANMLTNESA-N 1 1 520.605 5.951 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@H+](C)CC4)c(Cl)c1 ZINC000035427252 554051599 /nfs/dbraw/zinc/05/15/99/554051599.db2.gz OCLBFYCMRLEDDQ-AREMUKBSSA-N 1 1 521.061 6.765 50 0 KKAAMO Cc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)c(Cl)c1 ZINC000035427252 554051604 /nfs/dbraw/zinc/05/16/04/554051604.db2.gz OCLBFYCMRLEDDQ-AREMUKBSSA-N 1 1 521.061 6.765 50 0 KKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@@H+](C)CC4)c1 ZINC000035427244 554051639 /nfs/dbraw/zinc/05/16/39/554051639.db2.gz VPOZESGITQLCHC-HHHXNRCGSA-N 1 1 500.643 6.420 50 0 KKAAMO Cc1ccc(C)c(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(F)cc2)C[N@H+](C)CC4)c1 ZINC000035427244 554051635 /nfs/dbraw/zinc/05/16/35/554051635.db2.gz VPOZESGITQLCHC-HHHXNRCGSA-N 1 1 500.643 6.420 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2)CC[N@H+](C)C4)c1 ZINC000035427321 554051789 /nfs/dbraw/zinc/05/17/89/554051789.db2.gz XSBUNCABLKOOGN-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(F)cc2)CC[N@@H+](C)C4)c1 ZINC000035427321 554051790 /nfs/dbraw/zinc/05/17/90/554051790.db2.gz XSBUNCABLKOOGN-AREMUKBSSA-N 1 1 502.615 5.812 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(F)c2)CC[N@H+](C)C4)c1 ZINC000035427323 554052031 /nfs/dbraw/zinc/05/20/31/554052031.db2.gz RMTTVXULFXRLKJ-MHZLTWQESA-N 1 1 516.642 6.120 50 0 KKAAMO COc1cccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)c(F)c2)CC[N@@H+](C)C4)c1 ZINC000035427323 554052033 /nfs/dbraw/zinc/05/20/33/554052033.db2.gz RMTTVXULFXRLKJ-MHZLTWQESA-N 1 1 516.642 6.120 50 0 KKAAMO C[C@@H](NC(=O)CCN(CCC[NH+]1CCOCC1)c1nc(-c2ccccc2Cl)nc2ccccc21)c1ccccc1 ZINC000098009851 554071721 /nfs/dbraw/zinc/07/17/21/554071721.db2.gz NUOYAEGILGQPCJ-XMMPIXPASA-N 1 1 558.126 5.746 50 0 KKAAMO CCC[C@@H](O)C[N@@H+](CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1 ZINC000035842606 554081297 /nfs/dbraw/zinc/08/12/97/554081297.db2.gz ZREJQSMTMUFYPT-MUUNZHRXSA-N 1 1 521.746 5.536 50 0 KKAAMO CC(C)COC[C@H](O)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)CC(C)C ZINC000035842596 554081373 /nfs/dbraw/zinc/08/13/73/554081373.db2.gz WTHGOCHRDRLTCG-SSEXGKCCSA-N 1 1 549.800 6.028 50 0 KKAAMO C[C@H](NC(=O)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12)c1ccccc1 ZINC000035871462 554085672 /nfs/dbraw/zinc/08/56/72/554085672.db2.gz LJGZUDQKQVFSON-GGPAXRDESA-N 1 1 507.600 5.488 50 0 KKAAMO O=C(NCc1ccccc1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871395 554085797 /nfs/dbraw/zinc/08/57/97/554085797.db2.gz GIMKUDMQJZCYDI-AZGAKELHSA-N 1 1 513.991 5.538 50 0 KKAAMO O=C(NCc1ccco1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@H]12 ZINC000035871393 554085846 /nfs/dbraw/zinc/08/58/46/554085846.db2.gz PSYPOUXRHNSNTM-LADGPHEKSA-N 1 1 503.952 5.131 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2cccc(Nc3c(Oc4cccc(C(C)C)c4)cnn(-c4cccc(Cl)c4)c3=O)c2)CC1 ZINC000098015483 554099874 /nfs/dbraw/zinc/09/98/74/554099874.db2.gz XDMKXVIOMFQBGQ-UHFFFAOYSA-N 1 1 572.109 6.323 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(Nc3c(Oc4cccc(C)c4C)cnn(-c4ccc(OC)cc4)c3=O)cc2)CC1 ZINC000098015696 554101547 /nfs/dbraw/zinc/10/15/47/554101547.db2.gz FUOHLFAEYQXDNQ-UHFFFAOYSA-N 1 1 553.663 5.172 50 0 KKAAMO CNC(=O)[C@H](c1ccccc1)[N@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1 ZINC000035953489 554107861 /nfs/dbraw/zinc/10/78/61/554107861.db2.gz DKMACHNQISHMDN-IGKIAQTJSA-N 1 1 512.572 5.742 50 0 KKAAMO CNC(=O)[C@H](c1ccccc1)[N@@H+]1CCc2cc(OC)c(OC)cc2[C@@H]1CCc1ccc(C(F)(F)F)cc1 ZINC000035953489 554107857 /nfs/dbraw/zinc/10/78/57/554107857.db2.gz DKMACHNQISHMDN-IGKIAQTJSA-N 1 1 512.572 5.742 50 0 KKAAMO COC(=O)c1cccc(C[N@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C(C)C)c1 ZINC000098020073 554116568 /nfs/dbraw/zinc/11/65/68/554116568.db2.gz ZHTKSCLQBQEXGJ-UHFFFAOYSA-N 1 1 566.529 6.743 50 0 KKAAMO COC(=O)c1cccc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C(C)C)c1 ZINC000098020073 554116569 /nfs/dbraw/zinc/11/65/69/554116569.db2.gz ZHTKSCLQBQEXGJ-UHFFFAOYSA-N 1 1 566.529 6.743 50 0 KKAAMO COc1cccc(C[N@@H+](CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccc(Cl)c(Cl)c2)C(C)C)c1 ZINC000098021299 554117717 /nfs/dbraw/zinc/11/77/17/554117717.db2.gz LSOQDTAJVMQASE-UHFFFAOYSA-N 1 1 538.519 6.965 50 0 KKAAMO Cn1cc([C@@H](CC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c2cccc(C(F)(F)F)c2)c2ccccc21 ZINC000098021340 554118093 /nfs/dbraw/zinc/11/80/93/554118093.db2.gz UONFOPZNOXSABQ-HKBQPEDESA-N 1 1 581.682 7.653 50 0 KKAAMO O=C(C[C@H](c1c[nH]c2ccccc21)c1ccccc1Cl)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098021532 554119193 /nfs/dbraw/zinc/11/91/93/554119193.db2.gz FYAPVSWQGCFHIG-LJAQVGFWSA-N 1 1 534.103 7.277 50 0 KKAAMO COc1ccc(-c2cc(C(=O)N3CC[NH+](Cc4ccc(C(C)(C)C)cc4)CC3)c3cc(Br)ccc3n2)cc1 ZINC000098042730 554121763 /nfs/dbraw/zinc/12/17/63/554121763.db2.gz SMAVVWDGTXSIGD-UHFFFAOYSA-N 1 1 572.547 6.928 50 0 KKAAMO O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000098045162 554130962 /nfs/dbraw/zinc/13/09/62/554130962.db2.gz YLSOIHCUWHXCJP-UHFFFAOYSA-N 1 1 592.136 5.604 50 0 KKAAMO Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)C[NH+]1CCN(C[C@H](O)Cn2c3ccc(C)cc3c(-c3ccccc3)c2-c2ccccc2)CC1 ZINC000098048141 554159808 /nfs/dbraw/zinc/15/98/08/554159808.db2.gz VZODFMDSMOQRNS-PIYFIQLCSA-N 1 1 765.014 9.920 50 0 KKAAMO CC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3ccc(Br)cc3)CC2)cc1 ZINC000098048226 554160733 /nfs/dbraw/zinc/16/07/33/554160733.db2.gz IGKRPMFSAJZAOM-UHFFFAOYSA-N 1 1 552.476 6.379 50 0 KKAAMO O[C@@H](COCc1ccccc1)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000036146366 554198207 /nfs/dbraw/zinc/19/82/07/554198207.db2.gz JTVUCQXNNMSOLD-RPWUZVMVSA-N 1 1 517.428 5.705 50 0 KKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1ccc(C)s1 ZINC000036154590 554198440 /nfs/dbraw/zinc/19/84/40/554198440.db2.gz KSNCHMQKOINYLM-UHFFFAOYSA-N 1 1 521.679 5.990 50 0 KKAAMO COCCC[N@@H+](Cc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)o1)Cc1cccs1 ZINC000036154654 554198496 /nfs/dbraw/zinc/19/84/96/554198496.db2.gz WQMFFHUZJREANE-UHFFFAOYSA-N 1 1 507.652 5.681 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(F)cc2)C[N@@H+]3C)c1 ZINC000036201483 554200538 /nfs/dbraw/zinc/20/05/38/554200538.db2.gz VRZXJDFERVRAHU-HWCFGDHISA-N 1 1 518.632 6.413 50 0 KKAAMO Cc1ccc(C)c(CN2c3ccccc3[C@@]3(C2=O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(F)cc2)C[N@H+]3C)c1 ZINC000036201483 554200535 /nfs/dbraw/zinc/20/05/35/554200535.db2.gz VRZXJDFERVRAHU-HWCFGDHISA-N 1 1 518.632 6.413 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@H+](Cc3cccc(OC)c3OC)C(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000036202351 554200594 /nfs/dbraw/zinc/20/05/94/554200594.db2.gz OOURLQWQEUURDT-UHFFFAOYSA-N 1 1 531.649 6.009 50 0 KKAAMO Cc1ccc(C[N@@H+](CCN2CCOCC2)Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)cc1 ZINC000036202777 554200649 /nfs/dbraw/zinc/20/06/49/554200649.db2.gz SWKAYQYWZYIQAT-UHFFFAOYSA-N 1 1 532.631 5.485 50 0 KKAAMO COc1ccc(C(O)(c2ccc(C[N@@H+](Cc3cccc(OC)c3OC)C(C)C)o2)c2ccc(OC)cc2)cc1 ZINC000036202351 554200599 /nfs/dbraw/zinc/20/05/99/554200599.db2.gz OOURLQWQEUURDT-UHFFFAOYSA-N 1 1 531.649 6.009 50 0 KKAAMO Cc1ccc(C[N@H+](CCN2CCOCC2)Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)cc1 ZINC000036202777 554200644 /nfs/dbraw/zinc/20/06/44/554200644.db2.gz SWKAYQYWZYIQAT-UHFFFAOYSA-N 1 1 532.631 5.485 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)CC(C)C ZINC000036207761 554202467 /nfs/dbraw/zinc/20/24/67/554202467.db2.gz ZPILKFMJHRQWNH-OAQYLSRUSA-N 1 1 512.075 5.511 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1)CC(C)C ZINC000036207761 554202463 /nfs/dbraw/zinc/20/24/63/554202463.db2.gz ZPILKFMJHRQWNH-OAQYLSRUSA-N 1 1 512.075 5.511 50 0 KKAAMO Cc1nn(-c2cccc(Cl)c2)c(Oc2ccccc2)c1C[N@@H+](CC(C)C)C[C@H](O)Cc1ccccc1 ZINC000036301723 554211820 /nfs/dbraw/zinc/21/18/20/554211820.db2.gz OAIDNJLZMUCPOG-HHHXNRCGSA-N 1 1 504.074 6.688 50 0 KKAAMO COc1ccc(Oc2c(C[N@@H+](CC(C)C)C[C@@H](O)COCc3ccco3)c(C)nn2-c2ccccc2)cc1 ZINC000036302358 554212385 /nfs/dbraw/zinc/21/23/85/554212385.db2.gz QXCMYGNPDYIWRL-RUZDIDTESA-N 1 1 519.642 5.610 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@@H+](C[C@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000036302993 554212836 /nfs/dbraw/zinc/21/28/36/554212836.db2.gz RWRGNGLGMPUZNP-BDYUSTAISA-N 1 1 507.675 5.242 50 0 KKAAMO CCc1nn(-c2ccccc2)c(Oc2ccccc2)c1C[N@H+](C[C@H](O)COCC(C)C)C[C@@H]1CCCO1 ZINC000036302993 554212834 /nfs/dbraw/zinc/21/28/34/554212834.db2.gz RWRGNGLGMPUZNP-BDYUSTAISA-N 1 1 507.675 5.242 50 0 KKAAMO COCC[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](O)COC(C)(C)C ZINC000036303507 554213275 /nfs/dbraw/zinc/21/32/75/554213275.db2.gz JDARNOSAMTZDEU-QFIPXVFZSA-N 1 1 502.055 5.251 50 0 KKAAMO COCC[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@H](O)COC(C)(C)C ZINC000036303507 554213278 /nfs/dbraw/zinc/21/32/78/554213278.db2.gz JDARNOSAMTZDEU-QFIPXVFZSA-N 1 1 502.055 5.251 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@H](O)COC(C)(C)C)c1Oc1cccc(F)c1 ZINC000036307021 554215854 /nfs/dbraw/zinc/21/58/54/554215854.db2.gz IAZNKVCARFVOTC-QHCPKHFHSA-N 1 1 507.606 5.790 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@H](O)COC(C)(C)C)c1Oc1cccc(F)c1 ZINC000036307021 554215857 /nfs/dbraw/zinc/21/58/57/554215857.db2.gz IAZNKVCARFVOTC-QHCPKHFHSA-N 1 1 507.606 5.790 50 0 KKAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(Cc2ccccc2)C(=O)c2ccccc2F)CC1 ZINC000036312112 554218393 /nfs/dbraw/zinc/21/83/93/554218393.db2.gz TWQSJQQBIQRCRA-UHFFFAOYSA-N 1 1 502.565 5.214 50 0 KKAAMO CCCCOC[C@H](O)C[N@@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036313713 554219156 /nfs/dbraw/zinc/21/91/56/554219156.db2.gz KOEYRDGQDCSGTH-RPBOFIJWSA-N 1 1 528.093 5.785 50 0 KKAAMO CCCCOC[C@H](O)C[N@H+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl)C[C@@H]1CCCO1 ZINC000036313713 554219159 /nfs/dbraw/zinc/21/91/59/554219159.db2.gz KOEYRDGQDCSGTH-RPBOFIJWSA-N 1 1 528.093 5.785 50 0 KKAAMO CCCCOC[C@@H](O)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1)C[C@@H]1CCCO1 ZINC000036313980 554219359 /nfs/dbraw/zinc/21/93/59/554219359.db2.gz AYIYLRIOAIWQDC-AHWVRZQESA-N 1 1 511.638 5.177 50 0 KKAAMO CC(C)C[N@H+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)COC(C)(C)C ZINC000036316112 554219606 /nfs/dbraw/zinc/21/96/06/554219606.db2.gz BCRMIDXPHJGWTF-QFIPXVFZSA-N 1 1 501.618 5.792 50 0 KKAAMO Cc1ccc(C2=NN(C(=O)CN3CC[NH+](Cc4ccccc4)CC3)[C@@H](c3ccccc3Cl)C2)c(C)c1 ZINC000036343839 554222393 /nfs/dbraw/zinc/22/23/93/554222393.db2.gz WKGFAQQAWSMYTJ-GDLZYMKVSA-N 1 1 501.074 5.452 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccc(CSc3nnc(Cc4ccccc4)n3-c3ccc(F)cc3)cc2)CC1 ZINC000037398548 554240838 /nfs/dbraw/zinc/24/08/38/554240838.db2.gz GCPTUXQKWFDJFE-UHFFFAOYSA-N 1 1 515.658 5.067 50 0 KKAAMO Clc1ccc(-n2cc(-c3ccccc3)c3c2ncnc3N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000041098043 554294944 /nfs/dbraw/zinc/29/49/44/554294944.db2.gz DLXUTYYHMFLIAP-UHFFFAOYSA-N 1 1 524.024 5.792 50 0 KKAAMO CCOc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000046853904 554320864 /nfs/dbraw/zinc/32/08/64/554320864.db2.gz RFYCWRVIWJPHHF-UHFFFAOYSA-N 1 1 533.632 5.457 50 0 KKAAMO O=C(COc1ccc(Cl)cc1)N1CCN(c2[nH+]cnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC1 ZINC000046853886 554320917 /nfs/dbraw/zinc/32/09/17/554320917.db2.gz RMEFYNGJIMFNOA-UHFFFAOYSA-N 1 1 542.014 5.608 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3ccccc3C)CC2)cc1 ZINC000046853893 554320926 /nfs/dbraw/zinc/32/09/26/554320926.db2.gz UMDGGTIIMWOBMZ-UHFFFAOYSA-N 1 1 533.632 5.132 50 0 KKAAMO COc1ccc(-n2cc(-c3ccccc3)c3c2nc[nH+]c3N2CCN(C(=O)COc3cccc(C)c3)CC2)cc1 ZINC000046853889 554320939 /nfs/dbraw/zinc/32/09/39/554320939.db2.gz OPDFTMBXTJFGHJ-UHFFFAOYSA-N 1 1 533.632 5.132 50 0 KKAAMO Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[N@H+](Cc2ccccc2)C4)c(C)c1 ZINC000053333613 554339898 /nfs/dbraw/zinc/33/98/98/554339898.db2.gz GQNMKFYYWRUYSD-UHFFFAOYSA-N 1 1 566.752 6.353 50 0 KKAAMO Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[N@@H+](Cc2ccccc2)C4)c(C)c1 ZINC000053333613 554339894 /nfs/dbraw/zinc/33/98/94/554339894.db2.gz GQNMKFYYWRUYSD-UHFFFAOYSA-N 1 1 566.752 6.353 50 0 KKAAMO CCc1ccc2c(c1)[C@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12c1ccccc1NC2=O ZINC000059785691 554430218 /nfs/dbraw/zinc/43/02/18/554430218.db2.gz DEXFPUZLJYSAEO-XOLWELMFSA-N 1 1 527.624 5.417 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@@H+](Cc1ccccc1)C2)c1ccc(Br)cc1 ZINC000100709466 554453302 /nfs/dbraw/zinc/45/33/02/554453302.db2.gz GFGLSKUDZXARDF-UHFFFAOYSA-N 1 1 560.542 7.598 50 0 KKAAMO O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CC[N@H+](Cc1ccccc1)C2)c1ccc(Br)cc1 ZINC000100709466 554453306 /nfs/dbraw/zinc/45/33/06/554453306.db2.gz GFGLSKUDZXARDF-UHFFFAOYSA-N 1 1 560.542 7.598 50 0 KKAAMO CC(C)[N@H+]1CCc2c(sc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)c2-c2nc3ccccc3s2)C1 ZINC000100818172 554478489 /nfs/dbraw/zinc/47/84/89/554478489.db2.gz NCXPMSNZSQSIEB-UHFFFAOYSA-N 1 1 530.675 5.697 50 0 KKAAMO Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(OC(F)F)cc2)[NH+]2CCN(c3ccccc3)CC2)c1C ZINC000100869269 554497503 /nfs/dbraw/zinc/49/75/03/554497503.db2.gz GPKUYHLSULCBRB-SANMLTNESA-N 1 1 537.632 6.723 50 0 KKAAMO Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3cc4cc(Br)cc(Br)c4oc3=O)CC2)[nH+]1 ZINC000100956516 554539662 /nfs/dbraw/zinc/53/96/62/554539662.db2.gz PNGYHERRYGWRBR-UHFFFAOYSA-N 1 1 599.283 5.122 50 0 KKAAMO COc1cc(C(=O)N2CCC[C@@H](COc3ccc(C[N@@H+](C)Cc4cccc5ccccc54)cc3)C2)cc(OC)c1OC ZINC000101052859 554568976 /nfs/dbraw/zinc/56/89/76/554568976.db2.gz SZMIGQJOVZYKPA-AREMUKBSSA-N 1 1 568.714 6.429 50 0 KKAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c1 ZINC000101142248 554654069 /nfs/dbraw/zinc/65/40/69/554654069.db2.gz NRGHWCRBXVLCKT-QUMGSSFMSA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1cc(C)cc(N2C(=O)[C@H]3[C@@H](C(=O)Nc4cccc(C(F)(F)F)c4)[N@@H+]4C=Cc5ccccc5[C@@H]4[C@H]3C2=O)c1 ZINC000101142248 554654071 /nfs/dbraw/zinc/65/40/71/554654071.db2.gz NRGHWCRBXVLCKT-QUMGSSFMSA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000101142246 554654124 /nfs/dbraw/zinc/65/41/24/554654124.db2.gz NRGHWCRBXVLCKT-QYOOZWMWSA-N 1 1 531.534 5.476 50 0 KKAAMO Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2c4ccccc4C=C[N@H+]2[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)c1 ZINC000101142246 554654127 /nfs/dbraw/zinc/65/41/27/554654127.db2.gz NRGHWCRBXVLCKT-QYOOZWMWSA-N 1 1 531.534 5.476 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000101169004 554661253 /nfs/dbraw/zinc/66/12/53/554661253.db2.gz MEQREPYTSVSAKS-KEZOAJOQSA-N 1 1 537.925 5.513 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000101169004 554661256 /nfs/dbraw/zinc/66/12/56/554661256.db2.gz MEQREPYTSVSAKS-KEZOAJOQSA-N 1 1 537.925 5.513 50 0 KKAAMO COc1ccc([C@@H]2[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 ZINC000101189524 554670251 /nfs/dbraw/zinc/67/02/51/554670251.db2.gz BIZKLZOGPYWNFG-CZNDPXEESA-N 1 1 561.682 5.534 50 0 KKAAMO COc1cc(C[N@H+]2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)C[C@@H](c3ccc(F)c(C)c3)C2)cc(OC)c1 ZINC000101260299 554697288 /nfs/dbraw/zinc/69/72/88/554697288.db2.gz RMZDPVZMBJRRKO-DNQXCXABSA-N 1 1 544.589 6.092 50 0 KKAAMO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3nc(-c4ccccc4)nc(C)c3Cc3ccc(Cl)cc3)CC2)cc1 ZINC000101347875 554737640 /nfs/dbraw/zinc/73/76/40/554737640.db2.gz UKMWTJZFRMGIPZ-HHHXNRCGSA-N 1 1 559.110 5.267 50 0 KKAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000101372172 554744658 /nfs/dbraw/zinc/74/46/58/554744658.db2.gz YWMBPVDTEHODPQ-LNVHHCMDSA-N 1 1 639.624 5.444 50 0 biogenic KKAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(/C=C2\Sc3ccccc3N(Cc3ccc(F)cc3)C2=O)cc1 ZINC000101372838 554745160 /nfs/dbraw/zinc/74/51/60/554745160.db2.gz FBHGKYYXHSCRCC-WFYOHKHESA-N 1 1 557.735 6.890 50 0 KKAAMO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)C(=O)c3cc(OC)cc(OC)c3)CCCCC2)cc(OC)c1 ZINC000101378455 554747532 /nfs/dbraw/zinc/74/75/32/554747532.db2.gz SKPOOLAPFIGVPI-QXNWPYRLSA-N 1 1 593.765 5.769 50 0 KKAAMO CC[C@](C)(C(=O)Nc1cc(OC)cc(OC)c1)N(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc(Cl)cc1 ZINC000101378450 554747587 /nfs/dbraw/zinc/74/75/87/554747587.db2.gz OCSSPPVRIBPKRC-UWBJMHDUSA-N 1 1 542.120 5.871 50 0 KKAAMO CCOC(=O)c1ccc(N2N=C(C)[C@]3(Cc4cc(Br)ccc4N4CC[N@@H+](Cc5ccccc5)C[C@@H]43)C2=O)cc1 ZINC000101391633 554755187 /nfs/dbraw/zinc/75/51/87/554755187.db2.gz HMYBVOZWVICHGA-MVSFAKPFSA-N 1 1 587.518 5.282 50 0 KKAAMO COc1ccc(CCN(C)c2cc(C(C)(C)C)nc(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)n2)cc1OC ZINC000101424740 554768040 /nfs/dbraw/zinc/76/80/40/554768040.db2.gz KJVCSHVCIAJISM-UHFFFAOYSA-N 1 1 577.795 5.150 50 0 KKAAMO C[N@@H+](CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@]2=O)CCc1ccccc1 ZINC000101454828 554776721 /nfs/dbraw/zinc/77/67/21/554776721.db2.gz BFLMYEKQHOUWOL-RRHRGVEJSA-N 1 1 555.675 5.057 50 0 KKAAMO C[N@@H+](CCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@]2=O)CCc1ccccc1 ZINC000101454831 554776746 /nfs/dbraw/zinc/77/67/46/554776746.db2.gz BFLMYEKQHOUWOL-FAIXQHPJSA-N 1 1 555.675 5.057 50 0 KKAAMO CC(C)C[C@H]1[NH2+][C@@]2(c3ccccc3-n3c2nc2ccccc2c3=O)[C@H]2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 ZINC000101511109 554792545 /nfs/dbraw/zinc/79/25/45/554792545.db2.gz MGEKECNNKOIUAJ-LUASENJMSA-N 1 1 559.453 5.073 50 0 KKAAMO COc1ccc(OC)c(S(=O)(=O)N2CCC(Oc3ccc(C[N@@H+](C)Cc4ccc5ncccc5c4)cc3)CC2)c1 ZINC000101514611 554793605 /nfs/dbraw/zinc/79/36/05/554793605.db2.gz LCCZMJFAFLRPJK-UHFFFAOYSA-N 1 1 561.704 5.116 50 0 KKAAMO C[N@@H+](Cc1cccs1)Cc1cc(-c2ccc3c(c2)OCO3)ccc1OCC(=O)N1CC=C(c2ccc(F)cc2)CC1 ZINC000101605578 554805050 /nfs/dbraw/zinc/80/50/50/554805050.db2.gz MXNHNTWVKTXXMV-UHFFFAOYSA-N 1 1 570.686 6.610 50 0 KKAAMO O=C(NCCC[N@@H+](Cc1ccco1)C1CCCC1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@@H]1c1cccs1 ZINC000101617767 554806357 /nfs/dbraw/zinc/80/63/57/554806357.db2.gz MRCUCPRDJPJKLX-LOYHVIPDSA-N 1 1 545.749 6.516 50 0 KKAAMO CC(=O)c1ccc(N2CCN(c3[nH+]cnc4c3c(-c3ccccc3)cn4-c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000101622629 554809959 /nfs/dbraw/zinc/80/99/59/554809959.db2.gz SVXRQZJXKWDOEJ-UHFFFAOYSA-N 1 1 541.577 6.636 50 0 KKAAMO O=C(c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2)N1CC[NH+](Cc2ccccc2)CC1 ZINC000101632819 554811981 /nfs/dbraw/zinc/81/19/81/554811981.db2.gz POMBCMAWFOOORQ-UHFFFAOYSA-N 1 1 537.660 6.095 50 0 KKAAMO C[N@@H+](CCCN(Cc1cccn1Cc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(Cl)c1)C1CCCCC1 ZINC000101634345 554812443 /nfs/dbraw/zinc/81/24/43/554812443.db2.gz XTZKFMFIQVJDIA-UHFFFAOYSA-N 1 1 561.985 8.185 50 0 KKAAMO Cc1cccc(CN2C(=O)/C(=C\c3ccc(C(=O)NCCC[NH+]4CCN(c5ccccc5F)CC4)cc3)Sc3ccccc32)c1 ZINC000101637357 554813319 /nfs/dbraw/zinc/81/33/19/554813319.db2.gz GTJFLBZANNACIW-KVQDIILNSA-N 1 1 620.794 6.756 50 0 KKAAMO Cc1cccc(CN2c3cc(C(=O)NCC[NH+]4CCN(c5cccc(C)c5C)CC4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000101640608 554814410 /nfs/dbraw/zinc/81/44/10/554814410.db2.gz UPVITOPKGMLKRY-IBTHDSTKSA-N 1 1 616.831 6.844 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000101683651 554828897 /nfs/dbraw/zinc/82/88/97/554828897.db2.gz JXXFNIMAYIOZLT-DYMXRVJRSA-N 1 1 539.075 7.027 50 0 KKAAMO CC(C)c1ccc(C(=O)[C@@H]2[C@H](c3ccco3)C[N@@H+](C)[C@@]23c2ccccc2N(Cc2ccccc2Cl)C3=O)cc1 ZINC000101683651 554828898 /nfs/dbraw/zinc/82/88/98/554828898.db2.gz JXXFNIMAYIOZLT-DYMXRVJRSA-N 1 1 539.075 7.027 50 0 KKAAMO CCCC[N@@H+](CCCNC(=O)CN1C(=O)/C(=C\c2cccc(Br)c2)Oc2ccccc21)Cc1ccccc1 ZINC000101689391 554830427 /nfs/dbraw/zinc/83/04/27/554830427.db2.gz NIVOZKCSVMEDIV-XHLNEMQHSA-N 1 1 576.535 6.024 50 0 KKAAMO CC(C)CN1C(=O)c2ccccc2[C@@H](C(=O)NCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H]1c1cccs1 ZINC000101843142 554843094 /nfs/dbraw/zinc/84/30/94/554843094.db2.gz DFSIEZWLZUDNIX-LOYHVIPDSA-N 1 1 544.765 5.009 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2OC)CC[N@H+](C)C4)c1 ZINC000101916558 554850384 /nfs/dbraw/zinc/85/03/84/554850384.db2.gz XZJBOXXQJWZLQW-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1cccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2OC)CC[N@@H+](C)C4)c1 ZINC000101916558 554850387 /nfs/dbraw/zinc/85/03/87/554850387.db2.gz XZJBOXXQJWZLQW-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO CCOCCC[N@@H+](C)C1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(F)cc3)on2)CC1 ZINC000101917488 554850908 /nfs/dbraw/zinc/85/09/08/554850908.db2.gz GGRBNSHBAHRXER-UHFFFAOYSA-N 1 1 548.615 5.442 50 0 KKAAMO CCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccco1 ZINC000102050855 554871178 /nfs/dbraw/zinc/87/11/78/554871178.db2.gz XJLYNBVANNQYLU-GDLZYMKVSA-N 1 1 559.751 5.919 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1 ZINC000102083227 554875957 /nfs/dbraw/zinc/87/59/57/554875957.db2.gz IKMDKFVFLMZKHT-MUUNZHRXSA-N 1 1 539.657 5.778 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](Cc2ccccc2)C4)ccc1OC(=O)c1ccccc1 ZINC000102083227 554875960 /nfs/dbraw/zinc/87/59/60/554875960.db2.gz IKMDKFVFLMZKHT-MUUNZHRXSA-N 1 1 539.657 5.778 50 0 KKAAMO CCOc1cc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)ccc1OC(=O)c1ccc(Br)cc1 ZINC000102098272 554880348 /nfs/dbraw/zinc/88/03/48/554880348.db2.gz AJUYWEKSDZUJOC-XMMPIXPASA-N 1 1 570.509 6.324 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COc1ccccc1 ZINC000102102977 554882025 /nfs/dbraw/zinc/88/20/25/554882025.db2.gz BEUCYLDGULLRKH-WJOKGBTCSA-N 1 1 569.790 6.435 50 0 KKAAMO CC(C)C[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)cc1Cl ZINC000102105481 554882342 /nfs/dbraw/zinc/88/23/42/554882342.db2.gz AGHJLDYMAZVTMX-UHFFFAOYSA-N 1 1 591.410 8.511 50 0 KKAAMO CC(C)C[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1ccc(Cl)cc1Cl ZINC000102105481 554882345 /nfs/dbraw/zinc/88/23/45/554882345.db2.gz AGHJLDYMAZVTMX-UHFFFAOYSA-N 1 1 591.410 8.511 50 0 KKAAMO COC(=O)CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@H]1N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102122804 554883997 /nfs/dbraw/zinc/88/39/97/554883997.db2.gz RPVJJZRHUWLPCU-NEKDWFFYSA-N 1 1 585.671 5.070 50 0 KKAAMO COC(=O)CC[C@H]1CN(Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@H]1[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000102122804 554884002 /nfs/dbraw/zinc/88/40/02/554884002.db2.gz RPVJJZRHUWLPCU-NEKDWFFYSA-N 1 1 585.671 5.070 50 0 KKAAMO O=C(COc1ccc(-c2ncccn2)cc1C[N@H+]1CCc2ccccc2C1)NCc1ccc(C(F)(F)F)cc1 ZINC000102195640 554895344 /nfs/dbraw/zinc/89/53/44/554895344.db2.gz JCJMFOSKVQUREN-UHFFFAOYSA-N 1 1 532.566 5.416 50 0 KKAAMO COc1cccc(NC(=O)CC[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102299273 554908182 /nfs/dbraw/zinc/90/81/82/554908182.db2.gz RFYKGMBYUGOKGL-SUYBVONHSA-N 1 1 580.695 6.146 50 0 KKAAMO COc1cccc(NC(=O)CC[C@H]2CN(Cc3ccccc3)CC[C@H]2[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000102299273 554908184 /nfs/dbraw/zinc/90/81/84/554908184.db2.gz RFYKGMBYUGOKGL-SUYBVONHSA-N 1 1 580.695 6.146 50 0 KKAAMO COc1ccc(C[N@@H+]2C[C@@H](Sc3ncccn3)C[C@H]2C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)cc1C ZINC000102380051 554918519 /nfs/dbraw/zinc/91/85/19/554918519.db2.gz MKAVFWWCIMQBEJ-WNJJXGMVSA-N 1 1 551.716 6.010 50 0 KKAAMO COc1ccc(C[N@H+]2C[C@@H](Sc3ncccn3)C[C@H]2C(=O)Nc2ccc3c(c2)Nc2ccccc2CC3)cc1C ZINC000102380051 554918521 /nfs/dbraw/zinc/91/85/21/554918521.db2.gz MKAVFWWCIMQBEJ-WNJJXGMVSA-N 1 1 551.716 6.010 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2Cl)CC[N@H+](C)C4)cc1 ZINC000102499437 554941870 /nfs/dbraw/zinc/94/18/70/554941870.db2.gz KHZWXHDVSSDCRL-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2Cl)CC[N@@H+](C)C4)cc1 ZINC000102499437 554941872 /nfs/dbraw/zinc/94/18/72/554941872.db2.gz KHZWXHDVSSDCRL-MHZLTWQESA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2Cl)CC[N@H+](C)C4)cc1 ZINC000102499443 554941896 /nfs/dbraw/zinc/94/18/96/554941896.db2.gz KHZWXHDVSSDCRL-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccc(C)cc2Cl)CC[N@@H+](C)C4)cc1 ZINC000102499443 554941897 /nfs/dbraw/zinc/94/18/97/554941897.db2.gz KHZWXHDVSSDCRL-HHHXNRCGSA-N 1 1 533.097 6.634 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2OC)CC[N@H+](C)C4)cc1 ZINC000102499453 554941899 /nfs/dbraw/zinc/94/18/99/554941899.db2.gz OPCIXCFMPWFGKW-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(Cl)ccc2OC)CC[N@@H+](C)C4)cc1 ZINC000102499453 554941900 /nfs/dbraw/zinc/94/19/00/554941900.db2.gz OPCIXCFMPWFGKW-MHZLTWQESA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@@H+](C)CC4)cc1OC ZINC000102499718 554942128 /nfs/dbraw/zinc/94/21/28/554942128.db2.gz AXRRQZJDAULYGL-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc(NC(=O)N2Cc3c4c(sc3-n3cccc3[C@H]2c2ccc(Cl)cc2)C[N@H+](C)CC4)cc1OC ZINC000102499718 554942131 /nfs/dbraw/zinc/94/21/31/554942131.db2.gz AXRRQZJDAULYGL-HHHXNRCGSA-N 1 1 549.096 6.334 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(OC)cc(OC)c2)CC[N@H+](C)C4)cc1 ZINC000102499598 554942312 /nfs/dbraw/zinc/94/23/12/554942312.db2.gz DYUFUMLECJWJIC-NDEPHWFRSA-N 1 1 544.677 5.690 50 0 KKAAMO COc1ccc([C@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(OC)cc(OC)c2)CC[N@@H+](C)C4)cc1 ZINC000102499598 554942314 /nfs/dbraw/zinc/94/23/14/554942314.db2.gz DYUFUMLECJWJIC-NDEPHWFRSA-N 1 1 544.677 5.690 50 0 KKAAMO C[N@@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCCO4)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000102500020 554942597 /nfs/dbraw/zinc/94/25/97/554942597.db2.gz MBFTULLTRSHRLD-MHZLTWQESA-N 1 1 530.625 5.574 50 0 KKAAMO C[N@H+]1CCc2c(sc3c2CN(C(=O)Nc2ccc4c(c2)OCCO4)[C@@H](c2ccc(F)cc2)c2cccn2-3)C1 ZINC000102500020 554942598 /nfs/dbraw/zinc/94/25/98/554942598.db2.gz MBFTULLTRSHRLD-MHZLTWQESA-N 1 1 530.625 5.574 50 0 KKAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2CN(CC(C)C)C(=O)c2ccc(F)cc2)c1 ZINC000102576530 554971726 /nfs/dbraw/zinc/97/17/26/554971726.db2.gz WAVLQOGKLZLFIK-LEAFIULHSA-N 1 1 542.617 6.867 50 0 KKAAMO O=C(c1cc(C(F)(F)F)ccc1F)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000102592445 554974160 /nfs/dbraw/zinc/97/41/60/554974160.db2.gz CUIIZIWBPAFNGC-UHFFFAOYSA-N 1 1 569.426 7.105 50 0 KKAAMO Cc1noc(/C=C/c2ccc(C)cc2)c1S(=O)(=O)N1CCC(C(=O)N2CCC([N@@H+](C)C3CCCCC3)CC2)CC1 ZINC000102613053 554982520 /nfs/dbraw/zinc/98/25/20/554982520.db2.gz DTMAFDBXBCDVJR-BUHFOSPRSA-N 1 1 568.784 5.118 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)c1Oc1cccc(F)c1 ZINC000102620781 554986843 /nfs/dbraw/zinc/98/68/43/554986843.db2.gz TXOACVPKKGOOJX-HHHXNRCGSA-N 1 1 541.623 6.191 50 0 KKAAMO Cn1nc(-c2ccccc2)c(C[N@H+](Cc2ccco2)C[C@@H](O)COCc2ccccc2)c1Oc1cccc(F)c1 ZINC000102620781 554986847 /nfs/dbraw/zinc/98/68/47/554986847.db2.gz TXOACVPKKGOOJX-HHHXNRCGSA-N 1 1 541.623 6.191 50 0 KKAAMO Cc1ccc(/C=C2\C[N@H+](C)CC3=C2N=C2SC=C(c4ccc(Br)cc4)N2[C@H]3c2ccc(C)cc2)cc1 ZINC000102635330 554990412 /nfs/dbraw/zinc/99/04/12/554990412.db2.gz YNMDWUYVHVQQAK-YWWISXKNSA-N 1 1 554.557 7.807 50 0 KKAAMO COCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@@H](O)COCc1ccccc1 ZINC000102661956 555000753 /nfs/dbraw/zinc/00/07/53/555000753.db2.gz MOYQRMMVXGGGLE-MGBGTMOVSA-N 1 1 599.816 5.953 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000102664420 555001186 /nfs/dbraw/zinc/00/11/86/555001186.db2.gz ZYUXEJIHMGZJNZ-NFLLHDQJSA-N 1 1 534.015 5.508 50 0 KKAAMO O=C(c1ccc2ccccc2c1)[C@@H]1[C@@H]2CCC[N@@H+]2[C@]2(C(=O)Nc3ccc(Cl)cc32)[C@@]12C(=O)Nc1ccccc12 ZINC000102664420 555001188 /nfs/dbraw/zinc/00/11/88/555001188.db2.gz ZYUXEJIHMGZJNZ-NFLLHDQJSA-N 1 1 534.015 5.508 50 0 KKAAMO CC(C)(C)c1ccc2c(c1)N(Cc1cccc(C(=O)N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)c1)C(=O)CO2 ZINC000102681451 555005667 /nfs/dbraw/zinc/00/56/67/555005667.db2.gz GJZKIZZDQNIXDF-UHFFFAOYSA-N 1 1 573.737 6.457 50 0 KKAAMO COc1ccc(CNC(=O)CC[C@H]2C[N@H+](Cc3cccc(Cl)c3)CC[C@H]2N2CCN(c3ccccc3OC)CC2)cc1 ZINC000102684141 555006667 /nfs/dbraw/zinc/00/66/67/555006667.db2.gz LCSGFXWGJVHZAT-QCENPCRXSA-N 1 1 591.196 5.467 50 0 KKAAMO COc1ccc(CNC(=O)CC[C@H]2C[N@@H+](Cc3cccc(Cl)c3)CC[C@H]2N2CCN(c3ccccc3OC)CC2)cc1 ZINC000102684141 555006669 /nfs/dbraw/zinc/00/66/69/555006669.db2.gz LCSGFXWGJVHZAT-QCENPCRXSA-N 1 1 591.196 5.467 50 0 KKAAMO O=C(Nc1ccc2c(c1)OCCCO2)N1CC[NH+](CCCOC(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1 ZINC000102721671 555020495 /nfs/dbraw/zinc/02/04/95/555020495.db2.gz KGQKMEAFBHOXAR-UHFFFAOYSA-N 1 1 570.517 6.501 50 0 KKAAMO Cc1ccccc1CN1C(=O)/C(=C\c2ccc(C(=O)NCC[NH+]3CCN(c4cccc(Cl)c4)CC3)cc2)Sc2ccccc21 ZINC000102787443 555068054 /nfs/dbraw/zinc/06/80/54/555068054.db2.gz CASMYSVRXQIPDH-PPFNPFNJSA-N 1 1 623.222 6.880 50 0 KKAAMO Cc1cccc(CN2c3cc(C(=O)NCCC[N@H+]4CCc5ccccc5C4)ccc3S/C(=C\c3ccccc3)C2=O)c1 ZINC000102788283 555068271 /nfs/dbraw/zinc/06/82/71/555068271.db2.gz MCOFBGSQGCDHEZ-VQNDASPWSA-N 1 1 573.762 6.853 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000102888323 555121548 /nfs/dbraw/zinc/12/15/48/555121548.db2.gz DRIHSNFSDAAMGQ-HPQIJTKRSA-N 1 1 553.540 6.013 50 0 KKAAMO O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000102888323 555121551 /nfs/dbraw/zinc/12/15/51/555121551.db2.gz DRIHSNFSDAAMGQ-HPQIJTKRSA-N 1 1 553.540 6.013 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@H+]23)cc1 ZINC000102897329 555137529 /nfs/dbraw/zinc/13/75/29/555137529.db2.gz IOHJNHCBHSXXMW-LIONHTAISA-N 1 1 567.951 5.522 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[N@@H+]23)cc1 ZINC000102897329 555137532 /nfs/dbraw/zinc/13/75/32/555137532.db2.gz IOHJNHCBHSXXMW-LIONHTAISA-N 1 1 567.951 5.522 50 0 KKAAMO COc1ccc(NC(=O)N2CC[NH+](CCCOC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)c(C)c1 ZINC000102903066 555140755 /nfs/dbraw/zinc/14/07/55/555140755.db2.gz BBSACTVJUQIGAN-UHFFFAOYSA-N 1 1 542.507 6.656 50 0 KKAAMO COc1ccc(Cl)cc1N=[P@]1(N2CC[NH+](C)CC2)/C(=C2/N(C)c3ccccc3C2(C)C)C=NN1c1ccccc1 ZINC000102939955 555168534 /nfs/dbraw/zinc/16/85/34/555168534.db2.gz DFICBGRZGLMMSC-VYWGKUPRSA-N 1 1 575.097 7.404 50 0 KKAAMO O=C(c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc21)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000102976384 555186282 /nfs/dbraw/zinc/18/62/82/555186282.db2.gz CTNMBEXIWHFPMQ-UHFFFAOYSA-N 1 1 559.713 8.116 50 0 KKAAMO CCN(CC)S(=O)(=O)c1cccc(-c2nn(C[NH+](CC(C)C)CC(C)C)c(=S)n2Cc2ccccc2)c1 ZINC000102992233 555192911 /nfs/dbraw/zinc/19/29/11/555192911.db2.gz CTBOXUUTYLPLFB-UHFFFAOYSA-N 1 1 543.803 5.731 50 0 KKAAMO Cc1cc(C(=O)N2CC[NH+](CCCOC(c3ccc(Cl)cc3)c3ccc(Cl)cc3)CC2)cc(Cl)n1 ZINC000103024790 555215125 /nfs/dbraw/zinc/21/51/25/555215125.db2.gz ZSTKTYFAFWPVMA-UHFFFAOYSA-N 1 1 532.899 6.304 50 0 KKAAMO O=C(CCCNC(=O)OCc1ccccc1)N1CC[NH+](Cc2ccc(-c3noc(-c4cccc(C(F)(F)F)c4)n3)cc2)CC1 ZINC000103026063 555216123 /nfs/dbraw/zinc/21/61/23/555216123.db2.gz GKOJCGIRGRVEMU-UHFFFAOYSA-N 1 1 607.633 5.773 50 0 KKAAMO CN(c1ccc(OCC(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103035407 555222567 /nfs/dbraw/zinc/22/25/67/555222567.db2.gz WPRGMRONAAFDKR-UHFFFAOYSA-N 1 1 590.145 5.478 50 0 KKAAMO Cc1nc(SCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1C ZINC000103050825 555232995 /nfs/dbraw/zinc/23/29/95/555232995.db2.gz FERZICMJGKMXPD-UHFFFAOYSA-N 1 1 584.712 5.119 50 0 KKAAMO CCCCCc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000103061125 555242399 /nfs/dbraw/zinc/24/23/99/555242399.db2.gz NYZYFSQUXJQTBB-YTTGMZPUSA-N 1 1 543.777 6.111 50 0 KKAAMO CCCCCc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000103061125 555242403 /nfs/dbraw/zinc/24/24/03/555242403.db2.gz NYZYFSQUXJQTBB-YTTGMZPUSA-N 1 1 543.777 6.111 50 0 KKAAMO CCCC[N@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(C)(C)C)cc1)C[C@H](O)COCc1ccco1 ZINC000103072380 555252360 /nfs/dbraw/zinc/25/23/60/555252360.db2.gz CQHXEODWKVDYAN-PMERELPUSA-N 1 1 573.778 6.310 50 0 KKAAMO CCCC[N@@H+](CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)Cc1cc(C)ccc1C ZINC000103074226 555253715 /nfs/dbraw/zinc/25/37/15/555253715.db2.gz XLRLXJZVNQSMAT-UHFFFAOYSA-N 1 1 550.574 7.965 50 0 KKAAMO Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000103123065 555291582 /nfs/dbraw/zinc/29/15/82/555291582.db2.gz GSFVNNWWCSFKHF-MXBOTTGLSA-N 1 1 552.656 7.844 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCCN(C(=O)C[N@@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000103133668 555303246 /nfs/dbraw/zinc/30/32/46/555303246.db2.gz OEQBNYFXVKTZDM-HKBQPEDESA-N 1 1 545.749 5.558 50 0 KKAAMO CCCCOc1ccc(C(=O)N2CCCN(C(=O)C[N@H+]3CCc4sccc4[C@@H]3c3ccccc3C)CC2)cc1 ZINC000103133668 555303250 /nfs/dbraw/zinc/30/32/50/555303250.db2.gz OEQBNYFXVKTZDM-HKBQPEDESA-N 1 1 545.749 5.558 50 0 KKAAMO CCOCCCN1C(=O)c2ccccc2[C@H]1Nc1ccc(C(=O)N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000103183159 555329971 /nfs/dbraw/zinc/32/99/71/555329971.db2.gz XZXGILBNFCRPBX-DHUJRADRSA-N 1 1 588.752 6.227 50 0 KKAAMO C[NH+]1CCN(c2onc(-c3ccc(F)cc3)c2CN(Cc2ccccc2)C(=S)Nc2ccc(F)cc2)CC1 ZINC000103204936 555338855 /nfs/dbraw/zinc/33/88/55/555338855.db2.gz ZLCZLXPJHSQUIJ-UHFFFAOYSA-N 1 1 533.648 5.771 50 0 KKAAMO COc1ccc(-n2nc3nc(N4CC[NH+](Cc5ccc(Cl)cc5)CC4)nc(-c4cccc(F)c4)c3c2N)cc1 ZINC000103248101 555343731 /nfs/dbraw/zinc/34/37/31/555343731.db2.gz UYMPARMLUSYKJC-UHFFFAOYSA-N 1 1 544.034 5.188 50 0 KKAAMO Cc1cccc(CS(=O)(=O)c2ncc(CN(CC[NH+](C)C)C(=S)Nc3ccc(F)cc3)n2C2CCCCC2)c1 ZINC000103298773 555355183 /nfs/dbraw/zinc/35/51/83/555355183.db2.gz BFCJTSNDIPXEQY-UHFFFAOYSA-N 1 1 571.788 5.570 50 0 KKAAMO O=C(c1cc2sc(Br)cc2n1Cc1cccc(Cl)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000103339162 555361670 /nfs/dbraw/zinc/36/16/70/555361670.db2.gz IBDQZTIGJHBNOX-UHFFFAOYSA-N 1 1 528.903 6.125 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccc(F)c2)CCN1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000103363158 555365285 /nfs/dbraw/zinc/36/52/85/555365285.db2.gz SGHUENSJVVOIES-MYUZEXMDSA-N 1 1 575.537 6.296 50 0 KKAAMO CO[C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3c(-c4ccc(C)cc4)nc4ccc(-c5ccccc5Cl)cn43)CC2)C1 ZINC000103372867 555367731 /nfs/dbraw/zinc/36/77/31/555367731.db2.gz GEMCPGHCOXEHRM-BDYUSTAISA-N 1 1 557.138 6.480 50 0 KKAAMO CC[NH+]1CCN(C(=O)c2ccccc2CSc2nnc(-c3ccc(C)cc3)n2-c2cccc(C(F)(F)F)c2)CC1 ZINC000103419611 555400164 /nfs/dbraw/zinc/40/01/64/555400164.db2.gz GFRMLLQYAHHMFA-UHFFFAOYSA-N 1 1 565.665 6.332 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)c2ccc(OCc3ccccc3)c(OC)c2)CC1 ZINC000103420689 555401126 /nfs/dbraw/zinc/40/11/26/555401126.db2.gz MQESRLYRROMYAB-MGBGTMOVSA-N 1 1 587.764 6.963 50 0 KKAAMO CC[NH+]1CCN(C(=O)C[C@@H](c2cn(Cc3ccc(F)cc3)c3ccccc23)c2cccc(C(F)(F)F)c2)CC1 ZINC000103483253 555421013 /nfs/dbraw/zinc/42/10/13/555421013.db2.gz XAABDTJMFQPEHS-HHHXNRCGSA-N 1 1 537.601 6.534 50 0 KKAAMO COc1cc(NC(=O)C2(N(C[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C(=O)c3ccc(Cl)cc3)CCCC2)cc(OC)c1 ZINC000103578583 555451271 /nfs/dbraw/zinc/45/12/71/555451271.db2.gz ICIIJZSWXYZDKU-FIPFOOKPSA-N 1 1 554.131 6.015 50 0 KKAAMO COc1cc2c3c(c1O)-c1cc(OC)c(Oc4cc(OC)c(OC)cc4C[C@H]4c5cc(OC)c(OC)cc5CC[N@@H+]4C)cc1C[C@@H]3N(C)CC2 ZINC000165710147 562850306 /nfs/dbraw/zinc/85/03/06/562850306.db2.gz DRACRVAKPKYPSB-VMPREFPWSA-N 1 1 682.814 6.760 50 0 KKAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2[S@@]3=O)C1 ZINC000169290828 562851815 /nfs/dbraw/zinc/85/18/15/562851815.db2.gz WBNPBXSTUXIXRN-SEYIBYQZSA-N 1 1 550.124 5.519 50 0 KKAAMO COc1ccc2cc3n(c2c1)C[C@](C)(C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)N(Cc1ccccc1Cl)C3=O ZINC000104147805 571375194 /nfs/dbraw/zinc/37/51/94/571375194.db2.gz MZHCOPLNARTXDR-ITOWZWGRSA-N 1 1 551.131 5.202 50 0 KKAAMO Cc1cccc(N2CC[N@H+](CCCNC(=O)[C@@H]3c4ccccc4C(=O)N(CC(C)C)[C@@H]3c3cccs3)C[C@H]2C)c1 ZINC000104147460 571375214 /nfs/dbraw/zinc/37/52/14/571375214.db2.gz DQWOZLGJVALEIT-KVXGTOJUSA-N 1 1 558.792 5.710 50 0 KKAAMO O=C(NCc1ccccc1F)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@@H+](CCc3ccccc3)C[C@H]12 ZINC000104917617 571387587 /nfs/dbraw/zinc/38/75/87/571387587.db2.gz GEDCOQQPMHRGRC-RPLLCQBOSA-N 1 1 511.563 5.067 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@H+](Cc3cccc(C(F)(F)F)c3)[C@H](C)C(C)C)n2)C1 ZINC000104962681 571388560 /nfs/dbraw/zinc/38/85/60/571388560.db2.gz MTGSXIHYCJSSAY-UYAOXDASSA-N 1 1 509.569 5.155 50 0 KKAAMO CCOC(=O)[C@@H]1CCCN(C(=O)c2coc(C[N@@H+](Cc3cccc(C(F)(F)F)c3)[C@H](C)C(C)C)n2)C1 ZINC000104962681 571388561 /nfs/dbraw/zinc/38/85/61/571388561.db2.gz MTGSXIHYCJSSAY-UYAOXDASSA-N 1 1 509.569 5.155 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984917 571388684 /nfs/dbraw/zinc/38/86/84/571388684.db2.gz MIZTXTUWYORWFL-DHIUTWEWSA-N 1 1 517.428 5.876 50 0 KKAAMO Cc1ccccc1OC[C@H](O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984917 571388686 /nfs/dbraw/zinc/38/86/86/571388686.db2.gz MIZTXTUWYORWFL-DHIUTWEWSA-N 1 1 517.428 5.876 50 0 KKAAMO O[C@@H](COc1ccccc1)C[N@@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983349 571388693 /nfs/dbraw/zinc/38/86/93/571388693.db2.gz QCJNAHJYVVTTGL-FYYLOGMGSA-N 1 1 519.856 6.082 50 0 KKAAMO O[C@@H](COc1ccccc1)C[N@H+](Cc1cccc(Cl)c1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104983349 571388694 /nfs/dbraw/zinc/38/86/94/571388694.db2.gz QCJNAHJYVVTTGL-FYYLOGMGSA-N 1 1 519.856 6.082 50 0 KKAAMO O[C@@H](COCc1ccco1)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 ZINC000104984904 571388808 /nfs/dbraw/zinc/38/88/08/571388808.db2.gz YWJCPDUGNPGTHU-IFMALSPDSA-N 1 1 507.389 5.298 50 0 KKAAMO CC[N@H+](CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C[C@H](O)COCc1ccccc1 ZINC000105003790 571388892 /nfs/dbraw/zinc/38/88/92/571388892.db2.gz JUYMECFYFTYQJZ-LITSAYRRSA-N 1 1 536.738 5.276 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@H+](C[C@@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000105000993 571389042 /nfs/dbraw/zinc/38/90/42/571389042.db2.gz XRCKDGJZNFKXAW-RPWUZVMVSA-N 1 1 515.601 5.018 50 0 KKAAMO Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1C[N@@H+](C[C@@H](O)COC(C)C)C[C@@H]1CCCO1 ZINC000105000993 571389044 /nfs/dbraw/zinc/38/90/44/571389044.db2.gz XRCKDGJZNFKXAW-RPWUZVMVSA-N 1 1 515.601 5.018 50 0 KKAAMO Cc1cccc(C[N@@H+]2CCc3ccc(O[C@H](C)C(=O)NCc4cccc(F)c4)cc3[C@H]2c2ccccc2)c1 ZINC000105023108 571389461 /nfs/dbraw/zinc/38/94/61/571389461.db2.gz JGCONOBZURGCRR-GPNASLBKSA-N 1 1 508.637 6.366 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(F)c(F)c2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105042056 571390126 /nfs/dbraw/zinc/39/01/26/571390126.db2.gz OQDQWEHJGKJEQU-SVEHJYQDSA-N 1 1 520.639 7.103 50 0 KKAAMO COc1cc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H](CN(CC(C)C)C(=O)c3ccccc3F)C2)cc(OC)c1 ZINC000105041359 571390142 /nfs/dbraw/zinc/39/01/42/571390142.db2.gz ZXOFJOFVHPIAAQ-IRPSRAIASA-N 1 1 504.646 5.857 50 0 KKAAMO Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CN(C(=O)c1ccc(F)cc1)C1CCCCC1 ZINC000105041668 571390150 /nfs/dbraw/zinc/39/01/50/571390150.db2.gz GSFVNNWWCSFKHF-HVNZXBJASA-N 1 1 552.656 7.844 50 0 KKAAMO CC(C)c1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@H]2C)cc1 ZINC000105060494 571390786 /nfs/dbraw/zinc/39/07/86/571390786.db2.gz FCXWUYCGGPJHNB-YKGWIAGDSA-N 1 1 548.728 6.113 50 0 KKAAMO Cc1ccccc1[C@H]1c2ccsc2CC[N@@H+]1[C@H](C)C(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000105060331 571390855 /nfs/dbraw/zinc/39/08/55/571390855.db2.gz RFSYZUIEKFFPTC-BCHFMIIMSA-N 1 1 542.532 5.684 50 0 KKAAMO COC(=O)[C@H](Cc1ccc(NC(=O)C[NH2+]C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1)NC(=O)OC(C)(C)C ZINC000108803768 571426592 /nfs/dbraw/zinc/42/65/92/571426592.db2.gz ZDDUFARUINSJSG-HKBQPEDESA-N 1 1 593.724 5.816 50 0 KKAAMO COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4C)c(C(F)(F)F)oc3c2C[NH+]2CCC(C)CC2)cc1OC ZINC000150389026 571471428 /nfs/dbraw/zinc/47/14/28/571471428.db2.gz ZADAPADCSUSADX-UHFFFAOYSA-N 1 1 639.667 7.998 50 0 KKAAMO COc1ccc(C(C2C(=O)NC(=S)[C@@H](c3ccccc3C)C2=O)C2C(=O)NC(=S)[C@@H](c3ccccc3C)C2=O)cc1C[NH+]1CCCCC1 ZINC000150452044 571503226 /nfs/dbraw/zinc/50/32/26/571503226.db2.gz LNWDOZXUBGBRET-KYJUHHDHSA-N 1 1 681.880 7.310 50 0 KKAAMO COc1ccc(C(C2C(=O)NC(=S)[C@@H](c3ccccc3OC)C2=O)C2C(=O)NC(=S)[C@@H](c3ccccc3OC)C2=O)cc1C[NH+]1CCCCC1 ZINC000150453505 571503575 /nfs/dbraw/zinc/50/35/75/571503575.db2.gz OENHLHXEBRHHIS-KYJUHHDHSA-N 1 1 713.878 6.711 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccc(C)cc3[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000150683442 571529033 /nfs/dbraw/zinc/52/90/33/571529033.db2.gz LRGYBFLJIOVOAW-KYDXGADESA-N 1 1 724.327 6.654 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccc(C)cc3[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000150683442 571529034 /nfs/dbraw/zinc/52/90/34/571529034.db2.gz LRGYBFLJIOVOAW-KYDXGADESA-N 1 1 724.327 6.654 50 0 KKAAMO Cc1ccc2c(c1)[C@@H]1C[NH+](C)CC[C@@H]1N2C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2c3ccc(C)cc3[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000150683442 571529035 /nfs/dbraw/zinc/52/90/35/571529035.db2.gz LRGYBFLJIOVOAW-KYDXGADESA-N 1 1 724.327 6.654 50 0 KKAAMO O[C@@H](Cn1c2ccc(Br)cc2c2cc(Br)ccc21)CN1CC[NH+](C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)CC1 ZINC000158988301 571529930 /nfs/dbraw/zinc/52/99/30/571529930.db2.gz NSLBTBGUFUPTCR-FTJBHMTQSA-N 1 1 759.370 7.774 50 0 KKAAMO CSc1ccc(NC(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169677355 571554679 /nfs/dbraw/zinc/55/46/79/571554679.db2.gz KBOITOQUUWEKPB-WTYVLRPYSA-N 1 1 552.741 5.712 50 0 KKAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000169677788 571555238 /nfs/dbraw/zinc/55/52/38/571555238.db2.gz SXXSYXTZECCWKB-DLBZAZTESA-N 1 1 516.530 5.645 50 0 KKAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cn2c(n1)CC[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C2 ZINC000169677787 571555337 /nfs/dbraw/zinc/55/53/37/571555337.db2.gz SXXSYXTZECCWKB-IAGOWNOFSA-N 1 1 516.530 5.645 50 0 KKAAMO O=C(NCCc1cccs1)[C@@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679099 571556244 /nfs/dbraw/zinc/55/62/44/571556244.db2.gz LJTKYKHOOQYBBA-NOZRDPDXSA-N 1 1 517.592 5.128 50 0 KKAAMO O=C(NCCc1cccs1)[C@H]1Cc2cc(C(F)(F)F)ccc2N2CC[N@H+](Cc3ccc(F)cc3)C[C@@H]12 ZINC000169679100 571556290 /nfs/dbraw/zinc/55/62/90/571556290.db2.gz LJTKYKHOOQYBBA-ZCYQVOJMSA-N 1 1 517.592 5.128 50 0 KKAAMO CCc1ccc(C(=O)N2CCN(C(=O)CC[N@H+]3CCc4sccc4[C@H]3c3cccc(F)c3)C[C@@H]2C)cc1 ZINC000169680887 571557280 /nfs/dbraw/zinc/55/72/80/571557280.db2.gz YGVLIVLQCUTCGO-KCWXNJEJSA-N 1 1 519.686 5.160 50 0 KKAAMO Cc1c2cc3c(cc2oc(=O)c1CCC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)OC1(CCCCC1)CC3 ZINC000170613374 571561929 /nfs/dbraw/zinc/56/19/29/571561929.db2.gz YCIUCRDWESOBAM-BVAGGSTKSA-N 1 1 506.687 5.443 50 0 KKAAMO Cc1c2occ(-c3ccc(Cl)cc3)c2cc2c(C)c(CC(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)c(=O)oc12 ZINC000170613394 571561955 /nfs/dbraw/zinc/56/19/55/571561955.db2.gz JWHCSLSSRVHCLF-IDISGSTGSA-N 1 1 533.068 6.400 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCCC2=CCCCC2)CC1 ZINC000299779051 572136204 /nfs/dbraw/zinc/13/62/04/572136204.db2.gz JKYINRMMXGMELH-IGYGKHONSA-N 1 1 579.229 6.148 50 0 KKAAMO COc1ccccc1N1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C[C@@H]2CCC(=O)NCCC2=CCCCC2)CC1 ZINC000299779051 572136207 /nfs/dbraw/zinc/13/62/07/572136207.db2.gz JKYINRMMXGMELH-IGYGKHONSA-N 1 1 579.229 6.148 50 0 KKAAMO Cc1cc(C(=O)NC[C@@H]2C[C@@H](OC(=O)c3cc(C)c(Br)cc3C)C[N@H+]2C)c(C)cc1Br ZINC000328597098 572146164 /nfs/dbraw/zinc/14/61/64/572146164.db2.gz DJVFMUBDTIQGIP-ZWKOTPCHSA-N 1 1 552.307 5.105 50 0 KKAAMO Cc1cc(C(=O)NC[C@@H]2C[C@@H](OC(=O)c3cc(C)c(Br)cc3C)C[N@@H+]2C)c(C)cc1Br ZINC000328597098 572146168 /nfs/dbraw/zinc/14/61/68/572146168.db2.gz DJVFMUBDTIQGIP-ZWKOTPCHSA-N 1 1 552.307 5.105 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)[C@H]1c1cccs1)Cc1ccccc1 ZINC000230077230 572182804 /nfs/dbraw/zinc/18/28/04/572182804.db2.gz GJBGVNWKVVQVRR-WDYNHAJCSA-N 1 1 515.723 6.000 50 0 KKAAMO CC[N@@H+](CCCNC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccc(F)cc1)Cc1ccccc1 ZINC000245235031 572209872 /nfs/dbraw/zinc/20/98/72/572209872.db2.gz GZALGSHCPGBAGE-DGPALRBDSA-N 1 1 517.645 5.347 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@@H+]32)cc1 ZINC000245246105 572218772 /nfs/dbraw/zinc/21/87/72/572218772.db2.gz IOHJNHCBHSXXMW-NGSHPTGOSA-N 1 1 567.951 5.522 50 0 KKAAMO COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(C(F)(F)F)c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=C[N@H+]32)cc1 ZINC000245246105 572218775 /nfs/dbraw/zinc/21/87/75/572218775.db2.gz IOHJNHCBHSXXMW-NGSHPTGOSA-N 1 1 567.951 5.522 50 0 KKAAMO CC(C)N(C[C@H]1C[N@@H+](Cc2cccn2C)C[C@H]1c1cccc(C(F)(F)F)c1)C(=O)c1ccc(F)cc1 ZINC000245279051 572224045 /nfs/dbraw/zinc/22/40/45/572224045.db2.gz BANXZYFKGPGFNK-GJZUVCINSA-N 1 1 501.568 5.949 50 0 KKAAMO CC[N@H+]1CCN2c3cccc(Cl)c3CC3(C(=O)N(c4ccc(C)cc4)C(=O)N(c4ccc(C)cc4)C3=O)[C@H]2C1 ZINC000245325690 572231860 /nfs/dbraw/zinc/23/18/60/572231860.db2.gz HHIDFPDEMOFTKO-HHHXNRCGSA-N 1 1 543.067 5.210 50 0 KKAAMO C[C@@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)c1ccc(Cl)cc1 ZINC000245328435 572234900 /nfs/dbraw/zinc/23/49/00/572234900.db2.gz OLTYFLBAIKJLOR-XHCCPWGMSA-N 1 1 526.077 5.251 50 0 KKAAMO C[N@@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@]12c1ccccc1N(Cc1cccc(Cl)c1)C2=O ZINC000245343213 572237627 /nfs/dbraw/zinc/23/76/27/572237627.db2.gz IFUCFNDIDHCYIO-LIUITUQLSA-N 1 1 525.023 6.450 50 0 KKAAMO C[N@H+]1C[C@H](c2ccc(F)cc2)[C@H](C(=O)c2ccccc2)[C@]12c1ccccc1N(Cc1cccc(Cl)c1)C2=O ZINC000245343213 572237631 /nfs/dbraw/zinc/23/76/31/572237631.db2.gz IFUCFNDIDHCYIO-LIUITUQLSA-N 1 1 525.023 6.450 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000245343787 572240253 /nfs/dbraw/zinc/24/02/53/572240253.db2.gz ZUBFLAGZJNQECR-XRHLQHRESA-N 1 1 596.577 5.453 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247489412 572242468 /nfs/dbraw/zinc/24/24/68/572242468.db2.gz LWIRKDPQTAGSSN-UHFFFAOYSA-N 1 1 582.340 6.079 50 0 KKAAMO O=C(NCc1ccc(Br)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247488279 572242595 /nfs/dbraw/zinc/24/25/95/572242595.db2.gz LLMGXIPNHFPWMU-HXUWFJFHSA-N 1 1 582.340 6.079 50 0 KKAAMO O=C(Nc1cccc(Cl)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000247480486 572242646 /nfs/dbraw/zinc/24/26/46/572242646.db2.gz ITFCHYHPQDLCQM-SFHVURJKSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247513994 572242916 /nfs/dbraw/zinc/24/29/16/572242916.db2.gz VAADOJFZBDOBQI-IBGZPJMESA-N 1 1 511.428 6.381 50 0 KKAAMO O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247513994 572242917 /nfs/dbraw/zinc/24/29/17/572242917.db2.gz VAADOJFZBDOBQI-IBGZPJMESA-N 1 1 511.428 6.381 50 0 KKAAMO O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247514007 572242939 /nfs/dbraw/zinc/24/29/39/572242939.db2.gz VAADOJFZBDOBQI-LJQANCHMSA-N 1 1 511.428 6.381 50 0 KKAAMO O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247514007 572242941 /nfs/dbraw/zinc/24/29/41/572242941.db2.gz VAADOJFZBDOBQI-LJQANCHMSA-N 1 1 511.428 6.381 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247722521 572243647 /nfs/dbraw/zinc/24/36/47/572243647.db2.gz BKUCOXMNQSTJTM-UHFFFAOYSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1ccc(Br)cc1)C1CC[NH+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1 ZINC000247720846 572243718 /nfs/dbraw/zinc/24/37/18/572243718.db2.gz ALRZBAMGBZBMRS-UHFFFAOYSA-N 1 1 537.889 6.351 50 0 KKAAMO O=C(Nc1ccc(F)cc1)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247724770 572243821 /nfs/dbraw/zinc/24/38/21/572243821.db2.gz CYNIITRKXQWVPM-GOSISDBHSA-N 1 1 507.407 5.778 50 0 KKAAMO O=C(Nc1ccccc1Cl)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247725687 572243830 /nfs/dbraw/zinc/24/38/30/572243830.db2.gz DKBLMURVDFFAAZ-UHFFFAOYSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247749986 572244342 /nfs/dbraw/zinc/24/43/42/572244342.db2.gz SXYMYBIARGIVHI-FQEVSTJZSA-N 1 1 526.990 6.608 50 0 KKAAMO O=C(Nc1ccccc1C(F)(F)F)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1 ZINC000247749986 572244344 /nfs/dbraw/zinc/24/43/44/572244344.db2.gz SXYMYBIARGIVHI-FQEVSTJZSA-N 1 1 526.990 6.608 50 0 KKAAMO O=C(Nc1ccccc1Cl)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247744039 572244491 /nfs/dbraw/zinc/24/44/91/572244491.db2.gz PNGLQQSVNUALDV-GOSISDBHSA-N 1 1 523.862 6.292 50 0 KKAAMO O=C(Nc1cccc(Cl)c1Cl)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1 ZINC000247750060 572244508 /nfs/dbraw/zinc/24/45/08/572244508.db2.gz TUTBWMJPQYUWSF-UHFFFAOYSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(Nc1ccccc1C(F)(F)F)C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)CC1 ZINC000247759404 572244604 /nfs/dbraw/zinc/24/46/04/572244604.db2.gz ZKGDZYIWPGFAHU-UHFFFAOYSA-N 1 1 557.414 6.658 50 0 KKAAMO O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1 ZINC000247759695 572244968 /nfs/dbraw/zinc/24/49/68/572244968.db2.gz ZXVUQBALAWJPAL-KRWDZBQOSA-N 1 1 558.307 6.946 50 0 KKAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)CC2)CC1 ZINC000247797191 572245069 /nfs/dbraw/zinc/24/50/69/572245069.db2.gz DCTMGBKSHIXEDV-UHFFFAOYSA-N 1 1 655.424 6.291 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000247843261 572245928 /nfs/dbraw/zinc/24/59/28/572245928.db2.gz GEGYXXFPPKOILD-QFIPXVFZSA-N 1 1 592.969 6.002 50 0 KKAAMO O=C([C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(c2ccccc2Cl)CC1 ZINC000247839132 572245960 /nfs/dbraw/zinc/24/59/60/572245960.db2.gz DWNZHSXQBYYBMB-QFIPXVFZSA-N 1 1 592.969 6.002 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000247844073 572246002 /nfs/dbraw/zinc/24/60/02/572246002.db2.gz GJVFSMLZEQNNMY-QHCPKHFHSA-N 1 1 596.990 6.606 50 0 KKAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[N@@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000247842371 572246064 /nfs/dbraw/zinc/24/60/64/572246064.db2.gz QRJFSCJTYDLBIC-FZTAYZORSA-N 1 1 576.878 5.426 50 0 KKAAMO Cc1c2c(ccc1Cl)[C@@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@H](C(=O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000247842371 572246065 /nfs/dbraw/zinc/24/60/65/572246065.db2.gz QRJFSCJTYDLBIC-FZTAYZORSA-N 1 1 576.878 5.426 50 0 KKAAMO Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)c1 ZINC000247854193 572246508 /nfs/dbraw/zinc/24/65/08/572246508.db2.gz BWDHGCXQRRMCJV-MHZLTWQESA-N 1 1 556.154 5.916 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5cccc(Cl)c5)CC4)CC3)nc3ccccc32)cc1 ZINC000247866329 572246789 /nfs/dbraw/zinc/24/67/89/572246789.db2.gz AYYOMEPAARTMFH-UHFFFAOYSA-N 1 1 558.126 5.307 50 0 KKAAMO O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000247864520 572246890 /nfs/dbraw/zinc/24/68/90/572246890.db2.gz NZCXCVFOHKFAFN-RUZDIDTESA-N 1 1 572.551 5.344 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)CC3)nc3ccccc32)cc1 ZINC000247867326 572246906 /nfs/dbraw/zinc/24/69/06/572246906.db2.gz BHVVHNJPMHCEHZ-UHFFFAOYSA-N 1 1 591.678 5.673 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@H](C(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)C3)nc3ccccc32)cc1 ZINC000247867315 572246912 /nfs/dbraw/zinc/24/69/12/572246912.db2.gz BHPQXGWUAADBSP-VWLOTQADSA-N 1 1 591.678 5.673 50 0 KKAAMO O=C(C1CC[NH+](Cc2nc3ccccc3n2-c2ccc(F)cc2)CC1)N1CCN(c2ccccc2Cl)CC1 ZINC000247874506 572247408 /nfs/dbraw/zinc/24/74/08/572247408.db2.gz SIMURTGBNDYLKM-UHFFFAOYSA-N 1 1 532.063 5.379 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)N4CCN(c5ccccc5Cl)CC4)C3)nc3ccccc32)cc1 ZINC000247874532 572247467 /nfs/dbraw/zinc/24/74/67/572247467.db2.gz GMSWFSPBGHZSCQ-RUZDIDTESA-N 1 1 558.126 5.307 50 0 KKAAMO COc1ccc(Cn2c(C[NH+]3CCC(C(=O)Nc4ccc(Br)cc4)CC3)nc3ccccc32)cc1 ZINC000247875699 572247516 /nfs/dbraw/zinc/24/75/16/572247516.db2.gz GSDBQFDQESRMRV-UHFFFAOYSA-N 1 1 533.470 5.706 50 0 KKAAMO Cc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)c(C)c1 ZINC000247873086 572247573 /nfs/dbraw/zinc/24/75/73/572247573.db2.gz MILVRFFKDOKSTD-UHFFFAOYSA-N 1 1 517.471 6.256 50 0 KKAAMO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3n2Cc2ccc(Cl)cc2)C1)N1CCN(c2ccccc2)CC1 ZINC000247881315 572248070 /nfs/dbraw/zinc/24/80/70/572248070.db2.gz VSALLOTZMOVXMY-VWLOTQADSA-N 1 1 528.100 5.299 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000247911202 572249339 /nfs/dbraw/zinc/24/93/39/572249339.db2.gz LHADHGYKPBKRIF-BANVDVKSSA-N 1 1 556.062 5.452 50 0 KKAAMO CCCOc1ccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@]3(C(=O)Nc4c3cc(Cl)cc4C)[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000247911202 572249341 /nfs/dbraw/zinc/24/93/41/572249341.db2.gz LHADHGYKPBKRIF-BANVDVKSSA-N 1 1 556.062 5.452 50 0 KKAAMO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3Cc3ccc(Cl)cc3)C2)cc1 ZINC000247921511 572249536 /nfs/dbraw/zinc/24/95/36/572249536.db2.gz XUDAYJMTMXPOLY-QHCPKHFHSA-N 1 1 503.046 5.275 50 0 KKAAMO COc1ccc(Cn2c(C[N@@H+]3CCC[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)nc3ccccc32)cc1 ZINC000247922796 572249543 /nfs/dbraw/zinc/24/95/43/572249543.db2.gz YHKCJHKLWONJAB-HXUWFJFHSA-N 1 1 507.009 5.736 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)Nc4ccc(F)c(Cl)c4)C3)nc3ccccc32)cc1 ZINC000247922796 572249545 /nfs/dbraw/zinc/24/95/45/572249545.db2.gz YHKCJHKLWONJAB-HXUWFJFHSA-N 1 1 507.009 5.736 50 0 KKAAMO COc1ccc(Cn2c(C[N@H+]3CCC[C@@H](C(=O)NCc4ccc(Br)cc4)C3)nc3ccccc32)cc1 ZINC000247924256 572249592 /nfs/dbraw/zinc/24/95/92/572249592.db2.gz YVANHRDAMSFUEQ-HSZRJFAPSA-N 1 1 547.497 5.384 50 0 KKAAMO COc1ccc(CNC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)cc1 ZINC000247921721 572249657 /nfs/dbraw/zinc/24/96/57/572249657.db2.gz YBRKITHYQRTRLJ-NRFANRHFSA-N 1 1 533.470 5.325 50 0 KKAAMO O=C(c1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)CC1 ZINC000247939338 572249943 /nfs/dbraw/zinc/24/99/43/572249943.db2.gz OXOWYCXGJMAYHO-JOCHJYFZSA-N 1 1 655.424 6.291 50 0 KKAAMO Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)c1 ZINC000247975227 572251148 /nfs/dbraw/zinc/25/11/48/572251148.db2.gz CHCUKDXHYSUCOW-HXUWFJFHSA-N 1 1 503.444 5.947 50 0 KKAAMO CCCCN(C(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2ccc(Br)cc2)C1)C(C)C ZINC000248014111 572252241 /nfs/dbraw/zinc/25/22/41/572252241.db2.gz SEEMXGBPRPORIF-NRFANRHFSA-N 1 1 511.508 6.037 50 0 KKAAMO Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(Br)cc3)C2)c1C ZINC000248059692 572252990 /nfs/dbraw/zinc/25/29/90/572252990.db2.gz CUWXCWCBURIDAX-NRFANRHFSA-N 1 1 517.471 6.256 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000248085863 572253237 /nfs/dbraw/zinc/25/32/37/572253237.db2.gz FJKJDMZJSROZEX-DEOSSOPVSA-N 1 1 572.551 5.657 50 0 KKAAMO Cc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000248097268 572253641 /nfs/dbraw/zinc/25/36/41/572253641.db2.gz IQLLZEXSVNXIAU-SANMLTNESA-N 1 1 542.127 5.607 50 0 KKAAMO Cc1ccccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3ccc(F)cc3)C2)CC1 ZINC000248100990 572253665 /nfs/dbraw/zinc/25/36/65/572253665.db2.gz JOUBMNNMQPSEBR-XMMPIXPASA-N 1 1 511.645 5.034 50 0 KKAAMO Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2c2ccccc2)cc1 ZINC000248111164 572253808 /nfs/dbraw/zinc/25/38/08/572253808.db2.gz NUXSDKUBJGTUSZ-YTMVLYRLSA-N 1 1 508.628 7.028 50 0 KKAAMO Cc1cccc(CCNC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)c1 ZINC000248117128 572253875 /nfs/dbraw/zinc/25/38/75/572253875.db2.gz STQYREDOSIQDJV-UHFFFAOYSA-N 1 1 531.498 5.667 50 0 KKAAMO COc1ccc(NC(=O)C2CC[NH+](Cc3nc4ccccc4n3-c3cccc(Br)c3)CC2)cc1 ZINC000248130888 572254559 /nfs/dbraw/zinc/25/45/59/572254559.db2.gz KCJSQWOAALCYBI-UHFFFAOYSA-N 1 1 519.443 5.647 50 0 KKAAMO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2-c2cccc(Br)c2)C1 ZINC000248144747 572255441 /nfs/dbraw/zinc/25/54/41/572255441.db2.gz HDLBPUWGPQQXGX-JOCHJYFZSA-N 1 1 517.471 5.625 50 0 KKAAMO C[C@@H](NC(=O)C1CC[NH+](Cc2nc3ccccc3n2-c2cccc(Br)c2)CC1)c1ccccc1 ZINC000248256351 572257246 /nfs/dbraw/zinc/25/72/46/572257246.db2.gz OKVIJBOUMNMYKT-HXUWFJFHSA-N 1 1 517.471 5.877 50 0 KKAAMO CCOc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]2C[C@H]3c4cc(OC)c(OC)cc4CC[N@H+]3C[C@H]2CC)cc1 ZINC000248378804 572258559 /nfs/dbraw/zinc/25/85/59/572258559.db2.gz KQLDASGMVSYSES-MVZBJVRXSA-N 1 1 628.810 6.895 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4ccc(F)cc4)C3)CC2)cc1 ZINC000251999723 572259638 /nfs/dbraw/zinc/25/96/38/572259638.db2.gz MAESCUSNYDMNOD-VWLOTQADSA-N 1 1 525.672 5.288 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000251984033 572259754 /nfs/dbraw/zinc/25/97/54/572259754.db2.gz GTNQFPSPBDTSOO-RUZDIDTESA-N 1 1 586.578 5.911 50 0 KKAAMO CCc1ccc(N2CCN(C(=O)C3CC[NH+](Cc4nc5ccccc5n4-c4cccc(Br)c4)CC3)CC2)cc1 ZINC000252013857 572259940 /nfs/dbraw/zinc/25/99/40/572259940.db2.gz UNUBFJIIDPHBMA-UHFFFAOYSA-N 1 1 586.578 5.911 50 0 KKAAMO CC(C)c1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3-c3cccc(Br)c3)C2)cc1 ZINC000252370326 572260260 /nfs/dbraw/zinc/26/02/60/572260260.db2.gz XNRXEFIYPDBAQT-JOCHJYFZSA-N 1 1 531.498 6.762 50 0 KKAAMO C[C@@H]1CCC[C@H](NC(=O)[C@@H]2N(CCC[NH+]3CCN(Cc4ccccc4)CC3)C(=O)[C@H]3[C@H](C(=O)Nc4cc(Cl)cc(Cl)c4)[C@H]4C=C[C@@]23O4)[C@H]1C ZINC000252585318 572264535 /nfs/dbraw/zinc/26/45/35/572264535.db2.gz HSEDMGOCZZYPGG-CJCKGJRFSA-N 1 1 708.731 5.231 50 0 KKAAMO CC[N@@H+](CCCN1C(=O)[C@H]2[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1)Cc1ccccc1 ZINC000252586872 572265742 /nfs/dbraw/zinc/26/57/42/572265742.db2.gz UDUNPWMGWDRQOU-NAFNOZOPSA-N 1 1 619.206 5.099 50 0 KKAAMO O[C@@H](CN1c2ccccc2[C@H](c2ccccc2)[C@@H]1c1ccccc1)CN1CC[NH+](C[C@H](O)CN2c3ccccc3[C@H](c3ccccc3)[C@@H]2c2ccccc2)CC1 ZINC000252601714 572267413 /nfs/dbraw/zinc/26/74/13/572267413.db2.gz FBTAFNUXVYMJFU-UMNRNQCTSA-N 1 1 740.992 8.113 50 0 KKAAMO O[C@H](CN1c2ccccc2[C@H](c2ccccc2)[C@@H]1c1ccccc1)CN1CC[NH+](C[C@@H](O)CN2c3ccccc3[C@H](c3ccccc3)[C@@H]2c2ccccc2)CC1 ZINC000252601714 572267414 /nfs/dbraw/zinc/26/74/14/572267414.db2.gz FBTAFNUXVYMJFU-UMNRNQCTSA-N 1 1 740.992 8.113 50 0 KKAAMO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@H+]4CC[C@@H](c5ccc(F)cc5)[C@@H](COc5ccc6c(c5)OCO6)C4)[C@H]3C=C12 ZINC000253387634 572282534 /nfs/dbraw/zinc/28/25/34/572282534.db2.gz JIVVYSVNBXXPDE-NVUWXOOISA-N 1 1 561.694 6.353 50 0 KKAAMO C[C@H]1CN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccc(F)c2)CCN1C(=O)Nc1cccc(Cl)c1Cl ZINC000253388959 572283117 /nfs/dbraw/zinc/28/31/17/572283117.db2.gz FWZPRJIMSLCVPB-XRHLQHRESA-N 1 1 575.537 6.296 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)[C@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000253607449 572300973 /nfs/dbraw/zinc/30/09/73/572300973.db2.gz TWZQKTINXIAUQY-NDEPHWFRSA-N 1 1 570.181 6.251 50 0 KKAAMO CCCc1ccc(N2CCN(C(=O)[C@@H]3CCC[N@@H+](Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000253607448 572300978 /nfs/dbraw/zinc/30/09/78/572300978.db2.gz TWZQKTINXIAUQY-MUUNZHRXSA-N 1 1 570.181 6.251 50 0 KKAAMO