smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCCC[N@@H+](Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730032 1069829054 /nfs/dbraw/zinc/82/90/54/1069829054.db2.gz RWHDVPZNMAAEMA-UQBPGWFLSA-N 0 1 503.083 5.134 50 10 KKCAMN COCCC[N@H+](Cc1c([O-])c(Cl)cc2c3c(c(=O)oc21)CCCC3)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730032 1069829081 /nfs/dbraw/zinc/82/90/81/1069829081.db2.gz RWHDVPZNMAAEMA-UQBPGWFLSA-N 0 1 503.083 5.134 50 10 KKCAMN COCCC[N@@H+](Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730077 1069829201 /nfs/dbraw/zinc/82/92/01/1069829201.db2.gz UWDWHQIBJYUYBQ-PWUYWRBVSA-N 0 1 553.143 6.154 50 10 KKCAMN COCCC[N@H+](Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730077 1069829228 /nfs/dbraw/zinc/82/92/28/1069829228.db2.gz UWDWHQIBJYUYBQ-PWUYWRBVSA-N 0 1 553.143 6.154 50 10 KKCAMN CCn1c(O)c(C=C/C=C2\CCCC(C=CC=C3C(=O)N(CC)C(=S)N(CC)C3=O)=C2c2ccccc2)c(=O)n(CC)c1=S ZINC000685944750 1070945677 /nfs/dbraw/zinc/94/56/77/1070945677.db2.gz UXWUMXURJZWAEL-ZPOAUVDRSA-N 0 1 630.836 6.180 50 10 KKCAMN COc1ccccc1NS(=O)(=O)c1cc(NC=C2C(=O)N(c3ccccc3)N=C2C)ccc1N1CCCCC1 ZINC000102918859 1071304892 /nfs/dbraw/zinc/30/48/92/1071304892.db2.gz YRXYBHVMBYONKT-HIXSDJFHSA-N 0 1 545.665 5.205 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000000640737 551506873 /nfs/dbraw/zinc/50/68/73/551506873.db2.gz DUZZPNOOIJVLBL-FYJGNVAPSA-N 0 1 507.384 5.197 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000000693760 551527750 /nfs/dbraw/zinc/52/77/50/551527750.db2.gz SZWLOQJSELMLAT-MHWRWJLKSA-N 0 1 519.829 5.678 50 10 KKCAMN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)NC2=S)cc1 ZINC000001406529 551661826 /nfs/dbraw/zinc/66/18/26/551661826.db2.gz PQALYMWHQMCGPR-HYARGMPZSA-N 0 1 524.440 5.927 50 10 KKCAMN C[N@@H+](Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21)C1CCCCC1 ZINC000001782076 551698555 /nfs/dbraw/zinc/69/85/55/551698555.db2.gz UYZWLMJWEHQULX-UHFFFAOYSA-N 0 1 526.349 6.837 50 10 biogenic KKCAMN CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)C(=O)NC2=S)cc1 ZINC000002064159 551744964 /nfs/dbraw/zinc/74/49/64/551744964.db2.gz YFEUDLMKXHAFNM-NLRVBDNBSA-N 0 1 529.662 5.445 50 10 KKCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCCCOc1ccc(Cl)cc1 ZINC000002180227 551784955 /nfs/dbraw/zinc/78/49/55/551784955.db2.gz NWWDJEKVEDJPJY-CJLVFECKSA-N 0 1 527.802 5.412 50 10 KKCAMN Cc1ccc(OCCCOc2ccc(Br)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000002180293 551785004 /nfs/dbraw/zinc/78/50/04/551785004.db2.gz BCMDOCDXSOVGHT-HAVVHWLPSA-N 0 1 507.384 5.067 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000002314654 552092240 /nfs/dbraw/zinc/09/22/40/552092240.db2.gz PRJBBEZMBJBDMA-JCMHNJIXSA-N 0 1 520.427 5.804 50 10 KKCAMN COc1cccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)c1 ZINC000002386091 552108017 /nfs/dbraw/zinc/10/80/17/552108017.db2.gz OSUVMBAUFKYWRF-HYARGMPZSA-N 0 1 504.011 5.583 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002605351 552135758 /nfs/dbraw/zinc/13/57/58/552135758.db2.gz RYXVAXMUXRVZPF-KGENOOAVSA-N 0 1 508.430 6.228 50 10 KKCAMN Cc1cc(C(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c(C)n1-c1ccc(Br)cc1 ZINC000002652512 552147136 /nfs/dbraw/zinc/14/71/36/552147136.db2.gz ZPKSNIMKBQPQEO-UHFFFAOYSA-N 0 1 546.288 6.379 50 10 KKCAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)n1 ZINC000003362758 552371906 /nfs/dbraw/zinc/37/19/06/552371906.db2.gz CGINMOOMNKFTSE-UHFFFAOYSA-N 0 1 511.003 5.287 50 10 KKCAMN CCOc1ccccc1C(=O)NN1C(=O)c2cc(I)ccc2N[C@@H]1c1cc(Br)cc(Br)c1O ZINC000008432042 553024898 /nfs/dbraw/zinc/02/48/98/553024898.db2.gz ATLRPJDZUNJZHI-NRFANRHFSA-N 0 1 687.126 5.832 50 10 KKCAMN Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o3)C(=O)NC2=S)cc1C ZINC000008444817 553052077 /nfs/dbraw/zinc/05/20/77/553052077.db2.gz CMXVSRJAZAITKK-BOPFTXTBSA-N 0 1 504.917 6.067 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000008451466 553061095 /nfs/dbraw/zinc/06/10/95/553061095.db2.gz BXKCGKNLGVHRBP-PCLIKHOPSA-N 0 1 615.180 6.771 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000008451422 553061108 /nfs/dbraw/zinc/06/11/08/553061108.db2.gz OTONYBXWKQVLLF-KOEQRZSOSA-N 0 1 615.180 6.771 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(C)cc1 ZINC000008984176 553196209 /nfs/dbraw/zinc/19/62/09/553196209.db2.gz LAIJTZOZCUFNSL-XQNSMLJCSA-N 0 1 506.986 5.356 50 10 KKCAMN CCOC(=O)c1oc2c(ccc([O-])c2C[N@H+]2CCCC[C@@H]2C)c(=O)c1-c1ccc(Br)cc1 ZINC000009075274 553207330 /nfs/dbraw/zinc/20/73/30/553207330.db2.gz AFRLFAAMHQLWRN-HNNXBMFYSA-N 0 1 500.389 5.479 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(Cl)cc1 ZINC000009169400 553215942 /nfs/dbraw/zinc/21/59/42/553215942.db2.gz DIXXQXURYHRFFL-KGENOOAVSA-N 0 1 510.930 5.292 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000009309381 553238310 /nfs/dbraw/zinc/23/83/10/553238310.db2.gz BWMFAHNYGOOFML-HYARGMPZSA-N 0 1 516.420 5.695 50 10 KKCAMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009466070 553269569 /nfs/dbraw/zinc/26/95/69/553269569.db2.gz SUSFWEQZQALULC-HZHRSRAPSA-N 0 1 521.564 5.490 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000020169032 553601714 /nfs/dbraw/zinc/60/17/14/553601714.db2.gz WWJHOQRFSSOSBN-IWIPYMOSSA-N 0 1 501.608 5.559 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000070672465 553602457 /nfs/dbraw/zinc/60/24/57/553602457.db2.gz MTWOILHVMYQEOR-CFNUTJGKSA-N 0 1 520.629 5.456 50 10 biogenic KKCAMN CCCOC(=O)c1ccc(Oc2c(=O)c3ccc([O-])c(CN4CC[NH+](CC)CC4)c3oc2C(F)(F)F)cc1 ZINC000019367815 553614215 /nfs/dbraw/zinc/61/42/15/553614215.db2.gz IBCGKHDASABYJC-UHFFFAOYSA-N 0 1 534.531 5.014 50 10 KKCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCC2)cc(OC)c1OC ZINC000085876515 553688944 /nfs/dbraw/zinc/68/89/44/553688944.db2.gz UYSYSBVKTQXYRQ-UHFFFAOYSA-N 0 1 505.527 5.233 50 10 biogenic KKCAMN CCCCCCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000097947715 553788313 /nfs/dbraw/zinc/78/83/13/553788313.db2.gz QQCGVVAXVKCAKE-PLRJNAJWSA-N 0 1 561.777 5.107 50 10 KKCAMN CCCCCCOc1ccc(OCCOc2c(Cl)cc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OCC)cc1 ZINC000097958603 553856200 /nfs/dbraw/zinc/85/62/00/553856200.db2.gz DQIFOYDXTVETDS-NHFJDJAPSA-N 0 1 579.093 6.617 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000097958972 553859361 /nfs/dbraw/zinc/85/93/61/553859361.db2.gz HPGWYDUJBRRTDY-ZXVVBBHZSA-N 0 1 561.078 6.706 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1Cl ZINC000097959053 553860002 /nfs/dbraw/zinc/86/00/02/553860002.db2.gz ZZIZBUWEPGEKKX-QGOAFFKASA-N 0 1 543.801 5.030 50 10 KKCAMN CCOc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(I)c1O ZINC000097960828 553873641 /nfs/dbraw/zinc/87/36/41/553873641.db2.gz CZDDGXYNHMPKCP-KPKJPENVSA-N 0 1 542.782 5.029 50 10 KKCAMN CCOc1c(I)cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000097960805 553873697 /nfs/dbraw/zinc/87/36/97/553873697.db2.gz QQFDZFACITWCRT-RIYZIHGNSA-N 0 1 542.782 5.024 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1N(Cc1ccc(Br)cc1)C(=O)c1ccccc1 ZINC000097961104 553875386 /nfs/dbraw/zinc/87/53/86/553875386.db2.gz AIPFOXKTCCLCPB-VEILYXNESA-N 0 1 641.591 7.134 50 10 KKCAMN CC(C)c1ccc(COc2ccccc2[C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000097972040 553965425 /nfs/dbraw/zinc/96/54/25/553965425.db2.gz IOTXKPBEVUCBFN-HSZRJFAPSA-N 0 1 564.590 6.720 50 10 biogenic KKCAMN COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000097972090 553966071 /nfs/dbraw/zinc/96/60/71/553966071.db2.gz VRLHVIVWHPGRFY-QFIPXVFZSA-N 0 1 596.588 5.657 50 10 biogenic KKCAMN CC1=NN(c2ccc(C)cc2)C(=O)C1=CNc1ccc(Cl)c(NC=C2C(=O)N(c3ccc(C)cc3)N=C2C)c1 ZINC000100041020 554192174 /nfs/dbraw/zinc/19/21/74/554192174.db2.gz HEUUMPOEQBYKBJ-XPKSCPAASA-N 0 1 539.039 6.394 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000100072364 554202235 /nfs/dbraw/zinc/20/22/35/554202235.db2.gz IXMSZXRRGFEZEO-OQLLNIDSSA-N 0 1 539.271 6.539 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000100115327 554223208 /nfs/dbraw/zinc/22/32/08/554223208.db2.gz BXKCGKNLGVHRBP-XYGWBWBKSA-N 0 1 615.180 6.771 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000100230410 554256251 /nfs/dbraw/zinc/25/62/51/554256251.db2.gz BTALHQVXAJSDKD-JAIQZWGSSA-N 0 1 616.331 6.021 50 10 KKCAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000100313080 554301856 /nfs/dbraw/zinc/30/18/56/554301856.db2.gz LVDXAIACBKRWAB-NDENLUEZSA-N 0 1 541.398 5.007 50 10 KKCAMN COC(=O)c1ccc([C@H]2N=C(c3ccc(OC)cc3)C[C@@H](c3cc(Br)cc(Br)c3O)N2)cc1 ZINC000053364130 554346646 /nfs/dbraw/zinc/34/66/46/554346646.db2.gz IDMLNEFDSBHAFS-UPVQGACJSA-N 0 1 574.269 5.935 50 10 KKCAMN Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1c(Br)cc(Br)cc1Br ZINC000100370453 554356175 /nfs/dbraw/zinc/35/61/75/554356175.db2.gz SORNSTKZKQJTIW-UKTHLTGXSA-N 0 1 530.083 6.493 50 10 KKCAMN O=C(Nc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 ZINC000100981728 554547676 /nfs/dbraw/zinc/54/76/76/554547676.db2.gz HOHFRKVAYDBTKO-UHFFFAOYSA-N 0 1 534.952 5.308 50 10 KKCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1ccc(Cl)cc1 ZINC000101396570 554758104 /nfs/dbraw/zinc/75/81/04/554758104.db2.gz XXFYDSCLFGOEFZ-STZFKDTASA-N 0 1 557.828 5.420 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000101738411 554833967 /nfs/dbraw/zinc/83/39/67/554833967.db2.gz FZEOQGMHLAZRRK-PDGQHHTCSA-N 0 1 520.330 5.090 50 10 KKCAMN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000102087552 554876764 /nfs/dbraw/zinc/87/67/64/554876764.db2.gz UHDKTRRTXGCXTQ-MGNBDDOMSA-N 0 1 528.310 6.949 50 10 KKCAMN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000102087566 554876770 /nfs/dbraw/zinc/87/67/70/554876770.db2.gz UHDKTRRTXGCXTQ-XTZNXHDOSA-N 0 1 528.310 6.949 50 10 KKCAMN CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1 ZINC000103450610 555420646 /nfs/dbraw/zinc/42/06/46/555420646.db2.gz HSTQKXWTCORRTE-SSEXGKCCSA-N 0 1 511.641 7.778 50 10 KKCAMN CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000103450600 555420700 /nfs/dbraw/zinc/42/07/00/555420700.db2.gz UYYRIQFOTLTJOH-JGCGQSQUSA-N 0 1 507.678 7.568 50 10 KKCAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000103524711 555427873 /nfs/dbraw/zinc/42/78/73/555427873.db2.gz AQRVVDAYHJDXDL-LSBIRFPWSA-N 0 1 536.628 5.292 50 10 KKCAMN Cc1[nH]n(-c2cccc3ccccc32)c(=O)c1C=C1C(=O)N(c2ccc(I)cc2)N=C1C ZINC000109684806 571429838 /nfs/dbraw/zinc/42/98/38/571429838.db2.gz OUOCNGXEDNYHTL-KGENOOAVSA-N 0 1 534.357 5.450 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000150343952 571459206 /nfs/dbraw/zinc/45/92/06/571459206.db2.gz XWXGNIOSLRIAQC-UQQQWYQISA-N 0 1 659.631 6.881 50 10 KKCAMN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1C ZINC000150360044 571463717 /nfs/dbraw/zinc/46/37/17/571463717.db2.gz TXNVCDCWNZCCCX-COEJQBHMSA-N 0 1 632.583 8.022 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000150367093 571464964 /nfs/dbraw/zinc/46/49/64/571464964.db2.gz MQSXPJKIWXQOAQ-TURZUDJPSA-N 0 1 638.974 8.059 50 10 KKCAMN CC(C)c1ccc2c(c1)[C@H](N1CCN(CCO[C@H]3Cc4ccc(F)cc4Sc4ccc(C(C)C)cc43)CC1)Cc1ccc(F)cc1S2 ZINC000153632923 571529408 /nfs/dbraw/zinc/52/94/08/571529408.db2.gz RTLRVSHZJUJWRW-XDSPJLLDSA-N 0 1 670.935 10.043 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000248236074 572256754 /nfs/dbraw/zinc/25/67/54/572256754.db2.gz CGJABXVVKWJQAL-GHFJTSGJSA-N 0 1 562.710 6.482 50 10 KKCAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248231803 572256774 /nfs/dbraw/zinc/25/67/74/572256774.db2.gz AQRVVDAYHJDXDL-ZQOCDUSVSA-N 0 1 536.628 5.292 50 10 KKCAMN CCCCCCc1c(C)c2ccc([O-])c(C[N@H+](CCCOC)C[C@@H]3CCCN4CCCC[C@H]34)c2oc1=O ZINC000524730290 1069831785 /nfs/dbraw/zinc/83/17/85/1069831785.db2.gz DIOSKTGANLGYOC-RBJSKKJNSA-N 0 1 512.735 6.033 50 10 KKCAMN CCCCCCc1c(C)c2ccc([O-])c(C[N@@H+](CCCOC)C[C@@H]3CCCN4CCCC[C@H]34)c2oc1=O ZINC000524730290 1069831811 /nfs/dbraw/zinc/83/18/11/1069831811.db2.gz DIOSKTGANLGYOC-RBJSKKJNSA-N 0 1 512.735 6.033 50 10 KKCAMN COCCC[N@@H+](Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524731895 1069835300 /nfs/dbraw/zinc/83/53/00/1069835300.db2.gz OEFBWSHUYGXPCS-RBJSKKJNSA-N 0 1 504.671 5.577 50 10 KKCAMN COCCC[N@H+](Cc1cc2c(-c3ccccc3)cc(=O)oc2c(C)c1[O-])C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524731895 1069835317 /nfs/dbraw/zinc/83/53/17/1069835317.db2.gz OEFBWSHUYGXPCS-RBJSKKJNSA-N 0 1 504.671 5.577 50 10 KKCAMN COc1ccc(O)c(CN2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@@H]3CCOC3)C2)c1 ZINC000064045043 1071266958 /nfs/dbraw/zinc/26/69/58/1071266958.db2.gz LONMATFBQYRVEY-HSZRJFAPSA-N 0 1 503.620 5.845 50 10 KKCAMN COC(=O)Cc1c(-c2ccc(OC)c(OC)c2)oc2c1c1oc(-c3ccccc3)cc(O)c-1c(=O)c2O ZINC000604404924 1071271298 /nfs/dbraw/zinc/27/12/98/1071271298.db2.gz MAJSXAYRVKKFJI-UHFFFAOYSA-N 0 1 502.475 5.017 50 10 KKCAMN CC(=O)Oc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2C)cc1 ZINC000000843383 551547776 /nfs/dbraw/zinc/54/77/76/551547776.db2.gz MGMMNNNMKCFBIH-LPYMAVHISA-N 0 1 538.423 5.454 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2CCCC(C)(C)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000001791629 551701749 /nfs/dbraw/zinc/70/17/49/551701749.db2.gz DVDWQAYAVIFKGO-UHFFFAOYSA-N 0 1 520.651 6.136 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000002185086 551786092 /nfs/dbraw/zinc/78/60/92/551786092.db2.gz KHOKGJRTPOZMMD-UDWIEESQSA-N 0 1 585.907 6.220 50 10 KKCAMN CC[C@H](C)c1ccccc1OCCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000002594560 552134022 /nfs/dbraw/zinc/13/40/22/552134022.db2.gz XNTSPDSEYLAPTF-HUBZVCNYSA-N 0 1 525.605 6.719 50 10 KKCAMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 ZINC000003325766 552357068 /nfs/dbraw/zinc/35/70/68/552357068.db2.gz FOBAHPKXDNBHKQ-UHFFFAOYSA-N 0 1 561.479 5.603 50 10 KKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21 ZINC000003958520 552423942 /nfs/dbraw/zinc/42/39/42/552423942.db2.gz BOUQARGBDDYTSO-CQSZACIVSA-N 0 1 526.349 6.837 50 10 KKCAMN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(C(=O)OC(C)C)C(=O)C(F)(F)F)c(O)c3ccccc23)c(C)c1 ZINC000006088819 552530674 /nfs/dbraw/zinc/53/06/74/552530674.db2.gz LATCUVNGESRTJD-NRFANRHFSA-N 0 1 537.556 5.438 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000006474205 552592435 /nfs/dbraw/zinc/59/24/35/552592435.db2.gz MLWMTRKVPGADCV-TURZUDJPSA-N 0 1 605.075 7.204 50 10 KKCAMN COc1cccc(N2C(=O)c3cc(I)ccc3N[C@@H]2c2cc(Br)cc(Br)c2O)c1 ZINC000008432140 553025137 /nfs/dbraw/zinc/02/51/37/553025137.db2.gz PYPPZVAVXWEELW-FQEVSTJZSA-N 0 1 630.074 6.302 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000008451295 553060533 /nfs/dbraw/zinc/06/05/33/553060533.db2.gz OXAHTJDRXGEGIB-OFWBYEQRSA-N 0 1 676.592 7.582 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(Cl)cc1 ZINC000008453148 553065717 /nfs/dbraw/zinc/06/57/17/553065717.db2.gz GQYGLEFYNHEVGA-KGENOOAVSA-N 0 1 513.377 5.311 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 ZINC000008495300 553077067 /nfs/dbraw/zinc/07/70/67/553077067.db2.gz XOWUEBSVXRGUSF-DEDYPNTBSA-N 0 1 513.377 5.230 50 10 KKCAMN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000008695549 553121942 /nfs/dbraw/zinc/12/19/42/553121942.db2.gz UXFNPHWWIIKRHY-BRPDVVIDSA-N 0 1 618.556 7.714 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=O)N(C)C3=O)c2-c2ccccc2)cc1 ZINC000009015844 553200590 /nfs/dbraw/zinc/20/05/90/553200590.db2.gz YRPAHHYUNNNCNV-XIEYBQDHSA-N 0 1 519.557 5.920 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2CCCC[C@@H]2C)c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000009075551 553207336 /nfs/dbraw/zinc/20/73/36/553207336.db2.gz VESOEZFVHBRFHI-KRWDZBQOSA-N 0 1 507.583 5.050 50 10 KKCAMN CCCCc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1 ZINC000009295820 553235686 /nfs/dbraw/zinc/23/56/86/553235686.db2.gz IZNJJHVNCHMXMM-ZHZULCJRSA-N 0 1 509.971 5.682 50 10 KKCAMN CCCCc1ccc(N2C(=O)/C(=C\c3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000009311133 553239282 /nfs/dbraw/zinc/23/92/82/553239282.db2.gz BEUAGTGCMQRGHL-IMRQLAEWSA-N 0 1 507.659 6.172 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1cc(C)cc(C)c1 ZINC000009510887 553276238 /nfs/dbraw/zinc/27/62/38/553276238.db2.gz PIDZYLHZHCBNSN-HAHDFKILSA-N 0 1 506.986 5.275 50 10 KKCAMN CCCN1CCN(c2cc(Nc3cc(OC)c(OC)c(OC)c3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009780059 553307448 /nfs/dbraw/zinc/30/74/48/553307448.db2.gz MHRBVCIWHVSNOW-UHFFFAOYSA-N 0 1 528.609 5.341 50 10 KKCAMN COc1ccc(-c2coc3c(C[N@H+]4CCC[C@@H](C)C4)c([O-])c(C[NH+]4CCC[C@@H](C)C4)c([O-])c3c2=O)cc1 ZINC000011867941 553348019 /nfs/dbraw/zinc/34/80/19/553348019.db2.gz IYQRVYVIOCGQIP-WOJBJXKFSA-N 0 1 506.643 5.344 50 10 biogenic KKCAMN COc1ccc(-c2coc3c(C[NH+]4CCC[C@@H](C)C4)c([O-])c(C[N@@H+]4CCC[C@@H](C)C4)c([O-])c3c2=O)cc1 ZINC000011867941 553348022 /nfs/dbraw/zinc/34/80/22/553348022.db2.gz IYQRVYVIOCGQIP-WOJBJXKFSA-N 0 1 506.643 5.344 50 10 biogenic KKCAMN COc1ccc(-c2coc3c(C[NH+]4CCC[C@@H](C)C4)c([O-])c(C[N@H+]4CCC[C@@H](C)C4)c([O-])c3c2=O)cc1 ZINC000011867941 553348025 /nfs/dbraw/zinc/34/80/25/553348025.db2.gz IYQRVYVIOCGQIP-WOJBJXKFSA-N 0 1 506.643 5.344 50 10 biogenic KKCAMN CC(C)(C)c1ccc(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000013685221 553485075 /nfs/dbraw/zinc/48/50/75/553485075.db2.gz JDRVQFKMXKBPBT-UQQQWYQISA-N 0 1 511.578 6.113 50 10 KKCAMN CCOC(=O)c1cccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1 ZINC000013800138 553491264 /nfs/dbraw/zinc/49/12/64/553491264.db2.gz XNMNJPDVUQJYSG-HAHDFKILSA-N 0 1 501.608 5.559 50 10 KKCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000017161391 553589614 /nfs/dbraw/zinc/58/96/14/553589614.db2.gz IUNSBADLPSNJHA-STZFKDTASA-N 0 1 519.554 5.043 50 10 KKCAMN O=C1/C(=C\c2cccnc2)c2ccc(Cl)cc2N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000020624996 553681005 /nfs/dbraw/zinc/68/10/05/553681005.db2.gz PTFIYOXMEURNAG-BRPDVVIDSA-N 0 1 521.064 5.987 50 10 KKCAMN Cc1cc(C)n(CCOc2ccc(-c3c4oc5c(ccc(O)c5O)c4nc4c3c(=O)[nH]n4C(C)C)cc2)n1 ZINC000095479183 553701874 /nfs/dbraw/zinc/70/18/74/553701874.db2.gz AVIMPCSPUMSILA-UHFFFAOYSA-N 0 1 513.554 5.588 50 10 KKCAMN O=C1/C(=C/c2cccnc2)c2ccc(Cl)cc2N1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000096246540 553731601 /nfs/dbraw/zinc/73/16/01/553731601.db2.gz PTFIYOXMEURNAG-ZTKZIYFRSA-N 0 1 521.064 5.987 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000023382858 553774844 /nfs/dbraw/zinc/77/48/44/553774844.db2.gz LJQJLNWYBXCGGV-BKUYFWCQSA-N 0 1 518.367 6.105 50 10 KKCAMN CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(C=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1C ZINC000097960810 553873704 /nfs/dbraw/zinc/87/37/04/553873704.db2.gz VVKOCEUFACTXBF-ZDLGFXPLSA-N 0 1 560.072 6.413 50 10 KKCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000097960901 553873977 /nfs/dbraw/zinc/87/39/77/553873977.db2.gz FOIHOJCYOOAUFD-USHMODERSA-N 0 1 560.078 8.136 50 10 KKCAMN CCOc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)c2-c2ccccc2)cc1 ZINC000097960879 553874101 /nfs/dbraw/zinc/87/41/01/553874101.db2.gz FRENWKYTJSVDPU-JBASAIQMSA-N 0 1 569.686 7.882 50 10 KKCAMN Cc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000097960998 553874736 /nfs/dbraw/zinc/87/47/36/553874736.db2.gz YTUKPCDESXVQNN-UDWIEESQSA-N 0 1 525.399 6.147 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000097962644 553884898 /nfs/dbraw/zinc/88/48/98/553884898.db2.gz AIVIGBCSCRAKQO-QGMBQPNBSA-N 0 1 732.221 7.928 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2C)cc1 ZINC000033333377 553921592 /nfs/dbraw/zinc/92/15/92/553921592.db2.gz HWZTUZCZPNJXID-XKZIYDEJSA-N 0 1 507.999 5.596 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000097968488 553932875 /nfs/dbraw/zinc/93/28/75/553932875.db2.gz PUMBLMICIWMNGQ-ZHZULCJRSA-N 0 1 526.489 7.370 50 10 KKCAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OCCc1ccc2c(c1)CCO2 ZINC000097971946 553964205 /nfs/dbraw/zinc/96/42/05/553964205.db2.gz ABESYBAHLMTJFN-JOCHJYFZSA-N 0 1 608.599 5.583 50 10 biogenic KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(C)cc1 ZINC000100230526 554256458 /nfs/dbraw/zinc/25/64/58/554256458.db2.gz XXWLAUPWKHDWFM-JCMHNJIXSA-N 0 1 537.410 5.075 50 10 KKCAMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000100535669 554412325 /nfs/dbraw/zinc/41/23/25/554412325.db2.gz RQKOFQGKWZQEEE-UHFFFAOYSA-N 0 1 514.994 5.288 50 10 KKCAMN Cc1[nH]n(-c2cccc3ccccc32)c(=O)c1C=C1C(=O)N(c2ccc(I)cc2)N=C1C ZINC000101123786 554644038 /nfs/dbraw/zinc/64/40/38/554644038.db2.gz OUOCNGXEDNYHTL-STZFKDTASA-N 0 1 534.357 5.450 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(/C=C4/Sc5ccccc5N(Cc5ccccc5F)C4=O)cc3)CC2)cc1 ZINC000101640422 554814273 /nfs/dbraw/zinc/81/42/73/554814273.db2.gz MBMIKTIWDPXFJS-KVQDIILNSA-N 0 1 636.793 6.456 50 10 KKCAMN CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 ZINC000102649623 554995138 /nfs/dbraw/zinc/99/51/38/554995138.db2.gz APXQXWRWOGSMIA-HKBQPEDESA-N 0 1 523.677 7.648 50 10 KKCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCCCOc1ccc(Cl)cc1 ZINC000103680144 555462269 /nfs/dbraw/zinc/46/22/69/555462269.db2.gz FNMLPTIFXXYCJT-STZFKDTASA-N 0 1 604.828 5.263 50 10 KKCAMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000103846767 571363440 /nfs/dbraw/zinc/36/34/40/571363440.db2.gz CYIUNZFJSLXHGM-UCQKPKSFSA-N 0 1 565.022 5.387 50 10 KKCAMN COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000108448361 571424236 /nfs/dbraw/zinc/42/42/36/571424236.db2.gz STZBCCKTMKALQZ-QFIPXVFZSA-N 0 1 566.562 5.648 50 10 biogenic KKCAMN COC(=O)C[C@@H](c1ccc(OCCc2ccc(OC)cc2)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108449768 571424889 /nfs/dbraw/zinc/42/48/89/571424889.db2.gz LGBNHYANENALML-VWLOTQADSA-N 0 1 582.605 5.902 50 10 biogenic KKCAMN COc1cc(NC(=O)C(=NNc2ccc(-c3ccc(N=N[C@H](C(C)=O)C(=O)Nc4ccc(C)cc4C)c(Cl)c3)cc2Cl)C(C)=O)c(OC)cc1Cl ZINC000150348889 571461303 /nfs/dbraw/zinc/46/13/03/571461303.db2.gz CTCGHGAGCLXAHB-BESOKIOGSA-N 0 1 752.055 9.308 50 10 KKCAMN COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000248135005 572254857 /nfs/dbraw/zinc/25/48/57/572254857.db2.gz MOOUIGFQQBJAOV-QHCPKHFHSA-N 0 1 588.550 5.357 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12c1ccccc1NC2=O ZINC000248236079 572256738 /nfs/dbraw/zinc/25/67/38/572256738.db2.gz CGJABXVVKWJQAL-MSMWPWNWSA-N 0 1 562.710 6.482 50 10 KKCAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000248271050 572257648 /nfs/dbraw/zinc/25/76/48/572257648.db2.gz QDRHTFDQEJVLLQ-MHFPBVHJSA-N 0 1 576.737 7.016 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000248293497 572257874 /nfs/dbraw/zinc/25/78/74/572257874.db2.gz VJWPAUHYKSNSLW-UUZIFAJNSA-N 0 1 550.611 5.012 50 10 KKCAMN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(Cc3ccncc3)[C@H](c3ccccc3)CC(=O)NCC2)cc1 ZINC000257178578 1070973989 /nfs/dbraw/zinc/97/39/89/1070973989.db2.gz BXBYLPLPJOCJAZ-HKBQPEDESA-N 0 1 535.692 5.085 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)nc3n(c4=O)CC/C3=C/c3ccc(OC)c(OCc4ccccc4)c3)CC2)cc1 ZINC000159022458 1071185654 /nfs/dbraw/zinc/18/56/54/1071185654.db2.gz DDFRXZUFXWMXBH-GDWJVWIDSA-N 0 1 685.825 5.879 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000000659978 551515709 /nfs/dbraw/zinc/51/57/09/551515709.db2.gz FZEOQGMHLAZRRK-LDADJPATSA-N 0 1 520.330 5.090 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001066817 551602107 /nfs/dbraw/zinc/60/21/07/551602107.db2.gz PPGPTPKZHWJVIE-VCHYOVAHSA-N 0 1 504.826 5.886 50 10 KKCAMN CCOC(=O)c1oc2c(ccc([O-])c2C[N@H+]2CCCC[C@H]2C)c(=O)c1-c1ccc(Br)cc1 ZINC000001463724 551679707 /nfs/dbraw/zinc/67/97/07/551679707.db2.gz AFRLFAAMHQLWRN-OAHLLOKOSA-N 0 1 500.389 5.479 50 10 KKCAMN CCCC[N@@H+](C)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21 ZINC000001782074 551698509 /nfs/dbraw/zinc/69/85/09/551698509.db2.gz HDTYQMOLGCEFAX-UHFFFAOYSA-N 0 1 500.311 6.304 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000002056189 551739914 /nfs/dbraw/zinc/73/99/14/551739914.db2.gz LKSWHRMNHPFLMK-DEDYPNTBSA-N 0 1 541.414 5.679 50 10 KKCAMN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000002062242 551743419 /nfs/dbraw/zinc/74/34/19/551743419.db2.gz UPYGXEQPDWITFU-HUTHGQBESA-N 0 1 514.283 5.984 50 10 KKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000002076385 551750215 /nfs/dbraw/zinc/75/02/15/551750215.db2.gz CMUBDKNVLOHGSH-HZHRSRAPSA-N 0 1 556.474 6.981 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000002173518 551782537 /nfs/dbraw/zinc/78/25/37/551782537.db2.gz HOEBZSQYBQWWBW-NLRVBDNBSA-N 0 1 594.762 6.426 50 10 KKCAMN CCCCc1ccc(N2C(=O)C(=Cc3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1 ZINC000002332580 552096266 /nfs/dbraw/zinc/09/62/66/552096266.db2.gz IZNJJHVNCHMXMM-XSFVSMFZSA-N 0 1 509.971 6.522 50 10 KKCAMN CC[C@@H](C)c1ccccc1OCCCn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000002594558 552133993 /nfs/dbraw/zinc/13/39/93/552133993.db2.gz XNTSPDSEYLAPTF-OIHNEICTSA-N 0 1 525.605 6.719 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000002915265 552216561 /nfs/dbraw/zinc/21/65/61/552216561.db2.gz CTWJWOWEDWEFDW-BUVRLJJBSA-N 0 1 546.479 6.899 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000002916448 552217197 /nfs/dbraw/zinc/21/71/97/552217197.db2.gz JRHSXNTVVDLAFY-VCHYOVAHSA-N 0 1 504.826 5.886 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000002920939 552220002 /nfs/dbraw/zinc/22/00/02/552220002.db2.gz ISLPVCYMSBKALC-RGVLZGJSSA-N 0 1 575.859 5.492 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000004048215 552431698 /nfs/dbraw/zinc/43/16/98/552431698.db2.gz MMAFMRAYDBRNAC-CVKSISIWSA-N 0 1 589.098 7.479 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000006474208 552592409 /nfs/dbraw/zinc/59/24/09/552592409.db2.gz UHUWJUKAHLACFR-VFCFBJKWSA-N 0 1 570.630 6.551 50 10 KKCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000006474206 552592414 /nfs/dbraw/zinc/59/24/14/552592414.db2.gz RMQOXISIEYNPNH-MTDXEUNCSA-N 0 1 605.075 7.204 50 10 KKCAMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000008451413 553061012 /nfs/dbraw/zinc/06/10/12/553061012.db2.gz BKFKXYVRKWWHDE-ZXVVBBHZSA-N 0 1 608.789 6.680 50 10 KKCAMN Cc1ccc(S(=O)(=O)Nc2cc(C(C(=O)OC(C)C)C(=O)C(F)(F)F)c(O)c3ccccc23)c(C)c1 ZINC000008683915 553112870 /nfs/dbraw/zinc/11/28/70/553112870.db2.gz PCUXRYBEDDOJPT-OAQYLSRUSA-N 0 1 523.529 5.130 50 10 KKCAMN O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000008741261 553132885 /nfs/dbraw/zinc/13/28/85/553132885.db2.gz ZGMITPPXFDGEQL-LPYMAVHISA-N 0 1 514.994 5.605 50 10 KKCAMN CC[C@H](C)c1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000008997518 553197746 /nfs/dbraw/zinc/19/77/46/553197746.db2.gz FPUMANRDASMRCJ-CHZJBYNNSA-N 0 1 525.605 6.719 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@@H+]2[C@H](C)CCC[C@@H]2C)c(=O)c1-c1nc2ccccc2s1 ZINC000009216548 553221666 /nfs/dbraw/zinc/22/16/66/553221666.db2.gz MEBZJBARKPZHQO-CALCHBBNSA-N 0 1 520.651 6.277 50 10 KKCAMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)o1 ZINC000013550193 553470221 /nfs/dbraw/zinc/47/02/21/553470221.db2.gz DXPKMIWXNOJVQM-WOJGMQOQSA-N 0 1 512.341 5.168 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2C)cc1 ZINC000013801479 553491395 /nfs/dbraw/zinc/49/13/95/553491395.db2.gz GSDPGHSRCUUZLM-BUVRLJJBSA-N 0 1 501.608 5.559 50 10 KKCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc(O)c1O ZINC000085876354 553689077 /nfs/dbraw/zinc/68/90/77/553689077.db2.gz WHKMIBULOKSCRT-UHFFFAOYSA-N 0 1 505.527 5.407 50 10 biogenic KKCAMN C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21 ZINC000095670565 553707054 /nfs/dbraw/zinc/70/70/54/553707054.db2.gz GALWGXXDZJDEHQ-UHFFFAOYSA-N 0 1 534.328 6.704 50 10 KKCAMN COC(=O)C[C@@H](c1ccc(OC)c2ccccc21)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222711 553731283 /nfs/dbraw/zinc/73/12/83/553731283.db2.gz PMCORULCYIDXNX-FQEVSTJZSA-N 0 1 512.514 5.434 50 10 biogenic KKCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc(OCc2ccc(Br)cc2Br)cc1 ZINC000097960846 553873700 /nfs/dbraw/zinc/87/37/00/553873700.db2.gz SLIXSGYJSQNDSW-JMIUGGIZSA-N 0 1 606.723 7.116 50 10 KKCAMN CCc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000097960946 553874385 /nfs/dbraw/zinc/87/43/85/553874385.db2.gz BKFKXYVRKWWHDE-DIBXZPPDSA-N 0 1 608.789 7.521 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000033349829 553922545 /nfs/dbraw/zinc/92/25/45/553922545.db2.gz CCJRIAWOLNZIEB-ZDLGFXPLSA-N 0 1 517.796 6.086 50 10 KKCAMN CCOC(=O)c1c(N=Cc2c(C)[nH]n(-c3ccc(C)cc3)c2=O)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000033358642 553957390 /nfs/dbraw/zinc/95/73/90/553957390.db2.gz QOGKIEJWCRIQJN-YZSQISJMSA-N 0 1 539.657 7.089 50 10 KKCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@@H](c1ccccc1OCCc1ccccc1)CC(=O)O2 ZINC000097971868 553963697 /nfs/dbraw/zinc/96/36/97/553963697.db2.gz LIWGSLKTKCARAY-OAQYLSRUSA-N 0 1 536.536 5.639 50 10 biogenic KKCAMN COc1ccc2c(c1)cc([C@@H]1CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c31)c(=O)n2CC(C)C ZINC000097971909 553963960 /nfs/dbraw/zinc/96/39/60/553963960.db2.gz NNRGYWHBOHVITB-FQEVSTJZSA-N 0 1 553.567 5.292 50 10 biogenic KKCAMN CC(C)c1ccc(COc2ccccc2[C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000097972039 553965330 /nfs/dbraw/zinc/96/53/30/553965330.db2.gz IOTXKPBEVUCBFN-QHCPKHFHSA-N 0 1 564.590 6.720 50 10 biogenic KKCAMN Cc1cccc(OCCCOc2ccc(Br)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000035190578 554041358 /nfs/dbraw/zinc/04/13/58/554041358.db2.gz YCBYLNCJPHEMRK-QJOMJCCJSA-N 0 1 507.384 5.067 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000100193606 554245489 /nfs/dbraw/zinc/24/54/89/554245489.db2.gz MLWMTRKVPGADCV-USHMODERSA-N 0 1 605.075 7.204 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000100261514 554265575 /nfs/dbraw/zinc/26/55/75/554265575.db2.gz PFFKEDACZSGSNT-XNTDXEJSSA-N 0 1 511.308 6.104 50 10 KKCAMN COC(=O)c1ccc([C@@H]2N=C(c3ccc(OC)cc3)C[C@@H](c3cc(Br)cc(Br)c3O)N2)cc1 ZINC000053364124 554346660 /nfs/dbraw/zinc/34/66/60/554346660.db2.gz IDMLNEFDSBHAFS-LADGPHEKSA-N 0 1 574.269 5.935 50 10 KKCAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000100574922 554422764 /nfs/dbraw/zinc/42/27/64/554422764.db2.gz FCHGSGIRSJAGBI-XZOQPEGZSA-N 0 1 563.268 6.427 50 10 KKCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1c(Br)cc(Br)cc1Br ZINC000100720411 554455119 /nfs/dbraw/zinc/45/51/19/554455119.db2.gz TUDPIVGPTMRYTC-LCYFTJDESA-N 0 1 514.015 5.693 50 10 KKCAMN CC(Nc1cccc(F)c1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000100748159 554465604 /nfs/dbraw/zinc/46/56/04/554465604.db2.gz SVUKEERJRXPADT-HAHDFKILSA-N 0 1 509.031 6.970 50 10 KKCAMN CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100884290 554508029 /nfs/dbraw/zinc/50/80/29/554508029.db2.gz DHQHBKRQCVCDHT-XCQFTPQJSA-N 0 1 575.804 5.434 50 10 KKCAMN Cn1cc(/C=C2/c3ccc(Cl)cc3N(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C2=O)c2ccccc21 ZINC000101478848 554782844 /nfs/dbraw/zinc/78/28/44/554782844.db2.gz QDZMGQOHQAILGT-JDCMOKTRSA-N 0 1 573.140 7.084 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C/c4ccc(Cl)cc4)Sc4ccccc43)CC2)cc1 ZINC000101688655 554830254 /nfs/dbraw/zinc/83/02/54/554830254.db2.gz XIMWVBOEDWICNY-ANYBSYGZSA-N 0 1 577.150 5.157 50 10 KKCAMN CCC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000102087555 554876784 /nfs/dbraw/zinc/87/67/84/554876784.db2.gz UHDKTRRTXGCXTQ-YPMLDQLKSA-N 0 1 528.310 6.949 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C/c4cccc(Cl)c4)Sc4ccccc43)CC2)cc1 ZINC000102765595 555054738 /nfs/dbraw/zinc/05/47/38/555054738.db2.gz GQWYTYKEEPEOOX-ANYBSYGZSA-N 0 1 577.150 5.157 50 10 KKCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000103680150 555462326 /nfs/dbraw/zinc/46/23/26/555462326.db2.gz ROHGDMWVSOBMDE-PDGQHHTCSA-N 0 1 518.194 5.796 50 10 KKCAMN COC(=O)C[C@@H](c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448598 571424417 /nfs/dbraw/zinc/42/44/17/571424417.db2.gz QERXKFBGWYSRRI-VWLOTQADSA-N 0 1 625.630 5.818 50 10 biogenic KKCAMN COC(=O)C[C@@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108449939 571425017 /nfs/dbraw/zinc/42/50/17/571425017.db2.gz OPLHFYPOJLOROJ-DEOSSOPVSA-N 0 1 594.616 5.828 50 10 biogenic KKCAMN CCOc1ccc(N2C(=O)/C(=C/c3cc(I)c(OCc4cccc([N+](=O)[O-])c4)c(I)c3)C(=O)NC2=S)cc1 ZINC000150344175 571459162 /nfs/dbraw/zinc/45/91/62/571459162.db2.gz YWNMSDZYNRPUBK-RGVLZGJSSA-N 0 1 755.328 5.613 50 10 KKCAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000230025840 572179680 /nfs/dbraw/zinc/17/96/80/572179680.db2.gz LGZVEMJNEFQJAH-HICIQRJKSA-N 0 1 548.683 6.236 50 10 KKCAMN COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000248137403 572255058 /nfs/dbraw/zinc/25/50/58/572255058.db2.gz NTUINQMCJJQGSP-VWLOTQADSA-N 0 1 558.126 5.307 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000248236523 572256723 /nfs/dbraw/zinc/25/67/23/572256723.db2.gz CGJABXVVKWJQAL-NRPAOZQWSA-N 0 1 562.710 6.482 50 10 KKCAMN COCCC[N@@H+](Cc1c(C)cc2oc(=O)c(Cc3ccccc3)c(C)c2c1[O-])C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729713 1069826571 /nfs/dbraw/zinc/82/65/71/1069826571.db2.gz GDNFDQQCYDNJBY-LITSAYRRSA-N 0 1 532.725 5.809 50 10 KKCAMN COCCC[N@H+](Cc1c(C)cc2oc(=O)c(Cc3ccccc3)c(C)c2c1[O-])C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729713 1069826598 /nfs/dbraw/zinc/82/65/98/1069826598.db2.gz GDNFDQQCYDNJBY-LITSAYRRSA-N 0 1 532.725 5.809 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000000640701 193862062 /nfs/dbraw/zinc/86/20/62/193862062.db2.gz IVVJOQPLOBWBGA-UDWIEESQSA-N 0 1 527.802 5.542 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1c(Cl)cccc1Cl ZINC000000640729 193862103 /nfs/dbraw/zinc/86/21/03/193862103.db2.gz JAAZCHXLYCZXMV-MHWRWJLKSA-N 0 1 503.769 5.696 50 10 KKCAMN O=C(Cn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21)N1CCCc2ccccc21 ZINC000000638078 551506620 /nfs/dbraw/zinc/50/66/20/551506620.db2.gz LUBHLMVASRBAFJ-JLPGSUDCSA-N 0 1 599.510 5.215 50 10 KKCAMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NN(c4ccc(Br)c5ccccc54)C3=O)o2)cc1 ZINC000000666605 551517460 /nfs/dbraw/zinc/51/74/60/551517460.db2.gz UJNYRIJOAURMIK-RCCKNPSSSA-N 0 1 531.362 5.500 50 10 KKCAMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2Cl)C(=O)NC1=S ZINC000002063505 551744566 /nfs/dbraw/zinc/74/45/66/551744566.db2.gz KGXKQETYNJKOQA-WUXMJOGZSA-N 0 1 504.620 5.549 50 10 KKCAMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c1C)CCCC2 ZINC000002122167 551770859 /nfs/dbraw/zinc/77/08/59/551770859.db2.gz KDRIZBKXQTTYAA-STZFKDTASA-N 0 1 551.665 5.182 50 10 KKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000002122182 551770891 /nfs/dbraw/zinc/77/08/91/551770891.db2.gz UQTCGZLNEQASJM-QQXSKIMKSA-N 0 1 505.574 5.813 50 10 KKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000002156344 551779691 /nfs/dbraw/zinc/77/96/91/551779691.db2.gz NRRYJTQVCSJVKG-MDWZMJQESA-N 0 1 588.719 6.985 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1c(Cl)cccc1Cl ZINC000002180309 551785002 /nfs/dbraw/zinc/78/50/02/551785002.db2.gz RERDDHCUIJCRKX-GZTJUZNOSA-N 0 1 517.796 6.086 50 10 KKCAMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c1C)CCCC2 ZINC000002185144 551786146 /nfs/dbraw/zinc/78/61/46/551786146.db2.gz OCDFFAXRORGSFS-RCCKNPSSSA-N 0 1 533.675 5.042 50 10 KKCAMN CC(C)c1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)cc1 ZINC000002397571 552110347 /nfs/dbraw/zinc/11/03/47/552110347.db2.gz PFEDOVCQVDORKK-LFVJCYFKSA-N 0 1 516.066 6.698 50 10 KKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc21 ZINC000004289891 552456471 /nfs/dbraw/zinc/45/64/71/552456471.db2.gz LROMKLJNYUXANC-CQSZACIVSA-N 0 1 500.344 7.256 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000006600422 552602736 /nfs/dbraw/zinc/60/27/36/552602736.db2.gz BTALHQVXAJSDKD-RGVLZGJSSA-N 0 1 616.331 6.021 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000008383409 552986570 /nfs/dbraw/zinc/98/65/70/552986570.db2.gz RNGBYKZELQDTFC-TURZUDJPSA-N 0 1 638.974 8.059 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000008396170 552994883 /nfs/dbraw/zinc/99/48/83/552994883.db2.gz XLLQULAJRLBTRV-ZMOGYAJESA-N 0 1 557.563 5.160 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000008396167 552994901 /nfs/dbraw/zinc/99/49/01/552994901.db2.gz DCTXMHJXMOYLQV-PCLIKHOPSA-N 0 1 598.725 6.257 50 10 KKCAMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccc(C)cc4)CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000008437005 553031131 /nfs/dbraw/zinc/03/11/31/553031131.db2.gz LEQRUMMDJMNCOT-OVVQPSECSA-N 0 1 624.788 6.435 50 10 KKCAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000008441004 553039209 /nfs/dbraw/zinc/03/92/09/553039209.db2.gz RCGLCULGAFRERO-GRSHGNNSSA-N 0 1 697.776 6.434 50 10 KKCAMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000008451420 553061020 /nfs/dbraw/zinc/06/10/20/553061020.db2.gz BJAIPEQLEKQION-NLRVBDNBSA-N 0 1 610.761 6.127 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1cccc(C)c1 ZINC000008453135 553065703 /nfs/dbraw/zinc/06/57/03/553065703.db2.gz CHEJLRZERKDBFH-PXLXIMEGSA-N 0 1 537.410 5.075 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(Cl)cc1 ZINC000008453136 553065842 /nfs/dbraw/zinc/06/58/42/553065842.db2.gz VDLRXUISQVNKTD-PXLXIMEGSA-N 0 1 527.404 5.701 50 10 KKCAMN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=C1C(=O)NC(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000008721676 553129437 /nfs/dbraw/zinc/12/94/37/553129437.db2.gz RDFLIWZJKKGHBZ-ZCVOIMMBSA-N 0 1 517.586 5.304 50 10 KKCAMN CCCCc1ccc(N2C(=O)C(=Cc3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000008743333 553133557 /nfs/dbraw/zinc/13/35/57/553133557.db2.gz ZTFWCVBXPODCQB-YZSQISJMSA-N 0 1 511.622 6.843 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000008997244 553197759 /nfs/dbraw/zinc/19/77/59/553197759.db2.gz GJZXNAROXHYYGE-LPYMAVHISA-N 0 1 508.441 6.145 50 10 KKCAMN COc1ccc(-c2coc3c(C[N@H+]4CCC[C@H](C)C4)c([O-])c(C[NH+]4CCC[C@@H](C)C4)c([O-])c3c2=O)cc1 ZINC000009034085 553201932 /nfs/dbraw/zinc/20/19/32/553201932.db2.gz IYQRVYVIOCGQIP-UXHICEINSA-N 0 1 506.643 5.344 50 10 biogenic KKCAMN COc1ccc(-c2coc3c(C[NH+]4CCC[C@H](C)C4)c([O-])c(C[N@@H+]4CCC[C@@H](C)C4)c([O-])c3c2=O)cc1 ZINC000009034085 553201934 /nfs/dbraw/zinc/20/19/34/553201934.db2.gz IYQRVYVIOCGQIP-UXHICEINSA-N 0 1 506.643 5.344 50 10 biogenic KKCAMN COc1ccc(-c2coc3c(C[NH+]4CCC[C@H](C)C4)c([O-])c(C[N@H+]4CCC[C@@H](C)C4)c([O-])c3c2=O)cc1 ZINC000009034085 553201936 /nfs/dbraw/zinc/20/19/36/553201936.db2.gz IYQRVYVIOCGQIP-UXHICEINSA-N 0 1 506.643 5.344 50 10 biogenic KKCAMN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000009111077 553210257 /nfs/dbraw/zinc/21/02/57/553210257.db2.gz IZIAOPADRCMXMO-JVPIYLDOSA-N 0 1 506.602 5.284 50 10 KKCAMN CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)OC)cc4)c3C)C(=O)NC2=S)cc1 ZINC000009309902 553238586 /nfs/dbraw/zinc/23/85/86/553238586.db2.gz UXGPMDUOGAAJQP-UQQQWYQISA-N 0 1 515.635 5.055 50 10 KKCAMN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)o1 ZINC000009311431 553239473 /nfs/dbraw/zinc/23/94/73/553239473.db2.gz RGNWORZEITWCEX-GDNBJRDFSA-N 0 1 502.335 5.301 50 10 KKCAMN O=[N+]([O-])c1cc([C@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)ccc1N1CCCC1 ZINC000012554441 553393169 /nfs/dbraw/zinc/39/31/69/553393169.db2.gz ZBLFRDYLSJPRPI-FQRUVTKNSA-N 0 1 507.421 6.808 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000013942064 553496611 /nfs/dbraw/zinc/49/66/11/553496611.db2.gz CBZFAGURPBJCSQ-JCMHNJIXSA-N 0 1 506.986 5.275 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000016675993 553571710 /nfs/dbraw/zinc/57/17/10/553571710.db2.gz JWDKFDJEOMVZHP-RGVLZGJSSA-N 0 1 514.832 5.341 50 10 KKCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc(OC)c1O ZINC000085879598 553689732 /nfs/dbraw/zinc/68/97/32/553689732.db2.gz OKPRAOPRQMOASK-UHFFFAOYSA-N 0 1 519.554 5.710 50 10 biogenic KKCAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OCC(C)C ZINC000096114269 553724958 /nfs/dbraw/zinc/72/49/58/553724958.db2.gz IYEIYIFAPQWLCP-KRWDZBQOSA-N 0 1 518.518 5.061 50 10 biogenic KKCAMN Cc1cc(N2Cc3ccccc3C2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000096265417 553731775 /nfs/dbraw/zinc/73/17/75/553731775.db2.gz CNCNLYVPADJEBJ-UDWIEESQSA-N 0 1 508.430 5.653 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000097960875 553874104 /nfs/dbraw/zinc/87/41/04/553874104.db2.gz OTONYBXWKQVLLF-UQQQWYQISA-N 0 1 615.180 7.612 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000033332242 553920969 /nfs/dbraw/zinc/92/09/69/553920969.db2.gz RGVUGEHUZAOZNY-BKUYFWCQSA-N 0 1 507.384 5.197 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1cccc(C)c1 ZINC000033332241 553921204 /nfs/dbraw/zinc/92/12/04/553921204.db2.gz DUZZPNOOIJVLBL-BKUYFWCQSA-N 0 1 507.384 5.197 50 10 KKCAMN COc1ccc2c(c1)cc([C@H]1CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c31)c(=O)n2CC(C)C ZINC000097971910 553963930 /nfs/dbraw/zinc/96/39/30/553963930.db2.gz NNRGYWHBOHVITB-HXUWFJFHSA-N 0 1 553.567 5.292 50 10 biogenic KKCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@@H](c1ccccc1OCCc1ccc3c(c1)CCO3)CC(=O)O2 ZINC000097972015 553964929 /nfs/dbraw/zinc/96/49/29/553964929.db2.gz WMDPLOVVUAEOTM-JOCHJYFZSA-N 0 1 578.573 5.574 50 10 biogenic KKCAMN COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c1OCCc1ccccc1 ZINC000097972097 553966014 /nfs/dbraw/zinc/96/60/14/553966014.db2.gz GEKYQPFKUJTVFM-OAQYLSRUSA-N 0 1 566.562 5.648 50 10 biogenic KKCAMN O=C1N=C(c2ccccc2)C(c2nc3ccccc3[nH]2)[C@H](c2cc(Br)cc(Br)c2O)N1 ZINC000097983883 554012786 /nfs/dbraw/zinc/01/27/86/554012786.db2.gz ZQERSNJGOGSBMP-FQEVSTJZSA-N 0 1 540.215 5.716 50 10 KKCAMN CC(=O)Nc1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c2C)cc1 ZINC000034857023 554021772 /nfs/dbraw/zinc/02/17/72/554021772.db2.gz CXPCDKRNWDOEPG-BKUYFWCQSA-N 0 1 507.015 5.686 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000100206541 554248004 /nfs/dbraw/zinc/24/80/04/554248004.db2.gz SWVZXNFSHVMJOF-GZTJUZNOSA-N 0 1 610.304 6.145 50 10 KKCAMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc([C@@H](C)CC)cc4)C3=O)c1C)CCCC2 ZINC000100209910 554248970 /nfs/dbraw/zinc/24/89/70/554248970.db2.gz GHTPEBZIOIQCMY-WLXKGNRNSA-N 0 1 589.783 6.556 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000100211545 554249182 /nfs/dbraw/zinc/24/91/82/554249182.db2.gz PUMBLMICIWMNGQ-XSFVSMFZSA-N 0 1 526.489 6.530 50 10 KKCAMN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O ZINC000059222182 554385885 /nfs/dbraw/zinc/38/58/85/554385885.db2.gz JWFHHNBOJPFQEU-MIXAMLLLSA-N 0 1 550.663 6.584 50 10 KKCAMN Cc1ccc(CN2C(=O)/C(=C/c3c(=O)n4cccc(C)c4nc3N3CCN(Cc4ccccc4)CC3)SC2=S)cc1 ZINC000100763197 554469103 /nfs/dbraw/zinc/46/91/03/554469103.db2.gz YVBOLTMWBYOHFR-DIBXZPPDSA-N 0 1 581.767 5.035 50 10 KKCAMN Cc1ccc(CN2C(=O)/C(=C\c3c(=O)n4cccc(C)c4nc3N3CCN(Cc4ccccc4)CC3)SC2=S)cc1 ZINC000100884433 554508328 /nfs/dbraw/zinc/50/83/28/554508328.db2.gz YVBOLTMWBYOHFR-ZXVVBBHZSA-N 0 1 581.767 5.035 50 10 KKCAMN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000101057659 554569736 /nfs/dbraw/zinc/56/97/36/554569736.db2.gz OSFLPLNXNKVLGX-JVPIYLDOSA-N 0 1 541.047 5.937 50 10 KKCAMN COc1cccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000101078860 554578530 /nfs/dbraw/zinc/57/85/30/554578530.db2.gz AQRVVDAYHJDXDL-XAEBNIDXSA-N 0 1 536.628 5.292 50 10 KKCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1ccc(C)cc1 ZINC000101386664 554752448 /nfs/dbraw/zinc/75/24/48/554752448.db2.gz LWSPLFIKYFOVFL-JCMHNJIXSA-N 0 1 537.410 5.075 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(/C=C4\Sc5ccccc5N(Cc5ccc(F)cc5)C4=O)cc3)CC2)cc1 ZINC000101687048 554829721 /nfs/dbraw/zinc/82/97/21/554829721.db2.gz WSIGAAUNMWMRQF-CKWSZQMZSA-N 0 1 636.793 6.456 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C/c4ccc(C(F)(F)F)cc4)Sc4ccccc43)CC2)cc1 ZINC000101686959 554829770 /nfs/dbraw/zinc/82/97/70/554829770.db2.gz ZDTSUPPQFMCDGN-ANYBSYGZSA-N 0 1 610.702 5.522 50 10 KKCAMN C[N@@H+](CCc1ccccn1)Cc1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 ZINC000102769937 555057124 /nfs/dbraw/zinc/05/71/24/555057124.db2.gz DOVOXQLJDQJMHI-PXJZQJOASA-N 0 1 589.784 6.091 50 10 KKCAMN Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000103646681 555460774 /nfs/dbraw/zinc/46/07/74/555460774.db2.gz MSLDYWNTCGRENF-DHDCSXOGSA-N 0 1 556.216 5.835 50 10 KKCAMN Cc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000103861795 571367573 /nfs/dbraw/zinc/36/75/73/571367573.db2.gz AFQORUCUEQIQPW-YQYKVWLJSA-N 0 1 567.714 7.568 50 10 KKCAMN Cc1c(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000105966288 571409590 /nfs/dbraw/zinc/40/95/90/571409590.db2.gz XZDNSYHGJHLPTB-HAHDFKILSA-N 0 1 530.447 5.592 50 10 KKCAMN COC(=O)C[C@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448451 571424179 /nfs/dbraw/zinc/42/41/79/571424179.db2.gz OMTYAVMNZCQKEU-LJQANCHMSA-N 0 1 556.523 5.318 50 10 biogenic KKCAMN COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1 ZINC000108448395 571424223 /nfs/dbraw/zinc/42/42/23/571424223.db2.gz UEKYBLGEGGFLEF-HSZRJFAPSA-N 0 1 550.563 5.942 50 10 biogenic KKCAMN COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1 ZINC000108448395 571424224 /nfs/dbraw/zinc/42/42/24/571424224.db2.gz UEKYBLGEGGFLEF-HSZRJFAPSA-N 0 1 550.563 5.942 50 10 biogenic KKCAMN COC(=O)C[C@H](c1cc2cc3ccccc3cc2[nH]c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108451526 571425776 /nfs/dbraw/zinc/42/57/76/571425776.db2.gz HADQVKZVHDIADJ-HXUWFJFHSA-N 0 1 549.535 5.267 50 10 biogenic KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000150365514 571464665 /nfs/dbraw/zinc/46/46/65/571464665.db2.gz TUOYNMMXKZQNJF-ONUIUJJFSA-N 0 1 673.419 8.712 50 10 KKCAMN CCCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000150396120 571476288 /nfs/dbraw/zinc/47/62/88/571476288.db2.gz SVQIBCVSSBRPSK-WJOKGBTCSA-N 0 1 680.271 5.689 50 10 KKCAMN CC(C)c1ccc2c(c1)[C@H](OCCN1CCN([C@@H]3Cc4ccc(F)cc4Sc4ccc(C(C)C)cc43)CC1)Cc1ccc(F)cc1S2 ZINC000153632729 571529529 /nfs/dbraw/zinc/52/95/29/571529529.db2.gz RTLRVSHZJUJWRW-LQFQNGICSA-N 0 1 670.935 10.043 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000229973650 572175903 /nfs/dbraw/zinc/17/59/03/572175903.db2.gz IZIAOPADRCMXMO-GZNUUUAQSA-N 0 1 506.602 5.284 50 10 KKCAMN COCC[N@@H+](Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729112 1069826330 /nfs/dbraw/zinc/82/63/30/1069826330.db2.gz DFIIHXOHEZLPJN-RBJSKKJNSA-N 0 1 504.671 5.111 50 10 KKCAMN COCC[N@H+](Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729112 1069826347 /nfs/dbraw/zinc/82/63/47/1069826347.db2.gz DFIIHXOHEZLPJN-RBJSKKJNSA-N 0 1 504.671 5.111 50 10 KKCAMN COCCC[N@@H+](Cc1cc2c(C)c(Cc3ccccc3)c(=O)oc2c(C)c1[O-])C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729914 1069828055 /nfs/dbraw/zinc/82/80/55/1069828055.db2.gz OEOZUAHTYWQVCC-FREGXXQWSA-N 0 1 532.725 5.809 50 10 KKCAMN COCCC[N@H+](Cc1cc2c(C)c(Cc3ccccc3)c(=O)oc2c(C)c1[O-])C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729914 1069828075 /nfs/dbraw/zinc/82/80/75/1069828075.db2.gz OEOZUAHTYWQVCC-FREGXXQWSA-N 0 1 532.725 5.809 50 10 KKCAMN COCCC[N@@H+](Cc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1[O-])C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730639 1069830576 /nfs/dbraw/zinc/83/05/76/1069830576.db2.gz QIGCXNSRTAVUER-RPLLCQBOSA-N 0 1 504.671 5.577 50 10 KKCAMN COCCC[N@H+](Cc1c(C)cc2oc(=O)cc(-c3ccccc3)c2c1[O-])C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730639 1069830605 /nfs/dbraw/zinc/83/06/05/1069830605.db2.gz QIGCXNSRTAVUER-RPLLCQBOSA-N 0 1 504.671 5.577 50 10 KKCAMN COC(=O)C[C@@H](c1ccc(OCCc2ccccc2)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108450548 193926065 /nfs/dbraw/zinc/92/60/65/193926065.db2.gz RSQLULNQZUJINX-DEOSSOPVSA-N 0 1 552.579 5.893 50 10 biogenic KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000000843354 551547646 /nfs/dbraw/zinc/54/76/46/551547646.db2.gz OYRLQGMIGWRJSR-LPYMAVHISA-N 0 1 508.441 5.305 50 10 KKCAMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)c(C)c1 ZINC000000980510 551591800 /nfs/dbraw/zinc/59/18/00/551591800.db2.gz ZWIWOSRVFGKQDH-LDADJPATSA-N 0 1 542.444 5.327 50 10 KKCAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(-c4nc(-c5ccc(Br)cc5)cs4)c(=O)oc32)C1 ZINC000001749465 551692776 /nfs/dbraw/zinc/69/27/76/551692776.db2.gz GKKSJWFCYXMJII-HNNXBMFYSA-N 0 1 511.441 6.284 50 10 KKCAMN CC[N@@H+](Cc1c([O-])ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc21)C1CCCCC1 ZINC000001768223 551695509 /nfs/dbraw/zinc/69/55/09/551695509.db2.gz RYNYEZGLRIXEAK-UHFFFAOYSA-N 0 1 505.533 6.356 50 10 biogenic KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2CCCC[C@@H]2C)c(=O)c1-c1nc2ccccc2s1 ZINC000001811480 551706536 /nfs/dbraw/zinc/70/65/36/551706536.db2.gz KWSGHFAHHLFGSK-INIZCTEOSA-N 0 1 506.624 5.889 50 10 KKCAMN Cc1ccc(N2C(=O)/C(=C/c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000002062478 551743510 /nfs/dbraw/zinc/74/35/10/551743510.db2.gz MLVDNEHFKVEGJX-ZTKZIYFRSA-N 0 1 574.105 7.604 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000002075728 551749934 /nfs/dbraw/zinc/74/99/34/551749934.db2.gz MYFFTNXOZSUTRK-ITYLOYPMSA-N 0 1 594.523 7.949 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000002180223 551784949 /nfs/dbraw/zinc/78/49/49/551784949.db2.gz JNVQSCMLLNGKRJ-GZTJUZNOSA-N 0 1 562.247 6.195 50 10 KKCAMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002394712 552109694 /nfs/dbraw/zinc/10/96/94/552109694.db2.gz HKPDAINRBLEGBF-JJIBRWJFSA-N 0 1 524.045 6.728 50 10 KKCAMN COc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)cc1 ZINC000002409221 552113197 /nfs/dbraw/zinc/11/31/97/552113197.db2.gz ZHYZRPXHMPDQDZ-PXLXIMEGSA-N 0 1 504.011 5.583 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000004083457 552434189 /nfs/dbraw/zinc/43/41/89/552434189.db2.gz OLJTTYRFRAZCPW-UDWIEESQSA-N 0 1 584.485 5.741 50 10 KKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc21 ZINC000004290043 552456342 /nfs/dbraw/zinc/45/63/42/552456342.db2.gz HEAXXEBGNIFVOI-OAQYLSRUSA-N 0 1 523.551 7.741 50 10 KKCAMN C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])ccc3cc(-c4nc(-c5ccc(Br)cc5)cs4)c(=O)oc31)C2 ZINC000008385982 552991557 /nfs/dbraw/zinc/99/15/57/552991557.db2.gz FLSPKZMMXYJVNO-WRONEBCDSA-N 0 1 565.533 7.452 50 10 KKCAMN COc1cccc(N2C(=O)c3cc(I)ccc3N[C@H]2c2cc(Br)cc(Br)c2O)c1 ZINC000008432138 553025156 /nfs/dbraw/zinc/02/51/56/553025156.db2.gz PYPPZVAVXWEELW-HXUWFJFHSA-N 0 1 630.074 6.302 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000008437002 553031146 /nfs/dbraw/zinc/03/11/46/553031146.db2.gz NJHUXNZXWFTXDA-YZSQISJMSA-N 0 1 687.685 7.497 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCCCOc1ccc(Cl)cc1 ZINC000008453125 553065470 /nfs/dbraw/zinc/06/54/70/553065470.db2.gz FNMLPTIFXXYCJT-KGENOOAVSA-N 0 1 604.828 5.263 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1ccc(Cl)cc1 ZINC000008453132 553065771 /nfs/dbraw/zinc/06/57/71/553065771.db2.gz XXFYDSCLFGOEFZ-KGENOOAVSA-N 0 1 557.828 5.420 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000008454076 553067592 /nfs/dbraw/zinc/06/75/92/553067592.db2.gz FGHQQNJVUWGHMM-VFCFBJKWSA-N 0 1 560.078 7.296 50 10 KKCAMN Cc1ccc(C(C)C)c(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000008742604 553133306 /nfs/dbraw/zinc/13/33/06/553133306.db2.gz JUUHGOAQFNPJQE-YZSQISJMSA-N 0 1 525.605 6.638 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000008744477 553134246 /nfs/dbraw/zinc/13/42/46/553134246.db2.gz REDVCXGOJWOVEL-VCHYOVAHSA-N 0 1 504.826 6.726 50 10 KKCAMN CCCC1=Nc2cc(C(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)ccc2Sc2ccccc21 ZINC000009561599 553281338 /nfs/dbraw/zinc/28/13/38/553281338.db2.gz DFBDFOFPIRGWPE-UHFFFAOYSA-N 0 1 528.722 6.023 50 10 KKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cn(CCCOc2ccc(Cl)cc2)c2ccccc12 ZINC000013570766 553473879 /nfs/dbraw/zinc/47/38/79/553473879.db2.gz LFQYBGGULOXBPN-HZHRSRAPSA-N 0 1 503.942 5.019 50 10 KKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013804326 553491486 /nfs/dbraw/zinc/49/14/86/553491486.db2.gz HLDCJIGZVGRJGB-VDKIKQQVSA-N 0 1 505.357 5.903 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1c(C)cccc1C ZINC000017057658 553587577 /nfs/dbraw/zinc/58/75/77/553587577.db2.gz UIMYYAMQVPCPEE-JCMHNJIXSA-N 0 1 504.539 5.255 50 10 KKCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Br)c(C(F)(F)F)oc32)CC1 ZINC000022451250 553742301 /nfs/dbraw/zinc/74/23/01/553742301.db2.gz NAOBZXUPMGUBDO-UHFFFAOYSA-N 0 1 527.337 5.210 50 10 KKCAMN O=C1NC(=O)N(C2CCCCC2)C(=O)C1=Cc1cn(CCOc2ccc3c(c2)OCO3)c2ccccc12 ZINC000027570736 553835228 /nfs/dbraw/zinc/83/52/28/553835228.db2.gz QDCXOCHVNUBAMK-HYARGMPZSA-N 0 1 501.539 5.084 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000097958182 553851992 /nfs/dbraw/zinc/85/19/92/553851992.db2.gz AUCRBQMZMIZQNW-VXLYETTFSA-N 0 1 562.247 6.195 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000097958592 553856236 /nfs/dbraw/zinc/85/62/36/553856236.db2.gz FLNRXKUBJOVVDL-GIJQJNRQSA-N 0 1 595.220 5.647 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(Cl)c(C)c1 ZINC000097959176 553861355 /nfs/dbraw/zinc/86/13/55/553861355.db2.gz BASWUSHCLJLXET-DEDYPNTBSA-N 0 1 557.828 5.339 50 10 KKCAMN CCCCCCOc1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2OCC)cc1 ZINC000097959262 553862295 /nfs/dbraw/zinc/86/22/95/553862295.db2.gz MQNIHFQQQGPBEE-XAYXJRQQSA-N 0 1 544.648 5.964 50 10 KKCAMN COc1cc(/C=C2/C(=O)NN(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000032099476 553862632 /nfs/dbraw/zinc/86/26/32/553862632.db2.gz KXEJPLDLNJDDHC-NDENLUEZSA-N 0 1 513.775 5.152 50 10 KKCAMN COc1ccc(N2C(=O)C(=Cc3ccc(OCc4ccc(Cl)c(Cl)c4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000097960815 553873689 /nfs/dbraw/zinc/87/36/89/553873689.db2.gz GOFZWLGZXKGSEZ-YBFXNURJSA-N 0 1 543.428 6.261 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Br)c(Br)c1O ZINC000097960952 553874392 /nfs/dbraw/zinc/87/43/92/553874392.db2.gz INALQNRLHLELLV-GHXNOFRVSA-N 0 1 540.233 5.214 50 10 KKCAMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000097960961 553874760 /nfs/dbraw/zinc/87/47/60/553874760.db2.gz VLKBCNCBNXDZNZ-OCKHKDLRSA-N 0 1 699.248 8.476 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000097960992 553874762 /nfs/dbraw/zinc/87/47/62/553874762.db2.gz XKDONVBLVHKAME-BOPFTXTBSA-N 0 1 563.304 7.143 50 10 KKCAMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000097961735 553880618 /nfs/dbraw/zinc/88/06/18/553880618.db2.gz MHOVQZPOSDYZLJ-UDWIEESQSA-N 0 1 527.415 5.140 50 10 KKCAMN COc1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OCc1c(F)cccc1Cl ZINC000097961978 553881933 /nfs/dbraw/zinc/88/19/33/553881933.db2.gz LILVOJAUBWHKQZ-RGVLZGJSSA-N 0 1 535.043 5.674 50 10 KKCAMN COc1cc(N2Cc3ccccc3C2)ccc1C=C1C(=O)NC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000033355276 553933926 /nfs/dbraw/zinc/93/39/26/553933926.db2.gz GAGPGYWQNVINQG-UYOCIXKTSA-N 0 1 524.429 6.194 50 10 KKCAMN Cc1cc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc(C)c1Cl ZINC000097969474 553941104 /nfs/dbraw/zinc/94/11/04/553941104.db2.gz YRZRSTZSGIGBRQ-IWIPYMOSSA-N 0 1 531.996 5.840 50 10 KKCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@H](c1ccccc1OCCc1ccccc1)CC(=O)O2 ZINC000097971867 553963636 /nfs/dbraw/zinc/96/36/36/553963636.db2.gz LIWGSLKTKCARAY-NRFANRHFSA-N 0 1 536.536 5.639 50 10 biogenic KKCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@@H](c1ccc(OCCc3ccc4c(c3)CCO4)cc1)CC(=O)O2 ZINC000097972032 553965348 /nfs/dbraw/zinc/96/53/48/553965348.db2.gz NQIOGLIHERFQSB-HSZRJFAPSA-N 0 1 578.573 5.574 50 10 biogenic KKCAMN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@H](c2cc(Br)cc(Br)c2O)N1 ZINC000097983732 554011274 /nfs/dbraw/zinc/01/12/74/554011274.db2.gz AOPGVXGXMGVWEX-FQEVSTJZSA-N 0 1 557.267 6.449 50 10 KKCAMN CCOc1ccc2nc(SCC(=O)NCc3cc(Cl)c(CNC(=O)CSc4nc5ccc(OCC)cc5s4)c(Cl)c3O)sc2c1 ZINC000098023180 554120467 /nfs/dbraw/zinc/12/04/67/554120467.db2.gz HGRKURGLGLYXFX-UHFFFAOYSA-N 0 1 723.751 7.533 50 10 KKCAMN Cc1cccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000100144980 554230398 /nfs/dbraw/zinc/23/03/98/554230398.db2.gz IRNKLPASICHGIX-BRPDVVIDSA-N 0 1 574.105 7.604 50 10 KKCAMN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000100240993 554260263 /nfs/dbraw/zinc/26/02/63/554260263.db2.gz AHACFJUIYPHWAF-VAMRJTSQSA-N 0 1 583.713 7.350 50 10 KKCAMN Cc1ccccc1N1C(=O)/C(=C\c2cc(I)c(O)c(I)c2)SC1=S ZINC000100340025 554324563 /nfs/dbraw/zinc/32/45/63/554324563.db2.gz KBBRNGQUBVQWJR-RIYZIHGNSA-N 0 1 579.222 5.316 50 10 KKCAMN CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000101035203 554565346 /nfs/dbraw/zinc/56/53/46/554565346.db2.gz LGZVEMJNEFQJAH-JRLXJTRMSA-N 0 1 548.683 6.236 50 10 KKCAMN CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccc(Cl)c(NC=C2C(=O)N(c3ccccc3C)N=C2C)c1 ZINC000101140602 554653162 /nfs/dbraw/zinc/65/31/62/554653162.db2.gz PEWNSLROSFETIN-WPHIWBHXSA-N 0 1 539.039 6.394 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1ccc(Cl)cc1 ZINC000101374313 554745811 /nfs/dbraw/zinc/74/58/11/554745811.db2.gz VCTBCYQAXVNCCP-JCMHNJIXSA-N 0 1 571.855 5.811 50 10 KKCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000101738419 554833988 /nfs/dbraw/zinc/83/39/88/554833988.db2.gz RTRVWQUUXVXBJG-PDGQHHTCSA-N 0 1 520.330 5.090 50 10 KKCAMN COc1cc(Br)c(Br)c([C@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)c1O ZINC000102096635 554879460 /nfs/dbraw/zinc/87/94/60/554879460.db2.gz NRTXPMMMZHNIJA-QGZVFWFLSA-N 0 1 531.270 5.183 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(/C=C4/Oc5ccccc5N(Cc5ccc(C)cc5)C4=O)cc3)CC2)cc1 ZINC000102771052 555059345 /nfs/dbraw/zinc/05/93/45/555059345.db2.gz ADPQKFMSJFXJPV-LZBRRTOVSA-N 0 1 616.762 5.912 50 10 KKCAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103060531 555241817 /nfs/dbraw/zinc/24/18/17/555241817.db2.gz QDRHTFDQEJVLLQ-BNSAVYCWSA-N 0 1 576.737 7.016 50 10 KKCAMN CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccccc2)cc1 ZINC000103450604 555420709 /nfs/dbraw/zinc/42/07/09/555420709.db2.gz UYYRIQFOTLTJOH-YTTGMZPUSA-N 0 1 507.678 7.568 50 10 KKCAMN COc1cc(N2Cc3ccccc3C2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000105966118 571409600 /nfs/dbraw/zinc/40/96/00/571409600.db2.gz LIIAGQJAKDRTQF-YBFXNURJSA-N 0 1 524.429 5.354 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C\c4ccc(OC)c(Br)c4)Sc4ccccc43)CC2)cc1 ZINC000150387276 571469970 /nfs/dbraw/zinc/46/99/70/571469970.db2.gz YKRXGHQPEBZQBL-MWAVMZGNSA-N 0 1 651.627 5.275 50 10 KKCAMN COc1cc2c(c([O-])c1Oc1c(OC(C)=O)c(OC)cc3c1[C@H](CC(C)C)[N@@H+](C)CC3)[C@H](CC(C)C)[NH+](C)CC2 ZINC000245238952 572212730 /nfs/dbraw/zinc/21/27/30/572212730.db2.gz CVJITLJMPNQSDF-ZEQRLZLVSA-N 0 1 554.728 6.277 50 10 KKCAMN COc1cc2c(c([O-])c1Oc1c(OC(C)=O)c(OC)cc3c1[C@H](CC(C)C)[NH+](C)CC3)[C@H](CC(C)C)[N@@H+](C)CC2 ZINC000245238952 572212734 /nfs/dbraw/zinc/21/27/34/572212734.db2.gz CVJITLJMPNQSDF-ZEQRLZLVSA-N 0 1 554.728 6.277 50 10 KKCAMN COc1ccc(N2CCN(C(=O)[C@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000248127098 572254625 /nfs/dbraw/zinc/25/46/25/572254625.db2.gz IHROTGCIXZFFKE-QHCPKHFHSA-N 0 1 588.550 5.357 50 10 KKCAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000248257508 572257319 /nfs/dbraw/zinc/25/73/19/572257319.db2.gz LGZVEMJNEFQJAH-IRYJCKHSSA-N 0 1 548.683 6.236 50 10 KKCAMN COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 ZINC000824692122 1071285312 /nfs/dbraw/zinc/28/53/12/1071285312.db2.gz PCPNHLJOEKUNCR-HHHXNRCGSA-N 0 1 543.664 5.322 50 10 KKCAMN COc1ccc(OC)c(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)c1 ZINC000034378918 1073208511 /nfs/dbraw/zinc/20/85/11/1073208511.db2.gz MVVDWLOIPVMOAL-KQWNVCNZSA-N 0 1 513.619 5.328 50 10 KKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2cc(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)oc21 ZINC000001803306 551704131 /nfs/dbraw/zinc/70/41/31/551704131.db2.gz LDLXSQIUTDJOKC-OAHLLOKOSA-N 0 1 511.441 6.426 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2CCCC[C@H]2C)c(=O)c1-c1nc2ccccc2s1 ZINC000001811478 551706510 /nfs/dbraw/zinc/70/65/10/551706510.db2.gz KWSGHFAHHLFGSK-MRXNPFEDSA-N 0 1 506.624 5.889 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000002063503 551744561 /nfs/dbraw/zinc/74/45/61/551744561.db2.gz WKVDYIVQEJZHSU-LPYMAVHISA-N 0 1 551.462 5.567 50 10 KKCAMN COc1ccc(OC)c(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)c1 ZINC000002399487 552111007 /nfs/dbraw/zinc/11/10/07/552111007.db2.gz MGPNWKJYCGNSMG-KGENOOAVSA-N 0 1 534.037 5.592 50 10 KKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21 ZINC000006142263 552543461 /nfs/dbraw/zinc/54/34/61/552543461.db2.gz AMYVVRXJMVQHCS-CYBMUJFWSA-N 0 1 512.322 6.447 50 10 KKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21 ZINC000006142264 552543489 /nfs/dbraw/zinc/54/34/89/552543489.db2.gz AMYVVRXJMVQHCS-ZDUSSCGKSA-N 0 1 512.322 6.447 50 10 KKCAMN Cc1ccc(N2C(=O)/C(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000006245147 552573937 /nfs/dbraw/zinc/57/39/37/552573937.db2.gz JBVQSAWTIIIUHB-ZTKZIYFRSA-N 0 1 584.657 6.859 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000006474188 552592230 /nfs/dbraw/zinc/59/22/30/552592230.db2.gz ANJQSTLXNMMESV-VFCFBJKWSA-N 0 1 560.078 7.296 50 10 KKCAMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1 ZINC000008436983 553031153 /nfs/dbraw/zinc/03/11/53/553031153.db2.gz IBCKZZFLAPKVQK-VCHYOVAHSA-N 0 1 547.883 6.295 50 10 KKCAMN Cc1cc(Br)ccc1N1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2Cl)C(=O)NC1=S ZINC000008441005 553039245 /nfs/dbraw/zinc/03/92/45/553039245.db2.gz KGXKQETYNJKOQA-SDQBBNPISA-N 0 1 504.620 5.549 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000008451447 553061134 /nfs/dbraw/zinc/06/11/34/553061134.db2.gz XWXGNIOSLRIAQC-KOEQRZSOSA-N 0 1 659.631 6.881 50 10 KKCAMN CCCOc1c(Br)c(Br)c(/C=C2\C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1OCC ZINC000008456172 553074329 /nfs/dbraw/zinc/07/43/29/553074329.db2.gz ASOCINOJQCHHRP-GHRIWEEISA-N 0 1 580.273 5.104 50 10 KKCAMN Cc1nn(Cc2ccccc2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O ZINC000008721679 553129461 /nfs/dbraw/zinc/12/94/61/553129461.db2.gz UWTTUBVGRAMJJB-FSGOGVSDSA-N 0 1 519.693 6.735 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2CCCC[C@H]2C)c(=O)c1-c1nc2ccccc2n1C ZINC000008740645 553132394 /nfs/dbraw/zinc/13/23/94/553132394.db2.gz SYHXUTAPPGWGAK-QGZVFWFLSA-N 0 1 503.599 5.166 50 10 KKCAMN CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)cc1 ZINC000008990102 553197089 /nfs/dbraw/zinc/19/70/89/553197089.db2.gz NGNAKLQRDWIUJM-ATVHPVEESA-N 0 1 515.850 5.396 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2CCCC[C@H]2C)c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000009075552 553207342 /nfs/dbraw/zinc/20/73/42/553207342.db2.gz VESOEZFVHBRFHI-QGZVFWFLSA-N 0 1 507.583 5.050 50 10 KKCAMN O=C1NC(=S)N(c2cccc3ccccc32)C(=O)/C1=C/c1ccc2c(c1)CCCN2Cc1ccccc1 ZINC000009111595 553210600 /nfs/dbraw/zinc/21/06/00/553210600.db2.gz KDIVCXWJBJMKMU-LGUFXXKBSA-N 0 1 503.627 5.624 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000012363155 553359473 /nfs/dbraw/zinc/35/94/73/553359473.db2.gz PPGPTPKZHWJVIE-ZDLGFXPLSA-N 0 1 504.826 5.886 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccc(C)c(C)c1 ZINC000013552498 553470732 /nfs/dbraw/zinc/47/07/32/553470732.db2.gz NGBPLXIEXQEMGU-HZHRSRAPSA-N 0 1 504.539 5.255 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000013895297 553494506 /nfs/dbraw/zinc/49/45/06/553494506.db2.gz JXJXRUYSUJMYTM-SGWCAAJKSA-N 0 1 526.633 6.052 50 10 KKCAMN COc1ccc(CCOc2ccc(-c3c4oc5c(ccc(O)c5O)c4nc4c3c(=O)[nH]n4C(C)C)cc2)cc1 ZINC000085876504 553689034 /nfs/dbraw/zinc/68/90/34/553689034.db2.gz DQDLCWXPHLBBGY-UHFFFAOYSA-N 0 1 525.561 5.913 50 10 biogenic KKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)c(OC)c1 ZINC000095475899 553701769 /nfs/dbraw/zinc/70/17/69/553701769.db2.gz KVQULIWACVZTON-UHFFFAOYSA-N 0 1 503.555 6.417 50 10 KKCAMN COc1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OCC(C)C ZINC000096116255 553726835 /nfs/dbraw/zinc/72/68/35/553726835.db2.gz PTXNBJSMSWJGIO-GOSISDBHSA-N 0 1 502.519 5.356 50 10 biogenic KKCAMN CCc1cc(C)cc(OCCOc2ccc(Br)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)c1 ZINC000027527827 553830898 /nfs/dbraw/zinc/83/08/98/553830898.db2.gz KKQNUMWVFRIFFS-ULJHMMPZSA-N 0 1 521.411 5.239 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000097957884 553849156 /nfs/dbraw/zinc/84/91/56/553849156.db2.gz ORFLCKBQYNPZCU-OCKHKDLRSA-N 0 1 524.396 5.257 50 10 KKCAMN COc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3sc4c(c3C(=O)Nc3ccccc3)CCCC4)c2C)C(=O)NC1=S ZINC000097960853 553873668 /nfs/dbraw/zinc/87/36/68/553873668.db2.gz BRYFQHZVTMILCC-HKOYGPOVSA-N 0 1 610.761 6.967 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000033353952 553927955 /nfs/dbraw/zinc/92/79/55/553927955.db2.gz WHEJDCGKPUCPIU-ONUIUJJFSA-N 0 1 673.658 8.029 50 10 KKCAMN CCCOc1ccc(CN2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC)c(OCC)c3)C2=O)cc1OC ZINC000033526129 553961712 /nfs/dbraw/zinc/96/17/12/553961712.db2.gz ZSEIXTDRHWSMHY-WQRHYEAKSA-N 0 1 516.978 5.437 50 10 KKCAMN CCCOc1ccc(CN2C(=O)NC(=O)C(=Cc3ccc(OCc4ccccc4F)cc3)C2=O)cc1OC ZINC000033793672 553974158 /nfs/dbraw/zinc/97/41/58/553974158.db2.gz XDJWZHSHCSCKOB-HAHDFKILSA-N 0 1 518.541 5.704 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)nc3n(c4=O)CC/C3=C\c3ccc(OC)c(OCc4ccccc4)c3)CC2)cc1 ZINC000097981150 553991853 /nfs/dbraw/zinc/99/18/53/553991853.db2.gz DDFRXZUFXWMXBH-QCKNELIISA-N 0 1 685.825 5.879 50 10 KKCAMN Cc1cc(Br)ccc1N1C(=O)C(=Cc2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S ZINC000036543825 554225189 /nfs/dbraw/zinc/22/51/89/554225189.db2.gz GLZRIXKKASLYMI-PDGQHHTCSA-N 0 1 500.805 5.873 50 10 KKCAMN COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4cccc5ccccc54)c(OC)c3)C(=O)NC2=S)cc1 ZINC000100201646 554247003 /nfs/dbraw/zinc/24/70/03/554247003.db2.gz ZLPXLQVYYGBXHP-PCLIKHOPSA-N 0 1 524.598 5.267 50 10 KKCAMN CCOC(=O)c1c(N=Cc2c(C)[nH]n(-c3ccc(I)cc3)c2=O)sc2c1CCCC2 ZINC000100209374 554248615 /nfs/dbraw/zinc/24/86/15/554248615.db2.gz MAIMFTYGEKUQIW-SFQUDFHCSA-N 0 1 535.407 5.127 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000100223502 554252406 /nfs/dbraw/zinc/25/24/06/554252406.db2.gz OMNYSVUSVNRMPZ-WJDWOHSUSA-N 0 1 531.443 5.376 50 10 KKCAMN Cc1ccc(CN2C(=O)/C(=C\c3c(=O)n4cc(C)ccc4nc3N3CCN(Cc4ccccc4)CC3)SC2=S)cc1 ZINC000100884436 554508367 /nfs/dbraw/zinc/50/83/67/554508367.db2.gz DKMVIUSHCPKBBA-OVVQPSECSA-N 0 1 581.767 5.035 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(Cl)cc1 ZINC000101409902 554763354 /nfs/dbraw/zinc/76/33/54/554763354.db2.gz VDLRXUISQVNKTD-JCMHNJIXSA-N 0 1 527.404 5.701 50 10 KKCAMN COc1cc(N2Cc3ccccc3C2)ccc1/C=C1\C(=O)NC(=S)N(c2cc(Cl)cc(Cl)c2)C1=O ZINC000103555400 555445851 /nfs/dbraw/zinc/44/58/51/555445851.db2.gz GAGPGYWQNVINQG-GZIVZEMBSA-N 0 1 524.429 5.354 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1c(Cl)cccc1Cl ZINC000103680115 555462257 /nfs/dbraw/zinc/46/22/57/555462257.db2.gz JNVQSCMLLNGKRJ-BOPFTXTBSA-N 0 1 562.247 6.195 50 10 KKCAMN COC(=O)C[C@@H](c1cccc(OCc2ccc(C(C)C)cc2)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448918 571424541 /nfs/dbraw/zinc/42/45/41/571424541.db2.gz JRTWIOJTCRAXDT-SANMLTNESA-N 0 1 580.633 6.974 50 10 biogenic KKCAMN COC(=O)C[C@H](c1cccc(OCc2ccc(C(C)C)cc2)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448915 571424568 /nfs/dbraw/zinc/42/45/68/571424568.db2.gz JRTWIOJTCRAXDT-AREMUKBSSA-N 0 1 580.633 6.974 50 10 biogenic KKCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@H](c1cccc(OCc3ccccc3)c1)CC(=O)O2 ZINC000108450718 571425268 /nfs/dbraw/zinc/42/52/68/571425268.db2.gz DDXLWXXKYIOFND-FQEVSTJZSA-N 0 1 538.508 5.302 50 10 biogenic KKCAMN COc1cccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1OCCc1ccc2c(c1)CCO2 ZINC000108451044 571425474 /nfs/dbraw/zinc/42/54/74/571425474.db2.gz COMWOMMKCWRXQY-QHCPKHFHSA-N 0 1 592.600 5.877 50 10 biogenic KKCAMN COc1cccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1OCCc1ccc2c(c1)CCO2 ZINC000108451044 571425475 /nfs/dbraw/zinc/42/54/75/571425475.db2.gz COMWOMMKCWRXQY-QHCPKHFHSA-N 0 1 592.600 5.877 50 10 biogenic KKCAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(I)c1OCc1cccc2ccccc21 ZINC000150346143 571460362 /nfs/dbraw/zinc/46/03/62/571460362.db2.gz XMQDAFJAXBMILY-UDWIEESQSA-N 0 1 689.358 7.170 50 10 KKCAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000248271053 572257650 /nfs/dbraw/zinc/25/76/50/572257650.db2.gz QDRHTFDQEJVLLQ-NGUINGDESA-N 0 1 576.737 7.016 50 10 KKCAMN COCCC[N@@H+](Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524731467 1069833888 /nfs/dbraw/zinc/83/38/88/1069833888.db2.gz ZEJLFAVILJAFJO-WXVAWEFUSA-N 0 1 525.089 5.922 50 10 KKCAMN COCCC[N@H+](Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524731467 1069833909 /nfs/dbraw/zinc/83/39/09/1069833909.db2.gz ZEJLFAVILJAFJO-WXVAWEFUSA-N 0 1 525.089 5.922 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(C)cc1 ZINC000000640743 551506866 /nfs/dbraw/zinc/50/68/66/551506866.db2.gz RGVUGEHUZAOZNY-FYJGNVAPSA-N 0 1 507.384 5.197 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000000653720 551513089 /nfs/dbraw/zinc/51/30/89/551513089.db2.gz RGRPUDDIUSWJGL-UDWIEESQSA-N 0 1 561.832 5.183 50 10 KKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000000980532 551591804 /nfs/dbraw/zinc/59/18/04/551591804.db2.gz MWIFYLCDJXIOBW-CXUHLZMHSA-N 0 1 537.819 5.817 50 10 KKCAMN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000002062243 551743431 /nfs/dbraw/zinc/74/34/31/551743431.db2.gz UPYGXEQPDWITFU-VVVCHXIZSA-N 0 1 514.283 5.984 50 10 KKCAMN COc1c(Br)cc([C@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c(O)c1Br ZINC000002068772 551746472 /nfs/dbraw/zinc/74/64/72/551746472.db2.gz XZMPRDGKFVNJBM-INIZCTEOSA-N 0 1 526.210 5.003 50 10 KKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000002076386 551750208 /nfs/dbraw/zinc/75/02/08/551750208.db2.gz CMUBDKNVLOHGSH-HAHDFKILSA-N 0 1 556.474 7.821 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000002180213 551785009 /nfs/dbraw/zinc/78/50/09/551785009.db2.gz UOFMAIMRJCGWTQ-RQZCQDPDSA-N 0 1 595.220 5.647 50 10 KKCAMN Cc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)cc1C ZINC000002403961 552112006 /nfs/dbraw/zinc/11/20/06/552112006.db2.gz AOQSMAUXOYZGLG-HZHRSRAPSA-N 0 1 502.039 6.191 50 10 KKCAMN O=C1c2cc(Br)ccc2N[C@H](c2cc(Br)cc(Br)c2O)N1c1cccc(F)c1 ZINC000002747537 552174488 /nfs/dbraw/zinc/17/44/88/552174488.db2.gz HYTLKMXQLSOABE-IBGZPJMESA-N 0 1 571.038 6.590 50 10 KKCAMN CCOc1cccc(N2C(=O)C(=Cc3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1 ZINC000002783027 552188930 /nfs/dbraw/zinc/18/89/30/552188930.db2.gz GPAKOWGPJQNVAS-WOJGMQOQSA-N 0 1 563.882 6.917 50 10 KKCAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)O[C@@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)c1 ZINC000003390299 552379209 /nfs/dbraw/zinc/37/92/09/552379209.db2.gz ZOUCXHAWVJREMO-FQEVSTJZSA-N 0 1 567.063 5.985 50 10 KKCAMN Cc1ccc(S(=O)(=O)Nc2ccc3c(c2Oc2ccc(C(C)(C)C)cc2)C(=O)c2ccccc2C3=O)cc1 ZINC000003876261 552421699 /nfs/dbraw/zinc/42/16/99/552421699.db2.gz XUSBUMPDUPZBCD-UHFFFAOYSA-N 0 1 525.626 6.661 50 10 KKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(-c3ccc(Cl)cc3Cl)c(C(F)(F)F)oc21 ZINC000004289892 552456441 /nfs/dbraw/zinc/45/64/41/552456441.db2.gz LROMKLJNYUXANC-AWEZNQCLSA-N 0 1 500.344 7.256 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000008436999 553031072 /nfs/dbraw/zinc/03/10/72/553031072.db2.gz NSHQJIARFLDTCL-MTDXEUNCSA-N 0 1 622.816 7.043 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(OCC)cc4)C3=O)c2C)cc1 ZINC000008914175 553185758 /nfs/dbraw/zinc/18/57/58/553185758.db2.gz FMVJSKWPUMDJCZ-LFVJCYFKSA-N 0 1 517.607 5.341 50 10 KKCAMN CCCCCCOc1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000009113080 553210612 /nfs/dbraw/zinc/21/06/12/553210612.db2.gz BHNHBGPJKRFPTK-XAYXJRQQSA-N 0 1 500.595 5.565 50 10 KKCAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Br)c(C(F)(F)F)oc32)C1 ZINC000009282030 553233857 /nfs/dbraw/zinc/23/38/57/553233857.db2.gz DASSVJZNQTWVBA-CYBMUJFWSA-N 0 1 512.322 6.304 50 10 KKCAMN CCCN1CCN(c2cc(Nc3cccc(C(=O)OCC)c3)c3c4c2noc4-c2ccccc2C3=O)CC1 ZINC000009780051 553307425 /nfs/dbraw/zinc/30/74/25/553307425.db2.gz KBCHXMKREJKVNK-UHFFFAOYSA-N 0 1 510.594 5.492 50 10 KKCAMN CC(C)(C)c1ccc(OCCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000013552841 553470843 /nfs/dbraw/zinc/47/08/43/553470843.db2.gz RCXNLKCNVZCBHP-NLRVBDNBSA-N 0 1 525.605 5.663 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1c(Cl)cccc1Cl ZINC000013892746 553494206 /nfs/dbraw/zinc/49/42/06/553494206.db2.gz RERDDHCUIJCRKX-BOPFTXTBSA-N 0 1 517.796 6.086 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1c(C)cccc1C ZINC000013941961 553496677 /nfs/dbraw/zinc/49/66/77/553496677.db2.gz NYYYVEMEXCWWOD-JCMHNJIXSA-N 0 1 506.986 5.275 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(OCC)cc4)C3=O)c2C)cc1 ZINC000020176495 553602497 /nfs/dbraw/zinc/60/24/97/553602497.db2.gz FMVJSKWPUMDJCZ-JLPGSUDCSA-N 0 1 517.607 5.341 50 10 KKCAMN CCCc1ccc(C(=O)[C@@H]2[C@@H](C(C)=O)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000070691552 553608139 /nfs/dbraw/zinc/60/81/39/553608139.db2.gz HCHAJGUDWIULDF-SVYISMGTSA-N 0 1 506.602 5.210 50 10 biogenic KKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)c(C(F)(F)F)oc21 ZINC000019789750 553616315 /nfs/dbraw/zinc/61/63/15/553616315.db2.gz MCBFEKSAJFSGNS-GOSISDBHSA-N 0 1 503.561 7.372 50 10 KKCAMN CCOC(=O)c1c(CN2CCCCC2)n(-c2ccccc2)c2cc(Br)c([O-])c(C[NH+](C)C)c21 ZINC000020290312 553635045 /nfs/dbraw/zinc/63/50/45/553635045.db2.gz TZBZGAIEKHHODS-UHFFFAOYSA-N 0 1 514.464 5.323 50 10 biogenic KKCAMN COc1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OCC(C)C ZINC000096116254 553726887 /nfs/dbraw/zinc/72/68/87/553726887.db2.gz PTXNBJSMSWJGIO-SFHVURJKSA-N 0 1 502.519 5.356 50 10 biogenic KKCAMN [O-]c1c(C[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(COCc2ccccc2)c2cccnc12 ZINC000027570038 553834848 /nfs/dbraw/zinc/83/48/48/553834848.db2.gz ZYYMZFFDFDEPFY-UHFFFAOYSA-N 0 1 507.556 5.998 50 10 KKCAMN CC(Nc1ccccc1-c1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000097958133 553851421 /nfs/dbraw/zinc/85/14/21/553851421.db2.gz KBRLZTKNZBVXKK-BRPDVVIDSA-N 0 1 567.139 8.498 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1cc(C)cc(C)c1 ZINC000097959015 553859740 /nfs/dbraw/zinc/85/97/40/553859740.db2.gz DAYOBYKNKWZUGS-HZHRSRAPSA-N 0 1 551.437 5.384 50 10 KKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)C1=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000097960904 553874064 /nfs/dbraw/zinc/87/40/64/553874064.db2.gz NRRYJTQVCSJVKG-JYRVWZFOSA-N 0 1 588.719 7.825 50 10 KKCAMN Cc1cc(C)cc(N2C(=O)C(=Cc3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1 ZINC000097960906 553874080 /nfs/dbraw/zinc/87/40/80/553874080.db2.gz IBCKZZFLAPKVQK-ZDLGFXPLSA-N 0 1 547.883 7.135 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000097960932 553874370 /nfs/dbraw/zinc/87/43/70/553874370.db2.gz GUPRRKBCNKQXCQ-NDENLUEZSA-N 0 1 620.310 6.441 50 10 KKCAMN COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000097960947 553874414 /nfs/dbraw/zinc/87/44/14/553874414.db2.gz BJAIPEQLEKQION-ITYLOYPMSA-N 0 1 610.761 6.967 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000097965380 553904168 /nfs/dbraw/zinc/90/41/68/553904168.db2.gz SYLPYEKJSSSLQI-CPNJWEJPSA-N 0 1 521.429 6.621 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000097968119 553927985 /nfs/dbraw/zinc/92/79/85/553927985.db2.gz SYLPYEKJSSSLQI-UYRXBGFRSA-N 0 1 521.429 6.621 50 10 KKCAMN CC1=NN(c2ccc(C)c(C)c2)C(=O)C1=CNc1ccc(Cl)c(NC=C2C(=O)N(c3ccc(C)c(C)c3)N=C2C)c1 ZINC000033354767 553931277 /nfs/dbraw/zinc/93/12/77/553931277.db2.gz WLCRZVDRPJDLCN-KYGWZODQSA-N 0 1 567.093 7.011 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)[C@H](C)[C@@H]3Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000033357412 553948095 /nfs/dbraw/zinc/94/80/95/553948095.db2.gz ZGWZPUIXNXOHQR-DJUQAAIZSA-N 0 1 593.193 5.321 50 10 KKCAMN COc1cc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc(OC)c1OC ZINC000097970988 553960246 /nfs/dbraw/zinc/96/02/46/553960246.db2.gz GHCHAANXZNLLGE-XKZIYDEJSA-N 0 1 527.602 5.387 50 10 KKCAMN Cc1ccc(OCCCOc2ccc(Br)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000033717576 553970142 /nfs/dbraw/zinc/97/01/42/553970142.db2.gz BCMDOCDXSOVGHT-QJOMJCCJSA-N 0 1 507.384 5.067 50 10 KKCAMN O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000034683907 553986416 /nfs/dbraw/zinc/98/64/16/553986416.db2.gz MNKCVBUYJADWGR-UHFFFAOYSA-N 0 1 509.430 5.698 50 10 KKCAMN CC(Nc1ccc(Oc2ccc(Br)cc2)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100095086 554215576 /nfs/dbraw/zinc/21/55/76/554215576.db2.gz JEUSYUNDKOOLSV-STZFKDTASA-N 0 1 573.394 7.502 50 10 KKCAMN CCOc1ccc(NN=C2C=CC(=O)C(C=C3C(=O)NN(c4ccc(Br)cc4)C3=O)=C2)cc1 ZINC000100164976 554236222 /nfs/dbraw/zinc/23/62/22/554236222.db2.gz ALQQLUVFQVXWIM-PZXAXVQPSA-N 0 1 507.344 5.430 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000100224129 554252377 /nfs/dbraw/zinc/25/23/77/554252377.db2.gz BDEYDYFQHWWUAC-HMAPJEAMSA-N 0 1 557.563 5.160 50 10 KKCAMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000100320989 554305130 /nfs/dbraw/zinc/30/51/30/554305130.db2.gz IZAMBKTYHGCELT-QRVIBDJDSA-N 0 1 607.913 6.675 50 10 KKCAMN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000100642352 554436677 /nfs/dbraw/zinc/43/66/77/554436677.db2.gz CTUUNUZDDDOSEO-OKRIBVEGSA-N 0 1 581.767 5.288 50 10 KKCAMN CCc1cc2c(=O)c(Oc3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c([C@@H](c2ccccc2)[NH+]2CCN(C)CC2)c1[O-] ZINC000100739614 554462557 /nfs/dbraw/zinc/46/25/57/554462557.db2.gz KFNLGKMSQIAJTK-HHHXNRCGSA-N 0 1 604.629 6.395 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000101729534 554833157 /nfs/dbraw/zinc/83/31/57/554833157.db2.gz XLLQULAJRLBTRV-CFRMEGHHSA-N 0 1 557.563 5.160 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)CN3C(=O)/C(=C\c4ccccc4Cl)Sc4ccccc43)CC2)cc1 ZINC000102774425 555062437 /nfs/dbraw/zinc/06/24/37/555062437.db2.gz TYGIRIMODIKPSB-XHLNEMQHSA-N 0 1 577.150 5.157 50 10 KKCAMN Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c(c2Cl)C(=O)c2ccccc2C3=O)ccc1F ZINC000102934749 555161820 /nfs/dbraw/zinc/16/18/20/555161820.db2.gz DLKYQSBZCYZGPR-UHFFFAOYSA-N 0 1 548.979 5.616 50 10 KKCAMN O=C(Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000102938358 555166713 /nfs/dbraw/zinc/16/67/13/555166713.db2.gz KOPFPAGZRCPIJR-UHFFFAOYSA-N 0 1 551.407 5.822 50 10 KKCAMN COC(=O)C[C@H](c1ccc(OC)c(COc2ccc(NC(C)=O)cc2)c1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448595 571424394 /nfs/dbraw/zinc/42/43/94/571424394.db2.gz QERXKFBGWYSRRI-RUZDIDTESA-N 0 1 625.630 5.818 50 10 biogenic KKCAMN CC(C)c1ccc(COc2cccc([C@@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c2)cc1 ZINC000108449458 571424720 /nfs/dbraw/zinc/42/47/20/571424720.db2.gz WGBFTHIHHTWIGP-QHCPKHFHSA-N 0 1 580.589 6.426 50 10 biogenic KKCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)c(O)c([O-])c1-3)[C@@H](c1cccc(OCc3ccccc3)c1)CC(=O)O2 ZINC000108450721 571425301 /nfs/dbraw/zinc/42/53/01/571425301.db2.gz DDXLWXXKYIOFND-HXUWFJFHSA-N 0 1 538.508 5.302 50 10 biogenic KKCAMN CC(C)(C)C1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cc(I)cc(I)c1O ZINC000150347399 571460752 /nfs/dbraw/zinc/46/07/52/571460752.db2.gz HVMKEYUPSKZCHN-DHDCSXOGSA-N 0 1 617.181 5.342 50 10 KKCAMN COc1cc(NC(=O)C(=NNc2ccc(-c3ccc(N=N[C@@H](C(C)=O)C(=O)Nc4ccc(C)cc4C)c(Cl)c3)cc2Cl)C(C)=O)c(OC)cc1Cl ZINC000150348890 571461335 /nfs/dbraw/zinc/46/13/35/571461335.db2.gz CTCGHGAGCLXAHB-ZWRBXZCYSA-N 0 1 752.055 9.308 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000150414976 571485323 /nfs/dbraw/zinc/48/53/23/571485323.db2.gz QHVPLSDOHWZAMO-UQQQWYQISA-N 0 1 673.658 7.189 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccc(CC(C)C)cc2)[C@]12c1ccccc1NC2=O ZINC000248236520 572256772 /nfs/dbraw/zinc/25/67/72/572256772.db2.gz CGJABXVVKWJQAL-NDCXGSNASA-N 0 1 562.710 6.482 50 10 KKCAMN COCCC[N@@H+](Cc1c([O-])ccc2cc(-c3ccc(OC)cc3)c(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729177 1069826146 /nfs/dbraw/zinc/82/61/46/1069826146.db2.gz HFUAJEGNPHFTCI-RBJSKKJNSA-N 0 1 520.670 5.277 50 10 KKCAMN COCCC[N@H+](Cc1c([O-])ccc2cc(-c3ccc(OC)cc3)c(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729177 1069826180 /nfs/dbraw/zinc/82/61/80/1069826180.db2.gz HFUAJEGNPHFTCI-RBJSKKJNSA-N 0 1 520.670 5.277 50 10 KKCAMN O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21)N1CCCc2ccccc21 ZINC000000638074 551506634 /nfs/dbraw/zinc/50/66/34/551506634.db2.gz LUBHLMVASRBAFJ-LFVJCYFKSA-N 0 1 599.510 6.055 50 10 KKCAMN Cc1ccc(N2C(=O)/C(=C/c3cn(CCOc4cc(C)ccc4C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000000666861 551517559 /nfs/dbraw/zinc/51/75/59/551517559.db2.gz WPKQIRILNQJEAM-KOEQRZSOSA-N 0 1 509.631 5.477 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000000706672 551531315 /nfs/dbraw/zinc/53/13/15/551531315.db2.gz JKQMMYYRMDMTBH-GZTJUZNOSA-N 0 1 504.826 5.886 50 10 KKCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000001321853 551641735 /nfs/dbraw/zinc/64/17/35/551641735.db2.gz ANEDEYRFKWSMFE-BUVRLJJBSA-N 0 1 515.591 5.213 50 10 KKCAMN C[C@@H]1CCC[N@@H+](Cc2c([O-])ccc3cc(-c4nc(-c5ccc(Br)cc5)cs4)c(=O)oc32)C1 ZINC000001749469 551692795 /nfs/dbraw/zinc/69/27/95/551692795.db2.gz GKKSJWFCYXMJII-OAHLLOKOSA-N 0 1 511.441 6.284 50 10 KKCAMN CCCCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)C(=O)NC2=S)cc1 ZINC000002064163 551744972 /nfs/dbraw/zinc/74/49/72/551744972.db2.gz UWRULLMWFOFRCX-KOEQRZSOSA-N 0 1 515.635 5.055 50 10 KKCAMN CC[C@@H](C)c1ccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000002224359 552081721 /nfs/dbraw/zinc/08/17/21/552081721.db2.gz FPUMANRDASMRCJ-CPYLFOLBSA-N 0 1 525.605 5.879 50 10 KKCAMN COc1ccccc1N1C(=O)C(=Cc2ccc3c(c2)CCN3Cc2ccccc2Cl)C(=O)NC1=S ZINC000002376741 552106729 /nfs/dbraw/zinc/10/67/29/552106729.db2.gz RUKMKTKJGVYWCZ-HMMYKYKNSA-N 0 1 504.011 5.583 50 10 KKCAMN COc1ccccc1OCCn1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 ZINC000004083455 552434164 /nfs/dbraw/zinc/43/41/64/552434164.db2.gz YLBKPYIKMXAMIE-XSFVSMFZSA-N 0 1 566.466 6.707 50 10 KKCAMN Cc1cccc(N2C(=O)/C(=C/c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000006442284 552584789 /nfs/dbraw/zinc/58/47/89/552584789.db2.gz ZRQWNEZRIPRGJE-ZTKZIYFRSA-N 0 1 584.657 6.859 50 10 KKCAMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000008451410 553061027 /nfs/dbraw/zinc/06/10/27/553061027.db2.gz MCWLUIONENXHTF-ZXVVBBHZSA-N 0 1 624.788 6.517 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000008495310 553077045 /nfs/dbraw/zinc/07/70/45/553077045.db2.gz SYWBBXHMHSILFD-XMHGGMMESA-N 0 1 513.377 5.311 50 10 KKCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(C)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000009013321 553200169 /nfs/dbraw/zinc/20/01/69/553200169.db2.gz PYLCZIIHPZAMJT-BUVRLJJBSA-N 0 1 515.591 5.213 50 10 KKCAMN COc1ccc(-c2coc3c(C[N@H+]4CCC[C@H](C)C4)c([O-])c(C[NH+]4CCC[C@H](C)C4)c([O-])c3c2=O)cc1 ZINC000009034086 553201857 /nfs/dbraw/zinc/20/18/57/553201857.db2.gz IYQRVYVIOCGQIP-PMACEKPBSA-N 0 1 506.643 5.344 50 10 biogenic KKCAMN COc1ccc(-c2coc3c(C[NH+]4CCC[C@H](C)C4)c([O-])c(C[N@@H+]4CCC[C@H](C)C4)c([O-])c3c2=O)cc1 ZINC000009034086 553201860 /nfs/dbraw/zinc/20/18/60/553201860.db2.gz IYQRVYVIOCGQIP-PMACEKPBSA-N 0 1 506.643 5.344 50 10 biogenic KKCAMN COc1ccc(-c2coc3c(C[NH+]4CCC[C@H](C)C4)c([O-])c(C[N@H+]4CCC[C@H](C)C4)c([O-])c3c2=O)cc1 ZINC000009034086 553201863 /nfs/dbraw/zinc/20/18/63/553201863.db2.gz IYQRVYVIOCGQIP-PMACEKPBSA-N 0 1 506.643 5.344 50 10 biogenic KKCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000009308423 553237524 /nfs/dbraw/zinc/23/75/24/553237524.db2.gz BIIKGRFHPUINIU-LPYMAVHISA-N 0 1 516.420 5.695 50 10 KKCAMN CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4cccc(C(=O)OC)c4)c3C)C(=O)NC2=S)cc1 ZINC000009309988 553238595 /nfs/dbraw/zinc/23/85/95/553238595.db2.gz UWRULLMWFOFRCX-UQQQWYQISA-N 0 1 515.635 5.055 50 10 KKCAMN CCCCc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc(F)cc4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000009311131 553239334 /nfs/dbraw/zinc/23/93/34/553239334.db2.gz ZTFWCVBXPODCQB-ONUIUJJFSA-N 0 1 511.622 6.003 50 10 KKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCCC2)cc1OC ZINC000085879975 553689949 /nfs/dbraw/zinc/68/99/49/553689949.db2.gz QWKROLITLGLOSC-UHFFFAOYSA-N 0 1 503.555 6.005 50 10 biogenic KKCAMN COc1cc(C(=O)OCCN2CCN([C@H]3Cc4ccc(F)cc4Sc4ccc(C(C)C)cc43)CC2)cc(OC)c1OC ZINC000022789216 553750186 /nfs/dbraw/zinc/75/01/86/553750186.db2.gz NITNSLFCGVGFSH-MHZLTWQESA-N 0 1 594.749 6.198 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C(C)(C)c2ccccc2)cc1 ZINC000097957742 553848172 /nfs/dbraw/zinc/84/81/72/553848172.db2.gz AMLQWTVCKTWLED-QUPMIFSKSA-N 0 1 548.639 5.940 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000097960877 553874044 /nfs/dbraw/zinc/87/40/44/553874044.db2.gz VXBVQNNAQDGBLW-UDWIEESQSA-N 0 1 559.283 6.291 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(I)c1OCc1ccc(Cl)cc1 ZINC000097961007 553874822 /nfs/dbraw/zinc/87/48/22/553874822.db2.gz RCGLCULGAFRERO-VXLYETTFSA-N 0 1 697.776 7.275 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000097962817 553885627 /nfs/dbraw/zinc/88/56/27/553885627.db2.gz XWTCDGOJKKLJJH-STZFKDTASA-N 0 1 561.432 6.992 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000033353828 553927246 /nfs/dbraw/zinc/92/72/46/553927246.db2.gz LIUBJPPODZHROU-GRSHGNNSSA-N 0 1 524.396 5.257 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000097968472 553932823 /nfs/dbraw/zinc/93/28/23/553932823.db2.gz VPWZUTYTECVDTN-MOSHPQCFSA-N 0 1 527.387 5.370 50 10 KKCAMN O=C1C(=Cc2cc(I)c(O)c(I)c2)C(=O)N(c2ccccc2)C(=S)N1c1ccccc1 ZINC000033355307 553934127 /nfs/dbraw/zinc/93/41/27/553934127.db2.gz JCTWIYPFMBSMSS-UHFFFAOYSA-N 0 1 652.251 5.350 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000097968775 553934298 /nfs/dbraw/zinc/93/42/98/553934298.db2.gz FHGMYEORJUCDBP-HMAPJEAMSA-N 0 1 523.456 5.594 50 10 KKCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@H](c1ccccc1OCCc1ccc3c(c1)CCO3)CC(=O)O2 ZINC000097972014 553964911 /nfs/dbraw/zinc/96/49/11/553964911.db2.gz WMDPLOVVUAEOTM-QFIPXVFZSA-N 0 1 578.573 5.574 50 10 biogenic KKCAMN CC(C)(c1ccccc1)c1ccc(OCCOc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000033631623 553965266 /nfs/dbraw/zinc/96/52/66/553965266.db2.gz SAMUSCRIVAAVJL-WMMMYUQOSA-N 0 1 518.613 5.932 50 10 KKCAMN COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000097972091 553966052 /nfs/dbraw/zinc/96/60/52/553966052.db2.gz VRLHVIVWHPGRFY-JOCHJYFZSA-N 0 1 596.588 5.657 50 10 biogenic KKCAMN CCOC(=O)c1c(C[NH+]2CCCC2)n(C2CCCCC2)c2cc(Br)c([O-])c(CN3CCOCC3)c21 ZINC000098007015 554062329 /nfs/dbraw/zinc/06/23/29/554062329.db2.gz FXWRYSSWPBKICC-UHFFFAOYSA-N 0 1 548.522 5.219 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000100115273 554222905 /nfs/dbraw/zinc/22/29/05/554222905.db2.gz RRINTRFKKZKOGX-VCHYOVAHSA-N 0 1 610.304 6.145 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100115208 554222915 /nfs/dbraw/zinc/22/29/15/554222915.db2.gz QFTDIZPYNIANIP-MYYYXRDXSA-N 0 1 542.573 5.409 50 10 KKCAMN Cc1ccc(S(=O)(=O)Nc2cc(C(C(=O)OC(C)C)C(=O)C(F)(F)F)c(O)c3ccccc23)c(C)c1 ZINC000100114874 554222927 /nfs/dbraw/zinc/22/29/27/554222927.db2.gz PCUXRYBEDDOJPT-NRFANRHFSA-N 0 1 523.529 5.130 50 10 KKCAMN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000100195884 554246127 /nfs/dbraw/zinc/24/61/27/554246127.db2.gz AHACFJUIYPHWAF-DFKUXCBWSA-N 0 1 583.713 7.350 50 10 KKCAMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)c1C)CCCC2 ZINC000100209924 554248959 /nfs/dbraw/zinc/24/89/59/554248959.db2.gz OCDFFAXRORGSFS-QNGOZBTKSA-N 0 1 533.675 5.042 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(/C=C4/Oc5ccccc5N(Cc5cccc(C)c5)C4=O)cc3)CC2)cc1 ZINC000101506649 554790700 /nfs/dbraw/zinc/79/07/00/554790700.db2.gz SDMJWVZBKJYYIN-LZBRRTOVSA-N 0 1 616.762 5.912 50 10 KKCAMN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000102480859 554937029 /nfs/dbraw/zinc/93/70/29/554937029.db2.gz VJWPAUHYKSNSLW-XAEBNIDXSA-N 0 1 550.611 5.012 50 10 KKCAMN O=C(Nc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000102938600 555167147 /nfs/dbraw/zinc/16/71/47/555167147.db2.gz JNMPQYIGLRPRHA-UHFFFAOYSA-N 0 1 595.858 5.931 50 10 KKCAMN O=C(Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000102938604 555167200 /nfs/dbraw/zinc/16/72/00/555167200.db2.gz JAGQMCNLSYZISA-UHFFFAOYSA-N 0 1 561.413 5.278 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1ccc(C)cc1 ZINC000103680133 555462281 /nfs/dbraw/zinc/46/22/81/555462281.db2.gz FXHCSWQCKQJZTL-KQWNVCNZSA-N 0 1 551.437 5.466 50 10 KKCAMN CCOC(=O)C(=C(C)Nc1ccc(OC)cc1)c1c(O)cc(Br)c(O)c1Br ZINC000105021119 571389466 /nfs/dbraw/zinc/38/94/66/571389466.db2.gz LOOKTEZPEVWMBS-XNTDXEJSSA-N 0 1 501.171 5.038 50 10 KKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000137910334 571450856 /nfs/dbraw/zinc/45/08/56/571450856.db2.gz HLDCJIGZVGRJGB-SONWIMMPSA-N 0 1 505.357 5.903 50 10 KKCAMN C/C(=C1/C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000150346688 571460537 /nfs/dbraw/zinc/46/05/37/571460537.db2.gz KRABHNCWHQDOBL-IVQJCJPDSA-N 0 1 650.273 8.126 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Br)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000150410614 571483064 /nfs/dbraw/zinc/48/30/64/571483064.db2.gz OXAHTJDRXGEGIB-MWAVMZGNSA-N 0 1 676.592 7.582 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000230013060 572178290 /nfs/dbraw/zinc/17/82/90/572178290.db2.gz OSFLPLNXNKVLGX-GZNUUUAQSA-N 0 1 541.047 5.937 50 10 KKCAMN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4Cc4ccc(Cl)cc4)C3)CC2)cc1 ZINC000248137398 572255148 /nfs/dbraw/zinc/25/51/48/572255148.db2.gz NTUINQMCJJQGSP-RUZDIDTESA-N 0 1 558.126 5.307 50 10 KKCAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000248257506 572257356 /nfs/dbraw/zinc/25/73/56/572257356.db2.gz LGZVEMJNEFQJAH-BCHNEZAYSA-N 0 1 548.683 6.236 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 ZINC000248293498 572257850 /nfs/dbraw/zinc/25/78/50/572257850.db2.gz VJWPAUHYKSNSLW-YENKVUBUSA-N 0 1 550.611 5.012 50 10 KKCAMN CCn1c(O)c(C=C/C=C2\CCC(C=CC=C3C(=O)N(CC)C(=S)N(CC)C3=O)=C2c2ccccc2)c(=O)n(CC)c1=S ZINC000685944552 1070943827 /nfs/dbraw/zinc/94/38/27/1070943827.db2.gz LVSMIGDAEWNIAE-ARYUAFDSSA-N 0 1 616.809 5.790 50 10 KKCAMN Cc1nn(C)c(COc2ccc(N3CCN(S(=O)(=O)N(C)C)CC3)cc2)c1-c1cccc2c(CCCOc3cccc4ccccc43)c(C)n(CCN3CCOCC3)c21 ZINC001501061112 1072922816 /nfs/dbraw/zinc/92/28/16/1072922816.db2.gz OYLNBKAUYSJSCW-UHFFFAOYSA-N 0 1 820.073 6.663 50 10 KKCAMN CC(C)(C)c1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000001084443 551606245 /nfs/dbraw/zinc/60/62/45/551606245.db2.gz JDRVQFKMXKBPBT-KOEQRZSOSA-N 0 1 511.578 5.273 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000001279398 551636341 /nfs/dbraw/zinc/63/63/41/551636341.db2.gz WBBUNSPTKLUWPN-JAIQZWGSSA-N 0 1 503.933 6.009 50 10 KKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2cc(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)oc21 ZINC000001803302 551704150 /nfs/dbraw/zinc/70/41/50/551704150.db2.gz LDLXSQIUTDJOKC-HNNXBMFYSA-N 0 1 511.441 6.426 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2CCC[C@@H](C)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000001816793 551707896 /nfs/dbraw/zinc/70/78/96/551707896.db2.gz QWSMCSSCNFKCRH-MRXNPFEDSA-N 0 1 506.624 5.746 50 10 KKCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000001829932 551710987 /nfs/dbraw/zinc/71/09/87/551710987.db2.gz VEWDSCCFHHFZMY-OEAKJJBVSA-N 0 1 519.554 5.043 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c(=O)c1-c1nc2ccccc2s1 ZINC000002106821 551764527 /nfs/dbraw/zinc/76/45/27/551764527.db2.gz FTVBXNCALNPINF-GTJUCTONSA-N 0 1 560.716 6.915 50 10 biogenic KKCAMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 ZINC000002142371 551774998 /nfs/dbraw/zinc/77/49/98/551774998.db2.gz FLCLGJSGYUWGQZ-RVDMUPIBSA-N 0 1 521.223 5.378 50 10 KKCAMN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1C ZINC000002156530 551779696 /nfs/dbraw/zinc/77/96/96/551779696.db2.gz LLOPNRBMJWBRIQ-LICLKQGHSA-N 0 1 547.883 6.295 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000002180221 551785015 /nfs/dbraw/zinc/78/50/15/551785015.db2.gz UTHHVNUBDRWZCW-VCHYOVAHSA-N 0 1 562.247 6.195 50 10 KKCAMN Cc1ccc(N2C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000002262613 552085001 /nfs/dbraw/zinc/08/50/01/552085001.db2.gz BTZRAJSXKAJEMU-XHLNEMQHSA-N 0 1 539.660 7.791 50 10 KKCAMN COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)c2cc(C)n(-c3ccc(Br)cc3)c2C)n1 ZINC000002626852 552138957 /nfs/dbraw/zinc/13/89/57/552138957.db2.gz OSYYEJQKAZZNOP-UHFFFAOYSA-N 0 1 531.863 6.279 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000002915891 552217016 /nfs/dbraw/zinc/21/70/16/552217016.db2.gz QKDJDWKKKRJTME-UDWIEESQSA-N 0 1 514.832 5.341 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000002918873 552218934 /nfs/dbraw/zinc/21/89/34/552218934.db2.gz AMIGUFSSUWOTIB-VCHYOVAHSA-N 0 1 549.277 5.995 50 10 KKCAMN CCCCCCc1cc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc2c(C[N@@H+](CC)CCCC)c1[O-] ZINC000004289784 552456418 /nfs/dbraw/zinc/45/64/18/552456418.db2.gz FWSIUSPULGLNKG-UHFFFAOYSA-N 0 1 547.658 8.671 50 10 KKCAMN Cc1cc(C)c(S(=O)(=O)Nc2cc(C(C(=O)OC(C)C)C(=O)C(F)(F)F)c(O)c3ccccc23)c(C)c1 ZINC000006088820 552530727 /nfs/dbraw/zinc/53/07/27/552530727.db2.gz LATCUVNGESRTJD-OAQYLSRUSA-N 0 1 537.556 5.438 50 10 KKCAMN CCOC(=O)c1cc(N2CCN([C@@H]3Cc4ccccc4Sc4ccc(SC)cc43)CC2)c2c(Cl)cc(Cl)cc2n1 ZINC000008385776 552991328 /nfs/dbraw/zinc/99/13/28/552991328.db2.gz ZFXNOKRUMIVUTC-AREMUKBSSA-N 0 1 610.632 8.011 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000008438380 553034317 /nfs/dbraw/zinc/03/43/17/553034317.db2.gz JNWVURHCDKFJKD-OGLMXYFKSA-N 0 1 600.538 6.575 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000008451453 553061149 /nfs/dbraw/zinc/06/11/49/553061149.db2.gz QKSFGOCBDDAEHO-NLRVBDNBSA-N 0 1 608.789 6.735 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1ccc(C)cc1 ZINC000008453134 553065801 /nfs/dbraw/zinc/06/58/01/553065801.db2.gz LWSPLFIKYFOVFL-PXLXIMEGSA-N 0 1 537.410 5.075 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1cc(C)ccc1C ZINC000008495268 553077095 /nfs/dbraw/zinc/07/70/95/553077095.db2.gz CBZFAGURPBJCSQ-PXLXIMEGSA-N 0 1 506.986 5.275 50 10 KKCAMN COc1ccc(OC)c(N2C(=O)C(=Cc3ccc4c(c3)CCCN4Cc3ccccc3)C(=O)NC2=S)c1 ZINC000009089919 553209337 /nfs/dbraw/zinc/20/93/37/553209337.db2.gz MVVDWLOIPVMOAL-XQNSMLJCSA-N 0 1 513.619 5.328 50 10 KKCAMN O=C(CSc1nc(-c2ccco2)nc2cc(=O)[nH]n21)N1c2ccccc2Sc2ccc(Cl)cc21 ZINC000009641388 553293049 /nfs/dbraw/zinc/29/30/49/553293049.db2.gz SBAFXSBPUFVZEX-UHFFFAOYSA-N 0 1 507.984 5.253 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000013546339 553469953 /nfs/dbraw/zinc/46/99/53/553469953.db2.gz NQISIONSFZBFDV-ONUIUJJFSA-N 0 1 512.034 6.246 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCCOc1ccccc1Cl ZINC000013548475 553469985 /nfs/dbraw/zinc/46/99/85/553469985.db2.gz NPSHRZSLZGVCTJ-XMHGGMMESA-N 0 1 510.930 5.292 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000013687409 553485480 /nfs/dbraw/zinc/48/54/80/553485480.db2.gz BZTGADULHBARHX-KQWNVCNZSA-N 0 1 518.566 5.546 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc([C@@H](C)CC)cc1 ZINC000013899212 553495175 /nfs/dbraw/zinc/49/51/75/553495175.db2.gz YPRCBIUFSUOCLR-SWVLWACCSA-N 0 1 500.595 5.518 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc(C)c1C ZINC000020418002 553647718 /nfs/dbraw/zinc/64/77/18/553647718.db2.gz RSIHOHVOKIKEIK-FYJGNVAPSA-N 0 1 508.441 6.145 50 10 KKCAMN COc1ccc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCC2)c(OC)c1OC ZINC000085876285 553688808 /nfs/dbraw/zinc/68/88/08/553688808.db2.gz PQLWRXPBWPNCPF-UHFFFAOYSA-N 0 1 505.527 5.233 50 10 biogenic KKCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCCC2)cc(OC)c1O ZINC000085879574 553689725 /nfs/dbraw/zinc/68/97/25/553689725.db2.gz VLURQUCBMQCBAW-UHFFFAOYSA-N 0 1 505.527 5.320 50 10 biogenic KKCAMN COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 ZINC000096021972 553718664 /nfs/dbraw/zinc/71/86/64/553718664.db2.gz NCRIRHVCZHTWLA-UHFFFAOYSA-N 0 1 565.633 5.510 50 10 KKCAMN COC(=O)C[C@H](c1ccc(OC)c2ccccc21)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000096222709 553731316 /nfs/dbraw/zinc/73/13/16/553731316.db2.gz PMCORULCYIDXNX-HXUWFJFHSA-N 0 1 512.514 5.434 50 10 biogenic KKCAMN Cc1cc(OCCn2cc(C=C3C(=O)NC(=S)N(c4ccccc4)C3=O)c3ccccc32)ccc1Cl ZINC000097441954 553758706 /nfs/dbraw/zinc/75/87/06/553758706.db2.gz GZNOKQHNPOFMBT-KQWNVCNZSA-N 0 1 516.022 6.354 50 10 KKCAMN O=S(=O)([N-]c1ccccn1)c1ccc(/N=N/c2ccc(NCCC[NH+]3CCOCC3)c3ccccc23)cc1 ZINC000097943420 553768574 /nfs/dbraw/zinc/76/85/74/553768574.db2.gz QZAYAWBNHDWLNL-QNEJGDQOSA-N 0 1 530.654 5.585 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000097944486 553769836 /nfs/dbraw/zinc/76/98/36/553769836.db2.gz LVDXAIACBKRWAB-UDWIEESQSA-N 0 1 541.398 5.847 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000097960902 553874055 /nfs/dbraw/zinc/87/40/55/553874055.db2.gz NJHUXNZXWFTXDA-ONUIUJJFSA-N 0 1 687.685 8.338 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000097960917 553874069 /nfs/dbraw/zinc/87/40/69/553874069.db2.gz CHUJNLBGZLIZDU-IMRQLAEWSA-N 0 1 608.789 7.575 50 10 KKCAMN Cc1ccc(N2C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc(Br)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1C ZINC000097961009 553874779 /nfs/dbraw/zinc/87/47/79/553874779.db2.gz TXNVCDCWNZCCCX-TWKHWXDSSA-N 0 1 632.583 8.862 50 10 KKCAMN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OCC(=O)Nc1cc(C)c(C)cc1Br ZINC000097961963 553881968 /nfs/dbraw/zinc/88/19/68/553881968.db2.gz LIAWWCHCWINVQV-UUYOSTAYSA-N 0 1 725.506 6.852 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)ccc1OCCSc1cccc2ccccc21 ZINC000100229427 554255014 /nfs/dbraw/zinc/25/50/14/554255014.db2.gz PFMMORWWQIHYOM-XHPQRKPJSA-N 0 1 584.719 6.250 50 10 KKCAMN C[N@@H+](Cc1ccccc1)Cc1c([O-])ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc21 ZINC000054209006 554349044 /nfs/dbraw/zinc/34/90/44/554349044.db2.gz YOHVQBHYPXMBRM-UHFFFAOYSA-N 0 1 505.492 7.095 50 10 KKCAMN COc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1 ZINC000101058190 554569940 /nfs/dbraw/zinc/56/99/40/554569940.db2.gz IEKQKZZGXFDWAA-XAEBNIDXSA-N 0 1 536.628 5.292 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 ZINC000101451507 554775700 /nfs/dbraw/zinc/77/57/00/554775700.db2.gz UTHHVNUBDRWZCW-ZDLGFXPLSA-N 0 1 562.247 6.195 50 10 KKCAMN CCc1ccc(/C=C2\Sc3ccccc3N(CC(=O)NCCCN3CCN(c4ccc(OC)cc4)CC3)C2=O)cc1 ZINC000101630098 554811493 /nfs/dbraw/zinc/81/14/93/554811493.db2.gz DLUXBIWFXCOOCL-SXBRIOAWSA-N 0 1 570.759 5.066 50 10 KKCAMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)c1C)CCCC2 ZINC000101729291 554833153 /nfs/dbraw/zinc/83/31/53/554833153.db2.gz KDRIZBKXQTTYAA-KGENOOAVSA-N 0 1 551.665 5.182 50 10 KKCAMN CCCOc1c(Br)c(Br)c(/C=C2/C(=O)NC(=O)N(CCc3ccccc3)C2=O)cc1OCC ZINC000103253523 555344696 /nfs/dbraw/zinc/34/46/96/555344696.db2.gz ASOCINOJQCHHRP-LGMDPLHJSA-N 0 1 580.273 5.104 50 10 KKCAMN COC(=O)C[C@H](c1ccc(OCCc2ccccc2)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108450545 571425316 /nfs/dbraw/zinc/42/53/16/571425316.db2.gz RSQLULNQZUJINX-XMMPIXPASA-N 0 1 552.579 5.893 50 10 biogenic KKCAMN COc1cc(NC(=O)C(=NNc2ccc(-c3ccc(N=N[C@@H](C(C)=O)C(=O)Nc4ccc(C)cc4C)c(Cl)c3)cc2Cl)C(C)=O)c(OC)cc1Cl ZINC000150348893 571461325 /nfs/dbraw/zinc/46/13/25/571461325.db2.gz CTCGHGAGCLXAHB-BPKFHIIDSA-N 0 1 752.055 9.308 50 10 KKCAMN CCCCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000229934718 572171102 /nfs/dbraw/zinc/17/11/02/572171102.db2.gz QDRHTFDQEJVLLQ-GLZHTZPGSA-N 0 1 576.737 7.016 50 10 KKCAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@H]3[C@@]23C(=O)Nc2ccccc23)c1 ZINC000230012717 572178453 /nfs/dbraw/zinc/17/84/53/572178453.db2.gz AQRVVDAYHJDXDL-JDONGJSOSA-N 0 1 536.628 5.292 50 10 KKCAMN COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@H+](C)[C@H]4CC(C)C)c1O)[C@H](CC(C)C)N(C)CC2 ZINC000245239408 572213098 /nfs/dbraw/zinc/21/30/98/572213098.db2.gz IPLGVBFSYLBXEF-VXKWHMMOSA-N 0 1 512.691 6.058 50 10 KKCAMN COc1cc2c(c(Oc3c([O-])c4c(cc3OC)CC[N@@H+](C)[C@H]4CC(C)C)c1O)[C@H](CC(C)C)N(C)CC2 ZINC000245239408 572213102 /nfs/dbraw/zinc/21/31/02/572213102.db2.gz IPLGVBFSYLBXEF-VXKWHMMOSA-N 0 1 512.691 6.058 50 10 KKCAMN COc1cccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23C(=O)Nc2ccccc23)c1 ZINC000248231801 572256752 /nfs/dbraw/zinc/25/67/52/572256752.db2.gz AQRVVDAYHJDXDL-CPWWYQHDSA-N 0 1 536.628 5.292 50 10 KKCAMN COc1ccc(N2C(=O)C(=Cc3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C(=O)NC2=S)cc1 ZINC000002873546 1069839991 /nfs/dbraw/zinc/83/99/91/1069839991.db2.gz OFHWVZMLWAPKIE-GZTJUZNOSA-N 0 1 528.340 5.298 50 10 KKCAMN Cc1ccc(N=Nc2cc(C)ccc2NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000254343070 1072848079 /nfs/dbraw/zinc/84/80/79/1072848079.db2.gz YYPVRXXQQSAAIS-UHFFFAOYSA-N 0 1 502.571 6.911 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000002056163 551739899 /nfs/dbraw/zinc/73/98/99/551739899.db2.gz IDIPDCNNOCODAY-LPYMAVHISA-N 0 1 569.468 6.296 50 10 KKCAMN Cc1cc(OCCn2cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c3ccccc32)ccc1Cl ZINC000002126252 551772029 /nfs/dbraw/zinc/77/20/29/551772029.db2.gz GZNOKQHNPOFMBT-XQNSMLJCSA-N 0 1 516.022 5.513 50 10 KKCAMN Cc1cccc(OCCCOc2ccc(Br)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000002180295 551784988 /nfs/dbraw/zinc/78/49/88/551784988.db2.gz YCBYLNCJPHEMRK-HAVVHWLPSA-N 0 1 507.384 5.067 50 10 KKCAMN Cc1ccnc(NS(=O)(=O)c2ccc(-n3c(-c4ccc(Br)cc4)cc4c3CC(C)(C)CC4=O)cc2)n1 ZINC000002561816 552129740 /nfs/dbraw/zinc/12/97/40/552129740.db2.gz XDRRQJSVZJVRGF-UHFFFAOYSA-N 0 1 565.493 5.961 50 10 KKCAMN CN(C)c1ccc([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCN(c3ccccn3)CC2)cc1 ZINC000002667840 552151965 /nfs/dbraw/zinc/15/19/65/552151965.db2.gz QJUUPWYDHZUNDY-LJAQVGFWSA-N 0 1 500.731 6.360 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000002915712 552216690 /nfs/dbraw/zinc/21/66/90/552216690.db2.gz QNXDYXYLPFHFIO-UDWIEESQSA-N 0 1 575.859 5.492 50 10 KKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc21 ZINC000003958521 552423883 /nfs/dbraw/zinc/42/38/83/552423883.db2.gz BOUQARGBDDYTSO-AWEZNQCLSA-N 0 1 526.349 6.837 50 10 KKCAMN C[C@@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc21 ZINC000004290041 552456427 /nfs/dbraw/zinc/45/64/27/552456427.db2.gz ZHAOVJFAUYUESK-GOSISDBHSA-N 0 1 509.524 7.351 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000008451438 553061089 /nfs/dbraw/zinc/06/10/89/553061089.db2.gz CHUJNLBGZLIZDU-OVVQPSECSA-N 0 1 608.789 6.735 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1ccc(Cl)cc1 ZINC000008453129 553065742 /nfs/dbraw/zinc/06/57/42/553065742.db2.gz VCTBCYQAXVNCCP-PXLXIMEGSA-N 0 1 571.855 5.811 50 10 KKCAMN Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=C1C(=O)NC(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1=O ZINC000008721675 553129484 /nfs/dbraw/zinc/12/94/84/553129484.db2.gz RDFLIWZJKKGHBZ-OQUHTXOYSA-N 0 1 517.586 5.304 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2CCCC[C@@H]2C)c(=O)c1-c1nc2ccccc2n1C ZINC000008740644 553132360 /nfs/dbraw/zinc/13/23/60/553132360.db2.gz SYHXUTAPPGWGAK-KRWDZBQOSA-N 0 1 503.599 5.166 50 10 KKCAMN O=C1NC(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)N1 ZINC000008741460 553132778 /nfs/dbraw/zinc/13/27/78/553132778.db2.gz CALDEIOAJRTSSP-UHFFFAOYSA-N 0 1 512.363 6.164 50 10 KKCAMN O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)c1 ZINC000008871919 553171905 /nfs/dbraw/zinc/17/19/05/553171905.db2.gz FMIWNYAIKVGURD-UHFFFAOYSA-N 0 1 509.590 6.015 50 10 KKCAMN O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C=C(c2ccccc2)N1c1ccc([N+](=O)[O-])cc1O ZINC000008872151 553172508 /nfs/dbraw/zinc/17/25/08/553172508.db2.gz BHOVIBAEERACDA-LDADJPATSA-N 0 1 519.340 7.339 50 10 KKCAMN C[C@H]1CCC[N@@H+](Cc2c([O-])ccc3c(=O)c(Oc4ccccc4Br)c(C(F)(F)F)oc32)C1 ZINC000009282031 553233863 /nfs/dbraw/zinc/23/38/63/553233863.db2.gz DASSVJZNQTWVBA-ZDUSSCGKSA-N 0 1 512.322 6.304 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(F)cc1 ZINC000009425679 553259504 /nfs/dbraw/zinc/25/95/04/553259504.db2.gz MNXWQUWMKAFUGD-UDWIEESQSA-N 0 1 511.347 5.027 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc([C@H](C)CC)cc1 ZINC000009659736 553293250 /nfs/dbraw/zinc/29/32/50/553293250.db2.gz YPRCBIUFSUOCLR-WLVUNBRHSA-N 0 1 500.595 5.518 50 10 KKCAMN CC[C@H](C)c1ccccc1OCCn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000013660106 553480649 /nfs/dbraw/zinc/48/06/49/553480649.db2.gz OIVHJCALYFGETF-JTOYMXJDSA-N 0 1 511.578 5.489 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCSc1cccc2ccccc21 ZINC000013943677 553497082 /nfs/dbraw/zinc/49/70/82/553497082.db2.gz UCYDSAGFZJICLJ-NCELDCMTSA-N 0 1 510.615 5.871 50 10 KKCAMN CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2[O-])N3)C1 ZINC000015946324 553544446 /nfs/dbraw/zinc/54/44/46/553544446.db2.gz AATCCSJFDMHGLJ-INIZCTEOSA-N 0 1 501.244 5.174 50 10 KKCAMN COc1cc(C(=O)OCCN2CCN([C@@H]3Cc4ccc(F)cc4Sc4ccc(C(C)C)cc43)CC2)cc(OC)c1OC ZINC000022789209 553750304 /nfs/dbraw/zinc/75/03/04/553750304.db2.gz NITNSLFCGVGFSH-HHHXNRCGSA-N 0 1 594.749 6.198 50 10 KKCAMN Cc1cc(C)cc(N2C(=O)C(=Cc3cn(CC(=O)N4CCC(C)CC4)c4ccccc34)C(=O)NC2=S)c1 ZINC000097466417 553758549 /nfs/dbraw/zinc/75/85/49/553758549.db2.gz AXOCZHSFXYHHPJ-IWIPYMOSSA-N 0 1 514.651 5.188 50 10 KKCAMN Cc1cc(N2Cc3ccccc3C2)ccc1C=C1C(=O)NC(=S)N(c2cccc(Cl)c2Cl)C1=O ZINC000027549051 553833555 /nfs/dbraw/zinc/83/35/55/553833555.db2.gz CNCNLYVPADJEBJ-NDENLUEZSA-N 0 1 508.430 6.494 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(C)c(C)c1 ZINC000097957790 553848462 /nfs/dbraw/zinc/84/84/62/553848462.db2.gz WJKUJMFLYOUHOA-HZHRSRAPSA-N 0 1 551.437 5.384 50 10 KKCAMN Cc1c(Cl)cccc1N1C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc(Br)cc3)c2-c2ccccc2)C(=O)NC1=S ZINC000097960834 553873679 /nfs/dbraw/zinc/87/36/79/553873679.db2.gz ZCBJLLBLDFPBCH-ZXVVBBHZSA-N 0 1 653.001 9.207 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000097960938 553874433 /nfs/dbraw/zinc/87/44/33/553874433.db2.gz RNGBYKZELQDTFC-USHMODERSA-N 0 1 638.974 8.899 50 10 KKCAMN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2C)c(C)c1 ZINC000097960965 553874774 /nfs/dbraw/zinc/87/47/74/553874774.db2.gz ZWIWOSRVFGKQDH-PDGQHHTCSA-N 0 1 542.444 6.168 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000097961002 553874816 /nfs/dbraw/zinc/87/48/16/553874816.db2.gz ANJQSTLXNMMESV-RRAHZORUSA-N 0 1 560.078 8.136 50 10 KKCAMN O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c2ccccc21)N1CCCC1 ZINC000097962697 553885148 /nfs/dbraw/zinc/88/51/48/553885148.db2.gz APICNQWSUMRFFM-AWQFTUOYSA-N 0 1 527.433 5.242 50 10 KKCAMN CC[C@H](C)c1ccc(OCCOc2c(Br)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1 ZINC000097966209 553907643 /nfs/dbraw/zinc/90/76/43/553907643.db2.gz FMIRIXVQBDZLDN-UZXDDYOISA-N 0 1 565.464 5.890 50 10 KKCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000033332238 553921141 /nfs/dbraw/zinc/92/11/41/553921141.db2.gz AEOMEFJBBHIAAA-MFOYZWKCSA-N 0 1 503.769 5.696 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1C ZINC000033332240 553921265 /nfs/dbraw/zinc/92/12/65/553921265.db2.gz NIUDXUDKIQNQBS-BKUYFWCQSA-N 0 1 507.384 5.197 50 10 KKCAMN COc1ccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OCc1ccc(C(C)C)cc1 ZINC000097971960 553964582 /nfs/dbraw/zinc/96/45/82/553964582.db2.gz NLVPZYHNNHBKTN-XMMPIXPASA-N 0 1 578.617 7.023 50 10 biogenic KKCAMN COc1cccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c1OCc1ccc(C(C)C)cc1 ZINC000097972083 553965700 /nfs/dbraw/zinc/96/57/00/553965700.db2.gz BBUXXPRTIXHYTG-HSZRJFAPSA-N 0 1 594.616 6.729 50 10 biogenic KKCAMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)c(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)c1 ZINC000100041062 554192182 /nfs/dbraw/zinc/19/21/82/554192182.db2.gz FDHULDKYQKRREM-PMICNGQHSA-N 0 1 579.875 7.084 50 10 KKCAMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)c(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)c1 ZINC000100041059 554192217 /nfs/dbraw/zinc/19/22/17/554192217.db2.gz FDHULDKYQKRREM-KZSQTELISA-N 0 1 579.875 7.084 50 10 KKCAMN CC(Nc1ccc(Oc2ccc(Br)cc2)cc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1C(F)(F)F ZINC000100095089 554215399 /nfs/dbraw/zinc/21/53/99/554215399.db2.gz JEUSYUNDKOOLSV-KGENOOAVSA-N 0 1 573.394 7.502 50 10 KKCAMN CCN(CC)S(=O)(=O)c1ccc(NC=C2C(=O)N(c3c(Cl)cc(Cl)cc3Cl)N=C2C)cc1 ZINC000100191727 554244781 /nfs/dbraw/zinc/24/47/81/554244781.db2.gz NGNAKLQRDWIUJM-SFQUDFHCSA-N 0 1 515.850 5.396 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000100222871 554252010 /nfs/dbraw/zinc/25/20/10/554252010.db2.gz DBRNMGXAPTVXOW-BUVRLJJBSA-N 0 1 594.495 6.950 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OCc1ccccc1Cl ZINC000100230455 554256341 /nfs/dbraw/zinc/25/63/41/554256341.db2.gz KHOKGJRTPOZMMD-NDENLUEZSA-N 0 1 585.907 6.220 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000101496793 554787104 /nfs/dbraw/zinc/78/71/04/554787104.db2.gz IVVJOQPLOBWBGA-NDENLUEZSA-N 0 1 527.802 5.542 50 10 KKCAMN CC[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@@H+]2CCCC[C@@H]2CC)c([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000102808247 555073789 /nfs/dbraw/zinc/07/37/89/555073789.db2.gz DYXAVASMACJLPD-XZOQPEGZSA-N 0 1 504.671 6.400 50 10 biogenic KKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])c(C[NH+]2CCCC[C@@H]2CC)c([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000102808247 555073790 /nfs/dbraw/zinc/07/37/90/555073790.db2.gz DYXAVASMACJLPD-XZOQPEGZSA-N 0 1 504.671 6.400 50 10 biogenic KKCAMN CC[C@@H]1CCCC[N@@H+]1Cc1c([O-])c(C[NH+]2CCCC[C@@H]2CC)c([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000102808247 555073792 /nfs/dbraw/zinc/07/37/92/555073792.db2.gz DYXAVASMACJLPD-XZOQPEGZSA-N 0 1 504.671 6.400 50 10 biogenic KKCAMN CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000103450625 555420655 /nfs/dbraw/zinc/42/06/55/555420655.db2.gz NDBVTBPSCHQPPT-PMERELPUSA-N 0 1 524.734 8.196 50 10 KKCAMN CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=S)Nc2ccccc2)cc1 ZINC000103450623 555420804 /nfs/dbraw/zinc/42/08/04/555420804.db2.gz NDBVTBPSCHQPPT-SSEXGKCCSA-N 0 1 524.734 8.196 50 10 KKCAMN Cc1cccc(N2C(=O)/C(=C\c3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c1C ZINC000103700846 555463847 /nfs/dbraw/zinc/46/38/47/555463847.db2.gz LLOPNRBMJWBRIQ-YVLHZVERSA-N 0 1 547.883 6.295 50 10 KKCAMN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000108085488 571422257 /nfs/dbraw/zinc/42/22/57/571422257.db2.gz FDYJQUYBICWGGY-ZHZULCJRSA-N 0 1 549.867 5.844 50 10 KKCAMN COC(=O)C[C@@H](c1ccccc1OCCc1ccc(OC)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108449027 571424556 /nfs/dbraw/zinc/42/45/56/571424556.db2.gz PYSHFRONZRCDKZ-DEOSSOPVSA-N 0 1 582.605 5.902 50 10 biogenic KKCAMN CC(C)c1ccc(COc2cccc([C@H]3CC(=O)Oc4cc(=O)c5c([O-])c(O)c(-c6ccc(O)c(O)c6)oc-5c43)c2)cc1 ZINC000108449462 571424659 /nfs/dbraw/zinc/42/46/59/571424659.db2.gz WGBFTHIHHTWIGP-HSZRJFAPSA-N 0 1 580.589 6.426 50 10 biogenic KKCAMN CCOc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000150396094 571476238 /nfs/dbraw/zinc/47/62/38/571476238.db2.gz GICXVBQCZYRTGT-SSEXGKCCSA-N 0 1 666.244 5.299 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(/C=C4\Sc5ccccc5N(Cc5cc(C)ccc5C)C4=O)cc3)CC2)cc1 ZINC000150446853 571501169 /nfs/dbraw/zinc/50/11/69/571501169.db2.gz BRGXZUFPFDTZBN-UOZKZNBHSA-N 0 1 646.857 6.934 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc3c(c2)OCO3)[C@@]12C(=O)Nc1ccccc12 ZINC000248293496 572257861 /nfs/dbraw/zinc/25/78/61/572257861.db2.gz VJWPAUHYKSNSLW-JIOPRJIZSA-N 0 1 550.611 5.012 50 10 KKCAMN CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@H+](CCCOC)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730553 1069830797 /nfs/dbraw/zinc/83/07/97/1069830797.db2.gz NDSOYYWKCKOYEC-SQJMNOBHSA-N 0 1 505.099 5.598 50 10 KKCAMN CCCCc1cc(=O)oc2c1cc(Cl)c([O-])c2C[N@@H+](CCCOC)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730553 1069830823 /nfs/dbraw/zinc/83/08/23/1069830823.db2.gz NDSOYYWKCKOYEC-SQJMNOBHSA-N 0 1 505.099 5.598 50 10 KKCAMN COc1ccc(O)c(CN2CCOc3c(cc(-c4csc5ccccc45)cc3O[C@H]3CCOC3)C2)c1 ZINC000064045044 1071267060 /nfs/dbraw/zinc/26/70/60/1071267060.db2.gz LONMATFBQYRVEY-QHCPKHFHSA-N 0 1 503.620 5.845 50 10 KKCAMN COc1ccc(CCOc2cccc([C@H](CC(=O)N3CCOCC3)c3c(=O)c(O)c(O)c4c(O)cc(-c5ccccc5)oc3-4)c2)cc1 ZINC000217841437 1071292778 /nfs/dbraw/zinc/29/27/78/1071292778.db2.gz KVFFOQRZZFJXMH-NDEPHWFRSA-N 0 1 637.685 5.588 50 10 biogenic KKCAMN O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21)N1CCCC1 ZINC000000634780 551505919 /nfs/dbraw/zinc/50/59/19/551505919.db2.gz MIABPOYRBRRLEK-SFQUDFHCSA-N 0 1 527.433 5.242 50 10 KKCAMN CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000002062245 551743441 /nfs/dbraw/zinc/74/34/41/551743441.db2.gz UPYGXEQPDWITFU-XLFHBGCDSA-N 0 1 514.283 5.984 50 10 KKCAMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000002116566 551769359 /nfs/dbraw/zinc/76/93/59/551769359.db2.gz DJLMYBQTTADDCA-ZVHZXABRSA-N 0 1 599.625 5.038 50 10 KKCAMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Oc5ccc([N+](=O)[O-])cn5)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000002116572 551769396 /nfs/dbraw/zinc/76/93/96/551769396.db2.gz DJLMYBQTTADDCA-OYKKKHCWSA-N 0 1 599.625 5.038 50 10 KKCAMN CN(C)c1ccc([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)N2CCN(c3ccccn3)CC2)cc1 ZINC000002667839 552152024 /nfs/dbraw/zinc/15/20/24/552152024.db2.gz QJUUPWYDHZUNDY-GDLZYMKVSA-N 0 1 500.731 6.360 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000003671810 552412504 /nfs/dbraw/zinc/41/25/04/552412504.db2.gz HDOMZFORNGJUSX-QOMWVZHYSA-N 0 1 543.623 7.622 50 10 KKCAMN CCOC(=O)c1cc(N2CCN([C@H]3Cc4ccccc4Sc4ccc(SC)cc43)CC2)c2c(Cl)cc(Cl)cc2n1 ZINC000008385778 552991347 /nfs/dbraw/zinc/99/13/47/552991347.db2.gz ZFXNOKRUMIVUTC-SANMLTNESA-N 0 1 610.632 8.011 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1ccc(C)cc1 ZINC000008453127 553065754 /nfs/dbraw/zinc/06/57/54/553065754.db2.gz FXHCSWQCKQJZTL-XQNSMLJCSA-N 0 1 551.437 5.466 50 10 KKCAMN CC1(C)CCC[NH+](Cc2c([O-])c(C[N@@H+]3CCCC(C)(C)C3)c([O-])c3c(=O)cc(-c4ccccc4)oc23)C1 ZINC000008738293 553130693 /nfs/dbraw/zinc/13/06/93/553130693.db2.gz AWRCCSMODSEXOZ-UHFFFAOYSA-N 0 1 504.671 6.115 50 10 biogenic KKCAMN CC1(C)CCC[NH+](Cc2c([O-])c(C[N@@H+]3CCCC(C)(C)C3)c3oc(-c4ccccc4)cc(=O)c3c2[O-])C1 ZINC000008738293 553130695 /nfs/dbraw/zinc/13/06/95/553130695.db2.gz AWRCCSMODSEXOZ-UHFFFAOYSA-N 0 1 504.671 6.115 50 10 biogenic KKCAMN CC1(C)CCC[NH+](Cc2c([O-])c(C[N@H+]3CCCC(C)(C)C3)c3oc(-c4ccccc4)cc(=O)c3c2[O-])C1 ZINC000008738293 553130698 /nfs/dbraw/zinc/13/06/98/553130698.db2.gz AWRCCSMODSEXOZ-UHFFFAOYSA-N 0 1 504.671 6.115 50 10 biogenic KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000008997368 553197743 /nfs/dbraw/zinc/19/77/43/553197743.db2.gz NQISIONSFZBFDV-YZSQISJMSA-N 0 1 512.034 7.086 50 10 KKCAMN CCOC(=O)c1oc2c(ccc([O-])c2C[N@H+]2CCC[C@H](C)C2)c(=O)c1-c1ccc(Br)cc1 ZINC000009075522 553207324 /nfs/dbraw/zinc/20/73/24/553207324.db2.gz IFYIQLFBSGDAPQ-HNNXBMFYSA-N 0 1 500.389 5.337 50 10 KKCAMN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Sc3nc4ccccc4s3)c(O)c3ccccc23)ccc1Cl ZINC000011024940 553338678 /nfs/dbraw/zinc/33/86/78/553338678.db2.gz LABHJEJRIVODBQ-UHFFFAOYSA-N 0 1 544.035 6.669 50 10 KKCAMN O=[N+]([O-])c1cc([C@@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)ccc1N1CCCC1 ZINC000012554438 553393174 /nfs/dbraw/zinc/39/31/74/553393174.db2.gz ZBLFRDYLSJPRPI-FNZWTVRRSA-N 0 1 507.421 6.808 50 10 KKCAMN CCCCCc1ccc(C(=O)[C@H]2[C@@H](C(C)=O)N3c4ccc(OC)cc4C=C[C@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000070672935 553603046 /nfs/dbraw/zinc/60/30/46/553603046.db2.gz YBHJPAROSWUPBF-IMNMKIORSA-N 0 1 534.656 5.990 50 10 biogenic KKCAMN Cc1ccc(C)c(Oc2c(=O)c3ccc([O-])c(C[NH+](Cc4ccccc4)Cc4ccccc4)c3oc2C(F)(F)F)c1 ZINC000095752900 553713289 /nfs/dbraw/zinc/71/32/89/553713289.db2.gz MGNWNVOITMREJW-UHFFFAOYSA-N 0 1 559.584 8.129 50 10 KKCAMN COc1ccc([C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OCC(C)C ZINC000096114270 553724896 /nfs/dbraw/zinc/72/48/96/553724896.db2.gz IYEIYIFAPQWLCP-QGZVFWFLSA-N 0 1 518.518 5.061 50 10 biogenic KKCAMN CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000097946308 553778421 /nfs/dbraw/zinc/77/84/21/553778421.db2.gz DHQHBKRQCVCDHT-RKZIHRPTSA-N 0 1 575.804 5.434 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000097960878 553873960 /nfs/dbraw/zinc/87/39/60/553873960.db2.gz UYBZLNYEAPFLKL-DEDYPNTBSA-N 0 1 555.441 5.987 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000097960951 553874373 /nfs/dbraw/zinc/87/43/73/553874373.db2.gz NSHQJIARFLDTCL-VEILYXNESA-N 0 1 622.816 7.884 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000097960948 553874437 /nfs/dbraw/zinc/87/44/37/553874437.db2.gz QKSFGOCBDDAEHO-ITYLOYPMSA-N 0 1 608.789 7.575 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(-c2ccc(Br)cc2)o1 ZINC000097960993 553874783 /nfs/dbraw/zinc/87/47/83/553874783.db2.gz NQBNKPKDXQABNS-BOPFTXTBSA-N 0 1 532.213 6.143 50 10 KKCAMN CCCCCCC(=O)NCCc1c(C=C2C(=O)NC(=S)N(c3cccc4ccccc43)C2=O)[nH]c2ccccc21 ZINC000097966740 553910018 /nfs/dbraw/zinc/91/00/18/553910018.db2.gz GIJQCIHUPODRES-QQTULTPQSA-N 0 1 552.700 6.622 50 10 KKCAMN Cc1ccc(N2C(=O)C(=Cc3cn(CCOc4cc(C)ccc4C)c4ccccc34)C(=O)NC2=S)cc1 ZINC000033333441 553921632 /nfs/dbraw/zinc/92/16/32/553921632.db2.gz WPKQIRILNQJEAM-UQQQWYQISA-N 0 1 509.631 6.317 50 10 KKCAMN CCCOc1ccc(CN2C(=O)NC(=O)C(=Cc3ccccc3OCc3ccc(C)cc3)C2=O)cc1OC ZINC000033348324 553922213 /nfs/dbraw/zinc/92/22/13/553922213.db2.gz HWQKYYCHKMYUIH-ULJHMMPZSA-N 0 1 514.578 5.874 50 10 KKCAMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(O)c(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)c1 ZINC000033354881 553931871 /nfs/dbraw/zinc/93/18/71/553931871.db2.gz APDUWRZTGRHJQP-YBOYZMIGSA-N 0 1 561.429 6.136 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)[C@@H]3Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000033357410 553948049 /nfs/dbraw/zinc/94/80/49/553948049.db2.gz ZGWZPUIXNXOHQR-JHOBJCJYSA-N 0 1 593.193 5.321 50 10 KKCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000097971018 553960500 /nfs/dbraw/zinc/96/05/00/553960500.db2.gz FCHKPRKZGXLOHV-QRVIBDJDSA-N 0 1 536.009 5.558 50 10 KKCAMN COc1ccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1OCc1ccc(C(C)C)cc1 ZINC000097971959 553964672 /nfs/dbraw/zinc/96/46/72/553964672.db2.gz NLVPZYHNNHBKTN-DEOSSOPVSA-N 0 1 578.617 7.023 50 10 biogenic KKCAMN O=c1cc2c(c3oc(-c4ccc(O)c(O)c4)cc(O)c1-3)[C@H](c1ccc(OCCc3ccc4c(c3)CCO4)cc1)CC(=O)O2 ZINC000097972031 553965395 /nfs/dbraw/zinc/96/53/95/553965395.db2.gz NQIOGLIHERFQSB-QHCPKHFHSA-N 0 1 578.573 5.574 50 10 biogenic KKCAMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)c(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)c1 ZINC000100041056 554192254 /nfs/dbraw/zinc/19/22/54/554192254.db2.gz FDHULDKYQKRREM-YBOYZMIGSA-N 0 1 579.875 7.084 50 10 KKCAMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=C1C(=O)N(c2ccc(I)cc2)N=C1C ZINC000100147681 554230719 /nfs/dbraw/zinc/23/07/19/554230719.db2.gz ZHUKRGKKZSLLFJ-YBFXNURJSA-N 0 1 563.193 5.060 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000100180101 554241505 /nfs/dbraw/zinc/24/15/05/554241505.db2.gz FGHQQNJVUWGHMM-RRAHZORUSA-N 0 1 560.078 7.296 50 10 KKCAMN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc([N+](=O)[O-])cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000100193613 554245406 /nfs/dbraw/zinc/24/54/06/554245406.db2.gz JBVQSAWTIIIUHB-BRPDVVIDSA-N 0 1 584.657 6.859 50 10 KKCAMN CCOc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000100215861 554250257 /nfs/dbraw/zinc/25/02/57/554250257.db2.gz VUKBQZRYLDHROM-SWKFRHMKSA-N 0 1 569.686 7.041 50 10 KKCAMN COc1ccc(N2C(=O)/C(=C/c3cc(Cl)c(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000100215983 554250408 /nfs/dbraw/zinc/25/04/08/554250408.db2.gz QTAYRUJBBHITHP-VXLYETTFSA-N 0 1 558.399 5.321 50 10 KKCAMN Cc1ccc(N2C(=O)/C(=C\c3cc(I)c(O)c(I)c3)SC2=S)cc1C ZINC000100326574 554310348 /nfs/dbraw/zinc/31/03/48/554310348.db2.gz LRBGIEUBXZDYJX-OVCLIPMQSA-N 0 1 593.249 5.624 50 10 KKCAMN Cc1ccc(CN2C(=O)/C(=C/c3c(=O)n4cc(C)ccc4nc3N3CCN(Cc4ccccc4)CC3)SC2=S)cc1 ZINC000100763249 554469156 /nfs/dbraw/zinc/46/91/56/554469156.db2.gz DKMVIUSHCPKBBA-IMRQLAEWSA-N 0 1 581.767 5.035 50 10 KKCAMN COc1cc(S(=O)(=O)[N-]c2cccc(C)c2)ccc1N=Cc1c(C)[n-]n(-c2cccc(Cl)c2)c1=O ZINC000101122770 554643894 /nfs/dbraw/zinc/64/38/94/554643894.db2.gz FFPIVVLRBQAXSJ-PXLXIMEGSA-N 0 1 511.003 5.176 50 10 KKCAMN CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(OC)cc2)cc1 ZINC000102649620 554995045 /nfs/dbraw/zinc/99/50/45/554995045.db2.gz APXQXWRWOGSMIA-WJOKGBTCSA-N 0 1 523.677 7.648 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)N(C)C(=O)/C(=C\c3cccc(C)c3)S4)CC2)cc1 ZINC000102791195 555069066 /nfs/dbraw/zinc/06/90/66/555069066.db2.gz QORCZMIQDJEZEF-MWAVMZGNSA-N 0 1 556.732 5.055 50 10 KKCAMN CCN(CC)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000102861822 555091874 /nfs/dbraw/zinc/09/18/74/555091874.db2.gz AGOZZECBFBDBIH-SSEXGKCCSA-N 0 1 572.547 8.402 50 10 KKCAMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCCCOc1ccc(Cl)cc1 ZINC000103680101 555462250 /nfs/dbraw/zinc/46/22/50/555462250.db2.gz NWWDJEKVEDJPJY-JWGURIENSA-N 0 1 527.802 5.412 50 10 KKCAMN COC(=O)C[C@H](c1ccc(OCCc2ccc(OC)cc2)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108449766 571424806 /nfs/dbraw/zinc/42/48/06/571424806.db2.gz LGBNHYANENALML-RUZDIDTESA-N 0 1 582.605 5.902 50 10 biogenic KKCAMN COC(=O)C[C@@H](c1ccc(OCc2ccc(C(C)C)cc2)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108450322 571425115 /nfs/dbraw/zinc/42/51/15/571425115.db2.gz OGSJKSMGCHIGDW-SANMLTNESA-N 0 1 580.633 6.974 50 10 biogenic KKCAMN COC(=O)C[C@H](c1ccc(OCc2ccc(C(C)C)cc2)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108450319 571425188 /nfs/dbraw/zinc/42/51/88/571425188.db2.gz OGSJKSMGCHIGDW-AREMUKBSSA-N 0 1 580.633 6.974 50 10 biogenic KKCAMN COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1 ZINC000108451194 571425611 /nfs/dbraw/zinc/42/56/11/571425611.db2.gz MPOVSZKZJAHYCX-QHCPKHFHSA-N 0 1 580.589 5.951 50 10 biogenic KKCAMN COc1ccc(CCOc2c(OC)cccc2[C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1 ZINC000108451194 571425612 /nfs/dbraw/zinc/42/56/12/571425612.db2.gz MPOVSZKZJAHYCX-QHCPKHFHSA-N 0 1 580.589 5.951 50 10 biogenic KKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc(Cl)cc(Cl)c3O)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000137910229 571450917 /nfs/dbraw/zinc/45/09/17/571450917.db2.gz HLDCJIGZVGRJGB-JBRSBNLGSA-N 0 1 505.357 5.903 50 10 KKCAMN O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)C1=CNc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 ZINC000150356185 571463175 /nfs/dbraw/zinc/46/31/75/571463175.db2.gz GGHLRXXPTNBALP-LFIBNONCSA-N 0 1 649.335 6.100 50 10 KKCAMN CN(C)c1ccc(-c2nc(-c3ccc(Oc4ccc(-c5[nH]c(-c6ccc(N(C)C)cc6)nc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)cc1 ZINC000150445943 571500976 /nfs/dbraw/zinc/50/09/76/571500976.db2.gz QXTSRXPTBPJKAM-UHFFFAOYSA-N 0 1 692.867 11.059 50 10 KKCAMN CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Oc4ccc(-c5[nH]c(-c6ccc(N(C)C)cc6)nc5-c5ccccc5)cc4)cc3)[nH]2)cc1 ZINC000150445943 571500977 /nfs/dbraw/zinc/50/09/77/571500977.db2.gz QXTSRXPTBPJKAM-UHFFFAOYSA-N 0 1 692.867 11.059 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc3c(c2)OCO3)[C@]12C(=O)Nc1ccccc12 ZINC000229937464 572171869 /nfs/dbraw/zinc/17/18/69/572171869.db2.gz VJWPAUHYKSNSLW-ZPBGSLHZSA-N 0 1 550.611 5.012 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248250995 572257109 /nfs/dbraw/zinc/25/71/09/572257109.db2.gz IZIAOPADRCMXMO-UCDUTVGFSA-N 0 1 506.602 5.284 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc(Cl)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000248267293 572257613 /nfs/dbraw/zinc/25/76/13/572257613.db2.gz OSFLPLNXNKVLGX-ACIRYHQQSA-N 0 1 541.047 5.937 50 10 KKCAMN COCCC[N@@H+](Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730738 1069831421 /nfs/dbraw/zinc/83/14/21/1069831421.db2.gz VQQKTHAQJRMBKX-ABYGYWHVSA-N 0 1 518.698 5.501 50 10 KKCAMN COCCC[N@H+](Cc1c([O-])ccc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524730738 1069831452 /nfs/dbraw/zinc/83/14/52/1069831452.db2.gz VQQKTHAQJRMBKX-ABYGYWHVSA-N 0 1 518.698 5.501 50 10 KKCAMN Cc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o3)C(=O)NC2=S)cc1C ZINC000000680394 551524087 /nfs/dbraw/zinc/52/40/87/551524087.db2.gz CMXVSRJAZAITKK-GZTJUZNOSA-N 0 1 504.917 6.067 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000000829453 551545794 /nfs/dbraw/zinc/54/57/94/551545794.db2.gz VPWZUTYTECVDTN-DEDYPNTBSA-N 0 1 527.387 5.370 50 10 KKCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000000980555 551591808 /nfs/dbraw/zinc/59/18/08/551591808.db2.gz RTRVWQUUXVXBJG-LDADJPATSA-N 0 1 520.330 5.090 50 10 KKCAMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)C2=O)cc1OC ZINC000002094155 551760265 /nfs/dbraw/zinc/76/02/65/551760265.db2.gz HWQKYYCHKMYUIH-JJIBRWJFSA-N 0 1 514.578 5.033 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000002180307 551784978 /nfs/dbraw/zinc/78/49/78/551784978.db2.gz CCJRIAWOLNZIEB-VCHYOVAHSA-N 0 1 517.796 6.086 50 10 KKCAMN Cc1cc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)ccc1Cl ZINC000002193543 551791574 /nfs/dbraw/zinc/79/15/74/551791574.db2.gz XDXBVMWVZNUOHM-HAHDFKILSA-N 0 1 517.969 5.327 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000002917039 552217790 /nfs/dbraw/zinc/21/77/90/552217790.db2.gz SAWAFZPPAWXTOJ-RGVLZGJSSA-N 0 1 561.832 5.183 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000003671809 552412501 /nfs/dbraw/zinc/41/25/01/552412501.db2.gz HDOMZFORNGJUSX-LHLOQNFPSA-N 0 1 543.623 6.782 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2CCC[C@@H](C)C2)c(=O)c1-c1nc2ccccc2n1C ZINC000008433257 553028557 /nfs/dbraw/zinc/02/85/57/553028557.db2.gz FHVSNLJUXOHYKC-QGZVFWFLSA-N 0 1 503.599 5.023 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccc(C)cc1)CCCC2 ZINC000008437014 553031137 /nfs/dbraw/zinc/03/11/37/553031137.db2.gz WHEJDCGKPUCPIU-YZSQISJMSA-N 0 1 673.658 7.189 50 10 KKCAMN Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)cc1 ZINC000008440540 553037935 /nfs/dbraw/zinc/03/79/35/553037935.db2.gz MLVDNEHFKVEGJX-BRPDVVIDSA-N 0 1 574.105 7.604 50 10 KKCAMN CCOC(=O)c1c(N=Cc2c(C)[nH]n(-c3ccc(I)cc3)c2=O)sc2c1CCCC2 ZINC000008441066 553039535 /nfs/dbraw/zinc/03/95/35/553039535.db2.gz MAIMFTYGEKUQIW-ATVHPVEESA-N 0 1 535.407 5.127 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 ZINC000008444816 553052062 /nfs/dbraw/zinc/05/20/62/553052062.db2.gz PFFKEDACZSGSNT-GDNBJRDFSA-N 0 1 511.308 6.104 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000008451348 553060805 /nfs/dbraw/zinc/06/08/05/553060805.db2.gz LDEVPQMSCUGJDO-OYKKKHCWSA-N 0 1 557.563 5.160 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000008451455 553061116 /nfs/dbraw/zinc/06/11/16/553061116.db2.gz ICAQPSHHGFEERT-PCLIKHOPSA-N 0 1 659.631 6.881 50 10 KKCAMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)C(=O)NC2=S)cc1 ZINC000008695550 553121955 /nfs/dbraw/zinc/12/19/55/553121955.db2.gz XIQMMLKSGAUSLM-OVVQPSECSA-N 0 1 507.615 5.601 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3cc(Nc4ccc(C)c(C)c4)nc4ccccc43)CC2)cc1 ZINC000008814222 553151325 /nfs/dbraw/zinc/15/13/25/553151325.db2.gz UJTZJMMKGYAMMG-UHFFFAOYSA-N 0 1 523.681 5.546 50 10 KKCAMN CCOC(=O)Cn1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c2ccccc21 ZINC000008914145 553185769 /nfs/dbraw/zinc/18/57/69/553185769.db2.gz OHNYAZPKPWWAJZ-XNTDXEJSSA-N 0 1 502.379 5.183 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000009678784 553295791 /nfs/dbraw/zinc/29/57/91/553295791.db2.gz SZFMCMJLODZRMZ-NHFJDJAPSA-N 0 1 512.606 5.662 50 10 KKCAMN CC[C@@H](C)c1ccccc1OCCn1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000013660103 553480634 /nfs/dbraw/zinc/48/06/34/553480634.db2.gz OIVHJCALYFGETF-AUFPJITRSA-N 0 1 511.578 5.489 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1F ZINC000013897053 553494855 /nfs/dbraw/zinc/49/48/55/553494855.db2.gz MNXULLLGUGCAEA-XDHOZWIPSA-N 0 1 511.347 5.027 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000013941953 553496667 /nfs/dbraw/zinc/49/66/67/553496667.db2.gz ZTLOUMHRDFJULK-JCMHNJIXSA-N 0 1 506.986 5.275 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(C)=O)C(=C(O)c2ccc(Br)cc2)[C@]12C(=O)Nc1ccccc12 ZINC000070672880 553603112 /nfs/dbraw/zinc/60/31/12/553603112.db2.gz FJARQOYNHUUOHL-YIPGRGJBSA-N 0 1 543.417 5.020 50 10 biogenic KKCAMN COc1cc(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C(C)C)ccc1OCCc1ccccc1 ZINC000096113967 553724749 /nfs/dbraw/zinc/72/47/49/553724749.db2.gz YWICFFSDSXTBTK-UHFFFAOYSA-N 0 1 525.561 5.913 50 10 biogenic KKCAMN CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000097946307 553778429 /nfs/dbraw/zinc/77/84/29/553778429.db2.gz DHQHBKRQCVCDHT-BDPHVXEFSA-N 0 1 575.804 5.434 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1C ZINC000097958680 553856811 /nfs/dbraw/zinc/85/68/11/553856811.db2.gz RUHOWRWSJCOEER-RCCKNPSSSA-N 0 1 537.410 5.075 50 10 KKCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCCOc1ccc(C2CCCCC2)cc1 ZINC000097959003 553859734 /nfs/dbraw/zinc/85/97/34/553859734.db2.gz ZEODZNAJBPYUPL-NHFJDJAPSA-N 0 1 561.476 6.416 50 10 KKCAMN CC[C@@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000097959080 553860359 /nfs/dbraw/zinc/86/03/59/553860359.db2.gz JKNMRAPAZIFPGN-VWBBVOOFSA-N 0 1 535.438 5.882 50 10 KKCAMN CCCOc1c(Br)cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc1OCC ZINC000097961975 553881907 /nfs/dbraw/zinc/88/19/07/553881907.db2.gz VOOWZWWHRSIJDP-WJDWOHSUSA-N 0 1 527.487 5.244 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000033358231 553954008 /nfs/dbraw/zinc/95/40/08/553954008.db2.gz SWERFRHWCHKRCY-RGVLZGJSSA-N 0 1 525.384 5.436 50 10 KKCAMN O=C1C[C@H](c2ccccc2OCCc2ccc3c(c2)CCO3)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000097971899 553963982 /nfs/dbraw/zinc/96/39/82/553963982.db2.gz QIHQIQNXIQDOJJ-HSZRJFAPSA-N 0 1 562.574 5.869 50 10 biogenic KKCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@@H](c2ccccc2OCCc2ccc3c(c2)CCO3)CC(=O)O1 ZINC000097971899 553963985 /nfs/dbraw/zinc/96/39/85/553963985.db2.gz QIHQIQNXIQDOJJ-HSZRJFAPSA-N 0 1 562.574 5.869 50 10 biogenic KKCAMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000033926494 553976806 /nfs/dbraw/zinc/97/68/06/553976806.db2.gz MXCKWSCWXVQTED-HMAPJEAMSA-N 0 1 507.999 5.596 50 10 KKCAMN CC(Nc1ccccc1-c1ccccc1)=C1C(=O)N(c2nc3ccccc3s2)N=C1CSc1ccc(Cl)cc1 ZINC000100094357 554214645 /nfs/dbraw/zinc/21/46/45/554214645.db2.gz KBRLZTKNZBVXKK-ZTKZIYFRSA-N 0 1 567.139 8.498 50 10 KKCAMN CCOc1cccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)NC2=S)c1 ZINC000100194461 554245827 /nfs/dbraw/zinc/24/58/27/554245827.db2.gz VIRPAUPIWLZDJH-MTJSOVHGSA-N 0 1 555.425 5.397 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000100195891 554246184 /nfs/dbraw/zinc/24/61/84/554246184.db2.gz KTTMMQKIDDOMPA-PKAZHMFMSA-N 0 1 568.680 6.293 50 10 KKCAMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(I)c(C)c4)c3C)C(=O)NC2=S)cc1 ZINC000100208995 554248593 /nfs/dbraw/zinc/24/85/93/554248593.db2.gz HDJBKNLAJVLGKO-HYARGMPZSA-N 0 1 569.468 5.401 50 10 KKCAMN Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(N3CCN(Cc4ccccc4)CC3)nc12 ZINC000100642354 554436544 /nfs/dbraw/zinc/43/65/44/554436544.db2.gz CTUUNUZDDDOSEO-CPUZRTFYSA-N 0 1 581.767 5.288 50 10 KKCAMN Cc1[nH]n(-c2ccc(I)cc2)c(=O)c1C=Nc1nnc(-c2ccc(Cl)cc2Cl)s1 ZINC000101113886 554642627 /nfs/dbraw/zinc/64/26/27/554642627.db2.gz MSLDYWNTCGRENF-OQLLNIDSSA-N 0 1 556.216 5.835 50 10 KKCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1cccc(C)c1 ZINC000101457062 554777860 /nfs/dbraw/zinc/77/78/60/554777860.db2.gz CHEJLRZERKDBFH-JCMHNJIXSA-N 0 1 537.410 5.075 50 10 KKCAMN CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000102523229 554949860 /nfs/dbraw/zinc/94/98/60/554949860.db2.gz SEJSLJARDDSGPP-PMERELPUSA-N 0 1 514.069 7.441 50 10 KKCAMN CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000102647532 554993488 /nfs/dbraw/zinc/99/34/88/554993488.db2.gz IHWPFLFAZMAMON-MUUNZHRXSA-N 0 1 549.502 8.557 50 10 KKCAMN CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(F)cc2)cc1 ZINC000103450614 555420729 /nfs/dbraw/zinc/42/07/29/555420729.db2.gz HSTQKXWTCORRTE-PMERELPUSA-N 0 1 511.641 7.778 50 10 KKCAMN COC(=O)C[C@H](c1ccccc1OCCc1ccc(OC)cc1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108449025 571424471 /nfs/dbraw/zinc/42/44/71/571424471.db2.gz PYSHFRONZRCDKZ-XMMPIXPASA-N 0 1 582.605 5.902 50 10 biogenic KKCAMN COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1 ZINC000108451196 571425601 /nfs/dbraw/zinc/42/56/01/571425601.db2.gz MPOVSZKZJAHYCX-HSZRJFAPSA-N 0 1 580.589 5.951 50 10 biogenic KKCAMN COc1ccc(CCOc2c(OC)cccc2[C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1 ZINC000108451196 571425602 /nfs/dbraw/zinc/42/56/02/571425602.db2.gz MPOVSZKZJAHYCX-HSZRJFAPSA-N 0 1 580.589 5.951 50 10 biogenic KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000150384959 571468471 /nfs/dbraw/zinc/46/84/71/571468471.db2.gz ICAQPSHHGFEERT-XYGWBWBKSA-N 0 1 659.631 6.881 50 10 KKCAMN CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000150396097 571476226 /nfs/dbraw/zinc/47/62/26/571476226.db2.gz GICXVBQCZYRTGT-PMERELPUSA-N 0 1 666.244 5.299 50 10 KKCAMN COc1cc(-c2c3c[nH]nc3nc3c4ccc(O)c(O)c4oc32)ccc1OCCc1ccc2c(c1)CCO2 ZINC000217649976 571602017 /nfs/dbraw/zinc/60/20/17/571602017.db2.gz NTYKEYKWFVWHRJ-UHFFFAOYSA-N 0 1 509.518 5.501 50 10 biogenic KKCAMN CNC(c1ccccc1)(c1ccccc1)c1ccccc1N(C)C(=O)c1c(OC)c2c(c(OC)c1N(C)C)OCO2 ZINC000252488429 572261626 /nfs/dbraw/zinc/26/16/26/572261626.db2.gz IRRMFGDVTNGTKO-UHFFFAOYSA-N 0 1 553.659 5.286 50 10 KKCAMN COCC[N@@H+](Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524731465 1069834375 /nfs/dbraw/zinc/83/43/75/1069834375.db2.gz ZDGYITOJBJDIGW-HFZDXXHNSA-N 0 1 511.062 5.532 50 10 KKCAMN COCC[N@H+](Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524731465 1069834394 /nfs/dbraw/zinc/83/43/94/1069834394.db2.gz ZDGYITOJBJDIGW-HFZDXXHNSA-N 0 1 511.062 5.532 50 10 KKCAMN COCCN(Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000524731465 1069834418 /nfs/dbraw/zinc/83/44/18/1069834418.db2.gz ZDGYITOJBJDIGW-HFZDXXHNSA-N 0 1 511.062 5.532 50 10 KKCAMN COCCN(Cc1c([O-])c(Cl)cc2c(-c3ccccc3)cc(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524731465 1069834438 /nfs/dbraw/zinc/83/44/38/1069834438.db2.gz ZDGYITOJBJDIGW-HFZDXXHNSA-N 0 1 511.062 5.532 50 10 KKCAMN Cc1ccc(C)n1-c1ccc(C(=O)N2CCCN(Cc3ccncc3)[C@@H](c3ccccc3)CC(=O)NCC2)cc1 ZINC000257178579 1070974014 /nfs/dbraw/zinc/97/40/14/1070974014.db2.gz BXBYLPLPJOCJAZ-WJOKGBTCSA-N 0 1 535.692 5.085 50 10 KKCAMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=C1C(=O)N(c2ccccc2)C(=S)N(c2ccccc2)C1=O ZINC000001216001 1072890251 /nfs/dbraw/zinc/89/02/51/1072890251.db2.gz BIGMZAUZWVLFQH-UHFFFAOYSA-N 0 1 559.445 5.397 50 10 KKCAMN Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1C=C1C(=O)N(c2ccc(I)cc2)N=C1C ZINC000000848923 551549736 /nfs/dbraw/zinc/54/97/36/551549736.db2.gz ZHUKRGKKZSLLFJ-ODLFYWEKSA-N 0 1 563.193 5.060 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C/c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000001095174 551607641 /nfs/dbraw/zinc/60/76/41/551607641.db2.gz YAXXLBQXERMYOS-LFVJCYFKSA-N 0 1 505.574 5.813 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000002085172 551754936 /nfs/dbraw/zinc/75/49/36/551754936.db2.gz LQLOWYOGNIDLBO-QQXSKIMKSA-N 0 1 572.643 6.124 50 10 KKCAMN O=C1c2cc(Br)ccc2N[C@@H](c2cc(Br)cc(Br)c2O)N1c1cccc(F)c1 ZINC000002747538 552174515 /nfs/dbraw/zinc/17/45/15/552174515.db2.gz HYTLKMXQLSOABE-LJQANCHMSA-N 0 1 571.038 6.590 50 10 KKCAMN CCOC(=O)c1oc2c(ccc([O-])c2C[N@H+]2CCC[C@@H](C)C2)c(=O)c1-c1ccc(Br)cc1 ZINC000004646201 552470329 /nfs/dbraw/zinc/47/03/29/552470329.db2.gz IFYIQLFBSGDAPQ-OAHLLOKOSA-N 0 1 500.389 5.337 50 10 KKCAMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)c(OC)c3)C2=O)cc1OC ZINC000008430142 553021054 /nfs/dbraw/zinc/02/10/54/553021054.db2.gz CYIUNZFJSLXHGM-OEAKJJBVSA-N 0 1 565.022 5.387 50 10 KKCAMN CCOc1ccccc1C(=O)NN1C(=O)c2cc(I)ccc2N[C@H]1c1cc(Br)cc(Br)c1O ZINC000008432041 553024870 /nfs/dbraw/zinc/02/48/70/553024870.db2.gz ATLRPJDZUNJZHI-OAQYLSRUSA-N 0 1 687.126 5.832 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1 ZINC000008454075 553067604 /nfs/dbraw/zinc/06/76/04/553067604.db2.gz TUOYNMMXKZQNJF-YZSQISJMSA-N 0 1 673.419 8.712 50 10 KKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000008461772 553075178 /nfs/dbraw/zinc/07/51/78/553075178.db2.gz MWIFYLCDJXIOBW-SXGWCWSVSA-N 0 1 537.819 5.817 50 10 KKCAMN CCCCc1ccc(N2C(=O)C(=Cc3cn(Cc4cccc(C)c4)c4ccccc34)C(=O)NC2=S)cc1 ZINC000008741228 553132443 /nfs/dbraw/zinc/13/24/43/553132443.db2.gz BEUAGTGCMQRGHL-OVVQPSECSA-N 0 1 507.659 7.012 50 10 KKCAMN CCc1ccccc1Nc1cc(C(=O)NCCCN2CCN(c3ccc(OC)cc3)CC2)c2ccccc2n1 ZINC000008814239 553151368 /nfs/dbraw/zinc/15/13/68/553151368.db2.gz HALSQUKBBTWYME-UHFFFAOYSA-N 0 1 523.681 5.492 50 10 KKCAMN CC[C@@H](C)c1ccc(OCCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000008997517 553197712 /nfs/dbraw/zinc/19/77/12/553197712.db2.gz FPUMANRDASMRCJ-BKKKIYDCSA-N 0 1 525.605 6.719 50 10 KKCAMN CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)NC2=S)cc1 ZINC000009295832 553235656 /nfs/dbraw/zinc/23/56/56/553235656.db2.gz ZZIVOHDFFXQQIO-OAKZWBAKSA-N 0 1 515.591 5.519 50 10 KKCAMN CC[C@H](C)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)NC2=S)cc1 ZINC000009295833 553235707 /nfs/dbraw/zinc/23/57/07/553235707.db2.gz ZZIVOHDFFXQQIO-LEBHPONQSA-N 0 1 515.591 5.519 50 10 KKCAMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCCC4)C3=O)c1C)CCCC2 ZINC000013536377 553469455 /nfs/dbraw/zinc/46/94/55/553469455.db2.gz GPSFMBKIFWLGBF-QNGOZBTKSA-N 0 1 523.655 5.006 50 10 KKCAMN CCCCCCOc1ccc(OCCOc2ccccc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000013943242 553497109 /nfs/dbraw/zinc/49/71/09/553497109.db2.gz XSHQAXIYSALISJ-QYQHSDTDSA-N 0 1 500.595 5.565 50 10 KKCAMN CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2[O-])N3)C1 ZINC000015946326 553544408 /nfs/dbraw/zinc/54/44/08/553544408.db2.gz AATCCSJFDMHGLJ-MRXNPFEDSA-N 0 1 501.244 5.174 50 10 KKCAMN CC[NH+]1CCN(Cc2c([O-])ccc3c(=O)c(Oc4ccc(-c5ccccc5)cc4)c(C(F)(F)F)oc32)CC1 ZINC000019791821 553616851 /nfs/dbraw/zinc/61/68/51/553616851.db2.gz RBTSRNMLVNGWJY-UHFFFAOYSA-N 0 1 524.539 6.114 50 10 KKCAMN Cc1ccc(NC(=S)NCCN(CCNC(=S)Nc2ccc(C)cc2C)Cc2ccccc2O)c(C)c1 ZINC000023936681 553787531 /nfs/dbraw/zinc/78/75/31/553787531.db2.gz PPMIWVHAZNMHPR-UHFFFAOYSA-N 0 1 535.783 5.401 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(C)cc1 ZINC000097959085 553860363 /nfs/dbraw/zinc/86/03/63/553860363.db2.gz XXWLAUPWKHDWFM-PXLXIMEGSA-N 0 1 537.410 5.075 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000097960859 553873691 /nfs/dbraw/zinc/87/36/91/553873691.db2.gz RGRPUDDIUSWJGL-NDENLUEZSA-N 0 1 561.832 6.024 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2)C(=O)C1=Cc1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000097960903 553874039 /nfs/dbraw/zinc/87/40/39/553874039.db2.gz SZWLOQJSELMLAT-YBEGLDIGSA-N 0 1 519.829 6.518 50 10 KKCAMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)C1=Cc1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000097960990 553874767 /nfs/dbraw/zinc/87/47/67/553874767.db2.gz WBNZTVKANCEGBV-GDNBJRDFSA-N 0 1 522.207 6.688 50 10 KKCAMN COc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)Nc4ccc(C)cc4)CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000033353948 553927974 /nfs/dbraw/zinc/92/79/74/553927974.db2.gz LEQRUMMDJMNCOT-IMRQLAEWSA-N 0 1 624.788 7.275 50 10 KKCAMN COc1cccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1OCc1ccc(C(C)C)cc1 ZINC000097971920 553963845 /nfs/dbraw/zinc/96/38/45/553963845.db2.gz PMNQBZKJUJGLDL-XMMPIXPASA-N 0 1 578.617 7.023 50 10 biogenic KKCAMN COc1cccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1OCc1ccc(C(C)C)cc1 ZINC000097971920 553963852 /nfs/dbraw/zinc/96/38/52/553963852.db2.gz PMNQBZKJUJGLDL-XMMPIXPASA-N 0 1 578.617 7.023 50 10 biogenic KKCAMN COc1cccc([C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1OCc1ccc(C(C)C)cc1 ZINC000097971919 553963864 /nfs/dbraw/zinc/96/38/64/553963864.db2.gz PMNQBZKJUJGLDL-DEOSSOPVSA-N 0 1 578.617 7.023 50 10 biogenic KKCAMN COc1cccc([C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1OCc1ccc(C(C)C)cc1 ZINC000097971919 553963867 /nfs/dbraw/zinc/96/38/67/553963867.db2.gz PMNQBZKJUJGLDL-DEOSSOPVSA-N 0 1 578.617 7.023 50 10 biogenic KKCAMN O=C1C[C@@H](c2ccccc2OCCc2ccc3c(c2)CCO3)c2c(c(O)c(=O)c3c(O)cc(-c4ccccc4)oc2-3)O1 ZINC000097971898 553963918 /nfs/dbraw/zinc/96/39/18/553963918.db2.gz QIHQIQNXIQDOJJ-QHCPKHFHSA-N 0 1 562.574 5.869 50 10 biogenic KKCAMN O=c1cc(-c2ccccc2)oc2c1c(O)c(O)c1c2[C@H](c2ccccc2OCCc2ccc3c(c2)CCO3)CC(=O)O1 ZINC000097971898 553963919 /nfs/dbraw/zinc/96/39/19/553963919.db2.gz QIHQIQNXIQDOJJ-QHCPKHFHSA-N 0 1 562.574 5.869 50 10 biogenic KKCAMN COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c1OCCc1ccccc1 ZINC000097972096 553966096 /nfs/dbraw/zinc/96/60/96/553966096.db2.gz GEKYQPFKUJTVFM-NRFANRHFSA-N 0 1 566.562 5.648 50 10 biogenic KKCAMN COc1ccccc1NS(=O)(=O)c1cc(NC=C2C(=O)N(c3ccccc3)N=C2C)ccc1N1CCCCC1 ZINC000097980980 553991318 /nfs/dbraw/zinc/99/13/18/553991318.db2.gz YRXYBHVMBYONKT-GFMRDNFCSA-N 0 1 545.665 5.205 50 10 KKCAMN O=C1N=C(c2ccccc2)C(c2nc3ccccc3s2)[C@@H](c2cc(Br)cc(Br)c2O)N1 ZINC000097983733 554011327 /nfs/dbraw/zinc/01/13/27/554011327.db2.gz AOPGVXGXMGVWEX-HXUWFJFHSA-N 0 1 557.267 6.449 50 10 KKCAMN O=C1N=C(c2ccccc2)C(c2nc3ccccc3[nH]2)[C@@H](c2cc(Br)cc(Br)c2O)N1 ZINC000097983884 554012803 /nfs/dbraw/zinc/01/28/03/554012803.db2.gz ZQERSNJGOGSBMP-HXUWFJFHSA-N 0 1 540.215 5.716 50 10 KKCAMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(Cl)c(NC=C2C(=O)N(c3cccc(Cl)c3)N=C2C)c1 ZINC000100041065 554192160 /nfs/dbraw/zinc/19/21/60/554192160.db2.gz FDHULDKYQKRREM-OZEVPFDHSA-N 0 1 579.875 7.084 50 10 KKCAMN CCOC(=O)c1c(N=Cc2c(C)[nH]n(-c3ccc(C)cc3)c2=O)sc(C)c1-c1ccc2cc(OC)ccc2c1 ZINC000100209352 554248629 /nfs/dbraw/zinc/24/86/29/554248629.db2.gz QOGKIEJWCRIQJN-ONUIUJJFSA-N 0 1 539.657 7.089 50 10 KKCAMN CCOC(=O)c1c2c(sc1-n1c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc([C@H](C)CC)cc4)C3=O)c1C)CCCC2 ZINC000100209921 554248911 /nfs/dbraw/zinc/24/89/11/554248911.db2.gz GHTPEBZIOIQCMY-UPMNJHNBSA-N 0 1 589.783 6.556 50 10 KKCAMN CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4ccc(Br)c5ccccc54)C3=O)o2)cc1 ZINC000100210630 554248922 /nfs/dbraw/zinc/24/89/22/554248922.db2.gz UJNYRIJOAURMIK-QNGOZBTKSA-N 0 1 531.362 5.500 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c2-c2ccccc2)cc1 ZINC000100211703 554249249 /nfs/dbraw/zinc/24/92/49/554249249.db2.gz GSRIOCZKNDUHIT-VAMRJTSQSA-N 0 1 627.722 6.828 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)ccc1OCc1cccc(C)c1 ZINC000100227072 554253490 /nfs/dbraw/zinc/25/34/90/554253490.db2.gz WKVDYIVQEJZHSU-XKZIYDEJSA-N 0 1 551.462 5.567 50 10 KKCAMN COC(=O)c1ccc([C@@H]2N=C(c3ccc(OC)cc3)C[C@H](c3cc(Br)cc(Br)c3O)N2)cc1 ZINC000053364122 554346639 /nfs/dbraw/zinc/34/66/39/554346639.db2.gz IDMLNEFDSBHAFS-ISKFKSNPSA-N 0 1 574.269 5.935 50 10 KKCAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000100574919 554422813 /nfs/dbraw/zinc/42/28/13/554422813.db2.gz FCHGSGIRSJAGBI-GOTSBHOMSA-N 0 1 563.268 6.427 50 10 KKCAMN Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000100762030 554467757 /nfs/dbraw/zinc/46/77/57/554467757.db2.gz DMRQFIZEEYVIHV-HMFVREHESA-N 0 1 581.767 5.288 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000101724717 554832767 /nfs/dbraw/zinc/83/27/67/554832767.db2.gz LQLOWYOGNIDLBO-WGOQTCKBSA-N 0 1 572.643 6.124 50 10 KKCAMN COc1ccc2c(c1)C=C[C@H]1N2[C@H](C(=O)C(C)(C)C)[C@@H](C(=O)c2ccc(CC(C)C)cc2)[C@@]12c1ccccc1NC2=O ZINC000102472328 554936603 /nfs/dbraw/zinc/93/66/03/554936603.db2.gz CGJABXVVKWJQAL-WUPCUQSLSA-N 0 1 562.710 6.482 50 10 KKCAMN CN(C)c1ccc([C@@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Cc2ccc(Cl)cc2)cc1 ZINC000102523231 554949881 /nfs/dbraw/zinc/94/98/81/554949881.db2.gz SEJSLJARDDSGPP-SSEXGKCCSA-N 0 1 514.069 7.441 50 10 KKCAMN CCN(CC)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccc(Br)cc2)cc1 ZINC000102861824 555091869 /nfs/dbraw/zinc/09/18/69/555091869.db2.gz AGOZZECBFBDBIH-PMERELPUSA-N 0 1 572.547 8.402 50 10 KKCAMN CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000103332885 555360150 /nfs/dbraw/zinc/36/01/50/555360150.db2.gz LGZVEMJNEFQJAH-OYTZIAQDSA-N 0 1 548.683 6.236 50 10 KKCAMN COc1cccc([C@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)c1OCCc1ccc2c(c1)CCO2 ZINC000108451048 571425514 /nfs/dbraw/zinc/42/55/14/571425514.db2.gz COMWOMMKCWRXQY-HSZRJFAPSA-N 0 1 592.600 5.877 50 10 biogenic KKCAMN COc1cccc([C@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)c1OCCc1ccc2c(c1)CCO2 ZINC000108451048 571425515 /nfs/dbraw/zinc/42/55/15/571425515.db2.gz COMWOMMKCWRXQY-HSZRJFAPSA-N 0 1 592.600 5.877 50 10 biogenic KKCAMN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4ccc(Br)cc4)C3)CC2)cc1 ZINC000248134996 572254964 /nfs/dbraw/zinc/25/49/64/572254964.db2.gz MOOUIGFQQBJAOV-HSZRJFAPSA-N 0 1 588.550 5.357 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccccc2)[C@]12C(=O)Nc1ccccc12 ZINC000248250993 572257143 /nfs/dbraw/zinc/25/71/43/572257143.db2.gz IZIAOPADRCMXMO-ACIRYHQQSA-N 0 1 506.602 5.284 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)[C@H](C(=O)c2ccccc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248251000 572257301 /nfs/dbraw/zinc/25/73/01/572257301.db2.gz IZIAOPADRCMXMO-XTQYNZLPSA-N 0 1 506.602 5.284 50 10 KKCAMN COc1ccc(CCOc2cccc([C@@H](CC(=O)N3CCOCC3)c3c(=O)c(O)c(O)c4c(O)cc(-c5ccccc5)oc3-4)c2)cc1 ZINC000217841507 1071292871 /nfs/dbraw/zinc/29/28/71/1071292871.db2.gz KVFFOQRZZFJXMH-MUUNZHRXSA-N 0 1 637.685 5.588 50 10 biogenic KKCAMN O=C1NN(c2ccccc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000000640698 551506895 /nfs/dbraw/zinc/50/68/95/551506895.db2.gz ROHGDMWVSOBMDE-LDADJPATSA-N 0 1 518.194 5.796 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1C ZINC000000640733 551506898 /nfs/dbraw/zinc/50/68/98/551506898.db2.gz NIUDXUDKIQNQBS-FYJGNVAPSA-N 0 1 507.384 5.197 50 10 KKCAMN Cc1cccc(N2C(=O)C(=Cc3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3-c3ccccc3)C(=O)NC2=S)c1 ZINC000002062480 551743572 /nfs/dbraw/zinc/74/35/72/551743572.db2.gz IRNKLPASICHGIX-ZTKZIYFRSA-N 0 1 574.105 8.445 50 10 KKCAMN COc1c(Br)cc([C@@H]2Nc3ccccc3-c3nnc(SC)nc3O2)c(O)c1Br ZINC000002068773 551746429 /nfs/dbraw/zinc/74/64/29/551746429.db2.gz XZMPRDGKFVNJBM-MRXNPFEDSA-N 0 1 526.210 5.003 50 10 KKCAMN COc1cc(N2C(=O)C(=Cc3cn(Cc4ccccc4)c4ccccc34)C(=O)NC2=S)cc(OC)c1OC ZINC000002261495 552084330 /nfs/dbraw/zinc/08/43/30/552084330.db2.gz GHCHAANXZNLLGE-LPYMAVHISA-N 0 1 527.602 5.387 50 10 KKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCCOc2ccccc2Cl)c2ccccc12 ZINC000002315248 552092357 /nfs/dbraw/zinc/09/23/57/552092357.db2.gz NBXLUQPKCHRPFC-QNGOZBTKSA-N 0 1 503.942 5.019 50 10 KKCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002337069 552097294 /nfs/dbraw/zinc/09/72/94/552097294.db2.gz SSKOUAXKAQJMBG-FYJGNVAPSA-N 0 1 508.430 6.228 50 10 KKCAMN CCOc1ccc(N2C(=O)C(=Cc3ccc4c(c3)CCN4Cc3ccccc3Cl)C(=O)NC2=S)cc1 ZINC000002396292 552110204 /nfs/dbraw/zinc/11/02/04/552110204.db2.gz WBIVFBMICKFTDK-XQNSMLJCSA-N 0 1 518.038 5.973 50 10 KKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc21 ZINC000004290044 552456451 /nfs/dbraw/zinc/45/64/51/552456451.db2.gz HEAXXEBGNIFVOI-NRFANRHFSA-N 0 1 523.551 7.741 50 10 KKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000008383999 552988263 /nfs/dbraw/zinc/98/82/63/552988263.db2.gz LGQKZHNVIXBZQD-NDENLUEZSA-N 0 1 637.268 5.603 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000008397873 552997804 /nfs/dbraw/zinc/99/78/04/552997804.db2.gz IDIPDCNNOCODAY-XKZIYDEJSA-N 0 1 569.468 5.455 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2CCC[C@H](C)C2)c(=O)c1-c1nc2ccccc2n1C ZINC000008433256 553028572 /nfs/dbraw/zinc/02/85/72/553028572.db2.gz FHVSNLJUXOHYKC-KRWDZBQOSA-N 0 1 503.599 5.023 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Br)c2ccccc21 ZINC000009012275 553199843 /nfs/dbraw/zinc/19/98/43/553199843.db2.gz LJQJLNWYBXCGGV-FYJGNVAPSA-N 0 1 518.367 5.469 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000009311351 553239442 /nfs/dbraw/zinc/23/94/42/553239442.db2.gz YONYAKFJDIBAGD-MOSHPQCFSA-N 0 1 512.462 6.356 50 10 KKCAMN CCCCc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(=O)OCC)cc4)c3C)C(=O)NC2=S)cc1 ZINC000009311785 553239723 /nfs/dbraw/zinc/23/97/23/553239723.db2.gz YFEUDLMKXHAFNM-ITYLOYPMSA-N 0 1 529.662 5.445 50 10 KKCAMN Cc1ccc(C(C)C)c(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000009477644 553272497 /nfs/dbraw/zinc/27/24/97/553272497.db2.gz JUUHGOAQFNPJQE-ONUIUJJFSA-N 0 1 525.605 5.797 50 10 KKCAMN Cc1cccc(Cn2cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4C)C3=O)c3ccccc32)c1 ZINC000012468387 553367977 /nfs/dbraw/zinc/36/79/77/553367977.db2.gz YWDBMCAJXISVNC-HYARGMPZSA-N 0 1 500.023 5.791 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000013546341 553470041 /nfs/dbraw/zinc/47/00/41/553470041.db2.gz REDVCXGOJWOVEL-ZDLGFXPLSA-N 0 1 504.826 5.886 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000013750113 553487701 /nfs/dbraw/zinc/48/77/01/553487701.db2.gz WIRIWYAKXHFLJH-XMHGGMMESA-N 0 1 508.430 6.228 50 10 KKCAMN COc1cc(OC)c(-c2c3oc4c(ccc(O)c4O)c3nc3c2c(=O)[nH]n3C2CCCCC2)cc1OC ZINC000095479833 553701814 /nfs/dbraw/zinc/70/18/14/553701814.db2.gz TZCKGDUHRHWBRH-UHFFFAOYSA-N 0 1 505.527 5.646 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000022033900 553723243 /nfs/dbraw/zinc/72/32/43/553723243.db2.gz SZJSYSBYTDABRP-VCHYOVAHSA-N 0 1 515.378 5.140 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCCOc1ccc(C)c(C)c1 ZINC000097958099 553851176 /nfs/dbraw/zinc/85/11/76/553851176.db2.gz UINDMOYVECCUFN-IWIPYMOSSA-N 0 1 530.577 5.281 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)cc(OC)c1OCCOc1ccccc1Cl ZINC000097958911 553858693 /nfs/dbraw/zinc/85/86/93/553858693.db2.gz PVQKPSZQMOCPND-ZHZULCJRSA-N 0 1 536.968 5.317 50 10 KKCAMN Cc1c(Cl)cccc1N1C(=O)C(=Cc2cn(CC(=O)Nc3ccccc3)c3ccccc23)C(=O)NC1=S ZINC000097959649 553865199 /nfs/dbraw/zinc/86/51/99/553865199.db2.gz VQTCUQYOPRCSGP-KGENOOAVSA-N 0 1 529.021 5.913 50 10 KKCAMN Cc1ccc(N2C(=O)C(=Cc3cc(Br)c(Sc4ccc(Cl)cc4)o3)C(=O)NC2=S)c(C)c1 ZINC000097960831 553873656 /nfs/dbraw/zinc/87/36/56/553873656.db2.gz JNKCKGWEGLEFQK-LICLKQGHSA-N 0 1 547.883 7.135 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000097960833 553873706 /nfs/dbraw/zinc/87/37/06/553873706.db2.gz NEHYCFLJWNMQJL-ZHZULCJRSA-N 0 1 520.441 7.226 50 10 KKCAMN O=C(NN1C(=O)/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S)c1cccs1 ZINC000097961134 553875330 /nfs/dbraw/zinc/87/53/30/553875330.db2.gz MYQVPDWUCGIBNR-SRZZPIQSSA-N 0 1 528.055 6.090 50 10 KKCAMN O=C1/C(=C\c2cc(I)c(O)c(I)c2)SC(=S)N1c1ccc(F)c(Cl)c1 ZINC000097962200 553883526 /nfs/dbraw/zinc/88/35/26/553883526.db2.gz WGNJCIWBAMSRFP-WLRTZDKTSA-N 0 1 617.630 5.800 50 10 KKCAMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc(Br)c1O ZINC000097962645 553884914 /nfs/dbraw/zinc/88/49/14/553884914.db2.gz OHODYMVJRHINFL-NTUHNPAUSA-N 0 1 540.233 5.296 50 10 KKCAMN CC[C@@H](C)c1ccc(OCCOc2c(Br)cc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2OC)cc1 ZINC000097966208 553907678 /nfs/dbraw/zinc/90/76/78/553907678.db2.gz FMIRIXVQBDZLDN-VKINRBECSA-N 0 1 565.464 5.890 50 10 KKCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1c(Cl)cccc1Cl ZINC000033332239 553920978 /nfs/dbraw/zinc/92/09/78/553920978.db2.gz JAAZCHXLYCZXMV-YBEGLDIGSA-N 0 1 503.769 5.696 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(OCc2ccc3ccccc3c2)c(Br)c1 ZINC000033353929 553927492 /nfs/dbraw/zinc/92/74/92/553927492.db2.gz XWTCDGOJKKLJJH-KGENOOAVSA-N 0 1 561.432 6.992 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)[C@@H](C)[C@H]3Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000033357415 553948031 /nfs/dbraw/zinc/94/80/31/553948031.db2.gz ZGWZPUIXNXOHQR-YUDQIZAISA-N 0 1 593.193 5.321 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)[C@H](C)[C@H]3Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)CC2)cc1 ZINC000033357417 553948058 /nfs/dbraw/zinc/94/80/58/553948058.db2.gz ZGWZPUIXNXOHQR-WVXBCFDCSA-N 0 1 593.193 5.321 50 10 KKCAMN COc1cccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)c1OCc1ccc(C(C)C)cc1 ZINC000097972082 553965766 /nfs/dbraw/zinc/96/57/66/553965766.db2.gz BBUXXPRTIXHYTG-QHCPKHFHSA-N 0 1 594.616 6.729 50 10 biogenic KKCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCCOc1ccc(Cl)cc1 ZINC000035190572 554041296 /nfs/dbraw/zinc/04/12/96/554041296.db2.gz GQYGLEFYNHEVGA-STZFKDTASA-N 0 1 513.377 5.311 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000100115323 554223167 /nfs/dbraw/zinc/22/31/67/554223167.db2.gz JNWVURHCDKFJKD-QRQIAZFYSA-N 0 1 600.538 6.575 50 10 KKCAMN CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)C(=O)NC1=S ZINC000100213185 554249638 /nfs/dbraw/zinc/24/96/38/554249638.db2.gz IPJFGXCVOAGUIE-KGENOOAVSA-N 0 1 569.468 5.401 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3F)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000100216328 554250648 /nfs/dbraw/zinc/25/06/48/554250648.db2.gz LTFNMBWHTVHMBT-QJOMJCCJSA-N 0 1 598.725 6.257 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1-c1ccc(OCc2ccccc2F)cc1 ZINC000100223967 554252442 /nfs/dbraw/zinc/25/24/42/554252442.db2.gz AYRLTGRGWLIVGA-HZHRSRAPSA-N 0 1 594.495 6.950 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccccc1C ZINC000100230516 554256439 /nfs/dbraw/zinc/25/64/39/554256439.db2.gz RUHOWRWSJCOEER-QNGOZBTKSA-N 0 1 537.410 5.075 50 10 KKCAMN CN(C)c1ccc(N2C(=O)/C(=C\c3cc(I)c(O)c(I)c3)SC2=S)cc1 ZINC000100340516 554324889 /nfs/dbraw/zinc/32/48/89/554324889.db2.gz PJTBCMOXZREDLB-OQLLNIDSSA-N 0 1 608.264 5.073 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000101432277 554770521 /nfs/dbraw/zinc/77/05/21/554770521.db2.gz LDEVPQMSCUGJDO-ZVHZXABRSA-N 0 1 557.563 5.160 50 10 KKCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000101479687 554783240 /nfs/dbraw/zinc/78/32/40/554783240.db2.gz UOFMAIMRJCGWTQ-MFOYZWKCSA-N 0 1 595.220 5.647 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc(/C=C4/Sc5ccccc5N(Cc5ccc(C)cc5)C4=O)cc3)CC2)cc1 ZINC000101633848 554812127 /nfs/dbraw/zinc/81/21/27/554812127.db2.gz VLJWMOHTHSOGFV-LZBRRTOVSA-N 0 1 632.830 6.626 50 10 KKCAMN O=C(Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)c1ccccc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000102938607 555167116 /nfs/dbraw/zinc/16/71/16/555167116.db2.gz SXGOOEITOZIFJZ-UHFFFAOYSA-N 0 1 561.413 5.278 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1cccc(C)c1 ZINC000103680125 555462324 /nfs/dbraw/zinc/46/23/24/555462324.db2.gz HFNVIQBKFMYGFN-KQWNVCNZSA-N 0 1 551.437 5.466 50 10 KKCAMN COC(=O)C[C@@H](c1ccc(-c2ccc(C(=O)OC)cc2)o1)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108448454 571424152 /nfs/dbraw/zinc/42/41/52/571424152.db2.gz OMTYAVMNZCQKEU-IBGZPJMESA-N 0 1 556.523 5.318 50 10 biogenic KKCAMN COc1ccc(CCOc2ccccc2[C@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1 ZINC000108448364 571424248 /nfs/dbraw/zinc/42/42/48/571424248.db2.gz STZBCCKTMKALQZ-JOCHJYFZSA-N 0 1 566.562 5.648 50 10 biogenic KKCAMN COC(=O)C[C@H](c1ccccc1OCCc1ccc2c(c1)CCO2)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108449936 571424988 /nfs/dbraw/zinc/42/49/88/571424988.db2.gz OPLHFYPOJLOROJ-XMMPIXPASA-N 0 1 594.616 5.828 50 10 biogenic KKCAMN COC(=O)C[C@@H](c1cc2cc3ccccc3cc2[nH]c1=O)c1c(=O)c(O)c(O)c2c(O)cc(-c3ccccc3)oc1-2 ZINC000108451528 571425792 /nfs/dbraw/zinc/42/57/92/571425792.db2.gz HADQVKZVHDIADJ-FQEVSTJZSA-N 0 1 549.535 5.267 50 10 biogenic KKCAMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000150385367 571468758 /nfs/dbraw/zinc/46/87/58/571468758.db2.gz JYYORZGKVXLWKK-TURZUDJPSA-N 0 1 649.526 7.313 50 10 KKCAMN COc1ccc(N2CCN(C(=O)[C@@H]3CCCN(Cc4nc5ccccc5n4-c4cccc(Br)c4)C3)CC2)cc1 ZINC000248127093 572254536 /nfs/dbraw/zinc/25/45/36/572254536.db2.gz IHROTGCIXZFFKE-HSZRJFAPSA-N 0 1 588.550 5.357 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248267297 572257610 /nfs/dbraw/zinc/25/76/10/572257610.db2.gz OSFLPLNXNKVLGX-UCDUTVGFSA-N 0 1 541.047 5.937 50 10 KKCAMN COc1ccc2c(c1)C=C[C@@H]1N2[C@H](C(=O)C(C)(C)C)C(=C(O)c2ccc(Cl)cc2)[C@@]12C(=O)Nc1ccccc12 ZINC000248267299 572257654 /nfs/dbraw/zinc/25/76/54/572257654.db2.gz OSFLPLNXNKVLGX-XTQYNZLPSA-N 0 1 541.047 5.937 50 10 KKCAMN COCC[NH+](Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000524729687 1069824893 /nfs/dbraw/zinc/82/48/93/1069824893.db2.gz FBTWTQGHBJQKBD-NEKDWFFYSA-N 0 1 539.116 5.764 50 10 KKCAMN COCC[N@@H+](Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729687 1069824907 /nfs/dbraw/zinc/82/49/07/1069824907.db2.gz FBTWTQGHBJQKBD-NEKDWFFYSA-N 0 1 539.116 5.764 50 10 KKCAMN COCC[N@H+](Cc1c([O-])c(Cl)cc2c(C)c(Cc3ccccc3)c(=O)oc21)C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524729687 1069824925 /nfs/dbraw/zinc/82/49/25/1069824925.db2.gz FBTWTQGHBJQKBD-NEKDWFFYSA-N 0 1 539.116 5.764 50 10 KKCAMN COCC[N@@H+](Cc1c(C)cc2oc(=O)c(Cc3ccccc3)c(C)c2c1[O-])C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524731808 1069834768 /nfs/dbraw/zinc/83/47/68/1069834768.db2.gz KYAGWBTWNCTHTG-LBNVMWSVSA-N 0 1 518.698 5.419 50 10 KKCAMN COCC[N@H+](Cc1c(C)cc2oc(=O)c(Cc3ccccc3)c(C)c2c1[O-])C[C@@H]1CCCN2CCCC[C@H]12 ZINC000524731808 1069834793 /nfs/dbraw/zinc/83/47/93/1069834793.db2.gz KYAGWBTWNCTHTG-LBNVMWSVSA-N 0 1 518.698 5.419 50 10 KKCAMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000000640727 551506801 /nfs/dbraw/zinc/50/68/01/551506801.db2.gz AEOMEFJBBHIAAA-RQZCQDPDSA-N 0 1 503.769 5.696 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2C)cc1 ZINC000000858028 551550765 /nfs/dbraw/zinc/55/07/65/551550765.db2.gz LBCABXFCALEDNV-LFVJCYFKSA-N 0 1 501.608 5.505 50 10 KKCAMN CCCCCCC(=O)NCCc1c(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)[nH]c2ccccc21 ZINC000001858459 551716643 /nfs/dbraw/zinc/71/66/43/551716643.db2.gz BJCXWHDASZQLRI-JZJYNLBNSA-N 0 1 520.630 5.179 50 10 KKCAMN CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000002062244 551743388 /nfs/dbraw/zinc/74/33/88/551743388.db2.gz UPYGXEQPDWITFU-XYZCENFISA-N 0 1 514.283 5.984 50 10 KKCAMN Cc1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=S)N(c4ccc(C)c(C)c4)C3=O)c2-c2ccccc2)cc1 ZINC000002070799 551746957 /nfs/dbraw/zinc/74/69/57/551746957.db2.gz AFQORUCUEQIQPW-NJZRLIGZSA-N 0 1 567.714 8.408 50 10 KKCAMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)C1=Cc1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000002075727 551749925 /nfs/dbraw/zinc/74/99/25/551749925.db2.gz MYFFTNXOZSUTRK-NLRVBDNBSA-N 0 1 594.523 8.790 50 10 KKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C\c1cn(CCCOc2ccc(Cl)cc2)c2ccccc12 ZINC000002221348 551796239 /nfs/dbraw/zinc/79/62/39/551796239.db2.gz LFQYBGGULOXBPN-HAHDFKILSA-N 0 1 503.942 5.019 50 10 KKCAMN CC[C@H](C)c1ccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000002224364 552081737 /nfs/dbraw/zinc/08/17/37/552081737.db2.gz FPUMANRDASMRCJ-CCPXZDFDSA-N 0 1 525.605 5.879 50 10 KKCAMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)C1=Cc1ccc2c(c1)CCN2Cc1ccccc1Cl ZINC000002403904 552112017 /nfs/dbraw/zinc/11/20/17/552112017.db2.gz ROJMVYFBZVQNJI-FYJGNVAPSA-N 0 1 541.982 6.593 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(I)c1OCC ZINC000002918726 552218740 /nfs/dbraw/zinc/21/87/40/552218740.db2.gz HIMQXFGQEHYMSY-NTUHNPAUSA-N 0 1 591.254 5.227 50 10 KKCAMN O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000002942836 552228002 /nfs/dbraw/zinc/22/80/02/552228002.db2.gz ONRPSIUCTULHFB-HYARGMPZSA-N 0 1 514.994 5.605 50 10 KKCAMN CC(C)(C)c1ccc(OCCn2cc(/C=C3\C(=O)NC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000004091075 552435158 /nfs/dbraw/zinc/43/51/58/552435158.db2.gz UZMJTJVYAXARLT-ZXVVBBHZSA-N 0 1 521.617 5.680 50 10 KKCAMN C[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc21 ZINC000004290042 552456498 /nfs/dbraw/zinc/45/64/98/552456498.db2.gz ZHAOVJFAUYUESK-SFHVURJKSA-N 0 1 509.524 7.351 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCCOc1cccc(C)c1 ZINC000008453128 553065807 /nfs/dbraw/zinc/06/58/07/553065807.db2.gz HFNVIQBKFMYGFN-XQNSMLJCSA-N 0 1 551.437 5.466 50 10 KKCAMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000008454077 553067624 /nfs/dbraw/zinc/06/76/24/553067624.db2.gz IZAMBKTYHGCELT-YDZHTSKRSA-N 0 1 607.913 6.675 50 10 KKCAMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1cn(CCCOc2ccccc2Cl)c2ccccc12 ZINC000009012588 553199848 /nfs/dbraw/zinc/19/98/48/553199848.db2.gz NBXLUQPKCHRPFC-RCCKNPSSSA-N 0 1 503.942 5.223 50 10 KKCAMN O=[N+]([O-])c1cc([C@@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)ccc1N1CCCC1 ZINC000012554439 553393124 /nfs/dbraw/zinc/39/31/24/553393124.db2.gz ZBLFRDYLSJPRPI-IBVKSMDESA-N 0 1 507.421 6.808 50 10 KKCAMN O=[N+]([O-])c1cc([C@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c4ccccc4[nH]c32)ccc1N1CCCC1 ZINC000012554440 553393216 /nfs/dbraw/zinc/39/32/16/553393216.db2.gz ZBLFRDYLSJPRPI-RXFWQSSRSA-N 0 1 507.421 6.808 50 10 KKCAMN O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)C1=CNc1ccc(Oc2ccccc2)cc1 ZINC000012960331 553430571 /nfs/dbraw/zinc/43/05/71/553430571.db2.gz KAVJIKBQMRDCNJ-XMHGGMMESA-N 0 1 545.905 5.032 50 10 KKCAMN O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc(Cl)cc(Cl)c3O)[C@H]2C(=O)N1c1cccc2ccccc21 ZINC000013804329 553491519 /nfs/dbraw/zinc/49/15/19/553491519.db2.gz HLDCJIGZVGRJGB-GIFXNVAJSA-N 0 1 505.357 5.903 50 10 KKCAMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(Cl)c(C)c1 ZINC000013899493 553495171 /nfs/dbraw/zinc/49/51/71/553495171.db2.gz XOWUEBSVXRGUSF-MOSHPQCFSA-N 0 1 513.377 5.230 50 10 KKCAMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccccc1Cl ZINC000013899165 553495178 /nfs/dbraw/zinc/49/51/78/553495178.db2.gz SYWBBXHMHSILFD-RGEXLXHISA-N 0 1 513.377 5.311 50 10 KKCAMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)NC1=S ZINC000018058681 553602527 /nfs/dbraw/zinc/60/25/27/553602527.db2.gz GLZRIXKKASLYMI-LDADJPATSA-N 0 1 500.805 5.033 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4ccc(CC)cc4)C3=O)c2C)cc1 ZINC000020192374 553606206 /nfs/dbraw/zinc/60/62/06/553606206.db2.gz LBCABXFCALEDNV-JLPGSUDCSA-N 0 1 501.608 5.505 50 10 KKCAMN CC[C@H]1CCCC[N@H+]1Cc1c([O-])ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)c(C(F)(F)F)oc21 ZINC000019789751 553616366 /nfs/dbraw/zinc/61/63/66/553616366.db2.gz MCBFEKSAJFSGNS-SFHVURJKSA-N 0 1 503.561 7.372 50 10 KKCAMN CC1=NN(c2ccccc2C)C(=O)C1=CNc1ccc(O)c(NC=C2C(=O)N(c3ccccc3C)N=C2C)c1 ZINC000095470884 553701352 /nfs/dbraw/zinc/70/13/52/553701352.db2.gz XKZOFPHXEWXVTQ-WPHIWBHXSA-N 0 1 520.593 5.446 50 10 KKCAMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1 ZINC000097966829 553910742 /nfs/dbraw/zinc/91/07/42/553910742.db2.gz PVDPAYYGPONEGD-UCQKPKSFSA-N 0 1 536.009 5.558 50 10 KKCAMN CCc1ccccc1N1C(=O)C(=Cc2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)C(=O)NC1=S ZINC000033333117 553921253 /nfs/dbraw/zinc/92/12/53/553921253.db2.gz MLRFEALJKFLAGV-JCMHNJIXSA-N 0 1 501.608 5.423 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000097968445 553932486 /nfs/dbraw/zinc/93/24/86/553932486.db2.gz LNUPYTDQFHEKQP-LZYBPNLTSA-N 0 1 539.271 7.379 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=S)N(c4cccc(OCC)c4)C3=O)c2-c2ccccc2)cc1 ZINC000033358403 553955449 /nfs/dbraw/zinc/95/54/49/553955449.db2.gz QQOLCOFIXZEJFE-JDCMOKTRSA-N 0 1 641.749 8.058 50 10 KKCAMN COc1ccc([C@@H]2CC(=O)Oc3cc(=O)c4c(O)cc(-c5ccc(O)c(O)c5)oc-4c32)cc1OCCc1ccc2c(c1)CCO2 ZINC000097971945 553964220 /nfs/dbraw/zinc/96/42/20/553964220.db2.gz ABESYBAHLMTJFN-QFIPXVFZSA-N 0 1 608.599 5.583 50 10 biogenic KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000100115318 554223196 /nfs/dbraw/zinc/22/31/96/554223196.db2.gz HOEBZSQYBQWWBW-ITYLOYPMSA-N 0 1 594.762 6.426 50 10 KKCAMN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000037345779 554234717 /nfs/dbraw/zinc/23/47/17/554234717.db2.gz OJPXQFHTCRVLBU-MKMNVTDBSA-N 0 1 501.767 5.131 50 10 KKCAMN CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(Br)cc4)c3C)C(=O)NC2=S)cc1 ZINC000100204413 554247793 /nfs/dbraw/zinc/24/77/93/554247793.db2.gz PQALYMWHQMCGPR-HMAPJEAMSA-N 0 1 524.440 5.087 50 10 KKCAMN COC(=O)c1ccc([C@H]2N=C(c3ccc(OC)cc3)C[C@H](c3cc(Br)cc(Br)c3O)N2)cc1 ZINC000053364127 554346657 /nfs/dbraw/zinc/34/66/57/554346657.db2.gz IDMLNEFDSBHAFS-VWNXMTODSA-N 0 1 574.269 5.935 50 10 KKCAMN O=C(NN1C(=O)/C(=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)SC1=S)c1cccs1 ZINC000100421915 554385762 /nfs/dbraw/zinc/38/57/62/554385762.db2.gz IUQPRVIQRCGMNZ-VCHYOVAHSA-N 0 1 551.549 6.014 50 10 KKCAMN CCc1cc2c(=O)c(Oc3cnn(-c4ccccc4)c3)c(C(F)(F)F)oc2c([C@H](c2ccccc2)[NH+]2CCN(C)CC2)c1[O-] ZINC000100739615 554462531 /nfs/dbraw/zinc/46/25/31/554462531.db2.gz KFNLGKMSQIAJTK-MHZLTWQESA-N 0 1 604.629 6.395 50 10 KKCAMN CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(Cc3ccccc3)CC2)SC1=S ZINC000100884289 554508096 /nfs/dbraw/zinc/50/80/96/554508096.db2.gz DHQHBKRQCVCDHT-SLSCBCEPSA-N 0 1 575.804 5.434 50 10 KKCAMN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000100931052 554527088 /nfs/dbraw/zinc/52/70/88/554527088.db2.gz GFTKQGOJYBKPHK-XSFVSMFZSA-N 0 1 545.846 5.622 50 10 KKCAMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1 ZINC000101148371 554656545 /nfs/dbraw/zinc/65/65/45/554656545.db2.gz YKQMYJKLWNDTRI-XSFVSMFZSA-N 0 1 545.846 5.622 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)N(C)C(=O)/C(=C\c3ccccc3Cl)S4)CC2)cc1 ZINC000101640523 554814287 /nfs/dbraw/zinc/81/42/87/554814287.db2.gz SUUHWCQSWNQATR-XHLNEMQHSA-N 0 1 577.150 5.400 50 10 KKCAMN CCC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Br)cc(Br)c2O)N3)C1 ZINC000102087561 554876776 /nfs/dbraw/zinc/87/67/76/554876776.db2.gz UHDKTRRTXGCXTQ-MLCYQJTMSA-N 0 1 528.310 6.949 50 10 KKCAMN CCCCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3c4ccc(OC)cc4C=C[C@@H]3[C@]23c2ccccc2NC3=O)cc1 ZINC000102474592 554936833 /nfs/dbraw/zinc/93/68/33/554936833.db2.gz QDRHTFDQEJVLLQ-IJIJIXBQSA-N 0 1 576.737 7.016 50 10 KKCAMN Cc1nn(-c2ccc(C)c(C)c2)c(C)c1N=Cc1c(C)[nH]n(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1=O ZINC000102572376 554971006 /nfs/dbraw/zinc/97/10/06/554971006.db2.gz BKCQARYXSLYCIR-DXJNIWACSA-N 0 1 533.720 7.292 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000103592898 555452699 /nfs/dbraw/zinc/45/26/99/555452699.db2.gz DCTXMHJXMOYLQV-XYGWBWBKSA-N 0 1 598.725 6.257 50 10 KKCAMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1c(Br)cc(Br)cc1Br ZINC000103877858 571368530 /nfs/dbraw/zinc/36/85/30/571368530.db2.gz TUDPIVGPTMRYTC-UKTHLTGXSA-N 0 1 514.015 5.693 50 10 KKCAMN CC1=NN(c2c(Cl)cc(Cl)cc2Cl)C(=O)C1=CNc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000108085492 571422219 /nfs/dbraw/zinc/42/22/19/571422219.db2.gz FDYJQUYBICWGGY-XSFVSMFZSA-N 0 1 549.867 5.844 50 10 KKCAMN COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3c(O)c(=O)c4c(O)cc(-c5ccccc5)oc-4c32)cc1 ZINC000108448393 571424296 /nfs/dbraw/zinc/42/42/96/571424296.db2.gz UEKYBLGEGGFLEF-QHCPKHFHSA-N 0 1 550.563 5.942 50 10 biogenic KKCAMN COc1ccc(CCOc2ccccc2[C@@H]2CC(=O)Oc3c(O)c(O)c4c(=O)cc(-c5ccccc5)oc4c32)cc1 ZINC000108448393 571424297 /nfs/dbraw/zinc/42/42/97/571424297.db2.gz UEKYBLGEGGFLEF-QHCPKHFHSA-N 0 1 550.563 5.942 50 10 biogenic KKCAMN COc1ccc(N2CCN(CCCN3C(=S)N(c4ccc(OC)c(Cl)c4)C(=O)[C@@H]3CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000150396259 571476423 /nfs/dbraw/zinc/47/64/23/571476423.db2.gz FPVSPCDYAOFYDD-NDEPHWFRSA-N 0 1 640.181 5.040 50 10 KKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(I)cc1 ZINC000150639549 571524660 /nfs/dbraw/zinc/52/46/60/571524660.db2.gz LGQKZHNVIXBZQD-UDWIEESQSA-N 0 1 637.268 5.603 50 10 KKCAMN CC(C)c1ccc2c(c1)[C@H](OCCN1CCN([C@H]3Cc4ccc(F)cc4Sc4ccc(C(C)C)cc43)CC1)Cc1ccc(F)cc1S2 ZINC000153632817 571529481 /nfs/dbraw/zinc/52/94/81/571529481.db2.gz RTLRVSHZJUJWRW-MPQUPPDSSA-N 0 1 670.935 10.043 50 10 KKCAMN CC(C)c1ccc2c(c1)[C@@H](OCCN1CCN([C@H]3Cc4ccc(F)cc4Sc4ccc(C(C)C)cc43)CC1)Cc1ccc(F)cc1S2 ZINC000153633036 571529544 /nfs/dbraw/zinc/52/95/44/571529544.db2.gz RTLRVSHZJUJWRW-ZPGRZCPFSA-N 0 1 670.935 10.043 50 10 KKCAMN COc1ccc(-c2oc3c(oc(C)cc3=O)c2CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCCCC2)cc1 ZINC000824692123 1071285400 /nfs/dbraw/zinc/28/54/00/1071285400.db2.gz PCPNHLJOEKUNCR-MHZLTWQESA-N 0 1 543.664 5.322 50 10 KKCAMN CCOC(=O)c1oc2c(cc(CC)c([O-])c2C[N@H+]2CCC[C@H](C)C2)c(=O)c1-c1nc2ccccc2s1 ZINC000001816795 551707863 /nfs/dbraw/zinc/70/78/63/551707863.db2.gz QWSMCSSCNFKCRH-INIZCTEOSA-N 0 1 506.624 5.746 50 10 KKCAMN CC(C)(C)c1ccc(OCCCn2cc(/C=C3/C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)cc1 ZINC000002224558 551796680 /nfs/dbraw/zinc/79/66/80/551796680.db2.gz RCXNLKCNVZCBHP-ITYLOYPMSA-N 0 1 525.605 5.663 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000002914924 552216128 /nfs/dbraw/zinc/21/61/28/552216128.db2.gz IQFUTXKTBXGIKX-WGOQTCKBSA-N 0 1 512.034 6.246 50 10 KKCAMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc(I)c1OC ZINC000002915987 552217025 /nfs/dbraw/zinc/21/70/25/552217025.db2.gz PIICNXWVPADLNM-RIYZIHGNSA-N 0 1 542.782 5.024 50 10 KKCAMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)O[C@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)c1 ZINC000003390294 552379173 /nfs/dbraw/zinc/37/91/73/552379173.db2.gz ZOUCXHAWVJREMO-HXUWFJFHSA-N 0 1 567.063 5.985 50 10 KKCAMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1ccccc1 ZINC000006474185 552592196 /nfs/dbraw/zinc/59/21/96/552592196.db2.gz YKWSHLPFCPRKHO-MTDXEUNCSA-N 0 1 594.523 7.949 50 10 KKCAMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000008397879 552997819 /nfs/dbraw/zinc/99/78/19/552997819.db2.gz GJZXNAROXHYYGE-XKZIYDEJSA-N 0 1 508.441 5.305 50 10 KKCAMN CC(C)(c1ccccc1)c1ccc(OCCOc2ccc(/C=C3\C(=O)NN(c4ccccc4)C3=O)cc2)cc1 ZINC000008495286 553077101 /nfs/dbraw/zinc/07/71/01/553077101.db2.gz SAMUSCRIVAAVJL-JJKYIXSRSA-N 0 1 518.613 5.932 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCCOc1ccc(C)cc1C ZINC000008495276 553077150 /nfs/dbraw/zinc/07/71/50/553077150.db2.gz ZTLOUMHRDFJULK-PXLXIMEGSA-N 0 1 506.986 5.275 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000008738201 553130686 /nfs/dbraw/zinc/13/06/86/553130686.db2.gz WWJHOQRFSSOSBN-BUVRLJJBSA-N 0 1 501.608 5.559 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000008986556 553196617 /nfs/dbraw/zinc/19/66/17/553196617.db2.gz PTEARRHSYQQEHF-MOSHPQCFSA-N 0 1 500.511 5.409 50 10 KKCAMN CCOC(=O)c1c(-c2ccc(Br)cc2)csc1N=Cc1c(C)[nH]n(-c2ccccc2)c1=O ZINC000009301240 553236018 /nfs/dbraw/zinc/23/60/18/553236018.db2.gz PQIMDMRQUKTHFG-CPNJWEJPSA-N 0 1 510.413 6.073 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1 ZINC000009333918 553242878 /nfs/dbraw/zinc/24/28/78/553242878.db2.gz FAHJMBZZKBZPHU-NCELDCMTSA-N 0 1 500.595 5.302 50 10 KKCAMN Cc1ccc(C(C)C)c(OCCn2cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c3ccccc32)c1 ZINC000013685893 553485365 /nfs/dbraw/zinc/48/53/65/553485365.db2.gz CGFHEMGVRYZUBU-XYGWBWBKSA-N 0 1 511.578 6.247 50 10 KKCAMN CC[C@H]1CCCC[NH+]1Cc1c([O-])c(C[N@@H+]2CCCC[C@@H]2CC)c([O-])c2c(=O)cc(-c3ccccc3)oc12 ZINC000020113033 553695080 /nfs/dbraw/zinc/69/50/80/553695080.db2.gz DYXAVASMACJLPD-GOTSBHOMSA-N 0 1 504.671 6.400 50 10 biogenic KKCAMN CC[C@H]1CCCC[NH+]1Cc1c([O-])c(C[N@@H+]2CCCC[C@@H]2CC)c2oc(-c3ccccc3)cc(=O)c2c1[O-] ZINC000020113033 553695083 /nfs/dbraw/zinc/69/50/83/553695083.db2.gz DYXAVASMACJLPD-GOTSBHOMSA-N 0 1 504.671 6.400 50 10 biogenic KKCAMN CC[C@H]1CCCC[NH+]1Cc1c([O-])c(C[N@H+]2CCCC[C@@H]2CC)c2oc(-c3ccccc3)cc(=O)c2c1[O-] ZINC000020113033 553695087 /nfs/dbraw/zinc/69/50/87/553695087.db2.gz DYXAVASMACJLPD-GOTSBHOMSA-N 0 1 504.671 6.400 50 10 biogenic KKCAMN CC[C@@H]1CCCC[N@H+]1Cc1c([O-])c(C[NH+]2CCCC[C@@H]2CC)c2oc(-c3ccccc3)cc(=O)c2c1[O-] ZINC000020113031 553695139 /nfs/dbraw/zinc/69/51/39/553695139.db2.gz DYXAVASMACJLPD-PKTZIBPZSA-N 0 1 504.671 6.400 50 10 biogenic KKCAMN CC[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@@H+]2CCCC[C@@H]2CC)c2oc(-c3ccccc3)cc(=O)c2c1[O-] ZINC000020113031 553695142 /nfs/dbraw/zinc/69/51/42/553695142.db2.gz DYXAVASMACJLPD-PKTZIBPZSA-N 0 1 504.671 6.400 50 10 biogenic KKCAMN CC[C@@H]1CCCC[NH+]1Cc1c([O-])c(C[N@H+]2CCCC[C@@H]2CC)c2oc(-c3ccccc3)cc(=O)c2c1[O-] ZINC000020113031 553695145 /nfs/dbraw/zinc/69/51/45/553695145.db2.gz DYXAVASMACJLPD-PKTZIBPZSA-N 0 1 504.671 6.400 50 10 biogenic KKCAMN CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c(O)c3oc1c2-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000095476105 553701749 /nfs/dbraw/zinc/70/17/49/553701749.db2.gz PRCZIORMPVGURA-UHFFFAOYSA-N 0 1 503.599 6.996 50 10 KKCAMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCCOc1ccc(C2CCCCC2)cc1 ZINC000097957863 553849031 /nfs/dbraw/zinc/84/90/31/553849031.db2.gz OVQVLDHBXUVGIB-ZXVVBBHZSA-N 0 1 605.529 6.815 50 10 KKCAMN CC[C@H](C)c1ccc(OCCOc2ccc(Br)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000097959081 553860349 /nfs/dbraw/zinc/86/03/49/553860349.db2.gz JKNMRAPAZIFPGN-YSRPOPIVSA-N 0 1 535.438 5.882 50 10 KKCAMN CCOc1ccc(N2C(=O)C(=Cc3cc(C)n(-c4sc5c(c4C(=O)Nc4ccccc4)CCCC5)c3C)C(=O)NC2=S)cc1 ZINC000097960876 553874092 /nfs/dbraw/zinc/87/40/92/553874092.db2.gz MCWLUIONENXHTF-DIBXZPPDSA-N 0 1 624.788 7.357 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=S)N(c4cccc(Cl)c4Cl)C3=O)c2-c2ccccc2)cc1 ZINC000097960959 553874357 /nfs/dbraw/zinc/87/43/57/553874357.db2.gz HFFXIUUYTFIGNT-OOAXWGSJSA-N 0 1 666.586 8.966 50 10 KKCAMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=Cc1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 ZINC000097960960 553874389 /nfs/dbraw/zinc/87/43/89/553874389.db2.gz PVTLXHJOZYATEG-MFOYZWKCSA-N 0 1 627.262 6.988 50 10 KKCAMN Cc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)n1-c1ccc(I)c(C)c1 ZINC000097966255 553907817 /nfs/dbraw/zinc/90/78/17/553907817.db2.gz LKSWHRMNHPFLMK-MOSHPQCFSA-N 0 1 541.414 5.679 50 10 KKCAMN CCOC(=O)c1ccc(-n2c(-c3ccccc3)cc(C=C3C(=O)NC(=O)N(C)C3=O)c2-c2ccccc2)cc1 ZINC000033343248 553921850 /nfs/dbraw/zinc/92/18/50/553921850.db2.gz YRPAHHYUNNNCNV-BWAHOGKJSA-N 0 1 519.557 5.920 50 10 KKCAMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000033353925 553927534 /nfs/dbraw/zinc/92/75/34/553927534.db2.gz OMNYSVUSVNRMPZ-LFIBNONCSA-N 0 1 531.443 6.217 50 10 KKCAMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)c(C)n1-c1ccc(I)cc1 ZINC000100115290 554222939 /nfs/dbraw/zinc/22/29/39/554222939.db2.gz KDALHQUGRZAGJO-VCHYOVAHSA-N 0 1 596.277 5.837 50 10 KKCAMN Cc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)c(Br)c3)C(=O)NC2=S)cc1 ZINC000100137592 554226964 /nfs/dbraw/zinc/22/69/64/554226964.db2.gz YTUKPCDESXVQNN-NDENLUEZSA-N 0 1 525.399 5.307 50 10 KKCAMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc(Br)c1O ZINC000038185439 554274115 /nfs/dbraw/zinc/27/41/15/554274115.db2.gz RQZDRTVZZYZJCP-WMZJFQQLSA-N 0 1 502.173 5.142 50 10 KKCAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000100574914 554422711 /nfs/dbraw/zinc/42/27/11/554422711.db2.gz FCHGSGIRSJAGBI-PKTZIBPZSA-N 0 1 563.268 6.427 50 10 KKCAMN Cc1ccc(N2C(=O)C(N3C(=O)c4c(c(Cl)c(Cl)c(Cl)c4Cl)C3=O)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000100574920 554422752 /nfs/dbraw/zinc/42/27/52/554422752.db2.gz FCHGSGIRSJAGBI-DHIUTWEWSA-N 0 1 563.268 6.427 50 10 KKCAMN Cc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1 ZINC000100762035 554467653 /nfs/dbraw/zinc/46/76/53/554467653.db2.gz DMRQFIZEEYVIHV-NRUOGFOHSA-N 0 1 581.767 5.288 50 10 KKCAMN COc1cc(Br)c(Br)c([C@@H]2Nc3sc4c(c3C(=O)N2)CCN(C(C)C)C4)c1O ZINC000102096639 554879383 /nfs/dbraw/zinc/87/93/83/554879383.db2.gz NRTXPMMMZHNIJA-KRWDZBQOSA-N 0 1 531.270 5.183 50 10 KKCAMN CN(C)c1ccc([C@H]2C3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 ZINC000102647529 554993475 /nfs/dbraw/zinc/99/34/75/554993475.db2.gz IHWPFLFAZMAMON-NDEPHWFRSA-N 0 1 549.502 8.557 50 10 KKCAMN COc1ccc(N2CCN(CCCNC(=O)c3ccc4c(c3)N(Cc3cccc(C)c3)C(=O)/C(=C/c3ccccc3)S4)CC2)cc1 ZINC000102787840 555068347 /nfs/dbraw/zinc/06/83/47/555068347.db2.gz OZNJSWHDZNJELJ-LAKKEJQSSA-N 0 1 632.830 6.626 50 10 KKCAMN COc1cc(NC(=O)C(=NNc2ccc(-c3ccc(N=N[C@H](C(C)=O)C(=O)Nc4ccc(C)cc4C)c(Cl)c3)cc2Cl)C(C)=O)c(OC)cc1Cl ZINC000150348891 571461300 /nfs/dbraw/zinc/46/13/00/571461300.db2.gz CTCGHGAGCLXAHB-UZTGCPOJSA-N 0 1 752.055 9.308 50 10 KKCAMN CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(OC)c(Cl)c3)C(=S)N2CCCN2CCN(c3ccc(OC)cc3)CC2)cc1 ZINC000150396123 571476304 /nfs/dbraw/zinc/47/63/04/571476304.db2.gz SVQIBCVSSBRPSK-HKBQPEDESA-N 0 1 680.271 5.689 50 10 KKCAMN COc1ccc(N2CCN(CCCN3C(=S)N(c4ccc(OC)c(Cl)c4)C(=O)[C@H]3CC(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000150396257 571476351 /nfs/dbraw/zinc/47/63/51/571476351.db2.gz FPVSPCDYAOFYDD-MUUNZHRXSA-N 0 1 640.181 5.040 50 10 KKCAMN