smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000006135446 193880688 /nfs/dbraw/zinc/88/06/88/193880688.db2.gz STOWDWXVIRGYIW-UHFFFAOYSA-N 0 0 449.579 6.580 40 30 IKEBRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1C ZINC000006280397 193895189 /nfs/dbraw/zinc/89/51/89/193895189.db2.gz OPKOBAVUMQGNTL-UHFFFAOYSA-N 0 0 449.579 6.635 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000408604171 193973319 /nfs/dbraw/zinc/97/33/19/193973319.db2.gz TYQCZPDMIUXFOO-VCHYOVAHSA-N 0 0 433.291 6.284 40 30 IKEBRN C#CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc21 ZINC000226360176 518295085 /nfs/dbraw/zinc/29/50/85/518295085.db2.gz ZDHSUSJQRRGKFY-UHFFFAOYSA-N 0 0 445.110 5.217 40 30 IKEBRN C(=N/N(Cc1ccccc1)CN(Cc1ccccc1)/N=C\c1ccccc1)\c1ccccc1 ZINC000017424917 518375411 /nfs/dbraw/zinc/37/54/11/518375411.db2.gz SFCSLWUSEWVDOK-ZWDAMSNJSA-N 0 0 432.571 6.017 40 30 IKEBRN C(=N\N1CCN(/N=C\c2ccc(-c3ccccc3)cc2)CC1)\c1ccc(-c2ccccc2)cc1 ZINC000031670187 518380115 /nfs/dbraw/zinc/38/01/15/518380115.db2.gz NVZHXALZPYSPSN-PUHRYQSPSA-N 0 0 444.582 6.006 40 30 IKEBRN CC(=NNc1cc(C)c2cc(Cl)ccc2n1)c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000023224100 518465328 /nfs/dbraw/zinc/46/53/28/518465328.db2.gz LAVWSFFIODXKDX-WPWMEQJKSA-N 0 0 436.943 5.034 40 30 IKEBRN C=CCC(C(=O)Nc1ccc(OC)c(C(F)(F)F)c1)(c1ccccc1)c1ccccc1 ZINC000225956170 518685386 /nfs/dbraw/zinc/68/53/86/518685386.db2.gz UOALXECKXGSZJR-UHFFFAOYSA-N 0 0 425.450 6.215 40 30 IKEBRN C=CCC1(O)C(c2ccccc2)=C(c2ccccc2)C(c2ccccc2)=C1c1ccccc1 ZINC000001596367 518691089 /nfs/dbraw/zinc/69/10/89/518691089.db2.gz NEDCVYRPTZJRGF-UHFFFAOYSA-N 0 0 426.559 7.529 40 30 IKEBRN C=CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224619094 518803461 /nfs/dbraw/zinc/80/34/61/518803461.db2.gz IBTCEMBUJAHQHO-UHFFFAOYSA-N 0 0 441.163 5.690 40 30 IKEBRN C=CCN(c1ccc(C(=O)OCC)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224944487 518808729 /nfs/dbraw/zinc/80/87/29/518808729.db2.gz YDKUOCWWJKDMPX-UHFFFAOYSA-N 0 0 448.755 5.205 40 30 IKEBRN C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224937258 518811193 /nfs/dbraw/zinc/81/11/93/518811193.db2.gz FWCJROPIBCPUOY-UHFFFAOYSA-N 0 0 444.689 6.047 40 30 IKEBRN C=CCN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224630273 518812839 /nfs/dbraw/zinc/81/28/39/518812839.db2.gz RZZCGYPEXNOMBV-UHFFFAOYSA-N 0 0 430.353 5.171 40 30 IKEBRN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2ncccc2c1 ZINC000006136064 518829972 /nfs/dbraw/zinc/82/99/72/518829972.db2.gz UPCHTFZTFAPMCZ-JXAXBCJLSA-N 0 0 430.558 5.395 40 30 IKEBRN C=CCN1c2ccc(Br)cc2C(C)(C)[C@]12C=Cc1c(ccc3ccccc31)O2 ZINC000016605532 518874764 /nfs/dbraw/zinc/87/47/64/518874764.db2.gz VVYGYEBVKIEEHJ-RUZDIDTESA-N 0 0 432.361 6.688 40 30 IKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC)c(OCC)c1 ZINC000020672317 518973180 /nfs/dbraw/zinc/97/31/80/518973180.db2.gz YXSSLCVJNOHAEP-DEOSSOPVSA-N 0 0 447.535 5.242 40 30 IKEBRN C=CCSc1nc(C)c(C(=O)Nc2ccccc2C)c(-c2cccc(Cl)c2)c1C#N ZINC000013027714 519080176 /nfs/dbraw/zinc/08/01/76/519080176.db2.gz GXMHBOXTCJMIPF-UHFFFAOYSA-N 0 0 433.964 6.421 40 30 IKEBRN C=CCn1c(-c2ccccc2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000020806333 519149889 /nfs/dbraw/zinc/14/98/89/519149889.db2.gz MDIWFEWMDKODDJ-QPLCGJKRSA-N 0 0 427.577 5.620 40 30 IKEBRN C=CCn1c(COc2ccc(Cl)c(Cl)c2)nnc1SCc1ccc(Cl)cc1 ZINC000032604818 519184933 /nfs/dbraw/zinc/18/49/33/519184933.db2.gz MZLGUCQSCPGSLF-UHFFFAOYSA-N 0 0 440.783 6.296 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000013850569 519214690 /nfs/dbraw/zinc/21/46/90/519214690.db2.gz WQFLLAPHCHUQON-SFHVURJKSA-N 0 0 436.581 5.458 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(F)cc1 ZINC000014081659 519222041 /nfs/dbraw/zinc/22/20/41/519222041.db2.gz VHVSOSDORKBQEH-UHFFFAOYSA-N 0 0 437.327 5.308 40 30 IKEBRN CC(=O)NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1 ZINC000016139103 519640734 /nfs/dbraw/zinc/64/07/34/519640734.db2.gz JIYMAISFUGBHTQ-AFUMVMLFSA-N 0 0 437.952 5.220 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5cnn(C)c5C)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252489249 519757807 /nfs/dbraw/zinc/75/78/07/519757807.db2.gz JMQZWPIAQPSGBR-CRHNCYMYSA-N 0 0 436.596 5.185 40 30 IKEBRN CC(C)c1ccc2nc(SCC(=O)NCCc3c[nH]c4ccccc34)c(C#N)cc2c1 ZINC000035288921 519840771 /nfs/dbraw/zinc/84/07/71/519840771.db2.gz BBXJOCZXMBGFQQ-UHFFFAOYSA-N 0 0 428.561 5.162 40 30 IKEBRN CCCC/N=C1\S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)N1CCCC ZINC000012275046 519887000 /nfs/dbraw/zinc/88/70/00/519887000.db2.gz WUCQTZOFAOHSIX-OCIPIQTLSA-N 0 0 427.526 5.727 40 30 IKEBRN CCCC/C=C/CCCCCCCCCCCCC=C1C(=O)C(=O)C(C)C(OC)C1=O ZINC000100179921 519887097 /nfs/dbraw/zinc/88/70/97/519887097.db2.gz REGDQUCFNLAVKM-BQYQJAHWSA-N 0 0 432.645 7.688 40 30 IKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OCC(C)(C)N1C(=O)CCC1=O ZINC000104260093 519969421 /nfs/dbraw/zinc/96/94/21/519969421.db2.gz XIWRQRBDFCEUTH-QXMHVHEDSA-N 0 0 435.649 6.495 40 30 IKEBRN CCCCCCCCCCCCC/C=C/[C@H](O)[C@@H](CO)NC(=O)CCCCCCC ZINC000085605890 519985389 /nfs/dbraw/zinc/98/53/89/519985389.db2.gz APDLCSPGWPLYEQ-FGQHXKCXSA-N 0 0 425.698 6.442 40 30 IKEBRN CCCCCCCCCCCCC/C=C/[C@@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CO ZINC000103676997 519986186 /nfs/dbraw/zinc/98/61/86/519986186.db2.gz CTHUQQFNFRTUSM-LABVOHSBSA-N 0 0 439.681 6.977 40 30 IKEBRN CCCCCCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC ZINC000100306513 519990362 /nfs/dbraw/zinc/99/03/62/519990362.db2.gz KRNHORKJCBJXKK-UHFFFAOYSA-N 0 0 441.653 5.859 40 30 IKEBRN CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC(C)=O)OC(C)=O ZINC000085480146 519992437 /nfs/dbraw/zinc/99/24/37/519992437.db2.gz WSYNAKWAAXYNMW-DEOSSOPVSA-N 0 0 442.637 6.286 40 30 in-man IKEBRN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](COC(C)=O)OC(C)=O ZINC000085480145 519992940 /nfs/dbraw/zinc/99/29/40/519992940.db2.gz WSYNAKWAAXYNMW-XMMPIXPASA-N 0 0 442.637 6.286 40 30 in-man IKEBRN CCCCCCCCCCCCCCCCCC(=O)OCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] ZINC000104049171 519993385 /nfs/dbraw/zinc/99/33/85/519993385.db2.gz LHTKCTXMJYZHQD-UHFFFAOYSA-N 0 0 447.529 5.275 40 30 IKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1cccc(C)c1 ZINC000104380091 519993857 /nfs/dbraw/zinc/99/38/57/519993857.db2.gz JWEMYCAGTVOBFN-RMLRFSFXSA-N 0 0 445.761 8.055 40 30 IKEBRN CCCCCCCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(C=O)cc2)cc1 ZINC000101005033 520012285 /nfs/dbraw/zinc/01/22/85/520012285.db2.gz WORGVSKHHGIMMC-LTGZKZEYSA-N 0 0 436.592 7.418 40 30 IKEBRN CCCCCCCCCCOc1ccc(/C=N/c2ccc(/C=C/C(=O)OCC)cc2)cc1 ZINC000068569038 520021917 /nfs/dbraw/zinc/02/19/17/520021917.db2.gz LUFOQBNRKIKXAQ-ZNAULMSRSA-N 0 0 435.608 7.533 40 30 IKEBRN CCCCCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(O)cc3)cc2)cc1 ZINC000059608438 520022119 /nfs/dbraw/zinc/02/21/19/520022119.db2.gz BNVZUAQPHULZSN-UHFFFAOYSA-N 0 0 446.587 7.798 40 30 IKEBRN CCCCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)cc1Cl ZINC000068568978 520022199 /nfs/dbraw/zinc/02/21/99/520022199.db2.gz XNPSICOEIMXVHK-ZQHSETAFSA-N 0 0 429.048 9.618 40 30 IKEBRN CCCCCCCCOc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000101016014 520042911 /nfs/dbraw/zinc/04/29/11/520042911.db2.gz BMJZRDCNJYOZLV-RELWKKBWSA-N 0 0 431.667 6.960 40 30 IKEBRN CCCCCCCCc1ccc(/N=N/c2ccc(OC(=O)CCCCCCC)cc2)cc1 ZINC000068568998 520049503 /nfs/dbraw/zinc/04/95/03/520049503.db2.gz VEZWOLSTHKBNCY-QVIHXGFCSA-N 0 0 436.640 9.271 40 30 IKEBRN CCC(C)N=Nc1nc2c(s1)c(Cl)c1nc(N=NC(C)CC)sc1c2Cl ZINC000072228982 520181421 /nfs/dbraw/zinc/18/14/21/520181421.db2.gz WJWKHKHXPHYXOC-OXGXFOOWSA-N 0 0 429.402 6.608 40 30 IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3ccc(Cl)c(C)c3)c(C)c2s1 ZINC000072228837 520184801 /nfs/dbraw/zinc/18/48/01/520184801.db2.gz KBIYHEUMJCNKTA-WGARJPEWSA-N 0 0 444.988 6.090 40 30 IKEBRN CC/N=c1\scc(-c2ccc(OC)cc2)n1/N=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000012604070 520210833 /nfs/dbraw/zinc/21/08/33/520210833.db2.gz QEDIXCQTBQPPSU-LIDOXOPQSA-N 0 0 448.504 5.196 40 30 IKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/C=N\c3cccc4ccccc43)cc2)cc1 ZINC000019118351 520253636 /nfs/dbraw/zinc/25/36/36/520253636.db2.gz JFHZPJRQSGWFOV-OFWBYEQRSA-N 0 0 437.539 7.379 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(CC(=O)N1CCCCC1)[C@H]2c1ccccc1 ZINC000010343846 520264517 /nfs/dbraw/zinc/26/45/17/520264517.db2.gz STYSSPCPHAIVNH-MHZLTWQESA-N 0 0 443.591 5.316 40 30 IKEBRN CCCOc1ccc(/C=N/N=C/c2ccc(OCCC)cc2OCCC)c(OCCC)c1 ZINC000012601207 520321733 /nfs/dbraw/zinc/32/17/33/520321733.db2.gz QWEXSOKEUZYFCL-MKYUKRCKSA-N 0 0 440.584 6.295 40 30 IKEBRN CCOC(=O)/C(=C/NC(=S)Nc1c(CC)cccc1C(C)(C)C)C(=O)c1ccccc1 ZINC000102934238 520392884 /nfs/dbraw/zinc/39/28/84/520392884.db2.gz JDKNOSQTBVKGBE-KNTRCKAVSA-N 0 0 438.593 5.163 40 30 IKEBRN CCOC(=O)/C(=C\c1ccc(-c2ccc(Br)cc2)o1)C(=O)c1ccccc1 ZINC000013476249 520393521 /nfs/dbraw/zinc/39/35/21/520393521.db2.gz YXMGRHSZZFWEFN-RGEXLXHISA-N 0 0 425.278 5.539 40 30 IKEBRN CCOC(=O)/C(=N\Nc1cccc(C(F)(F)F)c1)N(C1CCCCC1)C1CCCCC1 ZINC000060297755 520395875 /nfs/dbraw/zinc/39/58/75/520395875.db2.gz PGVMYKARINOPLB-SGWCAAJKSA-N 0 0 439.522 5.961 40 30 IKEBRN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc(C)cc1 ZINC000013303907 520554905 /nfs/dbraw/zinc/55/49/05/520554905.db2.gz PARCEWYDERHZNB-ZMPCKTLKSA-N 0 0 439.606 5.778 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N/c3ccccc3)NC2=O)ccc1OC(=O)c1ccccc1 ZINC000013602869 520631163 /nfs/dbraw/zinc/63/11/63/520631163.db2.gz RYESILVHBIXAHY-JWGURIENSA-N 0 0 444.512 5.196 40 30 IKEBRN CC1(C)[C@H](C=C(Br)Br)[C@@H]1O[C@@H](C#N)c1cnc2ccccc2c1 ZINC000035181706 520650640 /nfs/dbraw/zinc/65/06/40/520650640.db2.gz LAVBPVFCUCRKLJ-KMFMINBZSA-N 0 0 436.147 5.472 40 30 IKEBRN CCCCOC(=O)C(O)=C(C[C@@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C ZINC000102977268 520700639 /nfs/dbraw/zinc/70/06/39/520700639.db2.gz ICLAEGNEUPSKPX-DNQXCXABSA-N 0 0 448.559 5.036 40 30 IKEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000013914184 520785514 /nfs/dbraw/zinc/78/55/14/520785514.db2.gz AARDTOBHCWYFIL-OAQYLSRUSA-N 0 0 449.334 5.188 40 30 IKEBRN CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(OC(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001098255 520815474 /nfs/dbraw/zinc/81/54/74/520815474.db2.gz NNALQVPNWYVIHB-LJQANCHMSA-N 0 0 433.495 5.234 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc1OC ZINC000012412014 520849518 /nfs/dbraw/zinc/84/95/18/520849518.db2.gz UJPJRKNWBKBOKH-AOUVVKEYSA-N 0 0 436.577 6.031 40 30 IKEBRN CCN(CC)c1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 ZINC000020602268 520882353 /nfs/dbraw/zinc/88/23/53/520882353.db2.gz XLLVCEWUWMRFCJ-QYVZOCOESA-N 0 0 443.635 6.570 40 30 IKEBRN CCN(CC)c1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)c(O)c1 ZINC000000833257 520888784 /nfs/dbraw/zinc/88/87/84/520888784.db2.gz PMCRJTFVOVUTQF-UHFFFAOYSA-N 0 0 437.580 5.639 40 30 IKEBRN CCCCSC(=O)[C@@]1(C)CC[C@H]2[C@H](CC=C3C[C@@H](OC(C)=O)CC[C@@]32C)[C@@H]1CC#N ZINC000008616313 520942265 /nfs/dbraw/zinc/94/22/65/520942265.db2.gz JFFSTLYNUSZJBJ-BKWLFHPQSA-N 0 0 431.642 6.061 40 30 IKEBRN CCC(N=Nc1cccc(C(F)(F)F)c1)=C(CC)NNc1cccc(C(F)(F)F)c1 ZINC000012659603 521066636 /nfs/dbraw/zinc/06/66/36/521066636.db2.gz NMJGTMPKXBHQCK-YAGSLNJISA-N 0 0 430.396 6.780 40 30 IKEBRN CCC(=O)Nc1ccc(/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000016609914 521199111 /nfs/dbraw/zinc/19/91/11/521199111.db2.gz BADJJXSCUWUNNW-VULFUBBASA-N 0 0 427.331 6.672 40 30 IKEBRN CCC(=O)Oc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)cc1OC ZINC000013564280 521234456 /nfs/dbraw/zinc/23/44/56/521234456.db2.gz IDZWMOJSYYQDJD-VWLOTQADSA-N 0 0 427.500 5.728 40 30 IKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cc(C(C)C)c(O)cc1C ZINC000013306310 521513180 /nfs/dbraw/zinc/51/31/80/521513180.db2.gz JRCSBPUQZUADDP-ZMPCKTLKSA-N 0 0 439.606 5.818 40 30 IKEBRN CCN1C(=O)C(=C2SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c2cc([N+](=O)[O-])ccc21 ZINC000015015740 521515575 /nfs/dbraw/zinc/51/55/75/521515575.db2.gz VVPTZVUPDBCKER-MSUUIHNZSA-N 0 0 442.884 5.025 40 30 IKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OC(C)=O ZINC000033511869 521971631 /nfs/dbraw/zinc/97/16/31/521971631.db2.gz LCIYFIZWHQTBJU-JTUXUYRKSA-N 0 0 444.512 5.429 40 30 IKEBRN COc1cc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)ccc1OCc1ccccc1 ZINC000012648498 521987331 /nfs/dbraw/zinc/98/73/31/521987331.db2.gz SZXSHNPTJPJYAG-BSFXODIDSA-N 0 0 448.522 5.980 40 30 IKEBRN COc1cc(C=NNc2cc(C(F)(F)F)ccc2Cl)ccc1OCc1ccccc1 ZINC000012570363 521993152 /nfs/dbraw/zinc/99/31/52/521993152.db2.gz XBUGMOZCSDMWES-UVHMKAGCSA-N 0 0 434.845 6.392 40 30 IKEBRN CN(C)c1ccc(/C=N/c2ccc3c(c2)/C(=C\c2ccc(N(C)C)cc2)c2ccccc2-3)cc1 ZINC000001608832 522135636 /nfs/dbraw/zinc/13/56/36/522135636.db2.gz MRDRCYQHHJZNJG-BPEYOLBESA-N 0 0 443.594 7.139 40 30 IKEBRN COC1=C(C(c2ccc3c(c2)OCO3)C2=C(OC)CC(C)(C)CC2=O)C(=O)CC(C)(C)C1 ZINC000001585706 522648844 /nfs/dbraw/zinc/64/88/44/522648844.db2.gz IHYGPCJSHAOBRX-UHFFFAOYSA-N 0 0 440.536 5.078 40 30 IKEBRN COc1cc([N+](=O)[O-])ccc1/N=C\c1ccc(/C=N\c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000104209214 522972209 /nfs/dbraw/zinc/97/22/09/522972209.db2.gz HFSFGVIBVDLEPX-GACBQCINSA-N 0 0 434.408 5.021 40 30 IKEBRN CCn1c2ccccc2c2cc(/N=C/c3cc(Br)ccc3OC(F)F)ccc21 ZINC000102940640 523275377 /nfs/dbraw/zinc/27/53/77/523275377.db2.gz TXWQAYMRGZAJGX-LGJNPRDNSA-N 0 0 443.291 6.929 40 30 IKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4cc(C)ccc4C)c3C)C2=O)c2ccccc21 ZINC000028182547 523307374 /nfs/dbraw/zinc/30/73/74/523307374.db2.gz ATJSAJFWWHJFQK-DICXZTSXSA-N 0 0 437.539 6.782 40 30 IKEBRN COc1ccc(-n2c(=S)ss/c2=N\C(=N/c2ccc(C)cc2)c2ccccc2)cc1 ZINC000016291568 523310800 /nfs/dbraw/zinc/31/08/00/523310800.db2.gz VZICHORWUKWPDI-NUJSLWOLSA-N 0 0 449.626 6.326 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1OC ZINC000008820740 523427684 /nfs/dbraw/zinc/42/76/84/523427684.db2.gz DVNKRYDWMOKYOQ-PXNMLYILSA-N 0 0 442.846 5.268 40 30 IKEBRN COc1ccc(/C=C\C(=O)OCCOc2ccc(/C=C\C(=O)c3ccccc3)cc2)cc1 ZINC000013406640 523433590 /nfs/dbraw/zinc/43/35/90/523433590.db2.gz OFMZLJFYBQURED-WHYMJUELSA-N 0 0 428.484 5.227 40 30 IKEBRN 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ZINC000013567793 524115168 /nfs/dbraw/zinc/11/51/68/524115168.db2.gz KLYMENMPORLGTF-INIZCTEOSA-N 0 0 439.939 5.521 40 30 IKEBRN Cc1cccc(/N=C2/Sc3nc4cc(C)c(C)cc4cc3CN2CCN2CCOCC2)c1 ZINC000013562181 524154830 /nfs/dbraw/zinc/15/48/30/524154830.db2.gz NYSVQHZAZUFJAQ-CYYJNZCTSA-N 0 0 446.620 5.088 40 30 IKEBRN COc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S1 ZINC000008821221 524328092 /nfs/dbraw/zinc/32/80/92/524328092.db2.gz KSNPOQCJJPGWHL-WOJGMQOQSA-N 0 0 445.327 6.154 40 30 IKEBRN Cc1cc(C)c2nc(NCCCNC(=O)Nc3ccccc3C(F)(F)F)c(C#N)cc2c1 ZINC000035312786 524352585 /nfs/dbraw/zinc/35/25/85/524352585.db2.gz YMVHJUOVWIYZOK-UHFFFAOYSA-N 0 0 441.457 5.366 40 30 IKEBRN Cc1cc(Cl)cc2c1C(=O)/C(=C1/c3ccc(Cl)c4c3c(ccc4Cl)C1=O)S2 ZINC000008870396 524875761 /nfs/dbraw/zinc/87/57/61/524875761.db2.gz PFLRZHFQASKZHJ-HEHNFIMWSA-N 0 0 431.727 7.004 40 30 IKEBRN Cc1cc(N=NCc2ccc(Br)cc2)nc(-c2ccc(Br)cc2)n1 ZINC000013563077 525043067 /nfs/dbraw/zinc/04/30/67/525043067.db2.gz WKUWHZYCEIXCHL-SRZZPIQSSA-N 0 0 446.146 5.423 40 30 IKEBRN COc1ccc([C@@H]2CC(=O)N(c3cccc(C)c3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567787 525235871 /nfs/dbraw/zinc/23/58/71/525235871.db2.gz MWPGWANUYOSROP-IBGZPJMESA-N 0 0 449.547 5.185 40 30 IKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567797 525236470 /nfs/dbraw/zinc/23/64/70/525236470.db2.gz AAXBNBRRJJHSHZ-INIZCTEOSA-N 0 0 439.939 5.521 40 30 IKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567783 525236759 /nfs/dbraw/zinc/23/67/59/525236759.db2.gz IHAPDFSSYZCFFN-SFHVURJKSA-N 0 0 449.547 5.185 40 30 IKEBRN COc1ccc([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c(OC)c1 ZINC000013567889 525237070 /nfs/dbraw/zinc/23/70/70/525237070.db2.gz QVZOWCJZXCSKDJ-SFHVURJKSA-N 0 0 445.437 5.250 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 ZINC000036621769 525351367 /nfs/dbraw/zinc/35/13/67/525351367.db2.gz BKFIBDWKIPCPQA-ZOWZWPFWSA-N 0 0 441.597 5.755 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000118916155 525352612 /nfs/dbraw/zinc/35/26/12/525352612.db2.gz ANTLLZHQDMIOLB-WUKCAQQPSA-N 0 0 447.446 6.959 40 30 IKEBRN COc1ccc([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c(OC)c1 ZINC000013567956 525402457 /nfs/dbraw/zinc/40/24/57/525402457.db2.gz CRGIRJKXMSNYRC-MRXNPFEDSA-N 0 0 429.875 5.024 40 30 IKEBRN COc1ccc([C@H]2CC(=O)N(c3cccc(Cl)c3C)C3=C2C(=O)CCC3)c(OC)c1 ZINC000013567922 525402748 /nfs/dbraw/zinc/40/27/48/525402748.db2.gz VYFNSCABOXKJSB-QGZVFWFLSA-N 0 0 425.912 5.193 40 30 IKEBRN Cc1cc([N+](=O)[O-])c(-c2ccc(/C=N/c3sc4c(c3C#N)CCCC4)o2)cc1Cl ZINC000013549164 525554727 /nfs/dbraw/zinc/55/47/27/525554727.db2.gz YLOPWSSBKVEWDE-BHGWPJFGSA-N 0 0 425.897 6.379 40 30 IKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N(C)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223510819 525592532 /nfs/dbraw/zinc/59/25/32/525592532.db2.gz UWUQGAZVPHEQAX-AHHHDHMGSA-N 0 0 445.632 6.639 40 30 IKEBRN 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/nfs/dbraw/zinc/96/80/34/525968034.db2.gz QQAJDRNOMIRYRC-UHFFFAOYSA-N 0 0 426.301 6.098 40 30 IKEBRN Cc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2/N=C/c2ccccc2C)cc1C ZINC000013014904 525972382 /nfs/dbraw/zinc/97/23/82/525972382.db2.gz VPJGHFKGUAAJEV-NVZBVZIISA-N 0 0 431.992 6.910 40 30 IKEBRN Cc1ccc(/N=c2\scc(-c3ccccc3F)n2/N=C/c2ccc3c(c2)OCCO3)cc1 ZINC000025424005 525973049 /nfs/dbraw/zinc/97/30/49/525973049.db2.gz RHIFBNWBUCGKQG-NVZBVZIISA-N 0 0 445.519 5.550 40 30 IKEBRN Cc1cc(CN=Nc2nnc(-c3ccc(C)c(C)c3)c3ccccc32)c(C)n1-c1ccccc1 ZINC000012524276 526095762 /nfs/dbraw/zinc/09/57/62/526095762.db2.gz YTTAEXLOUPEBSD-UXHLAJHPSA-N 0 0 445.570 6.767 40 30 IKEBRN Cc1cc(/N=C/[C@@H](C#N)c2ccc(/C(C#N)=N\c3ccc(N(C)C)cc3)cc2)cc(C)c1N=O ZINC000100366066 526098062 /nfs/dbraw/zinc/09/80/62/526098062.db2.gz ICDYXACODOPILD-NNERQTQLSA-N 0 0 448.530 6.421 40 30 IKEBRN Cc1ccc2cc(CN=Nc3nc4ccc(C)cc4c(-c4ccccc4)n3)c(Cl)nc2c1 ZINC000046085280 526224262 /nfs/dbraw/zinc/22/42/62/526224262.db2.gz RAELJWUNOIOOKM-RWPZCVJISA-N 0 0 437.934 6.561 40 30 IKEBRN Fc1c(F)c(C(F)(F)F)c(F)c(F)c1N=NCc1ccc(OCc2ccccc2)cc1 ZINC000016480344 526291787 /nfs/dbraw/zinc/29/17/87/526291787.db2.gz GOQDZYWEGURWJT-VYVUJPJFSA-N 0 0 442.334 6.287 40 30 IKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1c2ccccc2cc2ccccc21 ZINC000012464609 526389680 /nfs/dbraw/zinc/38/96/80/526389680.db2.gz NTOXDXURZCUULB-ZMFRSBBQSA-N 0 0 449.366 6.729 40 30 IKEBRN O=C(O[C@]1(c2ccccc2)CC(=O)C(c2ccccc2)=C(c2ccccc2)O1)c1ccccc1 ZINC000005052064 526437218 /nfs/dbraw/zinc/43/72/18/526437218.db2.gz SEBWPFLXZNBMHF-PMERELPUSA-N 0 0 446.502 6.254 40 30 IKEBRN c1ccc([C@@H]2C/C(=N\N=C3\C[C@@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 ZINC000013424708 526490709 /nfs/dbraw/zinc/49/07/09/526490709.db2.gz YRRHIUDRTJZIPK-CJZYEQPJSA-N 0 0 444.534 6.928 40 30 IKEBRN N#C[C@H](N)c1ccc(OCCCCCCCCCCOc2ccc([C@H](N)C#N)cc2)cc1 ZINC000031870864 526510186 /nfs/dbraw/zinc/51/01/86/526510186.db2.gz HAUCJFOUGDOZIP-WMPKNSHKSA-N 0 0 434.584 5.312 40 30 IKEBRN N#Cc1cccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)c1 ZINC000009197756 526713679 /nfs/dbraw/zinc/71/36/79/526713679.db2.gz MZVGZONURLBRMQ-XODNFHPESA-N 0 0 433.342 5.992 40 30 IKEBRN O=C(c1ccccc1)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccccc1OC1CCCC1 ZINC000036611840 526789175 /nfs/dbraw/zinc/78/91/75/526789175.db2.gz RFHRBOLSRLMGIF-SANMLTNESA-N 0 0 438.527 5.656 40 30 IKEBRN Clc1ccc(/C=N/c2ccc(Oc3ccc(/N=C\c4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000101705350 526939781 /nfs/dbraw/zinc/93/97/81/526939781.db2.gz ZFQPOMJPQNFCKO-QCOHSWCKSA-N 0 0 445.349 8.287 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCOCC3)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000013549186 526941801 /nfs/dbraw/zinc/94/18/01/526941801.db2.gz ZXSBMSDOJFHBCQ-SIDNSYPESA-N 0 0 441.556 5.332 40 30 IKEBRN O=C1/C(=N/c2cccc(Cl)c2)C[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000017301182 526948484 /nfs/dbraw/zinc/94/84/84/526948484.db2.gz OYOJRJRPTJFBDY-NBHLSZMOSA-N 0 0 429.734 6.898 40 30 IKEBRN Clc1cccc(Cl)c1/C=N\N1CCN(/N=C\c2c(Cl)cccc2Cl)CC1 ZINC000004990771 526977913 /nfs/dbraw/zinc/97/79/13/526977913.db2.gz FWAVDYMDHKDANB-CBSQCECLSA-N 0 0 430.166 5.286 40 30 IKEBRN Clc1ccccc1-c1nn(-c2ccccc2)cc1CN1CCS/C1=N\c1ccccc1 ZINC000071195241 526985744 /nfs/dbraw/zinc/98/57/44/526985744.db2.gz KSZBROZEZGEPPB-RFBIWTDZSA-N 0 0 444.991 6.429 40 30 IKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1ccc(Cl)cc1Cl ZINC000035647461 527041219 /nfs/dbraw/zinc/04/12/19/527041219.db2.gz RWICWDKYSUSCFU-VGOFMYFVSA-N 0 0 428.138 5.648 40 30 IKEBRN Cn1c2ccccc2c2nnc(N=NCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc21 ZINC000015016401 527110439 /nfs/dbraw/zinc/11/04/39/527110439.db2.gz QAGKAHXYKVJKQE-VULFUBBASA-N 0 0 430.556 5.263 40 30 IKEBRN NS(=O)(=O)c1ccc(-c2ccc(C=NNc3c(Cl)cc(Cl)cc3Cl)o2)cc1 ZINC000013127227 527306586 /nfs/dbraw/zinc/30/65/86/527306586.db2.gz LFSBVJDTPMSTJJ-LSFURLLWSA-N 0 0 444.727 5.000 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(-n3nncc3C34CC5CC(CC(C5)C3)C4)cc2)cc1 ZINC000012574545 527359488 /nfs/dbraw/zinc/35/94/88/527359488.db2.gz LKGXJJIBINYLSI-CVKSISIWSA-N 0 0 442.523 5.089 40 30 IKEBRN O=[N+]([O-])c1cccc(-c2ccc(/C=N/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)o2)c1 ZINC000013425467 527381359 /nfs/dbraw/zinc/38/13/59/527381359.db2.gz MLPYVDXMRMVWOG-RNIAWFEPSA-N 0 0 430.376 5.476 40 30 IKEBRN O=C(/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)C(F)(F)F)c1ccccc1 ZINC000012375846 527591418 /nfs/dbraw/zinc/59/14/18/527591418.db2.gz PALALLIHUDRAIR-ATVHPVEESA-N 0 0 438.323 6.363 40 30 IKEBRN O=C(/C=C/c1cccc([N+](=O)[O-])c1)c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c32 ZINC000016545574 527628598 /nfs/dbraw/zinc/62/85/98/527628598.db2.gz BEMKGTSYLVHLJP-SDNWHVSQSA-N 0 0 445.434 5.396 40 30 IKEBRN FC(F)(F)C(C(F)(F)F)(C(F)(F)F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F ZINC000095681657 527661474 /nfs/dbraw/zinc/66/14/74/527661474.db2.gz WPAUSINXKWMLSW-UHFFFAOYSA-N 0 0 438.052 6.333 40 30 IKEBRN Cc1nn(C)c(F)c1CN=Nc1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 ZINC000252488947 527670306 /nfs/dbraw/zinc/67/03/06/527670306.db2.gz JCLXLOIZLGBHIX-HCBMXOAHSA-N 0 0 447.223 5.096 40 30 IKEBRN FC(F)Oc1ccc(C=NNc2c(Cl)cc(Cl)cc2Cl)c(OC(F)F)c1 ZINC000012623305 527695736 /nfs/dbraw/zinc/69/57/36/527695736.db2.gz WAGSFOSOAXWFLG-TXNBCWFRSA-N 0 0 431.600 6.296 40 30 IKEBRN O=C(c1cccs1)C1=C(O)C(=O)N(c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000001438364 555697152 /nfs/dbraw/zinc/69/71/52/555697152.db2.gz UVMGNALPYQAUAJ-SFHVURJKSA-N 0 0 440.318 5.294 40 30 IKEBRN CC(=O)[C@]12O[C@](C)(c3ccco3)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000001696705 555710001 /nfs/dbraw/zinc/71/00/01/555710001.db2.gz PDWGBWJIJZYLQQ-HMHNWCKPSA-N 0 0 438.564 5.337 40 30 IKEBRN CCCCc1ccc(C2=C(Cl)C(=O)C(c3ccc(CCCC)cc3)=C(Cl)C2=O)cc1 ZINC000001711804 555710611 /nfs/dbraw/zinc/71/06/11/555710611.db2.gz XBASSERNWDMXAW-UHFFFAOYSA-N 0 0 441.398 7.124 40 30 IKEBRN Cc1ccc(S(=O)(=O)OCCOCCOc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1 ZINC000001761812 555712829 /nfs/dbraw/zinc/71/28/29/555712829.db2.gz CYNWWPGUCUTIKH-UHFFFAOYSA-N 0 0 448.625 5.510 40 30 IKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccccc1Br ZINC000002330265 555769316 /nfs/dbraw/zinc/76/93/16/555769316.db2.gz BBKJJLUHLPKHEC-UWVJOHFNSA-N 0 0 428.142 5.185 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(OC)c(Cl)c3)c3ccccc32)c1 ZINC000408544837 555792767 /nfs/dbraw/zinc/79/27/67/555792767.db2.gz VMOLJZCDHNAFEL-MZJWZYIUSA-N 0 0 432.907 5.889 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccccc1Cl ZINC000408562532 555905714 /nfs/dbraw/zinc/90/57/14/555905714.db2.gz QSFKCPUWMNQAMS-UHFFFAOYSA-N 0 0 448.979 5.592 40 30 IKEBRN Cc1ccc(Cn2cc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc32)cc1 ZINC000408569035 555912613 /nfs/dbraw/zinc/91/26/13/555912613.db2.gz YGAYHKJOJDUGBT-ZMOGYAJESA-N 0 0 429.436 5.260 40 30 IKEBRN C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl ZINC000408571968 555915323 /nfs/dbraw/zinc/91/53/23/555915323.db2.gz QDLYPGAWPHLTNA-FQEVSTJZSA-N 0 0 444.944 5.212 40 30 IKEBRN C=CCOc1c(Br)cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OCC ZINC000408565032 555918640 /nfs/dbraw/zinc/91/86/40/555918640.db2.gz BALIGVUZVIJGIL-KRWDZBQOSA-N 0 0 445.313 5.303 40 30 IKEBRN Cc1ccc(COc2c(Cl)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2Cl)cc1 ZINC000408589686 555945775 /nfs/dbraw/zinc/94/57/75/555945775.db2.gz FLPBZYIBZZNXBC-BRJLIKDPSA-N 0 0 445.302 6.340 40 30 IKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc(Br)cc3)cc1)N2 ZINC000035167004 555946023 /nfs/dbraw/zinc/94/60/23/555946023.db2.gz AARNPXITCXVHCB-WCJVRYJWSA-N 0 0 443.388 7.335 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccc(Br)cc2)c1 ZINC000408593056 555954494 /nfs/dbraw/zinc/95/44/94/555954494.db2.gz OOKVTDHEQZQNBR-YDZHTSKRSA-N 0 0 441.281 5.487 40 30 IKEBRN CC(=O)Nc1cc(/N=C/c2ccccc2)c(/C=C/c2ccccc2)cc1/C=C/c1ccccc1 ZINC000004266064 555980810 /nfs/dbraw/zinc/98/08/10/555980810.db2.gz AXBNDPQLANABDI-KSDFXGBWSA-N 0 0 442.562 7.736 40 30 IKEBRN CSC(=Nc1nc2cc3sc(N=C(SC)SC)nc3cc2s1)SC ZINC000004293385 555983776 /nfs/dbraw/zinc/98/37/76/555983776.db2.gz STTSKOPWVBXZNW-UHFFFAOYSA-N 0 0 430.696 6.333 40 30 IKEBRN CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000408619813 555988597 /nfs/dbraw/zinc/98/85/97/555988597.db2.gz HTNIRJQPAQOOHJ-GXDHUFHOSA-N 0 0 437.333 6.323 40 30 IKEBRN Clc1ccccc1/C=N/c1ccc(Oc2ccc(/N=C\c3ccccc3Cl)cc2)cc1 ZINC000004480605 555997005 /nfs/dbraw/zinc/99/70/05/555997005.db2.gz ALDSXUXLVATGJO-QCOHSWCKSA-N 0 0 445.349 8.287 40 30 IKEBRN COC(=O)[C@@H]1C2=C(C(=O)CC1(C)C)[C@H](c1ccc(C)cc1)c1c(ccc3ccccc31)N2 ZINC000004707999 556007253 /nfs/dbraw/zinc/00/72/53/556007253.db2.gz UTTGRLMJBOCISR-RDGATRHJSA-N 0 0 425.528 5.748 40 30 IKEBRN CCCCC1=C(c2ccccc2)C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000004897483 556018617 /nfs/dbraw/zinc/01/86/17/556018617.db2.gz WAMYHIVYSOOYFB-RFBIWTDZSA-N 0 0 442.475 6.434 40 30 IKEBRN C/C=C/[C@@H]1C(C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)=CC(C)=C2CC[C@H](C)C[C@H]21 ZINC000514287863 556025324 /nfs/dbraw/zinc/02/53/24/556025324.db2.gz FCQPLAILVSLWDT-IZMZQMABSA-N 0 0 431.532 5.933 40 30 biogenic,in-vitro IKEBRN S=C(N/N=C/c1ccc2ccc3cccc4ccc1c2c34)NC12CC3CC(CC(C3)C1)C2 ZINC000005048255 556029965 /nfs/dbraw/zinc/02/99/65/556029965.db2.gz UREXYVWUIZJQRI-MUFRIFMGSA-N 0 0 437.612 6.351 40 30 IKEBRN Cn1c2ccccc2nc1NN=Cc1ccccc1OCc1ccc(Cl)cc1Cl ZINC000408659198 556044117 /nfs/dbraw/zinc/04/41/17/556044117.db2.gz OVMUBXQXWGMBPH-DHRITJCHSA-N 0 0 425.319 5.905 40 30 IKEBRN Cn1c2ccccc2nc1NN=Cc1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408665631 556049548 /nfs/dbraw/zinc/04/95/48/556049548.db2.gz UMALMHYVGJDGLK-ZVHZXABRSA-N 0 0 435.325 5.361 40 30 IKEBRN CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3CC=C[C@@H](C)[C@H]3C2=O)cc1 ZINC000408668288 556053699 /nfs/dbraw/zinc/05/36/99/556053699.db2.gz DLKZUBPHBDKNIR-QFZRFWILSA-N 0 0 438.612 6.248 40 30 IKEBRN COc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)cc1 ZINC000408670091 556057273 /nfs/dbraw/zinc/05/72/73/556057273.db2.gz XXIYRFRYRQEYEQ-UKTHLTGXSA-N 0 0 436.338 6.901 40 30 IKEBRN COc1cc(OC)c(NC(=O)O/N=C(\c2ccccc2)[C@H](O)c2ccccc2)cc1Cl ZINC000005639611 556061375 /nfs/dbraw/zinc/06/13/75/556061375.db2.gz ATRLTKZSJCYHPY-XDMDVORWSA-N 0 0 440.883 5.044 40 30 IKEBRN CCOc1ccc(Nc2nc(C)c(C(=O)/C=C\c3ccc(Cl)cc3Cl)s2)cc1 ZINC000005732347 556064309 /nfs/dbraw/zinc/06/43/09/556064309.db2.gz QYXSTIHICCBGGU-WZUFQYTHSA-N 0 0 433.360 6.797 40 30 IKEBRN C=CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000035362151 556083861 /nfs/dbraw/zinc/08/38/61/556083861.db2.gz YHGDNXGCBQMBPJ-QFIPXVFZSA-N 0 0 434.609 5.500 40 30 IKEBRN C=CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000035362397 556083869 /nfs/dbraw/zinc/08/38/69/556083869.db2.gz BODQATCYWPONIV-QFIPXVFZSA-N 0 0 434.609 5.500 40 30 IKEBRN C=CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C ZINC000035362150 556083936 /nfs/dbraw/zinc/08/39/36/556083936.db2.gz YHGDNXGCBQMBPJ-JOCHJYFZSA-N 0 0 434.609 5.500 40 30 IKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)cc1C ZINC000408708914 556114785 /nfs/dbraw/zinc/11/47/85/556114785.db2.gz NDQZNIDOYWGKLJ-UHFFFAOYSA-N 0 0 425.411 5.733 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 ZINC000008615977 556192532 /nfs/dbraw/zinc/19/25/32/556192532.db2.gz FKBGHOIYIHEXNW-KEOOTSPTSA-N 0 0 426.578 5.331 40 30 IKEBRN COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S1 ZINC000008820751 556220980 /nfs/dbraw/zinc/22/09/80/556220980.db2.gz QIAIKXJFYDBBHU-HAHDFKILSA-N 0 0 430.529 5.474 40 30 IKEBRN COc1ccc(OC)c(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)c1 ZINC000008820735 556221038 /nfs/dbraw/zinc/22/10/38/556221038.db2.gz MZXLHEJEKMXVQX-PXNMLYILSA-N 0 0 442.846 5.268 40 30 IKEBRN C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)cc2C(F)(F)F)NC1=O ZINC000008820745 556221046 /nfs/dbraw/zinc/22/10/46/556221046.db2.gz PACKNLOLJINWJE-YVLHZVERSA-N 0 0 438.858 5.815 40 30 IKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)c1 ZINC000008820817 556221383 /nfs/dbraw/zinc/22/13/83/556221383.db2.gz QCPDXYIXSRCUDP-UCQKPKSFSA-N 0 0 448.975 6.427 40 30 IKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 ZINC000008820962 556221386 /nfs/dbraw/zinc/22/13/86/556221386.db2.gz ASBWLTMDCBWAMJ-YBFXNURJSA-N 0 0 429.328 6.453 40 30 IKEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008821113 556221555 /nfs/dbraw/zinc/22/15/55/556221555.db2.gz JCRGOQBXGUQQAO-WOJGMQOQSA-N 0 0 425.853 5.400 40 30 IKEBRN CCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 ZINC000008820993 556221564 /nfs/dbraw/zinc/22/15/64/556221564.db2.gz BSWPITRXWJDXFG-UDWIEESQSA-N 0 0 443.355 6.707 40 30 IKEBRN O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820976 556221699 /nfs/dbraw/zinc/22/16/99/556221699.db2.gz VCKYBLZNYOVSMN-VCHYOVAHSA-N 0 0 433.291 6.284 40 30 IKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1cccc(Br)c1 ZINC000008821162 556221958 /nfs/dbraw/zinc/22/19/58/556221958.db2.gz MTPQEMPMMMRWAB-JYRVWZFOSA-N 0 0 428.138 5.648 40 30 IKEBRN CN(C)c1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 ZINC000008821193 556221962 /nfs/dbraw/zinc/22/19/62/556221962.db2.gz PVEWWTSERBNDPI-SXGWCWSVSA-N 0 0 425.863 5.316 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008821122 556221964 /nfs/dbraw/zinc/22/19/64/556221964.db2.gz UPCSTDJKISKAJQ-VCHYOVAHSA-N 0 0 443.843 5.539 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1ccc(Br)cc1 ZINC000008821176 556221973 /nfs/dbraw/zinc/22/19/73/556221973.db2.gz JQURBZVCUWDVTH-AUWJEWJLSA-N 0 0 428.138 5.648 40 30 IKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 ZINC000008821190 556221982 /nfs/dbraw/zinc/22/19/82/556221982.db2.gz ZXQUKNCZKGSWDN-YVLHZVERSA-N 0 0 438.858 5.815 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 ZINC000008821209 556222108 /nfs/dbraw/zinc/22/21/08/556222108.db2.gz ISTXTHGACMPKAG-SXGWCWSVSA-N 0 0 426.847 5.649 40 30 IKEBRN O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000008821196 556222139 /nfs/dbraw/zinc/22/21/39/556222139.db2.gz NWAZHPZNHSZBLE-AUWJEWJLSA-N 0 0 427.791 5.159 40 30 IKEBRN CCCC/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CCCC ZINC000008821668 556223317 /nfs/dbraw/zinc/22/33/17/556223317.db2.gz BCGQXDKQJOBXQM-OCIPIQTLSA-N 0 0 427.526 5.727 40 30 IKEBRN CCCC/N=C1\S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CCCC ZINC000008821667 556223345 /nfs/dbraw/zinc/22/33/45/556223345.db2.gz XSTYDVLLNAFZAJ-OCIPIQTLSA-N 0 0 427.526 5.727 40 30 IKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C(=O)N1CC ZINC000008821656 556223352 /nfs/dbraw/zinc/22/33/52/556223352.db2.gz QUYPXQOCEYCYMA-AQWOHROKSA-N 0 0 430.957 5.240 40 30 IKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)C(=O)N1CC ZINC000008821658 556223375 /nfs/dbraw/zinc/22/33/75/556223375.db2.gz AAMTVNPOPSFPSV-MZURAFEFSA-N 0 0 444.984 5.630 40 30 IKEBRN Clc1cccc(Cl)c1CN/N=C/c1ccc(OCc2cccc3ccccc32)cc1 ZINC000009195135 556254453 /nfs/dbraw/zinc/25/44/53/556254453.db2.gz BWAJKOLTFMMOIV-RWPZCVJISA-N 0 0 435.354 6.849 40 30 IKEBRN O=[N+]([O-])c1ccc(COc2ccc(/C=N/NCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000009195130 556254524 /nfs/dbraw/zinc/25/45/24/556254524.db2.gz ASBANSQGGZZCLO-WYMPLXKRSA-N 0 0 430.291 5.604 40 30 IKEBRN O=[N+]([O-])c1ccc(COc2cccc(/C=N/NCc3c(Cl)cccc3Cl)c2)cc1 ZINC000009196167 556254688 /nfs/dbraw/zinc/25/46/88/556254688.db2.gz AHBMZHZYRJBXJP-WYMPLXKRSA-N 0 0 430.291 5.604 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC ZINC000009197207 556255276 /nfs/dbraw/zinc/25/52/76/556255276.db2.gz PVBBLUUIMQQYEO-LSHDLFTRSA-N 0 0 446.172 5.677 40 30 IKEBRN c1ccc([C@H]2C/C(=N\N=C3\C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 ZINC000004348860 556408346 /nfs/dbraw/zinc/40/83/46/556408346.db2.gz YRRHIUDRTJZIPK-YDQIVOIQSA-N 0 0 444.534 6.928 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc2c(c1)-c1ccccc1C2 ZINC000039377192 556433941 /nfs/dbraw/zinc/43/39/41/556433941.db2.gz UJOANJUWHUYRPS-WJOKGBTCSA-N 0 0 441.574 7.721 40 30 IKEBRN CCOc1cc(C=NNc2ccccc2)c(Br)cc1OCc1ccccc1 ZINC000408850733 556434467 /nfs/dbraw/zinc/43/44/67/556434467.db2.gz DHMQWGIRBKEZFH-IWIPYMOSSA-N 0 0 425.326 5.873 40 30 IKEBRN CCOc1cccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000408850327 556434811 /nfs/dbraw/zinc/43/48/11/556434811.db2.gz LLYYSVHTRDQGFH-UUYOSTAYSA-N 0 0 436.758 6.996 40 30 IKEBRN C/N=C1/S/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1C ZINC000408854208 556443275 /nfs/dbraw/zinc/44/32/75/556443275.db2.gz ZQGTZTGMSGDOBK-RHFGJHFGSA-N 0 0 425.312 5.243 40 30 IKEBRN CCOc1cc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)ccc1OCC(C)C ZINC000408854630 556443499 /nfs/dbraw/zinc/44/34/99/556443499.db2.gz JKKVSTMTFMTXPI-XKZIYDEJSA-N 0 0 440.565 5.329 40 30 IKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408858738 556451419 /nfs/dbraw/zinc/45/14/19/556451419.db2.gz OYQHCLJXGGFOEW-YDKHKBCISA-N 0 0 432.633 7.167 40 30 IKEBRN Cc1cc(/C=C2\Sc3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408858806 556452007 /nfs/dbraw/zinc/45/20/07/556452007.db2.gz SSVWRVFRUMXSLR-UUYOSTAYSA-N 0 0 441.379 7.519 40 30 IKEBRN Clc1ccc(Sc2oc(/C=N\c3ccccc3Cl)cc2Br)cc1 ZINC000408859042 556453002 /nfs/dbraw/zinc/45/30/02/556453002.db2.gz VOWNLCMPCUREMU-FBHDLOMBSA-N 0 0 427.150 7.251 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccccc1 ZINC000408859936 556453075 /nfs/dbraw/zinc/45/30/75/556453075.db2.gz VVEMSJFVKIMMJX-DOEDGMEWSA-N 0 0 426.585 7.023 40 30 IKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-] ZINC000408861068 556453407 /nfs/dbraw/zinc/45/34/07/556453407.db2.gz LZBKFSOBAJHIJF-UIHXCYCASA-N 0 0 435.549 6.086 40 30 IKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N\c1ccccc1 ZINC000408861416 556454511 /nfs/dbraw/zinc/45/45/11/556454511.db2.gz ACHIYFXGYVAKER-CDYLKBEOSA-N 0 0 445.382 6.225 40 30 IKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N\c1ccccc1 ZINC000408861418 556454706 /nfs/dbraw/zinc/45/47/06/556454706.db2.gz ACHIYFXGYVAKER-OTJXPETNSA-N 0 0 445.382 6.225 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)S1 ZINC000408861751 556455097 /nfs/dbraw/zinc/45/50/97/556455097.db2.gz CWHAFTQTSPVXCJ-IWIPYMOSSA-N 0 0 444.556 5.783 40 30 IKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 ZINC000408862695 556456087 /nfs/dbraw/zinc/45/60/87/556456087.db2.gz IMEJBWSBZWMHJA-QKUVWEBHSA-N 0 0 431.561 5.772 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCC(C)C)c3ccccc23)S1 ZINC000408863584 556456388 /nfs/dbraw/zinc/45/63/88/556456388.db2.gz NPXYTPVKBWFWIE-OYKKKHCWSA-N 0 0 446.572 6.083 40 30 IKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 ZINC000408864603 556457798 /nfs/dbraw/zinc/45/77/98/556457798.db2.gz XHPVTLQLVTWJSR-SZLYMPMWSA-N 0 0 426.969 6.228 40 30 IKEBRN Cc1ccc(Nc2nc(N=NCc3cccc(F)c3)nc(Nc3ccccc3)n2)c(C)c1 ZINC000014920431 556458772 /nfs/dbraw/zinc/45/87/72/556458772.db2.gz PAHLKGNGKJEPSL-CVKSISIWSA-N 0 0 427.487 5.561 40 30 IKEBRN COc1cc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000014945033 556459965 /nfs/dbraw/zinc/45/99/65/556459965.db2.gz JKLRFBUYGVZHII-XHCCPWGMSA-N 0 0 448.522 5.907 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408866789 556460135 /nfs/dbraw/zinc/46/01/35/556460135.db2.gz IXMLPEOSVGYMSJ-NHDPSOOVSA-N 0 0 439.943 6.087 40 30 IKEBRN N#Cc1ccccc1COc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1 ZINC000408867862 556461106 /nfs/dbraw/zinc/46/11/06/556461106.db2.gz MGJFLBJXHTXLKJ-XKZIYDEJSA-N 0 0 429.476 5.168 40 30 IKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C1=O)OCO2 ZINC000408870171 556461766 /nfs/dbraw/zinc/46/17/66/556461766.db2.gz SBEOMOYNNLSJGH-KIUOEUNASA-N 0 0 434.561 5.906 40 30 IKEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2ccc(-c3cccc(Cl)c3)o2)C1=O ZINC000408871051 556462045 /nfs/dbraw/zinc/46/20/45/556462045.db2.gz VPCAMRHKUJRRML-HYARGMPZSA-N 0 0 447.918 6.094 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(OC)c1 ZINC000408871215 556462065 /nfs/dbraw/zinc/46/20/65/556462065.db2.gz YVVNMSKPJLWPAZ-HFJIERTFSA-N 0 0 436.577 5.887 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(OC)c1 ZINC000408871221 556462377 /nfs/dbraw/zinc/46/23/77/556462377.db2.gz YVVNMSKPJLWPAZ-WORPXPHDSA-N 0 0 436.577 5.887 40 30 IKEBRN COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O ZINC000408875835 556465663 /nfs/dbraw/zinc/46/56/63/556465663.db2.gz LSLGYPKGWOLNMY-OQQMXVPDSA-N 0 0 440.996 6.531 40 30 IKEBRN Cc1ccc(C(=O)Oc2cccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)c2)cc1 ZINC000408885716 556473945 /nfs/dbraw/zinc/47/39/45/556473945.db2.gz FIDCNPCAAUGMIN-STZFKDTASA-N 0 0 448.931 5.759 40 30 IKEBRN COc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1OCc1c(Cl)cccc1Cl ZINC000408887148 556474327 /nfs/dbraw/zinc/47/43/27/556474327.db2.gz OJJLYFKERIHMFQ-YSURURNPSA-N 0 0 447.278 5.330 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC(=O)c4ccc(Cl)cc4)c3)S2)cc1 ZINC000408891339 556477844 /nfs/dbraw/zinc/47/78/44/556477844.db2.gz OVUHVOGQGHBENK-STZFKDTASA-N 0 0 448.931 5.759 40 30 IKEBRN CC(C)(C)c1cc(/C=C2\S/C(=N\c3ccccc3Cl)NC2=O)cc(C(C)(C)C)c1O ZINC000015015827 556485064 /nfs/dbraw/zinc/48/50/64/556485064.db2.gz ROTZSHUWNJZVDP-UYRXBGFRSA-N 0 0 443.012 6.532 40 30 IKEBRN C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC ZINC000408900709 556488286 /nfs/dbraw/zinc/48/82/86/556488286.db2.gz ZYFNSSYLDDZEMR-UHFFFAOYSA-N 0 0 428.912 5.432 40 30 IKEBRN COC(=O)[C@@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@@H]2c1ccc(C)cc1 ZINC000015024024 556488863 /nfs/dbraw/zinc/48/88/63/556488863.db2.gz OZDRJIWWJNRYEC-URXFXBBRSA-N 0 0 426.516 5.143 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Br ZINC000408901256 556488922 /nfs/dbraw/zinc/48/89/22/556488922.db2.gz CQQXLNYMVRKICC-MHWRWJLKSA-N 0 0 431.717 5.473 40 30 IKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)c2ccccc12 ZINC000408906687 556492315 /nfs/dbraw/zinc/49/23/15/556492315.db2.gz DCZSZXUVKBJOLJ-WEOUEGTISA-N 0 0 444.600 7.033 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)ccc1O ZINC000408905480 556492638 /nfs/dbraw/zinc/49/26/38/556492638.db2.gz AQRBQEQISXCQCC-OBUXZSPNSA-N 0 0 430.529 5.248 40 30 IKEBRN CCN1C(=O)/C(=C\c2cccc(Cl)c2Cl)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000408905810 556492959 /nfs/dbraw/zinc/49/29/59/556492959.db2.gz FBACKOURZRKNNU-YTVGCWMKSA-N 0 0 435.332 5.404 40 30 IKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c1 ZINC000408906094 556493003 /nfs/dbraw/zinc/49/30/03/556493003.db2.gz HJAVUPNZCICTAV-STWUOGDHSA-N 0 0 428.557 6.451 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c(OC)c1 ZINC000408906138 556493300 /nfs/dbraw/zinc/49/33/00/556493300.db2.gz HOOXXWLAVYPLOR-WDVBHDOFSA-N 0 0 444.556 6.069 40 30 IKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCc1cccc(C)c1 ZINC000408908173 556493618 /nfs/dbraw/zinc/49/36/18/556493618.db2.gz BKBKURAVADNMBI-ROTLSHHCSA-N 0 0 440.887 5.375 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3c4ccccc4cc4ccccc43)C(=O)N2C(C)C)cc1 ZINC000408908512 556493706 /nfs/dbraw/zinc/49/37/06/556493706.db2.gz AEEPMWYSPQGHIF-GIEPNVOJSA-N 0 0 436.580 7.314 40 30 IKEBRN Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000408907362 556494401 /nfs/dbraw/zinc/49/44/01/556494401.db2.gz MKRDWAAVTSLIBV-LBMUFILHSA-N 0 0 429.501 5.707 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2cc(Cl)ccc2OCC)S/C1=N\c1ccc(C)cc1 ZINC000408909066 556494406 /nfs/dbraw/zinc/49/44/06/556494406.db2.gz BWROYCKJRDWYQL-DBSKITMISA-N 0 0 428.985 6.451 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)N1C ZINC000408910284 556494671 /nfs/dbraw/zinc/49/46/71/556494671.db2.gz GSFDGFJTWULUPK-QMSJJHEMSA-N 0 0 447.516 5.959 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c1O ZINC000408907681 556494771 /nfs/dbraw/zinc/49/47/71/556494771.db2.gz ORQUAXHBDBMNGR-QLNCSRKTSA-N 0 0 430.529 5.766 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)ccc1C ZINC000408910302 556494806 /nfs/dbraw/zinc/49/48/06/556494806.db2.gz GTTLSFHIRAUHPX-YCJCGMCGSA-N 0 0 428.557 6.429 40 30 IKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccc(C)cc1 ZINC000408911040 556495371 /nfs/dbraw/zinc/49/53/71/556495371.db2.gz IRSJXQTWTNGHTK-BHECTXTCSA-N 0 0 436.621 6.838 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2CCc2ccccc2)cc1 ZINC000408910790 556495378 /nfs/dbraw/zinc/49/53/78/556495378.db2.gz HYQGLPKTOUFJBR-YWQSIKCOSA-N 0 0 448.975 6.201 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)ccc1OCC(C)C ZINC000408910878 556495391 /nfs/dbraw/zinc/49/53/91/556495391.db2.gz LYKFCJAYEGMITM-HUOZHCEOSA-N 0 0 438.593 6.133 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3Cl)C(=O)N2C2CCCCC2)cc1 ZINC000408911011 556495508 /nfs/dbraw/zinc/49/55/08/556495508.db2.gz IOHVBGMJKVZPHY-GHZVKXTHSA-N 0 0 445.415 7.239 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2c3ccccc3cc3ccccc32)C(=O)N1CC ZINC000408910963 556495514 /nfs/dbraw/zinc/49/55/14/556495514.db2.gz IFBKWHHLJCNTJO-GEZLPURSSA-N 0 0 436.580 7.179 40 30 IKEBRN COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1OC(C)C ZINC000408909285 556496209 /nfs/dbraw/zinc/49/62/09/556496209.db2.gz GXTRZTBMIGSUOT-YUMHPJSZSA-N 0 0 448.588 6.426 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1OCC ZINC000408909536 556496629 /nfs/dbraw/zinc/49/66/29/556496629.db2.gz DLDJPISHDYPRIO-JLOZXLPYSA-N 0 0 438.593 6.195 40 30 IKEBRN CCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000408911376 556498014 /nfs/dbraw/zinc/49/80/14/556498014.db2.gz NGUKVVPGWAEAIN-JUMVDPBBSA-N 0 0 446.528 5.259 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)ccc1O ZINC000408911595 556498121 /nfs/dbraw/zinc/49/81/21/556498121.db2.gz KGIUULBGKQWXSB-OQNHBUHUSA-N 0 0 436.577 6.036 40 30 IKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408911928 556498393 /nfs/dbraw/zinc/49/83/93/556498393.db2.gz PANIJJZTEYNCCK-PEBOIGEYSA-N 0 0 427.573 6.118 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2CCc2ccccc2)cc1 ZINC000408912220 556498978 /nfs/dbraw/zinc/49/89/78/556498978.db2.gz MLMMMUJEEDZYKH-YCJCGMCGSA-N 0 0 442.540 5.570 40 30 IKEBRN Cc1[nH]c2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O ZINC000408912354 556499063 /nfs/dbraw/zinc/49/90/63/556499063.db2.gz PYBVMRHASQDFHF-BUWHHMLQSA-N 0 0 437.568 6.323 40 30 IKEBRN COc1cc(C)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1C(C)C ZINC000408912357 556499300 /nfs/dbraw/zinc/49/93/00/556499300.db2.gz NFXXXEGZMFTNQV-JAYUVETPSA-N 0 0 436.621 6.695 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408912534 556499408 /nfs/dbraw/zinc/49/94/08/556499408.db2.gz NLRNUHJEDXKDQX-FUQOYWQNSA-N 0 0 442.584 6.899 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cn(C)c4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000408914099 556499580 /nfs/dbraw/zinc/49/95/80/556499580.db2.gz SSCNPZWEIOREBZ-YCJCGMCGSA-N 0 0 429.589 6.423 40 30 IKEBRN CC(=O)Nc1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 ZINC000408914503 556500158 /nfs/dbraw/zinc/50/01/58/556500158.db2.gz QEJBFJKIDOZLBN-WSDLNYQXSA-N 0 0 429.339 6.211 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S/C1=N\c1ccc(C)cc1 ZINC000408915438 556500276 /nfs/dbraw/zinc/50/02/76/556500276.db2.gz YKFSZEAYYDLEHO-QMSJJHEMSA-N 0 0 447.516 6.096 40 30 IKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000408914788 556500354 /nfs/dbraw/zinc/50/03/54/556500354.db2.gz WEYNXANVNYLESV-UINIZAEWSA-N 0 0 428.557 6.198 40 30 IKEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408914950 556500379 /nfs/dbraw/zinc/50/03/79/556500379.db2.gz ZXGQDVIMUYJHPP-MSXFZWOLSA-N 0 0 429.835 5.421 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2CC)N(CC)C1=O ZINC000408914717 556500384 /nfs/dbraw/zinc/50/03/84/556500384.db2.gz VWAMQDQMEAPRPE-UINIZAEWSA-N 0 0 430.573 6.425 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)C(=O)N2C)cc1 ZINC000408914859 556500422 /nfs/dbraw/zinc/50/04/22/556500422.db2.gz YFWGFGHLLXTKRH-WNIMSWJZSA-N 0 0 432.520 5.947 40 30 IKEBRN CCCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(C2CCCCC2)C1=O ZINC000408915698 556500631 /nfs/dbraw/zinc/50/06/31/556500631.db2.gz ZLYWMIPJBWZHRS-WEOUEGTISA-N 0 0 448.632 6.975 40 30 IKEBRN COc1ccc([N+](=O)[O-])cc1/C=C1\S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O ZINC000408916927 556501786 /nfs/dbraw/zinc/50/17/86/556501786.db2.gz IXGRBOZRTWBFHU-JDJFWADASA-N 0 0 435.461 5.001 40 30 IKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@@H]([C@H](C)O)[C@](C)(CCCO)[C@]3(CC[C@]12C)O4 ZINC000013409885 556505127 /nfs/dbraw/zinc/50/51/27/556505127.db2.gz FQVYPFDSTMDZMU-JJMIVPNYSA-N 0 0 448.732 6.743 40 30 IKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@H]5[C@H](C)OC(=O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 ZINC000013409724 556505196 /nfs/dbraw/zinc/50/51/96/556505196.db2.gz GYFDUNYHWOMITG-KRYWEKSYSA-N 0 0 444.700 7.315 40 30 IKEBRN COc1ccc(-c2oc(/N=C/c3c[nH]c4ccccc34)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408919440 556505847 /nfs/dbraw/zinc/50/58/47/556505847.db2.gz XZPJIGFEEDSJEX-KBVAKVRCSA-N 0 0 447.494 6.734 40 30 IKEBRN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2cccs2)cc1 ZINC000030823034 556507164 /nfs/dbraw/zinc/50/71/64/556507164.db2.gz PDUJMKBDRQIUOU-DEOSSOPVSA-N 0 0 430.529 5.577 40 30 IKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3cc(C)n(-c4cc(C)ccn4)c3C)S2)cc1 ZINC000015225258 556512088 /nfs/dbraw/zinc/51/20/88/556512088.db2.gz YHMVZBXKXHSXDK-KGENOOAVSA-N 0 0 432.549 5.088 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S/C1=N/c1ccccc1 ZINC000408928673 556521980 /nfs/dbraw/zinc/52/19/80/556521980.db2.gz DDJHQTWXKPXUSN-SGXAETBLSA-N 0 0 436.508 5.726 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(O)c(Cl)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930486 556523620 /nfs/dbraw/zinc/52/36/20/556523620.db2.gz XQVIWNWLIKWCQJ-VLYZUMCXSA-N 0 0 441.984 5.660 40 30 IKEBRN Clc1cccc(CN=Nc2nnc(N=NCc3cccc(Cl)c3)c3ccccc32)c1 ZINC000031670022 556525537 /nfs/dbraw/zinc/52/55/37/556525537.db2.gz CYKZGUGAOIRLRS-KGRJIBJCSA-N 0 0 435.318 5.829 40 30 IKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3ccc([O-])c([N+](=O)[O-])c3)cc1)N2 ZINC000408935110 556528120 /nfs/dbraw/zinc/52/81/20/556528120.db2.gz GTFIQLBGUIBNKM-YWRHJZBJSA-N 0 0 425.488 6.186 40 30 IKEBRN CC1N(/N=C\c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)N1/N=C\c1ccccc1 ZINC000031960867 556528137 /nfs/dbraw/zinc/52/81/37/556528137.db2.gz ZFJQYECGRCXXIO-SRJGQVFNSA-N 0 0 444.582 6.501 40 30 IKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)c(Br)c1 ZINC000032100515 556528839 /nfs/dbraw/zinc/52/88/39/556528839.db2.gz YAXMRLGQMKDVSI-CSKARUKUSA-N 0 0 429.539 6.064 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC[C@@]5(C)CC[C@@H]43)C2)cc1 ZINC000032106725 556529861 /nfs/dbraw/zinc/52/98/61/556529861.db2.gz DJKUHJBPRWSFHW-KUYDZDNESA-N 0 0 430.654 6.502 40 30 IKEBRN Cc1cc(Cl)c(O)c(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 ZINC000032111997 556530909 /nfs/dbraw/zinc/53/09/09/556530909.db2.gz YZTHDWLHXRZHPY-XODNFHPESA-N 0 0 447.321 7.719 40 30 IKEBRN CCOc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1O ZINC000032114458 556530940 /nfs/dbraw/zinc/53/09/40/556530940.db2.gz WKDLTXHZNRBGLW-MZJWZYIUSA-N 0 0 448.906 6.502 40 30 IKEBRN Cc1cc(Cl)c(O)c(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 ZINC000032114982 556531133 /nfs/dbraw/zinc/53/11/33/556531133.db2.gz IOQIWNPEWBRBSI-JQAMDZJQSA-N 0 0 433.241 6.844 40 30 IKEBRN CCCCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(OC)c2O)cc1OC ZINC000032115087 556531476 /nfs/dbraw/zinc/53/14/76/556531476.db2.gz PKOXVAMRFBPMDM-WSDLNYQXSA-N 0 0 435.318 5.051 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408935914 556533097 /nfs/dbraw/zinc/53/30/97/556533097.db2.gz FDDKXLPPMMWZPV-YLSYNAGFSA-N 0 0 428.963 7.316 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408936319 556536890 /nfs/dbraw/zinc/53/68/90/556536890.db2.gz FOUWXNZTJCULHE-PMXSXJJTSA-N 0 0 428.963 7.316 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1O ZINC000408939289 556537743 /nfs/dbraw/zinc/53/77/43/556537743.db2.gz MGVBRIPYDRSOKU-BXYIYPKISA-N 0 0 444.962 6.940 40 30 IKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)ccc1OC ZINC000408938302 556537831 /nfs/dbraw/zinc/53/78/31/556537831.db2.gz PZYCHQHCNDJMLI-JEAXXKEWSA-N 0 0 438.571 6.979 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408944966 556542515 /nfs/dbraw/zinc/54/25/15/556542515.db2.gz VPHKNZNFVYJJBP-YBPWUCAYSA-N 0 0 444.578 7.816 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Br)ccc3OCC)S2)cc1 ZINC000408950181 556548066 /nfs/dbraw/zinc/54/80/66/556548066.db2.gz DTRFRTNANMPWOL-LDADJPATSA-N 0 0 447.354 5.138 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccccc4C(=O)OC)o3)S2)cc1 ZINC000408951409 556548905 /nfs/dbraw/zinc/54/89/05/556548905.db2.gz JDOXESYLHSUNAT-KGENOOAVSA-N 0 0 448.500 5.024 40 30 IKEBRN Brc1cc(/C=N/c2cccc3ccccc32)oc1I ZINC000408951680 556548957 /nfs/dbraw/zinc/54/89/57/556548957.db2.gz JPRIHCBKUGEXEQ-GIJQJNRQSA-N 0 0 426.051 5.551 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@H](C)CC)c(Cl)c3)S2)cc1 ZINC000408949527 556549907 /nfs/dbraw/zinc/54/99/07/556549907.db2.gz BIFQSSLJMRADIZ-GNUZOCDUSA-N 0 0 430.957 5.808 40 30 IKEBRN C=CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1OCC ZINC000214841566 556551764 /nfs/dbraw/zinc/55/17/64/556551764.db2.gz RZJKYQWSDCSKFZ-LFVJCYFKSA-N 0 0 445.540 6.040 40 30 IKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1 ZINC000408954292 556556716 /nfs/dbraw/zinc/55/67/16/556556716.db2.gz SIGNLWCUSUUNTJ-UNOMPAQXSA-N 0 0 444.343 5.684 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 ZINC000408954241 556556837 /nfs/dbraw/zinc/55/68/37/556556837.db2.gz SBNFNGJSYURMBU-HZHRSRAPSA-N 0 0 448.519 5.695 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000408959960 556561750 /nfs/dbraw/zinc/56/17/50/556561750.db2.gz BCDAJMYHKZKEIZ-OEAKJJBVSA-N 0 0 429.589 6.219 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1Cc1ccccc1 ZINC000408959655 556562635 /nfs/dbraw/zinc/56/26/35/556562635.db2.gz CPNMSOOVXDAKIB-PAPBZEPUSA-N 0 0 439.584 6.091 40 30 IKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O ZINC000408959808 556562895 /nfs/dbraw/zinc/56/28/95/556562895.db2.gz GEUSAIZGBUKICA-ODLFYWEKSA-N 0 0 432.376 5.794 40 30 IKEBRN CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc2ccccc2c1 ZINC000408961610 556564583 /nfs/dbraw/zinc/56/45/83/556564583.db2.gz SYDDEWQKIHYISQ-SIFMURAYSA-N 0 0 427.573 6.064 40 30 IKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1Cl ZINC000033642669 556566615 /nfs/dbraw/zinc/56/66/15/556566615.db2.gz JAAXZVVNTVTQDX-OYKKKHCWSA-N 0 0 425.872 5.672 40 30 IKEBRN CCOc1ccccc1NC(=O)c1c(/N=C\c2sccc2C)sc2c1CCCCC2 ZINC000015945623 556566879 /nfs/dbraw/zinc/56/68/79/556566879.db2.gz BRUXYNJBJZBKEK-MYYYXRDXSA-N 0 0 438.618 6.789 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)S2)cc1 ZINC000408963280 556568246 /nfs/dbraw/zinc/56/82/46/556568246.db2.gz YSHIFXJFFWLUIC-OEAKJJBVSA-N 0 0 431.561 5.611 40 30 IKEBRN CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000408963509 556568945 /nfs/dbraw/zinc/56/89/45/556568945.db2.gz FGPRNBDUEJCSCE-OVVQPSECSA-N 0 0 432.589 6.809 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)S2)cc1 ZINC000408964314 556570777 /nfs/dbraw/zinc/57/07/77/556570777.db2.gz QSJSVBQYXZPGAJ-HYARGMPZSA-N 0 0 434.492 5.305 40 30 IKEBRN CCOc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OCC ZINC000408964929 556571898 /nfs/dbraw/zinc/57/18/98/556571898.db2.gz IOXXKYBTBVZICF-GZTJUZNOSA-N 0 0 437.348 5.682 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408965210 556573769 /nfs/dbraw/zinc/57/37/69/556573769.db2.gz HIIVFHGAOBTDNA-IWIPYMOSSA-N 0 0 438.556 5.842 40 30 IKEBRN Cc1cccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1C ZINC000408965286 556575097 /nfs/dbraw/zinc/57/50/97/556575097.db2.gz JXICEEYEPOOCMX-XDHOZWIPSA-N 0 0 442.371 6.293 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccccc2)cc1 ZINC000408966530 556575839 /nfs/dbraw/zinc/57/58/39/556575839.db2.gz OZYAGKSRVSWVMG-CPNJWEJPSA-N 0 0 425.340 6.552 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3Cl)c2C)c1 ZINC000408967732 556576398 /nfs/dbraw/zinc/57/63/98/556576398.db2.gz UDCYBTWBGGMYKB-VULFUBBASA-N 0 0 438.911 5.461 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Br)c(C)c3)c2C)c1 ZINC000408968573 556577319 /nfs/dbraw/zinc/57/73/19/556577319.db2.gz XMKRYKCDMPHIFJ-AFUMVMLFSA-N 0 0 439.353 6.092 40 30 IKEBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)c2C)cc1 ZINC000408966227 556578830 /nfs/dbraw/zinc/57/88/30/556578830.db2.gz NVZKTJYHPWQQGV-LFVJCYFKSA-N 0 0 447.579 6.467 40 30 IKEBRN COc1cc(-c2nc3ccccn3c2/N=C/c2ccc(-c3ccc(F)cc3F)o2)ccc1O ZINC000016196048 556590455 /nfs/dbraw/zinc/59/04/55/556590455.db2.gz ZIMVYWSLUPXFAQ-CCVNUDIWSA-N 0 0 445.425 6.004 40 30 IKEBRN CCOc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1O ZINC000408970786 556590926 /nfs/dbraw/zinc/59/09/26/556590926.db2.gz KFXNCOWSICEZAU-WPWMEQJKSA-N 0 0 448.588 6.514 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc1OCc1ccccc1F ZINC000016227618 556593281 /nfs/dbraw/zinc/59/32/81/556593281.db2.gz MIYFSRPUHNPORV-HYARGMPZSA-N 0 0 434.492 5.305 40 30 IKEBRN Cc1c(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c2ccccc2n1Cc1ccccc1 ZINC000016249808 556594583 /nfs/dbraw/zinc/59/45/83/556594583.db2.gz NSZQLECCNNSTQZ-IWIPYMOSSA-N 0 0 441.531 6.029 40 30 IKEBRN Cc1cc(Br)c(O)c(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1 ZINC000016267119 556595617 /nfs/dbraw/zinc/59/56/17/556595617.db2.gz KFZFBUKCLKMSKN-BHGWPJFGSA-N 0 0 443.263 5.069 40 30 IKEBRN Cc1ccc(/C(CCCCCCCCCC/C(=N\O)c2ccc(C)cc2O)=N/O)c(O)c1 ZINC000016291065 556597617 /nfs/dbraw/zinc/59/76/17/556597617.db2.gz QPVDDKNWUHWKDG-LMCGJEQXSA-N 0 0 440.584 6.672 40 30 IKEBRN Cc1ccc2c(c1)C(N=Nc1ncnc3sc4c(c31)CCCC4)C[C@H](c1ccccc1)O2 ZINC000016348139 556601828 /nfs/dbraw/zinc/60/18/28/556601828.db2.gz XTDFSYOBMUEUFA-FSLDEXMDSA-N 0 0 440.572 6.219 40 30 IKEBRN COc1ccc(Br)c(/C=N\c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O ZINC000016348673 556602091 /nfs/dbraw/zinc/60/20/91/556602091.db2.gz BJONPJXGOYZKPA-MSXFZWOLSA-N 0 0 437.293 6.031 40 30 IKEBRN Cc1cc(/C=N/NC(=S)Nc2cccc(C)c2C)c(C)n1-c1ccc(Cl)c(F)c1 ZINC000016362118 556602878 /nfs/dbraw/zinc/60/28/78/556602878.db2.gz UWIMOCFSWWFDOS-BRJLIKDPSA-N 0 0 428.964 5.824 40 30 IKEBRN Clc1ccc(COc2cccc(/C=N/c3ccc(Br)cc3)c2)c(Cl)c1 ZINC000016399590 556605241 /nfs/dbraw/zinc/60/52/41/556605241.db2.gz QOKDXBJCLFODJQ-WYMPLXKRSA-N 0 0 435.148 7.086 40 30 IKEBRN N#CC(N=Nc1cccc(C(F)(F)F)c1)=NNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000016399228 556605267 /nfs/dbraw/zinc/60/52/67/556605267.db2.gz POURWCQMABBBRZ-YNWJTUIPSA-N 0 0 430.268 5.665 40 30 IKEBRN O=C(Nc1ccc(/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1)c1ccco1 ZINC000016430188 556607293 /nfs/dbraw/zinc/60/72/93/556607293.db2.gz ZVWBBLQHMVGUSE-DHRITJCHSA-N 0 0 425.271 6.849 40 30 IKEBRN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000016449847 556609211 /nfs/dbraw/zinc/60/92/11/556609211.db2.gz DTGOSLVVQYMMSV-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN N#C[C@@H](N=C(c1ccccc1)c1ccccc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000016451213 556609751 /nfs/dbraw/zinc/60/97/51/556609751.db2.gz LVIHSCNQUPCKOS-IAPPQJPRSA-N 0 0 435.958 6.923 40 30 IKEBRN Fc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(Br)cc2)cc1 ZINC000016525805 556614313 /nfs/dbraw/zinc/61/43/13/556614313.db2.gz PHUPUVJKHSSNDI-JFLMPSFJSA-N 0 0 434.308 7.071 40 30 IKEBRN O=C1C=CC(=NNc2ccc(Cl)cc2Cl)C=C1C=[NH+][N-]c1nc2ccccc2s1 ZINC000016545389 556614662 /nfs/dbraw/zinc/61/46/62/556614662.db2.gz OMUUILJZYRYNHW-VCVGAWJTSA-N 0 0 442.331 7.170 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1C ZINC000408974662 556615355 /nfs/dbraw/zinc/61/53/55/556615355.db2.gz GIJGKMHJHHXOAS-MFKUBSTISA-N 0 0 428.517 6.448 40 30 IKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(C=Nc3ccc(C(C)=O)cc3)cc2)cc1 ZINC000016638585 556619369 /nfs/dbraw/zinc/61/93/69/556619369.db2.gz ZHBYWPJVGXBQLM-TURZUDJPSA-N 0 0 429.516 6.428 40 30 IKEBRN CCCCCCCCNC(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408975723 556620024 /nfs/dbraw/zinc/62/00/24/556620024.db2.gz MBDNYOSOLQRMSS-UHFFFAOYSA-N 0 0 437.547 5.970 40 30 IKEBRN O=C(/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)c2ccco2)cc1 ZINC000016669839 556621548 /nfs/dbraw/zinc/62/15/48/556621548.db2.gz BNBFJTGHJVKGIV-ACCUITESSA-N 0 0 428.400 5.596 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224373616 556621600 /nfs/dbraw/zinc/62/16/00/556621600.db2.gz UMXZIHLBTAWZLF-UHFFFAOYSA-N 0 0 434.561 5.245 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224373311 556621946 /nfs/dbraw/zinc/62/19/46/556621946.db2.gz WVVUPVOBFHHOIT-UHFFFAOYSA-N 0 0 444.915 5.113 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224369855 556621962 /nfs/dbraw/zinc/62/19/62/556621962.db2.gz FNKAISCUATURPH-UHFFFAOYSA-N 0 0 434.561 5.444 40 30 IKEBRN C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224376780 556622003 /nfs/dbraw/zinc/62/20/03/556622003.db2.gz VDEVGWINHZPMFQ-NRFANRHFSA-N 0 0 448.588 5.176 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2cccc(SC)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224373234 556622008 /nfs/dbraw/zinc/62/20/08/556622008.db2.gz LUFBPHOMEUBFMM-UHFFFAOYSA-N 0 0 438.574 5.042 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224372304 556622356 /nfs/dbraw/zinc/62/23/56/556622356.db2.gz AJOKNSUCKLZWAF-UHFFFAOYSA-N 0 0 440.952 5.282 40 30 IKEBRN CCN(CC)c1ccc(/N=C2\c3nnc(-c4ccccc4)n3N=C2c2ccccc2)c(C)c1 ZINC000016678401 556623292 /nfs/dbraw/zinc/62/32/92/556623292.db2.gz MLTBAGXUXZANGK-FVDSYPCUSA-N 0 0 434.547 5.487 40 30 IKEBRN C/C=C/[C@@H]1C(C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)=CC(C)=C2CC[C@@H](C)C[C@@H]21 ZINC000514287857 556624625 /nfs/dbraw/zinc/62/46/25/556624625.db2.gz FCQPLAILVSLWDT-CEGFQKHLSA-N 0 0 431.532 5.933 40 30 biogenic,in-vitro IKEBRN C=CCN(Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224472069 556628643 /nfs/dbraw/zinc/62/86/43/556628643.db2.gz RSINECYTIKMUPS-UHFFFAOYSA-N 0 0 448.588 5.439 40 30 IKEBRN C=CCN(Cc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224471990 556628969 /nfs/dbraw/zinc/62/89/69/556628969.db2.gz WSHXWFQMWOIKCY-UHFFFAOYSA-N 0 0 448.588 5.241 40 30 IKEBRN C=CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1OC ZINC000408977424 556630160 /nfs/dbraw/zinc/63/01/60/556630160.db2.gz IWQRCRROVTZSHX-WPWMEQJKSA-N 0 0 432.589 7.182 40 30 IKEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)c1 ZINC000224563973 556636071 /nfs/dbraw/zinc/63/60/71/556636071.db2.gz XNJXODZWHQJYBW-UHFFFAOYSA-N 0 0 436.533 5.003 40 30 IKEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 ZINC000224564114 556636347 /nfs/dbraw/zinc/63/63/47/556636347.db2.gz SSECLKUOCVAZEX-UHFFFAOYSA-N 0 0 436.533 5.003 40 30 IKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 ZINC000224564472 556636376 /nfs/dbraw/zinc/63/63/76/556636376.db2.gz RAINAGUETWQXEC-UHFFFAOYSA-N 0 0 442.537 5.157 40 30 IKEBRN C=CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224628347 556638468 /nfs/dbraw/zinc/63/84/68/556638468.db2.gz NDXVKIGZVDGAES-UHFFFAOYSA-N 0 0 441.163 5.690 40 30 IKEBRN C=CCN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224622196 556638537 /nfs/dbraw/zinc/63/85/37/556638537.db2.gz DGVGFPCMYZFUMR-UHFFFAOYSA-N 0 0 436.744 5.045 40 30 IKEBRN C=CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224713079 556642915 /nfs/dbraw/zinc/64/29/15/556642915.db2.gz PKPJZFBKWMCCMM-UHFFFAOYSA-N 0 0 442.024 6.189 40 30 IKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408979503 556651988 /nfs/dbraw/zinc/65/19/88/556651988.db2.gz RFDHIRDGSVSATE-SIFZUIMESA-N 0 0 426.585 7.037 40 30 IKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)ccc1Cl ZINC000003113767 556656338 /nfs/dbraw/zinc/65/63/38/556656338.db2.gz SZBJXSGYSKPHSZ-YSURURNPSA-N 0 0 446.677 7.114 40 30 IKEBRN COc1cc(C=NNc2ccc(Cl)c(Cl)c2)c(Br)cc1OCC#N ZINC000013914800 556662115 /nfs/dbraw/zinc/66/21/15/556662115.db2.gz GCUZUQMSLWDUCZ-ZVBGSRNCSA-N 0 0 429.101 5.113 40 30 IKEBRN Clc1ccc(-n2c(-c3ccccc3)cc(C=NNc3ccccc3)c2-c2ccccc2)cc1 ZINC000083306400 556663188 /nfs/dbraw/zinc/66/31/88/556663188.db2.gz MWKXJYUWUBGBNQ-YQYKVWLJSA-N 0 0 447.969 7.911 40 30 IKEBRN COc1cc(OC)c(NC(=O)O/N=C(/c2ccccc2)[C@@H](O)c2ccccc2)cc1Cl ZINC000017109493 556667612 /nfs/dbraw/zinc/66/76/12/556667612.db2.gz ATRLTKZSJCYHPY-UPMFUBJASA-N 0 0 440.883 5.044 40 30 IKEBRN C=CCN(c1ccc(Br)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224941485 556668041 /nfs/dbraw/zinc/66/80/41/556668041.db2.gz MLIYELDWKUEKEG-UHFFFAOYSA-N 0 0 439.133 5.276 40 30 IKEBRN O=C1/C(=N/c2cccc(Cl)c2)C[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000017301180 556675077 /nfs/dbraw/zinc/67/50/77/556675077.db2.gz OYOJRJRPTJFBDY-QRUUQNQBSA-N 0 0 429.734 6.898 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NC(c2ccc3ccccc3c2)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000017378976 556676964 /nfs/dbraw/zinc/67/69/64/556676964.db2.gz QCCOHKTWKGLEBJ-WNAAXNPUSA-N 0 0 430.395 5.660 40 30 IKEBRN Nc1nc(N)c(/C=N/c2ccc(Cl)c(Cl)c2)c(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000017417974 556677051 /nfs/dbraw/zinc/67/70/51/556677051.db2.gz AAEQOPSKNYFFRG-HCBMXOAHSA-N 0 0 442.137 5.749 40 30 IKEBRN C=CCN(c1ccc(C(=O)OCC)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225066709 556677123 /nfs/dbraw/zinc/67/71/23/556677123.db2.gz LYTLNWIQHNLRDU-UHFFFAOYSA-N 0 0 429.925 5.051 40 30 IKEBRN Clc1ccccc1CN=Nc1nnc(N=NCc2ccccc2Cl)c2ccccc21 ZINC000017418115 556677174 /nfs/dbraw/zinc/67/71/74/556677174.db2.gz LPOIDRKFQZSROR-BKHCZYBLSA-N 0 0 435.318 5.829 40 30 IKEBRN O=C(CSc1nnc(-c2ccc(/N=C\c3ccc(Cl)cc3)cc2)o1)Nc1ccccc1 ZINC000017837696 556679797 /nfs/dbraw/zinc/67/97/97/556679797.db2.gz OTJMMQITYHDSEI-QFEZKATASA-N 0 0 448.935 5.871 40 30 IKEBRN C(=N/CC/N=C/c1cc2c(c3ccccc13)CCCC2)\c1cc2c(c3ccccc13)CCCC2 ZINC000018038374 556682196 /nfs/dbraw/zinc/68/21/96/556682196.db2.gz VWIPOQXEVCQEGP-WXGDAXOSSA-N 0 0 444.622 7.289 40 30 IKEBRN CCOC(=O)c1ccc(NC(=O)c2c(/N=C\c3cccnc3)sc3c2CCCCC3)cc1 ZINC000018066129 556682708 /nfs/dbraw/zinc/68/27/08/556682708.db2.gz AZXGPZNTHBRUJB-YUMHPJSZSA-N 0 0 447.560 5.592 40 30 IKEBRN C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(OC)cc3)OC2)c2ccccc12 ZINC000225916869 556683061 /nfs/dbraw/zinc/68/30/61/556683061.db2.gz VTXHKTVDJYUBGP-UHFFFAOYSA-N 0 0 433.504 5.104 40 30 IKEBRN C=CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(F)(F)F ZINC000225955477 556683424 /nfs/dbraw/zinc/68/34/24/556683424.db2.gz UGMWDHNWQRMQOO-UHFFFAOYSA-N 0 0 437.889 6.764 40 30 IKEBRN C=CCOC(=O)c1ccc2oc(-c3cc(I)ccc3Cl)nc2c1 ZINC000226317748 556684292 /nfs/dbraw/zinc/68/42/92/556684292.db2.gz QZZYJVZRCJKRBN-UHFFFAOYSA-N 0 0 439.636 5.096 40 30 IKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccc(C(C)(C)C)cc3)S2)cc(C)c1Br ZINC000408761101 556687465 /nfs/dbraw/zinc/68/74/65/556687465.db2.gz HUEPTSXWCUJHOQ-PDGQHHTCSA-N 0 0 443.410 6.255 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)c2C)cc1 ZINC000408761145 556687841 /nfs/dbraw/zinc/68/78/41/556687841.db2.gz CHDXHHUPIYIUAN-XKZIYDEJSA-N 0 0 435.980 6.202 40 30 IKEBRN COc1cc([N+](=O)[O-])ccc1/N=C/c1ccc(/C=N\c2ccc([N+](=O)[O-])cc2OC)cc1 ZINC000018268054 556688831 /nfs/dbraw/zinc/68/88/31/556688831.db2.gz HFSFGVIBVDLEPX-NQGGHMMCSA-N 0 0 434.408 5.021 40 30 IKEBRN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 ZINC000000780246 556693520 /nfs/dbraw/zinc/69/35/20/556693520.db2.gz VPVRQAWKLIZSLD-UHFFFAOYSA-N 0 0 443.543 5.284 40 30 IKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccc(Sc2cccc3cccnc32)o1 ZINC000408989581 556695869 /nfs/dbraw/zinc/69/58/69/556695869.db2.gz IOIUVRLVXLPITM-UYRXBGFRSA-N 0 0 447.516 6.010 40 30 IKEBRN N#Cc1ccc(-c2ccc(Cl)c(Cl)c2)nc1Sc1ccc([N+](=O)[O-])cc1C=O ZINC000013573877 556697937 /nfs/dbraw/zinc/69/79/37/556697937.db2.gz WRTWEFAMKIMDKT-UHFFFAOYSA-N 0 0 430.272 5.799 40 30 IKEBRN CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)sc2c1 ZINC000261526891 556698755 /nfs/dbraw/zinc/69/87/55/556698755.db2.gz OUIDRWSIIXKRIW-LBPRGKRZSA-N 0 0 443.619 5.484 40 30 IKEBRN N#Cc1c2c(sc1NC(=O)CSc1nc3ccccc3o1)C[C@H](c1ccccc1)CC2 ZINC000261527067 556698762 /nfs/dbraw/zinc/69/87/62/556698762.db2.gz YFPHPUYRLVSZIV-MRXNPFEDSA-N 0 0 445.569 5.764 40 30 IKEBRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)cc1 ZINC000261526840 556698811 /nfs/dbraw/zinc/69/88/11/556698811.db2.gz MYZVKPYMLJBQFQ-UHFFFAOYSA-N 0 0 427.451 5.678 40 30 IKEBRN CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)sc2c1 ZINC000261526890 556698856 /nfs/dbraw/zinc/69/88/56/556698856.db2.gz OUIDRWSIIXKRIW-GFCCVEGCSA-N 0 0 443.619 5.484 40 30 IKEBRN N#Cc1ccccc1COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1 ZINC000408991674 556708713 /nfs/dbraw/zinc/70/87/13/556708713.db2.gz QWSDCXDBCZFEFB-UHFFFAOYSA-N 0 0 427.529 5.783 40 30 IKEBRN Cc1cc(/C=N/n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1c(C)cccc1C ZINC000408997849 556710102 /nfs/dbraw/zinc/71/01/02/556710102.db2.gz OIHNZKGPACKYCE-UVHMKAGCSA-N 0 0 430.577 5.243 40 30 IKEBRN CCCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(OC)cc2)NC1=O ZINC000409005610 556713241 /nfs/dbraw/zinc/71/32/41/556713241.db2.gz FNSJLDBUVOJQBG-XQNSMLJCSA-N 0 0 432.545 5.919 40 30 IKEBRN CCOc1ccc(N=C2S/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N2CC)cc1 ZINC000409011489 556715594 /nfs/dbraw/zinc/71/55/94/556715594.db2.gz NNBPCPBBCYIQDO-DRIWLZCMSA-N 0 0 436.508 6.108 40 30 IKEBRN COc1cccc(/C=C2\SC(=Nc3ccc4ncccc4c3)N(C)C2=O)c1OC(C)C ZINC000409014624 556716842 /nfs/dbraw/zinc/71/68/42/556716842.db2.gz XQBXMEMYSRAGOG-UDYULTBOSA-N 0 0 433.533 5.264 40 30 IKEBRN Cc1ccc(-n2cccc2/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl ZINC000409016794 556720232 /nfs/dbraw/zinc/72/02/32/556720232.db2.gz VTFGPRBGMCHBJB-UXHLAJHPSA-N 0 0 429.007 7.658 40 30 IKEBRN CC(C)COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000409022360 556724362 /nfs/dbraw/zinc/72/43/62/556724362.db2.gz LLBOXWXPFAKBHM-JVWAILMASA-N 0 0 432.589 6.665 40 30 IKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)cc1Cl ZINC000409022155 556724393 /nfs/dbraw/zinc/72/43/93/556724393.db2.gz GURJLEVGYGCAIQ-VULFUBBASA-N 0 0 438.980 6.600 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409022159 556724432 /nfs/dbraw/zinc/72/44/32/556724432.db2.gz GYYNXXUGRQBAIP-VXLYETTFSA-N 0 0 425.579 5.351 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)nn2-c2ccccc2)ccc1OC(=O)c1ccccc1 ZINC000409025714 556726716 /nfs/dbraw/zinc/72/67/16/556726716.db2.gz ZLFKMCVQEURRHE-OVVQPSECSA-N 0 0 425.488 5.549 40 30 IKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000000876572 556729362 /nfs/dbraw/zinc/72/93/62/556729362.db2.gz BYOAWBJIXZAHMY-JOCHJYFZSA-N 0 0 441.358 5.908 40 30 IKEBRN Cc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1Cc1ccc(F)cc1 ZINC000409034939 556744409 /nfs/dbraw/zinc/74/44/09/556744409.db2.gz IOLVQJQPVJXNRP-VYVUJPJFSA-N 0 0 449.345 5.851 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O ZINC000409043132 556749864 /nfs/dbraw/zinc/74/98/64/556749864.db2.gz PZEZPSRAQNWNHA-WOJGMQOQSA-N 0 0 432.328 5.550 40 30 IKEBRN Oc1cccc(/N=C/c2cc(Cc3ccc(O)c(/C=N/c4cccc(O)c4)c3)ccc2O)c1 ZINC000001068642 556749893 /nfs/dbraw/zinc/74/98/93/556749893.db2.gz UOAMGJDMPVMDBH-LPHFKDDMSA-N 0 0 438.483 5.601 40 30 IKEBRN CCC1=C(CC)[C@H](CC)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O ZINC000001108190 556750338 /nfs/dbraw/zinc/75/03/38/556750338.db2.gz BQIGNKOHMRZTIZ-HOYKHHGWSA-N 0 0 425.594 5.744 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000409050019 556754547 /nfs/dbraw/zinc/75/45/47/556754547.db2.gz ZMPOQDNCVGDUOF-LICLKQGHSA-N 0 0 436.291 5.381 40 30 IKEBRN COc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409045586 556755361 /nfs/dbraw/zinc/75/53/61/556755361.db2.gz ZMRNHUMVRBUZFE-UHFFFAOYSA-N 0 0 449.374 6.402 40 30 IKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000409058201 556755931 /nfs/dbraw/zinc/75/59/31/556755931.db2.gz JBISSNNKLIMJLH-MTDXEUNCSA-N 0 0 449.664 6.349 40 30 IKEBRN O=C(NC1CCCCC1)c1c2c(sc1/N=C/c1ccc(N3CCCCC3)cc1)CCCC2 ZINC000409057576 556755998 /nfs/dbraw/zinc/75/59/98/556755998.db2.gz KDFHEOFIEUWHFM-TURZUDJPSA-N 0 0 449.664 6.430 40 30 IKEBRN CC(N=Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(OCc2ccccc2)cc1 ZINC000409053673 556758025 /nfs/dbraw/zinc/75/80/25/556758025.db2.gz OBIZVZVQHGGSOW-YZSQISJMSA-N 0 0 444.516 6.133 40 30 IKEBRN CCOc1cc(CN=Nc2nc(C)cs2)ccc1OC(=O)c1ccc(C(C)(C)C)cc1 ZINC000409056245 556759255 /nfs/dbraw/zinc/75/92/55/556759255.db2.gz GCAIQTWCECYYDX-AFUMVMLFSA-N 0 0 437.565 5.813 40 30 IKEBRN CCOC(=O)c1c(/N=C\c2cc(C)n(-c3cccc(C)c3C)c2C)sc2c1CCCC2 ZINC000409062942 556759717 /nfs/dbraw/zinc/75/97/17/556759717.db2.gz DFVNRQSXWMRFOK-DICXZTSXSA-N 0 0 434.605 6.579 40 30 IKEBRN COc1ccc(/C=N\c2sc3c(c2C#N)CCCC3)cc1Oc1nc(Cl)ncc1F ZINC000409063786 556759924 /nfs/dbraw/zinc/75/99/24/556759924.db2.gz NHSLCJXCABCUDI-MRUKODCESA-N 0 0 442.903 5.633 40 30 IKEBRN O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1ccc(N2CCCC2)c(F)c1 ZINC000409064149 556760261 /nfs/dbraw/zinc/76/02/61/556760261.db2.gz BXSALTKUTIQAJN-PDGQHHTCSA-N 0 0 446.345 5.080 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)C1=O ZINC000409067516 556771642 /nfs/dbraw/zinc/77/16/42/556771642.db2.gz RBMCPACFNPGLBH-WOJGMQOQSA-N 0 0 448.313 5.390 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C1=O ZINC000409069691 556773960 /nfs/dbraw/zinc/77/39/60/556773960.db2.gz XCOJUEJFMQHWFH-XDHOZWIPSA-N 0 0 429.925 5.458 40 30 IKEBRN Cc1c(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000409071273 556774494 /nfs/dbraw/zinc/77/44/94/556774494.db2.gz QGVJZDDCWZCKHM-VFLNYLIXSA-N 0 0 442.872 6.511 40 30 IKEBRN COc1cc2c(cc1/C=C1/S/C(=N\C3CCCCC3)N(C3CCCCC3)C1=O)OCO2 ZINC000409071574 556774501 /nfs/dbraw/zinc/77/45/01/556774501.db2.gz KGLYGXZGXBNVOY-HTQRFZLASA-N 0 0 442.581 5.362 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 ZINC000409070638 556774508 /nfs/dbraw/zinc/77/45/08/556774508.db2.gz DEQOOEQLSLYSTN-LGJNPRDNSA-N 0 0 446.429 5.866 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C1=O ZINC000409071580 556774613 /nfs/dbraw/zinc/77/46/13/556774613.db2.gz KIJFMRPLKIIPKL-GIDUJCDVSA-N 0 0 425.249 5.384 40 30 IKEBRN C=CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC ZINC000409073280 556775900 /nfs/dbraw/zinc/77/59/00/556775900.db2.gz LVGBAKWGTJUZHI-UHFFFAOYSA-N 0 0 434.532 5.507 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 ZINC000409073766 556776167 /nfs/dbraw/zinc/77/61/67/556776167.db2.gz IIWWFGDWRSVZFF-LPYMAVHISA-N 0 0 430.869 5.075 40 30 IKEBRN Fc1cnc(Cl)nc1Oc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2s1 ZINC000409075737 556776696 /nfs/dbraw/zinc/77/66/96/556776696.db2.gz ZXTDMHYTZNBKBT-KBKYJPHKSA-N 0 0 449.898 6.270 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000409075556 556776749 /nfs/dbraw/zinc/77/67/49/556776749.db2.gz WXOMGFIEMCRXGG-OPVMPGTRSA-N 0 0 444.196 6.626 40 30 IKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccccc1Cl ZINC000409069409 556777231 /nfs/dbraw/zinc/77/72/31/556777231.db2.gz XPACNBBIKXVPBI-CVKSISIWSA-N 0 0 436.895 6.315 40 30 IKEBRN Clc1ccc(Sc2ccc(/C=N\c3ccccc3I)cc2)cc1 ZINC000409069502 556777456 /nfs/dbraw/zinc/77/74/56/556777456.db2.gz JHTGPWJULJTFPE-XKZIYDEJSA-N 0 0 449.744 6.846 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c([N+](=O)[O-])c1 ZINC000409078220 556779010 /nfs/dbraw/zinc/77/90/10/556779010.db2.gz HBBDFRAXSUHYBN-CFRMEGHHSA-N 0 0 436.468 5.122 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3c4ccccc4[nH]c3-c3ccccc3)sc2C1 ZINC000409077204 556781594 /nfs/dbraw/zinc/78/15/94/556781594.db2.gz DKYFSTVWMRRKPT-WMMCOQJOSA-N 0 0 437.612 7.670 40 30 IKEBRN Cc1ccc(C)c2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)cc12 ZINC000001354281 556781726 /nfs/dbraw/zinc/78/17/26/556781726.db2.gz QLXNNUKHUUWNIA-UHFFFAOYSA-N 0 0 432.574 5.266 40 30 IKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br ZINC000409081633 556789405 /nfs/dbraw/zinc/78/94/05/556789405.db2.gz HHGZFWRGSAMODD-HZZGJGATSA-N 0 0 431.399 6.292 40 30 IKEBRN COc1cccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c1OC ZINC000409081659 556789481 /nfs/dbraw/zinc/78/94/81/556789481.db2.gz HMNNPPCSCUYFEY-QLIPUSLZSA-N 0 0 430.957 5.617 40 30 IKEBRN CCOC(=O)Cn1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc21 ZINC000409083464 556790210 /nfs/dbraw/zinc/79/02/10/556790210.db2.gz VLDHTKAMZQMTKS-BFWPAWLWSA-N 0 0 447.604 6.039 40 30 IKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000409085767 556790470 /nfs/dbraw/zinc/79/04/70/556790470.db2.gz ZEBKURZTNPUTMP-JLPGSUDCSA-N 0 0 435.479 5.772 40 30 IKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCc1ccc(F)cc1 ZINC000409085378 556790643 /nfs/dbraw/zinc/79/06/43/556790643.db2.gz OHXIDPUUSWEQLZ-HAHDFKILSA-N 0 0 443.474 5.486 40 30 IKEBRN O=C(NCc1ccco1)c1c2c(sc1/N=C/c1ccc(N3CCCCC3)cc1)CCCC2 ZINC000409085727 556790648 /nfs/dbraw/zinc/79/06/48/556790648.db2.gz ZTOZTFXFHUMEAC-OGLMXYFKSA-N 0 0 447.604 5.891 40 30 IKEBRN COc1cc(Br)cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1O ZINC000409084947 556790716 /nfs/dbraw/zinc/79/07/16/556790716.db2.gz YNMTVEOYESMOAX-DDFZXGMKSA-N 0 0 447.398 5.998 40 30 IKEBRN COC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cc1 ZINC000409087140 556791262 /nfs/dbraw/zinc/79/12/62/556791262.db2.gz GMBKEGDHTYEQMI-OVNWTWFZSA-N 0 0 446.572 6.568 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409088080 556791460 /nfs/dbraw/zinc/79/14/60/556791460.db2.gz FAFYUHKKPYZIPR-UNOMPAQXSA-N 0 0 434.835 5.172 40 30 IKEBRN COc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1OC ZINC000409088124 556791463 /nfs/dbraw/zinc/79/14/63/556791463.db2.gz DHQWUOQZMWUCGU-PUMVZNGMSA-N 0 0 427.526 5.447 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409087885 556791704 /nfs/dbraw/zinc/79/17/04/556791704.db2.gz UUXKMDDEUZCNQY-ZDLGFXPLSA-N 0 0 442.273 6.056 40 30 IKEBRN C=CCOc1ccccc1/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O ZINC000409090656 556792565 /nfs/dbraw/zinc/79/25/65/556792565.db2.gz MXDGXSKCZNMWHQ-AJGXWLHTSA-N 0 0 440.568 5.924 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl ZINC000409092726 556792760 /nfs/dbraw/zinc/79/27/60/556792760.db2.gz WAVXKRWPFGOZRN-ACWMPWAISA-N 0 0 448.975 6.937 40 30 IKEBRN FC(F)(F)c1ccc(N=NCc2cn(Cc3ccccc3Cl)c3ccccc23)nc1 ZINC000409092857 556792849 /nfs/dbraw/zinc/79/28/49/556792849.db2.gz ZWFGZZZVHHLITR-IPBVOBEMSA-N 0 0 428.845 6.203 40 30 IKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409093168 556793674 /nfs/dbraw/zinc/79/36/74/556793674.db2.gz XSPBQQHZORTULE-BKBIYGFMSA-N 0 0 446.616 6.911 40 30 IKEBRN CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1C#N ZINC000409093880 556793801 /nfs/dbraw/zinc/79/38/01/556793801.db2.gz BIBUPVHGOFDSFR-OYKKKHCWSA-N 0 0 428.513 5.621 40 30 IKEBRN Cc1ccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000409094572 556793970 /nfs/dbraw/zinc/79/39/70/556793970.db2.gz DVQOIPIECIYODB-LGJNPRDNSA-N 0 0 429.398 5.947 40 30 IKEBRN Cc1ccc(COc2ccccc2CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409096120 556794773 /nfs/dbraw/zinc/79/47/73/556794773.db2.gz JIDMBAJWRJPXCW-LGJNPRDNSA-N 0 0 429.398 5.947 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(OCc2ccccc2Cl)cc1 ZINC000409096262 556794842 /nfs/dbraw/zinc/79/48/42/556794842.db2.gz DATYQXJGVFAVET-RPPGKUMJSA-N 0 0 449.816 6.292 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cccn1-c1cccc(C(F)(F)F)c1 ZINC000409098654 556795612 /nfs/dbraw/zinc/79/56/12/556795612.db2.gz JANSLWKJABWMDJ-KBKYJPHKSA-N 0 0 442.319 5.869 40 30 IKEBRN COc1ccc(Oc2ccc(NC=CC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1 ZINC000409104748 556797812 /nfs/dbraw/zinc/79/78/12/556797812.db2.gz FHRGBSAXRBGBKS-BUHFOSPRSA-N 0 0 435.476 5.322 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C1=O ZINC000409105183 556798037 /nfs/dbraw/zinc/79/80/37/556798037.db2.gz HEVJQIBJTDXRKL-LDADJPATSA-N 0 0 430.323 5.250 40 30 IKEBRN O=[N+]([O-])c1ccc(Oc2ccc(CN=Nc3ccc(C(F)(F)F)cn3)cc2)c([N+](=O)[O-])c1 ZINC000409107325 556798579 /nfs/dbraw/zinc/79/85/79/556798579.db2.gz QXQHLCRULNBHGV-YSURURNPSA-N 0 0 447.329 5.155 40 30 IKEBRN COCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)SC1=Nc1ccccc1 ZINC000409107021 556799419 /nfs/dbraw/zinc/79/94/19/556799419.db2.gz OHONLPNRWZDRDZ-LXDPFISSSA-N 0 0 439.556 5.066 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409109141 556799551 /nfs/dbraw/zinc/79/95/51/556799551.db2.gz YJGVWXRGDXDZQJ-BHGWPJFGSA-N 0 0 447.373 5.375 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccc(OC)cc1 ZINC000409109674 556800092 /nfs/dbraw/zinc/80/00/92/556800092.db2.gz JDNKXHNQAROMHE-UHFFFAOYSA-N 0 0 427.136 5.397 40 30 IKEBRN O=C(NC1CCCCC1)c1c2c(sc1N=C1C(=O)Nc3ccc(Cl)cc31)CCCC2 ZINC000409109761 556800095 /nfs/dbraw/zinc/80/00/95/556800095.db2.gz KUEGKDSNNCMFQL-UHFFFAOYSA-N 0 0 441.984 5.416 40 30 IKEBRN C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409111505 556801183 /nfs/dbraw/zinc/80/11/83/556801183.db2.gz DABCOFNRGKINNV-UHFFFAOYSA-N 0 0 428.359 6.922 40 30 IKEBRN C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409112506 556802598 /nfs/dbraw/zinc/80/25/98/556802598.db2.gz GNBCHNPKXAXUBI-UHFFFAOYSA-N 0 0 437.561 5.502 40 30 IKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(F)c1 ZINC000409112609 556802946 /nfs/dbraw/zinc/80/29/46/556802946.db2.gz FJTIRCGOHYPPAF-BRJLIKDPSA-N 0 0 444.850 5.206 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409112212 556803115 /nfs/dbraw/zinc/80/31/15/556803115.db2.gz BWBODKZGTFNXMT-UHFFFAOYSA-N 0 0 439.958 7.106 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409112989 556803271 /nfs/dbraw/zinc/80/32/71/556803271.db2.gz HOCZXQMJVXLXOR-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN Cc1cc(/C=N/N2CCN(c3ccc(Cl)cc3)CC2)c(C)n1-c1ccccc1Cl ZINC000003167153 556803732 /nfs/dbraw/zinc/80/37/32/556803732.db2.gz GIRBFBCRJYVENS-WGOQTCKBSA-N 0 0 427.379 5.557 40 30 IKEBRN Cc1ccc([C@]2(C(F)(F)F)NC(=O)N(c3ccccc3)C(=Nc3ccccc3)S2)cc1 ZINC000003203563 556804379 /nfs/dbraw/zinc/80/43/79/556804379.db2.gz XZHGCWUCZQEFOW-RHGSLLQMSA-N 0 0 441.478 6.565 40 30 IKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409114530 556805201 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C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409117748 556809993 /nfs/dbraw/zinc/80/99/93/556809993.db2.gz OWOUCYGZCSXLTH-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409121724 556815390 /nfs/dbraw/zinc/81/53/90/556815390.db2.gz VWDIVNWVNXSOBL-UHFFFAOYSA-N 0 0 432.520 6.222 40 30 IKEBRN CC[C@@]1(C)C[C@@](CC/N=C/c2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 ZINC000004951104 556825578 /nfs/dbraw/zinc/82/55/78/556825578.db2.gz HXQQXLYXXSIJSC-RPJMPTQPSA-N 0 0 425.569 5.439 40 30 IKEBRN C=C(C)CS[C@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000004907127 556825757 /nfs/dbraw/zinc/82/57/57/556825757.db2.gz RLVDOZLLKXBQFM-MWTRTKDXSA-N 0 0 426.651 6.564 40 30 IKEBRN CC(N=Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000006014599 556828964 /nfs/dbraw/zinc/82/89/64/556828964.db2.gz ZSXWMYUORRBFDB-QRQIAZFYSA-N 0 0 443.348 6.409 40 30 IKEBRN C#CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3C)c3ccccc23)C1=O ZINC000409125759 556830008 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FDWOZVGTIXJFIL-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(CC(=O)N3CCCCCC3)c21 ZINC000409129597 556840238 /nfs/dbraw/zinc/84/02/38/556840238.db2.gz URZMSRGDMFLRSF-UHFFFAOYSA-N 0 0 440.543 5.069 40 30 IKEBRN COc1cc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)cc(OC)c1OC ZINC000006906139 556840635 /nfs/dbraw/zinc/84/06/35/556840635.db2.gz PZEYYAYKLUWBBS-VULFUBBASA-N 0 0 448.910 5.422 40 30 IKEBRN C/C(=N\Nc1nc(-c2cc(C)ccc2C)cs1)c1cc2c(ccc3ccccc32)oc1=O ZINC000008690239 556842636 /nfs/dbraw/zinc/84/26/36/556842636.db2.gz PMHRVSSRXJGKHI-OGLMXYFKSA-N 0 0 439.540 6.523 40 30 IKEBRN O=C(Nc1cccnc1)C(N=Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1 ZINC000008685332 556844817 /nfs/dbraw/zinc/84/48/17/556844817.db2.gz MAQGGHLEDDUYAG-RDRPBHBLSA-N 0 0 446.816 5.043 40 30 IKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 ZINC000408771259 556846694 /nfs/dbraw/zinc/84/66/94/556846694.db2.gz GHCYASGQQLUFMX-OEAKJJBVSA-N 0 0 428.317 6.012 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl ZINC000408768663 556846957 /nfs/dbraw/zinc/84/69/57/556846957.db2.gz ZVZXATYCGKCRKD-SARUNTBLSA-N 0 0 435.376 5.720 40 30 IKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)S2)c1 ZINC000408771826 556847581 /nfs/dbraw/zinc/84/75/81/556847581.db2.gz IINDJTJEVBGVND-NDENLUEZSA-N 0 0 446.488 5.291 40 30 IKEBRN N#Cc1ccccc1COc1ccccc1/C=C1/SC(=O)N(CC2CCCCC2)C1=O ZINC000409134158 556847956 /nfs/dbraw/zinc/84/79/56/556847956.db2.gz NKTQSYGWKTWNJA-OEAKJJBVSA-N 0 0 432.545 5.754 40 30 IKEBRN COc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C ZINC000408774399 556848192 /nfs/dbraw/zinc/84/81/92/556848192.db2.gz ZZGRMANEBPSBBY-LPYMAVHISA-N 0 0 430.289 5.458 40 30 IKEBRN C=CCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C1=O ZINC000409135372 556848588 /nfs/dbraw/zinc/84/85/88/556848588.db2.gz UQJVQPCFNZTRFP-WOJGMQOQSA-N 0 0 447.318 5.050 40 30 IKEBRN C#CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br ZINC000409136162 556849098 /nfs/dbraw/zinc/84/90/98/556849098.db2.gz TWWLZPLHZHMZFK-LDADJPATSA-N 0 0 434.355 5.078 40 30 IKEBRN C=CCOc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br ZINC000409136948 556849991 /nfs/dbraw/zinc/84/99/91/556849991.db2.gz VQIWIHKYUPKIMP-LDADJPATSA-N 0 0 436.371 5.631 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408779023 556854028 /nfs/dbraw/zinc/85/40/28/556854028.db2.gz OZPIKPITTOVCBQ-UUYOSTAYSA-N 0 0 446.532 5.511 40 30 IKEBRN Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408779009 556854093 /nfs/dbraw/zinc/85/40/93/556854093.db2.gz OUSOQKLZBLAULI-JVWAILMASA-N 0 0 445.519 7.043 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408781065 556854502 /nfs/dbraw/zinc/85/45/02/556854502.db2.gz QYRDFQVNMVTVFH-JLPGSUDCSA-N 0 0 443.616 6.592 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408781942 556854827 /nfs/dbraw/zinc/85/48/27/556854827.db2.gz DLCJMWUDOAUPLW-JAIQZWGSSA-N 0 0 436.468 5.033 40 30 IKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c(OC)c1 ZINC000408784513 556855556 /nfs/dbraw/zinc/85/55/56/556855556.db2.gz TXTWOQALGVIGAH-YUMHPJSZSA-N 0 0 434.561 5.325 40 30 IKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4cccc(C)c4)NC3=O)c2c1 ZINC000408789492 556855915 /nfs/dbraw/zinc/85/59/15/556855915.db2.gz LNCJGNVSCRCSQI-HAHDFKILSA-N 0 0 432.545 5.837 40 30 IKEBRN Cc1cc(/C=N\c2ccc3c(c2)OCO3)c(C)n1-c1ccc(I)cc1 ZINC000408786123 556856301 /nfs/dbraw/zinc/85/63/01/556856301.db2.gz MOHFYRFKIQKJDF-JJFYIABZSA-N 0 0 444.272 5.178 40 30 IKEBRN CCOc1c(Cl)cc([C@@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1Cl ZINC000408797384 556857461 /nfs/dbraw/zinc/85/74/61/556857461.db2.gz RMUUYPUEANYXMS-SFHVURJKSA-N 0 0 444.314 5.134 40 30 IKEBRN O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)Nc1ccccc1Cl ZINC000408799082 556857829 /nfs/dbraw/zinc/85/78/29/556857829.db2.gz JSIQFLBBYCQYIN-WKIKZPBSSA-N 0 0 432.829 6.127 40 30 IKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2OCC#N)SC1Nc1ccccc1 ZINC000408805500 556860841 /nfs/dbraw/zinc/86/08/41/556860841.db2.gz KTPHKVGPVFQCBO-WXIYXWPHSA-N 0 0 432.569 5.643 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408806235 556861014 /nfs/dbraw/zinc/86/10/14/556861014.db2.gz BHQSXLIQQPSXEZ-UNOMPAQXSA-N 0 0 429.925 5.322 40 30 IKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(Br)c3)cc2)cc1 ZINC000408808597 556861541 /nfs/dbraw/zinc/86/15/41/556861541.db2.gz MRGGYWZMCYYULX-OYKKKHCWSA-N 0 0 439.309 5.226 40 30 IKEBRN C=CCn1c(C)c(/C=C2\SC(Nc3cc(Cl)ccc3OC)NC2=O)c2ccccc21 ZINC000408808831 556861580 /nfs/dbraw/zinc/86/15/80/556861580.db2.gz GUIIQZNOQQBFQF-UHFFFAOYSA-N 0 0 438.960 5.561 40 30 IKEBRN O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)Nc1cccc(Cl)c1 ZINC000408810471 556862182 /nfs/dbraw/zinc/86/21/82/556862182.db2.gz JXGPMGICXXPRSK-WKIKZPBSSA-N 0 0 432.829 6.127 40 30 IKEBRN Cc1sc(/N=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c(C#N)c1C ZINC000408810799 556862451 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437.702 6.506 40 30 IKEBRN O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000408820841 556866253 /nfs/dbraw/zinc/86/62/53/556866253.db2.gz ZLKMSFINXZCURY-SIDNSYPESA-N 0 0 427.573 6.414 40 30 IKEBRN COc1cccc2c(/C=C3/SC(=Nc4ccccc4C)NC3=O)c(-c3ccccc3)[nH]c21 ZINC000408831580 556866664 /nfs/dbraw/zinc/86/66/64/556866664.db2.gz OGXPYTNVXPCKAP-PXLXIMEGSA-N 0 0 439.540 6.044 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCCC3)o2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000408843941 556868300 /nfs/dbraw/zinc/86/83/00/556868300.db2.gz BGJAFRNNYGUZSJ-BESZJCKESA-N 0 0 429.545 6.079 40 30 IKEBRN C/N=C1/S/C(=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C(=O)N1C ZINC000408844575 556868386 /nfs/dbraw/zinc/86/83/86/556868386.db2.gz DSASCEDQKRAELT-LCOAIJAZSA-N 0 0 449.579 6.343 40 30 IKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OC)c(Cl)c1 ZINC000408846023 556868956 /nfs/dbraw/zinc/86/89/56/556868956.db2.gz XFIHSLZQUFLPLZ-GOSISDBHSA-N 0 0 444.314 5.134 40 30 IKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408848153 556869460 /nfs/dbraw/zinc/86/94/60/556869460.db2.gz PRLMHHPBXKHZPU-UHFFFAOYSA-N 0 0 437.322 6.652 40 30 IKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)S1 ZINC000408849395 556870423 /nfs/dbraw/zinc/87/04/23/556870423.db2.gz WLSPKAIUTWLCOR-UNOMPAQXSA-N 0 0 428.344 5.984 40 30 IKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)ccc1O ZINC000408851105 556870873 /nfs/dbraw/zinc/87/08/73/556870873.db2.gz IHQLRXOYZKWIFC-MZURAFEFSA-N 0 0 426.513 5.477 40 30 IKEBRN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408858932 556870880 /nfs/dbraw/zinc/87/08/80/556870880.db2.gz ROJIXYJAUZQVRL-BNUIPMERSA-N 0 0 438.524 5.549 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCCC3)o2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408857000 556871208 /nfs/dbraw/zinc/87/12/08/556871208.db2.gz MMFYTTVLFROKTD-MELLALHUSA-N 0 0 443.572 6.074 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000408854744 556871688 /nfs/dbraw/zinc/87/16/88/556871688.db2.gz APRXDNBKKOSTAH-PKAZHMFMSA-N 0 0 445.588 5.431 40 30 IKEBRN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408859363 556872189 /nfs/dbraw/zinc/87/21/89/556872189.db2.gz STYRAWDOTIZYCS-CCWCNRGJSA-N 0 0 434.561 5.656 40 30 IKEBRN N#CCOc1ccccc1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O ZINC000408861518 556872438 /nfs/dbraw/zinc/87/24/38/556872438.db2.gz SFEUGXGPHXMMMS-NDBUTJIBSA-N 0 0 435.524 5.665 40 30 IKEBRN O=C1/C(=C/c2c(F)cccc2Cl)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408861922 556872494 /nfs/dbraw/zinc/87/24/94/556872494.db2.gz BTKQMLMLCZVQNG-KZPCVOCJSA-N 0 0 432.923 6.555 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O ZINC000408861246 556872496 /nfs/dbraw/zinc/87/24/96/556872496.db2.gz ASSYLCAUHMZIDY-HMAPJEAMSA-N 0 0 432.932 5.705 40 30 IKEBRN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c1 ZINC000408862887 556872658 /nfs/dbraw/zinc/87/26/58/556872658.db2.gz NJJMGQFLLGTVKP-SHSCQTOKSA-N 0 0 440.540 5.780 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(Cl)ccc2C)NC1=O ZINC000408862518 556872679 /nfs/dbraw/zinc/87/26/79/556872679.db2.gz ZPQNZJNZYFDWOI-HMAPJEAMSA-N 0 0 436.964 6.482 40 30 IKEBRN CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408863755 556873087 /nfs/dbraw/zinc/87/30/87/556873087.db2.gz PTEAAEXKSGLLBC-LSDFYIEESA-N 0 0 438.568 6.551 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1ccccc1 ZINC000408863791 556873106 /nfs/dbraw/zinc/87/31/06/556873106.db2.gz UJMQKLILDHWRFW-KULRBVGASA-N 0 0 428.960 6.662 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1ccccc1 ZINC000408868275 556873948 /nfs/dbraw/zinc/87/39/48/556873948.db2.gz PHAFJUVQPCCDSF-HMAPJEAMSA-N 0 0 434.492 5.305 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(Cl)ccc3Cl)c2C)C(C(=O)OC)=C1C ZINC000408873298 556875539 /nfs/dbraw/zinc/87/55/39/556875539.db2.gz SJWJCVRYNUDGPD-WQRHYEAKSA-N 0 0 445.346 5.260 40 30 IKEBRN CC(C)(C)c1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc(C(C)(C)C)c1O ZINC000408879225 556876148 /nfs/dbraw/zinc/87/61/48/556876148.db2.gz CHRXEYQJJYRTBY-UYRXBGFRSA-N 0 0 426.557 6.018 40 30 IKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000408875742 556876341 /nfs/dbraw/zinc/87/63/41/556876341.db2.gz KMPHXDJFSPUPDC-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN O=C(NC1CCCCC1)c1c(/N=C/c2ccccc2OC(F)F)sc2c1CCCC2 ZINC000409156023 556879268 /nfs/dbraw/zinc/87/92/68/556879268.db2.gz SPYHAGGJUOXXHP-VULFUBBASA-N 0 0 432.536 6.041 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1c[nH]c2ccc(OCc3ccccc3)cc12 ZINC000408887380 556879387 /nfs/dbraw/zinc/87/93/87/556879387.db2.gz QIASXKMVUPALSG-QRVIBDJDSA-N 0 0 425.513 5.639 40 30 IKEBRN O=C(NCc1ccccc1)c1c2c(sc1/N=C/c1ccccc1OC(F)F)CCCC2 ZINC000409156469 556879880 /nfs/dbraw/zinc/87/98/80/556879880.db2.gz SJUYRAZMXAQDTC-RWPZCVJISA-N 0 0 440.515 5.909 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000408893055 556881840 /nfs/dbraw/zinc/88/18/40/556881840.db2.gz DXACTARJWHMKDG-ZMOGYAJESA-N 0 0 449.359 5.193 40 30 IKEBRN C=CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000408897715 556883268 /nfs/dbraw/zinc/88/32/68/556883268.db2.gz NWNSAFGJXCWBRQ-UHFFFAOYSA-N 0 0 439.983 5.878 40 30 IKEBRN CCOc1ccc(/C=N\c2ccccc2Br)cc1I ZINC000408904332 556883693 /nfs/dbraw/zinc/88/36/93/556883693.db2.gz HZHXNEQVMIPICH-ZDLGFXPLSA-N 0 0 430.083 5.203 40 30 IKEBRN CCOc1ccc(/C=N\c2ccc(Br)cc2C)cc1I ZINC000408905039 556883859 /nfs/dbraw/zinc/88/38/59/556883859.db2.gz SGTRBBUCTFQSSV-GRSHGNNSSA-N 0 0 444.110 5.511 40 30 IKEBRN CCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)S/C1=N\c1cc(C)ccc1C ZINC000408905671 556884164 /nfs/dbraw/zinc/88/41/64/556884164.db2.gz CEFRTIIQTNGZTF-GIEPNVOJSA-N 0 0 436.580 7.234 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc(Br)c1O ZINC000408906132 556884405 /nfs/dbraw/zinc/88/44/05/556884405.db2.gz HMOWOYQVTIHORU-SLHJDRLVSA-N 0 0 447.354 5.096 40 30 IKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC)C2=O)c2ccccc12 ZINC000408906109 556884471 /nfs/dbraw/zinc/88/44/71/556884471.db2.gz AOKYDTJHJFHNJN-AJGXWLHTSA-N 0 0 444.600 6.951 40 30 IKEBRN O=C1/C(=C\c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408906908 556884664 /nfs/dbraw/zinc/88/46/64/556884664.db2.gz FAUJPBIZPKYQAM-GHZVKXTHSA-N 0 0 439.367 6.798 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408906688 556884713 /nfs/dbraw/zinc/88/47/13/556884713.db2.gz JQHNDXLIUVAGTP-CURVLSCQSA-N 0 0 442.584 6.322 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(C)(C)C)cc2)C(=O)N1C1CCCCC1 ZINC000408912664 556886607 /nfs/dbraw/zinc/88/66/07/556886607.db2.gz OJTLFACNJCTPBP-KIYRTQPJSA-N 0 0 446.660 7.483 40 30 IKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2CC)N(C2CCCCC2)C1=O ZINC000408912646 556886642 /nfs/dbraw/zinc/88/66/42/556886642.db2.gz OIKHKHUMFZWDRB-KWPJTZOTSA-N 0 0 434.605 6.584 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc(Br)c3)C(=O)N2CC(C)C)cc1 ZINC000408913251 556886797 /nfs/dbraw/zinc/88/67/97/556886797.db2.gz PQIROTCUCRBYHA-CRUFNBOHSA-N 0 0 429.383 6.018 40 30 IKEBRN C=CCc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc(OCC)c1O ZINC000408908362 556886890 /nfs/dbraw/zinc/88/68/90/556886890.db2.gz RPVMPNMICCDDQN-KZSGMEKTSA-N 0 0 436.577 5.760 40 30 IKEBRN C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408908901 556887049 /nfs/dbraw/zinc/88/70/49/556887049.db2.gz DXYZTVPHPWDBFJ-UHFFFAOYSA-N 0 0 438.523 6.164 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000408908707 556887074 /nfs/dbraw/zinc/88/70/74/556887074.db2.gz BBFBDURHSKUAII-UINIZAEWSA-N 0 0 434.605 6.719 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 ZINC000408909556 556887323 /nfs/dbraw/zinc/88/73/23/556887323.db2.gz VCLAHOCNOOMOLX-YCJCGMCGSA-N 0 0 428.557 6.116 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc(Cl)c1O ZINC000408910086 556887572 /nfs/dbraw/zinc/88/75/72/556887572.db2.gz WCVWOVPCYKITIM-PUCVJYRNSA-N 0 0 430.957 5.685 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCC(C)C)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408910902 556887975 /nfs/dbraw/zinc/88/79/75/556887975.db2.gz MEPBQTOLKQUIGB-PIINERKHSA-N 0 0 444.600 6.807 40 30 IKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408911335 556888136 /nfs/dbraw/zinc/88/81/36/556888136.db2.gz MZNPKBGBEONIGR-ZTIGIGMQSA-N 0 0 440.612 7.349 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cc(Br)ccc3O)C(=O)N2CC(C)C)cc1 ZINC000408911558 556888141 /nfs/dbraw/zinc/88/81/41/556888141.db2.gz KCCGPQYBHRHEPL-ZHUAHHRVSA-N 0 0 445.382 5.723 40 30 IKEBRN C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)c2ccccc21 ZINC000408911952 556888450 /nfs/dbraw/zinc/88/84/50/556888450.db2.gz LDTWGMGZSBEVQR-CKWMIRMWSA-N 0 0 429.589 6.538 40 30 IKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408911769 556888505 /nfs/dbraw/zinc/88/85/05/556888505.db2.gz KOJNELNERQNFOB-YBHKXRAPSA-N 0 0 440.565 5.423 40 30 IKEBRN COc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccco2)C1=O ZINC000408917134 556888642 /nfs/dbraw/zinc/88/86/42/556888642.db2.gz NITJPQHUFUFXEK-YCJCGMCGSA-N 0 0 440.524 6.246 40 30 IKEBRN CC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408913384 556889088 /nfs/dbraw/zinc/88/90/88/556889088.db2.gz TYKDGOTYCIATBA-WEOUEGTISA-N 0 0 426.585 6.657 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408913293 556889150 /nfs/dbraw/zinc/88/91/50/556889150.db2.gz PVPPLGUIILCGCZ-LBMUFILHSA-N 0 0 447.516 6.177 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC(C)C)C1=O ZINC000408913722 556889343 /nfs/dbraw/zinc/88/93/43/556889343.db2.gz RJKFLMLABDAZIO-RRJMXWIWSA-N 0 0 428.985 6.307 40 30 IKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408913829 556889446 /nfs/dbraw/zinc/88/94/46/556889446.db2.gz RPXSKONGAJPFQL-UESVEAJBSA-N 0 0 429.929 5.959 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2cc(C)ccc2C)N(CC)C1=O ZINC000408914181 556889563 /nfs/dbraw/zinc/88/95/63/556889563.db2.gz WAABBIFQCSNRCA-FUQOYWQNSA-N 0 0 444.600 6.869 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408914054 556889574 /nfs/dbraw/zinc/88/95/74/556889574.db2.gz SFUNLKJXQYNKOS-GCXIQGEKSA-N 0 0 436.964 6.922 40 30 IKEBRN C=CCOc1c(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cccc1OC ZINC000408914421 556889641 /nfs/dbraw/zinc/88/96/41/556889641.db2.gz NXDJOEDLXRKHBL-PKAZHMFMSA-N 0 0 446.572 6.203 40 30 IKEBRN C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)c2ccccc21 ZINC000408914214 556889659 /nfs/dbraw/zinc/88/96/59/556889659.db2.gz TYIYWZASEASPQV-BOSNEQTGSA-N 0 0 429.589 6.396 40 30 IKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)cc1 ZINC000408914464 556889690 /nfs/dbraw/zinc/88/96/90/556889690.db2.gz UWONQYSQUAJQSM-WEOUEGTISA-N 0 0 446.616 6.751 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408914631 556889719 /nfs/dbraw/zinc/88/97/19/556889719.db2.gz VHTTXSBDUUVTEI-QNQNADBQSA-N 0 0 425.510 5.316 40 30 IKEBRN COc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(CC(C)C)C1=O ZINC000408914509 556889819 /nfs/dbraw/zinc/88/98/19/556889819.db2.gz VCULTFTXUCHKHE-BOSNEQTGSA-N 0 0 430.573 6.417 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1C ZINC000408915055 556890004 /nfs/dbraw/zinc/89/00/04/556890004.db2.gz WUNYYJZQIZRDTK-SMSCYPBYSA-N 0 0 446.326 5.154 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1C ZINC000408915318 556890082 /nfs/dbraw/zinc/89/00/82/556890082.db2.gz ZMLOEHABRHWLOD-YJMTZZNISA-N 0 0 428.557 6.369 40 30 IKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)cc1OC ZINC000408915020 556890094 /nfs/dbraw/zinc/89/00/94/556890094.db2.gz WORHEVBXSLSEOA-OBUXZSPNSA-N 0 0 438.593 6.197 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408915236 556890111 /nfs/dbraw/zinc/89/01/11/556890111.db2.gz XJQVLJCUBKIGCW-YWQSIKCOSA-N 0 0 434.536 6.798 40 30 IKEBRN CCOC(=O)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 ZINC000408915552 556890317 /nfs/dbraw/zinc/89/03/17/556890317.db2.gz XPUNWIRNRXVMLF-YDZHTSKRSA-N 0 0 444.350 6.429 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408915398 556890347 /nfs/dbraw/zinc/89/03/47/556890347.db2.gz XZEOVENXYRUOFC-AJGXWLHTSA-N 0 0 442.584 6.901 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408915413 556890366 /nfs/dbraw/zinc/89/03/66/556890366.db2.gz YCUBHKCUDOHOMB-WEOUEGTISA-N 0 0 442.584 6.240 40 30 IKEBRN CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC ZINC000408920951 556891026 /nfs/dbraw/zinc/89/10/26/556891026.db2.gz MCCSIIQZHBIRSA-UHFFFAOYSA-N 0 0 429.944 5.181 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2ccccc2Br)S/C1=N/c1ccccc1 ZINC000408928826 556893378 /nfs/dbraw/zinc/89/33/78/556893378.db2.gz LAMVFKMBLJFZQV-VWTGEQJNSA-N 0 0 431.355 5.090 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(OC)c(O)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408928734 556893430 /nfs/dbraw/zinc/89/34/30/556893430.db2.gz GJYPOXVMMSXECR-YFGQCYJXSA-N 0 0 437.565 5.015 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)S/C1=N/c1ccccc1 ZINC000408928799 556893444 /nfs/dbraw/zinc/89/34/44/556893444.db2.gz JZSHCGKJXNQNNL-YUBLGUFESA-N 0 0 446.576 5.130 40 30 IKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3cccc(F)c3)c(OCC)c2)C(=O)N1CC ZINC000408929185 556893619 /nfs/dbraw/zinc/89/36/19/556893619.db2.gz IDAQYSOMXFBUPE-LRXZINBSSA-N 0 0 428.529 5.116 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(SC)cc2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408928932 556893663 /nfs/dbraw/zinc/89/36/63/556893663.db2.gz LNASMRHFIXOHAS-WFXBMRRRSA-N 0 0 437.634 6.023 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)S/C1=N/c1ccccc1 ZINC000408929301 556893907 /nfs/dbraw/zinc/89/39/07/556893907.db2.gz VNDXACGFXABAGW-KCBWDOQGSA-N 0 0 440.565 5.123 40 30 IKEBRN C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(Br)c(Cl)c3)c2C)C(=O)N1C ZINC000408930579 556894329 /nfs/dbraw/zinc/89/43/29/556894329.db2.gz YZRKIAYNJFYAOJ-KGJCRGFQSA-N 0 0 438.778 5.042 40 30 IKEBRN Cc1cc(/C=N\c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408931002 556894570 /nfs/dbraw/zinc/89/45/70/556894570.db2.gz FXRVBSZOBOTUPX-OFWBYEQRSA-N 0 0 435.571 6.348 40 30 IKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(/N=C/c3c(O)ccc4ccccc34)cc1)N2 ZINC000408936447 556895611 /nfs/dbraw/zinc/89/56/11/556895611.db2.gz GLSSUTWJJAVVCN-AUWRRVOLSA-N 0 0 430.551 7.431 40 30 IKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3c(O)ccc4ccccc34)cc1)N2 ZINC000408936448 556895764 /nfs/dbraw/zinc/89/57/64/556895764.db2.gz GLSSUTWJJAVVCN-GAKUDXKKSA-N 0 0 430.551 7.431 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1F ZINC000408932380 556896199 /nfs/dbraw/zinc/89/61/99/556896199.db2.gz WLMJBTSOXCIUSN-MTDXEUNCSA-N 0 0 434.511 5.391 40 30 IKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1O ZINC000408940644 556896608 /nfs/dbraw/zinc/89/66/08/556896608.db2.gz OIIFMJABSPBYFX-QFCIWXFXSA-N 0 0 444.962 7.021 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408938616 556897096 /nfs/dbraw/zinc/89/70/96/556897096.db2.gz LEVWEVSHASTCOE-UUOHNITCSA-N 0 0 442.990 7.624 40 30 IKEBRN COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408938086 556897180 /nfs/dbraw/zinc/89/71/80/556897180.db2.gz KJHHZLQJRPBKFL-SNKMTMARSA-N 0 0 444.578 7.734 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cc3ccccc3n2Cc2ccccc2F)c([N+](=O)[O-])c1 ZINC000408938278 556897185 /nfs/dbraw/zinc/89/71/85/556897185.db2.gz PUNOBLVALWLXCI-CFRMEGHHSA-N 0 0 433.399 5.091 40 30 IKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408945120 556897360 /nfs/dbraw/zinc/89/73/60/556897360.db2.gz VXQCNZLOLGWAFJ-GYSZUQFISA-N 0 0 428.963 7.234 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)ccc2OCc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000408945589 556897408 /nfs/dbraw/zinc/89/74/08/556897408.db2.gz WWSNGHNBPIOBRY-KSEXSDGBSA-N 0 0 444.806 5.321 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408946046 556897584 /nfs/dbraw/zinc/89/75/84/556897584.db2.gz XZFFVZAVOACMJF-PCBVGHRDSA-N 0 0 442.990 7.624 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)S2)cc1 ZINC000408951318 556898021 /nfs/dbraw/zinc/89/80/21/556898021.db2.gz IRHLKKUNJVMUHA-BUVRLJJBSA-N 0 0 445.588 6.001 40 30 IKEBRN CCCCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccccc1 ZINC000408952708 556898729 /nfs/dbraw/zinc/89/87/29/556898729.db2.gz MHDWZWSUTIIYHU-YJMOJNCUSA-N 0 0 431.561 5.890 40 30 IKEBRN CN1C(=O)/C(=C/c2cc(Br)c(Br)o2)SC1=Nc1ccccc1 ZINC000408955096 556898988 /nfs/dbraw/zinc/89/89/88/556898988.db2.gz WCMJGJUXKPOQTF-GPHIBNKYSA-N 0 0 442.132 5.038 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(O)cc4)c3C)S2)cc1 ZINC000408956007 556899076 /nfs/dbraw/zinc/89/90/76/556899076.db2.gz ZMPLKMQAAVBRFD-HYARGMPZSA-N 0 0 433.533 5.090 40 30 IKEBRN Cc1cc(C)c(N=C2S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2C)c(C)c1 ZINC000408959573 556899542 /nfs/dbraw/zinc/89/95/42/556899542.db2.gz BFCLETKQVPGZST-MLSYBWHESA-N 0 0 444.604 5.702 40 30 IKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc3ncccc3c2)N(C)C1=O ZINC000408959857 556899786 /nfs/dbraw/zinc/89/97/86/556899786.db2.gz HBZLMIHAUYKVFK-WNOHRPASSA-N 0 0 428.561 5.377 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408960144 556899911 /nfs/dbraw/zinc/89/99/11/556899911.db2.gz CJHYTTMHYQYONR-SRZZPIQSSA-N 0 0 439.943 6.087 40 30 IKEBRN Cc1ccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1C ZINC000408960932 556900412 /nfs/dbraw/zinc/90/04/12/556900412.db2.gz JPGAWUOIEQFDTN-XDHOZWIPSA-N 0 0 442.371 6.293 40 30 IKEBRN CCOc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(OCC)c1 ZINC000408961101 556900667 /nfs/dbraw/zinc/90/06/67/556900667.db2.gz ACTYXEASGKQWDL-LICLKQGHSA-N 0 0 437.348 5.682 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c1C ZINC000408961950 556901101 /nfs/dbraw/zinc/90/11/01/556901101.db2.gz VYAPXVCAVPQDKE-MLSYBWHESA-N 0 0 429.589 6.199 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1 ZINC000408962111 556901409 /nfs/dbraw/zinc/90/14/09/556901409.db2.gz PZFDRUBEVYWVQP-HZHRSRAPSA-N 0 0 446.576 5.060 40 30 IKEBRN Cc1cccc(C)c1N=C1S/C(=C\c2cccn2-c2ccc(N(C)C)cc2)C(=O)N1C ZINC000408962483 556901448 /nfs/dbraw/zinc/90/14/48/556901448.db2.gz YNVIPADKVAWUSV-JUQJSGDGSA-N 0 0 430.577 5.394 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Br ZINC000408962514 556901570 /nfs/dbraw/zinc/90/15/70/556901570.db2.gz SQGIXRQQIKMGIM-MBNTZHJCSA-N 0 0 449.345 5.657 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c1C ZINC000408962693 556901572 /nfs/dbraw/zinc/90/15/72/556901572.db2.gz ZZXYBFFWLIJPPJ-IWIPYMOSSA-N 0 0 443.616 6.473 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)S2)cc1 ZINC000408963168 556901758 /nfs/dbraw/zinc/90/17/58/556901758.db2.gz ALVWZDUHBOBBDP-HYARGMPZSA-N 0 0 434.492 5.305 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c1C ZINC000408963851 556902007 /nfs/dbraw/zinc/90/20/07/556902007.db2.gz BAFXBDORTSEOLX-IWIPYMOSSA-N 0 0 429.589 6.165 40 30 IKEBRN CC(C)n1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 ZINC000408965729 556902483 /nfs/dbraw/zinc/90/24/83/556902483.db2.gz LRYXZWLIUWKARS-VCHYOVAHSA-N 0 0 430.360 6.421 40 30 IKEBRN CCOc1cc(Br)c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408965671 556902577 /nfs/dbraw/zinc/90/25/77/556902577.db2.gz LIFYXEIJMZEFEO-VCHYOVAHSA-N 0 0 447.354 5.056 40 30 IKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2cc(Cl)ccc2O)sc2c1CCCCCC2 ZINC000408972154 556903010 /nfs/dbraw/zinc/90/30/10/556903010.db2.gz SYQYWXICAVABEW-CVKSISIWSA-N 0 0 438.980 6.769 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c1C ZINC000408967251 556903174 /nfs/dbraw/zinc/90/31/74/556903174.db2.gz POESZGQRUJEYPA-IWIPYMOSSA-N 0 0 429.589 6.165 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)N(C)C2=O)c1C ZINC000408967576 556903237 /nfs/dbraw/zinc/90/32/37/556903237.db2.gz RAYPAHJUFCSXPR-IXQMQDOZSA-N 0 0 443.616 6.507 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408967743 556903538 /nfs/dbraw/zinc/90/35/38/556903538.db2.gz UJETTWWSWFNRMU-IWIPYMOSSA-N 0 0 438.556 5.842 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408968547 556903967 /nfs/dbraw/zinc/90/39/67/556903967.db2.gz XAIAXNIRKJZYEK-AIMMPNMZSA-N 0 0 443.616 6.625 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(I)cc2C)c1C ZINC000408968785 556904019 /nfs/dbraw/zinc/90/40/19/556904019.db2.gz ZCFRFFPNEMIJBQ-OYKKKHCWSA-N 0 0 442.344 6.320 40 30 IKEBRN CCCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000408970651 556904417 /nfs/dbraw/zinc/90/44/17/556904417.db2.gz JQVLFRLAYMCQJA-TURZUDJPSA-N 0 0 446.616 7.199 40 30 IKEBRN Brc1ccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)cc1 ZINC000408974218 556905132 /nfs/dbraw/zinc/90/51/32/556905132.db2.gz DJKMISIQQDDPEQ-FOKLQQMPSA-N 0 0 434.249 6.256 40 30 IKEBRN CCCCCCCCNC(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000408975371 556905670 /nfs/dbraw/zinc/90/56/70/556905670.db2.gz AUNDLHJRZCCYIL-UHFFFAOYSA-N 0 0 439.563 5.844 40 30 IKEBRN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2cc(C)n(-c3ccc(Cl)cc3)c2C)C1=O ZINC000408987010 556909798 /nfs/dbraw/zinc/90/97/98/556909798.db2.gz UKDPXRFVYMHUNQ-HZHRSRAPSA-N 0 0 446.934 5.625 40 30 IKEBRN COc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(OC)c1O ZINC000408987634 556910277 /nfs/dbraw/zinc/91/02/77/556910277.db2.gz QSARCTIBXDJVIL-AFUMVMLFSA-N 0 0 442.581 5.163 40 30 IKEBRN O=C(Oc1cccc(CN=Nc2nc(-c3ccccc3)cs2)c1)c1cccc(Cl)c1 ZINC000408991144 556911320 /nfs/dbraw/zinc/91/13/20/556911320.db2.gz ZGJONPQTCPFXSM-AFUMVMLFSA-N 0 0 433.920 6.129 40 30 IKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccccc1Br ZINC000408996041 556912228 /nfs/dbraw/zinc/91/22/28/556912228.db2.gz GSPLWWLUBOVWIZ-UUYOSTAYSA-N 0 0 425.355 5.912 40 30 IKEBRN Cc1cccc(Cn2cc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c3ccccc32)c1 ZINC000408994764 556913304 /nfs/dbraw/zinc/91/33/04/556913304.db2.gz IQJKPQYIMHMWOE-ZMOGYAJESA-N 0 0 429.436 5.260 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)S2)cc1 ZINC000408999416 556913568 /nfs/dbraw/zinc/91/35/68/556913568.db2.gz KVRTXHUYXOLVIA-HYARGMPZSA-N 0 0 431.561 5.611 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)S2)cc1 ZINC000409001721 556914609 /nfs/dbraw/zinc/91/46/09/556914609.db2.gz QWMGBVSCEUKHNK-MYYYXRDXSA-N 0 0 437.568 6.198 40 30 IKEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OCC ZINC000409011753 556918423 /nfs/dbraw/zinc/91/84/23/556918423.db2.gz IJQYVEWUPPPKEW-JASJWYONSA-N 0 0 440.359 5.247 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(N(C)C)cc3)N(C)C2=O)cc1Cl ZINC000409012671 556918688 /nfs/dbraw/zinc/91/86/88/556918688.db2.gz RFAGBHGZJMZEDD-GIZWUGLGSA-N 0 0 444.000 5.817 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)cc1Cl ZINC000409012839 556918933 /nfs/dbraw/zinc/91/89/33/556918933.db2.gz LKBIIFSSWFSHFM-BCULVLPOSA-N 0 0 444.984 6.150 40 30 IKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C2C(=O)OC)cc1 ZINC000409014292 556920243 /nfs/dbraw/zinc/92/02/43/556920243.db2.gz IKFUKBUIDRMFRZ-MOSHPQCFSA-N 0 0 443.421 5.147 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1Cl ZINC000409014836 556920555 /nfs/dbraw/zinc/92/05/55/556920555.db2.gz QHJOSGYRMLNGQX-XTBHVRTMSA-N 0 0 435.376 6.371 40 30 IKEBRN Fc1ccc(COc2ccc(Cl)cc2/C=N/NC(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000409031506 556927158 /nfs/dbraw/zinc/92/71/58/556927158.db2.gz AUYBUMJJQTXGTP-FLUNURKVSA-N 0 0 446.725 5.772 40 30 IKEBRN CCOc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccccc1 ZINC000409033302 556927429 /nfs/dbraw/zinc/92/74/29/556927429.db2.gz KVWQMKOWYZXKPR-BCHBDCPOSA-N 0 0 438.343 5.378 40 30 IKEBRN N#Cc1ccc(Cn2cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)cc1 ZINC000409035159 556928546 /nfs/dbraw/zinc/92/85/46/556928546.db2.gz OTTSOTGEKLOZSX-VYVUJPJFSA-N 0 0 442.338 5.275 40 30 IKEBRN 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Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000409173369 556988193 /nfs/dbraw/zinc/98/81/93/556988193.db2.gz PPUUAVQHVWDKFE-FSJBWODESA-N 0 0 438.512 5.074 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccccc1Cl ZINC000409174451 556989027 /nfs/dbraw/zinc/98/90/27/556989027.db2.gz UEDMGAWQEPUVJA-WSDLNYQXSA-N 0 0 447.947 5.856 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccccc1F ZINC000409174651 556990059 /nfs/dbraw/zinc/99/00/59/556990059.db2.gz WMIJPQYVQKVLNW-WSDLNYQXSA-N 0 0 431.492 5.341 40 30 IKEBRN CCCCCCCCOC(=O)c1ccc(NC(=O)c2ccc(OCCCC)cc2)cc1 ZINC000409184253 556990656 /nfs/dbraw/zinc/99/06/56/556990656.db2.gz VPYKKJBJKXHQTC-UHFFFAOYSA-N 0 0 425.569 6.635 40 30 IKEBRN CCOC(=O)C(CC(=O)c1ccc(Cl)cc1)=Nc1ccc(Br)c(Cl)c1 ZINC000409190280 556991488 /nfs/dbraw/zinc/99/14/88/556991488.db2.gz RHYYEWKACVSIBJ-YBEGLDIGSA-N 0 0 443.124 5.498 40 30 IKEBRN C=CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1Br ZINC000409199167 556992218 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/nfs/dbraw/zinc/00/46/39/557004639.db2.gz JDOQSHBERRDZOL-MUFRIFMGSA-N 0 0 442.946 6.878 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000409210300 557004842 /nfs/dbraw/zinc/00/48/42/557004842.db2.gz JWODGUVEJXPFID-AFUMVMLFSA-N 0 0 428.757 6.995 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409210847 557005379 /nfs/dbraw/zinc/00/53/79/557005379.db2.gz LEMWRQTYSVMGCA-VULFUBBASA-N 0 0 430.331 6.730 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)c(C)c1 ZINC000409210927 557005428 /nfs/dbraw/zinc/00/54/28/557005428.db2.gz LRVWSZLVGAAQRB-LQKURTRISA-N 0 0 444.372 7.549 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 ZINC000409211178 557005644 /nfs/dbraw/zinc/00/56/44/557005644.db2.gz LARIVHLWCCALQM-CVKSISIWSA-N 0 0 438.365 6.794 40 30 IKEBRN Brc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)cc1 ZINC000409211309 557005827 /nfs/dbraw/zinc/00/58/27/557005827.db2.gz LLMJGBORFULUTH-YDZHTSKRSA-N 0 0 445.154 6.541 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409211206 557005835 /nfs/dbraw/zinc/00/58/35/557005835.db2.gz IHCZUPGXFFDIOA-UVHMKAGCSA-N 0 0 432.322 7.169 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409211420 557006170 /nfs/dbraw/zinc/00/61/70/557006170.db2.gz JCPDBIZGCVTIOJ-ZVHZXABRSA-N 0 0 439.309 6.249 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1F ZINC000409211860 557006645 /nfs/dbraw/zinc/00/66/45/557006645.db2.gz NIQQXINNFXISOT-AFUMVMLFSA-N 0 0 428.301 6.317 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(OCC)c1OCC ZINC000409211959 557006649 /nfs/dbraw/zinc/00/66/49/557006649.db2.gz KZXMBHWJXAOTJS-OQKWZONESA-N 0 0 437.561 5.492 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409212279 557006888 /nfs/dbraw/zinc/00/68/88/557006888.db2.gz PJYLDGIMHWSQAB-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000409212631 557007305 /nfs/dbraw/zinc/00/73/05/557007305.db2.gz RPVNRBAOFGYXBW-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(OC)cc4)NC3=O)c2C)cc1 ZINC000409187918 557007662 /nfs/dbraw/zinc/00/76/62/557007662.db2.gz VRBRPGAIXOPFQP-HAHDFKILSA-N 0 0 447.560 5.393 40 30 IKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000409212917 557007628 /nfs/dbraw/zinc/00/76/28/557007628.db2.gz RTSPYTFKBNRXTG-UFFVCSGVSA-N 0 0 445.582 6.713 40 30 IKEBRN C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccc(OCc2cccc3ccccc32)cc1 ZINC000409213269 557007850 /nfs/dbraw/zinc/00/78/50/557007850.db2.gz TXPLIOZUZQEWFE-NJZRLIGZSA-N 0 0 429.519 7.962 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000409213505 557008078 /nfs/dbraw/zinc/00/80/78/557008078.db2.gz PJGJJOALLLPKTE-VULFUBBASA-N 0 0 427.331 6.324 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3cccc(C)c3C)cc2Cl)cc1Cl ZINC000409213762 557008452 /nfs/dbraw/zinc/00/84/52/557008452.db2.gz TUBWYSREIAYCOT-UVHMKAGCSA-N 0 0 441.358 6.687 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409214405 557008954 /nfs/dbraw/zinc/00/89/54/557008954.db2.gz UWLMPVTXMVRQKN-BUVRLJJBSA-N 0 0 429.925 5.565 40 30 IKEBRN N#Cc1c(/N=C\c2ccc(-c3ccccc3C(F)(F)F)o2)sc2c1C1CCN2CC1 ZINC000409214498 557009171 /nfs/dbraw/zinc/00/91/71/557009171.db2.gz XVEOUCBTSOXFQM-PPDIBHTLSA-N 0 0 427.451 6.347 40 30 IKEBRN Brc1ccc(NN=Cc2cn(CCOc3ccccc3)c3ccccc23)cc1 ZINC000409214507 557009190 /nfs/dbraw/zinc/00/91/90/557009190.db2.gz XWGRWBIMIXJWNE-XYGWBWBKSA-N 0 0 434.337 5.929 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CCc2ccccc2)C1=O ZINC000409214770 557009443 /nfs/dbraw/zinc/00/94/43/557009443.db2.gz YRKRVFMTBJGZBA-XMHGGMMESA-N 0 0 444.350 5.293 40 30 IKEBRN CCOc1c(I)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC ZINC000409214966 557009619 /nfs/dbraw/zinc/00/96/19/557009619.db2.gz VNUKYGCJGVLBJZ-KEBDBYFISA-N 0 0 429.685 5.411 40 30 IKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1C ZINC000409215362 557010259 /nfs/dbraw/zinc/01/02/59/557010259.db2.gz ZQQRIHDRJMBMOU-UFFVCSGVSA-N 0 0 445.582 6.713 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2Cl)cc1 ZINC000409215765 557010715 /nfs/dbraw/zinc/01/07/15/557010715.db2.gz FCEHJFVVKDYUQZ-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000409215897 557010737 /nfs/dbraw/zinc/01/07/37/557010737.db2.gz GIBNTTYQASAWAR-STBIYBPSSA-N 0 0 445.946 7.230 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409216342 557011227 /nfs/dbraw/zinc/01/12/27/557011227.db2.gz HMDSQZMCYNKVMK-PCLIKHOPSA-N 0 0 440.337 6.789 40 30 IKEBRN Cc1ccccc1/N=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1 ZINC000409216570 557011347 /nfs/dbraw/zinc/01/13/47/557011347.db2.gz MHXZXHGVDBHQJV-JVWAILMASA-N 0 0 430.345 7.240 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cc(Cl)ccc2C)c1 ZINC000409216572 557011367 /nfs/dbraw/zinc/01/13/67/557011367.db2.gz MIEXFHJUQWFMIH-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(C(=O)OCC)c3)o2)SC1=S ZINC000409216870 557011827 /nfs/dbraw/zinc/01/18/27/557011827.db2.gz PEPYJYKJHKETOZ-BOPFTXTBSA-N 0 0 433.938 5.164 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1Cl ZINC000409218832 557012927 /nfs/dbraw/zinc/01/29/27/557012927.db2.gz LGRVAMZRRGAPKT-RPPGKUMJSA-N 0 0 447.749 6.723 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br ZINC000409199401 557012922 /nfs/dbraw/zinc/01/29/22/557012922.db2.gz CLYHOODRUYOWEQ-NUQBIFGMSA-N 0 0 439.419 5.716 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1 ZINC000409199426 557012961 /nfs/dbraw/zinc/01/29/61/557012961.db2.gz COYRNGPINGSJLT-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2cccc(C)c2C)cc1Br ZINC000409200090 557012972 /nfs/dbraw/zinc/01/29/72/557012972.db2.gz GMJARRVHTULLAV-SRZZPIQSSA-N 0 0 425.164 6.368 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc2ccccc2c1/C=N/c1ccccc1 ZINC000409199253 557013025 /nfs/dbraw/zinc/01/30/25/557013025.db2.gz AQYLVYDUBYYJEY-RWPZCVJISA-N 0 0 436.389 7.310 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409219588 557013155 /nfs/dbraw/zinc/01/31/55/557013155.db2.gz RUKCNGBPMKKDQJ-LGJNPRDNSA-N 0 0 442.328 6.543 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409219270 557013160 /nfs/dbraw/zinc/01/31/60/557013160.db2.gz OZKQEKUBUOJPDN-YDZHTSKRSA-N 0 0 436.316 5.520 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3ccccc3C)cc2Cl)cc1 ZINC000409199623 557013215 /nfs/dbraw/zinc/01/32/15/557013215.db2.gz CDIRFTZQCDHBDU-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000409200486 557013413 /nfs/dbraw/zinc/01/34/13/557013413.db2.gz HOZUZLHNHSIWOV-JVWAILMASA-N 0 0 430.345 7.240 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)N1C(C)C ZINC000409199795 557013534 /nfs/dbraw/zinc/01/35/34/557013534.db2.gz DMJMVANFAWBFHS-HFYOLELGSA-N 0 0 433.917 5.597 40 30 IKEBRN COc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000409202567 557013729 /nfs/dbraw/zinc/01/37/29/557013729.db2.gz ROSXISBIINUAIS-LGJNPRDNSA-N 0 0 446.381 6.174 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Br)c1OCc1ccccc1 ZINC000409202335 557013797 /nfs/dbraw/zinc/01/37/97/557013797.db2.gz RSYZSUHHTXLZAH-WGOQTCKBSA-N 0 0 438.365 6.740 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409200853 557013967 /nfs/dbraw/zinc/01/39/67/557013967.db2.gz JQQIXFXZXXXNSX-JFLMPSFJSA-N 0 0 436.939 6.124 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409201151 557014039 /nfs/dbraw/zinc/01/40/39/557014039.db2.gz LZZKNASYKAIPMG-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2cc(Cl)ccc2C)cc1 ZINC000409201374 557014266 /nfs/dbraw/zinc/01/42/66/557014266.db2.gz MHEVOQXWNGUHEB-JVWAILMASA-N 0 0 449.959 6.628 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409201600 557014402 /nfs/dbraw/zinc/01/44/02/557014402.db2.gz MWWDPRVWWPEMOG-KKMKTNMSSA-N 0 0 448.777 7.602 40 30 IKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1cccc2ccccc21 ZINC000409201459 557014408 /nfs/dbraw/zinc/01/44/08/557014408.db2.gz NEMGTDYTXNXUBJ-JVWAILMASA-N 0 0 430.345 7.240 40 30 IKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409201318 557014410 /nfs/dbraw/zinc/01/44/10/557014410.db2.gz LLWADMWTTUVJES-BRJLIKDPSA-N 0 0 445.302 6.548 40 30 IKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000409202227 557014684 /nfs/dbraw/zinc/01/46/84/557014684.db2.gz QMMNNZLDKYFOQK-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409203422 557014835 /nfs/dbraw/zinc/01/48/35/557014835.db2.gz WEZBYQGAMKJHKR-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1 ZINC000409203626 557014871 /nfs/dbraw/zinc/01/48/71/557014871.db2.gz ZKYYUNQMIJAJCP-WPWMEQJKSA-N 0 0 432.520 5.561 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3cccn3Cc3ccccc3[N+](=O)[O-])sc2C1 ZINC000409203867 557015259 /nfs/dbraw/zinc/01/52/59/557015259.db2.gz ZJHYSBMLIANJJP-BCYKDHKFSA-N 0 0 446.576 6.279 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409202826 557015486 /nfs/dbraw/zinc/01/54/86/557015486.db2.gz STALEJMDYMABSZ-LGJNPRDNSA-N 0 0 442.328 6.543 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c(Cl)cc1OC ZINC000409229777 557015780 /nfs/dbraw/zinc/01/57/80/557015780.db2.gz UXYJDDNDZKSWEK-ONNNIBOUSA-N 0 0 434.920 5.510 40 30 IKEBRN Cc1cc(/C=C2\c3ccccc3NC2=O)c(C)n1-c1ccc(OCc2ccc(C#N)cc2)cc1 ZINC000409207558 557016789 /nfs/dbraw/zinc/01/67/89/557016789.db2.gz WRLQVFOSTOSUHS-JVWAILMASA-N 0 0 445.522 6.038 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409208130 557018263 /nfs/dbraw/zinc/01/82/63/557018263.db2.gz BEWGNZHURJSUEW-FOKLQQMPSA-N 0 0 446.246 6.661 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 ZINC000409208278 557018640 /nfs/dbraw/zinc/01/86/40/557018640.db2.gz AFPCTWOANMSHOO-MFKUBSTISA-N 0 0 443.952 5.738 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1C ZINC000409208044 557019397 /nfs/dbraw/zinc/01/93/97/557019397.db2.gz ALLSPDXWQYOFHR-ZMOGYAJESA-N 0 0 439.309 6.304 40 30 IKEBRN COc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000409209437 557019750 /nfs/dbraw/zinc/01/97/50/557019750.db2.gz BOWUNOKSPQWVBA-YZSQISJMSA-N 0 0 431.513 5.675 40 30 IKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(F)cc1 ZINC000409208729 557020056 /nfs/dbraw/zinc/02/00/56/557020056.db2.gz BTBIYGMHHJXKRJ-RDRPBHBLSA-N 0 0 427.475 6.956 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2F)S/C1=N/c1ccc(OC)cc1 ZINC000409238630 557020148 /nfs/dbraw/zinc/02/01/48/557020148.db2.gz FDFKXYTYBKTSDZ-UMUYUUQJSA-N 0 0 439.556 5.449 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C(=O)N1C(C)C ZINC000409209273 557020412 /nfs/dbraw/zinc/02/04/12/557020412.db2.gz FBPOWZQDVPXLRW-GRUKXCDCSA-N 0 0 439.537 5.263 40 30 IKEBRN CC[C@@H](C)n1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c2ccccc21 ZINC000409238912 557020473 /nfs/dbraw/zinc/02/04/73/557020473.db2.gz MCUDAHQPKPQOFY-SPGQCELDSA-N 0 0 433.577 6.245 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409209892 557020665 /nfs/dbraw/zinc/02/06/65/557020665.db2.gz GSAKDSRMKLSNTA-UVHMKAGCSA-N 0 0 448.828 7.372 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409209598 557020707 /nfs/dbraw/zinc/02/07/07/557020707.db2.gz GSJPOMQPIHJENH-MZJWZYIUSA-N 0 0 444.409 6.864 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409209893 557020782 /nfs/dbraw/zinc/02/07/82/557020782.db2.gz GTANRAULTYJUKF-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccc(C)c(C)c3)cc2Cl)c1 ZINC000409210500 557020911 /nfs/dbraw/zinc/02/09/11/557020911.db2.gz JFOHMDNPQDTTMP-UVHMKAGCSA-N 0 0 441.358 6.687 40 30 IKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)o1 ZINC000409239643 557020998 /nfs/dbraw/zinc/02/09/98/557020998.db2.gz HVYXNONYVFYPEM-RGVLZGJSSA-N 0 0 443.355 6.762 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cccc(Cl)c3C)cc2Cl)cc1 ZINC000409210901 557022933 /nfs/dbraw/zinc/02/29/33/557022933.db2.gz HLILQGRADSWKSG-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1Cl ZINC000409210808 557022963 /nfs/dbraw/zinc/02/29/63/557022963.db2.gz LNLZKPGZOKOXRV-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000409231389 557022973 /nfs/dbraw/zinc/02/29/73/557022973.db2.gz CTRLYCVDESSOJX-WOJGMQOQSA-N 0 0 447.343 5.214 40 30 IKEBRN COc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409211007 557023212 /nfs/dbraw/zinc/02/32/12/557023212.db2.gz LQGRGGVKJBETCY-YDZHTSKRSA-N 0 0 436.316 5.520 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1F ZINC000409211088 557023256 /nfs/dbraw/zinc/02/32/56/557023256.db2.gz MUDCAUDAVCTFAF-LGJNPRDNSA-N 0 0 442.328 6.543 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000409212172 557024648 /nfs/dbraw/zinc/02/46/48/557024648.db2.gz PUBANDWJBOQCDE-VULFUBBASA-N 0 0 442.328 6.489 40 30 IKEBRN CCOc1c(Cl)cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC ZINC000409233528 557024926 /nfs/dbraw/zinc/02/49/26/557024926.db2.gz SSJSEHKHKVBJOA-BBWXTVSKSA-N 0 0 446.956 5.380 40 30 IKEBRN Cc1ccc(/N=C\c2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1Cl ZINC000409212187 557025288 /nfs/dbraw/zinc/02/52/88/557025288.db2.gz PWXOPKNOUZMRAG-ZMFRSBBQSA-N 0 0 427.331 6.378 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc32)c1 ZINC000409213411 557025914 /nfs/dbraw/zinc/02/59/14/557025914.db2.gz UNVHNMNOZDIEKK-CVKSISIWSA-N 0 0 441.443 6.816 40 30 IKEBRN Cc1ccccc1/N=C/c1c(OS(=O)(=O)c2ccc(Cl)cc2)ccc2ccccc21 ZINC000409212300 557025919 /nfs/dbraw/zinc/02/59/19/557025919.db2.gz OQUYGVMBOSOXDJ-WGOQTCKBSA-N 0 0 435.932 6.320 40 30 IKEBRN C#CCOc1c(I)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC ZINC000409212527 557026119 /nfs/dbraw/zinc/02/61/19/557026119.db2.gz QVCCXMQPMRAMCX-SRZZPIQSSA-N 0 0 439.680 5.024 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1C ZINC000409212773 557026799 /nfs/dbraw/zinc/02/67/99/557026799.db2.gz QJZAYEVPPWPIPY-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3cccc(OCc4ccc(F)cc4)c3)sc2C1 ZINC000409212798 557026846 /nfs/dbraw/zinc/02/68/46/557026846.db2.gz QZNFCRPSUNMTER-YEPJEUQFSA-N 0 0 446.591 7.239 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3cccc(OCc4ccc(F)cc4)c3)sc2C1 ZINC000409212795 557026876 /nfs/dbraw/zinc/02/68/76/557026876.db2.gz QZNFCRPSUNMTER-FPBZBRPHSA-N 0 0 446.591 7.239 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000409212934 557027071 /nfs/dbraw/zinc/02/70/71/557027071.db2.gz RUWTYWMMNLCIPK-MZJWZYIUSA-N 0 0 441.358 6.632 40 30 IKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000409213296 557027134 /nfs/dbraw/zinc/02/71/34/557027134.db2.gz SGWHOCICOWIENN-ZMOGYAJESA-N 0 0 430.729 6.441 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000409213076 557027140 /nfs/dbraw/zinc/02/71/40/557027140.db2.gz OHBPADYGSXTKFS-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409213372 557027244 /nfs/dbraw/zinc/02/72/44/557027244.db2.gz TVMCQORXHRECNB-ZMOGYAJESA-N 0 0 430.729 6.441 40 30 IKEBRN CCCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OC ZINC000409214455 557027272 /nfs/dbraw/zinc/02/72/72/557027272.db2.gz XMPNDYKMRUIPTP-SRZZPIQSSA-N 0 0 443.712 5.801 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)sc2C1 ZINC000409214085 557027364 /nfs/dbraw/zinc/02/73/64/557027364.db2.gz XWBKAMHDXSCUSC-HJQVIKLGSA-N 0 0 446.370 6.192 40 30 IKEBRN COc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 ZINC000409214374 557027446 /nfs/dbraw/zinc/02/74/46/557027446.db2.gz XDWOOYMJQFRXDH-ZMOGYAJESA-N 0 0 430.729 6.441 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 ZINC000409213793 557027624 /nfs/dbraw/zinc/02/76/24/557027624.db2.gz QWJHNNNGFGXXKE-VULFUBBASA-N 0 0 430.331 6.730 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1C ZINC000409213565 557027661 /nfs/dbraw/zinc/02/76/61/557027661.db2.gz UUTPCDDGIHIQPP-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C\c3cccc(OCc4ccccc4F)c3)sc2C1 ZINC000409213695 557027728 /nfs/dbraw/zinc/02/77/28/557027728.db2.gz QIMUJYQDAHIGAY-FPBZBRPHSA-N 0 0 446.591 7.239 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3cccc(OCc4ccccc4F)c3)sc2C1 ZINC000409213699 557027731 /nfs/dbraw/zinc/02/77/31/557027731.db2.gz QIMUJYQDAHIGAY-YEPJEUQFSA-N 0 0 446.591 7.239 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409215212 557028299 /nfs/dbraw/zinc/02/82/99/557028299.db2.gz YSTUPSCWJHFYRF-YDZHTSKRSA-N 0 0 436.316 5.520 40 30 IKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c1C ZINC000409215075 557028330 /nfs/dbraw/zinc/02/83/30/557028330.db2.gz ZRTYKCUWWIMIGB-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)c(C)c1 ZINC000409215335 557029084 /nfs/dbraw/zinc/02/90/84/557029084.db2.gz ZERQNUHXBGLWBL-WKULSOCRSA-N 0 0 434.366 8.093 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409215540 557029941 /nfs/dbraw/zinc/02/99/41/557029941.db2.gz AUHLVXYTMREXIU-VULFUBBASA-N 0 0 430.382 6.555 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccccc1 ZINC000409215601 557030192 /nfs/dbraw/zinc/03/01/92/557030192.db2.gz CBANSYMVLCUZMM-BUVRLJJBSA-N 0 0 429.925 5.565 40 30 IKEBRN Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)cc1Cl ZINC000409215655 557030197 /nfs/dbraw/zinc/03/01/97/557030197.db2.gz CYPCRIICLUWHQH-WGOQTCKBSA-N 0 0 435.932 6.320 40 30 IKEBRN C=CCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OCC ZINC000409216352 557030519 /nfs/dbraw/zinc/03/05/19/557030519.db2.gz KDIFPTNKTBWWRQ-LPYMAVHISA-N 0 0 435.305 5.622 40 30 IKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000409216011 557030526 /nfs/dbraw/zinc/03/05/26/557030526.db2.gz HGHDZKDAGVXSBQ-YDZHTSKRSA-N 0 0 425.282 5.995 40 30 IKEBRN C=CCOc1c(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cccc1OC ZINC000408526724 557030516 /nfs/dbraw/zinc/03/05/16/557030516.db2.gz BYOOGJAJUBIYLU-YVLHZVERSA-N 0 0 435.929 5.458 40 30 IKEBRN CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409251062 557030450 /nfs/dbraw/zinc/03/04/50/557030450.db2.gz ZUCLPSTZKQZSFN-AOUVVKEYSA-N 0 0 430.529 6.111 40 30 IKEBRN C=CCOc1c(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cccc1OC ZINC000408530496 557030571 /nfs/dbraw/zinc/03/05/71/557030571.db2.gz LJCHFDFITJKDAO-WQRHYEAKSA-N 0 0 433.888 5.289 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409250562 557030882 /nfs/dbraw/zinc/03/08/82/557030882.db2.gz XILZZJAKEWTWEW-AOFZEWBLSA-N 0 0 446.547 6.337 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408528331 557031227 /nfs/dbraw/zinc/03/12/27/557031227.db2.gz DRAWCHXNGCSGKG-HMAPJEAMSA-N 0 0 434.492 5.305 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409216719 557031258 /nfs/dbraw/zinc/03/12/58/557031258.db2.gz KPBTZKYPCDVMJJ-VULFUBBASA-N 0 0 438.365 6.713 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 ZINC000409216600 557031277 /nfs/dbraw/zinc/03/12/77/557031277.db2.gz JTTPOKVGHYTZHY-CVKSISIWSA-N 0 0 438.365 6.794 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccc(C)cc1 ZINC000409216899 557031290 /nfs/dbraw/zinc/03/12/90/557031290.db2.gz PPXDSVWNOGYJKB-WRIATZMJSA-N 0 0 438.593 5.672 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1C ZINC000409216917 557031354 /nfs/dbraw/zinc/03/13/54/557031354.db2.gz MJSJTZFRWUVAHG-WKULSOCRSA-N 0 0 434.366 8.093 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1C ZINC000409217271 557031576 /nfs/dbraw/zinc/03/15/76/557031576.db2.gz OLWFOHQZZJHWSJ-BRJLIKDPSA-N 0 0 429.303 6.848 40 30 IKEBRN CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Br)o2)C2=C1CC(C)(C)CC2=O ZINC000409217162 557031657 /nfs/dbraw/zinc/03/16/57/557031657.db2.gz STTLJQBEZIKGLO-UHFFFAOYSA-N 0 0 432.358 5.358 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409217860 557031911 /nfs/dbraw/zinc/03/19/11/557031911.db2.gz XRHXLNVCEWWBJJ-BUVRLJJBSA-N 0 0 429.925 5.565 40 30 IKEBRN Cc1ccc(COc2ccccc2/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000408531321 557031964 /nfs/dbraw/zinc/03/19/64/557031964.db2.gz PIHFKVIXKKDIJH-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cc3C)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409242191 557032300 /nfs/dbraw/zinc/03/23/00/557032300.db2.gz VFXHGRZDBZJYQM-FVGZADTASA-N 0 0 447.579 6.474 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1Cl ZINC000408533225 557032425 /nfs/dbraw/zinc/03/24/25/557032425.db2.gz QEAIGMVSVROTGL-KHHYFDFNSA-N 0 0 448.975 6.774 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1Br ZINC000409242811 557032819 /nfs/dbraw/zinc/03/28/19/557032819.db2.gz PEGXTOKLBHVJNZ-ISFSXHQYSA-N 0 0 449.345 5.611 40 30 IKEBRN COc1cc(/C=N/c2ccc(F)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541452 557033661 /nfs/dbraw/zinc/03/36/61/557033661.db2.gz GHVILOKDZYGMJF-RDRPBHBLSA-N 0 0 446.522 5.790 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc([N+](=O)[O-])cc3C)c3ccccc32)c1 ZINC000408541810 557033663 /nfs/dbraw/zinc/03/36/63/557033663.db2.gz HUJCVNZHYHAPOM-VULFUBBASA-N 0 0 427.460 5.443 40 30 IKEBRN CCN(CC)c1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 ZINC000408542715 557033891 /nfs/dbraw/zinc/03/38/91/557033891.db2.gz NOETUEVRGQAVTH-RDRPBHBLSA-N 0 0 439.559 6.073 40 30 IKEBRN COc1cc(/C=N\c2ccccc2C)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543115 557034264 /nfs/dbraw/zinc/03/42/64/557034264.db2.gz PBOUHGMBCVUTTD-CEUNXORHSA-N 0 0 442.559 5.959 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3cccc(C(=O)OC)c3)c3ccccc32)c1 ZINC000408544856 557034511 /nfs/dbraw/zinc/03/45/11/557034511.db2.gz XZFLPVFBQJQCHP-DICXZTSXSA-N 0 0 426.472 5.013 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(Br)c3)c3ccccc32)c1 ZINC000408544001 557034557 /nfs/dbraw/zinc/03/45/57/557034557.db2.gz RHHCOFMPULRTGD-VULFUBBASA-N 0 0 447.332 5.989 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(-c4ccccc4)cc3)c3ccccc32)c1 ZINC000408544061 557034635 /nfs/dbraw/zinc/03/46/35/557034635.db2.gz ULYKNWDTYQORDA-ZCTHSVRISA-N 0 0 444.534 6.894 40 30 IKEBRN COc1cc(C)c(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)cc1OC ZINC000408549289 557035236 /nfs/dbraw/zinc/03/52/36/557035236.db2.gz SBCYTSUCDTWJGO-GCNWNYGFSA-N 0 0 444.556 5.816 40 30 IKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(N3CCCC3)c3ccccc23)S1 ZINC000409220910 557035892 /nfs/dbraw/zinc/03/58/92/557035892.db2.gz HPEZBAVGCZTPMV-HZHRSRAPSA-N 0 0 447.991 6.293 40 30 IKEBRN N#Cc1c(NC(=O)CN2CCc3ccccc3C2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408554371 557037039 /nfs/dbraw/zinc/03/70/39/557037039.db2.gz DMKVMSAJTYPARJ-UHFFFAOYSA-N 0 0 433.511 5.482 40 30 IKEBRN C=CCOc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1 ZINC000408558115 557038212 /nfs/dbraw/zinc/03/82/12/557038212.db2.gz PWCSTBKSKBUVGA-UHFFFAOYSA-N 0 0 431.555 6.042 40 30 IKEBRN CCC(C)(C)[C@@H]1CCC(=O)C(=CNc2ccc(Br)cc2Br)C1 ZINC000408563915 557039120 /nfs/dbraw/zinc/03/91/20/557039120.db2.gz SEEYYOAAKIOYGV-XZHRJIJLSA-N 0 0 429.196 6.313 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000408561261 557039730 /nfs/dbraw/zinc/03/97/30/557039730.db2.gz ZWLVXACOTUUUIP-UHFFFAOYSA-N 0 0 442.588 5.556 40 30 IKEBRN C=CCOc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000408562537 557040261 /nfs/dbraw/zinc/04/02/61/557040261.db2.gz ACCQQFAXIHLPTF-AREMUKBSSA-N 0 0 444.556 5.278 40 30 IKEBRN COc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1C#N ZINC000408569990 557042003 /nfs/dbraw/zinc/04/20/03/557042003.db2.gz KMWARNOYLDMLHY-JOCHJYFZSA-N 0 0 427.460 5.036 40 30 IKEBRN C=CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Cl ZINC000408571274 557042237 /nfs/dbraw/zinc/04/22/37/557042237.db2.gz ODTPOOHWAUPZAY-LJQANCHMSA-N 0 0 448.907 5.043 40 30 IKEBRN CC[C@@H](C)Oc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1 ZINC000409278026 557044669 /nfs/dbraw/zinc/04/46/69/557044669.db2.gz CQVAGTKGVNKIKR-OAHLLOKOSA-N 0 0 442.357 5.342 40 30 IKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccc(Cl)cc3)sc2C1 ZINC000408581997 557044970 /nfs/dbraw/zinc/04/49/70/557044970.db2.gz KTPMZJHRJLFLEQ-CQSZACIVSA-N 0 0 433.042 6.545 40 30 IKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(C)s2)cc1C(C)C ZINC000409278281 557044985 /nfs/dbraw/zinc/04/49/85/557044985.db2.gz CKKIHVZDPROYBL-UHFFFAOYSA-N 0 0 445.588 6.146 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cccc(Cl)c1Cl ZINC000408587874 557046117 /nfs/dbraw/zinc/04/61/17/557046117.db2.gz HPFBGTUBCQUOMY-LSHDLFTRSA-N 0 0 448.266 5.663 40 30 IKEBRN Cc1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c(C)n1C(C)C ZINC000409281122 557046834 /nfs/dbraw/zinc/04/68/34/557046834.db2.gz COZKILLSOHZMDH-UHFFFAOYSA-N 0 0 443.389 5.338 40 30 IKEBRN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1cccc(Cl)c1 ZINC000409283225 557047829 /nfs/dbraw/zinc/04/78/29/557047829.db2.gz OQUGBIUSZIIBPB-UHFFFAOYSA-N 0 0 434.282 5.999 40 30 IKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C(C)C)c(OC)cc1C ZINC000409285269 557049416 /nfs/dbraw/zinc/04/94/16/557049416.db2.gz WCQWMKNQXNEESI-UHFFFAOYSA-N 0 0 442.357 5.044 40 30 IKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1OCC(C)(C)C ZINC000409288046 557051402 /nfs/dbraw/zinc/05/14/02/557051402.db2.gz CCRCNLQQQLQROE-UHFFFAOYSA-N 0 0 442.357 5.029 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccccc3I)cc2)cc1 ZINC000409226436 557051551 /nfs/dbraw/zinc/05/15/51/557051551.db2.gz NVEBTXILEVZVBL-HMAPJEAMSA-N 0 0 429.326 6.501 40 30 IKEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccccc2)o1 ZINC000409290103 557052063 /nfs/dbraw/zinc/05/20/63/557052063.db2.gz QUBLIENNULRFHA-UHFFFAOYSA-N 0 0 436.309 5.425 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)cc2)cc1 ZINC000409227583 557053623 /nfs/dbraw/zinc/05/36/23/557053623.db2.gz QGTXQRHWVAPFBD-HAHDFKILSA-N 0 0 430.598 6.655 40 30 IKEBRN COc1ccc(Cl)cc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409297846 557054610 /nfs/dbraw/zinc/05/46/10/557054610.db2.gz LHJCAYDVVULBKV-UHFFFAOYSA-N 0 0 448.748 5.001 40 30 IKEBRN CC[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1OC ZINC000409298169 557054683 /nfs/dbraw/zinc/05/46/83/557054683.db2.gz YMDPCHODUTZZMS-GOSISDBHSA-N 0 0 433.552 5.512 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)c1 ZINC000408592781 557054727 /nfs/dbraw/zinc/05/47/27/557054727.db2.gz NVWGEQUWZYITKY-LQKURTRISA-N 0 0 435.483 6.302 40 30 IKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408592615 557054747 /nfs/dbraw/zinc/05/47/47/557054747.db2.gz MWTXFEUGIJWONW-JVWAILMASA-N 0 0 426.472 6.186 40 30 IKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000409298836 557055042 /nfs/dbraw/zinc/05/50/42/557055042.db2.gz XZMJOWADJSEJLB-UHFFFAOYSA-N 0 0 441.491 5.025 40 30 IKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(C)o2)cc1C(C)C ZINC000409298746 557055133 /nfs/dbraw/zinc/05/51/33/557055133.db2.gz XLURHPNDNTUBLJ-UHFFFAOYSA-N 0 0 429.520 5.678 40 30 IKEBRN C=CCc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccc(C)cc1 ZINC000408590277 557055688 /nfs/dbraw/zinc/05/56/88/557055688.db2.gz HDVLUXXPBWGFLF-JVWAILMASA-N 0 0 446.503 5.770 40 30 IKEBRN C=CCc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(OC)c1OCc1ccccc1 ZINC000408590266 557055761 /nfs/dbraw/zinc/05/57/61/557055761.db2.gz HBCKLFHYPZEHLJ-WGOQTCKBSA-N 0 0 432.476 5.462 40 30 IKEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(F)c2)cc1C(C)C ZINC000409303912 557055977 /nfs/dbraw/zinc/05/59/77/557055977.db2.gz IMGJVSJDWDWXFA-UHFFFAOYSA-N 0 0 429.495 5.525 40 30 IKEBRN CC(C)n1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c2ccccc21 ZINC000409307628 557056350 /nfs/dbraw/zinc/05/63/50/557056350.db2.gz UIMIMKFUOTUAFH-UHFFFAOYSA-N 0 0 446.510 6.228 40 30 IKEBRN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000409304419 557056411 /nfs/dbraw/zinc/05/64/11/557056411.db2.gz JYUIXQQHNHGQAN-UHFFFAOYSA-N 0 0 449.441 6.091 40 30 IKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2C)cc1C(C)C ZINC000409308538 557056585 /nfs/dbraw/zinc/05/65/85/557056585.db2.gz XUOBTOIFLDGRHI-UHFFFAOYSA-N 0 0 439.559 6.085 40 30 IKEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(Cl)c2)cc1C(C)C ZINC000409308849 557056657 /nfs/dbraw/zinc/05/66/57/557056657.db2.gz YUMMHZDNGISGMR-UHFFFAOYSA-N 0 0 445.950 6.040 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1cn(CC(=O)Nc2ccc(Cl)cc2)c2ccccc12 ZINC000408597450 557056773 /nfs/dbraw/zinc/05/67/73/557056773.db2.gz ZZOSPTRTZQTDBI-CCVNUDIWSA-N 0 0 442.906 5.356 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC ZINC000409230942 557057240 /nfs/dbraw/zinc/05/72/40/557057240.db2.gz HCOJPRDNANZVEO-HLSZVSLFSA-N 0 0 440.565 5.505 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2c(OCc3ccc(F)cc3)ccc3ccccc32)c1 ZINC000408594160 557058032 /nfs/dbraw/zinc/05/80/32/557058032.db2.gz SPJGNFJEJFNDPZ-JFLMPSFJSA-N 0 0 430.435 6.017 40 30 IKEBRN Cc1cccc(-n2cccc2C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c1 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CZBVKXZOXSTPKW-ZVHZXABRSA-N 0 0 435.325 5.286 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccccc4Cl)c3)S2)c(C)c1 ZINC000408723862 557133624 /nfs/dbraw/zinc/13/36/24/557133624.db2.gz WRCGYRZRWNQPJT-OEAKJJBVSA-N 0 0 448.975 6.427 40 30 IKEBRN COc1ccc(/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 ZINC000102879649 557133763 /nfs/dbraw/zinc/13/37/63/557133763.db2.gz XEWLVIYGZFVAIE-XKZIYDEJSA-N 0 0 430.289 5.458 40 30 IKEBRN C=CCN1C(=O)C(=CC2=CC(=NNc3cccc(C(F)(F)F)c3)C=CC2=O)SC1=S ZINC000408725036 557134893 /nfs/dbraw/zinc/13/48/93/557134893.db2.gz IKRZQHYEGMCXTE-HNLXCZNRSA-N 0 0 449.479 6.214 40 30 IKEBRN O=[N+]([O-])c1ccc(Cl)c(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn32)c1 ZINC000408721112 557135178 /nfs/dbraw/zinc/13/51/78/557135178.db2.gz KPUHXHPMWSHBBE-ZVBGSRNCSA-N 0 0 445.660 5.669 40 30 IKEBRN Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)S2)c1 ZINC000408721825 557135842 /nfs/dbraw/zinc/13/58/42/557135842.db2.gz ZUHHQCZLFXTHPZ-UUYOSTAYSA-N 0 0 447.516 5.980 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccc(OC)cc2)cc1 ZINC000408722119 557136069 /nfs/dbraw/zinc/13/60/69/557136069.db2.gz FBNMCWIBLVVOQL-MFKUBSTISA-N 0 0 445.500 6.153 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccc(Br)cc3)sc2-c2ccccc2)cc1 ZINC000408722249 557136121 /nfs/dbraw/zinc/13/61/21/557136121.db2.gz FUJSMHIHXQDVBO-MFKUBSTISA-N 0 0 449.373 6.999 40 30 IKEBRN CCOc1cc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccccc3)s2)ccc1O ZINC000408722060 557136150 /nfs/dbraw/zinc/13/61/50/557136150.db2.gz CTAKWAPHHOMWHP-WGOQTCKBSA-N 0 0 430.529 6.341 40 30 IKEBRN CCc1ccc(-c2nc(/N=C/c3ccc(C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408722597 557136442 /nfs/dbraw/zinc/13/64/42/557136442.db2.gz LRXDUTLBOQNHPB-WGOQTCKBSA-N 0 0 427.529 7.007 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccc(OC)cc3OC)sc2-c2ccccc2)cc1 ZINC000408723044 557136735 /nfs/dbraw/zinc/13/67/35/557136735.db2.gz PTFPQLJEPZXYGM-WGOQTCKBSA-N 0 0 430.529 6.254 40 30 IKEBRN CCc1ccc(-c2nc(/N=C/c3cccc(OC)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408723054 557136764 /nfs/dbraw/zinc/13/67/64/557136764.db2.gz PXHHUGJTXGFXPC-WGOQTCKBSA-N 0 0 443.528 6.707 40 30 IKEBRN C=CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000409360165 557137383 /nfs/dbraw/zinc/13/73/83/557137383.db2.gz LZRBATQESUHQEB-UHFFFAOYSA-N 0 0 442.585 5.076 40 30 IKEBRN C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000409361741 557137548 /nfs/dbraw/zinc/13/75/48/557137548.db2.gz PSLXSFXFHSFZCE-UHFFFAOYSA-N 0 0 438.622 5.245 40 30 IKEBRN COc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1OC ZINC000408727582 557137642 /nfs/dbraw/zinc/13/76/42/557137642.db2.gz UMDNVXWUGMVMHY-JXKYSLRESA-N 0 0 444.556 5.377 40 30 IKEBRN CN(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000103510939 557138276 /nfs/dbraw/zinc/13/82/76/557138276.db2.gz CUIUOADXVJYRCI-GJHWIIEUSA-N 0 0 427.573 5.599 40 30 IKEBRN O=C(CO/N=C\c1cc(Cl)ccc1OCc1cccc(F)c1)Nc1ccc(Cl)cc1 ZINC000409375186 557138524 /nfs/dbraw/zinc/13/85/24/557138524.db2.gz GVXKTJFYPUAWDI-ZRGSRPPYSA-N 0 0 447.293 5.701 40 30 IKEBRN Cc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(C)n1-c1ccc(F)cc1 ZINC000409375724 557138827 /nfs/dbraw/zinc/13/88/27/557138827.db2.gz OLYAFHXUZZOADB-WKULSOCRSA-N 0 0 439.446 6.969 40 30 IKEBRN O=S(=O)(c1ccc(/N=C/c2c(O)ccc3ccccc32)cc1)N1CCc2ccccc2C1 ZINC000408730957 557139282 /nfs/dbraw/zinc/13/92/82/557139282.db2.gz XBCAVPVBPXUNAO-WPWMEQJKSA-N 0 0 442.540 5.043 40 30 IKEBRN Ic1ccc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)cc1 ZINC000408733177 557139377 /nfs/dbraw/zinc/13/93/77/557139377.db2.gz FRDRHJISVHLDII-JAIQZWGSSA-N 0 0 445.285 5.607 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)C(=O)N(c2ccccc2)C1=S ZINC000408731138 557139419 /nfs/dbraw/zinc/13/94/19/557139419.db2.gz XVYVBFQWWRLBNH-XIEYBQDHSA-N 0 0 448.547 5.723 40 30 IKEBRN O=S(=O)(c1ccc(/N=C/c2c(Cl)cccc2Cl)cc1)N1CCc2ccccc2C1 ZINC000408731001 557139432 /nfs/dbraw/zinc/13/94/32/557139432.db2.gz XQEMHLHBBXHIJI-AFUMVMLFSA-N 0 0 445.371 5.491 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1OC ZINC000409376990 557139576 /nfs/dbraw/zinc/13/95/76/557139576.db2.gz DHSOZBBACIXPNZ-JIIAKRDZSA-N 0 0 430.957 5.760 40 30 IKEBRN COc1cc(/C=N\OCC(=O)Nc2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000409377830 557139888 /nfs/dbraw/zinc/13/98/88/557139888.db2.gz LEGGXGGCZKFWDK-QRQIAZFYSA-N 0 0 440.499 5.417 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(-c4ccccc4)cc3)c2)cc1C ZINC000409379023 557140252 /nfs/dbraw/zinc/14/02/52/557140252.db2.gz UHIFWSCYHVDVAQ-NDZAJKAJSA-N 0 0 434.539 6.739 40 30 IKEBRN N#CCn1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000409379903 557140686 /nfs/dbraw/zinc/14/06/86/557140686.db2.gz BISMDSGRDIENSB-YOIRLTMBSA-N 0 0 438.512 5.562 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2ccc(I)cc2)cc1OC ZINC000409380967 557140702 /nfs/dbraw/zinc/14/07/02/557140702.db2.gz QFSZKFQXECVIMW-UORWWSPDSA-N 0 0 443.712 5.881 40 30 IKEBRN COc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 ZINC000409383331 557140891 /nfs/dbraw/zinc/14/08/91/557140891.db2.gz UHTHWPIWBAMUCA-RPPGKUMJSA-N 0 0 447.293 5.909 40 30 IKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccccc2I)cc1OC ZINC000409383091 557141010 /nfs/dbraw/zinc/14/10/10/557141010.db2.gz ZDFTVKAICJOMPF-WLQYJRLHSA-N 0 0 443.712 5.881 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3cccc(OC)c3)cc2)cc1OC ZINC000409382474 557141307 /nfs/dbraw/zinc/14/13/07/557141307.db2.gz NDYVRKQBGFTFLS-AKBIMGJMSA-N 0 0 439.939 7.077 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(N(C)C)c(Br)c3)S2)cc1C ZINC000408730086 557141481 /nfs/dbraw/zinc/14/14/81/557141481.db2.gz MXYXEWVGECKTOW-WQRHYEAKSA-N 0 0 430.371 5.024 40 30 IKEBRN COc1cc(/C=N/c2ccccc2F)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000408734211 557141669 /nfs/dbraw/zinc/14/16/69/557141669.db2.gz DKFQZPDCWMPUAX-LGJNPRDNSA-N 0 0 439.895 6.672 40 30 IKEBRN COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc32)o1 ZINC000409393345 557142927 /nfs/dbraw/zinc/14/29/27/557142927.db2.gz QKKIKGVWCWJKPX-BHGWPJFGSA-N 0 0 437.839 5.381 40 30 IKEBRN C=CCN(CC=C)C(=S)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 ZINC000408735528 557142977 /nfs/dbraw/zinc/14/29/77/557142977.db2.gz QZPKDFLBOWLZCB-UHFFFAOYSA-N 0 0 437.568 6.302 40 30 IKEBRN O=c1[nH]c(NN=Cc2ccc(OCc3ccc(Cl)cc3Cl)cc2)nc2ccccc12 ZINC000408733482 557143022 /nfs/dbraw/zinc/14/30/22/557143022.db2.gz YEMPDCWEZPGATN-BRJLIKDPSA-N 0 0 439.302 5.667 40 30 IKEBRN COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccccc1C#N ZINC000408733849 557143361 /nfs/dbraw/zinc/14/33/61/557143361.db2.gz BDIQBRBANMJIHE-UHFFFAOYSA-N 0 0 443.528 5.402 40 30 IKEBRN C=CCOc1ccccc1[C@@H]1Nc2ccc(I)cc2[C@@H]2C=CC[C@@H]21 ZINC000408736426 557144207 /nfs/dbraw/zinc/14/42/07/557144207.db2.gz SBVGUSQCSPWPHP-VWKPWSFCSA-N 0 0 429.301 5.683 40 30 IKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(C)cn1 ZINC000409402375 557144356 /nfs/dbraw/zinc/14/43/56/557144356.db2.gz DZQCAYKKTXMHSD-UHFFFAOYSA-N 0 0 433.515 5.057 40 30 IKEBRN C=CCc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(OC)c1OCC ZINC000409402646 557144376 /nfs/dbraw/zinc/14/43/76/557144376.db2.gz IOYGKFVZWMTABB-UHFFFAOYSA-N 0 0 439.515 5.082 40 30 IKEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OC(C)C ZINC000409404727 557144641 /nfs/dbraw/zinc/14/46/41/557144641.db2.gz QULISXJXZQBKRD-UHFFFAOYSA-N 0 0 447.922 5.395 40 30 IKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(F)cc1 ZINC000409404293 557144644 /nfs/dbraw/zinc/14/46/44/557144644.db2.gz KJDXZBDHBOEYTK-UHFFFAOYSA-N 0 0 436.490 5.492 40 30 IKEBRN CC[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Cl ZINC000409404302 557144664 /nfs/dbraw/zinc/14/46/64/557144664.db2.gz PEADCZMUSJXJIQ-QGZVFWFLSA-N 0 0 431.923 5.776 40 30 IKEBRN CC[C@H](C)n1c(C)c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c2ccccc21 ZINC000409404268 557144674 /nfs/dbraw/zinc/14/46/74/557144674.db2.gz OZKXNCCWPDPTDL-IBGZPJMESA-N 0 0 434.543 6.180 40 30 IKEBRN CCOc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OC ZINC000409403492 557144700 /nfs/dbraw/zinc/14/47/00/557144700.db2.gz MIRHHUDSRMXZKM-UHFFFAOYSA-N 0 0 433.895 5.006 40 30 IKEBRN Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408737596 557144739 /nfs/dbraw/zinc/14/47/39/557144739.db2.gz FLMQGHANVGYBIX-WSDLNYQXSA-N 0 0 434.708 6.103 40 30 IKEBRN Cc1cc(/C=N/c2ccc(Br)cc2C)c(C)n1-c1ccc(Br)cc1 ZINC000408737424 557144797 /nfs/dbraw/zinc/14/47/97/557144797.db2.gz ABMGYOCQRHGTAW-FSJBWODESA-N 0 0 446.186 6.678 40 30 IKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccccc1F ZINC000409407300 557144946 /nfs/dbraw/zinc/14/49/46/557144946.db2.gz SZUNXFHJXZEQFN-UHFFFAOYSA-N 0 0 436.490 5.492 40 30 IKEBRN Cc1ccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2)cc1 ZINC000409406540 557144962 /nfs/dbraw/zinc/14/49/62/557144962.db2.gz XNPMNAIUHNYFTN-UHFFFAOYSA-N 0 0 445.522 5.833 40 30 IKEBRN CC(C)Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409407101 557145042 /nfs/dbraw/zinc/14/50/42/557145042.db2.gz ZUCJZMQIHSAGNS-UHFFFAOYSA-N 0 0 433.511 5.886 40 30 IKEBRN COc1ccc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)cc1Br ZINC000408737625 557145093 /nfs/dbraw/zinc/14/50/93/557145093.db2.gz FDAXRMIBPCTSTC-PXNMLYILSA-N 0 0 437.746 5.311 40 30 IKEBRN CCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000408738203 557146614 /nfs/dbraw/zinc/14/66/14/557146614.db2.gz JBRVUNGFHGOWAX-ZVHZXABRSA-N 0 0 425.326 5.784 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408739265 557147424 /nfs/dbraw/zinc/14/74/24/557147424.db2.gz UVODHIDEAPCGIA-UUYOSTAYSA-N 0 0 435.980 6.256 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1C1CCCCC1 ZINC000408739421 557147443 /nfs/dbraw/zinc/14/74/43/557147443.db2.gz BRXHIBVPZQYGQG-UNOMPAQXSA-N 0 0 448.419 6.809 40 30 IKEBRN C(=N/c1cccc2cccnc21)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408739439 557147708 /nfs/dbraw/zinc/14/77/08/557147708.db2.gz BZQNAGVDFJLCTC-PPFNPFNJSA-N 0 0 449.557 8.110 40 30 IKEBRN Cc1cc(/C=N/c2cccc(Br)c2)c(C)n1-c1ccc(Br)cc1 ZINC000408738617 557147733 /nfs/dbraw/zinc/14/77/33/557147733.db2.gz MMXJEVPVWYRSLY-WSDLNYQXSA-N 0 0 432.159 6.370 40 30 IKEBRN O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1ccc(Cl)c(Cl)c1 ZINC000408740203 557148587 /nfs/dbraw/zinc/14/85/87/557148587.db2.gz DUJGFZBDEKJJIW-AUWJEWJLSA-N 0 0 428.138 5.648 40 30 IKEBRN CC(C)COc1ccc(/C=C2\SC(=Nc3cccc(Br)c3)NC2=O)cc1 ZINC000408739943 557148612 /nfs/dbraw/zinc/14/86/12/557148612.db2.gz BYTPVZSOZNCIDG-ZDLGFXPLSA-N 0 0 431.355 5.376 40 30 IKEBRN COc1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408740059 557148690 /nfs/dbraw/zinc/14/86/90/557148690.db2.gz ICFPRJJMPQVYCG-DFKUXCBWSA-N 0 0 428.535 7.571 40 30 IKEBRN Cc1cc(/C=N\c2ccc(I)c(C)c2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408739911 557148782 /nfs/dbraw/zinc/14/87/82/557148782.db2.gz GIRSFLSDTLRBTB-CFRMEGHHSA-N 0 0 442.344 6.375 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000408740503 557149124 /nfs/dbraw/zinc/14/91/24/557149124.db2.gz LECMKJCGOBSWNF-WEMUVCOSSA-N 0 0 426.563 8.179 40 30 IKEBRN C(=N/c1ccc2ncccc2c1)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408740429 557149138 /nfs/dbraw/zinc/14/91/38/557149138.db2.gz KNNDPDGVINHVMU-PPFNPFNJSA-N 0 0 449.557 8.110 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 ZINC000408742187 557150361 /nfs/dbraw/zinc/15/03/61/557150361.db2.gz QAEAFHHIASCCRT-IWIPYMOSSA-N 0 0 445.588 6.001 40 30 IKEBRN O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1cccc(Br)c1 ZINC000408743292 557150742 /nfs/dbraw/zinc/15/07/42/557150742.db2.gz VQJBNDIEHOZAJF-ZSOIEALJSA-N 0 0 438.144 5.103 40 30 IKEBRN Cc1cccc(COc2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)cc2Br)c1 ZINC000408748885 557156269 /nfs/dbraw/zinc/15/62/69/557156269.db2.gz CNNRAYIPHWFXGN-KSEXSDGBSA-N 0 0 441.285 5.086 40 30 IKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)cc1 ZINC000408744101 557156276 /nfs/dbraw/zinc/15/62/76/557156276.db2.gz WRHNDHBSQVVWRO-WPWMEQJKSA-N 0 0 432.520 5.588 40 30 IKEBRN O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cccc(Br)c1 ZINC000408749239 557156651 /nfs/dbraw/zinc/15/66/51/557156651.db2.gz MACFMJJEUZICLW-VGOFMYFVSA-N 0 0 428.138 5.648 40 30 IKEBRN CC(C)c1ccc(/C=C2/SC(=Nc3ccccc3I)NC2=O)cc1 ZINC000408748314 557157639 /nfs/dbraw/zinc/15/76/39/557157639.db2.gz BRVCHFQWZDYIDK-GZTJUZNOSA-N 0 0 448.329 5.306 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)nc1 ZINC000408748469 557157990 /nfs/dbraw/zinc/15/79/90/557157990.db2.gz ARPBPLVRHOFXTC-MRUKODCESA-N 0 0 440.290 5.746 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 ZINC000106725009 557159507 /nfs/dbraw/zinc/15/95/07/557159507.db2.gz PBMBATURGRPLNH-PDGQHHTCSA-N 0 0 430.323 5.250 40 30 IKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc2ccccc2c1 ZINC000408750987 557159793 /nfs/dbraw/zinc/15/97/93/557159793.db2.gz VBIVCTOOPXKYKA-WGARJPEWSA-N 0 0 428.448 5.177 40 30 IKEBRN CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCC#N ZINC000106733509 557159841 /nfs/dbraw/zinc/15/98/41/557159841.db2.gz JCQPOYLRXWVWSR-ODLFYWEKSA-N 0 0 446.887 5.017 40 30 IKEBRN CC(C)c1ccc(/C=C2/SC(=Nc3ccc(I)cc3)NC2=O)cc1 ZINC000408751709 557159967 /nfs/dbraw/zinc/15/99/67/557159967.db2.gz AJSRRDBRUHLMFO-GZTJUZNOSA-N 0 0 448.329 5.306 40 30 IKEBRN N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 ZINC000408751288 557160081 /nfs/dbraw/zinc/16/00/81/557160081.db2.gz YVQCPWWIYXNHMP-UHFFFAOYSA-N 0 0 435.961 6.366 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)c(C)c4)c3C)S2)cc1 ZINC000408752052 557160327 /nfs/dbraw/zinc/16/03/27/557160327.db2.gz BMTNQAACDLCACK-IWIPYMOSSA-N 0 0 429.589 6.165 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)c2C)cc1 ZINC000408752543 557160702 /nfs/dbraw/zinc/16/07/02/557160702.db2.gz BMTQHYPBSNPCCI-IWIPYMOSSA-N 0 0 429.589 6.165 40 30 IKEBRN CC(C)(C)c1cc(/C=C2/SC(=Nc3cccc(Cl)c3)NC2=O)cc(C(C)(C)C)c1O ZINC000408749899 557160984 /nfs/dbraw/zinc/16/09/84/557160984.db2.gz USWAGUFAYSVYDD-XDHOZWIPSA-N 0 0 443.012 6.532 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 ZINC000408750122 557161073 /nfs/dbraw/zinc/16/10/73/557161073.db2.gz XNYAFDZIKAHTHS-LICLKQGHSA-N 0 0 449.746 6.798 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc(I)cc3C)c2C)cc1 ZINC000408753668 557164950 /nfs/dbraw/zinc/16/49/50/557164950.db2.gz KHBQEROSFYEIGG-OYKKKHCWSA-N 0 0 442.344 6.320 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4OC)o3)S2)cc1 ZINC000408754046 557165198 /nfs/dbraw/zinc/16/51/98/557165198.db2.gz LQRQRKFLRSYMNO-BKUYFWCQSA-N 0 0 449.488 5.317 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408755515 557167783 /nfs/dbraw/zinc/16/77/83/557167783.db2.gz QOBPKMXXFPAEBH-UUYOSTAYSA-N 0 0 435.980 6.256 40 30 IKEBRN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000008766004 557170953 /nfs/dbraw/zinc/17/09/53/557170953.db2.gz SBRMDVPGUCOEJU-ZDLGFXPLSA-N 0 0 433.291 6.284 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3cccc(I)c3)c2C)cc1 ZINC000408758206 557171968 /nfs/dbraw/zinc/17/19/68/557171968.db2.gz HMMSCEMVEWVUSZ-UCQKPKSFSA-N 0 0 428.317 6.012 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)S2)cc1 ZINC000408761237 557175583 /nfs/dbraw/zinc/17/55/83/557175583.db2.gz DFBKQCQXUUKSKP-HAHDFKILSA-N 0 0 432.520 5.859 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000408761789 557175927 /nfs/dbraw/zinc/17/59/27/557175927.db2.gz BNYROLXUEPTYQK-WQRHYEAKSA-N 0 0 425.853 5.400 40 30 IKEBRN O=C(Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1)c1ccccc1 ZINC000408759857 557178057 /nfs/dbraw/zinc/17/80/57/557178057.db2.gz MYMSYNHBPXROBH-ZHZULCJRSA-N 0 0 434.904 5.451 40 30 IKEBRN CCCCCCCOc1ccccc1/C=C1\N=C(c2cccc(Br)c2)OC1=O ZINC000408764491 557182470 /nfs/dbraw/zinc/18/24/70/557182470.db2.gz UBSDSHGALZPIOS-SILNSSARSA-N 0 0 442.353 6.143 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408763120 557183107 /nfs/dbraw/zinc/18/31/07/557183107.db2.gz HOHMWOPQUINQDC-UUYOSTAYSA-N 0 0 435.980 6.256 40 30 IKEBRN Cc1cc(/C=N\c2ccc(I)cc2C)c(C)n1-c1cccc(Cl)c1 ZINC000408763080 557183127 /nfs/dbraw/zinc/18/31/27/557183127.db2.gz HIPNBBODZXNOFA-FMCGGJTJSA-N 0 0 448.735 6.411 40 30 IKEBRN COc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OCc1ccccc1 ZINC000408765150 557184963 /nfs/dbraw/zinc/18/49/63/557184963.db2.gz ZUCHJWDXOVADFV-HAHDFKILSA-N 0 0 430.529 5.474 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)S2)cc1 ZINC000408765628 557188347 /nfs/dbraw/zinc/18/83/47/557188347.db2.gz MSPDEDQCSIWDIT-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN O=C1/C(=C/c2ccc(O)c(Cl)c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000408767487 557189416 /nfs/dbraw/zinc/18/94/16/557189416.db2.gz LGNJXOFSTRGEKY-PZFZXBCHSA-N 0 0 434.948 5.718 40 30 IKEBRN Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1ccc(I)cc1 ZINC000408767847 557190053 /nfs/dbraw/zinc/19/00/53/557190053.db2.gz PYBYOGMIBQHXLZ-XKZIYDEJSA-N 0 0 430.289 5.249 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)n1C1CCCC1 ZINC000408773709 557196535 /nfs/dbraw/zinc/19/65/35/557196535.db2.gz SFZYRCJTVLPYJY-ZEHKLFRWSA-N 0 0 441.600 7.029 40 30 IKEBRN Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408775701 557197933 /nfs/dbraw/zinc/19/79/33/557197933.db2.gz UIJRRHIWTNFKBV-UUYOSTAYSA-N 0 0 430.289 5.463 40 30 IKEBRN COc1ccc2[nH]c(-c3ccccc3)c(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2c1 ZINC000408772945 557198599 /nfs/dbraw/zinc/19/85/99/557198599.db2.gz ODJALQPUHZFMMJ-QRVIBDJDSA-N 0 0 431.408 5.106 40 30 IKEBRN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc(Cl)cc1 ZINC000408779046 557201140 /nfs/dbraw/zinc/20/11/40/557201140.db2.gz PSRAKBWCUOQUJH-FDAWAROLSA-N 0 0 443.034 7.966 40 30 IKEBRN CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000408784359 557207560 /nfs/dbraw/zinc/20/75/60/557207560.db2.gz BDFGGWSJDWWYRP-CEUNXORHSA-N 0 0 445.632 6.154 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)cc2)cc1 ZINC000408784655 557208025 /nfs/dbraw/zinc/20/80/25/557208025.db2.gz VSDWKQHLYPTJPX-WPWMEQJKSA-N 0 0 441.487 6.554 40 30 IKEBRN COc1ccc(C(=O)/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)cc1 ZINC000038203064 557208854 /nfs/dbraw/zinc/20/88/54/557208854.db2.gz WTLIIYHQOYKPOP-JXMROGBWSA-N 0 0 428.238 5.522 40 30 IKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1ccc(I)cc1 ZINC000408787056 557208935 /nfs/dbraw/zinc/20/89/35/557208935.db2.gz QDXQHFLNXKHPFZ-FSJBWODESA-N 0 0 432.280 5.897 40 30 IKEBRN Cc1cc(/C=N\c2ccccc2F)c(C)n1-c1ccc(I)c(C)c1 ZINC000408789516 557210088 /nfs/dbraw/zinc/21/00/88/557210088.db2.gz JUWLEYFPOIRUCP-FMCGGJTJSA-N 0 0 432.280 5.897 40 30 IKEBRN C#CCn1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 ZINC000408801028 557217390 /nfs/dbraw/zinc/21/73/90/557217390.db2.gz RGURHEDPMWHNAX-QRQIAZFYSA-N 0 0 443.616 6.028 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)NC1CCCCC1 ZINC000408806444 557218401 /nfs/dbraw/zinc/21/84/01/557218401.db2.gz NDJQWLVIAJELHH-WKIKZPBSSA-N 0 0 438.877 5.937 40 30 IKEBRN Clc1ccc(Sc2oc(/C=N\c3ccc4ccccc4c3)cc2Br)cc1 ZINC000408806728 557218417 /nfs/dbraw/zinc/21/84/17/557218417.db2.gz BCXQLEISXAMEIJ-CFRMEGHHSA-N 0 0 442.765 7.751 40 30 IKEBRN CCOc1ccc(Cl)cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000408807434 557218639 /nfs/dbraw/zinc/21/86/39/557218639.db2.gz CIOXJXMWHLDAEN-SANMLTNESA-N 0 0 431.963 7.201 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)S2)c1 ZINC000408808219 557220024 /nfs/dbraw/zinc/22/00/24/557220024.db2.gz FBBDYWXMDICVCI-QFEZKATASA-N 0 0 448.551 5.761 40 30 IKEBRN O=C(COc1ccc(/C=N\c2cccc(Br)c2)cc1)Nc1cccc(Cl)c1 ZINC000408810786 557221523 /nfs/dbraw/zinc/22/15/23/557221523.db2.gz PZWDWYXUWIAYES-CFRMEGHHSA-N 0 0 443.728 5.871 40 30 IKEBRN O=C1C[C@H](c2ccccc2)CC2=C1C(c1ccco1)C1=C(C[C@@H](c3ccccc3)CC1=O)N2 ZINC000022500520 557224281 /nfs/dbraw/zinc/22/42/81/557224281.db2.gz ZOMAHBYSHWQBDZ-NHCUHLMSSA-N 0 0 435.523 5.768 40 30 IKEBRN C#CCOc1ccc2ccccc2c1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000408814923 557227170 /nfs/dbraw/zinc/22/71/70/557227170.db2.gz GWIKFHNNZLYBQU-PMERELPUSA-N 0 0 429.519 6.678 40 30 IKEBRN C#CCOc1ccc2ccccc2c1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CCC2 ZINC000408814924 557227366 /nfs/dbraw/zinc/22/73/66/557227366.db2.gz GWIKFHNNZLYBQU-SSEXGKCCSA-N 0 0 429.519 6.678 40 30 IKEBRN O=C(Nc1cc(/N=C/c2ccc([N+](=O)[O-])cc2)c(Cl)cc1Cl)c1ccc(Cl)cc1 ZINC000003075024 557227828 /nfs/dbraw/zinc/22/78/28/557227828.db2.gz LFVREQACIVDIDP-BHGWPJFGSA-N 0 0 448.693 6.558 40 30 IKEBRN C=CCn1c(C)c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc21 ZINC000111507896 557228696 /nfs/dbraw/zinc/22/86/96/557228696.db2.gz JHSXFXKTUHZSSJ-HMAPJEAMSA-N 0 0 445.544 5.119 40 30 IKEBRN N#CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000097949890 557230335 /nfs/dbraw/zinc/23/03/35/557230335.db2.gz QXLCIRIVPLDAGS-UHFFFAOYSA-N 0 0 445.072 5.519 40 30 IKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1Cl ZINC000408816990 557230770 /nfs/dbraw/zinc/23/07/70/557230770.db2.gz VCNVLJFKBKJKPW-MXAYSNPKSA-N 0 0 429.303 5.770 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408818057 557231050 /nfs/dbraw/zinc/23/10/50/557231050.db2.gz ZDXMIWBOEIPMFF-UQQQWYQISA-N 0 0 441.552 6.543 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(Nc2ccc(Cl)cc2C)NC1=O ZINC000408819762 557233321 /nfs/dbraw/zinc/23/33/21/557233321.db2.gz RSRJHQNELLBHQW-UHFFFAOYSA-N 0 0 433.940 5.577 40 30 IKEBRN N#Cc1c(/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000111916096 557235920 /nfs/dbraw/zinc/23/59/20/557235920.db2.gz CBFQKOVDLZYKFX-JFLMPSFJSA-N 0 0 427.847 6.797 40 30 IKEBRN CCCCCOc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000011992242 557237943 /nfs/dbraw/zinc/23/79/43/557237943.db2.gz GLGQIVFCWILWEV-ZMOGYAJESA-N 0 0 434.392 7.132 40 30 IKEBRN COc1cccc2c(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c(-c3ccccc3)[nH]c21 ZINC000408826587 557242880 /nfs/dbraw/zinc/24/28/80/557242880.db2.gz HIBVGUWJBNALME-PXLXIMEGSA-N 0 0 439.540 6.044 40 30 IKEBRN CCCCCCCCCC(=NNc1ccc([N+](=O)[O-])cc1)c1ccc(OC)c(OC)c1 ZINC000100166341 557245536 /nfs/dbraw/zinc/24/55/36/557245536.db2.gz GJFPSZBVNADEQP-XTCLZLMSSA-N 0 0 427.545 6.569 40 30 IKEBRN Cc1c(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc2n1C ZINC000408831374 557247546 /nfs/dbraw/zinc/24/75/46/557247546.db2.gz ZNCQXVVTARBBCL-HXNPFYCNSA-N 0 0 429.589 6.423 40 30 IKEBRN Cc1ccc(S(=O)(=O)/N=C(/N=C2C=C(C(C)C)C(=O)C(C(C)C)=C2)c2ccccc2)cc1 ZINC000026787092 557248890 /nfs/dbraw/zinc/24/88/90/557248890.db2.gz IMRKYHVUHWGRED-BYCLXTJYSA-N 0 0 448.588 5.319 40 30 IKEBRN CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(O)c1 ZINC000100221836 557248972 /nfs/dbraw/zinc/24/89/72/557248972.db2.gz UOPLVZLFMIOCSJ-PKAZHMFMSA-N 0 0 447.604 6.182 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N/c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000100233456 557250599 /nfs/dbraw/zinc/25/05/99/557250599.db2.gz ZBFJZKMDAYPMIR-CFEZCKOSSA-N 0 0 428.557 6.280 40 30 IKEBRN CCCCCCCCCCOc1ccc(NC(=O)N(C)CCOc2ccccc2)cc1 ZINC000100284932 557256573 /nfs/dbraw/zinc/25/65/73/557256573.db2.gz WACPCPBDAKZAPE-UHFFFAOYSA-N 0 0 426.601 6.749 40 30 IKEBRN CCCCCCCC[C@H]1S[C@H]1CCCCCCCC(=O)OCCOCCOCC ZINC000100300081 557257112 /nfs/dbraw/zinc/25/71/12/557257112.db2.gz MMBZAEHFMQEQSE-PKTZIBPZSA-N 0 0 430.695 6.548 40 30 IKEBRN CCCCCCCCC1(CCCCCCCC)c2cc(C=O)ccc2-c2ccc(C=O)cc21 ZINC000100299163 557257141 /nfs/dbraw/zinc/25/71/41/557257141.db2.gz ZVQJNVBHJBLVSX-UHFFFAOYSA-N 0 0 446.675 9.079 40 30 IKEBRN CCCCCCCCCCC([C@@H]1CCC[C@H]2CCCC[C@@H]21)[C@H]1CCC[C@@H]2CCCC[C@@H]21 ZINC000100301680 557257154 /nfs/dbraw/zinc/25/71/54/557257154.db2.gz BMIYKWRBLFKRLB-IGBXICCASA-N 0 0 428.789 10.346 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=O)Nc1ccc(Br)cc1 ZINC000100309884 557257418 /nfs/dbraw/zinc/25/74/18/557257418.db2.gz ADPVZPFBFNBZSH-UHFFFAOYSA-N 0 0 439.482 8.052 40 30 IKEBRN CCOCCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2C)S/C1=N\c1ccccc1 ZINC000100328503 557257754 /nfs/dbraw/zinc/25/77/54/557257754.db2.gz JTKJPGWNQOYENL-GJHWIIEUSA-N 0 0 449.620 5.626 40 30 IKEBRN COc1ccc(/N=C2/S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccccc2)cc1 ZINC000100346992 557258391 /nfs/dbraw/zinc/25/83/91/557258391.db2.gz WZZSPOUHQOABOC-NEHLPSIOSA-N 0 0 431.473 5.412 40 30 IKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H]2c1ccccc1 ZINC000100421499 557260436 /nfs/dbraw/zinc/26/04/36/557260436.db2.gz 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CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc([N+](=O)[O-])o1)Nc1ccccc1-2 ZINC000101007428 557281095 /nfs/dbraw/zinc/28/10/95/557281095.db2.gz SLECBSBYIZHXMC-IBGZPJMESA-N 0 0 441.513 5.605 40 30 IKEBRN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)c(OC)c1 ZINC000014083651 557299602 /nfs/dbraw/zinc/29/96/02/557299602.db2.gz IZHIIJDVRLJQEE-UHFFFAOYSA-N 0 0 436.364 5.747 40 30 IKEBRN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(OC)c(OC)c1 ZINC000014083646 557299637 /nfs/dbraw/zinc/29/96/37/557299637.db2.gz UNMBHVOOHWFYPA-UHFFFAOYSA-N 0 0 446.370 5.203 40 30 IKEBRN CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O ZINC000102241475 557300578 /nfs/dbraw/zinc/30/05/78/557300578.db2.gz OXIDXMADHDNRSN-UHFFFAOYSA-N 0 0 437.588 5.765 40 30 IKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccccc1OCc1cccc2ccccc21 ZINC000113833470 557307240 /nfs/dbraw/zinc/30/72/40/557307240.db2.gz MQBHGHNCGWBLTA-KOEQRZSOSA-N 0 0 436.536 6.310 40 30 IKEBRN N#Cc1ccccc1COc1ccc(/C=C2/SC(=S)N(C3CCCCC3)C2=O)cc1 ZINC000113833493 557307275 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CCCCCCCCCCCCCCCCSC1=C(C)C(=O)C(OC)=C(OC)C1=O ZINC000104186849 557321575 /nfs/dbraw/zinc/32/15/75/557321575.db2.gz PTFWZTKVHBGPHF-UHFFFAOYSA-N 0 0 438.674 7.131 40 30 IKEBRN COc1ccc(-c2sc(/N=C\c3ccc(N(C)CCC#N)cc3)c(C#N)c2C)cc1OC ZINC000104168615 557321584 /nfs/dbraw/zinc/32/15/84/557321584.db2.gz UZBOQGXUHIEDSC-NTFVMDSBSA-N 0 0 444.560 5.713 40 30 IKEBRN CCCCCCCCCCCCOP(OCC)OCCCCCCCCCCCC ZINC000104162201 557321623 /nfs/dbraw/zinc/32/16/23/557321623.db2.gz DONPOKHKJGMVBM-UHFFFAOYSA-N 0 0 446.697 10.125 40 30 IKEBRN COc1ccc(-c2sc(/N=C\c3ccc(-c4ccccc4)cc3)c(C#N)c2C)cc1OC ZINC000104168807 557321656 /nfs/dbraw/zinc/32/16/56/557321656.db2.gz DPVYRXNZNFJFRP-RHANQZHGSA-N 0 0 438.552 7.030 40 30 IKEBRN CCCCCCCCCCCCCCCCCCNC(=O)Nc1cc(C(C)C)ccc1C ZINC000104163744 557321690 /nfs/dbraw/zinc/32/16/90/557321690.db2.gz PAPMYSADPZWARE-UHFFFAOYSA-N 0 0 444.748 9.501 40 30 IKEBRN CCCCCCCCCCCCCCCC(=O)OC/C=C/COC(=O)c1ccccc1 ZINC000104192849 557322010 /nfs/dbraw/zinc/32/20/10/557322010.db2.gz 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ZINC000104348834 557325474 /nfs/dbraw/zinc/32/54/74/557325474.db2.gz GIQHPIBOAJAWQN-QYQHSDTDSA-N 0 0 433.706 6.975 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1OCC ZINC000104348827 557325585 /nfs/dbraw/zinc/32/55/85/557325585.db2.gz DAKUWECMAUHDSK-WEMUOSSPSA-N 0 0 447.733 7.365 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/C(C)=C\c1ccccc1 ZINC000104376679 557325984 /nfs/dbraw/zinc/32/59/84/557325984.db2.gz AVFQNOCRESGCFT-JUVNSSFCSA-N 0 0 443.745 8.021 40 30 IKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1cccc(C)c1 ZINC000104380085 557326005 /nfs/dbraw/zinc/32/60/05/557326005.db2.gz JWEMYCAGTVOBFN-OLFWJLLRSA-N 0 0 445.761 8.055 40 30 IKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1ccc(OCC)c(OCC)c1 ZINC000104380359 557326160 /nfs/dbraw/zinc/32/61/60/557326160.db2.gz KWOGBSJMMJZMCI-LHLOQNFPSA-N 0 0 435.678 6.203 40 30 IKEBRN CCCCCCCCCCCCOC[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 ZINC000104396198 557326386 /nfs/dbraw/zinc/32/63/86/557326386.db2.gz WHLBCNRCXJZXMF-QMCAAQAGSA-N 0 0 428.610 5.320 40 30 IKEBRN Cn1c(N)c(-c2nc3ccccc3s2)s/c1=N/C(=N/c1ccccc1)c1ccccc1 ZINC000102478842 557327853 /nfs/dbraw/zinc/32/78/53/557327853.db2.gz HPYPDSBZLJMRTH-QJGGEWOVSA-N 0 0 441.585 5.625 40 30 IKEBRN COc1ccc2ccccc2c1C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O ZINC000105664128 557331687 /nfs/dbraw/zinc/33/16/87/557331687.db2.gz JGLJIWGBLAWCLJ-AREMUKBSSA-N 0 0 448.559 5.708 40 30 IKEBRN CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c1 ZINC000013503496 557338406 /nfs/dbraw/zinc/33/84/06/557338406.db2.gz VGKGVYBQQWUVGI-UHFFFAOYSA-N 0 0 435.549 5.252 40 30 IKEBRN COCCCN1C(=O)/C(=C/c2ccc(Cl)cc2)S/C1=N/c1ccc2c(c1)CCC2 ZINC000033656551 557341715 /nfs/dbraw/zinc/34/17/15/557341715.db2.gz RYMBHTOVCQXSJZ-SXZIKPQKSA-N 0 0 426.969 5.469 40 30 IKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC[C@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@@H]21 ZINC000045069004 557352812 /nfs/dbraw/zinc/35/28/12/557352812.db2.gz ZJUABQDERHSYQM-LROMGURASA-N 0 0 440.605 5.634 40 30 IKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@]3(C)CC[C@@H]21 ZINC000034107145 557399264 /nfs/dbraw/zinc/39/92/64/557399264.db2.gz SZBWKZHLROZHJQ-VQDNAHPTSA-N 0 0 432.560 5.831 40 30 IKEBRN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O ZINC000034112427 557400436 /nfs/dbraw/zinc/40/04/36/557400436.db2.gz GAKVNINHIOJQFK-JJGLNVDDSA-N 0 0 442.477 6.410 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H](OCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914832 557405452 /nfs/dbraw/zinc/40/54/52/557405452.db2.gz TUEREPUZRGDETH-QSDGFMTPSA-N 0 0 436.592 5.645 40 30 IKEBRN CC(=O)O[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(C)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C/C(=N\O)[C@]12C ZINC000118922815 557406281 /nfs/dbraw/zinc/40/62/81/557406281.db2.gz LVLQUIZWMULUMY-ROBXSGDKSA-N 0 0 447.616 5.359 40 30 IKEBRN CCNC(=O)O/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@@H](OC(=O)NCC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118926872 557406874 /nfs/dbraw/zinc/40/68/74/557406874.db2.gz ODSCMQMBEHYDCG-RIWBMCERSA-N 0 0 445.604 5.166 40 30 IKEBRN CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@H](F)C[C@]12C ZINC000118933262 557407444 /nfs/dbraw/zinc/40/74/44/557407444.db2.gz JEEUJGVJTLVJQM-PMUYALBOSA-N 0 0 439.365 5.082 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(C)cc1 ZINC000014082398 557418924 /nfs/dbraw/zinc/41/89/24/557418924.db2.gz DJDRMUVFYOVGTG-UHFFFAOYSA-N 0 0 432.471 5.189 40 30 IKEBRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000014091493 557419229 /nfs/dbraw/zinc/41/92/29/557419229.db2.gz UZVNIAZFKNXIEN-UHFFFAOYSA-N 0 0 433.364 5.093 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000014126797 557421263 /nfs/dbraw/zinc/42/12/63/557421263.db2.gz DSGFAEHTULYXAZ-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc2ccccc21 ZINC000014133284 557421859 /nfs/dbraw/zinc/42/18/59/557421859.db2.gz VVRUEIAONZCXGB-UHFFFAOYSA-N 0 0 444.560 5.236 40 30 IKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1 ZINC000014134205 557422316 /nfs/dbraw/zinc/42/23/16/557422316.db2.gz FKUCCPQPANIELI-UHFFFAOYSA-N 0 0 436.581 5.206 40 30 IKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000014133423 557422401 /nfs/dbraw/zinc/42/24/01/557422401.db2.gz FHBRZAQJYJZTCY-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000014133425 557422493 /nfs/dbraw/zinc/42/24/93/557422493.db2.gz ININXJIKJGMFQK-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN N#Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 ZINC000014152455 557423315 /nfs/dbraw/zinc/42/33/15/557423315.db2.gz RUBVSUBYXVAIGV-UHFFFAOYSA-N 0 0 448.857 5.418 40 30 IKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1C[C@@H](C)CC(=O)C1[C@H]2c1cc(F)cc(F)c1 ZINC000014163697 557424708 /nfs/dbraw/zinc/42/47/08/557424708.db2.gz QKFQRHGPTLWXNP-SFDCACGMSA-N 0 0 439.893 6.058 40 30 IKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1C[C@H](C)CC(=O)C1[C@@H]2c1cc(F)cc(F)c1 ZINC000014163700 557424803 /nfs/dbraw/zinc/42/48/03/557424803.db2.gz QKFQRHGPTLWXNP-MYODQAERSA-N 0 0 439.893 6.058 40 30 IKEBRN COc1ccc([C@@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 ZINC000014163664 557424807 /nfs/dbraw/zinc/42/48/07/557424807.db2.gz PMCSJVLUTVSTSD-SGANQWHYSA-N 0 0 429.520 5.144 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2C1 ZINC000014273284 557432767 /nfs/dbraw/zinc/43/27/67/557432767.db2.gz UQJPUUNWCIKUBC-FQEVSTJZSA-N 0 0 444.600 6.602 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Br)cc3)sc2C1 ZINC000014273274 557432795 /nfs/dbraw/zinc/43/27/95/557432795.db2.gz OLXMMWPRXUHHNJ-CYBMUJFWSA-N 0 0 447.398 5.551 40 30 IKEBRN COc1c(Br)c2ccccc2cc1C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000014273255 557432820 /nfs/dbraw/zinc/43/28/20/557432820.db2.gz IWIQAQARZZJXTO-UHFFFAOYSA-N 0 0 441.350 5.675 40 30 IKEBRN Brc1ccc(COc2cccc(C=NN=c3[nH]c4ccccc4s3)c2)cc1 ZINC000014408423 557443995 /nfs/dbraw/zinc/44/39/95/557443995.db2.gz UZIYNKIVXDCNLV-YDZHTSKRSA-N 0 0 438.350 6.084 40 30 IKEBRN Cc1c(Br)cc(C=NNc2nc3ccccc3s2)cc1Br ZINC000014408403 557444063 /nfs/dbraw/zinc/44/40/63/557444063.db2.gz BHTFTSWDQMGSPU-QGMBQPNBSA-N 0 0 425.149 5.576 40 30 IKEBRN C=CCn1c(C)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 ZINC000014408527 557444083 /nfs/dbraw/zinc/44/40/83/557444083.db2.gz FRYMHOROQKGCEO-UZWMFBFFSA-N 0 0 441.534 7.685 40 30 IKEBRN Brc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1 ZINC000014408430 557444103 /nfs/dbraw/zinc/44/41/03/557444103.db2.gz OUWAGWDEDUGJFM-YDZHTSKRSA-N 0 0 438.350 6.084 40 30 IKEBRN Cc1ccc(C(=O)Oc2ccc([C@@H]3Sc4ccccc4NC4=C3C(=O)CCC4)cc2)cc1 ZINC000014671924 557449282 /nfs/dbraw/zinc/44/92/82/557449282.db2.gz OTFFSGCLWOZGJS-SANMLTNESA-N 0 0 441.552 6.480 40 30 IKEBRN COc1cc(Br)c(Br)c(/C=N/c2cccc3ccccc32)c1O ZINC000016194684 557470878 /nfs/dbraw/zinc/47/08/78/557470878.db2.gz SVEMOPDVUBKINV-UFFVCSGVSA-N 0 0 435.115 5.830 40 30 IKEBRN Cc1[nH]nc2c1C1=C(C(=O)[C@@H](C(C)(C)C)C[C@@H]1C(C)(C)C)[C@H](c1ccc(N(C)C)cc1)N2 ZINC000016265946 557471413 /nfs/dbraw/zinc/47/14/13/557471413.db2.gz JVUXTMQBVQQAIR-YDHSSHFGSA-N 0 0 434.628 6.002 40 30 IKEBRN CCCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)S/C1=N\c1ccccc1 ZINC000223497142 557479556 /nfs/dbraw/zinc/47/95/56/557479556.db2.gz FHPBHLPESFAQSA-KKOPTWAASA-N 0 0 445.632 6.641 40 30 IKEBRN CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)S/C1=N\c1ccccc1 ZINC000223497065 557479602 /nfs/dbraw/zinc/47/96/02/557479602.db2.gz RUBFAVPGNPBNRC-KHHYFDFNSA-N 0 0 431.605 6.251 40 30 IKEBRN CCN1c2ccc(/C=C3\S/C(=N\c4cccc(Cl)c4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223533729 557482775 /nfs/dbraw/zinc/48/27/75/557482775.db2.gz OXHRQXFVUIROFH-RANIVTSPSA-N 0 0 440.012 6.344 40 30 IKEBRN CCOc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000017099622 557483224 /nfs/dbraw/zinc/48/32/24/557483224.db2.gz ZMJPANBRTQPAAO-CCLHPLFOSA-N 0 0 435.527 5.851 40 30 IKEBRN COc1ccc([C@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000017099613 557483310 /nfs/dbraw/zinc/48/33/10/557483310.db2.gz ITRPBVPFKBZSGH-HRFSGMKKSA-N 0 0 435.527 5.769 40 30 IKEBRN CCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)S/C1=N\c1ccccc1 ZINC000223570169 557487440 /nfs/dbraw/zinc/48/74/40/557487440.db2.gz RRMWORPIGHMGPE-FKOVGQMLSA-N 0 0 433.621 6.341 40 30 IKEBRN CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccccc4C)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223579467 557488393 /nfs/dbraw/zinc/48/83/93/557488393.db2.gz ZNNCPBICYJNVPU-PVFDWLMNSA-N 0 0 433.621 6.307 40 30 IKEBRN CCN1c2cc(C)c(/C=C3\S/C(=N\c4cccc(C)c4C)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223579536 557488404 /nfs/dbraw/zinc/48/84/04/557488404.db2.gz ZDELQZKPFHNFHE-SMNNTEATSA-N 0 0 447.648 6.616 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000118916156 557493514 /nfs/dbraw/zinc/49/35/14/557493514.db2.gz ANTLLZHQDMIOLB-GBVJIBPHSA-N 0 0 447.446 6.959 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000118916311 557493794 /nfs/dbraw/zinc/49/37/94/557493794.db2.gz YGBQOUNQDOEMKJ-RIVJUHDBSA-N 0 0 445.430 6.880 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]2O)cc1 ZINC000118935575 557494181 /nfs/dbraw/zinc/49/41/81/557494181.db2.gz BKOGUJNRCSWUNA-CWILYBBRSA-N 0 0 446.653 5.473 40 30 IKEBRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(C)=O)[C@]12C ZINC000118923925 557494522 /nfs/dbraw/zinc/49/45/22/557494522.db2.gz SUISKBUAOOSHAW-CLHYYREUSA-N 0 0 444.612 5.265 40 30 IKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)[C@H]4C/C(=N/O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118925628 557494666 /nfs/dbraw/zinc/49/46/66/557494666.db2.gz MXIKNOBYVNLDDR-YEJVMYSHSA-N 0 0 430.677 7.378 40 30 IKEBRN CCCCOc1ccc(/C=N\c2ccc(/N=C\c3ccc(OCCCC)cc3)cc2)cc1 ZINC000017886106 557495103 /nfs/dbraw/zinc/49/51/03/557495103.db2.gz JGPJVRJLTHAEQE-DHQAUHHZSA-N 0 0 428.576 7.546 40 30 IKEBRN COc1ccccc1-n1c(=S)ss/c1=N\C(=N/c1ccccc1)c1ccccc1 ZINC000018069414 557496133 /nfs/dbraw/zinc/49/61/33/557496133.db2.gz WZPNTZCQCFDFLM-XFUYORNGSA-N 0 0 435.599 6.018 40 30 IKEBRN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)nc2c1 ZINC000019648626 557506058 /nfs/dbraw/zinc/50/60/58/557506058.db2.gz ZEJJHWKGOBTBNJ-IXORVSQSSA-N 0 0 449.348 7.227 40 30 IKEBRN CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000019898342 557509868 /nfs/dbraw/zinc/50/98/68/557509868.db2.gz LZQCZJVAWMCIKN-UHFFFAOYSA-N 0 0 437.580 5.457 40 30 IKEBRN Oc1ccc(Br)cc1/C=N/c1ccc(-c2nc3cc(Cl)ccc3o2)cc1 ZINC000003059619 557522996 /nfs/dbraw/zinc/52/29/96/557522996.db2.gz PHUXBDJBILBJKB-FOKLQQMPSA-N 0 0 427.685 6.367 40 30 IKEBRN O=[N+]([O-])c1cccc(/C=N/NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c1 ZINC000003201812 557523539 /nfs/dbraw/zinc/52/35/39/557523539.db2.gz OVKJBEGYDFQFGT-BUVRLJJBSA-N 0 0 431.388 5.824 40 30 IKEBRN O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1[C@H]1CCCc2ccccc21 ZINC000003342889 557525280 /nfs/dbraw/zinc/52/52/80/557525280.db2.gz TWKSTXVZGLYRBY-RYVZHZQHSA-N 0 0 444.987 7.022 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915125 557544008 /nfs/dbraw/zinc/54/40/08/557544008.db2.gz AXNNSHMUJUSTKY-POFSMYHLSA-N 0 0 434.620 5.744 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915128 557544209 /nfs/dbraw/zinc/54/42/09/557544209.db2.gz AXNNSHMUJUSTKY-XFVRFSQZSA-N 0 0 434.620 5.744 40 30 IKEBRN C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000118936501 557544248 /nfs/dbraw/zinc/54/42/48/557544248.db2.gz MQYXUWHLBZFQQO-FEVKIXOPSA-N 0 0 426.729 8.025 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914960 557544527 /nfs/dbraw/zinc/54/45/27/557544527.db2.gz AXNNSHMUJUSTKY-QSGQTCIVSA-N 0 0 434.620 5.744 40 30 IKEBRN Cc1cccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)c1 ZINC000028219417 557673239 /nfs/dbraw/zinc/67/32/39/557673239.db2.gz NJTNNPJVDPDVKP-MZJWZYIUSA-N 0 0 447.991 6.862 40 30 IKEBRN N#CC1(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4Cl)C3)cc2)CC1 ZINC000225907524 557790448 /nfs/dbraw/zinc/79/04/48/557790448.db2.gz JCWYTDPPMGLNBY-KRWDZBQOSA-N 0 0 428.363 5.399 40 30 IKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1Cl ZINC000033377357 557807503 /nfs/dbraw/zinc/80/75/03/557807503.db2.gz IZMGLWCEYKMBCG-VULFUBBASA-N 0 0 449.963 6.497 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)ccc1C ZINC000033618593 557808568 /nfs/dbraw/zinc/80/85/68/557808568.db2.gz PQVSWPBQFGSBKC-AJGXWLHTSA-N 0 0 442.584 6.159 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(CCOC)C1=O ZINC000033624141 557809416 /nfs/dbraw/zinc/80/94/16/557809416.db2.gz GLMWMVMHVCLXCJ-DZNDYGJHSA-N 0 0 442.540 5.102 40 30 IKEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000034354379 557811349 /nfs/dbraw/zinc/81/13/49/557811349.db2.gz VEEBKUQFPONGGR-NGYRYOBISA-N 0 0 444.700 7.171 40 30 IKEBRN CC(=O)O[C@@H]1C=C2C(=O)C[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000034609595 557811611 /nfs/dbraw/zinc/81/16/11/557811611.db2.gz HTZDJVPKUOXQMG-XGRWYXQASA-N 0 0 442.684 7.139 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)SC1=S ZINC000058822017 557812629 /nfs/dbraw/zinc/81/26/29/557812629.db2.gz ZGUKBPJMUDVKIC-LDADJPATSA-N 0 0 431.966 5.315 40 30 IKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccccc1Cl ZINC000059034387 557813590 /nfs/dbraw/zinc/81/35/90/557813590.db2.gz REXOCEMJDCCSSH-AFUMVMLFSA-N 0 0 437.952 6.373 40 30 IKEBRN CCc1ccc(/N=C2\S/C(=C\c3ccccc3Cl)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059104884 557814312 /nfs/dbraw/zinc/81/43/12/557814312.db2.gz AQBDILCMMRMSCZ-NMRWETQTSA-N 0 0 447.003 7.273 40 30 IKEBRN N#Cc1ccccc1COc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1 ZINC000059105711 557814518 /nfs/dbraw/zinc/81/45/18/557814518.db2.gz FEFUJULDZLHDTF-LPYMAVHISA-N 0 0 429.476 5.168 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000059105694 557814620 /nfs/dbraw/zinc/81/46/20/557814620.db2.gz ZHTXANYGQNAAHG-FYJGNVAPSA-N 0 0 449.463 5.205 40 30 IKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccccc3)c(Br)c2)C(=O)N1CC ZINC000059105186 557814639 /nfs/dbraw/zinc/81/46/39/557814639.db2.gz JEJCMCZMRJCVID-QFGKFHJGSA-N 0 0 445.382 5.340 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000059105836 557814763 /nfs/dbraw/zinc/81/47/63/557814763.db2.gz GZASRQOAILNPRB-FYJGNVAPSA-N 0 0 449.463 5.205 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000058884129 557814769 /nfs/dbraw/zinc/81/47/69/557814769.db2.gz NWUZMMIKVPHCJT-OTZYPNAKSA-N 0 0 448.910 5.015 40 30 IKEBRN Cc1cccc(Cn2cc(/C=C3\S/C(=N/c4ccc(F)cc4)NC3=O)c3ccccc32)c1 ZINC000059105822 557814786 /nfs/dbraw/zinc/81/47/86/557814786.db2.gz MDBDFCYVTJLESS-OYKKKHCWSA-N 0 0 441.531 6.029 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137121 557815850 /nfs/dbraw/zinc/81/58/50/557815850.db2.gz WHHYTHNRRUMFSZ-NHDPSOOVSA-N 0 0 439.943 6.087 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137105 557815912 /nfs/dbraw/zinc/81/59/12/557815912.db2.gz WQFBGJYVTLUCBF-JAIQZWGSSA-N 0 0 425.916 5.778 40 30 IKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1F ZINC000059194429 557818225 /nfs/dbraw/zinc/81/82/25/557818225.db2.gz SPWFUDRLHHVJCE-AFUMVMLFSA-N 0 0 435.480 5.499 40 30 IKEBRN O=C(Oc1ccc(C=NNc2nc3ccccc3s2)cc1)c1ccc(Cl)c(Cl)c1 ZINC000059194441 557818232 /nfs/dbraw/zinc/81/82/32/557818232.db2.gz ZJNZJUVYELLIQS-WYMPLXKRSA-N 0 0 442.327 6.268 40 30 IKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)S2)c(C)c1 ZINC000059247792 557818939 /nfs/dbraw/zinc/81/89/39/557818939.db2.gz KUXKWDDZDNSLDX-BOPFTXTBSA-N 0 0 446.370 5.151 40 30 IKEBRN Clc1cc(/N=C/c2cccn2-c2ccc(Br)cc2)ccc1Br ZINC000059248886 557819107 /nfs/dbraw/zinc/81/91/07/557819107.db2.gz GJIJGMQTYSMJGO-SRZZPIQSSA-N 0 0 438.550 6.406 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1cn(Cc2ccccc2)c2ccccc12 ZINC000059106002 557820279 /nfs/dbraw/zinc/82/02/79/557820279.db2.gz ZNGGZFSGODQMSW-OEAKJJBVSA-N 0 0 427.504 5.720 40 30 IKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)S1 ZINC000059459390 557821164 /nfs/dbraw/zinc/82/11/64/557821164.db2.gz XJBQCMMZLVEPGN-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN C(=N/C1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1)\c1ccc(OCc2ccccc2)cc1 ZINC000059461379 557821297 /nfs/dbraw/zinc/82/12/97/557821297.db2.gz FVGCLJVNGAORAS-CQMUHVERSA-N 0 0 428.513 6.456 40 30 IKEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)o1 ZINC000059459447 557821325 /nfs/dbraw/zinc/82/13/25/557821325.db2.gz NISUCCGFDAZTIZ-MTJSOVHGSA-N 0 0 449.488 5.372 40 30 IKEBRN C(=N/C1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1)\c1ccccc1OCc1ccccc1 ZINC000059461384 557821543 /nfs/dbraw/zinc/82/15/43/557821543.db2.gz GQZQAMIOMRPPDC-PBGFEDEFSA-N 0 0 428.513 6.456 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463702 557821549 /nfs/dbraw/zinc/82/15/49/557821549.db2.gz VXMFAAQYUHKXSM-ZVHZXABRSA-N 0 0 444.472 6.353 40 30 IKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463693 557821555 /nfs/dbraw/zinc/82/15/55/557821555.db2.gz JZLBBFILKBSVHA-MFKUBSTISA-N 0 0 429.501 6.453 40 30 IKEBRN Cc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463711 557821601 /nfs/dbraw/zinc/82/16/01/557821601.db2.gz NCDPONHLPGEROE-AFUMVMLFSA-N 0 0 433.920 7.098 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463748 557821724 /nfs/dbraw/zinc/82/17/24/557821724.db2.gz FZYFIEUXHPSYEA-AFUMVMLFSA-N 0 0 433.464 6.284 40 30 IKEBRN COc1ccccc1/C=N/c1nc(-c2ccc(Cl)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000059463727 557821786 /nfs/dbraw/zinc/82/17/86/557821786.db2.gz NZGARXPZMFCRAY-AFUMVMLFSA-N 0 0 449.919 6.798 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccc(OC)cc2)cc1 ZINC000059464295 557821795 /nfs/dbraw/zinc/82/17/95/557821795.db2.gz VNTFWCDYYVVRPP-CVKSISIWSA-N 0 0 434.948 6.898 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463744 557821801 /nfs/dbraw/zinc/82/18/01/557821801.db2.gz TVTSMDVOHXTRBQ-AFUMVMLFSA-N 0 0 449.919 6.798 40 30 IKEBRN Clc1ccccc1COc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2[nH]1 ZINC000059417075 557822778 /nfs/dbraw/zinc/82/27/78/557822778.db2.gz KHUZKZFEAOBHKS-JFLMPSFJSA-N 0 0 426.907 6.395 40 30 IKEBRN O=C(Oc1ccc(C=NNc2nc3ccccc3[nH]2)cc1)c1ccc(Cl)cc1Cl ZINC000059417093 557822831 /nfs/dbraw/zinc/82/28/31/557822831.db2.gz GDGYJVGDIYATGK-WYMPLXKRSA-N 0 0 425.275 5.535 40 30 IKEBRN Cc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccccc4)NC3=O)o2)c(Br)c1 ZINC000059417891 557823020 /nfs/dbraw/zinc/82/30/20/557823020.db2.gz GPDAGVZDRUDMRF-XDHOZWIPSA-N 0 0 439.334 5.909 40 30 IKEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccccc1OCc1ccc(F)cc1 ZINC000059418048 557823050 /nfs/dbraw/zinc/82/30/50/557823050.db2.gz IUMNXYYKDVGRNB-FYJGNVAPSA-N 0 0 438.911 5.950 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2ccc(OC)c(OCc3ccc(Cl)cc3)c2)SC1=S ZINC000059418073 557823182 /nfs/dbraw/zinc/82/31/82/557823182.db2.gz SECQZROKJZAXPP-XDHOZWIPSA-N 0 0 431.966 5.315 40 30 IKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccc(C)c3)c2-c2ccccc2)cc1 ZINC000059426273 557823593 /nfs/dbraw/zinc/82/35/93/557823593.db2.gz BXKOIMIKWBRTFX-WEMUVCOSSA-N 0 0 426.563 8.179 40 30 IKEBRN CC(=O)OC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000059428058 557823857 /nfs/dbraw/zinc/82/38/57/557823857.db2.gz XOBSPUSJSCBDDR-NRFANRHFSA-N 0 0 442.471 5.112 40 30 IKEBRN COc1ccc(-c2c(C#N)c(/N=C/c3cc([N+](=O)[O-])ccc3C)oc2-c2ccccc2)cc1 ZINC000059433141 557823880 /nfs/dbraw/zinc/82/38/80/557823880.db2.gz WDJDPJCHKJVNEA-LQKURTRISA-N 0 0 437.455 6.461 40 30 IKEBRN CCCCCCOc1ccccc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000059484177 557825066 /nfs/dbraw/zinc/82/50/66/557825066.db2.gz ADRIBBYLRLXFQY-UHFFFAOYSA-N 0 0 449.635 6.619 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1cc([N+](=O)[O-])ccc1N1CCC(c2ccccc2)CC1 ZINC000059490093 557826314 /nfs/dbraw/zinc/82/63/14/557826314.db2.gz ZMPMDRGPGAVDSK-UHFFFAOYSA-N 0 0 438.483 5.441 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000059500683 557826469 /nfs/dbraw/zinc/82/64/69/557826469.db2.gz FIPHOQGTZZQYFH-VULFUBBASA-N 0 0 435.932 6.842 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000059500687 557826507 /nfs/dbraw/zinc/82/65/07/557826507.db2.gz FRFPQSGATOKXHX-VULFUBBASA-N 0 0 435.932 6.842 40 30 IKEBRN O=C(Oc1cccc(/C=N/c2ccc(Cl)cc2)c1)c1sc2ccccc2c1Cl ZINC000059503601 557826840 /nfs/dbraw/zinc/82/68/40/557826840.db2.gz GKJVIYAFIAKNPP-DHRITJCHSA-N 0 0 426.324 7.178 40 30 IKEBRN FC(F)(F)c1cccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1 ZINC000059514354 557826916 /nfs/dbraw/zinc/82/69/16/557826916.db2.gz DVRUPNGXYOCAKE-CVKSISIWSA-N 0 0 441.461 5.070 40 30 IKEBRN COC(=O)c1ccccc1/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 ZINC000059503602 557826920 /nfs/dbraw/zinc/82/69/20/557826920.db2.gz NDEKLORHPFVLGC-VULFUBBASA-N 0 0 449.915 6.311 40 30 IKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)ccc1OC ZINC000059516392 557827218 /nfs/dbraw/zinc/82/72/18/557827218.db2.gz LAVRRTWGZSMSSV-SRZZPIQSSA-N 0 0 432.343 5.426 40 30 IKEBRN CC(=O)Nc1ccc(/N=C2/c3ccccc3N(Cc3c(Cl)cccc3Cl)C2=O)cc1 ZINC000059520212 557827227 /nfs/dbraw/zinc/82/72/27/557827227.db2.gz VBUHCWOTNCVATP-QYQHSDTDSA-N 0 0 438.314 5.619 40 30 IKEBRN Fc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c(F)c1 ZINC000059678668 557828558 /nfs/dbraw/zinc/82/85/58/557828558.db2.gz OTPRPXNLKJGJLJ-LSFURLLWSA-N 0 0 428.685 6.876 40 30 IKEBRN O=C1/C(=C/c2c(Cl)cccc2Cl)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000096601172 557838482 /nfs/dbraw/zinc/83/84/82/557838482.db2.gz DZJPWZNHDUOBSF-UDGIJHFQSA-N 0 0 425.340 6.802 40 30 IKEBRN Cc1ccc(C(=O)CSc2nnc(COc3ccc(C#N)cc3)n2-c2ccccc2)cc1 ZINC000000887881 557851616 /nfs/dbraw/zinc/85/16/16/557851616.db2.gz FNDLUOVZNOEYAK-UHFFFAOYSA-N 0 0 440.528 5.001 40 30 IKEBRN C=CC(C)(C)c1cc([C@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(OC)cc1O ZINC000015121009 560228771 /nfs/dbraw/zinc/22/87/71/560228771.db2.gz UTHDGFYWNZCMEW-QGZVFWFLSA-N 0 0 438.520 5.143 40 30 biogenic,in-vitro IKEBRN CCCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C ZINC000008214558 562949166 /nfs/dbraw/zinc/94/91/66/562949166.db2.gz TXHUMRBWIWWBGW-GVGNIZHQSA-N 0 0 440.668 7.691 40 30 in-man IKEBRN COc1ccc2[nH]c(CN3CCCC[C@H]3c3csc(Nc4cc(C#N)ccn4)n3)cc2c1 ZINC000585293917 568632535 /nfs/dbraw/zinc/63/25/35/568632535.db2.gz BTOSFIFJWBBMJN-QFIPXVFZSA-N 0 0 444.564 5.370 40 30 IKEBRN Cn1cc(CN2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)c2cc(F)ccc21 ZINC000585294406 568632577 /nfs/dbraw/zinc/63/25/77/568632577.db2.gz DZHXVAYLCUYSJD-JOCHJYFZSA-N 0 0 446.555 5.511 40 30 IKEBRN CC(C)Cc1ccc(CN2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 ZINC000585294048 568632684 /nfs/dbraw/zinc/63/26/84/568632684.db2.gz DITPBXTWNOTEAK-NRFANRHFSA-N 0 0 437.638 6.141 40 30 IKEBRN CCOc1cc(/C=C2/C(C)=NN(c3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000001186125 568736047 /nfs/dbraw/zinc/73/60/47/568736047.db2.gz DYWJKEXIFYRURG-IWIPYMOSSA-N 0 0 437.499 5.342 40 30 IKEBRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1c(O)cc(C)c(Cl)c1C ZINC000003211238 568742950 /nfs/dbraw/zinc/74/29/50/568742950.db2.gz KQOVOCNLLSDGKG-KBKYJPHKSA-N 0 0 425.315 7.183 40 30 IKEBRN CCOc1cccc(/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1O ZINC000003202468 568742974 /nfs/dbraw/zinc/74/29/74/568742974.db2.gz TYHZVJXWDPTMHV-ZMOGYAJESA-N 0 0 437.293 6.112 40 30 IKEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3ccccc3Br)nc2c1 ZINC000001354423 568780673 /nfs/dbraw/zinc/78/06/73/568780673.db2.gz HLTZVSMFYDJZRP-UHFFFAOYSA-N 0 0 426.339 5.217 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccc4ccccc4c3)sc2C1 ZINC000032124575 568781413 /nfs/dbraw/zinc/78/14/13/568781413.db2.gz SNBVGCMWVLTGCW-SFHVURJKSA-N 0 0 434.630 6.655 40 30 IKEBRN C(=N/c1ccc(Oc2ccc(Oc3ccc(/N=C/c4ccco4)cc3)cc2)cc1)\c1ccco1 ZINC000001424067 568788201 /nfs/dbraw/zinc/78/82/01/568788201.db2.gz YROUPKMRUVUYTL-CZYCKNNWSA-N 0 0 448.478 7.958 40 30 IKEBRN CCCCCCCCCCCCCCCCCOC(=O)CC(Cl)=C(Cl)Cl ZINC000098006131 568794864 /nfs/dbraw/zinc/79/48/64/568794864.db2.gz SUUCVIQCMZOIGP-UHFFFAOYSA-N 0 0 427.884 8.677 40 30 IKEBRN C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)N1 ZINC000006232576 568806212 /nfs/dbraw/zinc/80/62/12/568806212.db2.gz OVYRVZAGYCMZGR-WMZHIEFXSA-N 0 0 428.985 5.703 40 30 IKEBRN C#CCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2cccc(C)c2)C1=O ZINC000009311710 568818416 /nfs/dbraw/zinc/81/84/16/568818416.db2.gz KHDQWVJXNZMYPA-UNOMPAQXSA-N 0 0 442.334 5.006 40 30 IKEBRN C=CCSc1nnc2c(n1)O[C@H](/C=C/c1ccco1)Nc1ccc(Br)cc1-2 ZINC000009601914 568819008 /nfs/dbraw/zinc/81/90/08/568819008.db2.gz YFMJWLZVLZWNCS-IQIBNGDESA-N 0 0 443.326 5.016 40 30 IKEBRN C=CCSc1nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2s1 ZINC000016322406 568829685 /nfs/dbraw/zinc/82/96/85/568829685.db2.gz WEOYDFUXPBNYNA-LLVKDONJSA-N 0 0 439.389 6.287 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(OC)c1 ZINC000016807921 568830447 /nfs/dbraw/zinc/83/04/47/568830447.db2.gz BIHWNIJHNCGQQX-UHFFFAOYSA-N 0 0 449.363 5.177 40 30 IKEBRN C=CCSc1nc2ccc(NCn3c4ccc([N+](=O)[O-])cc4sc3=S)cc2s1 ZINC000001573687 568834134 /nfs/dbraw/zinc/83/41/34/568834134.db2.gz TUDUPSLKSJIQOS-UHFFFAOYSA-N 0 0 446.604 6.298 40 30 IKEBRN Cc1ccc(C)c2c1[C@@](O)(C#Cc1ccccc1)c1ccccc1[C@]2(O)C#Cc1ccccc1 ZINC000001564302 568834196 /nfs/dbraw/zinc/83/41/96/568834196.db2.gz LIJDDZSESNXDAV-ROJLCIKYSA-N 0 0 440.542 5.192 40 30 IKEBRN C[C@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)Nc1ccccc1 ZINC000006177214 568850955 /nfs/dbraw/zinc/85/09/55/568850955.db2.gz SIJURMDYNFEJMW-IBGZPJMESA-N 0 0 435.552 6.407 40 30 IKEBRN C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccc(C)c(C)c2)S1(=O)=O ZINC000020063590 568855491 /nfs/dbraw/zinc/85/54/91/568855491.db2.gz MTYVTLYFRKLSPL-UHFFFAOYSA-N 0 0 444.556 5.037 40 30 IKEBRN C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cc(C)cc(C)c2)S1(=O)=O ZINC000020063589 568855576 /nfs/dbraw/zinc/85/55/76/568855576.db2.gz MOROOSWBVUBYPT-UHFFFAOYSA-N 0 0 444.556 5.037 40 30 IKEBRN Cc1ccc(/N=C2\SCC(C)(C)N2C(=O)/C=C/c2c(Cl)nc3sccn23)c(C)c1 ZINC000015979257 568861658 /nfs/dbraw/zinc/86/16/58/568861658.db2.gz LWTUKQQBTRGLFZ-VEOJBSCPSA-N 0 0 445.013 5.721 40 30 IKEBRN CCCCCCCCCCCCCCCCCC(=O)N1CCC(C2CCOCC2)CC1 ZINC000585681200 568875297 /nfs/dbraw/zinc/87/52/97/568875297.db2.gz DQDAIRAOQXECLY-UHFFFAOYSA-N 0 0 435.737 7.913 40 30 IKEBRN N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1COc1ccc(F)cc1 ZINC000223689220 568876477 /nfs/dbraw/zinc/87/64/77/568876477.db2.gz XGVGYSQBQASHNW-UHFFFAOYSA-N 0 0 435.311 5.248 40 30 IKEBRN C=C1C(=O)C(OC)C(=CCCCCCCCCCCCC/C=C/CCCC)C(=O)C1OC ZINC000100179925 568884395 /nfs/dbraw/zinc/88/43/95/568884395.db2.gz YUAATYHCINDNTB-CMDGGOBGSA-N 0 0 446.672 7.777 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)c(OCC)c2)SC1=S ZINC000026593479 568888236 /nfs/dbraw/zinc/88/82/36/568888236.db2.gz CAORUSWTRMNMPI-STZFKDTASA-N 0 0 425.575 5.360 40 30 IKEBRN CCOc1ccc(/N=C2\SC[C@@H](C)N2C(=O)CCCOc2ccc(OCC)cc2)cc1 ZINC000016044526 568893658 /nfs/dbraw/zinc/89/36/58/568893658.db2.gz OHRGRPRIIFNRBB-XDQFEMHDSA-N 0 0 442.581 5.295 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3cccc4ccccc43)NC2=O)ccc1OCC#N ZINC000015931071 568894072 /nfs/dbraw/zinc/89/40/72/568894072.db2.gz CTBREISQLLCNPM-PXLXIMEGSA-N 0 0 429.501 5.032 40 30 IKEBRN COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccc(C)cc2)cc1Cl ZINC000027061687 568894927 /nfs/dbraw/zinc/89/49/27/568894927.db2.gz DKMODKNHXDWNDZ-FQEVSTJZSA-N 0 0 439.920 5.501 40 30 IKEBRN C=CCn1c(-c2ccc(Cl)cc2)cs/c1=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000103449542 568896740 /nfs/dbraw/zinc/89/67/40/568896740.db2.gz LLUDDHWESILQNA-ZHXADFCOSA-N 0 0 430.964 7.704 40 30 IKEBRN CC(=O)NC(=Cc1ccccc1)C(=O)O[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000103732205 568898963 /nfs/dbraw/zinc/89/89/63/568898963.db2.gz FOEGJHLXFMBZKZ-CFWACLDLSA-N 0 0 449.334 5.960 40 30 IKEBRN CCOc1ccc(/N=C2\SC[C@H](C)N2C(=O)CCCOc2ccc(OCC)cc2)cc1 ZINC000103019215 568900866 /nfs/dbraw/zinc/90/08/66/568900866.db2.gz OHRGRPRIIFNRBB-AXUOHLPSSA-N 0 0 442.581 5.295 40 30 IKEBRN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1OC ZINC000225694572 568901904 /nfs/dbraw/zinc/90/19/04/568901904.db2.gz KJCBMTPITIADGL-UIFKONLOSA-N 0 0 432.564 5.741 40 30 IKEBRN COc1cc(/C=C/C(=O)Nc2sc3c(c2C#N)CCCC3)ccc1OCc1ccccc1 ZINC000001776801 568906442 /nfs/dbraw/zinc/90/64/42/568906442.db2.gz CROBBNXGNDZQNX-WYMLVPIESA-N 0 0 444.556 5.738 40 30 IKEBRN CCCCOc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000001780541 568906943 /nfs/dbraw/zinc/90/69/43/568906943.db2.gz HRUACQBLVJKOMJ-ZXVVBBHZSA-N 0 0 442.588 6.299 40 30 IKEBRN CC(C)(C)c1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 ZINC000001780552 568907073 /nfs/dbraw/zinc/90/70/73/568907073.db2.gz VWXLCLVILGZDQV-OVVQPSECSA-N 0 0 426.589 6.417 40 30 IKEBRN Brc1ccc(/C=N/n2c(SCc3ccccc3)nnc2-c2ccccc2)cc1 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ZINC000059193901 569584850 /nfs/dbraw/zinc/58/48/50/569584850.db2.gz SVGFOGZTJVQMBU-WGOQTCKBSA-N 0 0 443.528 5.792 40 30 IKEBRN Clc1cccc(Cl)c1CN=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000059475148 569585038 /nfs/dbraw/zinc/58/50/38/569585038.db2.gz CLCMBEHFVMOZAA-DNTJNYDQSA-N 0 0 427.154 6.325 40 30 IKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1cccc(F)c1 ZINC000408976634 569585102 /nfs/dbraw/zinc/58/51/02/569585102.db2.gz BLDYXYBIVDDWOE-UHFFFAOYSA-N 0 0 425.463 5.596 40 30 IKEBRN COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000408980897 569585126 /nfs/dbraw/zinc/58/51/26/569585126.db2.gz UBTBRSXQKOYCOY-UHFFFAOYSA-N 0 0 439.490 5.905 40 30 IKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1c(C)cc(C)cc1C ZINC000408979659 569585134 /nfs/dbraw/zinc/58/51/34/569585134.db2.gz NVAUEIQLXANPPA-UHFFFAOYSA-N 0 0 449.554 6.382 40 30 IKEBRN Cc1nc(N)c(C#N)c(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1-c1ccccc1 ZINC000408977071 569585177 /nfs/dbraw/zinc/58/51/77/569585177.db2.gz CTCHFERCNFBWMM-UHFFFAOYSA-N 0 0 430.851 6.000 40 30 IKEBRN Cc1nc(N)c(C#N)c(-c2ccccc2OCc2cccc(Cl)c2)c1-c1ccccc1 ZINC000408820856 569585190 /nfs/dbraw/zinc/58/51/90/569585190.db2.gz ZTQYOTIOLKTHFI-UHFFFAOYSA-N 0 0 425.919 6.410 40 30 IKEBRN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1cccc2ccccc21 ZINC000100499547 123485912 /nfs/dbraw/zinc/48/59/12/123485912.db2.gz ZNJYXOZMNQCFHW-SLJQUXCSSA-N 0 0 443.597 6.390 40 30 IKEBRN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccc(C)cc1C ZINC000100499316 123485976 /nfs/dbraw/zinc/48/59/76/123485976.db2.gz WYZPCDUQQNAHHL-ZMPCKTLKSA-N 0 0 439.606 5.696 40 30 IKEBRN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc2ncccc2c1 ZINC000100505609 123487033 /nfs/dbraw/zinc/48/70/33/123487033.db2.gz YWYFFSBCNNTBCW-LOIXAWJCSA-N 0 0 444.585 5.785 40 30 IKEBRN C#CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000226333897 518293589 /nfs/dbraw/zinc/29/35/89/518293589.db2.gz CCKGAOHTUAAOHH-XBXARRHUSA-N 0 0 440.120 5.525 40 30 IKEBRN C#CCOC(=O)c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 ZINC000226339808 518294607 /nfs/dbraw/zinc/29/46/07/518294607.db2.gz JKEPLJAEIAZRDI-UHFFFAOYSA-N 0 0 432.072 5.264 40 30 IKEBRN C(=C/c1ccccc1)\C=N\c1ccc(CCc2ccc(/N=C\C=C/c3ccccc3)cc2)cc1 ZINC000104138598 518370940 /nfs/dbraw/zinc/37/09/40/518370940.db2.gz VYZDRRDDEMEWKP-FWYYIZQFSA-N 0 0 440.590 8.303 40 30 IKEBRN C/C(=N\Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Cl)cc1Cl ZINC000013402378 518464808 /nfs/dbraw/zinc/46/48/08/518464808.db2.gz HAFXDQGOSZYVFR-BHGWPJFGSA-N 0 0 430.316 6.059 40 30 IKEBRN CC(N=Nc1cc(C(F)(F)F)nc(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000013563099 518465602 /nfs/dbraw/zinc/46/56/02/518465602.db2.gz NYONEBBHSYCQPP-RPPGKUMJSA-N 0 0 435.247 5.761 40 30 IKEBRN CC(N=Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1)c1ccc(C(C)(C)C)cc1 ZINC000013424543 518466318 /nfs/dbraw/zinc/46/63/18/518466318.db2.gz JLSOXMAUTHLLGO-TWKHWXDSSA-N 0 0 439.628 7.535 40 30 IKEBRN CC(N=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(Br)cc1 ZINC000013302178 518469180 /nfs/dbraw/zinc/46/91/80/518469180.db2.gz FVURSRYHKVPRHL-WGOQTCKBSA-N 0 0 444.336 5.804 40 30 IKEBRN C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253598146 518646305 /nfs/dbraw/zinc/64/63/05/518646305.db2.gz MQYXUWHLBZFQQO-MUMFRDAQSA-N 0 0 426.729 8.025 40 30 IKEBRN C=C1/C(=C\C=C2\CCC[C@]3(C)[C@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@]23C)C[C@H](O)C[C@@H]1O ZINC000100016422 518657025 /nfs/dbraw/zinc/65/70/25/518657025.db2.gz DJXFYPCZCCPBLC-XFVUMEGDSA-N 0 0 426.641 5.481 40 30 in-vitro IKEBRN C=C1/C(=C\C=C2\CCC[C@]3(C)[C@@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@]23C)C[C@H](O)C[C@@H]1O ZINC000100016425 518657681 /nfs/dbraw/zinc/65/76/81/518657681.db2.gz DJXFYPCZCCPBLC-QLFKTCFXSA-N 0 0 426.641 5.481 40 30 in-vitro IKEBRN C=C1CC[C@H]2C(C)(C)C(=O)CC[C@]2(C)[C@H]1CC[C@H]1C(=C)CC[C@H]2C(C)(C)C(=O)CC[C@@]21C ZINC000039205827 518665504 /nfs/dbraw/zinc/66/55/04/518665504.db2.gz TWBVZVAEDWRAJO-VJIFFPPFSA-N 0 0 438.696 7.722 40 30 IKEBRN C=CCN(CC=C)[C@H]1c2cc(-c3ccccc3)cnc2Sc2nc(-c3cccnc3)nn21 ZINC000072396305 518772058 /nfs/dbraw/zinc/77/20/58/518772058.db2.gz MSWDMJHSYMREJP-XMMPIXPASA-N 0 0 438.560 5.088 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2c(-c3ccc(C)cc3)nc3sc(CCC)nn23)SC1=S ZINC000041074241 518824023 /nfs/dbraw/zinc/82/40/23/518824023.db2.gz AYLNVJYUHBVBTJ-VBKFSLOCSA-N 0 0 440.619 5.106 40 30 IKEBRN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cc(C)ccc1C ZINC000013306271 518830504 /nfs/dbraw/zinc/83/05/04/518830504.db2.gz UZDHATYOWYEWMI-ZMPCKTLKSA-N 0 0 437.590 5.472 40 30 IKEBRN C=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC(C)(C)C)CC1 ZINC000072345283 518882898 /nfs/dbraw/zinc/88/28/98/518882898.db2.gz SEPQWHJDNYWEII-UHFFFAOYSA-N 0 0 438.637 5.305 40 30 IKEBRN C=CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 ZINC000072345285 518883067 /nfs/dbraw/zinc/88/30/67/518883067.db2.gz KSYMRSQJBLVOLN-JOCHJYFZSA-N 0 0 448.632 5.225 40 30 IKEBRN C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2)c(Br)c1 ZINC000226340952 518967378 /nfs/dbraw/zinc/96/73/78/518967378.db2.gz OCKRZJOSCKBTJX-VMPITWQZSA-N 0 0 425.681 5.563 40 30 IKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000103510949 519013535 /nfs/dbraw/zinc/01/35/35/519013535.db2.gz IPFXDCQCLKYLTJ-KWPJTZOTSA-N 0 0 426.541 6.056 40 30 IKEBRN C=CCSC1=NC(C)(C)C[C@]2(C[C@@H](c3ccc(OC)cc3)c3ccc(O)c(C)c3O2)N1 ZINC000012716879 519076537 /nfs/dbraw/zinc/07/65/37/519076537.db2.gz RYQIQTFWSRHYSV-NBGIEHNGSA-N 0 0 438.593 5.367 40 30 IKEBRN C=CCn1c(-c2ccc(C)cc2)cs/c1=N/c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000022079554 519148843 /nfs/dbraw/zinc/14/88/43/519148843.db2.gz ZNRYZNMWKDBUPO-CYYJNZCTSA-N 0 0 441.604 5.928 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cc(Cl)cc(Cl)c1 ZINC000032611769 519219369 /nfs/dbraw/zinc/21/93/69/519219369.db2.gz RNSMTEBTDXTQKR-UHFFFAOYSA-N 0 0 449.363 5.177 40 30 IKEBRN C=CCn1c(SCc2ccc(Br)cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850314 519238746 /nfs/dbraw/zinc/23/87/46/519238746.db2.gz FFMFMEKYFXEQTC-OAHLLOKOSA-N 0 0 430.371 5.659 40 30 IKEBRN CC(C)N=Nc1nc2c(s1)c(Cl)c(NC(=O)c1ccc(Cl)cc1)cc2Cl ZINC000072229012 519446488 /nfs/dbraw/zinc/44/64/88/519446488.db2.gz MHOXKUAYETZGES-UHFFFAOYSA-N 0 0 427.744 6.317 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000012894870 519757312 /nfs/dbraw/zinc/75/73/12/519757312.db2.gz UOCUEIOMIAYZNI-PGXJJXAMSA-N 0 0 428.613 5.468 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]4CC[C@H](OCc5ccccc5)[C@@]4(C)CC[C@H]32)C1 ZINC000245240802 519757878 /nfs/dbraw/zinc/75/78/78/519757878.db2.gz TUEREPUZRGDETH-XERHMNLUSA-N 0 0 436.592 5.645 40 30 IKEBRN CC(C)c1ccc([C@H]2c3c(N)nc(N4CCCCC4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020635497 519840403 /nfs/dbraw/zinc/84/04/03/519840403.db2.gz BPIYPYMUFAFGAI-OAQYLSRUSA-N 0 0 445.611 5.373 40 30 IKEBRN CCCC(=O)Oc1ccc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)cc1OC ZINC000013564285 519881209 /nfs/dbraw/zinc/88/12/09/519881209.db2.gz DTVXKEYDNONVRZ-AREMUKBSSA-N 0 0 441.527 6.118 40 30 IKEBRN CCCC(=O)Oc1ccc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)cc1OC ZINC000013564283 519881360 /nfs/dbraw/zinc/88/13/60/519881360.db2.gz DTVXKEYDNONVRZ-SANMLTNESA-N 0 0 441.527 6.118 40 30 IKEBRN CCCC/N=C1/Sc2nc3cc(C)cc(C)c3cc2CN1Cc1ccc2c(c1)OCO2 ZINC000012880009 519887164 /nfs/dbraw/zinc/88/71/64/519887164.db2.gz KMKFFEGEMGYMAP-OCEACIFDSA-N 0 0 433.577 5.844 40 30 IKEBRN CCCCCC(=O)O[C@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000022129827 519939078 /nfs/dbraw/zinc/93/90/78/519939078.db2.gz QRBQVZBJIUCHCA-IZWFWXBOSA-N 0 0 428.613 5.826 40 30 IKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1c(Cl)cccc1Cl ZINC000017107676 519948955 /nfs/dbraw/zinc/94/89/55/519948955.db2.gz RMSMBWQZZQVPFL-RUZOVJKGSA-N 0 0 444.233 8.752 40 30 IKEBRN CCCCCCCCCN=Nc1nnc(N=NCCCCCCCCC)c2ccccc21 ZINC000104079187 519971731 /nfs/dbraw/zinc/97/17/31/519971731.db2.gz RNLYBJDCOBJTGK-ZDSKVHJSSA-N 0 0 438.664 7.926 40 30 IKEBRN CCCCCCCCCCCCCCCCCCOS(=O)(=O)c1ccc(Cl)cc1 ZINC000077312030 519996436 /nfs/dbraw/zinc/99/64/36/519996436.db2.gz BZMZOJFOPWKCKG-UHFFFAOYSA-N 0 0 445.109 8.307 40 30 in-vitro IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1cccc([N+](=O)[O-])c1 ZINC000104360275 519999833 /nfs/dbraw/zinc/99/98/33/519999833.db2.gz UOGCKENBJCEZQP-QLYXXIJNSA-N 0 0 448.677 6.874 40 30 IKEBRN CCCCCCCCCCCCOc1ccccc1OCCCCCCCCCCCC ZINC000078212027 520013016 /nfs/dbraw/zinc/01/30/16/520013016.db2.gz QZKHVGBCTSNCTL-UHFFFAOYSA-N 0 0 446.760 10.286 40 30 IKEBRN CCCCCCCCCOc1ccc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1 ZINC000068569029 520029505 /nfs/dbraw/zinc/02/95/05/520029505.db2.gz YVPYZHCSBVXQFE-YHXWELGASA-N 0 0 427.592 8.982 40 30 IKEBRN CCCCCCCCC[N+](C)([O-])CCCCCC[N+](C)([O-])CCCCCCCCC ZINC000104199039 520031675 /nfs/dbraw/zinc/03/16/75/520031675.db2.gz CJQFIWHTMUHATI-UHFFFAOYSA-N 0 0 428.746 7.937 40 30 IKEBRN CCCCCCCCNC(=O)C[C@@H]1c2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000064858363 520033748 /nfs/dbraw/zinc/03/37/48/520033748.db2.gz AFBOFJAXQUATPU-CVDCTZTESA-N 0 0 441.015 6.339 40 30 in-vitro IKEBRN CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OC)Nc1ccccc1-2 ZINC000101007381 520066906 /nfs/dbraw/zinc/06/69/06/520066906.db2.gz HAUGGIOPWFPKPH-QFIPXVFZSA-N 0 0 436.581 6.113 40 30 IKEBRN CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@@H]21 ZINC000071784708 520108903 /nfs/dbraw/zinc/10/89/03/520108903.db2.gz WVXXEBLHRGPWQV-DCLFOLCFSA-N 0 0 446.635 6.498 40 30 IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3ccc(Cl)cc3C)c(C)c2s1 ZINC000072228836 520184337 /nfs/dbraw/zinc/18/43/37/520184337.db2.gz KFOSDEDQPLKYFD-WGARJPEWSA-N 0 0 444.988 6.090 40 30 IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(-c4ccccc4)cc3)c(C)c2s1 ZINC000072228632 520184411 /nfs/dbraw/zinc/18/44/11/520184411.db2.gz KOKAIYIALCHRET-RHANQZHGSA-N 0 0 442.588 7.030 40 30 IKEBRN CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000009304653 520320707 /nfs/dbraw/zinc/32/07/07/520320707.db2.gz ZBFJZKMDAYPMIR-DZNDYGJHSA-N 0 0 428.557 6.280 40 30 IKEBRN CCOC(=O)/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)N1c2ccccc2C[C@@H]1C 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/nfs/dbraw/zinc/64/84/63/525648463.db2.gz PPKKKIHENCJCAG-CYYJNZCTSA-N 0 0 445.588 5.987 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1 ZINC000101486608 525764371 /nfs/dbraw/zinc/76/43/71/525764371.db2.gz RZNALYVPKBLOEL-KWPJTZOTSA-N 0 0 428.557 5.850 40 30 IKEBRN COc1cccc(/C=N/C[C@]2(O)CC[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O ZINC000118918855 525770471 /nfs/dbraw/zinc/77/04/71/525770471.db2.gz PFLCXOYUUHWAGR-CZMXNXPISA-N 0 0 439.640 5.984 40 30 IKEBRN COc1cccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc32)c1O ZINC000083295834 525777423 /nfs/dbraw/zinc/77/74/23/525777423.db2.gz XCZAGJVIWOAYNA-ROTLSHHCSA-N 0 0 439.302 5.764 40 30 IKEBRN Cc1ccc(C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccc3ccccc32)cc1 ZINC000005743156 525943147 /nfs/dbraw/zinc/94/31/47/525943147.db2.gz KVBAGGPRRSFBOP-SHHOIMCASA-N 0 0 426.432 5.829 40 30 IKEBRN Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)cc1 ZINC000100306552 525959153 /nfs/dbraw/zinc/95/91/53/525959153.db2.gz 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N#CC1(C#N)[C@H]2c3ccccc3C=CN2[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000013635574 526430803 /nfs/dbraw/zinc/43/08/03/526430803.db2.gz GIMPXNKAJBQLLQ-KYPHJKQUSA-N 0 0 435.914 5.750 40 30 IKEBRN c1ccc(N=C2C=C(Nc3ccccc3)C(Nc3ccccc3)=CC2=Nc2ccccc2)cc1 ZINC000059880784 526460868 /nfs/dbraw/zinc/46/08/68/526460868.db2.gz IDDYUZBZSSUAGK-VPROMNBDSA-N 0 0 440.550 7.537 40 30 IKEBRN N#C[C@@H]1C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000004983045 526501650 /nfs/dbraw/zinc/50/16/50/526501650.db2.gz TWDUEZCBTVNBEI-QUBLIXHFSA-N 0 0 437.542 6.600 40 30 IKEBRN N#Cc1cc2cc3c(cc2nc1SCC(=O)N(c1ccccc1)c1ccccc1)OCO3 ZINC000035311863 526581666 /nfs/dbraw/zinc/58/16/66/526581666.db2.gz JQRWLRSLEWMNEC-UHFFFAOYSA-N 0 0 439.496 5.292 40 30 IKEBRN Clc1ccc(/C=N/N2CCN(/N=C/c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 ZINC000001700686 526938256 /nfs/dbraw/zinc/93/82/56/526938256.db2.gz LDSOWJJTHNMJLW-ASIDMNOUSA-N 0 0 430.166 5.286 40 30 IKEBRN O=C1C(=NNc2cc(C(F)(F)F)ccc2Cl)c2ccccc2N1Cc1ccccc1 ZINC000102982102 526947372 /nfs/dbraw/zinc/94/73/72/526947372.db2.gz SAHXSASSIRXSOT-VFCFBJKWSA-N 0 0 429.829 5.722 40 30 IKEBRN O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)cn1/N=C/c1ccccc1 ZINC000012548774 526954820 /nfs/dbraw/zinc/95/48/20/526954820.db2.gz BXUFXLYYXXVEEA-CVKSISIWSA-N 0 0 430.895 5.103 40 30 IKEBRN O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccc(Cl)cc1Cl ZINC000013567953 526967987 /nfs/dbraw/zinc/96/79/87/526967987.db2.gz BYLFWEVXMCQIKO-AWEZNQCLSA-N 0 0 430.287 5.250 40 30 IKEBRN O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000013567951 526968494 /nfs/dbraw/zinc/96/84/94/526968494.db2.gz RWBSQZRGECRCOK-INIZCTEOSA-N 0 0 430.287 5.250 40 30 IKEBRN O=C(COc1cccc(Cl)c1)/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1 ZINC000012546765 526975581 /nfs/dbraw/zinc/97/55/81/526975581.db2.gz HYCXMWDSRXLBCS-XAYXJRQQSA-N 0 0 444.840 5.731 40 30 IKEBRN Clc1cccc(Cl)c1CN/N=C/c1cn(-c2ccccc2)nc1-c1cccs1 ZINC000009196246 526979583 /nfs/dbraw/zinc/97/95/83/526979583.db2.gz XYXFZBBQILXPMQ-WYMPLXKRSA-N 0 0 427.360 6.031 40 30 IKEBRN Clc1cccc2c(C#Cc3ccccc3)c3cccc(Cl)c3c(C#Cc3ccccc3)c12 ZINC000002167087 526982231 /nfs/dbraw/zinc/98/22/31/526982231.db2.gz YONGNHJIWAYNLC-UHFFFAOYSA-N 0 0 447.364 8.099 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccccc1OCc1ccc(Cl)cc1 ZINC000016449004 527041688 /nfs/dbraw/zinc/04/16/88/527041688.db2.gz QMQJEKHQXPJWHT-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 ZINC000012274891 527042433 /nfs/dbraw/zinc/04/24/33/527042433.db2.gz BOODQQCFEODCTO-LICLKQGHSA-N 0 0 433.291 6.284 40 30 IKEBRN O=C(CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000100404182 527144474 /nfs/dbraw/zinc/14/44/74/527144474.db2.gz ZSWLOYHPSHLOFC-FXFSXJFASA-N 0 0 435.936 5.505 40 30 IKEBRN O=C(Nc1ccc(Cl)cc1)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000098001582 527180999 /nfs/dbraw/zinc/18/09/99/527180999.db2.gz KXIPHUDICGRBFF-QMMMGPOBSA-N 0 0 439.608 5.314 40 30 IKEBRN Cc1nc2cnc3ccc(C#Cc4cccnc4)cc3c2n1-c1ccc(C(C)(C)C#N)cc1 ZINC000043197011 527182637 /nfs/dbraw/zinc/18/26/37/527182637.db2.gz GVPAGJWVBUZHNQ-UHFFFAOYSA-N 0 0 427.511 5.478 40 30 in-vitro IKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)o2)cc1 ZINC000013382095 527341225 /nfs/dbraw/zinc/34/12/25/527341225.db2.gz JGLRYDVTSPUKQZ-RNIAWFEPSA-N 0 0 430.376 5.476 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2c3ccccc3n(-c3ccccc3)c2Cl)c([N+](=O)[O-])c1 ZINC000004774568 527359913 /nfs/dbraw/zinc/35/99/13/527359913.db2.gz AWKCSEAUFJEXAL-QRVIBDJDSA-N 0 0 435.827 5.546 40 30 IKEBRN Nc1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl)cn1 ZINC000068568560 527474849 /nfs/dbraw/zinc/47/48/49/527474849.db2.gz KTMOUHFWZYLLQT-UHFFFAOYSA-N 0 0 428.604 5.128 40 30 IKEBRN Cc1nn(-c2ccc(C)c(Cl)c2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2cccc(C#N)c2)C1 ZINC000012603373 527521451 /nfs/dbraw/zinc/52/14/51/527521451.db2.gz AONWAIPAMWWZGM-TZIWHRDSSA-N 0 0 445.954 5.556 40 30 biogenic,in-vitro IKEBRN Nc1ncc(-c2ccc(Br)cc2)n1/N=C/c1ccc(OCc2ccccc2)cc1 ZINC000006143336 527562974 /nfs/dbraw/zinc/56/29/74/527562974.db2.gz PWOZSCMITWWHQT-MZJWZYIUSA-N 0 0 447.336 5.356 40 30 IKEBRN O=C(/C=C/c1ccc(Cl)cc1)/N=C1\c2ccccc2CN1c1cccc(C(F)(F)F)c1 ZINC000012524542 527606469 /nfs/dbraw/zinc/60/64/69/527606469.db2.gz NKMXOTFNSBUBAH-HATZZRJISA-N 0 0 440.852 6.366 40 30 IKEBRN O=C(/C=C/c1ccccc1Cl)c1ccc2c3c(cccc13)C(=O)N(c1ccccc1)C2=O ZINC000013550217 527635385 /nfs/dbraw/zinc/63/53/85/527635385.db2.gz SXXMKSLIGAJHBX-DTQAZKPQSA-N 0 0 437.882 6.190 40 30 IKEBRN FC(F)(Cl)[C@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)C(Cl)(Cl)Cl ZINC000095682115 527661844 /nfs/dbraw/zinc/66/18/44/527661844.db2.gz ZUBPFQXYAINABF-LWMBPPNESA-N 0 0 436.768 6.268 40 30 IKEBRN O=C(C=CNc1cc(Cl)ccc1C(=O)c1ccccc1)c1ccc(Br)cc1 ZINC000016477007 527652345 /nfs/dbraw/zinc/65/23/45/527652345.db2.gz NKXOXRMEJUIMEZ-SEYXRHQNSA-N 0 0 440.724 6.142 40 30 IKEBRN FC(F)(F)c1ccccc1NC(=S)N/N=C/c1c[nH]c2ccc(Br)cc12 ZINC000013098686 527687157 /nfs/dbraw/zinc/68/71/57/527687157.db2.gz WLSYNJKMBJKXDP-NUGSKGIGSA-N 0 0 441.276 5.270 40 30 IKEBRN FC(F)Oc1ccccc1CN=Nc1nc(C(Cl)(Cl)Cl)nc2ccccc21 ZINC000013301612 527697059 /nfs/dbraw/zinc/69/70/59/527697059.db2.gz YMLWIUXWMNGENR-NUGSKGIGSA-N 0 0 431.657 5.504 40 30 IKEBRN C=CCN(CC=C)C(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000034759638 555508450 /nfs/dbraw/zinc/50/84/50/555508450.db2.gz LSGCORLWINIVDP-UHFFFAOYSA-N 0 0 448.642 6.458 40 30 IKEBRN Cc1ccc(NC(=O)CO/N=C\c2c(OCc3ccccc3F)ccc3ccccc32)cc1 ZINC000034888416 555554152 /nfs/dbraw/zinc/55/41/52/555554152.db2.gz FRDNCZMEINCBBC-MWLSYYOVSA-N 0 0 442.490 5.856 40 30 IKEBRN C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccc(OC)cc1)c1ccnc2ccccc21 ZINC000009360091 555559973 /nfs/dbraw/zinc/55/99/73/555559973.db2.gz VMOSPCSOWBEFCJ-KBCVXPAYSA-N 0 0 428.532 5.038 40 30 IKEBRN CN(C)c1ccc(NN=C2SC(=N\c3ccccc3)/C(=N/c3ccccc3)S2)cc1 ZINC000001644376 555707918 /nfs/dbraw/zinc/70/79/18/555707918.db2.gz FJWOBPMTNRHOOZ-NUJSLWOLSA-N 0 0 431.590 6.376 40 30 IKEBRN N#CCSc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1 ZINC000001644218 555707950 /nfs/dbraw/zinc/70/79/50/555707950.db2.gz MZLQMOFYMVOCJX-UHFFFAOYSA-N 0 0 427.554 5.640 40 30 IKEBRN CCCCCCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1 ZINC000001841737 555720101 /nfs/dbraw/zinc/72/01/01/555720101.db2.gz FGXPVGUXUBIJTC-HKOYGPOVSA-N 0 0 436.621 6.934 40 30 IKEBRN CCCCCCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3C)NC2=O)cc1 ZINC000001854588 555720965 /nfs/dbraw/zinc/72/09/65/555720965.db2.gz YZMMWNLFMLYJHN-HKOYGPOVSA-N 0 0 436.621 6.934 40 30 IKEBRN CCOC(=O)c1c(-c2ccccc2)csc1/N=C/c1cc(Br)ccc1O ZINC000001926054 555725141 /nfs/dbraw/zinc/72/51/41/555725141.db2.gz GURAWJZVZKRMFP-SSDVNMTOSA-N 0 0 430.323 5.811 40 30 IKEBRN COc1cc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000003149029 555892322 /nfs/dbraw/zinc/89/23/22/555892322.db2.gz YVGFCIAXXMCXLQ-AFUMVMLFSA-N 0 0 445.500 6.159 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000408560189 555900075 /nfs/dbraw/zinc/90/00/75/555900075.db2.gz CWACEHKVPMUIOF-UHFFFAOYSA-N 0 0 432.524 5.078 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1F ZINC000035152309 555911363 /nfs/dbraw/zinc/91/13/63/555911363.db2.gz OADIPCDMIGAEJI-HAHDFKILSA-N 0 0 448.519 5.695 40 30 IKEBRN COc1cc(C=NNc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000408568446 555911768 /nfs/dbraw/zinc/91/17/68/555911768.db2.gz UMLLGCCRMDIBQF-ZMOGYAJESA-N 0 0 445.744 6.136 40 30 IKEBRN CCC(C)(C)[C@H]1CCC(=O)C(=CNc2ccc(Br)cc2Br)C1 ZINC000408563917 555917197 /nfs/dbraw/zinc/91/71/97/555917197.db2.gz SEEYYOAAKIOYGV-YLSINNKHSA-N 0 0 429.196 6.313 40 30 IKEBRN CCc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2Cl)cc1 ZINC000408575324 555926079 /nfs/dbraw/zinc/92/60/79/555926079.db2.gz JSZJLQVFNHXCTP-UHFFFAOYSA-N 0 0 445.902 5.383 40 30 IKEBRN CC(=O)[C@]12O[C@](C)(c3ccco3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000003644088 555943430 /nfs/dbraw/zinc/94/34/30/555943430.db2.gz PDWGBWJIJZYLQQ-FWSWDPMFSA-N 0 0 438.564 5.337 40 30 IKEBRN O=C1c2cccc3cccc(c23)/C1=C1\Sc2ccc3c(c2C1=O)C(=O)c1ccccc1C3=O ZINC000003845263 555948096 /nfs/dbraw/zinc/94/80/96/555948096.db2.gz HVUVNUIHNRKCDW-XAYXJRQQSA-N 0 0 444.467 5.511 40 30 IKEBRN Cc1c(/C=N/OCc2ccccc2C#N)c2ccccc2n1Cc1ccc(Cl)cc1Cl ZINC000408590854 555950544 /nfs/dbraw/zinc/95/05/44/555950544.db2.gz IMPWYQQZIIMTJW-IPPBACCNSA-N 0 0 448.353 6.727 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000408593499 555959572 /nfs/dbraw/zinc/95/95/72/555959572.db2.gz QCXJYMQPGQRWJQ-KKMKTNMSSA-N 0 0 445.733 6.648 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2C#N)c(Br)c1 ZINC000408593580 555959649 /nfs/dbraw/zinc/95/96/49/555959649.db2.gz QIUAEQSFHSOLMY-MZJWZYIUSA-N 0 0 446.304 5.322 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1cc(Br)ccc1OCc1ccccc1C#N ZINC000408594479 555960774 /nfs/dbraw/zinc/96/07/74/555960774.db2.gz HJJUAGSCXGCBLW-MZJWZYIUSA-N 0 0 446.304 5.322 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 ZINC000408594632 555961117 /nfs/dbraw/zinc/96/11/17/555961117.db2.gz UMBOREIKCMYAIU-WYMPLXKRSA-N 0 0 431.275 6.031 40 30 IKEBRN CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000004216195 555976763 /nfs/dbraw/zinc/97/67/63/555976763.db2.gz MXZYUFNILISKBC-WXLIAARGSA-N 0 0 440.502 5.198 40 30 IKEBRN O=C1c2c(c(Cl)c(Cl)c(Cl)c2Cl)C(=O)C1=C1C=Cc2ccc(O)cc2N1 ZINC000004235738 555977958 /nfs/dbraw/zinc/97/79/58/555977958.db2.gz SHBUQNAROCIZOM-UHFFFAOYSA-N 0 0 427.070 5.778 40 30 IKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@@H]5[C@H](C)[C@@H](O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 ZINC000004293645 555984114 /nfs/dbraw/zinc/98/41/14/555984114.db2.gz UUQHSDXEXFGEPZ-QSWUKFPUSA-N 0 0 430.717 7.380 40 30 IKEBRN Clc1ccc(/C=N\N2CCN(/N=C\c3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000004990728 556025903 /nfs/dbraw/zinc/02/59/03/556025903.db2.gz WALVIZGMSHJSLH-CBSQCECLSA-N 0 0 430.166 5.286 40 30 IKEBRN Cn1c2ccccc2nc1NN=Cc1ccc(OCc2ccccc2)c(Br)c1 ZINC000408657715 556038694 /nfs/dbraw/zinc/03/86/94/556038694.db2.gz NLXXDMGKSJSMOQ-ZVHZXABRSA-N 0 0 435.325 5.361 40 30 IKEBRN C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl ZINC000035252624 556041592 /nfs/dbraw/zinc/04/15/92/556041592.db2.gz LOTJJFAHXNXYMY-CQSZACIVSA-N 0 0 447.391 5.554 40 30 IKEBRN CC1=C(c2ccccc2)C(c2ccccc2)=C(C)C1=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000005340131 556046713 /nfs/dbraw/zinc/04/67/13/556046713.db2.gz PTRRVKFDHBZPGW-UHFFFAOYSA-N 0 0 440.459 6.232 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1F ZINC000035362045 556083954 /nfs/dbraw/zinc/08/39/54/556083954.db2.gz JVYASTIWKCZDER-UHFFFAOYSA-N 0 0 437.327 5.308 40 30 IKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000408702574 556106585 /nfs/dbraw/zinc/10/65/85/556106585.db2.gz KMEFRAWXICYJRE-CFWGEQFBSA-N 0 0 447.575 5.603 40 30 IKEBRN CCCCCCCCCCCOC(=O)c1ccc2nc3ccc4ccccc4c3nc2c1 ZINC000408722458 556148832 /nfs/dbraw/zinc/14/88/32/556148832.db2.gz ULOWXSNJKJRQTB-UHFFFAOYSA-N 0 0 428.576 7.624 40 30 IKEBRN CCOc1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 ZINC000408733944 556195638 /nfs/dbraw/zinc/19/56/38/556195638.db2.gz SPIFLKCKQINEJM-CVKSISIWSA-N 0 0 435.932 6.923 40 30 IKEBRN C=CCN(CC=C)C(=S)Nc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408735459 556202381 /nfs/dbraw/zinc/20/23/81/556202381.db2.gz QELBILFNFPMROZ-UHFFFAOYSA-N 0 0 434.568 6.460 40 30 IKEBRN CCOCCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccccc1 ZINC000008722457 556203404 /nfs/dbraw/zinc/20/34/04/556203404.db2.gz AIQYXDWFYMPQRS-OBUXZSPNSA-N 0 0 432.545 5.489 40 30 IKEBRN O=C1N/C(=N\c2ccc(Br)cc2)S/C1=C/c1ccc(Br)cc1 ZINC000035647568 556204372 /nfs/dbraw/zinc/20/43/72/556204372.db2.gz XNRCNWDESAKXNR-NTEUORMPSA-N 0 0 438.144 5.103 40 30 IKEBRN Fc1ccc(COc2ccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)cc1 ZINC000408737067 556204679 /nfs/dbraw/zinc/20/46/79/556204679.db2.gz HEGKNJXPFFPFAK-AJBULDERSA-N 0 0 447.513 7.008 40 30 IKEBRN Cc1ccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccc(C)cc4)cs3)cc2)cc1 ZINC000408737162 556205385 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ZINC000408928706 556521850 /nfs/dbraw/zinc/52/18/50/556521850.db2.gz DSFQHSWSLIHTIW-DBPHPPTCSA-N 0 0 430.957 5.158 40 30 IKEBRN C=CCc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408929026 556521917 /nfs/dbraw/zinc/52/19/17/556521917.db2.gz GMRASTBHMKDYTI-DRMKFXMXSA-N 0 0 440.540 5.064 40 30 IKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3F)c(OCC)c2)C(=O)N1CC ZINC000408930495 556523493 /nfs/dbraw/zinc/52/34/93/556523493.db2.gz XUJPIFPWKNWYPE-LRXZINBSSA-N 0 0 428.529 5.116 40 30 IKEBRN FC(F)(F)c1ccc(NN=Cc2ccc(-c3ccc(Br)c(Cl)c3)o2)cc1 ZINC000408931008 556524552 /nfs/dbraw/zinc/52/45/52/556524552.db2.gz GAAFIKXGUYREKU-VROXFSQNSA-N 0 0 443.650 6.827 40 30 IKEBRN Cc1c(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc2n1Cc1ccccc1C#N ZINC000408931156 556524566 /nfs/dbraw/zinc/52/45/66/556524566.db2.gz HTITUMBRTRLIJG-NDZAJKAJSA-N 0 0 434.543 5.457 40 30 IKEBRN CC(=CN=Nc1nnc(N=NC=C(C)Cc2ccccc2)c2ccccc21)Cc1ccccc1 ZINC000031669989 556525408 /nfs/dbraw/zinc/52/54/08/556525408.db2.gz BPCYNUABEPJTQI-VMMUXPMXSA-N 0 0 446.558 6.632 40 30 IKEBRN Cc1c(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc2n1Cc1ccccc1Cl ZINC000408932081 556525465 /nfs/dbraw/zinc/52/54/65/556525465.db2.gz SWGWSESWHNFAOR-RDRPBHBLSA-N 0 0 443.978 6.239 40 30 IKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408934343 556526738 /nfs/dbraw/zinc/52/67/38/556526738.db2.gz AGKOMRFSYHGEMD-BACCJKGJSA-N 0 0 440.974 7.482 40 30 IKEBRN CCNC(=O)O/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@H](OC(=O)NCC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000031829766 556526826 /nfs/dbraw/zinc/52/68/26/556526826.db2.gz ODSCMQMBEHYDCG-JEVPLTEYSA-N 0 0 445.604 5.166 40 30 IKEBRN Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000031852726 556527115 /nfs/dbraw/zinc/52/71/15/556527115.db2.gz HUWFWRBOYDPAPI-KXFIGUGUSA-N 0 0 433.316 6.127 40 30 IKEBRN COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408934446 556527170 /nfs/dbraw/zinc/52/71/70/556527170.db2.gz ATOABYCADJWBHR-HCHQZTDDSA-N 0 0 428.963 7.234 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408933462 556527810 /nfs/dbraw/zinc/52/78/10/556527810.db2.gz ADFRWNKVJFMONB-AXAWFECKSA-N 0 0 448.566 6.674 40 30 IKEBRN CC1N(/N=C\c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)N1/N=C/c1ccccc1 ZINC000031960871 556528063 /nfs/dbraw/zinc/52/80/63/556528063.db2.gz ZFJQYECGRCXXIO-UWMYTQNWSA-N 0 0 444.582 6.501 40 30 IKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc([O-])c([N+](=O)[O-])c3)cc1)N2 ZINC000408935109 556528197 /nfs/dbraw/zinc/52/81/97/556528197.db2.gz GTFIQLBGUIBNKM-OOXWVHJOSA-N 0 0 425.488 6.186 40 30 IKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Cl)cc1Br ZINC000032100512 556528818 /nfs/dbraw/zinc/52/88/18/556528818.db2.gz QRGXBBJQFMLLSJ-CSKARUKUSA-N 0 0 429.539 6.064 40 30 IKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 ZINC000032111985 556530924 /nfs/dbraw/zinc/53/09/24/556530924.db2.gz OMKGMMANYWRPAT-UVHMKAGCSA-N 0 0 433.294 7.411 40 30 IKEBRN C[C@@H]1Cc2cc(OC(=O)c3cccc(F)c3)ccc2/C(=N/OC(=O)c2cccc(F)c2)C1 ZINC000032116542 556532480 /nfs/dbraw/zinc/53/24/80/556532480.db2.gz WQEDAUFXZCJDGI-HEHMFNKLSA-N 0 0 435.426 5.327 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=N/c3sc4c(c3C#N)CCN(C)C4)cc2[N+](=O)[O-])cc1 ZINC000032124885 556534091 /nfs/dbraw/zinc/53/40/91/556534091.db2.gz WVKHAQUXYLQWEN-DHRITJCHSA-N 0 0 448.573 5.726 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc(OC)c1OC ZINC000408938793 556537719 /nfs/dbraw/zinc/53/77/19/556537719.db2.gz RPHGNXZYNHJXIC-UQIUYHSWSA-N 0 0 440.543 6.290 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O ZINC000408939297 556537811 /nfs/dbraw/zinc/53/78/11/556537811.db2.gz MGVBRIPYDRSOKU-YFEJFNSASA-N 0 0 444.962 6.940 40 30 IKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408941174 556540525 /nfs/dbraw/zinc/54/05/25/556540525.db2.gz OUAVVNZYWXPSCU-DDEBHVINSA-N 0 0 442.990 7.706 40 30 IKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408943933 556540983 /nfs/dbraw/zinc/54/09/83/556540983.db2.gz SSTSGKJPRNWSDI-HVGHKUKKSA-N 0 0 438.571 7.061 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(OCC)c(OCC)cc3Cl)S2)cc1 ZINC000408950495 556548080 /nfs/dbraw/zinc/54/80/80/556548080.db2.gz FOGNENBZNNBDIB-UDWIEESQSA-N 0 0 446.956 5.428 40 30 IKEBRN Cc1oc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(C#N)c1C ZINC000408949737 556548231 /nfs/dbraw/zinc/54/82/31/556548231.db2.gz FYOXSGKXZRRYGK-OPEKNORGSA-N 0 0 443.728 6.514 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@@H](C)CC)c(OC)c3)S2)cc1 ZINC000408951170 556548509 /nfs/dbraw/zinc/54/85/09/556548509.db2.gz HYOWNCMUDNPXIE-HBBMIWKISA-N 0 0 426.538 5.163 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@@H](C)CC)c(Cl)c3)S2)cc1 ZINC000408949531 556549740 /nfs/dbraw/zinc/54/97/40/556549740.db2.gz BIFQSSLJMRADIZ-ZXOFLVKFSA-N 0 0 430.957 5.808 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3c(OC)ccc4ccc(OC)cc43)S2)cc1 ZINC000408952630 556549775 /nfs/dbraw/zinc/54/97/75/556549775.db2.gz LZOMCUKLQREPAR-HYARGMPZSA-N 0 0 434.517 5.147 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4C)c3C)S2)cc1 ZINC000408953481 556552964 /nfs/dbraw/zinc/55/29/64/556552964.db2.gz PXCVEIIAORVFLA-HZHRSRAPSA-N 0 0 445.588 6.001 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(OCC)c(OC)cc3Cl)S2)cc1 ZINC000408954329 556556503 /nfs/dbraw/zinc/55/65/03/556556503.db2.gz SNHHHGSYTXGIGT-YBFXNURJSA-N 0 0 432.929 5.038 40 30 IKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(Br)c(Br)o2)cc1 ZINC000408954192 556556789 /nfs/dbraw/zinc/55/67/89/556556789.db2.gz RTPLXNMIOUHCMX-VXLYETTFSA-N 0 0 429.108 5.512 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(OC)c(OCC)cc3Cl)S2)cc1 ZINC000408955039 556559485 /nfs/dbraw/zinc/55/94/85/556559485.db2.gz VLGFQLBAIWRZPN-YBFXNURJSA-N 0 0 432.929 5.038 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccccc1 ZINC000408960072 556561248 /nfs/dbraw/zinc/56/12/48/556561248.db2.gz IZVCTDKEDCPXNC-YJMOJNCUSA-N 0 0 435.593 5.236 40 30 IKEBRN CCOc1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2CC)cc1 ZINC000408959675 556562628 /nfs/dbraw/zinc/56/26/28/556562628.db2.gz CYZMTLUKHSDWRW-CMEWOCMCSA-N 0 0 435.593 5.618 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4c(C)cccc4CC)c3C)S2)cc1 ZINC000408960824 556563671 /nfs/dbraw/zinc/56/36/71/556563671.db2.gz OJSZGQDJWJQQTD-JLPGSUDCSA-N 0 0 443.616 6.419 40 30 IKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc(Br)cc2)NC1=O ZINC000408961439 556564617 /nfs/dbraw/zinc/56/46/17/556564617.db2.gz SVNSUFNZENOUMY-UYRXBGFRSA-N 0 0 442.382 5.249 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)cc1 ZINC000408962228 556565024 /nfs/dbraw/zinc/56/50/24/556565024.db2.gz RCSDZKOVFMXQNV-OEAKJJBVSA-N 0 0 431.561 5.611 40 30 IKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccc(OC)cc1 ZINC000408962272 556565025 /nfs/dbraw/zinc/56/50/25/556565025.db2.gz XWZAIDFIEOTRCQ-CMEWOCMCSA-N 0 0 446.576 5.176 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c1C ZINC000408962492 556565339 /nfs/dbraw/zinc/56/53/39/556565339.db2.gz YORPCHHDRGHLFT-HAHDFKILSA-N 0 0 429.589 6.165 40 30 IKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408962893 556566768 /nfs/dbraw/zinc/56/67/68/556566768.db2.gz VRFVZIQIQKIZRG-VCHYOVAHSA-N 0 0 443.843 5.539 40 30 IKEBRN COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@]23C)cc1OC ZINC000033957356 556570457 /nfs/dbraw/zinc/57/04/57/556570457.db2.gz KJCBMTPITIADGL-KFMDRPHRSA-N 0 0 432.564 5.741 40 30 IKEBRN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(OC(F)F)cc1 ZINC000033957372 556570482 /nfs/dbraw/zinc/57/04/82/556570482.db2.gz VGYMEBWQLDCBIR-KHJJPSAISA-N 0 0 438.518 6.325 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2C)c1 ZINC000408964594 556570785 /nfs/dbraw/zinc/57/07/85/556570785.db2.gz CWGILAAPNFMPDQ-JCMHNJIXSA-N 0 0 445.544 5.162 40 30 IKEBRN CC[C@@H](C)n1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 ZINC000408964509 556570875 /nfs/dbraw/zinc/57/08/75/556570875.db2.gz HKODFMAHNWAHLO-OTGIAGGSSA-N 0 0 444.387 6.811 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3cccc(Br)c3)c2C)c1 ZINC000408966660 556575717 /nfs/dbraw/zinc/57/57/17/556575717.db2.gz NJCQWTZGEOJSHC-ZVHZXABRSA-N 0 0 425.326 5.784 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br ZINC000408966627 556575816 /nfs/dbraw/zinc/57/58/16/556575816.db2.gz PRUUJBTWDJEUFR-BXUJETTOSA-N 0 0 445.382 5.826 40 30 IKEBRN CCn1c2cc(Br)c(Br)cc2nc1/N=C/c1cc(C)ccc1O ZINC000016162787 556586720 /nfs/dbraw/zinc/58/67/20/556586720.db2.gz CXFKUAKDYNBXPU-AWQFTUOYSA-N 0 0 437.135 5.346 40 30 IKEBRN COc1ccc(O)c(/C(CCCCCCCC/C(=N\O)c2cc(OC)ccc2O)=N/O)c1 ZINC000016215177 556591586 /nfs/dbraw/zinc/59/15/86/556591586.db2.gz BZKIPGUMZWNUNO-CDTUYSNOSA-N 0 0 444.528 5.293 40 30 IKEBRN COc1ccc(N=CC=C(Nc2ccc(OC)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000016216888 556592144 /nfs/dbraw/zinc/59/21/44/556592144.db2.gz PTCCZEJMFFWAMS-OHQCDDMMSA-N 0 0 427.331 6.866 40 30 IKEBRN COc1cccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c1OC ZINC000016228182 556593269 /nfs/dbraw/zinc/59/32/69/556593269.db2.gz LODFTWUBCBRYFR-MYYYXRDXSA-N 0 0 426.582 5.457 40 30 IKEBRN COc1ccc(C(=NNc2ccc([N+](=O)[O-])cc2)c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000016227637 556593299 /nfs/dbraw/zinc/59/32/99/556593299.db2.gz DLBFBMZABQPVEF-ATJXCDBQSA-N 0 0 426.816 5.030 40 30 IKEBRN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000016268119 556596043 /nfs/dbraw/zinc/59/60/43/556596043.db2.gz LVMQXJCQUZXOLC-LJQANCHMSA-N 0 0 444.749 7.255 40 30 IKEBRN Cc1ccc(O)c(/C(CCCCCCCCCC/C(=N\O)c2cc(C)ccc2O)=N/O)c1 ZINC000016284615 556597197 /nfs/dbraw/zinc/59/71/97/556597197.db2.gz ANFNIGZCOYDJTJ-LMCGJEQXSA-N 0 0 440.584 6.672 40 30 IKEBRN Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2C)cc1C ZINC000016362643 556603062 /nfs/dbraw/zinc/60/30/62/556603062.db2.gz CDSLPVZVKDXMAX-PLFABGOGSA-N 0 0 429.563 7.950 40 30 IKEBRN O/N=C(\CCCCCCCCCC/C(=N\O)c1ccc(O)cc1O)c1ccc(O)cc1O ZINC000016385591 556604352 /nfs/dbraw/zinc/60/43/52/556604352.db2.gz IGNPOJGLBWGABI-CDTUYSNOSA-N 0 0 444.528 5.467 40 30 IKEBRN Clc1ccc(N=CC=C(Nc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)cc1 ZINC000016401975 556606024 /nfs/dbraw/zinc/60/60/24/556606024.db2.gz MEDBKPAFNMCXLE-KCWIKEJLSA-N 0 0 436.169 8.156 40 30 IKEBRN O=C1c2cc(Cl)ccc2O[C@H](Nc2ccc(Cl)cc2)C1=CNc1ccc(Cl)cc1 ZINC000016427859 556606753 /nfs/dbraw/zinc/60/67/53/556606753.db2.gz UWKPRUGQGOONHN-PSXBWXLBSA-N 0 0 445.733 6.656 40 30 IKEBRN Oc1ccccc1C=Nc1ccc(-c2nc3cc(N=Cc4ccccc4O)ccc3[nH]2)cc1 ZINC000016449079 556609014 /nfs/dbraw/zinc/60/90/14/556609014.db2.gz AWUNALUYKQQNCJ-LPHFKDDMSA-N 0 0 432.483 6.142 40 30 IKEBRN O=C(CC(=CC(=C1Cc2ccccc2C1=O)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000016450682 556609440 /nfs/dbraw/zinc/60/94/40/556609440.db2.gz MUCYMSYQFRLMSG-KFRNGIDRSA-N 0 0 440.542 7.236 40 30 IKEBRN N#C[C@@H](N=C(c1ccccc1)c1ccccc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000016451211 556609647 /nfs/dbraw/zinc/60/96/47/556609647.db2.gz LVIHSCNQUPCKOS-IXCJQBJRSA-N 0 0 435.958 6.923 40 30 IKEBRN c1ccc(/N=C2\c3ccccc3C(c3ccccc3)(c3ccccc3)N2c2ccccc2)cc1 ZINC000016477916 556611006 /nfs/dbraw/zinc/61/10/06/556611006.db2.gz ZNQUXGMLZVYFCW-QOSDPKFLSA-N 0 0 436.558 7.577 40 30 IKEBRN CCCCCOc1ccc(S(=O)(=O)Nc2ccccc2/C(=N/O)c2ccccc2)cc1 ZINC000100930315 556611670 /nfs/dbraw/zinc/61/16/70/556611670.db2.gz RWAHGZCXVIGHCG-OCOZRVBESA-N 0 0 438.549 5.283 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1OCC ZINC000408973474 556611900 /nfs/dbraw/zinc/61/19/00/556611900.db2.gz SPPCGHWOZZPJNB-WJDWOHSUSA-N 0 0 448.828 5.099 40 30 IKEBRN NC1=C(c2nc(-c3ccccc3)cs2)[C@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)O1 ZINC000016493310 556612819 /nfs/dbraw/zinc/61/28/19/556612819.db2.gz HCIXTRIMNIKJHO-HXUWFJFHSA-N 0 0 445.500 5.167 40 30 IKEBRN N#Cc1c2c(sc1/N=C/c1cn(Cc3ccc(Cl)cc3)c3ccccc13)CCCC2 ZINC000016525430 556614028 /nfs/dbraw/zinc/61/40/28/556614028.db2.gz SVSBCANSGHEGPM-CCVNUDIWSA-N 0 0 429.976 6.906 40 30 IKEBRN O=C(/C=C/Sc1c(Cl)c(Cl)nc(Cl)c1Cl)c1cccc2ccccc21 ZINC000016526195 556614391 /nfs/dbraw/zinc/61/43/91/556614391.db2.gz YYHDSVDPEZBUNW-CMDGGOBGSA-N 0 0 429.155 7.337 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C/n2c3ccccc3n(/C=N/c3ccc([N+](=O)[O-])cc3)c2=S)cc1 ZINC000016545135 556614702 /nfs/dbraw/zinc/61/47/02/556614702.db2.gz CBYKMAXZPOUOPT-MSKUYSOUSA-N 0 0 446.448 5.405 40 30 IKEBRN N#Cc1ccccc1COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 ZINC000408974337 556615327 /nfs/dbraw/zinc/61/53/27/556615327.db2.gz YAZBFMMERVGGGK-HMAPJEAMSA-N 0 0 447.416 5.486 40 30 IKEBRN CCOc1cc(/C=N/c2c(-c3ccc(O)c(OC)c3)nc3ccccn32)cc(Cl)c1O ZINC000408975581 556615646 /nfs/dbraw/zinc/61/56/46/556615646.db2.gz NLEYZTUVMFKEGY-DHRITJCHSA-N 0 0 437.883 5.224 40 30 IKEBRN CC1C2=C(CC(C)(C)CC2=O)N(c2ccc(Br)cc2)C2=C1C(=O)CC(C)(C)C2 ZINC000016608320 556617019 /nfs/dbraw/zinc/61/70/19/556617019.db2.gz AGMPYWKPNKUDOD-UHFFFAOYSA-N 0 0 442.397 6.192 40 30 IKEBRN CCC(=O)Nc1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccc(F)cc2)cc1 ZINC000016609906 556617316 /nfs/dbraw/zinc/61/73/16/556617316.db2.gz AYOGVCOFOQNCML-UVHMKAGCSA-N 0 0 445.321 6.811 40 30 IKEBRN CCC(=O)Nc1ccc(/N=C/c2cc(Br)cc(Br)c2OC)cc1 ZINC000016609903 556617364 /nfs/dbraw/zinc/61/73/64/556617364.db2.gz VRBLUZSGMFBVIF-KEBDBYFISA-N 0 0 440.135 5.319 40 30 IKEBRN CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1 ZINC000016609895 556617373 /nfs/dbraw/zinc/61/73/73/556617373.db2.gz YRFHSMKAQHRZLY-MFKUBSTISA-N 0 0 437.337 5.845 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408975776 556618874 /nfs/dbraw/zinc/61/88/74/556618874.db2.gz NCVUQFUSWWYBAY-AFUMVMLFSA-N 0 0 432.480 6.279 40 30 IKEBRN C=CCN(c1ccc(C(=O)NCCC2CCCCCC2)cc1)S(=O)(=O)c1ccccc1 ZINC000224377831 556621959 /nfs/dbraw/zinc/62/19/59/556621959.db2.gz DQQONFGZKXYQFP-UHFFFAOYSA-N 0 0 440.609 5.158 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2ccc(CCCC)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224375043 556622318 /nfs/dbraw/zinc/62/23/18/556622318.db2.gz MMVSEFFEIUAYEK-UHFFFAOYSA-N 0 0 448.588 5.663 40 30 IKEBRN O=C1c2ccccc2S/C1=C\c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408976151 556626754 /nfs/dbraw/zinc/62/67/54/556626754.db2.gz PRVOJVIFIPWPNG-FMCGGJTJSA-N 0 0 436.363 7.326 40 30 IKEBRN CCOc1ccc(Br)c(/C=N/c2ccc3oc(-c4ccccc4)nc3c2)c1O ZINC000016689338 556627311 /nfs/dbraw/zinc/62/73/11/556627311.db2.gz SRBMJRDAERVICJ-ZMOGYAJESA-N 0 0 437.293 6.112 40 30 IKEBRN CCOc1cccc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)c1OCc1ccccc1 ZINC000016693333 556627946 /nfs/dbraw/zinc/62/79/46/556627946.db2.gz NOZORJVWKNLIOR-VUTHCHCSSA-N 0 0 448.994 7.059 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000408976958 556629810 /nfs/dbraw/zinc/62/98/10/556629810.db2.gz UARHBPJXCBUYHM-VNSNFZHPSA-N 0 0 438.358 5.761 40 30 IKEBRN COc1ccc(CN=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)c(OC)c1 ZINC000408978334 556633584 /nfs/dbraw/zinc/63/35/84/556633584.db2.gz YUNILPUNAOZHMF-JVWAILMASA-N 0 0 443.572 6.557 40 30 IKEBRN Oc1ccc(Br)cc1/C=N\c1c(-c2ccc3ccccc3c2)nc2ccccn21 ZINC000101002583 556634609 /nfs/dbraw/zinc/63/46/09/556634609.db2.gz SZIVGTACOXHNSB-YSMPRRRNSA-N 0 0 442.316 6.373 40 30 IKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 ZINC000224564401 556636000 /nfs/dbraw/zinc/63/60/00/556636000.db2.gz UBSDKQHJPLKHCX-UHFFFAOYSA-N 0 0 438.574 5.326 40 30 IKEBRN C=C(C)COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)c1 ZINC000224564182 556636319 /nfs/dbraw/zinc/63/63/19/556636319.db2.gz DUVISBXWMIXWHO-UHFFFAOYSA-N 0 0 436.533 5.003 40 30 IKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)cc1 ZINC000408979165 556644080 /nfs/dbraw/zinc/64/40/80/556644080.db2.gz PJIBONOJISBLJV-PDGQHHTCSA-N 0 0 444.314 5.435 40 30 IKEBRN C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000224726833 556644064 /nfs/dbraw/zinc/64/40/64/556644064.db2.gz IFNJSTHCCYMOKG-UHFFFAOYSA-N 0 0 444.350 5.623 40 30 IKEBRN COc1cc(/C=N/O)c(Br)c(Br)c1OCc1ccccc1Cl ZINC000013915450 556661720 /nfs/dbraw/zinc/66/17/20/556661720.db2.gz LNHSYMFUIDWPSJ-FBCYGCLPSA-N 0 0 449.526 5.261 40 30 IKEBRN O=C1N/C(=N\c2cccc3ccccc32)S/C1=C/c1cc(Br)ccc1O ZINC000013914287 556662104 /nfs/dbraw/zinc/66/21/04/556662104.db2.gz OVRQBZRVUHDVND-WOJGMQOQSA-N 0 0 425.307 5.200 40 30 IKEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(C)=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000013914182 556662171 /nfs/dbraw/zinc/66/21/71/556662171.db2.gz AARDTOBHCWYFIL-NRFANRHFSA-N 0 0 449.334 5.188 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c2ccccc12 ZINC000083263228 556662899 /nfs/dbraw/zinc/66/28/99/556662899.db2.gz PRTGSTOLFKQYGR-WQRHYEAKSA-N 0 0 429.328 6.047 40 30 IKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1 ZINC000083299344 556663073 /nfs/dbraw/zinc/66/30/73/556663073.db2.gz OISDJJMMUZORAP-OYKKKHCWSA-N 0 0 425.872 5.672 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c2ccccc12 ZINC000083302980 556663236 /nfs/dbraw/zinc/66/32/36/556663236.db2.gz OTJGCGLEXCZTRA-UNOMPAQXSA-N 0 0 443.355 6.437 40 30 IKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000083309723 556663464 /nfs/dbraw/zinc/66/34/64/556663464.db2.gz IYBSATNRQLTGHW-WSDLNYQXSA-N 0 0 446.532 5.511 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000083309946 556663470 /nfs/dbraw/zinc/66/34/70/556663470.db2.gz PQDOAQWFNAVOLQ-BKUYFWCQSA-N 0 0 432.505 5.202 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\Cc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000083309968 556663507 /nfs/dbraw/zinc/66/35/07/556663507.db2.gz RSRZKZHJFFGQSI-OYKKKHCWSA-N 0 0 429.589 5.780 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N/Cc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000083309964 556663525 /nfs/dbraw/zinc/66/35/25/556663525.db2.gz IXBAABFMAYLEHK-QFEZKATASA-N 0 0 443.616 6.088 40 30 IKEBRN Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)c1 ZINC000083316821 556663870 /nfs/dbraw/zinc/66/38/70/556663870.db2.gz ZXVDCOSNSZQGPO-OYKKKHCWSA-N 0 0 446.547 5.782 40 30 IKEBRN O=S1(=O)CS/C(=N\C(=S)N(c2ccccc2)c2ccccc2)N1c1ccccc1 ZINC000017108299 556667640 /nfs/dbraw/zinc/66/76/40/556667640.db2.gz WHFLLSDSNHZKAX-DQRAZIAOSA-N 0 0 439.587 5.006 40 30 IKEBRN CCO/C(=N\c1ccc(C#N)cc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017139521 556669385 /nfs/dbraw/zinc/66/93/85/556669385.db2.gz RXUDBKMKUWJAFP-CCFHIKDMSA-N 0 0 448.591 7.308 40 30 IKEBRN C=CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224990611 556670436 /nfs/dbraw/zinc/67/04/36/556670436.db2.gz HWRQJGRIDXWHIA-UHFFFAOYSA-N 0 0 432.792 5.206 40 30 IKEBRN C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225057017 556676187 /nfs/dbraw/zinc/67/61/87/556676187.db2.gz JUXLIIOUBJVIQH-UHFFFAOYSA-N 0 0 425.859 5.893 40 30 IKEBRN CC[C@@H]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc3c(C)ccc(C)c3c21 ZINC000017837417 556679878 /nfs/dbraw/zinc/67/98/78/556679878.db2.gz ZASYPLFQBLFUIG-WLTRUERESA-N 0 0 432.480 6.377 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)cc1 ZINC000408758705 556681612 /nfs/dbraw/zinc/68/16/12/556681612.db2.gz PNNMDHCCXOXICY-XKZIYDEJSA-N 0 0 435.980 6.202 40 30 IKEBRN C=CCOc1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 ZINC000225366019 556682475 /nfs/dbraw/zinc/68/24/75/556682475.db2.gz HNAOUWNVDIVFCR-UHFFFAOYSA-N 0 0 427.422 5.778 40 30 IKEBRN C=CCOc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cc1C(F)(F)F ZINC000225955330 556682961 /nfs/dbraw/zinc/68/29/61/556682961.db2.gz XCDPNYTXDSHXKG-UHFFFAOYSA-N 0 0 437.461 5.946 40 30 IKEBRN C=CCOc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cn1 ZINC000225937707 556683055 /nfs/dbraw/zinc/68/30/55/556683055.db2.gz WLRXRHZJTIYZKC-UHFFFAOYSA-N 0 0 448.566 6.122 40 30 IKEBRN C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3OC)OC2)c2ccccc12 ZINC000225921321 556683414 /nfs/dbraw/zinc/68/34/14/556683414.db2.gz VTUKALQEMOTHLN-UHFFFAOYSA-N 0 0 433.504 5.104 40 30 IKEBRN C=CCOC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)[nH]c2c(Br)c1 ZINC000226344861 556684886 /nfs/dbraw/zinc/68/48/86/556684886.db2.gz TVKFBNPELPZUGW-UHFFFAOYSA-N 0 0 426.097 5.642 40 30 IKEBRN c1ccc(N=C2C=C(Nc3ccccc3)C(Nc3ccccc3)=CC2=Nc2ccccc2)cc1 ZINC000018146091 556684945 /nfs/dbraw/zinc/68/49/45/556684945.db2.gz IDDYUZBZSSUAGK-NUOLXNBNSA-N 0 0 440.550 7.537 40 30 IKEBRN S=C1/C(=N/c2ccccc2)N(c2ccccc2)/C(=N\c2ccccn2)N1c1ccccc1 ZINC000018156448 556685608 /nfs/dbraw/zinc/68/56/08/556685608.db2.gz NTFQVQVCZMCMMY-WDZXBNHGSA-N 0 0 433.540 6.154 40 30 IKEBRN CCCOC(=O)c1nc(N(CC2CCCCC2)C(=O)NC)sc1/N=C/c1ccccc1 ZINC000018212406 556687087 /nfs/dbraw/zinc/68/70/87/556687087.db2.gz RDBNCCPXPVIYCL-MFKUBSTISA-N 0 0 442.585 5.187 40 30 IKEBRN CCCOc1c(Br)cc(C=NNc2nc3ccccc3s2)cc1OCC ZINC000169890412 556690550 /nfs/dbraw/zinc/69/05/50/556690550.db2.gz CQHCWECBVOKLFE-MTJSOVHGSA-N 0 0 434.359 5.692 40 30 IKEBRN O=C1NC(=Nc2cccc3ccccc32)S/C1=C\c1ccc(Sc2ccccn2)o1 ZINC000408989007 556694474 /nfs/dbraw/zinc/69/44/74/556694474.db2.gz GLWBLMMSPMAPGV-RGEXLXHISA-N 0 0 429.526 5.871 40 30 IKEBRN COc1ccc(-c2ccc(C#N)c(SCC(=O)c3ccc4c(c3)-c3ccccc3C4)n2)cc1 ZINC000261526722 556698772 /nfs/dbraw/zinc/69/87/72/556698772.db2.gz HVZMIYYRTLZQRK-UHFFFAOYSA-N 0 0 448.547 6.175 40 30 IKEBRN CC(C)(C)[C@H]1CCc2nc(SCC(=O)Nc3cccc4ncccc43)c(C#N)cc2C1 ZINC000261526934 556698833 /nfs/dbraw/zinc/69/88/33/556698833.db2.gz QUJWGEPQYXRHIJ-SFHVURJKSA-N 0 0 430.577 5.383 40 30 IKEBRN CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000820510 556699420 /nfs/dbraw/zinc/69/94/20/556699420.db2.gz QPHQPYVLDBBADF-LJQANCHMSA-N 0 0 432.358 5.005 40 30 IKEBRN Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 ZINC000408991098 556706142 /nfs/dbraw/zinc/70/61/42/556706142.db2.gz ZAWYQTSHODQOMR-MTJSOVHGSA-N 0 0 438.310 6.225 40 30 IKEBRN CN(C)c1ccc(/C=C/C(=O)c2ccc3c(=O)n4c5ccccc5nc4c4cccc2c43)cc1 ZINC000019142472 556706834 /nfs/dbraw/zinc/70/68/34/556706834.db2.gz SVAOKHZJZDJQKS-SFQUDFHCSA-N 0 0 443.506 5.554 40 30 IKEBRN C=CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCC4)cc1Br ZINC000408992280 556708898 /nfs/dbraw/zinc/70/88/98/556708898.db2.gz SSIXHFIETCCLKU-UHFFFAOYSA-N 0 0 431.355 5.660 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)o3)S2)cc1 ZINC000408992995 556709301 /nfs/dbraw/zinc/70/93/01/556709301.db2.gz UJMIMDQMXZHUNH-ZHZULCJRSA-N 0 0 443.553 6.179 40 30 IKEBRN CCOc1cc(C=C2C(=O)CC(C)(C)CC2=O)ccc1OCc1cc(OC)ccc1OC ZINC000408993728 556709473 /nfs/dbraw/zinc/70/94/73/556709473.db2.gz XGPZTCKZTIKVMC-UHFFFAOYSA-N 0 0 438.520 5.023 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(Sc2cccc3cccnc32)o1 ZINC000408993858 556709513 /nfs/dbraw/zinc/70/95/13/556709513.db2.gz XKTDVQPSMGFCAE-RGEXLXHISA-N 0 0 429.526 5.871 40 30 IKEBRN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)o2)cc1Cl ZINC000409002377 556711677 /nfs/dbraw/zinc/71/16/77/556711677.db2.gz UECNZWNRUMYMAK-UNOMPAQXSA-N 0 0 438.892 5.278 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000409008687 556714180 /nfs/dbraw/zinc/71/41/80/556714180.db2.gz ZXRDLMARXCOGAA-OYKKKHCWSA-N 0 0 429.589 6.219 40 30 IKEBRN C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000409010674 556714849 /nfs/dbraw/zinc/71/48/49/556714849.db2.gz DFDQJMNDYZJZDL-TURZUDJPSA-N 0 0 444.600 6.975 40 30 IKEBRN O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)SC(=Nc2ccccc2)N1C[C@@H]1CCCO1 ZINC000409012173 556715598 /nfs/dbraw/zinc/71/55/98/556715598.db2.gz JDBCRWSFKKABSX-SMLZZZFOSA-N 0 0 448.519 5.869 40 30 IKEBRN CCOc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2C)cc1 ZINC000409014112 556716393 /nfs/dbraw/zinc/71/63/93/556716393.db2.gz FEHMTDUMOAJPOL-WJEPFGLZSA-N 0 0 429.501 5.451 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1Cl ZINC000409015644 556719610 /nfs/dbraw/zinc/71/96/10/556719610.db2.gz SUZGSTXBBDYAFK-LOXJRQKSSA-N 0 0 428.985 6.368 40 30 IKEBRN Cc1sc(N=NCc2ccc(OC(=O)c3c(F)cccc3F)cc2)nc1-c1ccccc1 ZINC000409018001 556720713 /nfs/dbraw/zinc/72/07/13/556720713.db2.gz GZBKYFQIUVWBFX-MZJWZYIUSA-N 0 0 449.482 6.062 40 30 IKEBRN CC(C)COc1ccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1 ZINC000409022670 556724415 /nfs/dbraw/zinc/72/44/15/556724415.db2.gz OTBSFXFBNFZAID-JVWAILMASA-N 0 0 438.637 6.475 40 30 IKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1Cl ZINC000409024934 556725932 /nfs/dbraw/zinc/72/59/32/556725932.db2.gz ZLSOAQXNTJOTMV-AFUMVMLFSA-N 0 0 431.001 6.102 40 30 IKEBRN Cc1c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cccc(C)c2n1Cc1ccccc1 ZINC000409029541 556728116 /nfs/dbraw/zinc/72/81/16/556728116.db2.gz AQYGHCXYVMKULP-OHUIHDMLSA-N 0 0 443.419 6.448 40 30 IKEBRN CC(C)COc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409031004 556728880 /nfs/dbraw/zinc/72/88/80/556728880.db2.gz GFNICBDIVGOPKK-ZXKDJJQISA-N 0 0 429.163 5.742 40 30 IKEBRN COC(=O)c1ccc(Cl)c(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 ZINC000409031100 556728896 /nfs/dbraw/zinc/72/88/96/556728896.db2.gz GNWQPSAHCHTCKZ-ONAMSPKSSA-N 0 0 446.706 5.101 40 30 IKEBRN Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc2ccccc2c1 ZINC000409031067 556728908 /nfs/dbraw/zinc/72/89/08/556728908.db2.gz GGTCEHNJJPRFGG-FXMZOFOKSA-N 0 0 431.355 5.961 40 30 IKEBRN CCCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2O)C2=C1CC(C)(C)CC2=O ZINC000409031402 556729491 /nfs/dbraw/zinc/72/94/91/556729491.db2.gz AMBQBTWSUPSVMM-UHFFFAOYSA-N 0 0 441.999 6.141 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000409032982 556730952 /nfs/dbraw/zinc/73/09/52/556730952.db2.gz CYWYDKGLPTZCLD-HCGXMYGOSA-N 0 0 433.121 5.423 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409035423 556744739 /nfs/dbraw/zinc/74/47/39/556744739.db2.gz SPXCCFFWJWTXTR-WAFGOLETSA-N 0 0 429.163 5.885 40 30 IKEBRN CCCCOc1ccc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409037143 556747209 /nfs/dbraw/zinc/74/72/09/556747209.db2.gz SGNATACHYCDZME-LIMNOBDPSA-N 0 0 439.169 5.342 40 30 IKEBRN CC[C@H](C)Oc1ccc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409038548 556748877 /nfs/dbraw/zinc/74/88/77/556748877.db2.gz PESCTAZZDVWRDW-AGAGKTNKSA-N 0 0 439.169 5.340 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O ZINC000409038589 556749108 /nfs/dbraw/zinc/74/91/08/556749108.db2.gz ABVXBOURXFFBGS-XDHOZWIPSA-N 0 0 445.899 5.126 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccccc1OCc1cccc2ccccc21 ZINC000409039018 556749336 /nfs/dbraw/zinc/74/93/36/556749336.db2.gz QHSJXQNRADEYKF-XKJRVUDJSA-N 0 0 444.350 6.133 40 30 IKEBRN C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl ZINC000409042665 556749839 /nfs/dbraw/zinc/74/98/39/556749839.db2.gz CAXJPJKBPYSXSU-UHFFFAOYSA-N 0 0 432.347 5.601 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409042710 556749924 /nfs/dbraw/zinc/74/99/24/556749924.db2.gz OICSKRQUHOLTSJ-BHGWPJFGSA-N 0 0 435.694 6.885 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1Cl ZINC000409050895 556754544 /nfs/dbraw/zinc/75/45/44/556754544.db2.gz CLKUDFFRSDRQTH-UYRXBGFRSA-N 0 0 433.888 5.159 40 30 IKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc([N+](=O)[O-])cc1 ZINC000409044874 556755329 /nfs/dbraw/zinc/75/53/29/556755329.db2.gz DVMOUQHEVXDKHX-VXLYETTFSA-N 0 0 442.107 5.659 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 ZINC000409045030 556755452 /nfs/dbraw/zinc/75/54/52/556755452.db2.gz XOLQLFUYKULMJL-BHGWPJFGSA-N 0 0 435.694 6.885 40 30 IKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cc(Cl)ccc2O)C2=C1CC(C)(C)CC2=O ZINC000409045935 556755613 /nfs/dbraw/zinc/75/56/13/556755613.db2.gz QDCHIEXCZZMKNW-UHFFFAOYSA-N 0 0 427.972 5.751 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000409053428 556757580 /nfs/dbraw/zinc/75/75/80/556757580.db2.gz CMPPMOIVJTZEBU-WQRHYEAKSA-N 0 0 432.328 5.550 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000409052492 556757609 /nfs/dbraw/zinc/75/76/09/556757609.db2.gz IAPLMPUANPHDSN-UNOMPAQXSA-N 0 0 429.925 5.458 40 30 IKEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O ZINC000409061961 556759407 /nfs/dbraw/zinc/75/94/07/556759407.db2.gz KPBOGYZIPHQISN-BOPFTXTBSA-N 0 0 448.725 5.355 40 30 IKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1ccc(N3CCOCC3)cc1)CCCC2 ZINC000409061458 556759484 /nfs/dbraw/zinc/75/94/84/556759484.db2.gz ZZZWNSGLLFEGQC-OVVQPSECSA-N 0 0 445.588 5.466 40 30 IKEBRN CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409062419 556759499 /nfs/dbraw/zinc/75/94/99/556759499.db2.gz UPGTYIWRXUJTID-NDENLUEZSA-N 0 0 426.925 5.627 40 30 IKEBRN CCCCOC(=O)c1ccc(-c2ccc(/C=N\c3sc4c(c3C#N)CCCC4)o2)cc1 ZINC000409063306 556759727 /nfs/dbraw/zinc/75/97/27/556759727.db2.gz KGGVSFMAOJDWEK-YUMHPJSZSA-N 0 0 432.545 6.466 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2F)C1=O ZINC000409064917 556760820 /nfs/dbraw/zinc/76/08/20/556760820.db2.gz JEPICJDZYQNUMW-WOJGMQOQSA-N 0 0 448.313 5.390 40 30 IKEBRN CC(C)(C)[C@H]1C[C@H](C(C)(C)C)C2=C1OC(=O)[C@]1(C(=O)[C@H](C(C)(C)C)C[C@H]1C(C)(C)C)C2=O ZINC000409066050 556761656 /nfs/dbraw/zinc/76/16/56/556761656.db2.gz VMDSRARXVSWQPD-DFONKUQQSA-N 0 0 444.656 6.379 40 30 IKEBRN Cc1cccc(COc2ccc(CN=Nc3ncccc3[N+](=O)[O-])cc2Br)c1 ZINC000409069970 556774245 /nfs/dbraw/zinc/77/42/45/556774245.db2.gz MMAIYNCKRNVSML-FSJBWODESA-N 0 0 441.285 5.086 40 30 IKEBRN CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccc(OC)cc3)C2=O)c1C ZINC000409071023 556774484 /nfs/dbraw/zinc/77/44/84/556774484.db2.gz PTBFPFDAJORJAZ-GCNWNYGFSA-N 0 0 445.588 5.938 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)C1=O ZINC000409071613 556774489 /nfs/dbraw/zinc/77/44/89/556774489.db2.gz KPVBNKOOFBHMCM-DEDYPNTBSA-N 0 0 443.952 5.848 40 30 IKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc(Sc3ccc(Cl)cc3)cc2)cc1 ZINC000409070772 556774524 /nfs/dbraw/zinc/77/45/24/556774524.db2.gz GTZMZDBZKFJDOQ-MTDXEUNCSA-N 0 0 445.971 8.043 40 30 IKEBRN C=CCc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(OC)c1OCCC ZINC000409070300 556774562 /nfs/dbraw/zinc/77/45/62/556774562.db2.gz LMQPZBPXJNQLAC-UHFFFAOYSA-N 0 0 435.564 5.256 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409070597 556774591 /nfs/dbraw/zinc/77/45/91/556774591.db2.gz ZZQJNUKGXRVTIR-IPBVOBEMSA-N 0 0 443.498 5.766 40 30 IKEBRN CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409071534 556774596 /nfs/dbraw/zinc/77/45/96/556774596.db2.gz GVVDTWPCHKXCMV-YBFXNURJSA-N 0 0 442.924 5.246 40 30 IKEBRN C#CCOc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409071425 556774607 /nfs/dbraw/zinc/77/46/07/556774607.db2.gz OFUVHWKKBVVMFG-NUGSKGIGSA-N 0 0 432.185 5.378 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(F)c2)C1=O ZINC000409072301 556774729 /nfs/dbraw/zinc/77/47/29/556774729.db2.gz JPXKWCMUGDOIRX-WOJGMQOQSA-N 0 0 448.313 5.390 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O ZINC000409072487 556774850 /nfs/dbraw/zinc/77/48/50/556774850.db2.gz CHRXMNCGYRPRKH-HZHRSRAPSA-N 0 0 431.513 5.650 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C1=O ZINC000409074016 556775996 /nfs/dbraw/zinc/77/59/96/556775996.db2.gz JLXSUXZAQWBPNF-WOJGMQOQSA-N 0 0 431.355 5.387 40 30 IKEBRN C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(OCC)c1O ZINC000409074065 556776128 /nfs/dbraw/zinc/77/61/28/556776128.db2.gz JYAHRJAWWFZOPS-UHFFFAOYSA-N 0 0 449.591 5.493 40 30 IKEBRN COC(=O)c1ccc(C)c(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cn3)c2C)c1 ZINC000409075813 556776807 /nfs/dbraw/zinc/77/68/07/556776807.db2.gz UNBCCGISWFNSEW-LUOAPIJWSA-N 0 0 430.430 5.049 40 30 IKEBRN Cc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cc1[N+](=O)[O-] ZINC000409077590 556777784 /nfs/dbraw/zinc/77/77/84/556777784.db2.gz GBJJJMXIYBSDFG-MAFAOTQISA-N 0 0 447.560 6.998 40 30 IKEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000409076415 556779784 /nfs/dbraw/zinc/77/97/84/556779784.db2.gz BFUKIMDKRJCYJG-STZFKDTASA-N 0 0 433.891 5.662 40 30 IKEBRN COc1cc(C)c(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1OC ZINC000409076712 556780630 /nfs/dbraw/zinc/78/06/30/556780630.db2.gz BWWWOWAVPPQLKT-IKQKJRAVSA-N 0 0 444.984 5.926 40 30 IKEBRN Cc1cc(C)c2cc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nc2c1 ZINC000001354432 556781850 /nfs/dbraw/zinc/78/18/50/556781850.db2.gz FOVRXQPDEZEBMD-UHFFFAOYSA-N 0 0 432.574 5.266 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccccc3O)c2C(=O)Nc2ccccc2)C1 ZINC000409078636 556782436 /nfs/dbraw/zinc/78/24/36/556782436.db2.gz HSDQQOJJGIAXQM-GEGDGZKASA-N 0 0 432.589 6.608 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(Sc2ccc(Cl)cc2)o1 ZINC000409078903 556783120 /nfs/dbraw/zinc/78/31/20/556783120.db2.gz DWKSQTVJPMIVOM-RMORIDSASA-N 0 0 441.818 6.457 40 30 IKEBRN Cc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c(C)n1C ZINC000409078467 556785608 /nfs/dbraw/zinc/78/56/08/556785608.db2.gz IGUBBEWZRCOJMB-URWSDTSISA-N 0 0 447.648 6.857 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(O)cc3)c2C(=O)NCc2ccco2)C1 ZINC000409080091 556789149 /nfs/dbraw/zinc/78/91/49/556789149.db2.gz LDNKKIQOKUOBMS-MWQSPYHUSA-N 0 0 436.577 5.878 40 30 IKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OCC)c1OCc1ccccc1 ZINC000409082068 556789515 /nfs/dbraw/zinc/78/95/15/556789515.db2.gz RMTCRLFEFWFVFC-ULJHMMPZSA-N 0 0 439.511 5.737 40 30 IKEBRN C#CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000409084252 556789762 /nfs/dbraw/zinc/78/97/62/556789762.db2.gz XJCUOHFXNDCWHD-QNGOZBTKSA-N 0 0 447.321 5.840 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccccc3OCc3ccccc3F)sc2C1 ZINC000409082397 556789782 /nfs/dbraw/zinc/78/97/82/556789782.db2.gz JCKYTGSDDNGRSM-MKCCAMSKSA-N 0 0 446.591 7.239 40 30 IKEBRN COc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000409084362 556790073 /nfs/dbraw/zinc/79/00/73/556790073.db2.gz BIQAQPHMPUGISA-ROTLSHHCSA-N 0 0 428.941 5.563 40 30 IKEBRN CCOc1cc(/C=N/O)cc(I)c1OCc1ccc2ccccc2c1 ZINC000409084875 556790194 /nfs/dbraw/zinc/79/01/94/556790194.db2.gz XUQMUWGAQZAIGR-WSDLNYQXSA-N 0 0 447.272 5.230 40 30 IKEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000409083544 556790324 /nfs/dbraw/zinc/79/03/24/556790324.db2.gz VGWTVGUFBLCOEK-UQQQWYQISA-N 0 0 449.506 6.162 40 30 IKEBRN CCOc1cc(/C=N/O)cc(Br)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409085380 556790501 /nfs/dbraw/zinc/79/05/01/556790501.db2.gz YYOMSOQXXKQKPZ-ODCIPOBUSA-N 0 0 449.179 5.375 40 30 IKEBRN CCCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409084935 556790771 /nfs/dbraw/zinc/79/07/71/556790771.db2.gz YNGMIJZVGSMCSS-PJLCQNFYSA-N 0 0 444.644 7.853 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(OCc4ccc(F)cc4)cc3)sc2C1 ZINC000409087268 556791234 /nfs/dbraw/zinc/79/12/34/556791234.db2.gz BXWOQGIXTUKHMO-MKCCAMSKSA-N 0 0 446.591 7.239 40 30 IKEBRN COC(=O)c1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 ZINC000409087829 556791802 /nfs/dbraw/zinc/79/18/02/556791802.db2.gz HXDNRCSJTQJUFY-QLIPUSLZSA-N 0 0 428.941 5.387 40 30 IKEBRN C=CCc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(OCC)c1OCc1ccccc1 ZINC000409089523 556792283 /nfs/dbraw/zinc/79/22/83/556792283.db2.gz NYIRPGSPGIDSBR-WGOQTCKBSA-N 0 0 432.480 5.142 40 30 IKEBRN C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 ZINC000409092871 556792791 /nfs/dbraw/zinc/79/27/91/556792791.db2.gz WKWFBZOUUFKCIQ-SXZIKPQKSA-N 0 0 426.969 6.165 40 30 IKEBRN Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(OCc2ccccc2)cc1 ZINC000409093909 556793642 /nfs/dbraw/zinc/79/36/42/556793642.db2.gz BONKPSLGYJNFMR-JVWAILMASA-N 0 0 441.491 5.422 40 30 IKEBRN CCOc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)OCO2 ZINC000409093830 556793748 /nfs/dbraw/zinc/79/37/48/556793748.db2.gz APHVAQHDFALQGU-WRIATZMJSA-N 0 0 444.512 5.623 40 30 IKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1Cl ZINC000409094987 556794295 /nfs/dbraw/zinc/79/42/95/556794295.db2.gz GQWWWNHWBFGUKU-KVSWJAHQSA-N 0 0 449.860 6.178 40 30 IKEBRN Cc1ccc(COc2c(Cl)cc(CN=Nc3ncccc3[N+](=O)[O-])cc2Cl)cc1 ZINC000409097954 556795119 /nfs/dbraw/zinc/79/51/19/556795119.db2.gz OYCWKIBQJBCVMW-BHGWPJFGSA-N 0 0 431.279 5.630 40 30 IKEBRN CCOc1cc(OCC)c(C=NNc2ccc(C(F)(F)F)cn2)cc1Br ZINC000409103267 556796170 /nfs/dbraw/zinc/79/61/70/556796170.db2.gz GGFVMYSKKNLYDA-NUGSKGIGSA-N 0 0 432.240 5.106 40 30 IKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1 ZINC000409099825 556796320 /nfs/dbraw/zinc/79/63/20/556796320.db2.gz UIMJLXGPZKYWBF-ZMOGYAJESA-N 0 0 426.860 5.067 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2cccc(C(F)(F)F)c2)o1 ZINC000409100647 556796699 /nfs/dbraw/zinc/79/66/99/556796699.db2.gz RGKVMMIWMIQAIZ-NSKAYECMSA-N 0 0 443.303 6.338 40 30 IKEBRN COC(=O)c1cccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cn3)c2C)c1C ZINC000409105692 556796949 /nfs/dbraw/zinc/79/69/49/556796949.db2.gz JDNFKNPUIKCICH-LUOAPIJWSA-N 0 0 430.430 5.049 40 30 IKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1cccc(C)c1 ZINC000409104540 556797785 /nfs/dbraw/zinc/79/77/85/556797785.db2.gz JPGGZQZTNFFNSE-IPBVOBEMSA-N 0 0 449.860 6.096 40 30 IKEBRN CCn1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(Cc3ccco3)C2=O)c1C ZINC000409107826 556798838 /nfs/dbraw/zinc/79/88/38/556798838.db2.gz RCALLEZUYBLUCP-OJVQYLDISA-N 0 0 435.549 5.531 40 30 IKEBRN Cc1ccc(COc2ccc(Br)cc2CN=Nc2ncccc2[N+](=O)[O-])cc1 ZINC000409107918 556798890 /nfs/dbraw/zinc/79/88/90/556798890.db2.gz YDEJWVFCUYXZJG-FSJBWODESA-N 0 0 441.285 5.086 40 30 IKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1cccc2ccccc21 ZINC000409109467 556799726 /nfs/dbraw/zinc/79/97/26/556799726.db2.gz FNIBQVKMTGRJFY-UHFFFAOYSA-N 0 0 439.555 6.777 40 30 IKEBRN C=CCOc1c(Br)cc(/C=C2/c3ccccc3N(CC)C2=O)cc1OCC ZINC000409109927 556800266 /nfs/dbraw/zinc/80/02/66/556800266.db2.gz OAGYJNUXFXJZRA-ATVHPVEESA-N 0 0 428.326 5.320 40 30 IKEBRN O=[N+]([O-])c1ccc(Sc2ccccc2)c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409110055 556800287 /nfs/dbraw/zinc/80/02/87/556800287.db2.gz QJRMEMCMJQYLSS-UDWIEESQSA-N 0 0 439.409 5.008 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409111257 556801809 /nfs/dbraw/zinc/80/18/09/556801809.db2.gz BBEIVGWONKWDRC-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCc1ccccc1F ZINC000409113582 556803632 /nfs/dbraw/zinc/80/36/32/556803632.db2.gz HPIXDLCNIPDOIQ-UHFFFAOYSA-N 0 0 439.958 7.106 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccccc1Cl ZINC000409113211 556803695 /nfs/dbraw/zinc/80/36/95/556803695.db2.gz HCHHHBDQFJYBQP-OPEKNORGSA-N 0 0 436.821 6.121 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccccc1CC ZINC000409115827 556807155 /nfs/dbraw/zinc/80/71/55/556807155.db2.gz HQICLQIWTSJNHM-UHFFFAOYSA-N 0 0 425.164 5.951 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409117976 556810170 /nfs/dbraw/zinc/81/01/70/556810170.db2.gz PRBJFJWWMJFKKK-UHFFFAOYSA-N 0 0 432.520 6.140 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409118424 556811949 /nfs/dbraw/zinc/81/19/49/556811949.db2.gz ZQOKZNOVFKEZDJ-UHFFFAOYSA-N 0 0 437.583 7.467 40 30 IKEBRN O=C(Cn1cc(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc21)Nc1ccccc1 ZINC000409118351 556811993 /nfs/dbraw/zinc/81/19/93/556811993.db2.gz QCMOENHGYRMWDY-KVSWJAHQSA-N 0 0 437.425 5.140 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1cc(C)ccc1C ZINC000409120492 556814399 /nfs/dbraw/zinc/81/43/99/556814399.db2.gz WHOYAADDQYRDKU-UHFFFAOYSA-N 0 0 425.164 6.005 40 30 IKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccccc1Cl ZINC000409121768 556815430 /nfs/dbraw/zinc/81/54/30/556815430.db2.gz WHSCNQXSSQGREL-UHFFFAOYSA-N 0 0 435.995 7.221 40 30 IKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409122260 556815897 /nfs/dbraw/zinc/81/58/97/556815897.db2.gz ZTVLZCFNNLKYIY-UHFFFAOYSA-N 0 0 446.547 6.530 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4C)c3C)S2)cc1 ZINC000408764951 556829299 /nfs/dbraw/zinc/82/92/99/556829299.db2.gz ULUZDTUXLSTLCS-IWIPYMOSSA-N 0 0 429.589 6.165 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(C)cc(C)c4)NC3=O)c2C)cc1 ZINC000408766085 556829711 /nfs/dbraw/zinc/82/97/11/556829711.db2.gz ZFXKBYOAFZQXAU-IWIPYMOSSA-N 0 0 429.589 6.165 40 30 IKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1ccc(I)cc1 ZINC000006280298 556831063 /nfs/dbraw/zinc/83/10/63/556831063.db2.gz HSXQPNUMGKYBCC-YDZHTSKRSA-N 0 0 428.317 6.066 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000409127122 556836265 /nfs/dbraw/zinc/83/62/65/556836265.db2.gz GXHXDOXMKZIGHC-LFVJCYFKSA-N 0 0 441.556 5.635 40 30 IKEBRN O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)Nc1ccccc1Cl ZINC000006552182 556837422 /nfs/dbraw/zinc/83/74/22/556837422.db2.gz YDVBSBXXEWWMDK-UHFFFAOYSA-N 0 0 425.901 5.015 40 30 IKEBRN C=CCN1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C(=O)OCCCC)cc3)c2C)C1=O ZINC000409130380 556841812 /nfs/dbraw/zinc/84/18/12/556841812.db2.gz HQDKQVCLJKNWHV-QNGOZBTKSA-N 0 0 438.549 5.273 40 30 IKEBRN C=CCc1cc(CNc2ccccc2)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409130458 556841840 /nfs/dbraw/zinc/84/18/40/556841840.db2.gz HPFHTCGZBQRCKN-UHFFFAOYSA-N 0 0 438.365 6.377 40 30 IKEBRN COc1cccc(-c2csc(N3CCN(C(=S)Nc4ccc(Cl)cc4)CC3)n2)c1 ZINC000008685999 556844848 /nfs/dbraw/zinc/84/48/48/556844848.db2.gz QXAYFXNFJKPWLE-UHFFFAOYSA-N 0 0 445.013 5.212 40 30 IKEBRN COc1cccc(-c2csc(N3CCN(C(=S)Nc4ccccc4Cl)CC3)n2)c1 ZINC000008686001 556844864 /nfs/dbraw/zinc/84/48/64/556844864.db2.gz ODTAEOWKFQKONH-UHFFFAOYSA-N 0 0 445.013 5.212 40 30 aggregator IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccccc3Br)c2C)cc1 ZINC000408768821 556846876 /nfs/dbraw/zinc/84/68/76/556846876.db2.gz JYBMOEXCLHWFAG-OYKKKHCWSA-N 0 0 425.326 5.784 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl ZINC000408768662 556846896 /nfs/dbraw/zinc/84/68/96/556846896.db2.gz ZVZXATYCGKCRKD-CNEDASOKSA-N 0 0 435.376 5.720 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 ZINC000408772386 556847555 /nfs/dbraw/zinc/84/75/55/556847555.db2.gz LFVBTYHVGBVYBG-YVLHZVERSA-N 0 0 449.746 6.798 40 30 IKEBRN CCCCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)c4ccccc4C3=O)c2C)cc1 ZINC000409133832 556847691 /nfs/dbraw/zinc/84/76/91/556847691.db2.gz QPDAKDIPRXEYBT-UHFFFAOYSA-N 0 0 427.500 5.514 40 30 IKEBRN C=CCOc1ccccc1/C=N/c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000408776763 556847648 /nfs/dbraw/zinc/84/76/48/556847648.db2.gz QLKGKDPQMCNZIW-MTDXEUNCSA-N 0 0 430.573 5.872 40 30 IKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408772486 556847950 /nfs/dbraw/zinc/84/79/50/556847950.db2.gz LYDGUVBODKQRFC-PCLIKHOPSA-N 0 0 438.369 5.444 40 30 IKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c(C)c1 ZINC000408774109 556848133 /nfs/dbraw/zinc/84/81/33/556848133.db2.gz AADYBDCDVBQZDV-ZMOGYAJESA-N 0 0 425.326 5.702 40 30 IKEBRN Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408774475 556848455 /nfs/dbraw/zinc/84/84/55/556848455.db2.gz LPDUJGGIKDOKFE-MTJSOVHGSA-N 0 0 445.260 5.358 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC ZINC000408777532 556848728 /nfs/dbraw/zinc/84/87/28/556848728.db2.gz BKUNHBMMZIOLHA-CBIIRDDDSA-N 0 0 444.984 5.466 40 30 IKEBRN CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(CC(=O)N3CCCC[C@H]3C)c21 ZINC000409136973 556849667 /nfs/dbraw/zinc/84/96/67/556849667.db2.gz SSAWXKWEYSSHLA-GOSISDBHSA-N 0 0 440.543 5.067 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408779426 556853981 /nfs/dbraw/zinc/85/39/81/556853981.db2.gz WSGNXAYIBVOIGO-JLPGSUDCSA-N 0 0 443.616 6.592 40 30 IKEBRN Cc1cc(/C=N/c2ccc(C)c(C)c2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408780152 556854363 /nfs/dbraw/zinc/85/43/63/556854363.db2.gz TYKPSWXXKJPDGR-ZMOGYAJESA-N 0 0 442.344 6.375 40 30 IKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)c2c1 ZINC000408782005 556854663 /nfs/dbraw/zinc/85/46/63/556854663.db2.gz UZQDUKWTJAXPHC-IWIPYMOSSA-N 0 0 446.572 6.146 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(Br)s1 ZINC000408785816 556855838 /nfs/dbraw/zinc/85/58/38/556855838.db2.gz ZPGPQDDZCPICRL-POHAHGRESA-N 0 0 434.167 5.709 40 30 IKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408785609 556855839 /nfs/dbraw/zinc/85/58/39/556855839.db2.gz ABDLWDNJFCRIHR-FMCGGJTJSA-N 0 0 448.735 6.411 40 30 IKEBRN CC(=O)c1cccc(N=Cc2cc(C)n(-c3ccc(I)cc3)c2C)c1 ZINC000408786795 556856412 /nfs/dbraw/zinc/85/64/12/556856412.db2.gz NUTYOKMPQLOEPG-YDZHTSKRSA-N 0 0 442.300 5.652 40 30 IKEBRN Cc1cc(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408787129 556856756 /nfs/dbraw/zinc/85/67/56/556856756.db2.gz RWLLTKNLZFITRO-WPWMEQJKSA-N 0 0 435.409 7.655 40 30 IKEBRN Cc1ccc(S(=O)(=O)NCc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)o2)cc1 ZINC000408791538 556857258 /nfs/dbraw/zinc/85/72/58/556857258.db2.gz ZWANSFDLVREXRO-YZSQISJMSA-N 0 0 446.528 5.609 40 30 IKEBRN COc1cc(/C=N/c2sc(C)c(C)c2C#N)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408806463 556858865 /nfs/dbraw/zinc/85/88/65/556858865.db2.gz AVMGSPHPLQWYBS-KBKYJPHKSA-N 0 0 445.371 6.882 40 30 IKEBRN C=CCc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc(OCC)c1O ZINC000408806857 556859091 /nfs/dbraw/zinc/85/90/91/556859091.db2.gz BZOVCHFQQYYRFJ-UHFFFAOYSA-N 0 0 429.949 5.244 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O ZINC000408807353 556859345 /nfs/dbraw/zinc/85/93/45/556859345.db2.gz BWSRXTBSXRUGSV-YVLHZVERSA-N 0 0 449.757 5.559 40 30 IKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N\c2cccc(Br)c2)cc1 ZINC000408802254 556859477 /nfs/dbraw/zinc/85/94/77/556859477.db2.gz YRNRMRIZHJUAOL-OYKKKHCWSA-N 0 0 439.309 5.226 40 30 IKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2OCC#N)SC1Nc1ccccc1 ZINC000408805499 556860822 /nfs/dbraw/zinc/86/08/22/556860822.db2.gz KTPHKVGPVFQCBO-UXJZJMJTSA-N 0 0 432.569 5.643 40 30 IKEBRN O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)Nc1ccccc1Cl ZINC000408805957 556860962 /nfs/dbraw/zinc/86/09/62/556860962.db2.gz CZNQHOOCFATZNE-ROTLSHHCSA-N 0 0 433.722 6.415 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408810591 556862159 /nfs/dbraw/zinc/86/21/59/556862159.db2.gz KAJZHJRFZCHEOS-JLPGSUDCSA-N 0 0 445.515 6.374 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCc1cccc2ccccc21 ZINC000408810440 556862162 /nfs/dbraw/zinc/86/21/62/556862162.db2.gz KMCPOLMVYAGGCV-HAHDFKILSA-N 0 0 445.540 5.822 40 30 IKEBRN C=CCn1c(C)c([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000408809703 556862169 /nfs/dbraw/zinc/86/21/69/556862169.db2.gz HPLOYKHLDRQARP-SSEXGKCCSA-N 0 0 446.594 7.598 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F ZINC000408811337 556862520 /nfs/dbraw/zinc/86/25/20/556862520.db2.gz LCFJBUVTWWHJDE-JLPGSUDCSA-N 0 0 445.515 6.374 40 30 IKEBRN C[C@H](NC(=O)COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 ZINC000408813441 556862724 /nfs/dbraw/zinc/86/27/24/556862724.db2.gz NGPCOVIQRIKJBB-IMVGLAPISA-N 0 0 427.331 6.000 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc(F)cc3)c3ccccc23)c([N+](=O)[O-])c1 ZINC000408811533 556862737 /nfs/dbraw/zinc/86/27/37/556862737.db2.gz LMNATMALVOWSQG-WYMPLXKRSA-N 0 0 433.399 5.091 40 30 IKEBRN Cc1c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc2n1C ZINC000408815856 556863179 /nfs/dbraw/zinc/86/31/79/556863179.db2.gz SPPCWLIHINRANP-JVWAILMASA-N 0 0 427.573 6.430 40 30 IKEBRN COc1cc(C=NNc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408815860 556863214 /nfs/dbraw/zinc/86/32/14/556863214.db2.gz VJDXXIQIAABIEJ-BRJLIKDPSA-N 0 0 435.738 6.680 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408815891 556863278 /nfs/dbraw/zinc/86/32/78/556863278.db2.gz STQPBKFTHPRBOU-NHDPSOOVSA-N 0 0 439.943 6.087 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)Nc1ccccc1 ZINC000408816928 556863883 /nfs/dbraw/zinc/86/38/83/556863883.db2.gz SPWYPSTUQPLKMK-CFRMEGHHSA-N 0 0 427.273 5.356 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl ZINC000408816666 556863939 /nfs/dbraw/zinc/86/39/39/556863939.db2.gz JZFMZNCKUMIXKH-GRSHGNNSSA-N 0 0 434.344 5.967 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O ZINC000408817820 556864172 /nfs/dbraw/zinc/86/41/72/556864172.db2.gz OBCDDABKNKULRG-HMAPJEAMSA-N 0 0 432.932 5.705 40 30 IKEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O ZINC000408818411 556864428 /nfs/dbraw/zinc/86/44/28/556864428.db2.gz XWWPEKDXDACULW-BOPFTXTBSA-N 0 0 447.741 5.006 40 30 IKEBRN C[C@@H](NC(=O)COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408819075 556864732 /nfs/dbraw/zinc/86/47/32/556864732.db2.gz YBSXWIMOHKIKRP-FOCLHDTISA-N 0 0 426.438 5.712 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)S2)c1 ZINC000408814103 556865224 /nfs/dbraw/zinc/86/52/24/556865224.db2.gz RLCUSEZZCDRFTG-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408819427 556865804 /nfs/dbraw/zinc/86/58/04/556865804.db2.gz QTTWEMMTGFCLDG-BOPFTXTBSA-N 0 0 449.757 5.559 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408820167 556866063 /nfs/dbraw/zinc/86/60/63/556866063.db2.gz VSVZEERLYDFBRP-JLPGSUDCSA-N 0 0 445.515 6.374 40 30 IKEBRN COc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000408844229 556868346 /nfs/dbraw/zinc/86/83/46/556868346.db2.gz BOKHPNWNIXCOTN-LQKURTRISA-N 0 0 444.556 6.062 40 30 IKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 ZINC000408844913 556868597 /nfs/dbraw/zinc/86/85/97/556868597.db2.gz JCUALCWFQCFLGI-DSRUXAPKSA-N 0 0 445.415 7.176 40 30 IKEBRN O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000408848456 556868610 /nfs/dbraw/zinc/86/86/10/556868610.db2.gz ZEAHKDYFVSRCJH-DSTPSKMHSA-N 0 0 449.579 6.150 40 30 IKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2ccc(N3CCOCC3)o2)sc2c1CCCC2 ZINC000408846592 556868923 /nfs/dbraw/zinc/86/89/23/556868923.db2.gz QFIATTOSPZKVMN-XYGWBWBKSA-N 0 0 435.549 5.059 40 30 IKEBRN COC(=O)c1cc(/N=C/c2c(C)n(-c3ccccc3)c(C)c2Br)ccc1Cl ZINC000408847140 556869126 /nfs/dbraw/zinc/86/91/26/556869126.db2.gz PKYWCHFKJFRYTP-WYMPLXKRSA-N 0 0 445.744 6.047 40 30 IKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408847685 556869540 /nfs/dbraw/zinc/86/95/40/556869540.db2.gz RBYOEIJEWIJACO-ROTLSHHCSA-N 0 0 444.318 6.543 40 30 IKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)S2)c1 ZINC000408851443 556870894 /nfs/dbraw/zinc/87/08/94/556870894.db2.gz KAJQHROXTHIYJK-BOPFTXTBSA-N 0 0 446.370 5.151 40 30 IKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC ZINC000408851508 556870932 /nfs/dbraw/zinc/87/09/32/556870932.db2.gz KUPRFUOGSZFTJM-QQXSKIMKSA-N 0 0 434.561 6.037 40 30 IKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(Br)cc1 ZINC000408851269 556871002 /nfs/dbraw/zinc/87/10/02/556871002.db2.gz XBWFUCPNDIEYCQ-UHFFFAOYSA-N 0 0 447.328 6.108 40 30 IKEBRN CC(C)(C)c1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408857526 556871148 /nfs/dbraw/zinc/87/11/48/556871148.db2.gz KHJFNFUZYYHOHN-BMMDDBMZSA-N 0 0 436.596 7.060 40 30 IKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000408858478 556871482 /nfs/dbraw/zinc/87/14/82/556871482.db2.gz SLEOORSLLMMQIG-FIKYGGOLSA-N 0 0 448.813 8.111 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2cccc(I)c2)c1C ZINC000408854518 556871630 /nfs/dbraw/zinc/87/16/30/556871630.db2.gz HGFPQKNZLJYSDK-OYKKKHCWSA-N 0 0 442.344 6.320 40 30 IKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)S1 ZINC000408860082 556872143 /nfs/dbraw/zinc/87/21/43/556872143.db2.gz RRUDRNIXCMJCGM-MTJSOVHGSA-N 0 0 437.952 5.648 40 30 IKEBRN CCCCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1OC ZINC000408861638 556872404 /nfs/dbraw/zinc/87/24/04/556872404.db2.gz UGOIUIQAYZDYGE-MOSHPQCFSA-N 0 0 430.957 5.728 40 30 IKEBRN CCOC(=O)Oc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1OC ZINC000408861702 556872487 /nfs/dbraw/zinc/87/24/87/556872487.db2.gz FYRLALCXMZPWPM-ZDLGFXPLSA-N 0 0 446.912 5.084 40 30 IKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)S1 ZINC000408861948 556872520 /nfs/dbraw/zinc/87/25/20/556872520.db2.gz VRXKXJQDZMOUPC-GRSHGNNSSA-N 0 0 432.929 5.036 40 30 IKEBRN CCCCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1OC ZINC000408863243 556872641 /nfs/dbraw/zinc/87/26/41/556872641.db2.gz QMRLCGDBYLMPIB-NDENLUEZSA-N 0 0 430.957 5.728 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1O ZINC000408859237 556873091 /nfs/dbraw/zinc/87/30/91/556873091.db2.gz RGNFSMATMMBLFT-GCTLURRCSA-N 0 0 436.577 5.974 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1cn(CCOc2ccc(Cl)cc2)c2ccccc12 ZINC000409140336 556873528 /nfs/dbraw/zinc/87/35/28/556873528.db2.gz DAHABZDCNVGHAX-UHFFFAOYSA-N 0 0 427.887 5.836 40 30 IKEBRN COc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409141057 556873564 /nfs/dbraw/zinc/87/35/64/556873564.db2.gz LNOBUWOGASPPHJ-KBKYJPHKSA-N 0 0 429.303 6.413 40 30 IKEBRN C=CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3C)c3ccccc23)C1=O ZINC000409143220 556873797 /nfs/dbraw/zinc/87/37/97/556873797.db2.gz ZRTUSEXKIWCLCV-KQWNVCNZSA-N 0 0 432.545 5.641 40 30 IKEBRN C#CCN1C(=O)S/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C1=O ZINC000409143406 556873814 /nfs/dbraw/zinc/87/38/14/556873814.db2.gz BYHKTSOWBBSGHD-KQWNVCNZSA-N 0 0 430.529 5.088 40 30 IKEBRN C#CCOc1c(Cl)cc(C[C@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409145873 556874442 /nfs/dbraw/zinc/87/44/42/556874442.db2.gz SFGHYBQMULGHBH-MRXNPFEDSA-N 0 0 440.735 5.470 40 30 IKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C1=O)OCO2 ZINC000408870175 556874592 /nfs/dbraw/zinc/87/45/92/556874592.db2.gz SBEOMOYNNLSJGH-WUZWZOCBSA-N 0 0 434.561 5.906 40 30 IKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408879805 556876060 /nfs/dbraw/zinc/87/60/60/556876060.db2.gz GUIDDNCHDIQFGZ-LSDFYIEESA-N 0 0 436.552 6.327 40 30 IKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408884391 556877764 /nfs/dbraw/zinc/87/77/64/556877764.db2.gz UHHVJWXDZIKZMG-VPSQUZRUSA-N 0 0 432.589 6.434 40 30 IKEBRN O=C(NCc1ccccc1)c1c2c(sc1/N=C/c1ccc(OC(F)F)cc1)CCCC2 ZINC000409154830 556879263 /nfs/dbraw/zinc/87/92/63/556879263.db2.gz OPRLPBKYNMAWDA-RWPZCVJISA-N 0 0 440.515 5.909 40 30 IKEBRN COc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OC(=O)c1ccc(C)cc1 ZINC000408887069 556879447 /nfs/dbraw/zinc/87/94/47/556879447.db2.gz LVFAMACFMTVVNC-JCMHNJIXSA-N 0 0 444.512 5.114 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4C)cc3)S2)cc1 ZINC000408887890 556879915 /nfs/dbraw/zinc/87/99/15/556879915.db2.gz UQJNEPNLCDWFAC-HAHDFKILSA-N 0 0 430.529 5.474 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O ZINC000409156273 556880414 /nfs/dbraw/zinc/88/04/14/556880414.db2.gz RPOAEFCSEQIEGM-YDZHTSKRSA-N 0 0 444.487 5.513 40 30 IKEBRN C=CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000408896469 556881304 /nfs/dbraw/zinc/88/13/04/556881304.db2.gz KWTSNVDMOITQST-UHFFFAOYSA-N 0 0 439.983 5.878 40 30 IKEBRN COc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1OCc1cccc2ccccc21 ZINC000408892733 556881435 /nfs/dbraw/zinc/88/14/35/556881435.db2.gz CQVIZDVHQHNJIA-VULFUBBASA-N 0 0 428.448 5.177 40 30 IKEBRN C=CCn1cc(C2C3=C(CCCC3=O)N(CCCOC)C3=C2C(=O)CCC3)c2ccccc21 ZINC000408897745 556883340 /nfs/dbraw/zinc/88/33/40/556883340.db2.gz OAFUCACKMYWGME-UHFFFAOYSA-N 0 0 444.575 5.277 40 30 IKEBRN C=CCOc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC ZINC000408904930 556883854 /nfs/dbraw/zinc/88/38/54/556883854.db2.gz QPXJBJIIGPSTRA-LDADJPATSA-N 0 0 441.325 5.219 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)ccc1O ZINC000408905408 556884071 /nfs/dbraw/zinc/88/40/71/556884071.db2.gz ABTCKISUNBXZTK-KWPJTZOTSA-N 0 0 444.556 5.638 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1c(C)cccc1C ZINC000408905868 556884201 /nfs/dbraw/zinc/88/42/01/556884201.db2.gz FXJVEPYBPXWZBV-BDOZFWBASA-N 0 0 442.584 6.506 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)S/C1=N\c1cc(C)ccc1C ZINC000408906099 556884361 /nfs/dbraw/zinc/88/43/61/556884361.db2.gz ALKSBTRNGWHFDN-LDRHNPJFSA-N 0 0 430.957 5.598 40 30 IKEBRN CCCCCOc1c(/C=C2/S/C(=N\c3ccccc3)N(CCC)C2=O)cccc1OC ZINC000408906481 556884402 /nfs/dbraw/zinc/88/44/02/556884402.db2.gz BWALFQAVRZUUKW-OTPOTBIMSA-N 0 0 438.593 6.278 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S/C1=N\c1ccc(C)cc1 ZINC000408906482 556884416 /nfs/dbraw/zinc/88/44/16/556884416.db2.gz BWEWGVOXGHPSIA-QMSJJHEMSA-N 0 0 447.516 6.096 40 30 IKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)c2ccccc12 ZINC000408906991 556884638 /nfs/dbraw/zinc/88/46/38/556884638.db2.gz FSXMAOWTAWNAGI-UINIZAEWSA-N 0 0 430.573 6.561 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1cc(C)ccc1C ZINC000408906708 556884671 /nfs/dbraw/zinc/88/46/71/556884671.db2.gz DHZQOBXJFZEYLH-AUCMGLCLSA-N 0 0 431.355 5.395 40 30 IKEBRN CC(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000408907041 556884686 /nfs/dbraw/zinc/88/46/86/556884686.db2.gz GBWQJJRGSXPZAY-SXKXEDTISA-N 0 0 426.585 7.175 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c1O ZINC000408907679 556884941 /nfs/dbraw/zinc/88/49/41/556884941.db2.gz ORQUAXHBDBMNGR-OOBUQPIISA-N 0 0 430.529 5.766 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S/C1=N\c1ccccc1 ZINC000408912273 556886282 /nfs/dbraw/zinc/88/62/82/556886282.db2.gz MTTHUKZYKHKOGF-LBMUFILHSA-N 0 0 447.516 6.177 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2OCC(C)C)C(=O)N1CC ZINC000408912304 556886316 /nfs/dbraw/zinc/88/63/16/556886316.db2.gz MYGJENCNVTVYCR-JUMVDPBBSA-N 0 0 438.593 5.916 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1C ZINC000408913073 556886325 /nfs/dbraw/zinc/88/63/25/556886325.db2.gz PJGVJHBNTDWJCK-UINIZAEWSA-N 0 0 428.557 6.062 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc12 ZINC000408912365 556886358 /nfs/dbraw/zinc/88/63/58/556886358.db2.gz NGCZPYVYPWJFFP-AJGXWLHTSA-N 0 0 436.536 6.657 40 30 IKEBRN O=[N+]([O-])c1cccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)c1 ZINC000408908363 556886788 /nfs/dbraw/zinc/88/67/88/556886788.db2.gz BXDVVNBDWJJRIG-OGLMXYFKSA-N 0 0 426.516 7.073 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCc3ccccc3)C(=O)N2C(C)C)cc1 ZINC000408913257 556886809 /nfs/dbraw/zinc/88/68/09/556886809.db2.gz PQMQGIJFIKYMAO-FUQOYWQNSA-N 0 0 442.584 6.586 40 30 IKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 ZINC000408907862 556886836 /nfs/dbraw/zinc/88/68/36/556886836.db2.gz PNMZIZISIOQKJX-HBPDIUARSA-N 0 0 439.540 5.954 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(C)c3)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408907890 556886873 /nfs/dbraw/zinc/88/68/73/556886873.db2.gz PXSYFWHHECFCMI-FUQOYWQNSA-N 0 0 442.584 6.506 40 30 IKEBRN CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(C2CCCCC2)C1=O ZINC000408909482 556887321 /nfs/dbraw/zinc/88/73/21/556887321.db2.gz DCDJRMJZHRJWTJ-KWPJTZOTSA-N 0 0 434.605 6.721 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2c(C)cccc2C)N(CC)C1=O ZINC000408909178 556887355 /nfs/dbraw/zinc/88/73/55/556887355.db2.gz GQPHWNRHRHKPOJ-BVGVAWRYSA-N 0 0 430.573 6.479 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1C ZINC000408909821 556887452 /nfs/dbraw/zinc/88/74/52/556887452.db2.gz IJYRQYWOKXBZQU-KWPJTZOTSA-N 0 0 428.557 5.850 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c(Br)c2)C(=O)N1C ZINC000408909839 556887469 /nfs/dbraw/zinc/88/74/69/556887469.db2.gz FELSNQXZGCQSMI-FTIPTLOASA-N 0 0 431.355 5.254 40 30 IKEBRN C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000408910180 556887780 /nfs/dbraw/zinc/88/77/80/556887780.db2.gz GAXMBUXZCWFUOM-KWPJTZOTSA-N 0 0 430.573 5.944 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000408910208 556887830 /nfs/dbraw/zinc/88/78/30/556887830.db2.gz JPFABNCSZKXZRK-XKZIYDEJSA-N 0 0 426.270 5.382 40 30 IKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408910131 556887837 /nfs/dbraw/zinc/88/78/37/556887837.db2.gz FUXLNVHAYPDYLZ-XNGCSZICSA-N 0 0 429.383 6.160 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2cc(C)ccc2C)N(CC)C1=O ZINC000408910776 556888012 /nfs/dbraw/zinc/88/80/12/556888012.db2.gz KSYLSGGFSFHFPJ-YCJCGMCGSA-N 0 0 430.573 6.479 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)N2C(C)C)cc1 ZINC000408911625 556888229 /nfs/dbraw/zinc/88/82/29/556888229.db2.gz KNJKPHLOHCBBIM-FUQOYWQNSA-N 0 0 442.584 6.586 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(CCC)C1=O ZINC000408911526 556888252 /nfs/dbraw/zinc/88/82/52/556888252.db2.gz JXYRZKYIWINXSK-AJGXWLHTSA-N 0 0 444.600 6.951 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408911477 556888285 /nfs/dbraw/zinc/88/82/85/556888285.db2.gz ZNMCUMSXJXRKML-DOGKOTLKSA-N 0 0 446.547 6.337 40 30 IKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1 ZINC000408911880 556888433 /nfs/dbraw/zinc/88/84/33/556888433.db2.gz KWOFNOLVIKOQFW-UINIZAEWSA-N 0 0 428.557 6.198 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N\c1ccc(C)cc1 ZINC000408911833 556888439 /nfs/dbraw/zinc/88/84/39/556888439.db2.gz ONBWAZDYHCMVHL-YCJCGMCGSA-N 0 0 445.588 6.035 40 30 IKEBRN CC[C@H](C)N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408911765 556888490 /nfs/dbraw/zinc/88/84/90/556888490.db2.gz KOJNELNERQNFOB-TXZQYPECSA-N 0 0 440.565 5.423 40 30 IKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408911964 556888607 /nfs/dbraw/zinc/88/86/07/556888607.db2.gz LFENNWUSBLZJCV-WDVBHDOFSA-N 0 0 430.573 6.559 40 30 IKEBRN COc1cc(Cl)cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c1O ZINC000408917097 556888645 /nfs/dbraw/zinc/88/86/45/556888645.db2.gz MLLHBXNEFGFMGT-WSMIJMPASA-N 0 0 440.908 5.451 40 30 IKEBRN C#CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000408917240 556889012 /nfs/dbraw/zinc/88/90/12/556889012.db2.gz PPTXWWCZWVOMEL-LMTJQJACSA-N 0 0 437.524 5.672 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)N1C ZINC000408913402 556889086 /nfs/dbraw/zinc/88/90/86/556889086.db2.gz QNYVPXCHSNKYBW-QMSJJHEMSA-N 0 0 447.516 5.959 40 30 IKEBRN CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000408913328 556889095 /nfs/dbraw/zinc/88/90/95/556889095.db2.gz PZHMFUGMFYMPNM-LQLRGMOSSA-N 0 0 448.588 6.108 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(Cl)c1O ZINC000408913343 556889118 /nfs/dbraw/zinc/88/91/18/556889118.db2.gz QBMQCATWSRRKLV-RVFNTIOESA-N 0 0 430.957 5.765 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408913633 556889337 /nfs/dbraw/zinc/88/93/37/556889337.db2.gz QYCDLOAZVOSULB-HUOZHCEOSA-N 0 0 438.593 6.052 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cc(Cl)ccc3O)C(=O)N2Cc2ccccc2)cc1 ZINC000408914348 556889541 /nfs/dbraw/zinc/88/95/41/556889541.db2.gz UOXNZTLDKAWBLS-DDOPLPCHSA-N 0 0 434.948 6.158 40 30 IKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1 ZINC000408914254 556889593 /nfs/dbraw/zinc/88/95/93/556889593.db2.gz UDPRRCUQWTUNBU-WEOUEGTISA-N 0 0 442.584 6.240 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cc(Br)ccc3O)C(=O)N2C(C)C)cc1 ZINC000408914456 556889646 /nfs/dbraw/zinc/88/96/46/556889646.db2.gz UVZQNRTYXHMDFI-AUCMGLCLSA-N 0 0 431.355 5.476 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)N2Cc2ccccc2)cc1 ZINC000408914808 556889736 /nfs/dbraw/zinc/88/97/36/556889736.db2.gz WGTZQZUQSOMPBS-HUOZHCEOSA-N 0 0 443.528 6.016 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)C(=O)N2C)cc1 ZINC000408914492 556889741 /nfs/dbraw/zinc/88/97/41/556889741.db2.gz VAICUVVAYCYNRN-GRUKXCDCSA-N 0 0 433.489 5.705 40 30 IKEBRN C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000408914619 556889848 /nfs/dbraw/zinc/88/98/48/556889848.db2.gz RJSCPFXITTUSFK-UHFFFAOYSA-N 0 0 435.479 5.337 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc1OC ZINC000408915030 556889992 /nfs/dbraw/zinc/88/99/92/556889992.db2.gz WPKXLOQPOPIABA-JLOZXLPYSA-N 0 0 438.593 6.195 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2c(F)cccc2Cl)C(=O)N1C1CCCCC1 ZINC000408915725 556890332 /nfs/dbraw/zinc/89/03/32/556890332.db2.gz ZPWQZIVIWVRYEP-VBMYQUNLSA-N 0 0 442.987 6.978 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)S/C1=N\c1ccccc1 ZINC000408915425 556890335 /nfs/dbraw/zinc/89/03/35/556890335.db2.gz YGTCLLAYPHURJN-HNEFAFEWSA-N 0 0 446.528 5.747 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc(Cl)c3Cl)C(=O)N2C2CCCCC2)cc1 ZINC000408915385 556890363 /nfs/dbraw/zinc/89/03/63/556890363.db2.gz XYDRSXYQEYGMLC-OYJZPLNUSA-N 0 0 445.415 7.239 40 30 IKEBRN C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC ZINC000408919703 556890615 /nfs/dbraw/zinc/89/06/15/556890615.db2.gz BOFCLJUVOOGYGH-UHFFFAOYSA-N 0 0 441.955 5.347 40 30 IKEBRN CC(C)(C)[C@@]1(O)C=C(C(F)(F)C(F)(F)C(F)(F)F)NN1C(=O)c1cccc(Cl)c1 ZINC000408920506 556890851 /nfs/dbraw/zinc/89/08/51/556890851.db2.gz JLGYCEBZDHTALE-AWEZNQCLSA-N 0 0 448.766 5.110 40 30 IKEBRN COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1Cl ZINC000408918156 556891262 /nfs/dbraw/zinc/89/12/62/556891262.db2.gz GYKUMPZEKRNDKA-KBKYJPHKSA-N 0 0 429.303 6.413 40 30 IKEBRN N#Cc1c(/N=C/c2ccc(-c3ccc(Cl)cc3)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408918391 556891536 /nfs/dbraw/zinc/89/15/36/556891536.db2.gz JWZDISKOQCTCIY-FDAWAROLSA-N 0 0 448.909 8.149 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccccc1 ZINC000408928659 556893387 /nfs/dbraw/zinc/89/33/87/556893387.db2.gz CZTAYUQUAHHLIP-IVCURSBOSA-N 0 0 433.577 5.863 40 30 IKEBRN CC/N=C1/S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)N1CC ZINC000408928927 556893644 /nfs/dbraw/zinc/89/36/44/556893644.db2.gz GDAVMUYMPVNASL-VBJFXANNSA-N 0 0 437.996 5.964 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C(=O)N1CC ZINC000408929381 556893847 /nfs/dbraw/zinc/89/38/47/556893847.db2.gz JEACGFOVKLXQCH-BBWXTVSKSA-N 0 0 430.957 5.240 40 30 IKEBRN C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)N1C ZINC000408930208 556894144 /nfs/dbraw/zinc/89/41/44/556894144.db2.gz UCEIRPLFXFENLB-MDRWVBAWSA-N 0 0 437.348 5.113 40 30 IKEBRN C(=N/c1ccc(N2CCOCC2)cc1)\c1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000408930671 556894343 /nfs/dbraw/zinc/89/43/43/556894343.db2.gz AKXRYUIPZURVEG-AJBULDERSA-N 0 0 445.566 6.430 40 30 IKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccccc1Cl ZINC000408931177 556894735 /nfs/dbraw/zinc/89/47/35/556894735.db2.gz IAWKISFQSDDCBJ-WPWMEQJKSA-N 0 0 436.939 5.515 40 30 IKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cc2)cc(Cl)c1OCc1cccc(C)c1 ZINC000408932836 556894968 /nfs/dbraw/zinc/89/49/68/556894968.db2.gz ZVIXEAGCVBXZJF-QDTIIGTASA-N 0 0 448.872 6.701 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408933571 556895031 /nfs/dbraw/zinc/89/50/31/556895031.db2.gz AWQXCYDXPHSWOB-BRGLFVENSA-N 0 0 438.571 7.061 40 30 IKEBRN CC[C@@H](C)n1cc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)c2ccccc21 ZINC000408933672 556895050 /nfs/dbraw/zinc/89/50/50/556895050.db2.gz JWTFDPLKMXXNDP-WFADBIMLSA-N 0 0 447.604 6.253 40 30 IKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3c(O)ccc4ccccc34)cc1)N2 ZINC000408936449 556895603 /nfs/dbraw/zinc/89/56/03/556895603.db2.gz GLSSUTWJJAVVCN-MZRNCTNESA-N 0 0 430.551 7.431 40 30 IKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000408932732 556896108 /nfs/dbraw/zinc/89/61/08/556896108.db2.gz YWLNEGQNBNQDSQ-CVKSISIWSA-N 0 0 428.363 5.988 40 30 IKEBRN CC[C@H](C)Oc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cc2)cc1OC ZINC000408932650 556896126 /nfs/dbraw/zinc/89/61/26/556896126.db2.gz DEVGGOREJKHVCQ-RQSOKRQSSA-N 0 0 445.279 6.100 40 30 IKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O ZINC000408940640 556896694 /nfs/dbraw/zinc/89/66/94/556896694.db2.gz OIIFMJABSPBYFX-MBZYMXRXSA-N 0 0 444.962 7.021 40 30 IKEBRN COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408938076 556897074 /nfs/dbraw/zinc/89/70/74/556897074.db2.gz KJHHZLQJRPBKFL-OGJHGMHNSA-N 0 0 444.578 7.734 40 30 IKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408944008 556897292 /nfs/dbraw/zinc/89/72/92/556897292.db2.gz TWXSEAHYFCZLPF-HVGHKUKKSA-N 0 0 436.555 6.837 40 30 IKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408946001 556897447 /nfs/dbraw/zinc/89/74/47/556897447.db2.gz XWATYTIRQAQUED-UUQTWXEZSA-N 0 0 440.974 7.482 40 30 IKEBRN O=[N+]([O-])c1ccc(Oc2ccc(C=NNc3ccc(C(F)(F)F)cc3)cc2)c([N+](=O)[O-])c1 ZINC000408943879 556897552 /nfs/dbraw/zinc/89/75/52/556897552.db2.gz ZJYWGLMGDUMUPT-MSXFZWOLSA-N 0 0 446.341 5.760 40 30 IKEBRN CCOc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(OC)cc3)C(=O)N2CC)cc1 ZINC000408951032 556897803 /nfs/dbraw/zinc/89/78/03/556897803.db2.gz HKFAPDPZTQHWLM-CMEWOCMCSA-N 0 0 447.560 5.509 40 30 IKEBRN CC(C)(C)c1ccc(/N=C\c2cc(Br)c(I)o2)cc1 ZINC000408949602 556897863 /nfs/dbraw/zinc/89/78/63/556897863.db2.gz BNHZCYRKIHQKJM-NVMNQCDNSA-N 0 0 432.099 5.695 40 30 IKEBRN COc1ccc(/N=C/c2cc(Br)c(I)o2)cc1Cl ZINC000408949302 556898821 /nfs/dbraw/zinc/89/88/21/556898821.db2.gz ARMBPIMGRWSSLJ-OMCISZLKSA-N 0 0 440.462 5.059 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)C(=Cc3ccc(-c4ccc(C(C)=O)cc4)o3)S2)cc1 ZINC000408949314 556898823 /nfs/dbraw/zinc/89/88/23/556898823.db2.gz AVAUPNFBMVRXCC-HYARGMPZSA-N 0 0 432.501 5.440 40 30 IKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408954221 556898881 /nfs/dbraw/zinc/89/88/81/556898881.db2.gz RXVVNYWIJCRHTM-PDGQHHTCSA-N 0 0 444.343 5.684 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CC)C2=O)c1C ZINC000408959779 556899752 /nfs/dbraw/zinc/89/97/52/556899752.db2.gz FSWJNXKBCOVFHM-HRCCQFLKSA-N 0 0 443.616 6.589 40 30 IKEBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)o2)c(C)c1 ZINC000408960190 556899974 /nfs/dbraw/zinc/89/99/74/556899974.db2.gz DGGZWEYKCUILAG-FYJGNVAPSA-N 0 0 432.501 5.242 40 30 IKEBRN CCCCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccccc1 ZINC000408960073 556900071 /nfs/dbraw/zinc/90/00/71/556900071.db2.gz JAHGHGCFRCQLOU-VDJURDQESA-N 0 0 444.604 5.947 40 30 IKEBRN C=CCn1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 ZINC000408960504 556900385 /nfs/dbraw/zinc/90/03/85/556900385.db2.gz GAURHZBSVCYZLR-WOJGMQOQSA-N 0 0 428.344 6.026 40 30 IKEBRN CCN(CC)c1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br ZINC000408961280 556900815 /nfs/dbraw/zinc/90/08/15/556900815.db2.gz MEXHFLOLAXZZAW-CPNJWEJPSA-N 0 0 444.398 5.495 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c1C ZINC000408962676 556901536 /nfs/dbraw/zinc/90/15/36/556901536.db2.gz ZYLGJJRSEIDRDO-HAHDFKILSA-N 0 0 429.589 6.165 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408962983 556901565 /nfs/dbraw/zinc/90/15/65/556901565.db2.gz WTBRABKSFIBDHI-LPYMAVHISA-N 0 0 435.980 6.256 40 30 IKEBRN CCOc1cc(C)c(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1C(C)C ZINC000408963087 556901736 /nfs/dbraw/zinc/90/17/36/556901736.db2.gz MKMOEAFZRQEKJI-YBFXNURJSA-N 0 0 449.403 6.716 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1O ZINC000408963177 556901750 /nfs/dbraw/zinc/90/17/50/556901750.db2.gz XQPNBHFHDPSQGG-RIYZIHGNSA-N 0 0 443.739 5.643 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c1C ZINC000408963905 556901997 /nfs/dbraw/zinc/90/19/97/556901997.db2.gz BDQLFDHZUMBMRD-HMAPJEAMSA-N 0 0 435.980 6.202 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3cccc([N+](=O)[O-])c3)S2)cc1 ZINC000408963875 556902021 /nfs/dbraw/zinc/90/20/21/556902021.db2.gz DMGDQXGVHNQZFA-HYARGMPZSA-N 0 0 445.500 5.374 40 30 IKEBRN CCN(CC)c1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Br ZINC000408964095 556902072 /nfs/dbraw/zinc/90/20/72/556902072.db2.gz FVLBQDZGZVWQKZ-LDADJPATSA-N 0 0 448.361 5.326 40 30 IKEBRN COc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1OCc1ccccc1 ZINC000408964955 556902256 /nfs/dbraw/zinc/90/22/56/556902256.db2.gz IYOWFQHMOPIIKF-HYARGMPZSA-N 0 0 434.492 5.305 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)S2)cc1 ZINC000408964737 556902287 /nfs/dbraw/zinc/90/22/87/556902287.db2.gz RTYJIQDAJSBDPY-HYARGMPZSA-N 0 0 434.492 5.305 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)S2)cc1 ZINC000408965280 556902555 /nfs/dbraw/zinc/90/25/55/556902555.db2.gz VFRYDWHUTCJZNX-HYARGMPZSA-N 0 0 445.500 5.374 40 30 IKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408965235 556902559 /nfs/dbraw/zinc/90/25/59/556902559.db2.gz JMBDWMNWTJYJFE-BXUJETTOSA-N 0 0 430.957 5.726 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)S2)cc1 ZINC000408967047 556903208 /nfs/dbraw/zinc/90/32/08/556903208.db2.gz RUXATOSRNKGIAE-HYARGMPZSA-N 0 0 433.533 5.003 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000408967103 556903213 /nfs/dbraw/zinc/90/32/13/556903213.db2.gz SGFFWSBDDBVDOZ-GZTJUZNOSA-N 0 0 432.307 5.815 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(I)c(C)c2)c1C ZINC000408967232 556903270 /nfs/dbraw/zinc/90/32/70/556903270.db2.gz PJBYNSOYUWGFOK-OYKKKHCWSA-N 0 0 442.344 6.320 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)S2)cc1 ZINC000408968001 556903594 /nfs/dbraw/zinc/90/35/94/556903594.db2.gz YKTWOVIETCPUOK-BUVRLJJBSA-N 0 0 445.588 6.118 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(Br)cc3C)c2C)c1 ZINC000408968749 556903889 /nfs/dbraw/zinc/90/38/89/556903889.db2.gz YPUUHWKGDCVVJV-QFEZKATASA-N 0 0 439.353 6.092 40 30 IKEBRN CC(C)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408969266 556903977 /nfs/dbraw/zinc/90/39/77/556903977.db2.gz KIRUCPFOZFUMNJ-MTDXEUNCSA-N 0 0 430.617 7.533 40 30 IKEBRN N#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000408969859 556904347 /nfs/dbraw/zinc/90/43/47/556904347.db2.gz VQVZPGSGOMSKAO-MTDXEUNCSA-N 0 0 443.572 6.312 40 30 IKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1cccc3ccccc13)CCCCCC2 ZINC000408974340 556905135 /nfs/dbraw/zinc/90/51/35/556905135.db2.gz YCLLOJOKYWLPQL-VUTHCHCSSA-N 0 0 438.596 7.563 40 30 IKEBRN C=CCN(C(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)c1ccccc1 ZINC000408975061 556905402 /nfs/dbraw/zinc/90/54/02/556905402.db2.gz JJYYGUMTRIJIBG-UHFFFAOYSA-N 0 0 441.494 5.712 40 30 IKEBRN CC(N=Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc(-c2ccccc2)cc1 ZINC000408974656 556905466 /nfs/dbraw/zinc/90/54/66/556905466.db2.gz GEUSLSKSUOBOPD-WPWMEQJKSA-N 0 0 425.513 7.166 40 30 IKEBRN COc1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408975132 556905677 /nfs/dbraw/zinc/90/56/77/556905677.db2.gz HYUHZAWSHXBSKV-MFKUBSTISA-N 0 0 444.516 6.148 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408975470 556905700 /nfs/dbraw/zinc/90/57/00/556905700.db2.gz KSIUZTDRSFLOHV-AFUMVMLFSA-N 0 0 448.935 6.793 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408976403 556906208 /nfs/dbraw/zinc/90/62/08/556906208.db2.gz QZHYBTWTGVRQQT-AFUMVMLFSA-N 0 0 448.935 6.793 40 30 IKEBRN Cc1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408976719 556906562 /nfs/dbraw/zinc/90/65/62/556906562.db2.gz SMEMEPYBXRQVHN-MFKUBSTISA-N 0 0 428.517 6.448 40 30 IKEBRN Cc1ccc(C2=NOC(=O)/C2=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408981765 556907989 /nfs/dbraw/zinc/90/79/89/556907989.db2.gz BORNJCRXFYVBBT-UYRXBGFRSA-N 0 0 438.310 6.225 40 30 IKEBRN CCOC(=O)COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408980104 556909008 /nfs/dbraw/zinc/90/90/08/556909008.db2.gz UWKYHXORUZVQCA-JVWAILMASA-N 0 0 448.588 6.550 40 30 IKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc(OC)c1OC ZINC000408986793 556909824 /nfs/dbraw/zinc/90/98/24/556909824.db2.gz NDMRSTFUZPGYIS-WGOQTCKBSA-N 0 0 445.544 5.949 40 30 IKEBRN Cc1cccc(Cn2cc(/C=C3\SC(=Nc4ccccc4C)NC3=O)c3ccccc32)c1 ZINC000408989968 556911122 /nfs/dbraw/zinc/91/11/22/556911122.db2.gz JPGQHOPKVQRHKY-MYYYXRDXSA-N 0 0 437.568 6.198 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4c(C)cc(C)cc4C)cc3)S2)cc1 ZINC000408990201 556911173 /nfs/dbraw/zinc/91/11/73/556911173.db2.gz NGHXMRACIMHPBR-MYYYXRDXSA-N 0 0 442.584 6.391 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4cccc5cccnc54)o3)S2)c1 ZINC000408991430 556911640 /nfs/dbraw/zinc/91/16/40/556911640.db2.gz ODWVKWZRFKZJSB-ZHZULCJRSA-N 0 0 443.553 6.179 40 30 IKEBRN Cc1cccc(Cn2cc(/C=C3\SC(=Nc4cccc(C)c4)NC3=O)c3ccccc32)c1 ZINC000408998903 556913624 /nfs/dbraw/zinc/91/36/24/556913624.db2.gz QTNHDNLCZXTECD-MYYYXRDXSA-N 0 0 437.568 6.198 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2c(OC)ccc3ccccc32)C1=O ZINC000409000570 556914375 /nfs/dbraw/zinc/91/43/75/556914375.db2.gz YXJVITNJUBQARC-QNGOZBTKSA-N 0 0 431.513 5.392 40 30 IKEBRN Brc1cc(/C=N/N(c2ccccc2)c2ccccc2)oc1Sc1ccccc1 ZINC000409002046 556914759 /nfs/dbraw/zinc/91/47/59/556914759.db2.gz LUFSPHBSPZEYMW-KOEQRZSOSA-N 0 0 449.373 7.366 40 30 IKEBRN CCOc1cc(/C=N/O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409004672 556915342 /nfs/dbraw/zinc/91/53/42/556915342.db2.gz BECPRMUUFURELU-LQKURTRISA-N 0 0 448.563 5.379 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1Cl ZINC000409004729 556915378 /nfs/dbraw/zinc/91/53/78/556915378.db2.gz BOQIENGDBQITNG-LSHDLFTRSA-N 0 0 448.266 5.663 40 30 IKEBRN CCCCN1C(=O)/C(=C/c2ccc(O[C@H](C)CC)c(Cl)c2)SC1=Nc1ccccc1 ZINC000409010732 556917884 /nfs/dbraw/zinc/91/78/84/556917884.db2.gz DHTKBSNFHDQQQG-VIBWIADVSA-N 0 0 443.012 6.921 40 30 IKEBRN Cc1ccc(-n2cccc2/C=N\c2ccc(I)c(C)c2)cc1Cl ZINC000409010337 556917937 /nfs/dbraw/zinc/91/79/37/556917937.db2.gz CFDMWOYJTHDHMM-UUYOSTAYSA-N 0 0 434.708 6.103 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(OC)cc3)N(CC)C2=O)cc1Cl ZINC000409012840 556918926 /nfs/dbraw/zinc/91/89/26/556918926.db2.gz LKBIIFSSWFSHFM-GIZWUGLGSA-N 0 0 444.984 6.150 40 30 IKEBRN CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2cccc(Br)c2)cc1 ZINC000409017403 556919397 /nfs/dbraw/zinc/91/93/97/556919397.db2.gz ZDOFVGXFIGANOJ-LFVJCYFKSA-N 0 0 425.326 5.947 40 30 IKEBRN Cc1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)cc1Cl ZINC000409015352 556920752 /nfs/dbraw/zinc/92/07/52/556920752.db2.gz ROHLABPLTWVXSC-MJBUPYINSA-N 0 0 425.916 5.812 40 30 IKEBRN COc1cc(C)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1C(C)C ZINC000409016716 556921294 /nfs/dbraw/zinc/92/12/94/556921294.db2.gz GYZYSUHEWSFAJT-LQKURTRISA-N 0 0 446.616 7.070 40 30 IKEBRN COc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(C)c(Cl)c3)C(=O)N2C)cc1 ZINC000409020260 556924353 /nfs/dbraw/zinc/92/43/53/556924353.db2.gz NFYYZNZWLAPFCQ-RFWMZAAKSA-N 0 0 437.952 5.682 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccc(OC)cc2)N(CC)C1=O ZINC000409020481 556924502 /nfs/dbraw/zinc/92/45/02/556924502.db2.gz PTVHJZSATOPAEI-HXNPFYCNSA-N 0 0 446.572 6.261 40 30 IKEBRN COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OCc1ccccc1F ZINC000409034612 556928200 /nfs/dbraw/zinc/92/82/00/556928200.db2.gz HRSVJYRJJXOVMY-OXUBWTJQSA-N 0 0 442.306 5.127 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000409036077 556928532 /nfs/dbraw/zinc/92/85/32/556928532.db2.gz RHKGGLUIAHPDLA-HCGXMYGOSA-N 0 0 433.121 5.423 40 30 IKEBRN CCCCSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409037164 556928759 /nfs/dbraw/zinc/92/87/59/556928759.db2.gz SHNUZGPNSCKCMH-RAWMCFOBSA-N 0 0 426.401 6.446 40 30 IKEBRN Cc1ccc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)c(Br)c1 ZINC000409036762 556928773 /nfs/dbraw/zinc/92/87/73/556928773.db2.gz BGMIEEAVWKJOTK-HCBMXOAHSA-N 0 0 447.148 5.731 40 30 IKEBRN Cc1cc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c([N+](=O)[O-])cc1C ZINC000409040551 556929254 /nfs/dbraw/zinc/92/92/54/556929254.db2.gz SSLQBMZFBUTBIK-VAPIAZESSA-N 0 0 427.276 5.186 40 30 IKEBRN Cc1c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1Cc1ccccc1 ZINC000409040986 556929289 /nfs/dbraw/zinc/92/92/89/556929289.db2.gz ZKXOTDMGKIZIFX-FXMZOFOKSA-N 0 0 431.355 5.712 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C1=O ZINC000409046481 556930824 /nfs/dbraw/zinc/93/08/24/556930824.db2.gz KVYMMSPQZVEETR-HYARGMPZSA-N 0 0 433.916 5.742 40 30 IKEBRN CCOc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409046795 556931247 /nfs/dbraw/zinc/93/12/47/556931247.db2.gz MFNAUIIZFKAROV-MFKUBSTISA-N 0 0 433.464 5.070 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)C1=O ZINC000409048119 556931795 /nfs/dbraw/zinc/93/17/95/556931795.db2.gz RQFKOGWFABJKMD-DEDYPNTBSA-N 0 0 441.936 5.296 40 30 IKEBRN COc1cc(CN=Nc2nc(C)cs2)ccc1OC(=O)c1ccc(Cl)c(Cl)c1 ZINC000409057198 556934622 /nfs/dbraw/zinc/93/46/22/556934622.db2.gz UUZLDQVHDQEXDO-LSFURLLWSA-N 0 0 436.320 5.432 40 30 IKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(N3CCCC3)cc2)sc2c1CCCC2 ZINC000409058375 556935356 /nfs/dbraw/zinc/93/53/56/556935356.db2.gz OEAPIUSAJQXJSB-OVVQPSECSA-N 0 0 429.589 6.230 40 30 IKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1cccc(Br)c1 ZINC000409064286 556940938 /nfs/dbraw/zinc/94/09/38/556940938.db2.gz OSOHQWOCRVXBGS-WSDLNYQXSA-N 0 0 425.355 5.912 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O ZINC000409064778 556941173 /nfs/dbraw/zinc/94/11/73/556941173.db2.gz FLOWYUPGYAPTTQ-WOJGMQOQSA-N 0 0 433.888 5.289 40 30 IKEBRN O=C(C=CNc1ccc(Br)cc1Br)c1ccc(Cl)cc1Cl ZINC000409070715 556941325 /nfs/dbraw/zinc/94/13/25/556941325.db2.gz MXWIZUABWSSKEO-AATRIKPKSA-N 0 0 449.957 6.327 40 30 IKEBRN CC(C)(C)[C@H]1C[C@H](C(C)(C)C)C2=C1OC(=O)[C@@]1(C(=O)[C@H](C(C)(C)C)C[C@H]1C(C)(C)C)C2=O ZINC000409066036 556941600 /nfs/dbraw/zinc/94/16/00/556941600.db2.gz VMDSRARXVSWQPD-BQXVDALFSA-N 0 0 444.656 6.379 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCC3)c(F)c2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000409066242 556941847 /nfs/dbraw/zinc/94/18/47/556941847.db2.gz MNBUIHPEIINTPT-WNOHRPASSA-N 0 0 447.535 5.823 40 30 IKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409076876 556944055 /nfs/dbraw/zinc/94/40/55/556944055.db2.gz BQDDUDHCSKXVMD-ODLFYWEKSA-N 0 0 437.854 5.411 40 30 IKEBRN CCOc1cccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c1O ZINC000409076837 556944090 /nfs/dbraw/zinc/94/40/90/556944090.db2.gz BMXVTMLRZMQGPW-QLIPUSLZSA-N 0 0 430.957 5.704 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409069838 556944532 /nfs/dbraw/zinc/94/45/32/556944532.db2.gz ARSZSRLZGYLSPM-KGENOOAVSA-N 0 0 439.508 5.364 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000409080406 556947192 /nfs/dbraw/zinc/94/71/92/556947192.db2.gz NQEFRKMXOOUFTB-KQWNVCNZSA-N 0 0 439.898 6.417 40 30 IKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl ZINC000409080783 556947459 /nfs/dbraw/zinc/94/74/59/556947459.db2.gz MWFVHNFUIKTZOK-ACWMPWAISA-N 0 0 446.959 6.713 40 30 IKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409081619 556947687 /nfs/dbraw/zinc/94/76/87/556947687.db2.gz QMLVCSXEKYYSAW-RZNTYIFUSA-N 0 0 431.102 6.195 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(F)cc3)c2C(=O)NCc2ccco2)C1 ZINC000409083195 556948114 /nfs/dbraw/zinc/94/81/14/556948114.db2.gz UWNPKBZGDWRLPN-QWKVUHSCSA-N 0 0 438.568 6.312 40 30 IKEBRN CN(C)c1oc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br ZINC000409084905 556948504 /nfs/dbraw/zinc/94/85/04/556948504.db2.gz NHRJVGDMMPPTBB-MIDUAYCOSA-N 0 0 434.403 5.943 40 30 IKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409085560 556948525 /nfs/dbraw/zinc/94/85/25/556948525.db2.gz SMZZOGSRZWDKIV-NKZWWHGNSA-N 0 0 447.560 6.998 40 30 IKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccc(Br)cc1 ZINC000409085252 556948544 /nfs/dbraw/zinc/94/85/44/556948544.db2.gz OAFRLKLVELNMOY-ODLFYWEKSA-N 0 0 442.309 5.081 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl ZINC000409078565 556948810 /nfs/dbraw/zinc/94/88/10/556948810.db2.gz IIBKVRURFHLWDR-ZHZULCJRSA-N 0 0 449.337 6.393 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409078502 556948869 /nfs/dbraw/zinc/94/88/69/556948869.db2.gz IKUXOSMKJDNQEU-HJHSVFMCSA-N 0 0 426.585 6.687 40 30 IKEBRN COc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000409092537 556949252 /nfs/dbraw/zinc/94/92/52/556949252.db2.gz WXUBSSVCXRUJSZ-HZZGJGATSA-N 0 0 431.399 6.292 40 30 IKEBRN CCOc1ccccc1/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O ZINC000409092522 556949305 /nfs/dbraw/zinc/94/93/05/556949305.db2.gz WSEZQOKZWMCBBQ-UINIZAEWSA-N 0 0 428.557 5.758 40 30 IKEBRN CCOc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Br ZINC000409093054 556949484 /nfs/dbraw/zinc/94/94/84/556949484.db2.gz YXSZVMYCXPDQNZ-ZVBGSRNCSA-N 0 0 432.196 5.221 40 30 IKEBRN Cc1ccc(COc2c(Cl)cc(/C=C3\C(=O)ON=C3c3ccccc3)cc2Cl)cc1 ZINC000409092125 556952225 /nfs/dbraw/zinc/95/22/25/556952225.db2.gz VKCQKRNKSUVSIK-ODLFYWEKSA-N 0 0 438.310 6.225 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccccc1OCc1ccc(Cl)cc1 ZINC000409104429 556952887 /nfs/dbraw/zinc/95/28/87/556952887.db2.gz ZPACJODKLUQYFK-RPPGKUMJSA-N 0 0 449.816 6.292 40 30 IKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC(C)C ZINC000409098610 556954111 /nfs/dbraw/zinc/95/41/11/556954111.db2.gz QUZMDLXNPVQLAN-NUGSKGIGSA-N 0 0 431.798 5.509 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O ZINC000409098712 556954339 /nfs/dbraw/zinc/95/43/39/556954339.db2.gz OVFIQIMZEOEDSQ-RGVLZGJSSA-N 0 0 443.355 6.219 40 30 IKEBRN CCOc1cc2c(cc1/C=C1/SC(=Nc3ccc(Cl)c(Cl)c3)NC1=O)OCO2 ZINC000409100930 556955535 /nfs/dbraw/zinc/95/55/35/556955535.db2.gz XGLSVNVPDDDGHO-UBKPWBPPSA-N 0 0 437.304 5.012 40 30 IKEBRN Cc1c(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc2n1Cc1ccccc1C#N ZINC000409101851 556956088 /nfs/dbraw/zinc/95/60/88/556956088.db2.gz ZCYJSJBWEOAPPS-AMVVHIIESA-N 0 0 433.437 5.730 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1c(C)cccc1C ZINC000409103175 556956617 /nfs/dbraw/zinc/95/66/17/556956617.db2.gz XEXKQLPLQYQCPX-RPPGKUMJSA-N 0 0 430.430 6.084 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409103309 556956838 /nfs/dbraw/zinc/95/68/38/556956838.db2.gz VYADOVAPYXNZKQ-JQAMDZJQSA-N 0 0 427.257 6.261 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2cccc(C)c2C)cc1Br ZINC000409110618 556957407 /nfs/dbraw/zinc/95/74/07/556957407.db2.gz FKOJCZXSTZGXEU-UHFFFAOYSA-N 0 0 425.164 6.005 40 30 IKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409112169 556957869 /nfs/dbraw/zinc/95/78/69/556957869.db2.gz FGRYJHACBZXZND-UHFFFAOYSA-N 0 0 435.995 7.221 40 30 IKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Oc2ccccc2Cl)cc1 ZINC000409107266 556959109 /nfs/dbraw/zinc/95/91/09/556959109.db2.gz RMNRIQIHCPJPRW-CCEZHUSRSA-N 0 0 442.740 7.093 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1Br ZINC000409116818 556960222 /nfs/dbraw/zinc/96/02/22/556960222.db2.gz MTKQJCAYJIDQMJ-UHFFFAOYSA-N 0 0 445.582 6.350 40 30 IKEBRN COc1ccc(Oc2ccc(-n3c(C)cc(C=C4C(=O)c5ccccc5C4=O)c3C)cc2)cc1 ZINC000409123104 556962204 /nfs/dbraw/zinc/96/22/04/556962204.db2.gz DUJMFJBAFGNZBB-UHFFFAOYSA-N 0 0 449.506 6.358 40 30 IKEBRN O=[N+]([O-])c1cccnc1N=NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000409115174 556962642 /nfs/dbraw/zinc/96/26/42/556962642.db2.gz KRXDYVGESPBUDS-VULFUBBASA-N 0 0 432.867 5.821 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccccc1F ZINC000409115277 556962659 /nfs/dbraw/zinc/96/26/59/556962659.db2.gz LJNAQNWJYKZFHB-UHFFFAOYSA-N 0 0 425.931 6.716 40 30 IKEBRN COc1cc(C)c(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1C(C)C ZINC000409131993 556963672 /nfs/dbraw/zinc/96/36/72/556963672.db2.gz OAJXZKXGVPRVKQ-ODLFYWEKSA-N 0 0 428.941 5.181 40 30 IKEBRN CCOc1cc(C)c(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)cc1C(C)C ZINC000409130700 556967815 /nfs/dbraw/zinc/96/78/15/556967815.db2.gz UFMWXLGWERUOKO-NDENLUEZSA-N 0 0 442.968 5.571 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(OCC)c1OCC ZINC000409138540 556970763 /nfs/dbraw/zinc/97/07/63/556970763.db2.gz DKQRNCVLZGEZBT-RCCKNPSSSA-N 0 0 429.582 5.829 40 30 IKEBRN N#Cc1c(/N=C/c2ccc(-c3ccccc3C#N)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000409140623 556972193 /nfs/dbraw/zinc/97/21/93/556972193.db2.gz KTVXMBNOFRLORP-BIZUNTBRSA-N 0 0 439.474 7.368 40 30 IKEBRN CC(C)N1c2ccccc2/C(=N\c2sc3c(c2C(=O)Nc2cccnc2)CCCC3)C1=O ZINC000409141628 556972581 /nfs/dbraw/zinc/97/25/81/556972581.db2.gz ATCDIYLKZXVPDU-XAYXJRQQSA-N 0 0 444.560 5.150 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC ZINC000409142715 556975204 /nfs/dbraw/zinc/97/52/04/556975204.db2.gz AUQPLDJDGJIMLC-HMMYKYKNSA-N 0 0 441.936 5.030 40 30 IKEBRN CCOc1ccc(/N=C2/S[C@@H](Cc3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 ZINC000409144434 556975994 /nfs/dbraw/zinc/97/59/94/556975994.db2.gz YMCPOVCJAKYXIM-ZELUPATCSA-N 0 0 442.581 5.077 40 30 IKEBRN CCOc1ccc(/N=C2/S[C@H](Cc3ccc(OCC)cc3OCC)C(=O)N2CC)cc1 ZINC000409144430 556975999 /nfs/dbraw/zinc/97/59/99/556975999.db2.gz YMCPOVCJAKYXIM-GJQPQMNHSA-N 0 0 442.581 5.077 40 30 IKEBRN O=C1/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000015011804 556977434 /nfs/dbraw/zinc/97/74/34/556977434.db2.gz JSBIVTUUISRGHS-ZTYBVADTSA-N 0 0 445.456 5.132 40 30 IKEBRN CC(C)n1cc(/C=C2/S/C(=N/c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 ZINC000409153482 556978909 /nfs/dbraw/zinc/97/89/09/556978909.db2.gz ICKYLOQYSCLTBE-JMCHZZBBSA-N 0 0 437.568 7.031 40 30 IKEBRN O=C(Nc1cccnc1)c1c(/N=C/c2ccc(OC(F)F)cc2)sc2c1CCCC2 ZINC000409155017 556979335 /nfs/dbraw/zinc/97/93/35/556979335.db2.gz LEMCUPZDAHLGPQ-RPPGKUMJSA-N 0 0 427.476 5.626 40 30 IKEBRN Cc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccc(C)cc1 ZINC000409165906 556979841 /nfs/dbraw/zinc/97/98/41/556979841.db2.gz ANKSKGOHJJFNFD-QRVIBDJDSA-N 0 0 427.529 5.511 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1cccc(F)c1 ZINC000409168860 556980952 /nfs/dbraw/zinc/98/09/52/556980952.db2.gz UPLLNVDTSNAKSJ-SSDVNMTOSA-N 0 0 431.492 5.341 40 30 IKEBRN COc1cccc(-n2c(C)cc(/C=C3\SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)c1 ZINC000409167854 556980969 /nfs/dbraw/zinc/98/09/69/556980969.db2.gz OKBKWUDHDUDHJN-FMCGGJTJSA-N 0 0 443.528 5.211 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccc(F)cc1 ZINC000409169739 556982606 /nfs/dbraw/zinc/98/26/06/556982606.db2.gz YZHKOIAJXNTIHX-WSDLNYQXSA-N 0 0 431.492 5.341 40 30 IKEBRN CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1OCC(C)C ZINC000409170439 556983473 /nfs/dbraw/zinc/98/34/73/556983473.db2.gz VRVPSSHXNGVRJT-UUYOSTAYSA-N 0 0 436.533 5.228 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)cc1 ZINC000409171808 556984560 /nfs/dbraw/zinc/98/45/60/556984560.db2.gz AXNWEFXBQNUSDW-ZVHZXABRSA-N 0 0 441.556 5.765 40 30 IKEBRN Cc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl ZINC000409172529 556986396 /nfs/dbraw/zinc/98/63/96/556986396.db2.gz JZDYOHCKPAXKGB-CIAFOILYSA-N 0 0 433.920 5.547 40 30 IKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C2=N)S1 ZINC000097964949 556988334 /nfs/dbraw/zinc/98/83/34/556988334.db2.gz MUPAGQNIADXBRY-BRDBGPSPSA-N 0 0 447.608 6.074 40 30 IKEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(C)cc2)nnc1-c1ccco1 ZINC000409188627 556988588 /nfs/dbraw/zinc/98/85/88/556988588.db2.gz IHCNMNPZOYTWBE-OEAKJJBVSA-N 0 0 433.493 5.676 40 30 IKEBRN C=CCc1cc(-c2nc3ccccc3s2)cc(OCC)c1OCc1ccccc1Cl ZINC000409189219 556990917 /nfs/dbraw/zinc/99/09/17/556990917.db2.gz MYSXGKQBTUXGNV-UHFFFAOYSA-N 0 0 435.976 7.323 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccccc3I)c2C)cc1 ZINC000409186597 556991167 /nfs/dbraw/zinc/99/11/67/556991167.db2.gz FIRBZCGWBLOOIS-UCQKPKSFSA-N 0 0 444.316 5.848 40 30 IKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409206677 556996205 /nfs/dbraw/zinc/99/62/05/556996205.db2.gz ZWZUDBXNBUYTCC-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN COc1ccc(CN/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC ZINC000020196087 556996888 /nfs/dbraw/zinc/99/68/88/556996888.db2.gz VJXMDWGFTKXGQK-LGJNPRDNSA-N 0 0 445.346 5.713 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1C(C)C ZINC000409207862 556996975 /nfs/dbraw/zinc/99/69/75/556996975.db2.gz BOFLRZFLPKIRHR-XVURBDKZSA-N 0 0 426.567 5.396 40 30 IKEBRN CN1CCc2c(C#N)c(/N=C/c3cn(CCOc4ccccc4)c4ccccc34)sc2C1 ZINC000409207874 556996999 /nfs/dbraw/zinc/99/69/99/556996999.db2.gz BVAZTASOQGRRRY-LQKURTRISA-N 0 0 440.572 5.392 40 30 IKEBRN COc1ccc(CN/N=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC ZINC000020196442 556997123 /nfs/dbraw/zinc/99/71/23/556997123.db2.gz HQCQORDHSBQVHW-JFLMPSFJSA-N 0 0 440.927 5.069 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1Cl ZINC000409209210 556998221 /nfs/dbraw/zinc/99/82/21/556998221.db2.gz GWWXAQLHGZIGTE-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409209312 556998513 /nfs/dbraw/zinc/99/85/13/556998513.db2.gz FNZNVJLIUHJBSU-DHRITJCHSA-N 0 0 429.303 6.794 40 30 IKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OCC ZINC000409199339 556998558 /nfs/dbraw/zinc/99/85/58/556998558.db2.gz CJPTZRLKUJKIBY-BIOVLPJHSA-N 0 0 445.028 6.972 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409199522 556998792 /nfs/dbraw/zinc/99/87/92/556998792.db2.gz DIVJSNRCEALDMK-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1C ZINC000409200041 556999178 /nfs/dbraw/zinc/99/91/78/556999178.db2.gz FTGPTBAHHWUIQO-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409199942 556999225 /nfs/dbraw/zinc/99/92/25/556999225.db2.gz FXTCPGPRAWNDQY-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN Cc1sc(N=NCc2cccc(OCc3cccc4ccccc43)c2)nc1-c1ccccc1 ZINC000409180332 556999293 /nfs/dbraw/zinc/99/92/93/556999293.db2.gz QVMDXSIPBYCBFI-RDRPBHBLSA-N 0 0 449.579 7.297 40 30 IKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409200740 557000133 /nfs/dbraw/zinc/00/01/33/557000133.db2.gz ITUHLUIQXZVRQV-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409201544 557000595 /nfs/dbraw/zinc/00/05/95/557000595.db2.gz MGBIPNDAJYIZRL-ZVHZXABRSA-N 0 0 435.436 6.061 40 30 IKEBRN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CCCCC)C2=O)cc1OC ZINC000409201836 557000872 /nfs/dbraw/zinc/00/08/72/557000872.db2.gz OIALTRHRUVJUMO-VBKFSLOCSA-N 0 0 440.359 5.249 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c1C ZINC000409201987 557001155 /nfs/dbraw/zinc/00/11/55/557001155.db2.gz PRAWKLWWSKXWAM-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN Fc1cccc(COc2ccc3ccccc3c2/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409202520 557001324 /nfs/dbraw/zinc/00/13/24/557001324.db2.gz QXGCQRFLRXBPNR-UZWMFBFFSA-N 0 0 447.509 8.101 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409202641 557001715 /nfs/dbraw/zinc/00/17/15/557001715.db2.gz SJHWAAVHLPJRCD-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409202908 557001805 /nfs/dbraw/zinc/00/18/05/557001805.db2.gz UFTURUJSFRINIY-ZVHZXABRSA-N 0 0 439.309 6.249 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409202824 557001816 /nfs/dbraw/zinc/00/18/16/557001816.db2.gz SSCLDMPPNVKIHM-WGOQTCKBSA-N 0 0 438.365 6.740 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409202754 557001890 /nfs/dbraw/zinc/00/18/90/557001890.db2.gz UNOBRBMKLFLFDA-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000409203324 557002404 /nfs/dbraw/zinc/00/24/04/557002404.db2.gz XDLAKXPUTSARFJ-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409203819 557002617 /nfs/dbraw/zinc/00/26/17/557002617.db2.gz YZXUUXSSSHFMCW-OPEKNORGSA-N 0 0 449.721 7.193 40 30 IKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409203918 557002916 /nfs/dbraw/zinc/00/29/16/557002916.db2.gz ZXEBOJWPXNQXCX-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN CC(C)c1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 ZINC000409183079 557003008 /nfs/dbraw/zinc/00/30/08/557003008.db2.gz ACZRLJWQUSKXAD-GPTKXHSTSA-N 0 0 439.603 6.311 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000409209742 557004141 /nfs/dbraw/zinc/00/41/41/557004141.db2.gz IFIZCGOAAABJAR-VULFUBBASA-N 0 0 443.330 6.160 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1 ZINC000409209748 557004144 /nfs/dbraw/zinc/00/41/44/557004144.db2.gz IGXMKORLQQPGBX-AFUMVMLFSA-N 0 0 428.301 6.317 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1 ZINC000409209626 557004149 /nfs/dbraw/zinc/00/41/49/557004149.db2.gz GXLHCPLJNOJCFV-KKMKTNMSSA-N 0 0 448.828 7.427 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409209974 557004270 /nfs/dbraw/zinc/00/42/70/557004270.db2.gz KDOFUIADOMJODE-BUVRLJJBSA-N 0 0 445.924 5.266 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccccc1F ZINC000409210075 557004585 /nfs/dbraw/zinc/00/45/85/557004585.db2.gz KTWLQXZMQWVLNB-LGJNPRDNSA-N 0 0 442.328 6.543 40 30 IKEBRN Clc1ccc(COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c(Cl)c1 ZINC000409210303 557004837 /nfs/dbraw/zinc/00/48/37/557004837.db2.gz JGFDBGRQCXNECF-OPEKNORGSA-N 0 0 425.142 7.630 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409210473 557005113 /nfs/dbraw/zinc/00/51/13/557005113.db2.gz KJDMNURZFMLQSM-LGJNPRDNSA-N 0 0 443.330 6.079 40 30 IKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(C)c(Cl)c2)cc1OC ZINC000409211149 557005674 /nfs/dbraw/zinc/00/56/74/557005674.db2.gz MZGGNIYNDVBPHQ-SRZZPIQSSA-N 0 0 441.696 5.577 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)c1 ZINC000409211856 557006426 /nfs/dbraw/zinc/00/64/26/557006426.db2.gz KJABJDVZPFMZBR-LQKURTRISA-N 0 0 444.372 7.549 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409211918 557006647 /nfs/dbraw/zinc/00/66/47/557006647.db2.gz KSXCMHSMDDQCKR-ZVHZXABRSA-N 0 0 429.925 5.484 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc32)c1 ZINC000409211891 557006675 /nfs/dbraw/zinc/00/66/75/557006675.db2.gz KPHWSJGIBXRSCX-LQKURTRISA-N 0 0 444.372 7.549 40 30 IKEBRN CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])c(Cl)cc2Cl)sc2c1CCCC2 ZINC000409212192 557006836 /nfs/dbraw/zinc/00/68/36/557006836.db2.gz NVCJIQITSZIGHO-ZVBGSRNCSA-N 0 0 427.309 5.769 40 30 IKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409212301 557006881 /nfs/dbraw/zinc/00/68/81/557006881.db2.gz POWWGSASNWGILZ-LGJNPRDNSA-N 0 0 442.328 6.543 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409212447 557007120 /nfs/dbraw/zinc/00/71/20/557007120.db2.gz QCWZDNUAJHIYJW-KKMKTNMSSA-N 0 0 448.828 7.427 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409212543 557007161 /nfs/dbraw/zinc/00/71/61/557007161.db2.gz QXBMFIQLILNARA-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409212830 557007290 /nfs/dbraw/zinc/00/72/90/557007290.db2.gz QXZNQHUNCUBXET-FMCGGJTJSA-N 0 0 435.465 5.237 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1 ZINC000409213131 557007575 /nfs/dbraw/zinc/00/75/75/557007575.db2.gz SPFSGXQNCACQOX-MFKUBSTISA-N 0 0 437.337 5.780 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)c1C ZINC000409213449 557007825 /nfs/dbraw/zinc/00/78/25/557007825.db2.gz VJLCSNYUZNNMGV-WKULSOCRSA-N 0 0 434.366 8.093 40 30 IKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409213341 557007829 /nfs/dbraw/zinc/00/78/29/557007829.db2.gz SMKUXEKTLBBURV-LGJNPRDNSA-N 0 0 442.328 6.543 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000409213582 557008060 /nfs/dbraw/zinc/00/80/60/557008060.db2.gz PXMKYHRQTKUNLY-VULFUBBASA-N 0 0 438.911 5.434 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000409213732 557008420 /nfs/dbraw/zinc/00/84/20/557008420.db2.gz QNUNFSWMDAXVOK-MZJWZYIUSA-N 0 0 441.358 6.632 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000409214101 557008666 /nfs/dbraw/zinc/00/86/66/557008666.db2.gz RCLYTRCFHNUYDM-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN COC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)o2)c(C)c1 ZINC000409214271 557008876 /nfs/dbraw/zinc/00/88/76/557008876.db2.gz XCZLJUZAMKYSPM-PEOCZFDFSA-N 0 0 426.538 5.131 40 30 IKEBRN C#CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1Br ZINC000409214893 557009431 /nfs/dbraw/zinc/00/94/31/557009431.db2.gz ZOHHVEWOANLXNI-UFFVCSGVSA-N 0 0 441.550 5.936 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)c1 ZINC000409214963 557009638 /nfs/dbraw/zinc/00/96/38/557009638.db2.gz VNDHOXTXTURCBX-WKULSOCRSA-N 0 0 434.366 8.093 40 30 IKEBRN C#CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br ZINC000409193291 557010038 /nfs/dbraw/zinc/01/00/38/557010038.db2.gz ILVMXJFAHQQNIB-GZTJUZNOSA-N 0 0 448.725 5.355 40 30 IKEBRN CCN1c2ccccc2/C(=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)C1=O ZINC000409192862 557010068 /nfs/dbraw/zinc/01/00/68/557010068.db2.gz GFRPQCOENXSXAB-HPNDGRJYSA-N 0 0 429.545 5.367 40 30 IKEBRN CCn1c(Sc2ccc([N+](=O)[O-])cc2/C=N/c2ccc(OC)cc2)nnc1-c1ccco1 ZINC000409191801 557010083 /nfs/dbraw/zinc/01/00/83/557010083.db2.gz NPNTXBSNIXOWQA-OEAKJJBVSA-N 0 0 449.492 5.377 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(C)cc1 ZINC000409215455 557010263 /nfs/dbraw/zinc/01/02/63/557010263.db2.gz ZEAFHNNADCDWOT-TWKHWXDSSA-N 0 0 437.539 7.516 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)c1 ZINC000409215535 557010433 /nfs/dbraw/zinc/01/04/33/557010433.db2.gz ARIOHBRSPQPDEV-LQKURTRISA-N 0 0 444.372 7.549 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409216047 557010918 /nfs/dbraw/zinc/01/09/18/557010918.db2.gz HNPPFHAWAZXKPU-JFLMPSFJSA-N 0 0 428.359 7.284 40 30 IKEBRN Fc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000409216027 557010977 /nfs/dbraw/zinc/01/09/77/557010977.db2.gz HLUWVJFFTHMGCR-STBIYBPSSA-N 0 0 431.894 7.601 40 30 IKEBRN COc1ccc(N=Cc2ccc(Sc3n[nH]c(-c4ccccc4)n3)c([N+](=O)[O-])c2)cc1 ZINC000409195477 557011115 /nfs/dbraw/zinc/01/11/15/557011115.db2.gz VIFJLOAICRUZTJ-OEAKJJBVSA-N 0 0 431.477 5.290 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409216334 557011214 /nfs/dbraw/zinc/01/12/14/557011214.db2.gz HIVVGQIHXWJOEF-UVHMKAGCSA-N 0 0 432.322 7.169 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)c1C ZINC000409216338 557011229 /nfs/dbraw/zinc/01/12/29/557011229.db2.gz JZYXHDDZUYTKQR-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1cccc2ccccc21 ZINC000409216838 557011848 /nfs/dbraw/zinc/01/18/48/557011848.db2.gz OVNBKJBFPUITGX-BOSNEQTGSA-N 0 0 431.605 6.336 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OCC)cc1 ZINC000409217003 557011876 /nfs/dbraw/zinc/01/18/76/557011876.db2.gz NAXMEXFISDUTGD-CIAFOILYSA-N 0 0 439.147 5.926 40 30 IKEBRN N#Cc1ccccc1COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1Br ZINC000409197365 557012125 /nfs/dbraw/zinc/01/21/25/557012125.db2.gz CVPVQUZRFYIJCX-YBFXNURJSA-N 0 0 431.289 5.392 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000409217403 557012269 /nfs/dbraw/zinc/01/22/69/557012269.db2.gz UHQLCXVLVAJURZ-AFUMVMLFSA-N 0 0 444.756 6.831 40 30 IKEBRN CCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409217369 557012285 /nfs/dbraw/zinc/01/22/85/557012285.db2.gz PNPXPILUUVQUGT-BUVRLJJBSA-N 0 0 426.310 6.399 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409217778 557012442 /nfs/dbraw/zinc/01/24/42/557012442.db2.gz WNFKKJHPQUCGST-FOKLQQMPSA-N 0 0 446.246 6.661 40 30 IKEBRN S=C(NCc1ccccc1)N/N=C\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409218154 557012580 /nfs/dbraw/zinc/01/25/80/557012580.db2.gz SUIDWBDDONNOFT-YKQZZPSBSA-N 0 0 448.595 5.841 40 30 IKEBRN COc1c(Cl)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br ZINC000409218430 557012589 /nfs/dbraw/zinc/01/25/89/557012589.db2.gz VGAGJOQIVKWLEW-GUVYHVJLSA-N 0 0 431.783 5.200 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl ZINC000409218197 557012655 /nfs/dbraw/zinc/01/26/55/557012655.db2.gz TVEQMIFTWCWCEL-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN Cc1c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc2n1Cc1ccccc1 ZINC000409199001 557012705 /nfs/dbraw/zinc/01/27/05/557012705.db2.gz APDYJTDSXQVTQZ-BOSNEQTGSA-N 0 0 431.605 6.087 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc(OCC)c1OCC ZINC000409198600 557012711 /nfs/dbraw/zinc/01/27/11/557012711.db2.gz IJCMYZFFICVDJF-XSFVSMFZSA-N 0 0 442.606 5.168 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br ZINC000409199404 557012948 /nfs/dbraw/zinc/01/29/48/557012948.db2.gz CLYHOODRUYOWEQ-XYPGZMMYSA-N 0 0 439.419 5.716 40 30 IKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OCC)cc1 ZINC000409199365 557012965 /nfs/dbraw/zinc/01/29/65/557012965.db2.gz CMRPVJKPHPPWGX-CIAFOILYSA-N 0 0 441.163 6.150 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409219059 557013142 /nfs/dbraw/zinc/01/31/42/557013142.db2.gz MTIMZMHOZZVZSG-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 ZINC000409200170 557013209 /nfs/dbraw/zinc/01/32/09/557013209.db2.gz HGPMRRZMVAZEMI-MFKUBSTISA-N 0 0 440.337 6.186 40 30 IKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409199935 557013376 /nfs/dbraw/zinc/01/33/76/557013376.db2.gz FXCWIZDJBZHNBE-LGJNPRDNSA-N 0 0 443.330 6.079 40 30 IKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409200683 557013693 /nfs/dbraw/zinc/01/36/93/557013693.db2.gz JRRFKKSKWQPWTD-YDZHTSKRSA-N 0 0 441.281 5.696 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1C ZINC000409202368 557013704 /nfs/dbraw/zinc/01/37/04/557013704.db2.gz SCSPGNPGMZYACF-ZMOGYAJESA-N 0 0 439.309 6.304 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1C ZINC000409201101 557014010 /nfs/dbraw/zinc/01/40/10/557014010.db2.gz LUNJWCJQEIKKHQ-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000409201291 557014318 /nfs/dbraw/zinc/01/43/18/557014318.db2.gz LBOVKMJDEZUGPS-DHRITJCHSA-N 0 0 444.300 5.935 40 30 IKEBRN Cc1cccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)c1C ZINC000409201270 557014355 /nfs/dbraw/zinc/01/43/55/557014355.db2.gz LBTLUTQMVRYBMH-LQKURTRISA-N 0 0 444.372 7.549 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409202326 557014659 /nfs/dbraw/zinc/01/46/59/557014659.db2.gz RQSJYHGRQMCUCG-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl ZINC000409201917 557014688 /nfs/dbraw/zinc/01/46/88/557014688.db2.gz PCOZOUZEQHAVAL-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409203332 557014916 /nfs/dbraw/zinc/01/49/16/557014916.db2.gz VPMCUMAALWFYOG-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2c(Cl)cccc2Cl)C2=C1CC(C)(C)CC2=O ZINC000409203391 557014918 /nfs/dbraw/zinc/01/49/18/557014918.db2.gz WWTINGOVXVSASS-UHFFFAOYSA-N 0 0 446.418 6.699 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409203935 557015149 /nfs/dbraw/zinc/01/51/49/557015149.db2.gz ZHNXOCPLHCIJDA-DHRITJCHSA-N 0 0 428.301 6.235 40 30 IKEBRN CCOc1cc(Cl)c(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC ZINC000409229112 557015542 /nfs/dbraw/zinc/01/55/42/557015542.db2.gz JYAADLPPUKVHNY-SRWYGHAPSA-N 0 0 446.956 5.380 40 30 IKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409202815 557015564 /nfs/dbraw/zinc/01/55/64/557015564.db2.gz SONARUCBXOCREM-YIUZENNJSA-N 0 0 426.542 5.091 40 30 IKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(F)c1 ZINC000409203026 557015724 /nfs/dbraw/zinc/01/57/24/557015724.db2.gz UHTZYSMKJNEOHK-RDRPBHBLSA-N 0 0 427.475 6.956 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1Cl ZINC000409203021 557015830 /nfs/dbraw/zinc/01/58/30/557015830.db2.gz UHBAICNUSFTEIX-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409236091 557018303 /nfs/dbraw/zinc/01/83/03/557018303.db2.gz QXLWWPKHYKIVJF-AOFZEWBLSA-N 0 0 446.547 6.337 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N/c1ccc(F)cc1 ZINC000409236631 557018563 /nfs/dbraw/zinc/01/85/63/557018563.db2.gz UBBFGABJUDVNHZ-CKAZZZDQSA-N 0 0 435.318 5.221 40 30 IKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1cccc(C)c1C ZINC000409208252 557018550 /nfs/dbraw/zinc/01/85/50/557018550.db2.gz BKQVNSRXOISNBN-SRZZPIQSSA-N 0 0 425.164 6.368 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)SC1=Nc1ccccc1 ZINC000409236621 557018603 /nfs/dbraw/zinc/01/86/03/557018603.db2.gz TZWSWZDLZIJUPH-CMEWOCMCSA-N 0 0 430.598 6.770 40 30 IKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(Br)cc1O ZINC000409208208 557018645 /nfs/dbraw/zinc/01/86/45/557018645.db2.gz AHVIUOXLWDPBCM-DKZNWEEVSA-N 0 0 447.398 5.998 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409237380 557019231 /nfs/dbraw/zinc/01/92/31/557019231.db2.gz WIMYDOARKYDXMO-WRKLRJIISA-N 0 0 449.488 5.487 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409208068 557019514 /nfs/dbraw/zinc/01/95/14/557019514.db2.gz AOLBVLZFLLULQV-HRJIBFCWSA-N 0 0 430.617 7.463 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(C)c(C)c2)cc1 ZINC000409208391 557019651 /nfs/dbraw/zinc/01/96/51/557019651.db2.gz FRMSPNGMAFTJTI-WPWMEQJKSA-N 0 0 429.541 6.283 40 30 IKEBRN C#CCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OCC ZINC000409208412 557019710 /nfs/dbraw/zinc/01/97/10/557019710.db2.gz BMAYCTMCTYZBMD-LPYMAVHISA-N 0 0 433.289 5.069 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409208389 557019762 /nfs/dbraw/zinc/01/97/62/557019762.db2.gz FRLLEXYHGXCKLL-MZJWZYIUSA-N 0 0 436.939 6.042 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c(C)c1 ZINC000409208493 557019953 /nfs/dbraw/zinc/01/99/53/557019953.db2.gz CMZYMQFXYQCJMB-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409208503 557019968 /nfs/dbraw/zinc/01/99/68/557019968.db2.gz CPPWWBSIFAZXBR-BUVRLJJBSA-N 0 0 429.925 5.565 40 30 IKEBRN CCN1C(=O)/C(=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)SC1=Nc1ccccc1 ZINC000409208827 557019999 /nfs/dbraw/zinc/01/99/99/557019999.db2.gz AJXBETUMVMWMPG-JUQJSGDGSA-N 0 0 444.560 5.113 40 30 IKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1C ZINC000409208771 557020036 /nfs/dbraw/zinc/02/00/36/557020036.db2.gz BZCNLRKJNSLQCW-UFFVCSGVSA-N 0 0 441.550 5.936 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1Cl ZINC000409208750 557020048 /nfs/dbraw/zinc/02/00/48/557020048.db2.gz BXFNVWRWZGQUNV-FOKLQQMPSA-N 0 0 446.246 6.661 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2cc(Cl)ccc2C)c1 ZINC000409208670 557020078 /nfs/dbraw/zinc/02/00/78/557020078.db2.gz DLBCHAKBOYCRGR-MUFRIFMGSA-N 0 0 442.946 6.878 40 30 IKEBRN CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)c(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000409239430 557020792 /nfs/dbraw/zinc/02/07/92/557020792.db2.gz MSDPGLCGJOMWNI-ZXOKNOEDSA-N 0 0 439.943 6.202 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(F)c3)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409239632 557020795 /nfs/dbraw/zinc/02/07/95/557020795.db2.gz HSZHYVGHCXKLCI-YZFSDQBZSA-N 0 0 449.551 5.866 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409210548 557020919 /nfs/dbraw/zinc/02/09/19/557020919.db2.gz KVJSIVADHSJPLO-JVWAILMASA-N 0 0 436.939 6.069 40 30 IKEBRN CCN(CC)c1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)c(OC)c1 ZINC000409240759 557021963 /nfs/dbraw/zinc/02/19/63/557021963.db2.gz HRWBRKSNHISFRK-LRXZINBSSA-N 0 0 427.545 5.304 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409210903 557022885 /nfs/dbraw/zinc/02/28/85/557022885.db2.gz HLOOEISZUUGBRR-ZMOGYAJESA-N 0 0 430.729 6.441 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2cccc(C)c2)cc1 ZINC000409210815 557022993 /nfs/dbraw/zinc/02/29/93/557022993.db2.gz LONKEQPYHBFPQB-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409211234 557023455 /nfs/dbraw/zinc/02/34/55/557023455.db2.gz IHTDTTUSTVYYEJ-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(Cl)cc2)c(Br)c1 ZINC000409211315 557023587 /nfs/dbraw/zinc/02/35/87/557023587.db2.gz LLWYZNUEGRJENW-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc32)S/C1=N/c1ccc(F)cc1 ZINC000409231871 557023611 /nfs/dbraw/zinc/02/36/11/557023611.db2.gz LGRXTCWJASKVEJ-VBJFXANNSA-N 0 0 436.508 5.620 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1F ZINC000409211257 557023629 /nfs/dbraw/zinc/02/36/29/557023629.db2.gz MUUZGVRMDSQCEP-UVHMKAGCSA-N 0 0 432.322 7.169 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000409232965 557024726 /nfs/dbraw/zinc/02/47/26/557024726.db2.gz JGQZYKGHNOTYJO-DZUMZMOTSA-N 0 0 430.957 5.726 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409211943 557025635 /nfs/dbraw/zinc/02/56/35/557025635.db2.gz PHORVJBAGPTDQQ-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN Cc1c(Cl)cccc1/N=C\c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 ZINC000409211889 557025668 /nfs/dbraw/zinc/02/56/68/557025668.db2.gz OMWAYXALPXNBMU-ZRGSRPPYSA-N 0 0 434.801 7.118 40 30 IKEBRN Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccccc3C)cc2Cl)c1 ZINC000409212389 557025838 /nfs/dbraw/zinc/02/58/38/557025838.db2.gz QYFMWPVZGOTTRL-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409212250 557025876 /nfs/dbraw/zinc/02/58/76/557025876.db2.gz OZLDTXMSODDMMM-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1C ZINC000409212291 557025934 /nfs/dbraw/zinc/02/59/34/557025934.db2.gz PNWTUUWQVHZTOW-UFFVCSGVSA-N 0 0 441.550 5.936 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc(Cl)c1OC ZINC000409235176 557026078 /nfs/dbraw/zinc/02/60/78/557026078.db2.gz YUJKEPLMTVSANN-LICLKQGHSA-N 0 0 437.348 5.601 40 30 IKEBRN CC(=O)Nc1c(C#N)s/c(=N/C(=N/c2ccccc2)c2ccccc2)n1-c1ccccc1 ZINC000109505058 557026173 /nfs/dbraw/zinc/02/61/73/557026173.db2.gz XXBJMNNLTGNAOV-UYOKXFJSSA-N 0 0 437.528 5.048 40 30 IKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1OCC(C)C ZINC000409212587 557026328 /nfs/dbraw/zinc/02/63/28/557026328.db2.gz NGUKWDJFYREBCW-HUZSXYRPSA-N 0 0 438.637 6.955 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Br)c1OCC ZINC000409213427 557026510 /nfs/dbraw/zinc/02/65/10/557026510.db2.gz UXDSOBBGEZCJQW-PCLIKHOPSA-N 0 0 440.337 6.789 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409235422 557026495 /nfs/dbraw/zinc/02/64/95/557026495.db2.gz PQNUFZKJEKQERO-HTEZIOAISA-N 0 0 437.452 5.618 40 30 IKEBRN Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc32)c(C)c1 ZINC000409212673 557026542 /nfs/dbraw/zinc/02/65/42/557026542.db2.gz ROYDHTYUCYOOJK-JVWAILMASA-N 0 0 449.959 6.628 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409244672 557026747 /nfs/dbraw/zinc/02/67/47/557026747.db2.gz HCGWSBCJHJTUBW-CWFNPDHMSA-N 0 0 434.561 6.601 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(OCC)c2)cc1 ZINC000409213061 557027089 /nfs/dbraw/zinc/02/70/89/557027089.db2.gz SBHRUAYMYHYDMI-VUTHCHCSSA-N 0 0 425.528 6.967 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000409213079 557027142 /nfs/dbraw/zinc/02/71/42/557027142.db2.gz OHHUAFFUOBOBPZ-MFKUBSTISA-N 0 0 440.337 6.186 40 30 IKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409213177 557027144 /nfs/dbraw/zinc/02/71/44/557027144.db2.gz SQUOTEJOZPGEKT-YDZHTSKRSA-N 0 0 425.282 5.995 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409214049 557027265 /nfs/dbraw/zinc/02/72/65/557027265.db2.gz XHJDVSPQYCCUQS-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(Br)c([N+](=O)[O-])c3)sc2C1 ZINC000409214086 557027300 /nfs/dbraw/zinc/02/73/00/557027300.db2.gz XWBKAMHDXSCUSC-HKNSOBRKSA-N 0 0 446.370 6.192 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409214067 557027342 /nfs/dbraw/zinc/02/73/42/557027342.db2.gz XNTCAXFCGDLMLD-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409214501 557027442 /nfs/dbraw/zinc/02/74/42/557027442.db2.gz VMWOIFCKVNQWIE-MUFRIFMGSA-N 0 0 429.947 7.448 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409213644 557027713 /nfs/dbraw/zinc/02/77/13/557027713.db2.gz UGDDLNBTGPFGPC-ZXVVBBHZSA-N 0 0 443.524 6.306 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3cccc4ccccc43)cc2)C(=O)N1C(C)C ZINC000409213546 557027772 /nfs/dbraw/zinc/02/77/72/557027772.db2.gz UJNNNGKYRIFGBQ-PIINERKHSA-N 0 0 444.600 6.508 40 30 IKEBRN N#Cc1c(/N=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)sc2c1CCCC2 ZINC000409214771 557028052 /nfs/dbraw/zinc/02/80/52/557028052.db2.gz ULRGUBZDJUAWEI-KBVAKVRCSA-N 0 0 445.591 7.405 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409215165 557028211 /nfs/dbraw/zinc/02/82/11/557028211.db2.gz XSUJZQPVRVFZEV-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409215190 557028393 /nfs/dbraw/zinc/02/83/93/557028393.db2.gz YFMFMOHYLPKJLZ-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409214655 557029524 /nfs/dbraw/zinc/02/95/24/557029524.db2.gz ZFMVXGPOYFMLEV-VULFUBBASA-N 0 0 438.365 6.713 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409214675 557029528 /nfs/dbraw/zinc/02/95/28/557029528.db2.gz ZRBBSKSSJMHTKX-YDZHTSKRSA-N 0 0 425.828 6.262 40 30 IKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(CC)cc1 ZINC000409217640 557029929 /nfs/dbraw/zinc/02/99/29/557029929.db2.gz RCHPCIBFKBICGC-CIAFOILYSA-N 0 0 425.164 6.313 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1Cl ZINC000409215858 557030124 /nfs/dbraw/zinc/03/01/24/557030124.db2.gz FVYKSJPOCKYYRO-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccccc2/C=N/c2cccc(Cl)c2C)cc1Cl ZINC000409215771 557030151 /nfs/dbraw/zinc/03/01/51/557030151.db2.gz ATFGLXWQRJNSBS-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1 ZINC000409215881 557030241 /nfs/dbraw/zinc/03/02/41/557030241.db2.gz GBRMUBSMBHLCBK-ZMOGYAJESA-N 0 0 439.309 6.304 40 30 IKEBRN C=CCOc1c(/C=C2\SC(=S)N(c3cccc(SC)c3)C2=O)cccc1OC ZINC000408526299 557030301 /nfs/dbraw/zinc/03/03/01/557030301.db2.gz ANOIFNQEXKLPLH-PDGQHHTCSA-N 0 0 429.588 5.388 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3c(C)cccc3C)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409250039 557030540 /nfs/dbraw/zinc/03/05/40/557030540.db2.gz VVJLFYDRDRWQSY-XNMVVWAFSA-N 0 0 447.579 6.474 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409216030 557030536 /nfs/dbraw/zinc/03/05/36/557030536.db2.gz HMCLWXNMDDVIAV-ZVHZXABRSA-N 0 0 435.436 6.061 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)N1C(C)C ZINC000409216150 557030564 /nfs/dbraw/zinc/03/05/64/557030564.db2.gz FRMJHGHRBGLOSR-FTIPTLOASA-N 0 0 432.387 5.329 40 30 IKEBRN Clc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)c1 ZINC000409216479 557030895 /nfs/dbraw/zinc/03/08/95/557030895.db2.gz LQTZKDKWGIGRTI-STBIYBPSSA-N 0 0 448.349 8.115 40 30 IKEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408528019 557030866 /nfs/dbraw/zinc/03/08/66/557030866.db2.gz CAFDBISZMNWPAJ-HAHDFKILSA-N 0 0 448.519 5.695 40 30 IKEBRN COc1cc(/C=N/c2cc(C)ccc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409216515 557031004 /nfs/dbraw/zinc/03/10/04/557031004.db2.gz ITQBCLKFSAYLRP-UVHMKAGCSA-N 0 0 444.409 6.782 40 30 IKEBRN Clc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409216895 557031230 /nfs/dbraw/zinc/03/12/30/557031230.db2.gz PPBVRTOVFPDKMX-STBIYBPSSA-N 0 0 448.349 8.115 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc(Br)c1OC(C)C ZINC000408529543 557031401 /nfs/dbraw/zinc/03/14/01/557031401.db2.gz IMWYMJCTDVBMAB-BOPFTXTBSA-N 0 0 447.354 5.137 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000409217242 557031557 /nfs/dbraw/zinc/03/15/57/557031557.db2.gz TZUVPJJLVSDDPM-BUVRLJJBSA-N 0 0 445.924 5.266 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)S2)cc1 ZINC000408529924 557031544 /nfs/dbraw/zinc/03/15/44/557031544.db2.gz HYCZURZHTLUXQG-HMAPJEAMSA-N 0 0 445.500 5.374 40 30 IKEBRN Cc1cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000409217413 557031627 /nfs/dbraw/zinc/03/16/27/557031627.db2.gz UKUJVYIXASGBGC-OGLMXYFKSA-N 0 0 443.934 6.685 40 30 IKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000409218246 557031937 /nfs/dbraw/zinc/03/19/37/557031937.db2.gz ZOWCMAXWRNLFCC-XRABMHPCSA-N 0 0 433.980 5.976 40 30 IKEBRN Cc1cccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c1C ZINC000409218067 557032042 /nfs/dbraw/zinc/03/20/42/557032042.db2.gz SLDOYGVGXXCIEV-KKMKTNMSSA-N 0 0 448.828 7.427 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccccc4Cl)c3)S2)cc1 ZINC000408533191 557032306 /nfs/dbraw/zinc/03/23/06/557032306.db2.gz QAYAKJGWFYCPTG-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c1 ZINC000409218602 557032617 /nfs/dbraw/zinc/03/26/17/557032617.db2.gz WCIOHTLKQMVUQB-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/c2ccc(C)c(Cl)c2)cc1 ZINC000409219331 557032761 /nfs/dbraw/zinc/03/27/61/557032761.db2.gz POKKVCZXUJFZEV-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCN1C(=O)C(=Cc2ccc(-c3ccc(C(C)=O)cc3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409242933 557032823 /nfs/dbraw/zinc/03/28/23/557032823.db2.gz PVJHCHQGGPDONS-VBJFXANNSA-N 0 0 434.492 5.912 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409218967 557032974 /nfs/dbraw/zinc/03/29/74/557032974.db2.gz ZCBLPWHUFWBOSH-DHRITJCHSA-N 0 0 428.301 6.235 40 30 IKEBRN CCCCCCCCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1 ZINC000408538998 557033035 /nfs/dbraw/zinc/03/30/35/557033035.db2.gz DEZXBOCGNZCZSN-UHFFFAOYSA-N 0 0 435.608 6.469 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(O)cc3)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409243392 557033204 /nfs/dbraw/zinc/03/32/04/557033204.db2.gz WCQXRWIHYBQEKT-JHXFIANCSA-N 0 0 447.560 5.432 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccccc3Br)c3ccccc32)c1 ZINC000408541035 557033291 /nfs/dbraw/zinc/03/32/91/557033291.db2.gz DHKPDDPRJFVUFW-WGARJPEWSA-N 0 0 447.332 5.989 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N/c1ccc(F)cc1 ZINC000409243623 557033534 /nfs/dbraw/zinc/03/35/34/557033534.db2.gz ZDQZLWHDWNLUDS-HTEZIOAISA-N 0 0 437.452 5.618 40 30 IKEBRN CCCCCCCCOc1c(Cl)cc(C=C2SC(=S)NC2=O)cc1OCC ZINC000408540005 557033897 /nfs/dbraw/zinc/03/38/97/557033897.db2.gz LQLKXEGEBBYXBG-GHRIWEEISA-N 0 0 428.019 5.967 40 30 IKEBRN COc1cc(/C=N/c2cccc(F)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543635 557034531 /nfs/dbraw/zinc/03/45/31/557034531.db2.gz RQJOSLAPLQPBED-RDRPBHBLSA-N 0 0 446.522 5.790 40 30 IKEBRN COc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000408549789 557035225 /nfs/dbraw/zinc/03/52/25/557035225.db2.gz ZBQJPGACCQXOMA-JTUXUYRKSA-N 0 0 430.529 5.821 40 30 IKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccccc2I)cc1 ZINC000408550324 557035797 /nfs/dbraw/zinc/03/57/97/557035797.db2.gz FYGMICSFPSPZCW-HYARGMPZSA-N 0 0 429.257 5.843 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1)S(C)(=O)=O ZINC000408546995 557035880 /nfs/dbraw/zinc/03/58/80/557035880.db2.gz IDRQRCOIHHJBBI-UHFFFAOYSA-N 0 0 438.574 5.042 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1cccc([N+](=O)[O-])c1 ZINC000408557401 557037465 /nfs/dbraw/zinc/03/74/65/557037465.db2.gz NFQQYXFVRUJOCR-UHFFFAOYSA-N 0 0 442.107 5.297 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000408563687 557038759 /nfs/dbraw/zinc/03/87/59/557038759.db2.gz WPLPLUMPSPOJCA-UHFFFAOYSA-N 0 0 428.561 5.247 40 30 IKEBRN CCCCCCCc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1C ZINC000408561200 557039726 /nfs/dbraw/zinc/03/97/26/557039726.db2.gz YVBOVPVVHHSLKP-UHFFFAOYSA-N 0 0 429.615 5.182 40 30 IKEBRN C=CCOc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 ZINC000408562538 557040344 /nfs/dbraw/zinc/04/03/44/557040344.db2.gz ACCQQFAXIHLPTF-SANMLTNESA-N 0 0 444.556 5.278 40 30 IKEBRN C=CCOc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000408562652 557040425 /nfs/dbraw/zinc/04/04/25/557040425.db2.gz DVWGLZZNJAHDHH-AREMUKBSSA-N 0 0 444.556 5.278 40 30 IKEBRN C=CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl ZINC000408572402 557041107 /nfs/dbraw/zinc/04/11/07/557041107.db2.gz RARHHEQGVHJVHF-HXUWFJFHSA-N 0 0 444.944 5.212 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000409221783 557041430 /nfs/dbraw/zinc/04/14/30/557041430.db2.gz VEQXMMRHYWFBGO-AOUVVKEYSA-N 0 0 446.597 6.470 40 30 IKEBRN Cc1ccc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1Br ZINC000408566684 557041658 /nfs/dbraw/zinc/04/16/58/557041658.db2.gz IKGIKJFEXYSEHT-KEBDBYFISA-N 0 0 445.229 5.280 40 30 IKEBRN Cc1nc2ccc(Br)cc2c(=O)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000409277872 557042030 /nfs/dbraw/zinc/04/20/30/557042030.db2.gz BLNNWCALRJQRRN-UHFFFAOYSA-N 0 0 442.316 5.656 40 30 IKEBRN CCOc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1C#N ZINC000408575032 557042256 /nfs/dbraw/zinc/04/22/56/557042256.db2.gz VPHNIQWCYQJWMD-QHCPKHFHSA-N 0 0 441.487 5.426 40 30 IKEBRN Cc1ccc(Oc2ccc(/N=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)cc2)cc1 ZINC000409222290 557044187 /nfs/dbraw/zinc/04/41/87/557044187.db2.gz WNUYMVMOPXNUTA-DXJNIWACSA-N 0 0 434.514 7.680 40 30 IKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(Br)c(C)c3)o2)c(Br)c1 ZINC000409223289 557044613 /nfs/dbraw/zinc/04/46/13/557044613.db2.gz YSWIMWSUWXUBMK-SSDVNMTOSA-N 0 0 433.143 6.839 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)cc1Cl ZINC000408575854 557045529 /nfs/dbraw/zinc/04/55/29/557045529.db2.gz NTOOLZNCTWPMPO-UHFFFAOYSA-N 0 0 431.875 5.129 40 30 IKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 ZINC000408585106 557045876 /nfs/dbraw/zinc/04/58/76/557045876.db2.gz ACTIHQVINTWJOO-UHFFFAOYSA-N 0 0 438.793 7.094 40 30 IKEBRN CCCCCCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 ZINC000408586083 557045949 /nfs/dbraw/zinc/04/59/49/557045949.db2.gz LAMXAUOZLJBLJZ-UHFFFAOYSA-N 0 0 447.575 7.479 40 30 IKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2)cc1C(C)C ZINC000409280231 557045974 /nfs/dbraw/zinc/04/59/74/557045974.db2.gz JRTXQEOVKCERGQ-UHFFFAOYSA-N 0 0 425.532 5.776 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(C)c(Cl)c1 ZINC000408587752 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557140618 /nfs/dbraw/zinc/14/06/18/557140618.db2.gz DFGOUOMQDDYICZ-RPPGKUMJSA-N 0 0 431.294 6.209 40 30 IKEBRN COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1Cl ZINC000409379811 557140623 /nfs/dbraw/zinc/14/06/23/557140623.db2.gz ZRRPWHYPAVZGRQ-RPPGKUMJSA-N 0 0 447.293 5.909 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 ZINC000409379969 557140632 /nfs/dbraw/zinc/14/06/32/557140632.db2.gz DIAMHYCTYUKAHD-RPPGKUMJSA-N 0 0 431.294 6.209 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3cccc(Cl)c3Cl)c2)cc1C ZINC000409381302 557141057 /nfs/dbraw/zinc/14/10/57/557141057.db2.gz FWRSUOGGNOWXRE-ZMFRSBBQSA-N 0 0 427.331 6.378 40 30 IKEBRN O=S(=O)(c1ccc(/N=C/c2ccc(Cl)c(Cl)c2)cc1)N1CCc2ccccc2C1 ZINC000408729310 557141396 /nfs/dbraw/zinc/14/13/96/557141396.db2.gz DJGZNPNIKATHOE-AFUMVMLFSA-N 0 0 445.371 5.491 40 30 IKEBRN O=C(Oc1ccccc1/C=N/c1ccccc1Cl)c1sc2ccccc2c1Cl ZINC000408734232 557141820 /nfs/dbraw/zinc/14/18/20/557141820.db2.gz JDLZBWVWEHQBSJ-DHRITJCHSA-N 0 0 426.324 7.178 40 30 IKEBRN N#Cc1c(/N=C/c2cn(CCC(N)=O)c3ccccc23)oc(-c2ccco2)c1-c1ccco1 ZINC000409388396 557142243 /nfs/dbraw/zinc/14/22/43/557142243.db2.gz VAOLKPBZULTLIO-CCVNUDIWSA-N 0 0 438.443 5.252 40 30 IKEBRN COc1cc(/C=N/c2ccc(F)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000408734619 557142315 /nfs/dbraw/zinc/14/23/15/557142315.db2.gz ZVAZWJSRDKLFKN-LGJNPRDNSA-N 0 0 439.895 6.672 40 30 IKEBRN COc1c(Cl)cc(Cl)cc1CN=Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F ZINC000408734658 557142435 /nfs/dbraw/zinc/14/24/35/557142435.db2.gz BMDMPKMUBRYAOO-PFKHKWDZSA-N 0 0 435.126 6.023 40 30 IKEBRN COC(=O)c1ccc(Cn2cc(/C=N\c3ccc(Cl)cc3Cl)c3ccccc32)o1 ZINC000409390427 557142541 /nfs/dbraw/zinc/14/25/41/557142541.db2.gz FHVFLAOYQGCFDM-GATIEOLUSA-N 0 0 427.287 6.127 40 30 IKEBRN CCOc1cc(-c2nc3ccccn3c2/N=C/c2cccc(Br)c2)ccc1O ZINC000408734997 557142676 /nfs/dbraw/zinc/14/26/76/557142676.db2.gz IPQTWDUKUAJRTQ-ZVHZXABRSA-N 0 0 436.309 5.619 40 30 IKEBRN COc1cc(C=Cc2ccc3[nH]c(=O)[nH]c3c2)ccc1Oc1ccc([N+](=O)[O-])cc1C#N ZINC000408735022 557142718 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5.132 40 30 IKEBRN O=C(Oc1ccccc1CN=Nc1nc(-c2ccccc2)cs1)c1ccc([N+](=O)[O-])cc1 ZINC000408736900 557144456 /nfs/dbraw/zinc/14/44/56/557144456.db2.gz CITJTCZEAKAYMR-ZVHZXABRSA-N 0 0 444.472 5.384 40 30 IKEBRN CC[C@@H](C)n1c(C)c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c2ccccc21 ZINC000409404270 557144647 /nfs/dbraw/zinc/14/46/47/557144647.db2.gz OZKXNCCWPDPTDL-LJQANCHMSA-N 0 0 434.543 6.180 40 30 IKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1cc(C)ccn1 ZINC000409404676 557144737 /nfs/dbraw/zinc/14/47/37/557144737.db2.gz LQNCPJLZHXLKTJ-UHFFFAOYSA-N 0 0 433.515 5.057 40 30 IKEBRN Cc1ccc(Cl)cc1-c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)o1 ZINC000409404475 557144742 /nfs/dbraw/zinc/14/47/42/557144742.db2.gz LPMVVKXVUJWCGQ-UHFFFAOYSA-N 0 0 439.902 6.168 40 30 IKEBRN Cc1ccc(Sc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)o2)cc1 ZINC000409407904 557145033 /nfs/dbraw/zinc/14/50/33/557145033.db2.gz VYZPLGKOQVMIRJ-UHFFFAOYSA-N 0 0 437.524 5.998 40 30 IKEBRN CC(C)(C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409407494 557145062 /nfs/dbraw/zinc/14/50/62/557145062.db2.gz UGMMRZNNRQELMG-UHFFFAOYSA-N 0 0 442.475 5.031 40 30 IKEBRN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1cccc2ncccc12 ZINC000006136066 557145613 /nfs/dbraw/zinc/14/56/13/557145613.db2.gz XHBNXJZTCBXPRU-JXAXBCJLSA-N 0 0 430.558 5.395 40 30 IKEBRN Cc1cc(/C=N/c2ccc(-c3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408738272 557146643 /nfs/dbraw/zinc/14/66/43/557146643.db2.gz JPGLMZYYSBPTME-WPWMEQJKSA-N 0 0 429.361 7.274 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)cc1Cl ZINC000408738714 557148066 /nfs/dbraw/zinc/14/80/66/557148066.db2.gz MZAIIUDDKKBYJU-XKZIYDEJSA-N 0 0 434.948 6.119 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)ccc1OCC(C)C ZINC000408738915 557148072 /nfs/dbraw/zinc/14/80/72/557148072.db2.gz PYFLDSREOLOUBN-JMIUGGIZSA-N 0 0 430.957 5.583 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)c(C)c3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740324 557149011 /nfs/dbraw/zinc/14/90/11/557149011.db2.gz KBXFHURNQUXBSD-BUVRLJJBSA-N 0 0 444.604 5.669 40 30 IKEBRN Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740741 557149044 /nfs/dbraw/zinc/14/90/44/557149044.db2.gz MAODKTHCZBAICC-OEAKJJBVSA-N 0 0 443.332 5.515 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)C(=CC3=CC(=NNc4ccccc4)C=CC3=O)S2)cc1 ZINC000408740891 557149169 /nfs/dbraw/zinc/14/91/69/557149169.db2.gz IYDVYTOHSWVZLX-KXXSZAMISA-N 0 0 444.516 6.098 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741146 557149486 /nfs/dbraw/zinc/14/94/86/557149486.db2.gz ODLZYJDOGTYNDR-LPYMAVHISA-N 0 0 435.980 6.256 40 30 IKEBRN Cc1cc(C=NC2C=C[C@@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741613 557149677 /nfs/dbraw/zinc/14/96/77/557149677.db2.gz QVQREHMXYKQWFH-XYMVXJRKSA-N 0 0 434.539 5.895 40 30 IKEBRN COc1ccc(C2=C/C(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)C(=O)O2)cc1 ZINC000408742164 557149990 /nfs/dbraw/zinc/14/99/90/557149990.db2.gz NNBWMPJVOJAVDD-HYARGMPZSA-N 0 0 432.479 5.551 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408742665 557150347 /nfs/dbraw/zinc/15/03/47/557150347.db2.gz XQPDTKJWNJYNTH-UUYOSTAYSA-N 0 0 435.980 6.256 40 30 IKEBRN CC(=O)c1cccc(N=Cc2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000408742479 557150398 /nfs/dbraw/zinc/15/03/98/557150398.db2.gz WSLOWYOXWZHAEY-WEMUVCOSSA-N 0 0 440.546 7.765 40 30 IKEBRN CCOC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000408739679 557151048 /nfs/dbraw/zinc/15/10/48/557151048.db2.gz ZFWGLOXKVWTQQK-ZVHZXABRSA-N 0 0 425.326 5.784 40 30 IKEBRN CC1=CC(=CN=Nc2ccc([N+](=O)[O-])cn2)C(C)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408749172 557156281 /nfs/dbraw/zinc/15/62/81/557156281.db2.gz FCWZTSWXWSUGRV-TVWCRUNBSA-N 0 0 440.503 6.027 40 30 IKEBRN N#Cc1ccccc1CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 ZINC000408748857 557156320 /nfs/dbraw/zinc/15/63/20/557156320.db2.gz CIRMREFIPVQCNJ-UHFFFAOYSA-N 0 0 435.961 6.366 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C/c1cccc(Oc2ccccc2)c1 ZINC000408749021 557156380 /nfs/dbraw/zinc/15/63/80/557156380.db2.gz KAMRGAJWHBOYGX-UDWIEESQSA-N 0 0 441.339 6.677 40 30 IKEBRN N#Cc1ccccc1COc1c(Cl)cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1Cl ZINC000408749571 557156656 /nfs/dbraw/zinc/15/66/56/557156656.db2.gz HQKOHTCIIUJSRI-MRUKODCESA-N 0 0 442.262 5.193 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000408749350 557156689 /nfs/dbraw/zinc/15/66/89/557156689.db2.gz NNNNLOYBRVHVGX-VCHYOVAHSA-N 0 0 449.746 6.798 40 30 IKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000006177258 557157141 /nfs/dbraw/zinc/15/71/41/557157141.db2.gz JNAAZPVXVYVNER-RTXGADQUSA-N 0 0 431.319 5.224 40 30 IKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@@H]2c1ccc(Cl)c(Cl)c1 ZINC000006177270 557157259 /nfs/dbraw/zinc/15/72/59/557157259.db2.gz JNAAZPVXVYVNER-ZUNHGIIWSA-N 0 0 431.319 5.224 40 30 IKEBRN COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OCC#N ZINC000106716419 557158901 /nfs/dbraw/zinc/15/89/01/557158901.db2.gz KFWXTVBXENJOCN-ZDLGFXPLSA-N 0 0 449.315 5.141 40 30 IKEBRN C#CCOc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1OC ZINC000106717930 557158922 /nfs/dbraw/zinc/15/89/22/557158922.db2.gz BIGPMOYISWQFPJ-ODLFYWEKSA-N 0 0 448.327 5.251 40 30 IKEBRN N#Cc1ccccc1CSc1nc2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2s1 ZINC000408751053 557159765 /nfs/dbraw/zinc/15/97/65/557159765.db2.gz VUJMBDSISWVPRI-ROUUACIJSA-N 0 0 433.558 5.140 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(OC)c1OC ZINC000106734241 557159815 /nfs/dbraw/zinc/15/98/15/557159815.db2.gz BIFZVEYICBDRQS-GRSHGNNSSA-N 0 0 447.915 5.461 40 30 IKEBRN N#Cc1ccccc1CSc1nc2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2s1 ZINC000408751051 557159808 /nfs/dbraw/zinc/15/98/08/557159808.db2.gz VUJMBDSISWVPRI-HDICACEKSA-N 0 0 433.558 5.140 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(OC)c1O ZINC000106733559 557159864 /nfs/dbraw/zinc/15/98/64/557159864.db2.gz MUVPITRABYHEDE-ZDLGFXPLSA-N 0 0 433.888 5.158 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(OC)c1OC ZINC000106736780 557160186 /nfs/dbraw/zinc/16/01/86/557160186.db2.gz QXACIUQDEZTNMO-ODLFYWEKSA-N 0 0 447.915 5.461 40 30 IKEBRN Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1 ZINC000408752154 557160332 /nfs/dbraw/zinc/16/03/32/557160332.db2.gz GFMBKAYKHGYISA-YBFXNURJSA-N 0 0 439.880 5.708 40 30 IKEBRN O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cccc(Oc2ccccc2)c1 ZINC000408749916 557161088 /nfs/dbraw/zinc/16/10/88/557161088.db2.gz UYFSXJRWYOVNDP-UDWIEESQSA-N 0 0 441.339 6.677 40 30 IKEBRN Cc1cc(/C=N\c2ccc(I)cc2C)c(C)n1-c1cccc(C)c1 ZINC000408752916 557163657 /nfs/dbraw/zinc/16/36/57/557163657.db2.gz DJMBMZGMSLEZFI-QRVIBDJDSA-N 0 0 428.317 6.066 40 30 IKEBRN O=C1NC(=Nc2ccc([N+](=O)[O-])cc2Cl)S/C1=C/c1ccc(Cl)cc1Cl ZINC000408753444 557164281 /nfs/dbraw/zinc/16/42/81/557164281.db2.gz PYXWAGLBMNTWBR-LHHJGKSTSA-N 0 0 428.684 5.447 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=N\NS(=O)(=O)c3ccc4ccccc4c3)c2C)cc1 ZINC000408753379 557164319 /nfs/dbraw/zinc/16/43/19/557164319.db2.gz MICCYTFUGMONHY-ONUIUJJFSA-N 0 0 431.561 5.122 40 30 IKEBRN Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1cccc(Cl)c1 ZINC000408755435 557167737 /nfs/dbraw/zinc/16/77/37/557167737.db2.gz UVXYHLGSSYQALM-UUYOSTAYSA-N 0 0 434.708 6.103 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)S2)cc1 ZINC000408756665 557168759 /nfs/dbraw/zinc/16/87/59/557168759.db2.gz TYMNTYOAVUDQMM-JLPGSUDCSA-N 0 0 429.589 6.111 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408757041 557169393 /nfs/dbraw/zinc/16/93/93/557169393.db2.gz WBTJRWDVBOYQMT-XKZIYDEJSA-N 0 0 435.980 6.256 40 30 IKEBRN O=C1/C(=C/c2ccccc2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000108866450 557169616 /nfs/dbraw/zinc/16/96/16/557169616.db2.gz DVQCBBLRVBYYFY-UDGIJHFQSA-N 0 0 425.340 6.802 40 30 IKEBRN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000008766003 557170915 /nfs/dbraw/zinc/17/09/15/557170915.db2.gz XWEZWGZDTAQNOQ-ZDLGFXPLSA-N 0 0 433.291 6.284 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)cc2)cc1 ZINC000408758151 557171658 /nfs/dbraw/zinc/17/16/58/557171658.db2.gz GYZWTDDHVISUQW-OGLMXYFKSA-N 0 0 430.935 7.299 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)S2)cc1 ZINC000408761168 557175640 /nfs/dbraw/zinc/17/56/40/557175640.db2.gz BYJMYMKVEDURFR-XKZIYDEJSA-N 0 0 446.532 5.456 40 30 IKEBRN Cc1cc(/C=N\c2ccc(I)cc2)c(C)n1-c1cccc(Cl)c1 ZINC000408762079 557176215 /nfs/dbraw/zinc/17/62/15/557176215.db2.gz CMOIMZFJVXCGRT-UUYOSTAYSA-N 0 0 434.708 6.103 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 ZINC000408759630 557177689 /nfs/dbraw/zinc/17/76/89/557177689.db2.gz IHLXQVFYZHTHIM-HAHDFKILSA-N 0 0 432.520 5.859 40 30 IKEBRN C=CCn1nnnc1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000022110694 557178689 /nfs/dbraw/zinc/17/86/89/557178689.db2.gz PJPODJHUJFILGA-UHFFFAOYSA-N 0 0 440.334 5.510 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)S2)cc1 ZINC000408763625 557180987 /nfs/dbraw/zinc/18/09/87/557180987.db2.gz OITCSWTZKRCZTH-HYARGMPZSA-N 0 0 446.532 5.456 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)S2)cc1 ZINC000408764021 557182138 /nfs/dbraw/zinc/18/21/38/557182138.db2.gz HXHMXNHMOOPDMW-WQRHYEAKSA-N 0 0 429.328 6.453 40 30 IKEBRN CCCCCCCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 ZINC000408764543 557182490 /nfs/dbraw/zinc/18/24/90/557182490.db2.gz UNPSXKZCCTYOHF-QNGOZBTKSA-N 0 0 442.353 6.143 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OCC ZINC000408764936 557182783 /nfs/dbraw/zinc/18/27/83/557182783.db2.gz UIFICAFMQIZKMN-ZHZULCJRSA-N 0 0 442.968 5.758 40 30 IKEBRN Cc1cc(C)c(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)c1 ZINC000408765212 557185201 /nfs/dbraw/zinc/18/52/01/557185201.db2.gz OMIGTTWPEHEHCI-ZDLGFXPLSA-N 0 0 429.383 5.883 40 30 IKEBRN O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1ccc2c3c(cccc31)CC2 ZINC000408765367 557186204 /nfs/dbraw/zinc/18/62/04/557186204.db2.gz LIESOPCEQSHTLF-UNOMPAQXSA-N 0 0 435.346 5.593 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)S2)cc1 ZINC000408765670 557188341 /nfs/dbraw/zinc/18/83/41/557188341.db2.gz ZIRUEXOAOOWRMG-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1 ZINC000408766495 557188693 /nfs/dbraw/zinc/18/86/93/557188693.db2.gz RLSPIHXURNICDN-HYARGMPZSA-N 0 0 435.980 6.202 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(Br)c1O ZINC000408766502 557188744 /nfs/dbraw/zinc/18/87/44/557188744.db2.gz UZKYNJIIMYVTFQ-PDGQHHTCSA-N 0 0 443.366 5.337 40 30 IKEBRN CCOc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1O ZINC000408768019 557190289 /nfs/dbraw/zinc/19/02/89/557190289.db2.gz BFMIXGAHDXRUGT-YUMHPJSZSA-N 0 0 434.561 5.412 40 30 IKEBRN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2cc(C)n(-c3c(C)cccc3C)c2C)C1=O ZINC000408772301 557195252 /nfs/dbraw/zinc/19/52/52/557195252.db2.gz KMDZAMXIOKSNCV-JLPGSUDCSA-N 0 0 440.543 5.588 40 30 IKEBRN CCc1ccc(/N=C/c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cc1 ZINC000408771876 557195898 /nfs/dbraw/zinc/19/58/98/557195898.db2.gz JTOVMBCWURZOQT-ZVHZXABRSA-N 0 0 442.344 6.320 40 30 IKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)c2c1 ZINC000408774438 557196781 /nfs/dbraw/zinc/19/67/81/557196781.db2.gz XAZOVUBFCQPCAD-HAHDFKILSA-N 0 0 432.545 5.837 40 30 IKEBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 ZINC000408774392 557196898 /nfs/dbraw/zinc/19/68/98/557196898.db2.gz VQENDKRBUJOSII-RISWYLRJSA-N 0 0 441.556 5.299 40 30 IKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)cc(Br)c1OC(C)C ZINC000008811950 557197871 /nfs/dbraw/zinc/19/78/71/557197871.db2.gz NFPIYUPYPWCZBU-SSDVNMTOSA-N 0 0 425.754 5.412 40 30 IKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=C3/SC(=Nc4cccc(C)c4)NC3=O)c2c1 ZINC000408775931 557200151 /nfs/dbraw/zinc/20/01/51/557200151.db2.gz WYBNYBWZHWPFQG-HZHRSRAPSA-N 0 0 439.540 6.044 40 30 IKEBRN Cc1ccc(-n2s/c(=N/C(=N/c3ccccc3)c3ccccc3)nc2-c2ccccc2)cc1 ZINC000100942941 557203115 /nfs/dbraw/zinc/20/31/15/557203115.db2.gz MMPMPNYEMKILJC-VAGFOZCCSA-N 0 0 446.579 6.588 40 30 IKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)S1 ZINC000408780875 557205664 /nfs/dbraw/zinc/20/56/64/557205664.db2.gz MMJJDGAWHQCJCD-PDGQHHTCSA-N 0 0 432.530 5.507 40 30 IKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000408793297 557212624 /nfs/dbraw/zinc/21/26/24/557212624.db2.gz DNNPJVWPULZBBC-QHCPKHFHSA-N 0 0 430.548 5.352 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)NCCc1ccccc1 ZINC000408806583 557218372 /nfs/dbraw/zinc/21/83/72/557218372.db2.gz FNNFQYYDXKVBCN-DICXZTSXSA-N 0 0 427.331 5.482 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408811532 557222291 /nfs/dbraw/zinc/22/22/91/557222291.db2.gz MNGAXKVAFDYZDH-MOSHPQCFSA-N 0 0 427.497 5.198 40 30 IKEBRN O=C(COc1ccc(/C=N\c2cccc(Br)c2)cc1)Nc1ccc(F)cc1 ZINC000408808792 557223016 /nfs/dbraw/zinc/22/30/16/557223016.db2.gz GBQWTSLAFJAHPJ-CFRMEGHHSA-N 0 0 427.273 5.356 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2cccc(C)c2)NC1=O ZINC000408808324 557223035 /nfs/dbraw/zinc/22/30/35/557223035.db2.gz FSQBFYODONPJDL-PDGQHHTCSA-N 0 0 429.339 5.214 40 30 IKEBRN O=C1C[C@H](c2ccco2)CC2=C1C(c1ccccc1)C1=C(C[C@@H](c3ccco3)CC1=O)N2 ZINC000022469359 557223766 /nfs/dbraw/zinc/22/37/66/557223766.db2.gz WYYCOWWTNRYIAQ-QZTJIDSGSA-N 0 0 425.484 5.361 40 30 IKEBRN C=CCOc1cc(Br)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408813953 557227160 /nfs/dbraw/zinc/22/71/60/557227160.db2.gz FJACHIZOTFUDCI-WQRHYEAKSA-N 0 0 446.322 5.263 40 30 IKEBRN Cc1c(/C=C2/S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c2ccccc2n1C ZINC000408815120 557228437 /nfs/dbraw/zinc/22/84/37/557228437.db2.gz IJHRKCPPOUTLAB-UINIZAEWSA-N 0 0 435.637 6.424 40 30 IKEBRN COc1ccc(/N=C\c2ccc(OCC(=O)Nc3cccc(Cl)c3)cc2)cc1Cl ZINC000408816218 557231037 /nfs/dbraw/zinc/23/10/37/557231037.db2.gz SXYMOELZKGUUJP-MXAYSNPKSA-N 0 0 429.303 5.770 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408817378 557231238 /nfs/dbraw/zinc/23/12/38/557231238.db2.gz NFQLBRJQAVMSFN-UQQQWYQISA-N 0 0 441.552 6.543 40 30 IKEBRN Cc1sc(/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)c(C#N)c1C ZINC000408817293 557231311 /nfs/dbraw/zinc/23/13/11/557231311.db2.gz LDWVHJSJVPSNBC-CCVNUDIWSA-N 0 0 430.960 7.373 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408817458 557231679 /nfs/dbraw/zinc/23/16/79/557231679.db2.gz VYXDKCBELKDAEV-ANQPRWKQSA-N 0 0 433.597 6.305 40 30 IKEBRN C=CCc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc(OCC)c1O ZINC000408819249 557232545 /nfs/dbraw/zinc/23/25/45/557232545.db2.gz YRXXVUTZWWXSBW-UHFFFAOYSA-N 0 0 429.949 5.244 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(Nc2cc(Cl)ccc2OC)NC1=O ZINC000408820567 557234466 /nfs/dbraw/zinc/23/44/66/557234466.db2.gz YQYBHKLCYBCATR-UHFFFAOYSA-N 0 0 449.939 5.277 40 30 IKEBRN C=C1S/C(=N\c2ccc(Cl)cc2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 ZINC000100010439 557237267 /nfs/dbraw/zinc/23/72/67/557237267.db2.gz FGISEVKWJRNNCV-XLNRJJMWSA-N 0 0 440.787 6.289 40 30 IKEBRN C#CCOc1c(/C=N/N(c2ccccc2)c2ccccc2)cc(Br)cc1OC ZINC000408823255 557237326 /nfs/dbraw/zinc/23/73/26/557237326.db2.gz NKRMCRCHNQRGOK-KOEQRZSOSA-N 0 0 435.321 5.642 40 30 IKEBRN CCOC(=O)c1sc(N=NCc2ccc(OCc3ccccc3Cl)cc2)nc1C ZINC000011992184 557237984 /nfs/dbraw/zinc/23/79/84/557237984.db2.gz JTLROQCLJSSRRB-FSJBWODESA-N 0 0 429.929 5.307 40 30 IKEBRN COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccc(C)c(Cl)c2)cc1OC ZINC000012569729 557248773 /nfs/dbraw/zinc/24/87/73/557248773.db2.gz QXYVRVITPQAROF-JFLMPSFJSA-N 0 0 446.938 5.964 40 30 IKEBRN CC(Nc1ccc(C)cc1)=C1C(=O)C(=O)N(c2ccc(O)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000100249808 557255976 /nfs/dbraw/zinc/25/59/76/557255976.db2.gz NTRUXCXPSZLYHC-PLJYQOKSSA-N 0 0 432.907 5.397 40 30 IKEBRN CCCCCCCC[C@H]1S[C@@H]1CCCCCCCC(=O)OCCOCCOCC ZINC000100300085 557257128 /nfs/dbraw/zinc/25/71/28/557257128.db2.gz MMBZAEHFMQEQSE-DHIUTWEWSA-N 0 0 430.695 6.548 40 30 IKEBRN CCCCCCCCCCC([C@@H]1CCC[C@H]2CCCC[C@@H]21)[C@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000100301675 557257140 /nfs/dbraw/zinc/25/71/40/557257140.db2.gz BMIYKWRBLFKRLB-NAASCENESA-N 0 0 428.789 10.346 40 30 IKEBRN CCCCCCCCCCCCCOP(O)OCCCCCCCCCCCCC ZINC000100310787 557257478 /nfs/dbraw/zinc/25/74/78/557257478.db2.gz VTIXMGZYGRZMAW-UHFFFAOYSA-N 0 0 446.697 9.861 40 30 IKEBRN O=C1/C(=N\c2cccc(Cl)c2)C[C@H](c2ccc(Cl)cc2)N1c1cccc(Cl)c1 ZINC000100349605 557258369 /nfs/dbraw/zinc/25/83/69/557258369.db2.gz JQHPQOGMXVPYEK-MLQDUXEUSA-N 0 0 429.734 6.898 40 30 IKEBRN COc1ccc(/N=C(/N=c2\sn(C)c(=S)n2-c2ccccc2)c2ccccc2)cc1 ZINC000100370094 557259228 /nfs/dbraw/zinc/25/92/28/557259228.db2.gz DAJRSGZKJUWDJX-ZINFLPCDSA-N 0 0 432.574 5.295 40 30 IKEBRN Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)s1 ZINC000100388206 557259416 /nfs/dbraw/zinc/25/94/16/557259416.db2.gz PGYRRRXXHPHWPZ-WNIMSWJZSA-N 0 0 443.597 6.385 40 30 IKEBRN O=C(CC1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000100404186 557260074 /nfs/dbraw/zinc/26/00/74/557260074.db2.gz ZSWLOYHPSHLOFC-UAPGPWSHSA-N 0 0 435.936 5.505 40 30 IKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C(C)C)c(OC)cc1C ZINC000408839867 557260597 /nfs/dbraw/zinc/26/05/97/557260597.db2.gz AZKQYGYQJXESTE-QHCPKHFHSA-N 0 0 431.532 5.259 40 30 IKEBRN COc1cccc2c(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(-c3ccccc3)[nH]c21 ZINC000408841736 557262714 /nfs/dbraw/zinc/26/27/14/557262714.db2.gz KJYTVQZATFBEIM-QRVIBDJDSA-N 0 0 431.408 5.106 40 30 IKEBRN CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCC ZINC000100503785 557262798 /nfs/dbraw/zinc/26/27/98/557262798.db2.gz FOROCIRSIXDJQG-UHFFFAOYSA-N 0 0 438.781 10.322 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 ZINC000408844918 557265824 /nfs/dbraw/zinc/26/58/24/557265824.db2.gz JCUALCWFQCFLGI-HIHZLFFLSA-N 0 0 445.415 7.176 40 30 IKEBRN O=[N+]([O-])c1cccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000408849562 557273548 /nfs/dbraw/zinc/27/35/48/557273548.db2.gz WSMPZBDPPXRVMP-JMIUGGIZSA-N 0 0 437.702 6.506 40 30 IKEBRN CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/N=C1\NC(=O)/C(=C\c3ccc(Br)cc3)S1)C2 ZINC000008431764 557275825 /nfs/dbraw/zinc/27/58/25/557275825.db2.gz OSOWLGLZNFHGQW-USXBGQAZSA-N 0 0 432.387 5.211 40 30 IKEBRN COc1ccc(Br)c(/C=N/c2ccc(-c3nc4ccc(C)cc4o3)cc2)c1O ZINC000100933744 557278822 /nfs/dbraw/zinc/27/88/22/557278822.db2.gz BJONPJXGOYZKPA-WYMPLXKRSA-N 0 0 437.293 6.031 40 30 IKEBRN CCCCCCCCC(=N\O)/C(=N\NS(=O)(=O)c1ccc(C)cc1)c1ccccc1 ZINC000100934600 557279199 /nfs/dbraw/zinc/27/91/99/557279199.db2.gz BPPZUCFHZWACGP-SZXZEDJCSA-N 0 0 429.586 5.258 40 30 IKEBRN CCCCCCCSCCSc1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000100977432 557280514 /nfs/dbraw/zinc/28/05/14/557280514.db2.gz OZTYFFMPFXYYCE-UHFFFAOYSA-N 0 0 426.482 6.318 40 30 IKEBRN CCCCCCCCNC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000100985150 557280855 /nfs/dbraw/zinc/28/08/55/557280855.db2.gz SJQJRXGKKWSCNQ-UHFFFAOYSA-N 0 0 445.672 7.188 40 30 IKEBRN CCCCCCCSc1nnc2c(n1)OC(=C(O)c1ccccc1)Nc1ccccc1-2 ZINC000101007401 557281090 /nfs/dbraw/zinc/28/10/90/557281090.db2.gz MSOZYYWGVCBILY-HSZRJFAPSA-N 0 0 434.565 5.614 40 30 IKEBRN COc1cc(Br)cc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)c1O ZINC000101018527 557281368 /nfs/dbraw/zinc/28/13/68/557281368.db2.gz GXBZHJOMAWVYEQ-UFFVCSGVSA-N 0 0 432.343 5.405 40 30 IKEBRN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000101029331 557281575 /nfs/dbraw/zinc/28/15/75/557281575.db2.gz RJKXINZOVBYZOZ-ISSOZRQYSA-N 0 0 429.501 5.442 40 30 IKEBRN CCOc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 ZINC000101764797 557295511 /nfs/dbraw/zinc/29/55/11/557295511.db2.gz RXJSTNSLRSRQDM-ATRNVFDJSA-N 0 0 440.543 6.631 40 30 IKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4o3)sc2C1 ZINC000014067311 557296367 /nfs/dbraw/zinc/29/63/67/557296367.db2.gz HMRQUVOVIRORPI-CQSZACIVSA-N 0 0 439.606 6.033 40 30 IKEBRN COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OCc1ccccc1C#N ZINC000113834677 557307631 /nfs/dbraw/zinc/30/76/31/557307631.db2.gz DCXSLFAPEXMGGS-OEAKJJBVSA-N 0 0 441.512 5.037 40 30 IKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1C ZINC000113854116 557308130 /nfs/dbraw/zinc/30/81/30/557308130.db2.gz BOICVNFMAIOCBA-AWQFTUOYSA-N 0 0 431.555 6.323 40 30 IKEBRN CCOc1cc(/C=C/C(=O)c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000113853254 557308149 /nfs/dbraw/zinc/30/81/49/557308149.db2.gz MEJLOUZDNPVDPX-BUHFOSPRSA-N 0 0 437.333 6.323 40 30 IKEBRN CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C1=C(O)C2=C(CC1)Nc1ccccc1S2 ZINC000102958849 557310995 /nfs/dbraw/zinc/31/09/95/557310995.db2.gz HCOPFRMPZDCQJQ-SFHVURJKSA-N 0 0 448.588 5.850 40 30 IKEBRN CCCCCCCCCCCCCCCCNC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000100112403 557314243 /nfs/dbraw/zinc/31/42/43/557314243.db2.gz MIOOSJHVLGHSBL-UHFFFAOYSA-N 0 0 432.048 7.587 40 30 IKEBRN O=C1CCCC/C1=C1/SC(=N\c2ccccc2)/C(=N/c2ccccc2)N1c1ccccc1 ZINC000103711105 557317930 /nfs/dbraw/zinc/31/79/30/557317930.db2.gz UQFVZTVHLXGIEC-QXURAYKCSA-N 0 0 437.568 7.055 40 30 IKEBRN O=C1C=C(Cl)[C@@H]2CC(Nc3ccccc3)=C3C(=O)C=C(Cl)c4cc(Cl)c1c2c43 ZINC000103693171 557318008 /nfs/dbraw/zinc/31/80/08/557318008.db2.gz DKTMGOWAHFWZTD-YTEVENLXSA-N 0 0 428.702 5.998 40 30 IKEBRN CCCCCCCCCN=Nc1nnc(N=NCCCCCCCCC)c2ccccc21 ZINC000104079196 557320053 /nfs/dbraw/zinc/32/00/53/557320053.db2.gz RNLYBJDCOBJTGK-GPAWKIAZSA-N 0 0 438.664 7.926 40 30 IKEBRN CCCCCCCCCCCCC/C=C/[C@@H]1[C@H](C(=O)OC)N1[S@@](=O)c1ccc(C)cc1 ZINC000104316203 557324973 /nfs/dbraw/zinc/32/49/73/557324973.db2.gz AZKUUQNZEQUQCQ-YVGVOVMBSA-N 0 0 447.685 6.501 40 30 IKEBRN CCCCCCCCCC[C@H](C(=O)OCCCC)P(=O)(OCCCC)OCCCC ZINC000104332866 557325157 /nfs/dbraw/zinc/32/51/57/557325157.db2.gz LDUMVHJBGPZORD-HSZRJFAPSA-N 0 0 448.625 8.056 40 30 IKEBRN CCCCCCCCCCCCCCCCCCOC(=O)Nc1cc(Cl)ccc1C ZINC000104340748 557325441 /nfs/dbraw/zinc/32/54/41/557325441.db2.gz DRTGLLYHGRZQJR-UHFFFAOYSA-N 0 0 438.096 9.458 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(C(C)C)cc1 ZINC000104350104 557325450 /nfs/dbraw/zinc/32/54/50/557325450.db2.gz XWPOFMKMULALMG-FAJYDZGRSA-N 0 0 445.761 8.089 40 30 IKEBRN CN(C)c1ccc(/C=C2/c3ccccc3-c3ccc(/N=C\c4ccc([N+](=O)[O-])cc4)cc32)cc1 ZINC000104335615 557325494 /nfs/dbraw/zinc/32/54/94/557325494.db2.gz SRKKDHXJUSSFLO-NSVULUGNSA-N 0 0 445.522 6.981 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(OC)c(O)c1 ZINC000104360310 557325714 /nfs/dbraw/zinc/32/57/14/557325714.db2.gz NLBXMXYPTOTMPA-SZXQPVLSSA-N 0 0 449.705 6.680 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/C=C\c1ccccc1 ZINC000104376696 557326000 /nfs/dbraw/zinc/32/60/00/557326000.db2.gz HYPWGBILDBPVEG-XXUCCNOKSA-N 0 0 429.718 7.631 40 30 IKEBRN CCCCCCCCCCC/C=N\NC(=S)N/N=C\CCCCCCCCCCC ZINC000104376609 557326016 /nfs/dbraw/zinc/32/60/16/557326016.db2.gz XVFOADJKVANFGQ-QXKKBDLUSA-N 0 0 438.770 8.264 40 30 IKEBRN CCCCCCCCCCC/C=N/NC(=S)N/N=C/CCCCCCCCCCC ZINC000104376617 557326104 /nfs/dbraw/zinc/32/61/04/557326104.db2.gz XVFOADJKVANFGQ-LSBUKLHESA-N 0 0 438.770 8.264 40 30 IKEBRN Clc1ccccc1/C=N\c1ccc2c(c1)Cc1cccc(/N=C\c3ccccc3Cl)c1-2 ZINC000104391467 557326321 /nfs/dbraw/zinc/32/63/21/557326321.db2.gz IFDIJGNHMUAIRO-SXPCWOMBSA-N 0 0 441.361 8.066 40 30 IKEBRN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000014271472 557332388 /nfs/dbraw/zinc/33/23/88/557332388.db2.gz HERMQYHZCPTETL-INIZCTEOSA-N 0 0 445.613 5.390 40 30 IKEBRN C=CCn1c(COc2ccc(Br)cc2)nnc1SCc1cccc(C)c1 ZINC000014395429 557336861 /nfs/dbraw/zinc/33/68/61/557336861.db2.gz BISKMFFHFBKTOW-UHFFFAOYSA-N 0 0 430.371 5.406 40 30 IKEBRN Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=NNc1ccnc2cc(Cl)ccc21 ZINC000025388237 557376341 /nfs/dbraw/zinc/37/63/41/557376341.db2.gz LGLHJTZKWYZCRJ-OPEKNORGSA-N 0 0 430.726 6.135 40 30 IKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000013842002 557394875 /nfs/dbraw/zinc/39/48/75/557394875.db2.gz JXDUJVUNWVOHKA-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000013842950 557395330 /nfs/dbraw/zinc/39/53/30/557395330.db2.gz OMVPGJPLOTWVBO-UHFFFAOYSA-N 0 0 436.581 5.206 40 30 IKEBRN CCCCCCCCCCCCCCCCCCNC(=O)Oc1cc(C)ccc1C(C)C ZINC000100309166 557398972 /nfs/dbraw/zinc/39/89/72/557398972.db2.gz CTLGDQAWJVCBOT-UHFFFAOYSA-N 0 0 445.732 9.468 40 30 IKEBRN CCCCCCCCCC(=O)OCCCCCCCOC(=O)CCCCCCCCC ZINC000100300487 557398978 /nfs/dbraw/zinc/39/89/78/557398978.db2.gz QMFBUVOXEZHEFR-UHFFFAOYSA-N 0 0 440.709 8.305 40 30 IKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@]3(C)CC[C@H]21 ZINC000034107143 557399324 /nfs/dbraw/zinc/39/93/24/557399324.db2.gz SZBWKZHLROZHJQ-NSRXSEDKSA-N 0 0 432.560 5.831 40 30 IKEBRN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2c1csc(-c2ccccc2)n1 ZINC000118915684 557405678 /nfs/dbraw/zinc/40/56/78/557405678.db2.gz DIDVQQHUMYJCEX-QNGJAGAISA-N 0 0 447.644 6.396 40 30 in-vitro IKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000118916260 557405698 /nfs/dbraw/zinc/40/56/98/557405698.db2.gz UILXPFRZQGQVFT-WHANSCQRSA-N 0 0 442.546 6.174 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000118917158 557406061 /nfs/dbraw/zinc/40/60/61/557406061.db2.gz CMCWTYNIVZMUIH-OUJPLRSTSA-N 0 0 430.554 7.701 40 30 IKEBRN CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(C)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C/C(=N\O)[C@]12C ZINC000118922813 557406218 /nfs/dbraw/zinc/40/62/18/557406218.db2.gz LVLQUIZWMULUMY-GMNDDZJSSA-N 0 0 447.616 5.359 40 30 IKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)/C(=N/O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000118931834 557407185 /nfs/dbraw/zinc/40/71/85/557407185.db2.gz PATCHQOVVGUAJQ-AKGWWEQBSA-N 0 0 441.700 7.673 40 30 IKEBRN CCNC(=O)O/N=C1/CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)NCC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930658 557407198 /nfs/dbraw/zinc/40/71/98/557407198.db2.gz SNAZURKPPNBWIB-OEAHAQHESA-N 0 0 445.604 5.166 40 30 IKEBRN CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@H](F)C[C@]12C ZINC000118933264 557407366 /nfs/dbraw/zinc/40/73/66/557407366.db2.gz JEEUJGVJTLVJQM-MUVPWNSGSA-N 0 0 439.365 5.082 40 30 IKEBRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000014091497 557419177 /nfs/dbraw/zinc/41/91/77/557419177.db2.gz ICAKRDAVSLTMQQ-UHFFFAOYSA-N 0 0 433.364 5.093 40 30 IKEBRN Cc1c(C=NNc2nc3ccccc3[nH]2)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000014134279 557422439 /nfs/dbraw/zinc/42/24/39/557422439.db2.gz KLTWPDOFYMBBDS-UVHMKAGCSA-N 0 0 448.357 6.627 40 30 IKEBRN CCn1c(C)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 ZINC000014134486 557422764 /nfs/dbraw/zinc/42/27/64/557422764.db2.gz PQUIWBZOAHSVNP-ZCTHSVRISA-N 0 0 429.523 7.519 40 30 IKEBRN COc1ccc([C@H]2C3=C(C[C@@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 ZINC000014163668 557424663 /nfs/dbraw/zinc/42/46/63/557424663.db2.gz PMCSJVLUTVSTSD-BZQUYTCOSA-N 0 0 429.520 5.144 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cccc(OCc4ccccc4)c3)sc2C1 ZINC000014273287 557432823 /nfs/dbraw/zinc/43/28/23/557432823.db2.gz WNLNJDZWUSKGFJ-FQEVSTJZSA-N 0 0 444.600 6.602 40 30 IKEBRN C=CCn1c(COc2ccc(Br)cc2)nnc1SCc1ccc(F)cc1 ZINC000014395435 557435010 /nfs/dbraw/zinc/43/50/10/557435010.db2.gz MGWIJIHMDOPRSD-UHFFFAOYSA-N 0 0 434.334 5.237 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cccc(OCc3ccc(Cl)cc3)c2)c([N+](=O)[O-])c1 ZINC000014408853 557444017 /nfs/dbraw/zinc/44/40/17/557444017.db2.gz VMJGATWGCNLLKW-WSDLNYQXSA-N 0 0 426.816 5.181 40 30 IKEBRN O=C1CCCC2=C1[C@@H](c1ccc(I)cc1)Sc1ccccc1N2 ZINC000014671923 557449298 /nfs/dbraw/zinc/44/92/98/557449298.db2.gz WFVHRLNFESBVIK-LJQANCHMSA-N 0 0 433.314 5.557 40 30 IKEBRN CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@H]3C[C@@H](C)CC[C@@H]3C(C)C)cc2)cc1 ZINC000097961222 557453372 /nfs/dbraw/zinc/45/33/72/557453372.db2.gz DUORJTVBVQJQNS-NSQMQTOTSA-N 0 0 448.691 8.874 40 30 IKEBRN O=C(C1=C(O)C(=O)N(CCc2c[nH]c3ccccc23)[C@@H]1c1ccco1)c1ccc(Cl)cc1 ZINC000015919817 557466627 /nfs/dbraw/zinc/46/66/27/557466627.db2.gz JAPKKBXTMDABJR-JOCHJYFZSA-N 0 0 446.890 5.235 40 30 IKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H]2c1ccccc1 ZINC000015973377 557468452 /nfs/dbraw/zinc/46/84/52/557468452.db2.gz SVTAXIKJBLEKHE-YKSBVNFPSA-N 0 0 433.511 5.124 40 30 IKEBRN Oc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000016384590 557472874 /nfs/dbraw/zinc/47/28/74/557472874.db2.gz VDLYBHHNMHNKHX-WYMPLXKRSA-N 0 0 427.264 5.914 40 30 IKEBRN CC(C)c1ccc(/N=C2/c3ccccc3N(CN3CCN(c4ccccc4)CC3)C2=O)cc1 ZINC000016575787 557474364 /nfs/dbraw/zinc/47/43/64/557474364.db2.gz ZUWWSQXPWCTTIU-OHYPFYFLSA-N 0 0 438.575 5.057 40 30 IKEBRN CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Br)cc(OCC)c2O)c1 ZINC000016637026 557474932 /nfs/dbraw/zinc/47/49/32/557474932.db2.gz JYAAPKXVHYKVKZ-SSDVNMTOSA-N 0 0 439.737 5.696 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)S/C1=N/c1ccccc1 ZINC000223472930 557475988 /nfs/dbraw/zinc/47/59/88/557475988.db2.gz POPFFTGKMYRTFP-GGPVNALXSA-N 0 0 445.632 6.722 40 30 IKEBRN COc1ccc(Br)cc1/C=N/c1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000017086107 557476436 /nfs/dbraw/zinc/47/64/36/557476436.db2.gz ZHQIIGVQHJDOCH-PCLIKHOPSA-N 0 0 432.321 6.061 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)S2)c(C)c1 ZINC000223484850 557477894 /nfs/dbraw/zinc/47/78/94/557477894.db2.gz OVRILADWSXBJTO-OYKKKHCWSA-N 0 0 445.632 6.605 40 30 IKEBRN CCN1C(=O)/C(=C/c2cc3c(cc2C)N(CC)C(C)(C)C=C3C)S/C1=N\c1ccccc1 ZINC000223498986 557479501 /nfs/dbraw/zinc/47/95/01/557479501.db2.gz MZGRQHQDTHPBJA-KKOPTWAASA-N 0 0 445.632 6.641 40 30 IKEBRN Cc1cc2c(cc1C=[NH+][N-]c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)=CC(C)(C)N2C(C)C ZINC000223500984 557479679 /nfs/dbraw/zinc/47/96/79/557479679.db2.gz BQGMLCBEZSUTCO-ZMOGYAJESA-N 0 0 437.500 5.668 40 30 IKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1CCCC(=O)C1[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000017099228 557482236 /nfs/dbraw/zinc/48/22/36/557482236.db2.gz CPVPTGYDVVTIBS-QFIPXVFZSA-N 0 0 434.883 5.442 40 30 IKEBRN CCN1c2ccc(/C=C3\S/C(=N\c4cccc(C)c4C)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223534036 557482790 /nfs/dbraw/zinc/48/27/90/557482790.db2.gz PMNNCSBZIXSJMW-PGECNJAHSA-N 0 0 433.621 6.307 40 30 IKEBRN CCN1c2ccc(/C=C3\S/C(=N\c4ccc(Cl)cc4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223533612 557482844 /nfs/dbraw/zinc/48/28/44/557482844.db2.gz GVISHEKGRIFZJE-MNAFEPAFSA-N 0 0 440.012 6.344 40 30 IKEBRN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccc(C)cc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000017099612 557483250 /nfs/dbraw/zinc/48/32/50/557483250.db2.gz ITRPBVPFKBZSGH-NFQMXDRXSA-N 0 0 435.527 5.769 40 30 IKEBRN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000017099615 557483261 /nfs/dbraw/zinc/48/32/61/557483261.db2.gz ITRPBVPFKBZSGH-DCFHFQCYSA-N 0 0 435.527 5.769 40 30 IKEBRN CCOc1ccc([C@@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000017099620 557483288 /nfs/dbraw/zinc/48/32/88/557483288.db2.gz ZMJPANBRTQPAAO-NFQMXDRXSA-N 0 0 435.527 5.851 40 30 IKEBRN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccc(Cl)cc3)C12 ZINC000017094643 557484786 /nfs/dbraw/zinc/48/47/86/557484786.db2.gz BFTNCODIEGWAOI-BVZFJXPGSA-N 0 0 425.919 6.105 40 30 IKEBRN O=C1C[C@@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@H](c3ccc(Cl)cc3)C12 ZINC000017094642 557484816 /nfs/dbraw/zinc/48/48/16/557484816.db2.gz BFTNCODIEGWAOI-AVRWGWEMSA-N 0 0 425.919 6.105 40 30 IKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)S2)cc1 ZINC000223554870 557485461 /nfs/dbraw/zinc/48/54/61/557485461.db2.gz MGQKPPDTZBEDTL-BEXDPUPVSA-N 0 0 447.648 6.641 40 30 IKEBRN CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223579598 557488371 /nfs/dbraw/zinc/48/83/71/557488371.db2.gz ZJYQRNONJMCWFI-QCYAWUEASA-N 0 0 447.648 6.616 40 30 IKEBRN O=C1C[C@@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000017100483 557489059 /nfs/dbraw/zinc/48/90/59/557489059.db2.gz SSJIPWRKLLMHBW-MQNRADLISA-N 0 0 436.540 5.995 40 30 IKEBRN Cc1ccc([C@H]2N=C(Nc3nc4ccccc4s3)Nc3c4ccccc4[nH]c(=O)c32)cc1 ZINC000017101514 557490302 /nfs/dbraw/zinc/49/03/02/557490302.db2.gz QMLCRTSUGQQWFP-OAQYLSRUSA-N 0 0 437.528 5.238 40 30 IKEBRN Cc1ccc([C@@H]2N=C(Nc3nc4ccccc4s3)Nc3c4ccccc4[nH]c(=O)c32)cc1 ZINC000017101512 557490373 /nfs/dbraw/zinc/49/03/73/557490373.db2.gz QMLCRTSUGQQWFP-NRFANRHFSA-N 0 0 437.528 5.238 40 30 IKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)NC1=O)[C@H](C)CC(C)(C)N2C(C)C ZINC000223601711 557490675 /nfs/dbraw/zinc/49/06/75/557490675.db2.gz MGGGUVBOIURRKD-NLKUQUHMSA-N 0 0 433.621 6.387 40 30 IKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@@H](C)CC(=O)C1[C@@H]2c1ccc(Cl)cc1Cl ZINC000017101974 557490736 /nfs/dbraw/zinc/49/07/36/557490736.db2.gz AMIUUJYTQBRGGW-ZLOXQWCVSA-N 0 0 438.358 6.433 40 30 IKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)S2)c1 ZINC000223601900 557490812 /nfs/dbraw/zinc/49/08/12/557490812.db2.gz RYZKLHMDZDUQLR-QCYAWUEASA-N 0 0 447.648 6.696 40 30 IKEBRN CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118918439 557493327 /nfs/dbraw/zinc/49/33/27/557493327.db2.gz XDVHIXRJLWUKRR-ORZTVLAMSA-N 0 0 440.624 6.136 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000118919130 557493410 /nfs/dbraw/zinc/49/34/10/557493410.db2.gz UOCUEIOMIAYZNI-KHSKDSKMSA-N 0 0 428.613 5.468 40 30 IKEBRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118934393 557494006 /nfs/dbraw/zinc/49/40/06/557494006.db2.gz GCRIWPLHBVKSPY-OZCFNFNUSA-N 0 0 444.612 5.265 40 30 IKEBRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118934391 557494110 /nfs/dbraw/zinc/49/41/10/557494110.db2.gz GCRIWPLHBVKSPY-YILDYCAESA-N 0 0 444.612 5.265 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000118925730 557494635 /nfs/dbraw/zinc/49/46/35/557494635.db2.gz FYAPPFWDCSJLLT-POVYJALDSA-N 0 0 445.430 6.880 40 30 IKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000018085164 557496215 /nfs/dbraw/zinc/49/62/15/557496215.db2.gz HQVCHZQXDGNTRX-QHCPKHFHSA-N 0 0 445.519 5.146 40 30 IKEBRN O=C1C[C@H](c2ccc(F)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000019647230 557505430 /nfs/dbraw/zinc/50/54/30/557505430.db2.gz XICDTYAETWKQBQ-CRYYWNKWSA-N 0 0 448.501 6.072 40 30 IKEBRN O=C1C(=NNc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc2N1C1CSC1 ZINC000223743634 557508188 /nfs/dbraw/zinc/50/81/88/557508188.db2.gz JXGUGZNIFIBFEV-XYGWBWBKSA-N 0 0 446.281 5.290 40 30 IKEBRN O=C1C(=NNc2cccc(Cl)c2Cl)c2cc(C(F)(F)F)ccc2N1C1CSC1 ZINC000223745045 557508394 /nfs/dbraw/zinc/50/83/94/557508394.db2.gz KOHAMENSXRWMBW-XYGWBWBKSA-N 0 0 446.281 5.290 40 30 IKEBRN COc1ccccc1Oc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)cc1 ZINC000198080752 557529347 /nfs/dbraw/zinc/52/93/47/557529347.db2.gz VBNMTJILIXNXQZ-MJDZGMBVSA-N 0 0 428.576 7.269 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000198151444 557529584 /nfs/dbraw/zinc/52/95/84/557529584.db2.gz AJPIAZDLNSCCJO-STBIYBPSSA-N 0 0 446.978 7.523 40 30 IKEBRN Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000198151369 557529589 /nfs/dbraw/zinc/52/95/89/557529589.db2.gz ZEJHFSDYRLWRNS-STBIYBPSSA-N 0 0 430.979 7.823 40 30 IKEBRN CCN1c2ccc(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2C(C)=CC1(C)C ZINC000198160714 557529609 /nfs/dbraw/zinc/52/96/09/557529609.db2.gz OEKKZTGDKVQHHC-VUTHCHCSSA-N 0 0 426.560 7.260 40 30 IKEBRN C=C(C)[C@@H]1CC[C@]2(C)[C@@H]1[C@@H]1CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)C[C@@H]2O ZINC000118930124 557543789 /nfs/dbraw/zinc/54/37/89/557543789.db2.gz AJBZENLMTKDAEK-DFQXBVIOSA-N 0 0 442.728 6.996 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000118916321 557544735 /nfs/dbraw/zinc/54/47/35/557544735.db2.gz PXDOMWMSMCFAEF-LTPDGCMNSA-N 0 0 444.562 6.254 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Br)cc1)C2=O ZINC000118916329 557544803 /nfs/dbraw/zinc/54/48/03/557544803.db2.gz CTGFFXZZHKKDLF-OUJPLRSTSA-N 0 0 441.453 7.444 40 30 IKEBRN Cc1ccccc1/N=C/c1ccc(OCc2nc3sc4c(c3c(Cl)n2)CCCC4)cc1 ZINC000028219412 557673155 /nfs/dbraw/zinc/67/31/55/557673155.db2.gz NTCRPPVGRIIBNT-MZJWZYIUSA-N 0 0 447.991 6.862 40 30 IKEBRN C=CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 ZINC000029739386 557765577 /nfs/dbraw/zinc/76/55/77/557765577.db2.gz MZLWSDVEHGNBHU-UHFFFAOYSA-N 0 0 431.315 5.094 40 30 IKEBRN N#CC1(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4Cl)C3)cc2)CC1 ZINC000225907506 557790558 /nfs/dbraw/zinc/79/05/58/557790558.db2.gz JCWYTDPPMGLNBY-QGZVFWFLSA-N 0 0 428.363 5.399 40 30 IKEBRN N#CC1(c2ccc(NC(=O)[C@H]3CCCN(Cc4c(Cl)cccc4Cl)C3)cc2)CC1 ZINC000225910588 557790976 /nfs/dbraw/zinc/79/09/76/557790976.db2.gz RAWXEADGABMIPZ-INIZCTEOSA-N 0 0 428.363 5.399 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1F ZINC000033741383 557809378 /nfs/dbraw/zinc/80/93/78/557809378.db2.gz JELRUXJUKKFLOP-UHFFFAOYSA-N 0 0 437.327 5.308 40 30 IKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C\c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000033733348 557809452 /nfs/dbraw/zinc/80/94/52/557809452.db2.gz WSBUHFHIXGMPCX-STZFKDTASA-N 0 0 431.473 5.065 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(CC)cc2)nnc1-c1cc2cccc(OC)c2o1 ZINC000033664167 557809691 /nfs/dbraw/zinc/80/96/91/557809691.db2.gz BWZSUFCRNZSDHK-UHFFFAOYSA-N 0 0 448.548 5.179 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccc(OC)cc2)cc1 ZINC000033762623 557810765 /nfs/dbraw/zinc/81/07/65/557810765.db2.gz LCERWMXKKCAQRK-CVKSISIWSA-N 0 0 434.948 6.898 40 30 IKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000034303199 557811206 /nfs/dbraw/zinc/81/12/06/557811206.db2.gz JVBJMRIVVNLPKI-ODBVBZLZSA-N 0 0 433.677 6.024 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)SC1=S ZINC000058822052 557812821 /nfs/dbraw/zinc/81/28/21/557812821.db2.gz LCHFEKUXJXRYBW-LDADJPATSA-N 0 0 446.391 5.415 40 30 IKEBRN CC[C@@H](C)c1ccc(/N=C/c2cc(Br)c(I)o2)cc1 ZINC000059104093 557814070 /nfs/dbraw/zinc/81/40/70/557814070.db2.gz JTYCHHFPCVIOTK-SVXRXWARSA-N 0 0 432.099 5.911 40 30 IKEBRN CC[C@H](C)c1ccc(/N=C/c2cc(Br)c(I)o2)cc1 ZINC000059104094 557814098 /nfs/dbraw/zinc/81/40/98/557814098.db2.gz JTYCHHFPCVIOTK-NTOSSWPYSA-N 0 0 432.099 5.911 40 30 IKEBRN CC/N=C1\S/C(=C\c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1CC ZINC000059104417 557814123 /nfs/dbraw/zinc/81/41/23/557814123.db2.gz LKAFLXKTZVHHHU-BTRCZGFISA-N 0 0 448.548 5.218 40 30 IKEBRN Cc1c(Br)c(/C=N/c2ccc(C)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000059104219 557814124 /nfs/dbraw/zinc/81/41/24/557814124.db2.gz MIOWGRKNTZQLJO-FSJBWODESA-N 0 0 446.186 6.678 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000059105704 557814575 /nfs/dbraw/zinc/81/45/75/557814575.db2.gz YSNMKKWOURIHEJ-NDENLUEZSA-N 0 0 436.468 5.033 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC000058884132 557814757 /nfs/dbraw/zinc/81/47/57/557814757.db2.gz NWUZMMIKVPHCJT-MSIOFZDNSA-N 0 0 448.910 5.015 40 30 IKEBRN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000059105821 557814793 /nfs/dbraw/zinc/81/47/93/557814793.db2.gz GLHZAVJVAKPNBV-QRVIBDJDSA-N 0 0 445.494 5.859 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137122 557815873 /nfs/dbraw/zinc/81/58/73/557815873.db2.gz MGVLEFXSEMOPFK-MTJSOVHGSA-N 0 0 439.943 6.087 40 30 IKEBRN Cc1cc(Br)ccc1/N=C1\NC(=O)/C(=C/c2ccc(N3CCCCC3)o2)S1 ZINC000059138043 557816310 /nfs/dbraw/zinc/81/63/10/557816310.db2.gz IXCNNUQVVUJABY-ATVHPVEESA-N 0 0 446.370 5.232 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)SC1=S ZINC000059167674 557817135 /nfs/dbraw/zinc/81/71/35/557817135.db2.gz FUSBUHHALLARAV-WQRHYEAKSA-N 0 0 436.385 5.960 40 30 IKEBRN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccc(F)cc1 ZINC000059193573 557817968 /nfs/dbraw/zinc/81/79/68/557817968.db2.gz KMWIMCPHJDERHJ-UHFFFAOYSA-N 0 0 448.490 5.541 40 30 IKEBRN O=C1CCCC2=C1C(c1cccc(OCc3ccc(Cl)cc3)c1)C1=C(CCCC1=O)N2 ZINC000059193516 557817979 /nfs/dbraw/zinc/81/79/79/557817979.db2.gz FBBRPIBTLCDCMU-UHFFFAOYSA-N 0 0 433.935 5.620 40 30 IKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1cccc(C)c1 ZINC000059194469 557818278 /nfs/dbraw/zinc/81/82/78/557818278.db2.gz XJMAKCOIROEIAA-MFKUBSTISA-N 0 0 431.517 5.669 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1C ZINC000059223845 557818726 /nfs/dbraw/zinc/81/87/26/557818726.db2.gz GXZJOPPAXYVHSC-RGVLZGJSSA-N 0 0 443.355 6.762 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(Br)c(N4CCCC4)o3)cc2)cc1 ZINC000059248252 557818950 /nfs/dbraw/zinc/81/89/50/557818950.db2.gz BJKMJRVZKGWLPZ-BUVRLJJBSA-N 0 0 441.325 6.194 40 30 IKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3cccn3-c3ccc(Cl)cc3)cc2)cc1 ZINC000059249927 557819138 /nfs/dbraw/zinc/81/91/38/557819138.db2.gz DMCHITPIJDGIOS-PCLIKHOPSA-N 0 0 433.920 6.941 40 30 IKEBRN C=CCc1cc(/C=C2\S/C(=N/c3ccc(Cl)c(Cl)c3)NC2=O)cc(OCC)c1O ZINC000059248946 557819220 /nfs/dbraw/zinc/81/92/20/557819220.db2.gz JFWHWQXXUDOFJS-ZDLGFXPLSA-N 0 0 449.359 5.718 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000059459530 557821347 /nfs/dbraw/zinc/82/13/47/557821347.db2.gz PGBFSGQQHSERNN-FXZATJRASA-N 0 0 438.358 5.761 40 30 IKEBRN C(=N/C1=N[C@@H](c2ccco2)[C@@H](c2ccco2)S1)\c1ccc(OCc2ccccc2)cc1 ZINC000059461380 557821350 /nfs/dbraw/zinc/82/13/50/557821350.db2.gz FVGCLJVNGAORAS-PBGFEDEFSA-N 0 0 428.513 6.456 40 30 IKEBRN COc1ccccc1/N=C1/c2cc(Br)ccc2N(Cc2ccc(F)cc2)C1=O ZINC000059461557 557821567 /nfs/dbraw/zinc/82/15/67/557821567.db2.gz RNPXDAFVIPVFEY-DAFNUICNSA-N 0 0 439.284 5.264 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3[N+](=O)[O-])sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463701 557821575 /nfs/dbraw/zinc/82/15/75/557821575.db2.gz CFTMPYXPNQIDBT-ZVHZXABRSA-N 0 0 444.472 6.353 40 30 IKEBRN C(=N/C1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1)\c1ccccc1OCc1ccccc1 ZINC000059461382 557821595 /nfs/dbraw/zinc/82/15/95/557821595.db2.gz GQZQAMIOMRPPDC-NRYSQFAASA-N 0 0 428.513 6.456 40 30 IKEBRN O=[N+]([O-])c1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463672 557821598 /nfs/dbraw/zinc/82/15/98/557821598.db2.gz GOARBTJLMPIARI-OEAKJJBVSA-N 0 0 430.445 6.044 40 30 IKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463786 557821762 /nfs/dbraw/zinc/82/17/62/557821762.db2.gz YXKSSQOPQMVAOY-CVKSISIWSA-N 0 0 443.528 6.761 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3F)nc2-c2ccc(Cl)cc2)cc1 ZINC000059463717 557821774 /nfs/dbraw/zinc/82/17/74/557821774.db2.gz RMWSNFRXKJFAGG-DHRITJCHSA-N 0 0 437.883 6.928 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccc(C)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463741 557821805 /nfs/dbraw/zinc/82/18/05/557821805.db2.gz PDQBTTYOJLPGPL-MFKUBSTISA-N 0 0 429.501 6.453 40 30 IKEBRN Cc1cccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)S2)c1 ZINC000059302786 557822252 /nfs/dbraw/zinc/82/22/52/557822252.db2.gz CKJHGTKZVJHXPV-UYRXBGFRSA-N 0 0 438.350 5.440 40 30 IKEBRN Clc1ccc(Sc2oc(/C=N/c3cccc(Cl)c3)cc2Br)cc1 ZINC000059303379 557822254 /nfs/dbraw/zinc/82/22/54/557822254.db2.gz ZTMASIJQOIWKPX-UFFVCSGVSA-N 0 0 427.150 7.251 40 30 IKEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cccc(OCc2ccccc2F)c1 ZINC000059418049 557823168 /nfs/dbraw/zinc/82/31/68/557823168.db2.gz IHIJPKPYLKDIEW-FYJGNVAPSA-N 0 0 438.911 5.950 40 30 IKEBRN O=C(Oc1ccc(C=NNc2nc3ccccc3s2)cc1)c1ccc(Cl)cc1Cl ZINC000059422060 557823448 /nfs/dbraw/zinc/82/34/48/557823448.db2.gz UUZVVXUCOREXLX-WYMPLXKRSA-N 0 0 442.327 6.268 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000059427036 557823600 /nfs/dbraw/zinc/82/36/00/557823600.db2.gz ZAQMGYKLTPGWBW-OYKKKHCWSA-N 0 0 429.589 6.219 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2cccc(Cl)c2Cl)NC1=O ZINC000059433553 557823871 /nfs/dbraw/zinc/82/38/71/557823871.db2.gz ZCCLSQXVNASTBK-UNOMPAQXSA-N 0 0 443.355 6.437 40 30 IKEBRN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=N/c2c(-c3ccco3)nc3ccccn32)cc1 ZINC000059639167 557824286 /nfs/dbraw/zinc/82/42/86/557824286.db2.gz UQPFFKAGTYHTCU-JVWAILMASA-N 0 0 449.426 5.917 40 30 IKEBRN O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)NC[C@H]1CCCO1 ZINC000059474856 557824476 /nfs/dbraw/zinc/82/44/76/557824476.db2.gz SQCPJPTXVSHIRB-TVSCDJBNSA-N 0 0 445.997 5.088 40 30 IKEBRN C=CCOc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000059475141 557824658 /nfs/dbraw/zinc/82/46/58/557824658.db2.gz GROYNFKHNCHPAI-WPWMEQJKSA-N 0 0 445.975 7.141 40 30 IKEBRN COC(=O)c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000059475137 557824721 /nfs/dbraw/zinc/82/47/21/557824721.db2.gz ZYKZSOFIFKACBS-CVKSISIWSA-N 0 0 447.947 6.363 40 30 IKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000059475471 557824908 /nfs/dbraw/zinc/82/49/08/557824908.db2.gz OTFDAGVPTOBMBV-IOXBOXJCSA-N 0 0 429.719 6.094 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccc(Cl)cc3Cl)sc2-c2ccccc2)cc1 ZINC000059484284 557825312 /nfs/dbraw/zinc/82/53/12/557825312.db2.gz ROYXVGXRBGTIFJ-VULFUBBASA-N 0 0 438.383 7.538 40 30 IKEBRN O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000059484853 557825471 /nfs/dbraw/zinc/82/54/71/557825471.db2.gz IZVJAXDYUKJUCR-YWROOUKNSA-N 0 0 429.501 5.268 40 30 IKEBRN C=CCn1c(-c2ccccc2)nn(CN(Cc2ccccc2)Cc2ccccc2)c1=S ZINC000059484580 557825494 /nfs/dbraw/zinc/82/54/94/557825494.db2.gz DFRKMCWPCNANKX-UHFFFAOYSA-N 0 0 426.589 5.927 40 30 IKEBRN CC(=O)c1ccc(N=Cc2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 ZINC000059503598 557826922 /nfs/dbraw/zinc/82/69/22/557826922.db2.gz RMWLTBDDJIPHQC-VULFUBBASA-N 0 0 433.916 6.727 40 30 IKEBRN Cc1cc2c(cc1C)CN(c1cccc(C(=O)/C=C/c3ccc(Br)cc3)c1)C2 ZINC000059503640 557826937 /nfs/dbraw/zinc/82/69/37/557826937.db2.gz GJVXFLJVYNNETG-DHZHZOJOSA-N 0 0 432.361 6.482 40 30 IKEBRN Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(OCc4ccccc4)cc3)S2)c1 ZINC000059533540 557827478 /nfs/dbraw/zinc/82/74/78/557827478.db2.gz XEGZOABSFDUFLL-IWIPYMOSSA-N 0 0 428.557 5.643 40 30 IKEBRN Clc1ccc(Sc2oc(/C=N/c3cccc4ccccc43)cc2Br)cc1 ZINC000059678493 557828290 /nfs/dbraw/zinc/82/82/90/557828290.db2.gz ANCADPYPBQMUJV-ZMOGYAJESA-N 0 0 442.765 7.751 40 30 IKEBRN CCCCOC(=O)c1ccc(/N=C/c2cccn2-c2ccc(Br)cc2)cc1 ZINC000059678375 557828309 /nfs/dbraw/zinc/82/83/09/557828309.db2.gz OGKJGCGEFBUBPK-LFVJCYFKSA-N 0 0 425.326 5.947 40 30 IKEBRN Clc1cc(/N=C/c2cc(Br)c(N3CCCC3)o2)ccc1Br ZINC000059679328 557828560 /nfs/dbraw/zinc/82/85/60/557828560.db2.gz QEELJYMXZCMSBB-DJKKODMXSA-N 0 0 432.543 5.809 40 30 IKEBRN CCOC(=O)c1c(/N=C/c2cc(Br)cc(OC)c2O)sc2c1CCCC2 ZINC000096834357 557838466 /nfs/dbraw/zinc/83/84/66/557838466.db2.gz FPBONRSHIXGXQJ-UFFVCSGVSA-N 0 0 438.343 5.031 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(CC)cc3)NC2=O)c(Br)cc1O ZINC000096803931 557838536 /nfs/dbraw/zinc/83/85/36/557838536.db2.gz PIIJOFBVKLSILU-ZDLGFXPLSA-N 0 0 447.354 5.007 40 30 IKEBRN Cc1c(C#N)c(NC(=O)Cc2ccc(Cl)cc2)sc1C(=O)Nc1cccc(C)c1C ZINC000000871214 557840978 /nfs/dbraw/zinc/84/09/78/557840978.db2.gz DWSWOZQUYNVNNF-UHFFFAOYSA-N 0 0 437.952 5.632 40 30 IKEBRN Cc1cccc2cc(C#N)c(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc12 ZINC000000872637 557841023 /nfs/dbraw/zinc/84/10/23/557841023.db2.gz BZGGQNOIIGKHTM-UHFFFAOYSA-N 0 0 435.858 5.818 40 30 IKEBRN CCCCCCCCCCCCCCCCCC(=O)Nc1cc(=O)n(-c2ccccc2)[nH]1 ZINC000100989601 557848425 /nfs/dbraw/zinc/84/84/25/557848425.db2.gz JKXNJXLQJIKGMD-UHFFFAOYSA-N 0 0 441.660 7.115 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1cccc(OCc2cccc(F)c2)c1 ZINC000008783620 560210935 /nfs/dbraw/zinc/21/09/35/560210935.db2.gz MMXFXASJLSIIIG-HHHXNRCGSA-N 0 0 442.534 6.627 40 30 biogenic,in-vitro IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@H]2c1cccc(OCc2cccc(F)c2)c1 ZINC000008783619 560210986 /nfs/dbraw/zinc/21/09/86/560210986.db2.gz MMXFXASJLSIIIG-MHZLTWQESA-N 0 0 442.534 6.627 40 30 biogenic,in-vitro IKEBRN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1Cl ZINC000006474358 562946809 /nfs/dbraw/zinc/94/68/09/562946809.db2.gz RKEZKYWFSDFBBN-UHFFFAOYSA-N 0 0 447.390 7.886 40 30 IKEBRN CCOc1ccc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)c(C#N)cc2c1 ZINC000000907348 568635594 /nfs/dbraw/zinc/63/55/94/568635594.db2.gz LVNUZCJLYMHBNU-UHFFFAOYSA-N 0 0 439.540 5.962 40 30 IKEBRN Cc1cc2cc(C#N)c(SCC(=O)Nc3ccccc3Br)nc2cc1C ZINC000034791528 568738248 /nfs/dbraw/zinc/73/82/48/568738248.db2.gz PVVUDSCUOVYWRJ-UHFFFAOYSA-N 0 0 426.339 5.217 40 30 IKEBRN C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000043721509 568760033 /nfs/dbraw/zinc/76/00/33/568760033.db2.gz FVWJYYTZTCVBKE-HBQDOYKASA-N 0 0 442.728 6.997 40 30 in-man IKEBRN C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000043721503 568760081 /nfs/dbraw/zinc/76/00/81/568760081.db2.gz FVWJYYTZTCVBKE-PYKACDHASA-N 0 0 442.728 6.997 40 30 in-man IKEBRN COc1ccc(C(=O)N(/C(=N/c2ccc(C)cc2)c2ccccc2)c2ccc(C)cc2)cc1 ZINC000101548244 568791745 /nfs/dbraw/zinc/79/17/45/568791745.db2.gz FVSINBQYRYPHFY-SJCQXOIGSA-N 0 0 434.539 6.737 40 30 IKEBRN Cc1ccc(/N=C(\c2ccccc2Cl)N(C(=O)c2ccccc2)c2ccc(C)cc2)cc1 ZINC000101556885 568791936 /nfs/dbraw/zinc/79/19/36/568791936.db2.gz RMOCSCKITFQMLQ-KDJFERLWSA-N 0 0 438.958 7.382 40 30 IKEBRN CCCCCCCC1=NN2C(=NC(=O)/C(=C/c3cc(Br)ccc3O)C2=N)S1 ZINC000097958848 568794779 /nfs/dbraw/zinc/79/47/79/568794779.db2.gz DRUBGDOYKQFQPZ-ZNNJIDPUSA-N 0 0 449.374 5.134 40 30 IKEBRN Brc1ccc(C#Cc2cccc(C#Cc3ccc(Br)s3)n2)s1 ZINC000003851945 568803486 /nfs/dbraw/zinc/80/34/86/568803486.db2.gz NJGJDSPFJDAQLO-UHFFFAOYSA-N 0 0 449.192 5.529 40 30 IKEBRN C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O ZINC000009311705 568818243 /nfs/dbraw/zinc/81/82/43/568818243.db2.gz KCZZJOSFEXUPKS-JLPGSUDCSA-N 0 0 443.524 5.487 40 30 IKEBRN C=CCSc1nnc2c(n1)O[C@@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 ZINC000015015925 568828022 /nfs/dbraw/zinc/82/80/22/568828022.db2.gz MAJOFXDSVLEPEH-QFIPXVFZSA-N 0 0 432.549 5.641 40 30 IKEBRN C=CCn1c(-c2ccc(Cl)cc2)c(Br)s/c1=N\c1c(C)cc(C)cc1C ZINC000016711526 568829970 /nfs/dbraw/zinc/82/99/70/568829970.db2.gz PTKXFLGZJQHRBQ-FLFQWRMESA-N 0 0 447.829 6.976 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000016807902 568830266 /nfs/dbraw/zinc/83/02/66/568830266.db2.gz FUYRNDRHMPQAMS-UHFFFAOYSA-N 0 0 448.636 6.283 40 30 IKEBRN Clc1ccc(Cl)c2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c12 ZINC000002386330 568835175 /nfs/dbraw/zinc/83/51/75/568835175.db2.gz WIGAOZAIIOXKBX-UHFFFAOYSA-N 0 0 447.364 8.099 40 30 IKEBRN COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCc3ccccc3Cl)n2)cc1 ZINC000006157050 568846968 /nfs/dbraw/zinc/84/69/68/568846968.db2.gz OKTJOXMXWJUBQP-UHFFFAOYSA-N 0 0 442.971 7.242 40 30 IKEBRN CCCCCCCOc1ccc(C2=NOC(=O)/C2=C\c2ccc(Br)cc2)cc1 ZINC000101662579 568848658 /nfs/dbraw/zinc/84/86/58/568848658.db2.gz FDYPIUINGOIYCH-PGMHBOJBSA-N 0 0 442.353 6.143 40 30 IKEBRN COC(=O)N[C@@H](Sc1cccc2ncccc21)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000101673281 568849486 /nfs/dbraw/zinc/84/94/86/568849486.db2.gz JUDIXCYARVSOEV-LBPRGKRZSA-N 0 0 448.335 5.180 40 30 IKEBRN COc1ccc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)c(C#N)cc2c1 ZINC000006176797 568850814 /nfs/dbraw/zinc/85/08/14/568850814.db2.gz KYAZLMNJSGRFOX-UHFFFAOYSA-N 0 0 425.513 5.572 40 30 IKEBRN C#CCOC(=O)c1cc(Br)c(OCc2ccc(F)cc2Cl)c(OCC)c1 ZINC000216830617 568861511 /nfs/dbraw/zinc/86/15/11/568861511.db2.gz BGYIJLRCTHVBRL-UHFFFAOYSA-N 0 0 441.680 5.009 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OCC ZINC000032109998 568865929 /nfs/dbraw/zinc/86/59/29/568865929.db2.gz UNYULOSEMFXQFS-MOSHPQCFSA-N 0 0 429.925 5.540 40 30 IKEBRN Cc1ccc(/N=C(\c2ccccc2)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc(C)cc2)cc1 ZINC000033454602 568866359 /nfs/dbraw/zinc/86/63/59/568866359.db2.gz FETFHOWIUKAAPJ-ORIPQNMZSA-N 0 0 449.510 6.637 40 30 IKEBRN Cc1ccc(/N=C2\SCCCN2C(=O)/C=C/c2ccc(Br)o2)cc1Cl ZINC000016050340 568869372 /nfs/dbraw/zinc/86/93/72/568869372.db2.gz WSHFDUWLVADLPY-LGIBAPSDSA-N 0 0 439.762 5.670 40 30 IKEBRN Cc1ccc(OCc2nc(SCc3ccc(Cl)cc3Cl)nc(N)c2C#N)cc1 ZINC000223687169 568876489 /nfs/dbraw/zinc/87/64/89/568876489.db2.gz DQILSLKINIVUTJ-UHFFFAOYSA-N 0 0 431.348 5.417 40 30 IKEBRN Cc1ccc(N2Cc3ccccc3/C2=N\C(=O)c2ccc(-c3ccccc3)cc2)cc1Cl ZINC000102500381 568886053 /nfs/dbraw/zinc/88/60/53/568886053.db2.gz KMXVVWICWBYRAB-KDJFERLWSA-N 0 0 436.942 6.923 40 30 IKEBRN N#CC(C#N)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@]31N=2 ZINC000102674517 568887869 /nfs/dbraw/zinc/88/78/69/568887869.db2.gz OTRFRNNIWWWYJW-BRWNIOCJSA-N 0 0 440.550 5.049 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N/c3cccc(C)c3)N(CCCSC)C2=O)cc1 ZINC000102923058 568890554 /nfs/dbraw/zinc/89/05/54/568890554.db2.gz RAZKWSMPVZRHGS-BUUFFXLRSA-N 0 0 426.607 5.751 40 30 IKEBRN CCOc1ccc(Oc2c(/C=N/c3ccc(F)c(Cl)c3)c(C)nn2-c2ccccc2)cc1 ZINC000102927687 568890567 /nfs/dbraw/zinc/89/05/67/568890567.db2.gz IUZACRLLUALYHH-LQKURTRISA-N 0 0 449.913 6.915 40 30 IKEBRN O=C1/C(=C/c2ccc(Cl)cc2)S/C(=N\c2ccccc2)N1[C@@H]1CCCc2ccccc21 ZINC000103018710 568891351 /nfs/dbraw/zinc/89/13/51/568891351.db2.gz TWKSTXVZGLYRBY-XGXMNKTLSA-N 0 0 444.987 7.022 40 30 IKEBRN COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccc(C)cc2)cc1Cl ZINC000027061691 568894716 /nfs/dbraw/zinc/89/47/16/568894716.db2.gz DKMODKNHXDWNDZ-HXUWFJFHSA-N 0 0 439.920 5.501 40 30 IKEBRN COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)cc1Cl ZINC000027061663 568894817 /nfs/dbraw/zinc/89/48/17/568894817.db2.gz SWYHTUQMKGRDNF-IBGZPJMESA-N 0 0 425.893 5.193 40 30 IKEBRN Cc1sc2ncnc(N=NCc3cccc(NC(=O)c4ccccc4Cl)c3)c2c1C ZINC000033045703 568896182 /nfs/dbraw/zinc/89/61/82/568896182.db2.gz ZKIYVYCYLVGKQZ-KBKYJPHKSA-N 0 0 435.940 5.660 40 30 IKEBRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1/C=N/c1ccc(OC(F)F)cc1 ZINC000102957272 568900302 /nfs/dbraw/zinc/90/03/02/568900302.db2.gz WEJPPJPSKIVKPD-NSKAYECMSA-N 0 0 429.776 6.205 40 30 IKEBRN Cc1cccc(/N=C/c2ccc(OC(=O)c3ccco3)cc2OC(=O)c2ccco2)c1C ZINC000100145884 568900316 /nfs/dbraw/zinc/90/03/16/568900316.db2.gz RRQVCRXIBRNXBB-CVKSISIWSA-N 0 0 429.428 5.678 40 30 IKEBRN C[C@H]1CCCCC1N=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000102983133 568900523 /nfs/dbraw/zinc/90/05/23/568900523.db2.gz XILSPTHKPGEFQZ-NGFMMCKOSA-N 0 0 436.921 5.027 40 30 IKEBRN Fc1ccc(/C=N/n2c(SCc3c(F)cccc3Cl)nnc2-c2ccccc2)cc1 ZINC000001792310 568908003 /nfs/dbraw/zinc/90/80/03/568908003.db2.gz OUFNIISRHFLFPT-LGJNPRDNSA-N 0 0 440.906 6.051 40 30 IKEBRN COc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000001927692 568923355 /nfs/dbraw/zinc/92/33/55/568923355.db2.gz MNXPXOIMGWLTSF-WNPFHQFXSA-N 0 0 431.355 5.168 40 30 IKEBRN C=CCSC1=NN2[C@H](c3cccc(Oc4ccccc4)c3)Nc3ccccc3[C@@H]2C(=O)N1 ZINC000588229222 568927023 /nfs/dbraw/zinc/92/70/23/568927023.db2.gz NYBKUWCZLAXXFC-DHIUTWEWSA-N 0 0 442.544 5.266 40 30 IKEBRN COC(=O)c1sc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)c(C#N)c1C ZINC000017095167 569172472 /nfs/dbraw/zinc/17/24/72/569172472.db2.gz KJYPAXOHJWCBPH-CSKARUKUSA-N 0 0 426.881 5.280 40 30 IKEBRN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1C ZINC000017094586 569172515 /nfs/dbraw/zinc/17/25/15/569172515.db2.gz CUMQCLRYQHMBMI-INIZCTEOSA-N 0 0 425.623 5.514 40 30 IKEBRN Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c1 ZINC000017094590 569172860 /nfs/dbraw/zinc/17/28/60/569172860.db2.gz MXWQLAOLCWHNME-INIZCTEOSA-N 0 0 425.623 5.514 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccccc3Cl)sc2C1 ZINC000017097781 569173305 /nfs/dbraw/zinc/17/33/05/569173305.db2.gz WDWMOTDIBAVKKY-LBPRGKRZSA-N 0 0 432.014 5.551 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)sc2C1 ZINC000017102952 569173401 /nfs/dbraw/zinc/17/34/01/569173401.db2.gz ANNDOOXHPKIFSS-OAHLLOKOSA-N 0 0 438.980 6.936 40 30 IKEBRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000017101229 569173549 /nfs/dbraw/zinc/17/35/49/569173549.db2.gz VNCWHQSXJQXCKY-LLVKDONJSA-N 0 0 437.392 6.338 40 30 IKEBRN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c(F)c1 ZINC000017099924 569173569 /nfs/dbraw/zinc/17/35/69/569173569.db2.gz RHRHGYXRPKHYFQ-UHFFFAOYSA-N 0 0 436.240 5.520 40 30 IKEBRN COc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Cl ZINC000017101223 569173771 /nfs/dbraw/zinc/17/37/71/569173771.db2.gz 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30 IKEBRN CC(C)n1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 ZINC000101432892 519929099 /nfs/dbraw/zinc/92/90/99/519929099.db2.gz FMGPWQSDNWLWLE-NTFVMDSBSA-N 0 0 447.648 6.976 40 30 IKEBRN CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000002128121 519959717 /nfs/dbraw/zinc/95/97/17/519959717.db2.gz NKJYZYWCGKSMSV-GOSCKZQVSA-N 0 0 442.640 6.360 40 30 IKEBRN CCCCCCCCCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]12C ZINC000072399801 519980482 /nfs/dbraw/zinc/98/04/82/519980482.db2.gz XXXNFLRIRGXPDQ-GVGNIZHQSA-N 0 0 440.668 7.604 40 30 in-vitro IKEBRN CCCCCCCCCCCC(=O)Oc1ccc(/C=N/c2nc3ccccc3s2)cc1 ZINC000068603674 519984134 /nfs/dbraw/zinc/98/41/34/519984134.db2.gz NLWRIIMCTXAYLG-NHFJDJAPSA-N 0 0 436.621 7.873 40 30 IKEBRN CCCCCCCCCCCCC/C=C/[C@@H](OCOC)[C@@H](COCOC)OC(C)=O ZINC000095612021 519985817 /nfs/dbraw/zinc/98/58/17/519985817.db2.gz JOSCSIUPYUMNLZ-BEZSILKHSA-N 0 0 430.626 5.785 40 30 IKEBRN CCCCCCCCCCCCC/C=C/[C@H](OCOC)[C@@H](COCOC)OC(C)=O ZINC000095612020 519986412 /nfs/dbraw/zinc/98/64/12/519986412.db2.gz JOSCSIUPYUMNLZ-HEFFAWAOSA-N 0 0 430.626 5.785 40 30 IKEBRN CCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCC ZINC000100306078 519989613 /nfs/dbraw/zinc/98/96/13/519989613.db2.gz QEIJVPZRDAHCHE-UHFFFAOYSA-N 0 0 438.781 10.322 40 30 IKEBRN CCCCCCCCCCCCCCCC(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000100931339 519991408 /nfs/dbraw/zinc/99/14/08/519991408.db2.gz WTNYAUGULCTJCC-UHFFFAOYSA-N 0 0 435.652 8.337 40 30 IKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(F)cc1 ZINC000104376623 519995022 /nfs/dbraw/zinc/99/50/22/519995022.db2.gz JTZGJUSGXZNYJD-BYNJWEBRSA-N 0 0 449.724 7.885 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(Cl)cc1 ZINC000100355376 519998109 /nfs/dbraw/zinc/99/81/09/519998109.db2.gz DCFHCQYWHWVOGA-MEFGMAGPSA-N 0 0 438.125 7.619 40 30 IKEBRN CCCCCCCCCCCCOC(=O)C(=O)OCCCCCCCCCCCC ZINC000078199425 520011580 /nfs/dbraw/zinc/01/15/80/520011580.db2.gz KYBDAUNESKLXAZ-UHFFFAOYSA-N 0 0 426.682 7.915 40 30 IKEBRN CCCCCCCCCCOc1ccc(/N=N/c2ccc(CCCC)cc2)c(Cl)c1 ZINC000068568979 520021706 /nfs/dbraw/zinc/02/17/06/520021706.db2.gz XBVRACMBTSXNQO-ZQHSETAFSA-N 0 0 429.048 9.618 40 30 IKEBRN CCCCCCCCCC[C@@H](C(=O)OCCCC)P(=O)(OCCCC)OCCCC ZINC000104332861 520024264 /nfs/dbraw/zinc/02/42/64/520024264.db2.gz LDUMVHJBGPZORD-QHCPKHFHSA-N 0 0 448.625 8.056 40 30 IKEBRN CCCCCCCCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1ccccc1 ZINC000100921852 520027012 /nfs/dbraw/zinc/02/70/12/520027012.db2.gz BGESOWPFWBGFQJ-RUZDIDTESA-N 0 0 443.587 6.549 40 30 IKEBRN CCCCCCCCCN(c1ccc(C(=O)OCC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000104129052 520027558 /nfs/dbraw/zinc/02/75/58/520027558.db2.gz ALXZRDVGMQRJMC-UHFFFAOYSA-N 0 0 445.625 6.118 40 30 IKEBRN CCCCCCCCNC(=O)C[C@@H]1c2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000064858357 520033777 /nfs/dbraw/zinc/03/37/77/520033777.db2.gz AFBOFJAXQUATPU-XXBNENTESA-N 0 0 441.015 6.339 40 30 in-vitro IKEBRN CCCCCCCCNC(=O)C[C@H]1c2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@H]1C ZINC000064858365 520033798 /nfs/dbraw/zinc/03/37/98/520033798.db2.gz AFBOFJAXQUATPU-WMZHIEFXSA-N 0 0 441.015 6.339 40 30 in-vitro IKEBRN CCCCCCCCOc1ccc(C(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1 ZINC000002556890 520043843 /nfs/dbraw/zinc/04/38/43/520043843.db2.gz ILQVFGUXJOSAJH-UHFFFAOYSA-N 0 0 429.771 7.605 40 30 IKEBRN CCCCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccncc3)cc2)cc1 ZINC000059663765 520064363 /nfs/dbraw/zinc/06/43/63/520064363.db2.gz QKYMAMWWRUCVRA-UHFFFAOYSA-N 0 0 433.504 5.869 40 30 IKEBRN CCCCCCOc1ccc(/C=C\C(=O)/C=C\c2ccc(OCCCCCC)cc2)cc1 ZINC000077051464 520103233 /nfs/dbraw/zinc/10/32/33/520103233.db2.gz XKEDONQIWMPPPP-WHYMJUELSA-N 0 0 434.620 7.901 40 30 IKEBRN CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@H]3C/C(=C\c4cnn(C)c4)C(=O)[C@]3(C)CC[C@H]21 ZINC000071784706 520108561 /nfs/dbraw/zinc/10/85/61/520108561.db2.gz WVXXEBLHRGPWQV-PYGBUKNPSA-N 0 0 446.635 6.498 40 30 IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(Br)cc3)c(C)c2s1 ZINC000072228604 520184108 /nfs/dbraw/zinc/18/41/08/520184108.db2.gz HHZSASAPTSJLHP-MSXFZWOLSA-N 0 0 445.386 6.126 40 30 IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cc4ccccc4cc3OC)c(C)c2s1 ZINC000072228638 520184914 /nfs/dbraw/zinc/18/49/14/520184914.db2.gz FJFPQBXTNBLYIN-MBTHVWNTSA-N 0 0 446.576 6.525 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@@H]2c1ccccc1 ZINC000012652067 520261853 /nfs/dbraw/zinc/26/18/53/520261853.db2.gz DNZMYUGACKGLFJ-XMMPIXPASA-N 0 0 428.557 6.205 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@H]2c1ccc(F)cc1 ZINC000012652078 520262748 /nfs/dbraw/zinc/26/27/48/520262748.db2.gz XHIRCSMLJUGCJY-DEOSSOPVSA-N 0 0 446.547 6.344 40 30 IKEBRN CCO/C(=N/c1ccc(F)cc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000104229394 520389786 /nfs/dbraw/zinc/38/97/86/520389786.db2.gz MZKZHUWRLRTRIV-IKPAITLHSA-N 0 0 441.571 7.575 40 30 IKEBRN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N\c1ccc2c(c1)OCCO2 ZINC000012406339 520573152 /nfs/dbraw/zinc/57/31/52/520573152.db2.gz VHXBRGQYPOBSKD-PHHYILGUSA-N 0 0 438.527 5.414 40 30 IKEBRN CC1(C)[C@H](C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2)[C@H]1/C=C(/Cl)C(F)(F)F ZINC000022001440 520650356 /nfs/dbraw/zinc/65/03/56/520650356.db2.gz ZXQYGBMAQZUVMI-USPYJIPSSA-N 0 0 449.856 6.544 40 30 IKEBRN CCOc1cc([C@@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)ccc1OC(=O)CC ZINC000013564279 520779843 /nfs/dbraw/zinc/77/98/43/520779843.db2.gz LFZQYYVEXVTYBC-AREMUKBSSA-N 0 0 441.527 6.118 40 30 IKEBRN CCCCOc1ccc(/C=N/N(C)c2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 ZINC000013548636 520854664 /nfs/dbraw/zinc/85/46/64/520854664.db2.gz BCIJXTKQEOCHPZ-XHLNEMQHSA-N 0 0 436.559 6.460 40 30 IKEBRN CCN(CC)c1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1 ZINC000033960856 520882720 /nfs/dbraw/zinc/88/27/20/520882720.db2.gz XLLVCEWUWMRFCJ-RQKHIDBKSA-N 0 0 443.635 6.570 40 30 IKEBRN CCOC(=O)C[C@H](O)CC(=O)C=Cc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 ZINC000067665316 520896009 /nfs/dbraw/zinc/89/60/09/520896009.db2.gz KXNNBTMXWWLIAO-QZMUEMGWSA-N 0 0 447.506 5.205 40 30 in-vitro IKEBRN CCOc1ccc(OCCCC(=O)N2CCCS/C2=N\c2ccc(C(C)=O)cc2)cc1 ZINC000013097479 521171249 /nfs/dbraw/zinc/17/12/49/521171249.db2.gz ZQLWMNLCHKTLRB-IZHYLOQSSA-N 0 0 440.565 5.100 40 30 IKEBRN CCCCc1ccc(S(=O)(=O)Oc2ccc(/N=C/c3ccc4c(c3)OCO4)cc2)cc1 ZINC000100164386 521285825 /nfs/dbraw/zinc/28/58/25/521285825.db2.gz GPKGNJXKKOCGFY-PCLIKHOPSA-N 0 0 437.517 5.276 40 30 IKEBRN CCOc1ccc2c(c1)S/C(=C1\c3ccc(Cl)c4c3c(ccc4Cl)C1=O)C2=O ZINC000008870402 521292662 /nfs/dbraw/zinc/29/26/62/521292662.db2.gz AENOFEOICSGDEY-RELWKKBWSA-N 0 0 427.308 6.441 40 30 IKEBRN CCOc1ccc2cc(C#N)c(SCC(=O)N(c3ccccc3)c3ccccc3)nc2c1 ZINC000035311874 521295523 /nfs/dbraw/zinc/29/55/23/521295523.db2.gz RXFVFUBMSMHYBI-UHFFFAOYSA-N 0 0 439.540 5.962 40 30 IKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc(Br)cc1 ZINC000013303861 521513523 /nfs/dbraw/zinc/51/35/23/521513523.db2.gz ZQOYXVICUFAESV-HSHHTGOPSA-N 0 0 446.395 5.443 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)c1 ZINC000009196548 521534718 /nfs/dbraw/zinc/53/47/18/521534718.db2.gz YDBRMUNNQKPJRO-LGJNPRDNSA-N 0 0 444.362 5.701 40 30 IKEBRN CCOC(=O)c1sc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c(C#N)c1C ZINC000001268432 521611640 /nfs/dbraw/zinc/61/16/40/521611640.db2.gz JFFZBJHSAPMGJG-AATRIKPKSA-N 0 0 439.320 5.072 40 30 IKEBRN CCN1c2ccc(/C=C3\S/C(=N\c4ccc(C)c(C)c4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223533552 521730414 /nfs/dbraw/zinc/73/04/14/521730414.db2.gz DQTQSNCRNAPVGS-PVFDWLMNSA-N 0 0 433.621 6.307 40 30 IKEBRN CCSc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000022608487 521785351 /nfs/dbraw/zinc/78/53/51/521785351.db2.gz HJPHNCLWTQHFJK-MWTRTKDXSA-N 0 0 446.576 5.237 40 30 IKEBRN CCSc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C1C(=O)C[C@H](C)CC1=N2 ZINC000022608484 521786120 /nfs/dbraw/zinc/78/61/20/521786120.db2.gz HJPHNCLWTQHFJK-WAIKUNEKSA-N 0 0 446.576 5.237 40 30 IKEBRN CCSc1nc2n(n1)[C@@H](c1ccc(OCc3ccccc3)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000022608481 521786370 /nfs/dbraw/zinc/78/63/70/521786370.db2.gz HJPHNCLWTQHFJK-HJPURHCSSA-N 0 0 446.576 5.237 40 30 IKEBRN COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1ccccc1Cl ZINC000208823156 521948757 /nfs/dbraw/zinc/94/87/57/521948757.db2.gz IAJRUDQSVYHTHD-VGOFMYFVSA-N 0 0 436.689 5.006 40 30 IKEBRN COc1cc(/C=N/N(Cc2ccccc2)c2ccccc2)ccc1OC(=O)c1ccco1 ZINC000013062506 521984974 /nfs/dbraw/zinc/98/49/74/521984974.db2.gz HGRZVSRUTIJBGD-OVVQPSECSA-N 0 0 426.472 5.548 40 30 IKEBRN COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(Cl)cc1 ZINC000009195285 521990847 /nfs/dbraw/zinc/99/08/47/521990847.db2.gz RSOYUDAQOJFXSU-RPPGKUMJSA-N 0 0 449.765 6.358 40 30 IKEBRN CC[C@@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC(F)F)cc1 ZINC000102961955 522109702 /nfs/dbraw/zinc/10/97/02/522109702.db2.gz NSMRBIFQENEVOQ-OIMCNTJKSA-N 0 0 447.507 5.047 40 30 IKEBRN CC[C@@H](C)Nc1nc(Nc2ccc(C(F)(F)F)cc2C(F)(F)F)cc(C(F)(F)F)n1 ZINC000329010759 522139938 /nfs/dbraw/zinc/13/99/38/522139938.db2.gz MBJWEVBUTPMDKE-MRVPVSSYSA-N 0 0 446.317 5.331 40 30 IKEBRN COc1cc(OC)c([C@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567786 522834264 /nfs/dbraw/zinc/83/42/64/522834264.db2.gz XNHMKGLIGXMGOB-GOSISDBHSA-N 0 0 449.547 5.185 40 30 IKEBRN CCn1c2ccccc2c2cc(/N=C3/C=C(c4ccccc4)[C@@](O)(c4ccccc4)C3)ccc21 ZINC000012524581 523275907 /nfs/dbraw/zinc/27/59/07/523275907.db2.gz MOUHOLTUVPPVLV-RTWZCCMVSA-N 0 0 442.562 7.262 40 30 IKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccc(Cl)cc4)c3C)C2=O)c2ccccc21 ZINC000028182604 523308292 /nfs/dbraw/zinc/30/82/92/523308292.db2.gz WPOMVAFQPOBABC-QFEZKATASA-N 0 0 443.930 6.818 40 30 IKEBRN COc1ccc(/C=C2\C[C@@H]3[C@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@@]3(C)C2=O)cc1 ZINC000036612259 523420223 /nfs/dbraw/zinc/42/02/23/523420223.db2.gz FJIRFWDJPBXNKB-UTBSFMFSSA-N 0 0 430.544 5.739 40 30 IKEBRN COc1ccc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)cc1OCc1ccccc1 ZINC000030684114 523458544 /nfs/dbraw/zinc/45/85/44/523458544.db2.gz YIIGEADLQIYKRE-IMRQLAEWSA-N 0 0 435.955 5.084 40 30 IKEBRN COc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2[C@@H](C)c2ccccc2)cc1 ZINC000102925420 523468894 /nfs/dbraw/zinc/46/88/94/523468894.db2.gz BTNUFIUQQYFFJK-QVGARYPSSA-N 0 0 448.975 6.714 40 30 IKEBRN COc1ccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)cc1 ZINC000012482478 523470016 /nfs/dbraw/zinc/47/00/16/523470016.db2.gz CKWRJAISLCNMDH-CYYJNZCTSA-N 0 0 425.557 6.347 40 30 IKEBRN COc1ccc(/N=C2\NC(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000004788333 523470734 /nfs/dbraw/zinc/47/07/34/523470734.db2.gz GXWCLHZQMFPTCJ-UYRXBGFRSA-N 0 0 443.450 5.396 40 30 IKEBRN COc1ccc(C(=O)CC(=CC(=O)c2ccc(Br)cc2)c2ccccc2)cc1 ZINC000100339725 523535006 /nfs/dbraw/zinc/53/50/06/523535006.db2.gz ZSSXBNVKMBKHSS-CAPFRKAQSA-N 0 0 435.317 5.997 40 30 IKEBRN CCc1ccc(/N=C2\NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)S2)cc1 ZINC000033713571 523874744 /nfs/dbraw/zinc/87/47/44/523874744.db2.gz JMTDRUQQMPIFQC-HZHRSRAPSA-N 0 0 448.975 6.373 40 30 IKEBRN CCc1ccc(N2C(=O)C[C@@H](c3ccc(OC)cc3OC)C3=C2CC(C)(C)CC3=O)cc1 ZINC000013567833 523963385 /nfs/dbraw/zinc/96/33/85/523963385.db2.gz VZJGGJVHZGUOIQ-NRFANRHFSA-N 0 0 433.548 5.430 40 30 IKEBRN CN(C)/C=N/c1nc(-c2ccccc2)c(C(=O)Nc2ccc(-c3ccccc3)cc2)s1 ZINC000054596828 523969141 /nfs/dbraw/zinc/96/91/41/523969141.db2.gz ZNUMDLTXCRVZPS-YZSQISJMSA-N 0 0 426.545 5.951 40 30 IKEBRN CN1c2ccccc2S/C1=C1\S/C(=N\c2ccccc2Cl)N(c2ccccc2)C1=O ZINC000003013682 524036146 /nfs/dbraw/zinc/03/61/46/524036146.db2.gz LAZXEKSLNXFXRL-JXAXBCJLSA-N 0 0 449.988 6.519 40 30 IKEBRN CCc1ccc2nc(N3CCCN(C(=O)Nc4c(C)cccc4C)CC3)c(C#N)cc2c1 ZINC000035311725 524060053 /nfs/dbraw/zinc/06/00/53/524060053.db2.gz MOMDXTZWKZPQRQ-UHFFFAOYSA-N 0 0 427.552 5.030 40 30 IKEBRN Cc1ccc2oc(-c3cccc(/N=C/c4cc5c(cc4Br)OCO5)c3)nc2c1 ZINC000000864743 524086069 /nfs/dbraw/zinc/08/60/69/524086069.db2.gz MSLYXSZABPHCDR-BHGWPJFGSA-N 0 0 435.277 6.045 40 30 IKEBRN Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2Cc2ccccc2)c1 ZINC000013080562 524155269 /nfs/dbraw/zinc/15/52/69/524155269.db2.gz JKAFXXMAVDDEAU-SLJQUXCSSA-N 0 0 443.597 6.169 40 30 IKEBRN COc1cccc([C@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000013567808 524172694 /nfs/dbraw/zinc/17/26/94/524172694.db2.gz XGFSZHBIPSIMCU-GOSISDBHSA-N 0 0 439.939 5.521 40 30 IKEBRN Cc1cc(C)c(-c2c(C#N)c(N)nc3c2CCCC3)cc1COc1ccc(F)cc1Cl ZINC000012445184 524209399 /nfs/dbraw/zinc/20/93/99/524209399.db2.gz OLIGWKQTBJOIJU-UHFFFAOYSA-N 0 0 435.930 6.070 40 30 IKEBRN COc1ccc(NC[C@@H](C#N)c2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000026895948 524676984 /nfs/dbraw/zinc/67/69/84/524676984.db2.gz XWNIDARTXJVJLR-GOSISDBHSA-N 0 0 437.337 5.756 40 30 IKEBRN Cc1ccc(N(C(=O)c2ccc([N+](=O)[O-])cc2)/C(=N/c2ccccc2)c2ccccc2)cc1 ZINC000033454658 524876060 /nfs/dbraw/zinc/87/60/60/524876060.db2.gz LDYUNXLGMNCTAS-BYCLXTJYSA-N 0 0 435.483 6.329 40 30 IKEBRN COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000013567811 524891078 /nfs/dbraw/zinc/89/10/78/524891078.db2.gz SZHFNZRNKDBKGD-IBGZPJMESA-N 0 0 439.939 5.521 40 30 IKEBRN COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cccnc2)c1 ZINC000013568639 524910729 /nfs/dbraw/zinc/91/07/29/524910729.db2.gz YLNXEHYCYXBHDD-WGDIFIGCSA-N 0 0 427.504 5.078 40 30 IKEBRN COc1ccc(OC)c([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c1 ZINC000013567942 524913144 /nfs/dbraw/zinc/91/31/44/524913144.db2.gz YCARZFRIDBLSRY-GOSISDBHSA-N 0 0 425.912 5.193 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(C=NNc3nc4ccccc4s3)c2)cc1C ZINC000035415577 525070711 /nfs/dbraw/zinc/07/07/11/525070711.db2.gz NHCPPJWOIKBRJX-QFEZKATASA-N 0 0 430.533 5.377 40 30 IKEBRN Cc1ccc(NC(=O)CSc2nc3c(C)cccc3cc2C#N)c(Br)c1 ZINC000035288723 525077798 /nfs/dbraw/zinc/07/77/98/525077798.db2.gz ZETVGIDBKJTIAU-UHFFFAOYSA-N 0 0 426.339 5.217 40 30 IKEBRN Cc1ccc(NC(=O)CSc2nc3cc(C)ccc3cc2C#N)c(Br)c1 ZINC000035288721 525078630 /nfs/dbraw/zinc/07/86/30/525078630.db2.gz ZPJLSDNNWULUJC-UHFFFAOYSA-N 0 0 426.339 5.217 40 30 IKEBRN Cc1ccc(NC(=O)CSc2nc3ccc(C)cc3cc2C#N)c(Br)c1 ZINC000035288719 525080363 /nfs/dbraw/zinc/08/03/63/525080363.db2.gz QQHRBGQJDABJPN-UHFFFAOYSA-N 0 0 426.339 5.217 40 30 IKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1Cl ZINC000000876568 525230019 /nfs/dbraw/zinc/23/00/19/525230019.db2.gz BYOAWBJIXZAHMY-QFIPXVFZSA-N 0 0 441.358 5.908 40 30 IKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000013080640 525230148 /nfs/dbraw/zinc/23/01/48/525230148.db2.gz HWRVUKINBVTWFD-JOCHJYFZSA-N 0 0 441.358 5.908 40 30 IKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000013080652 525230876 /nfs/dbraw/zinc/23/08/76/525230876.db2.gz HWRVUKINBVTWFD-QFIPXVFZSA-N 0 0 441.358 5.908 40 30 IKEBRN COc1ccc([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c(OC)c1 ZINC000013567939 525234076 /nfs/dbraw/zinc/23/40/76/525234076.db2.gz XRAVNYPMFLHXIM-SFHVURJKSA-N 0 0 425.912 5.193 40 30 IKEBRN CS/C(=N/N=C/c1ccc(Cl)cc1Cl)N/N=C/c1ccc(Cl)cc1Cl ZINC000100930593 525286593 /nfs/dbraw/zinc/28/65/93/525286593.db2.gz RESWFBPFCVRLLK-QFNQXPJWSA-N 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IKEBRN COc1ccc2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O ZINC000100288587 525650576 /nfs/dbraw/zinc/65/05/76/525650576.db2.gz RTFKJFICWLAVQA-ZEHKLFRWSA-N 0 0 442.584 6.785 40 30 IKEBRN Cc1c(Cl)cccc1/N=C1/NC(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)S1 ZINC000033784016 525751008 /nfs/dbraw/zinc/75/10/08/525751008.db2.gz DAWPIDWECXUDLA-UNOMPAQXSA-N 0 0 428.344 5.984 40 30 IKEBRN COc1cccc(/C=N/Nc2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)c1 ZINC000013402372 525771974 /nfs/dbraw/zinc/77/19/74/525771974.db2.gz MKEIGFRDZLIMKT-DHRITJCHSA-N 0 0 427.485 5.524 40 30 IKEBRN COc1cccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2Cc2ccccc2)c1 ZINC000012482487 525776855 /nfs/dbraw/zinc/77/68/55/525776855.db2.gz WJGLCCXUCUFBBS-CYYJNZCTSA-N 0 0 425.557 6.347 40 30 IKEBRN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl ZINC000033957396 525913828 /nfs/dbraw/zinc/91/38/28/525913828.db2.gz KAZZDRRNZVOQBJ-VQXFMAJUSA-N 0 0 441.402 7.030 40 30 IKEBRN Cc1ccc(/N=C/C=C2/C=C(c3ccccc3)OC(C)(C)O2)cc1NC(=O)c1ccccc1 ZINC000013616258 525969042 /nfs/dbraw/zinc/96/90/42/525969042.db2.gz FASAZHMWKWQXKQ-MQOOMQLBSA-N 0 0 438.527 6.658 40 30 IKEBRN Cc1ccc(/N=C2\Sc3nc4cc5c(cc4cc3CN2C[C@@H]2CCCO2)OCO5)cc1 ZINC000013511138 525972350 /nfs/dbraw/zinc/97/23/50/525972350.db2.gz GSAYFZRGXUXTRX-LYEHZDMLSA-N 0 0 433.533 5.046 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)cc1 ZINC000013475592 525973214 /nfs/dbraw/zinc/97/32/14/525973214.db2.gz UEJXYZVJWOOHTC-QDJRPKQISA-N 0 0 429.570 6.174 40 30 IKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000009196472 526093100 /nfs/dbraw/zinc/09/31/00/526093100.db2.gz GXMJYGNTMKWMLZ-KIBLKLHPSA-N 0 0 441.189 6.831 40 30 IKEBRN Cc1ccc2cc(C=NNc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)c(=O)[nH]c2c1 ZINC000058161129 526224079 /nfs/dbraw/zinc/22/40/79/526224079.db2.gz DNVKMLKQSUHMCX-MZJWZYIUSA-N 0 0 439.906 5.546 40 30 IKEBRN Cc1ccc2nc3c(cc2c1)CN(Cc1cccs1)/C(=N\CCc1ccccc1)S3 ZINC000013511093 526257013 /nfs/dbraw/zinc/25/70/13/526257013.db2.gz RTMSJDWWPKHAOO-OCEACIFDSA-N 0 0 429.614 6.311 40 30 IKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)c1 ZINC000012274890 526257674 /nfs/dbraw/zinc/25/76/74/526257674.db2.gz ZQPLBAKYXDCSHL-YBFXNURJSA-N 0 0 443.355 6.762 40 30 IKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1 ZINC000008820974 526258153 /nfs/dbraw/zinc/25/81/53/526258153.db2.gz CBSLQCULMIILCQ-RGVLZGJSSA-N 0 0 443.355 6.762 40 30 IKEBRN S=C1/C(=N\c2ccccc2)N(c2ccccc2)/C(=N/c2ccccn2)N1c1ccccc1 ZINC000104311647 526386635 /nfs/dbraw/zinc/38/66/35/526386635.db2.gz NTFQVQVCZMCMMY-OXDDFSCNSA-N 0 0 433.540 6.154 40 30 IKEBRN O=C(Oc1ccc(/C=N/c2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1)c1ccco1 ZINC000000802249 526438165 /nfs/dbraw/zinc/43/81/65/526438165.db2.gz SCXIQYFNSGAGAY-JFLMPSFJSA-N 0 0 442.858 6.711 40 30 IKEBRN N#C[C@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000004974326 526510993 /nfs/dbraw/zinc/51/09/93/526510993.db2.gz SDMPHYZQABZFTH-JGCGQSQUSA-N 0 0 449.597 8.112 40 30 IKEBRN O=C(c1ccccc1)N1C(=O)N(c2ccccc2)C(=N/c2ccccc2)/C1=N/c1ccccc1 ZINC000104311516 526790962 /nfs/dbraw/zinc/79/09/62/526790962.db2.gz HXWMFCLWDJULMR-LQJPZNDESA-N 0 0 444.494 6.229 40 30 IKEBRN Clc1ccc(N=CCC(=Nc2ccc(Cl)cc2)c2ccc(Br)cc2)cc1 ZINC000101062805 526941108 /nfs/dbraw/zinc/94/11/08/526941108.db2.gz LUPXJMMBJSUUAZ-HNCIKHADSA-N 0 0 446.175 7.503 40 30 IKEBRN O=C1/C(=C/c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N2CCC1CC2 ZINC000104148978 526941312 /nfs/dbraw/zinc/94/13/12/526941312.db2.gz RKAOPLBUCFQQNR-UQQQWYQISA-N 0 0 425.528 5.480 40 30 IKEBRN O=C1CCCC/C1=C1/SC(=N\c2ccccc2)/C(=N\c2ccccc2)N1c1ccccc1 ZINC000017255787 526966229 /nfs/dbraw/zinc/96/62/29/526966229.db2.gz UQFVZTVHLXGIEC-DVQPUMTRSA-N 0 0 437.568 7.055 40 30 IKEBRN Clc1ccccc1/C=N\c1ccc2c(c1)Cc1cc(/N=C\c3ccccc3Cl)ccc1-2 ZINC000104391458 526986899 /nfs/dbraw/zinc/98/68/99/526986899.db2.gz XGFBVDAHUXIEKP-SXPCWOMBSA-N 0 0 441.361 8.066 40 30 IKEBRN O=C1CSC(=S)N1/N=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000003275905 527016490 /nfs/dbraw/zinc/01/64/90/527016490.db2.gz KIDFKCBCEKOBFS-AFUMVMLFSA-N 0 0 448.569 5.039 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008821061 527040635 /nfs/dbraw/zinc/04/06/35/527040635.db2.gz SMCKDVCEKVZXAZ-WOJGMQOQSA-N 0 0 425.853 5.400 40 30 IKEBRN O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1ccc(Br)cc1 ZINC000008821167 527041748 /nfs/dbraw/zinc/04/17/48/527041748.db2.gz ICPCJTZRLJELSE-ZROIWOOFSA-N 0 0 438.144 5.103 40 30 IKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000013476991 527043219 /nfs/dbraw/zinc/04/32/19/527043219.db2.gz KMVLDKQZXPNHKT-WOJGMQOQSA-N 0 0 425.853 5.400 40 30 IKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000033918884 527045283 /nfs/dbraw/zinc/04/52/83/527045283.db2.gz XBAIZKHLPRQVJL-WQRHYEAKSA-N 0 0 425.853 5.400 40 30 IKEBRN Cn1cc(/C=C2\Oc3cc(OCc4ccc(F)cc4Cl)ccc3C2=O)c2ccccc21 ZINC000028182456 527145088 /nfs/dbraw/zinc/14/50/88/527145088.db2.gz PDIMBRULMIXPCZ-VROXFSQNSA-N 0 0 433.866 6.166 40 30 IKEBRN O=[N+]([O-])c1cc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1Cl ZINC000015018407 527326426 /nfs/dbraw/zinc/32/64/26/527326426.db2.gz KCRYFDIOJUZPOL-ZVHZXABRSA-N 0 0 430.855 5.213 40 30 IKEBRN O=[N+]([O-])c1ccc(C=[NH+][N-]c2nnc3[n-][nH+]c(-c4ccccc4)c(-c4ccccc4)c2-3)cc1 ZINC000016492349 527345787 /nfs/dbraw/zinc/34/57/87/527345787.db2.gz NJXRMPOENQHROD-MFKUBSTISA-N 0 0 435.447 5.041 40 30 IKEBRN O=c1c2ccccc2nc(COc2cccc3ccccc32)n1/N=C/c1cc2ccccc2[nH]1 ZINC000016545064 527465970 /nfs/dbraw/zinc/46/59/70/527465970.db2.gz OKHMETFZFZZGFI-STBIYBPSSA-N 0 0 444.494 5.492 40 30 IKEBRN Cc1nn(-c2ccccc2)c(Cl)c1/C=N/N=C(/C(=O)c1ccccc1)c1ccccc1 ZINC000012566234 527547866 /nfs/dbraw/zinc/54/78/66/527547866.db2.gz CRNWIYMYGTZZOE-NYWHHRKGSA-N 0 0 426.907 5.540 40 30 IKEBRN O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000100400367 527651453 /nfs/dbraw/zinc/65/14/53/527651453.db2.gz JLROVADVPPVTIW-VOKWCDJLSA-N 0 0 445.862 5.619 40 30 IKEBRN O=C(/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000035904219 527653191 /nfs/dbraw/zinc/65/31/91/527653191.db2.gz GZDUYTRYVKOIIC-DXDFYKGMSA-N 0 0 433.920 5.630 40 30 IKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@@]3(C)CC[C@@H]21 ZINC000010272337 555696864 /nfs/dbraw/zinc/69/68/64/555696864.db2.gz SDYMIDMUFXWPCF-WBXUZMBQSA-N 0 0 438.514 6.415 40 30 IKEBRN CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1Cl ZINC000001571713 555703731 /nfs/dbraw/zinc/70/37/31/555703731.db2.gz ZESURNSFEWJIMR-UHFFFAOYSA-N 0 0 439.210 7.998 40 30 IKEBRN N=C(Nc1cccc2ccccc21)SCCCSC(=N)Nc1cccc2ccccc21 ZINC000001668754 555708924 /nfs/dbraw/zinc/70/89/24/555708924.db2.gz VJUGJMXYRZJXSZ-UHFFFAOYSA-N 0 0 444.629 6.843 40 30 IKEBRN O=C1C(Cl)=C(Nc2ccccc2Cl)C(=O)C(Cl)=C1Nc1ccccc1Cl ZINC000001674601 555708945 /nfs/dbraw/zinc/70/89/45/555708945.db2.gz CIRMEUSNPBMFOU-UHFFFAOYSA-N 0 0 428.102 5.570 40 30 IKEBRN O=C1/C(=C\c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)N2CCC1CC2 ZINC000001688578 555709578 /nfs/dbraw/zinc/70/95/78/555709578.db2.gz RKAOPLBUCFQQNR-KOEQRZSOSA-N 0 0 425.528 5.480 40 30 IKEBRN Clc1cccc(Cl)c1/C=N/N1CCN(/N=C/c2c(Cl)cccc2Cl)CC1 ZINC000001700807 555709853 /nfs/dbraw/zinc/70/98/53/555709853.db2.gz FWAVDYMDHKDANB-ASIDMNOUSA-N 0 0 430.166 5.286 40 30 IKEBRN Clc1ccc(/C=N/N2CCN(/N=C/c3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000001700706 555709868 /nfs/dbraw/zinc/70/98/68/555709868.db2.gz WALVIZGMSHJSLH-ASIDMNOUSA-N 0 0 430.166 5.286 40 30 IKEBRN Cc1ccsc1/C=C1/S/C(=N\c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O ZINC000002141594 555748230 /nfs/dbraw/zinc/74/82/30/555748230.db2.gz QTMBFHSEKDXTSD-WNIMSWJZSA-N 0 0 443.597 6.385 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 ZINC000002562672 555787646 /nfs/dbraw/zinc/78/76/46/555787646.db2.gz NVFBLCBUSIGTCH-DKXZRHEOSA-N 0 0 444.637 5.681 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 ZINC000002562795 555787687 /nfs/dbraw/zinc/78/76/87/555787687.db2.gz LQBTZXLGHXAZEI-HZOVOTIMSA-N 0 0 442.621 5.601 40 30 IKEBRN CCCCCCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408539008 555790151 /nfs/dbraw/zinc/79/01/51/555790151.db2.gz DJEYGLOSKDODBN-HAVVHWLPSA-N 0 0 438.593 6.244 40 30 IKEBRN CCOC(=O)c1cccc(/N=C\c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)c1 ZINC000408544472 555792399 /nfs/dbraw/zinc/79/23/99/555792399.db2.gz WIVPAOAZHFKAFF-NTFVMDSBSA-N 0 0 440.499 5.404 40 30 IKEBRN COc1cc(C)c(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)cc1OC ZINC000408549112 555821651 /nfs/dbraw/zinc/82/16/51/555821651.db2.gz PHGKCBNHTDJZQN-MWUCKACSSA-N 0 0 445.544 5.211 40 30 IKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1CC ZINC000408560087 555899831 /nfs/dbraw/zinc/89/98/31/555899831.db2.gz AHLCCKDJHAFNCF-UHFFFAOYSA-N 0 0 429.417 5.849 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000408560077 555899882 /nfs/dbraw/zinc/89/98/82/555899882.db2.gz AFKIJFAQWOJBKH-UHFFFAOYSA-N 0 0 442.588 5.556 40 30 IKEBRN CCCCCCCc1nnc(SCC(=O)NC(c2ccccc2)c2ccccc2)n1C ZINC000408560398 555901105 /nfs/dbraw/zinc/90/11/05/555901105.db2.gz HODZJUJLFBCNIO-UHFFFAOYSA-N 0 0 436.625 5.326 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccccc1C ZINC000408561369 555903471 /nfs/dbraw/zinc/90/34/71/555903471.db2.gz IKQQUOPJDYEXCO-UHFFFAOYSA-N 0 0 428.561 5.247 40 30 IKEBRN O=[N+]([O-])c1ccc(COc2ccc(C=NNc3ccccc3)cc2Br)cc1 ZINC000408566212 555908773 /nfs/dbraw/zinc/90/87/73/555908773.db2.gz FGXSFASMVXHMCO-LPYMAVHISA-N 0 0 426.270 5.382 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccccc1F ZINC000035152311 555911346 /nfs/dbraw/zinc/91/13/46/555911346.db2.gz OADIPCDMIGAEJI-HZHRSRAPSA-N 0 0 448.519 5.695 40 30 IKEBRN C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)cc2)cc1Cl ZINC000408572400 555915910 /nfs/dbraw/zinc/91/59/10/555915910.db2.gz RARHHEQGVHJVHF-FQEVSTJZSA-N 0 0 444.944 5.212 40 30 IKEBRN C=CCOc1c(Br)cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1OCC ZINC000408565034 555918768 /nfs/dbraw/zinc/91/87/68/555918768.db2.gz BALIGVUZVIJGIL-QGZVFWFLSA-N 0 0 445.313 5.303 40 30 IKEBRN Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000408587908 555938235 /nfs/dbraw/zinc/93/82/35/555938235.db2.gz AMZXEVHJYSYLJG-AFUMVMLFSA-N 0 0 444.447 5.365 40 30 IKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1C#N ZINC000408588403 555939450 /nfs/dbraw/zinc/93/94/50/555939450.db2.gz BMNVWYCQEXPKKT-CCVNUDIWSA-N 0 0 431.879 5.222 40 30 IKEBRN Cc1ccc(COc2ccc(/C=N/OCc3ccccc3C#N)cc2Br)cc1 ZINC000408589572 555940814 /nfs/dbraw/zinc/94/08/14/555940814.db2.gz DUQCHPQGGFNDHA-VULFUBBASA-N 0 0 435.321 5.759 40 30 IKEBRN Cc1cccc(COc2ccc(/C=N/OCc3ccccc3C#N)cc2Br)c1 ZINC000408590108 555947401 /nfs/dbraw/zinc/94/74/01/555947401.db2.gz GCIUXYCXGNLYIS-VULFUBBASA-N 0 0 435.321 5.759 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@]23C)cc1 ZINC000003843632 555947710 /nfs/dbraw/zinc/94/77/10/555947710.db2.gz NVFBLCBUSIGTCH-DCFUYEGPSA-N 0 0 444.637 5.681 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000408593513 555959594 /nfs/dbraw/zinc/95/95/94/555959594.db2.gz AEYFAVNELSOZOV-LGJNPRDNSA-N 0 0 439.284 5.590 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OCC ZINC000408606666 555967078 /nfs/dbraw/zinc/96/70/78/555967078.db2.gz JQIKWXWXUMIHSL-UHFFFAOYSA-N 0 0 431.157 6.332 40 30 IKEBRN CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@H]5[C@H](C)[C@@H](O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 ZINC000004293644 555984025 /nfs/dbraw/zinc/98/40/25/555984025.db2.gz UUQHSDXEXFGEPZ-TZFZIGMVSA-N 0 0 430.717 7.380 40 30 IKEBRN O=C(/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1)c1ccccc1 ZINC000408624487 555993899 /nfs/dbraw/zinc/99/38/99/555993899.db2.gz UQLVNJGBNGIHAA-XYOKQWHBSA-N 0 0 438.277 5.832 40 30 IKEBRN CCN(CC)c1ccc(/C=N\N=c2\scc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 ZINC000004468157 555995800 /nfs/dbraw/zinc/99/58/00/555995800.db2.gz DODOYTAPFPQHDZ-BUHLTSIJSA-N 0 0 440.616 6.295 40 30 IKEBRN CN(CCN(C)/N=C\c1c(Cl)cccc1Cl)/N=C\c1c(Cl)cccc1Cl ZINC000004551930 556000787 /nfs/dbraw/zinc/00/07/87/556000787.db2.gz AIQURGZGERKJGO-CBSQCECLSA-N 0 0 432.182 5.532 40 30 IKEBRN CCN(CC)c1ccc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004622683 556004655 /nfs/dbraw/zinc/00/46/55/556004655.db2.gz JDOMHHJGEARESD-RUZDIDTESA-N 0 0 425.576 6.282 40 30 IKEBRN COC(=O)[C@H]1C2=C(C(=O)CC1(C)C)[C@H](c1ccc(C)cc1)c1c(ccc3ccccc31)N2 ZINC000004708002 556007327 /nfs/dbraw/zinc/00/73/27/556007327.db2.gz UTTGRLMJBOCISR-RCZVLFRGSA-N 0 0 425.528 5.748 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(-c2ccccc2)n1 ZINC000004913555 556020814 /nfs/dbraw/zinc/02/08/14/556020814.db2.gz JHWCRFGEAATSOO-FTIQDDARSA-N 0 0 431.645 7.426 40 30 IKEBRN C/C=C/[C@@H]1C(C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)=CC(C)=C2CC[C@@H](C)C[C@H]21 ZINC000514287866 556025304 /nfs/dbraw/zinc/02/53/04/556025304.db2.gz FCQPLAILVSLWDT-SQRFFALSSA-N 0 0 431.532 5.933 40 30 biogenic,in-vitro IKEBRN Cn1c2ccccc2nc1NN=Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1 ZINC000408656959 556037191 /nfs/dbraw/zinc/03/71/91/556037191.db2.gz MPLCSIGHORBVBU-DHRITJCHSA-N 0 0 425.319 5.905 40 30 IKEBRN COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)cc1 ZINC000408674476 556065485 /nfs/dbraw/zinc/06/54/85/556065485.db2.gz ZQGOKMKFUCQRMO-WUXMJOGZSA-N 0 0 448.316 5.804 40 30 IKEBRN O=C(Oc1ccc(Cl)cc1)N1C/C(=C\c2ccccc2)C(=O)/C(=C/c2ccccc2)C1 ZINC000005889706 556068496 /nfs/dbraw/zinc/06/84/96/556068496.db2.gz FNXCWBHQNWTCOR-YHARCJFQSA-N 0 0 429.903 5.891 40 30 IKEBRN C=CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1Br ZINC000035341045 556082851 /nfs/dbraw/zinc/08/28/51/556082851.db2.gz RWHBIKMSBDTRFG-UHFFFAOYSA-N 0 0 445.382 5.638 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(C=NNc3nc4ccccc4n3CC)c2C)c1 ZINC000408692044 556094049 /nfs/dbraw/zinc/09/40/49/556094049.db2.gz CBPKHYZTSXSOKL-WGOQTCKBSA-N 0 0 429.524 5.086 40 30 IKEBRN COc1ccc2ccccc2c1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000408718816 556138041 /nfs/dbraw/zinc/13/80/41/556138041.db2.gz MFSKISAKEQGRJT-ZCTHSVRISA-N 0 0 428.491 7.398 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3cccc(OC)c3O)sc2-c2ccc(OC)cc2)cc1 ZINC000408722482 556148976 /nfs/dbraw/zinc/14/89/76/556148976.db2.gz JKIGURPKWQKYGU-CVKSISIWSA-N 0 0 446.528 5.959 40 30 IKEBRN CCOc1cc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1O ZINC000408723680 556151015 /nfs/dbraw/zinc/15/10/15/556151015.db2.gz ZTJGVECCYFGBOV-CVKSISIWSA-N 0 0 434.948 6.985 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)cc(Br)c1O ZINC000408723893 556151245 /nfs/dbraw/zinc/15/12/45/556151245.db2.gz ZOLATXDBRLEKNL-LICLKQGHSA-N 0 0 447.354 5.062 40 30 IKEBRN O=C1NC(=Nc2ccccc2)SC1=CC1=CC(=NNc2cccc(Cl)c2)C=CC1=O ZINC000408726890 556156181 /nfs/dbraw/zinc/15/61/81/556156181.db2.gz VQMBINXBVHZJAW-GCXSCIGLSA-N 0 0 434.908 6.353 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 ZINC000008615978 556192634 /nfs/dbraw/zinc/19/26/34/556192634.db2.gz FKBGHOIYIHEXNW-LJXDPWEESA-N 0 0 426.578 5.331 40 30 IKEBRN COc1cc(OC)c(NC(=O)O/N=C(/c2ccccc2)[C@H](O)c2ccccc2)cc1Cl ZINC000008648949 556196597 /nfs/dbraw/zinc/19/65/97/556196597.db2.gz ATRLTKZSJCYHPY-GRKCXVTJSA-N 0 0 440.883 5.044 40 30 IKEBRN CCn1c2ccccc2c2cc(/C=N/N=C\c3ccc4c(c3)c3ccccc3n4CC)ccc21 ZINC000008659479 556197345 /nfs/dbraw/zinc/19/73/45/556197345.db2.gz KCJZDFJMCCVCNA-QXLZFTBOSA-N 0 0 442.566 7.395 40 30 IKEBRN O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000035646684 556204402 /nfs/dbraw/zinc/20/44/02/556204402.db2.gz KCQACIADWXEOEM-WQRHYEAKSA-N 0 0 425.853 5.400 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408739575 556210683 /nfs/dbraw/zinc/21/06/83/556210683.db2.gz XXNZHQRBHCJASD-XKZIYDEJSA-N 0 0 435.980 6.256 40 30 IKEBRN Brc1ccc(COc2ccccc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000008767966 556212626 /nfs/dbraw/zinc/21/26/26/556212626.db2.gz HMOHOKMTXDYJBL-YDZHTSKRSA-N 0 0 438.350 6.084 40 30 IKEBRN Cc1cc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 ZINC000408738797 556216451 /nfs/dbraw/zinc/21/64/51/556216451.db2.gz OWTWDXXGFVHNIC-SSDVNMTOSA-N 0 0 432.705 6.169 40 30 IKEBRN C=CCOc1ccccc1/C=C1\S/C(=N\c2cc(C(F)(F)F)ccc2Cl)NC1=O ZINC000008820744 556221077 /nfs/dbraw/zinc/22/10/77/556221077.db2.gz UXRLSGHYTGJOTO-YVLHZVERSA-N 0 0 438.858 5.815 40 30 IKEBRN Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(C)c(C)c4)NC3=O)cc2)cc1 ZINC000008820757 556221081 /nfs/dbraw/zinc/22/10/81/556221081.db2.gz JVZIUOHVRIPTAI-IWIPYMOSSA-N 0 0 428.557 6.082 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000008820937 556221370 /nfs/dbraw/zinc/22/13/70/556221370.db2.gz OUTNPUVGOKRQJM-VCHYOVAHSA-N 0 0 449.746 6.798 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)cc1C ZINC000008820788 556221373 /nfs/dbraw/zinc/22/13/73/556221373.db2.gz FKGFLQGVQTVBIJ-UCQKPKSFSA-N 0 0 448.975 6.427 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000008820938 556221397 /nfs/dbraw/zinc/22/13/97/556221397.db2.gz DCYFIYKQEWYGRX-VCHYOVAHSA-N 0 0 449.746 6.798 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008821068 556221602 /nfs/dbraw/zinc/22/16/02/556221602.db2.gz BLFNEYQQCHZYBP-VCHYOVAHSA-N 0 0 443.843 5.539 40 30 IKEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000008821080 556221669 /nfs/dbraw/zinc/22/16/69/556221669.db2.gz YEAHXUKRUHBOFV-DEDYPNTBSA-N 0 0 435.461 5.145 40 30 IKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C\c1ccc(Br)cc1 ZINC000008821168 556221915 /nfs/dbraw/zinc/22/19/15/556221915.db2.gz XNRCNWDESAKXNR-ZROIWOOFSA-N 0 0 438.144 5.103 40 30 IKEBRN O=C1N/C(=N/c2ccccc2Br)S/C1=C\c1cccc(Br)c1 ZINC000008821154 556221925 /nfs/dbraw/zinc/22/19/25/556221925.db2.gz HMYBBNURYPQFFN-ZROIWOOFSA-N 0 0 438.144 5.103 40 30 IKEBRN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 ZINC000008821134 556221940 /nfs/dbraw/zinc/22/19/40/556221940.db2.gz NHFCOYDGRJCCOD-NVNXTCNLSA-N 0 0 440.830 5.037 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 ZINC000008821229 556222203 /nfs/dbraw/zinc/22/22/03/556222203.db2.gz HJRPLBHIFZHDCS-LICLKQGHSA-N 0 0 449.746 6.798 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1cccc2ccccc12 ZINC000008821206 556222248 /nfs/dbraw/zinc/22/22/48/556222248.db2.gz PLWICSLOCJTYQT-VCHYOVAHSA-N 0 0 432.854 6.404 40 30 IKEBRN Clc1cccc(Cl)c1CN/N=C/c1ccccc1OCc1cccc2ccccc21 ZINC000009195005 556254488 /nfs/dbraw/zinc/25/44/88/556254488.db2.gz LKWSZQAJSKVDHG-RWPZCVJISA-N 0 0 435.354 6.849 40 30 IKEBRN COC(=O)c1cc(-c2ccc(/C=N/NCc3c(Cl)cccc3Cl)o2)ccc1Cl ZINC000009195590 556254505 /nfs/dbraw/zinc/25/45/05/556254505.db2.gz WHRSGWHWYQTLIN-YSURURNPSA-N 0 0 437.710 5.817 40 30 IKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(C)cc1 ZINC000009197373 556255655 /nfs/dbraw/zinc/25/56/55/556255655.db2.gz HRHYPSZYEFKUSC-MZJWZYIUSA-N 0 0 443.374 6.403 40 30 IKEBRN Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1Cc1cccc(C#N)c1 ZINC000009197842 556256214 /nfs/dbraw/zinc/25/62/14/556256214.db2.gz WFDFOPSIGBCZFB-IPPBACCNSA-N 0 0 447.369 6.300 40 30 IKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1ccc(C)c(Cl)c1 ZINC000009232232 556261700 /nfs/dbraw/zinc/26/17/00/556261700.db2.gz AZYMSBYDXMKOCV-UHFFFAOYSA-N 0 0 447.874 5.731 40 30 IKEBRN COc1ccc(-n2c(C)cc(C=NNc3ccc(I)cc3)c2C)cc1 ZINC000009262015 556269210 /nfs/dbraw/zinc/26/92/10/556269210.db2.gz ARXCTFJWNHEQNX-LPYMAVHISA-N 0 0 445.304 5.153 40 30 IKEBRN COc1ccc2oc(=O)c(-c3csc(N=NC(C)c4ccc(Cl)cc4)n3)cc2c1 ZINC000012042929 556391528 /nfs/dbraw/zinc/39/15/28/556391528.db2.gz ZYOFYAZAJNEZEJ-WYMPLXKRSA-N 0 0 425.897 5.415 40 30 IKEBRN COc1ccc(-c2csc(/N=C/c3c(O)ccc4ccccc43)n2)cc1Br ZINC000014406275 556415557 /nfs/dbraw/zinc/41/55/57/556415557.db2.gz ICLKMFPDRFYSQF-FOKLQQMPSA-N 0 0 439.334 6.191 40 30 IKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000408850037 556433065 /nfs/dbraw/zinc/43/30/65/556433065.db2.gz DHITYKOQNLJVGA-ROTLSHHCSA-N 0 0 444.318 6.543 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc2c(c1)-c1ccccc1C2 ZINC000039377191 556433883 /nfs/dbraw/zinc/43/38/83/556433883.db2.gz UJOANJUWHUYRPS-HKBQPEDESA-N 0 0 441.574 7.721 40 30 IKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1Cl ZINC000027902699 556434924 /nfs/dbraw/zinc/43/49/24/556434924.db2.gz CVFGSADKPZQOBC-CSKARUKUSA-N 0 0 429.539 6.064 40 30 IKEBRN CCOc1cc(C=NN2C(=S)N=NC2CC)ccc1OCc1cccc2ccccc21 ZINC000408852022 556435942 /nfs/dbraw/zinc/43/59/42/556435942.db2.gz PTKUAEDYPWOMHG-MFKUBSTISA-N 0 0 432.549 5.142 40 30 IKEBRN C/N=C1/S/C(=C\c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C(=O)N1C ZINC000408852955 556439770 /nfs/dbraw/zinc/43/97/70/556439770.db2.gz KDAUBMHQGSRBQR-FUYBOGSOSA-N 0 0 444.387 5.837 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c1C ZINC000408852431 556441975 /nfs/dbraw/zinc/44/19/75/556441975.db2.gz KUWOWQMCPVPRIP-HAHDFKILSA-N 0 0 429.589 6.165 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccccc2I)c1C ZINC000408854486 556443545 /nfs/dbraw/zinc/44/35/45/556443545.db2.gz GOPNIGAYMVYEBI-OYKKKHCWSA-N 0 0 442.344 6.320 40 30 IKEBRN CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408856215 556445541 /nfs/dbraw/zinc/44/55/41/556445541.db2.gz BLQZIHGQWUIYFT-GTVFRFDVSA-N 0 0 434.605 6.658 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)SC1=S ZINC000040006208 556445829 /nfs/dbraw/zinc/44/58/29/556445829.db2.gz WZKUWDSPMAERSL-DEDYPNTBSA-N 0 0 429.538 5.191 40 30 IKEBRN C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408857690 556446358 /nfs/dbraw/zinc/44/63/58/556446358.db2.gz PIQCRHKZSBAHEB-INCSMEFSSA-N 0 0 436.577 5.233 40 30 IKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)S1 ZINC000408857973 556446576 /nfs/dbraw/zinc/44/65/76/556446576.db2.gz OHNQMTBWUYFCQP-UYRXBGFRSA-N 0 0 438.350 5.440 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000408859810 556452753 /nfs/dbraw/zinc/45/27/53/556452753.db2.gz ZHTRPKFODQJXKI-MRUKODCESA-N 0 0 445.306 5.938 40 30 IKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccccc1 ZINC000408859937 556453025 /nfs/dbraw/zinc/45/30/25/556453025.db2.gz VVEMSJFVKIMMJX-GPXYMGDNSA-N 0 0 426.585 7.023 40 30 IKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 ZINC000408861199 556453955 /nfs/dbraw/zinc/45/39/55/556453955.db2.gz PHANRYGBNKQGAF-CFEYBBGKSA-N 0 0 445.415 7.176 40 30 IKEBRN COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2F)N(C2CCCCC2)C1=O ZINC000408860890 556455077 /nfs/dbraw/zinc/45/50/77/556455077.db2.gz HISIXBGNOODVMD-RQBVCSNNSA-N 0 0 444.959 6.424 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000408861857 556455421 /nfs/dbraw/zinc/45/54/21/556455421.db2.gz VARQKIGWLCKIEU-NDENLUEZSA-N 0 0 435.461 5.063 40 30 IKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3F)N(C3CCCCC3)C1=O)OCO2 ZINC000408862765 556456056 /nfs/dbraw/zinc/45/60/56/556456056.db2.gz IWQOJMFGAZSGOJ-WYSGOQDYSA-N 0 0 438.524 5.800 40 30 IKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 ZINC000408862689 556456077 /nfs/dbraw/zinc/45/60/77/556456077.db2.gz IMEJBWSBZWMHJA-CVSROLTNSA-N 0 0 431.561 5.772 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408863169 556456372 /nfs/dbraw/zinc/45/63/72/556456372.db2.gz PWKXHMHOJALKED-JAIQZWGSSA-N 0 0 436.468 5.033 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000408863354 556456732 /nfs/dbraw/zinc/45/67/32/556456732.db2.gz NMOCFWVDRNWPQF-NDENLUEZSA-N 0 0 435.461 5.063 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=Nc3ccccc3F)NC2=O)cc1Br ZINC000408866335 556458665 /nfs/dbraw/zinc/45/86/65/556458665.db2.gz HPEISWMSRXHJSN-BOPFTXTBSA-N 0 0 433.302 5.045 40 30 IKEBRN COc1ccccc1[C@H]1c2c(ccc3ncccc32)NC2=C1C(=O)C[C@H](c1ccccc1)C2 ZINC000014945039 556459877 /nfs/dbraw/zinc/45/98/77/556459877.db2.gz HTODOGDMKHAXPQ-GDJIYFAZSA-N 0 0 432.523 6.202 40 30 IKEBRN COc1ccccc1[C@@H]1c2c(ccc3ncccc32)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000014945044 556459933 /nfs/dbraw/zinc/45/99/33/556459933.db2.gz HTODOGDMKHAXPQ-HMILPKGGSA-N 0 0 432.523 6.202 40 30 IKEBRN Cc1c(/C=C2\SC(=Nc3ccccc3F)NC2=O)c2ccccc2n1Cc1ccccc1 ZINC000408872276 556463485 /nfs/dbraw/zinc/46/34/85/556463485.db2.gz CIAGSNRJRGJRMS-IWIPYMOSSA-N 0 0 441.531 6.029 40 30 IKEBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(C)ccc4OC)NC3=O)c2C)cc1 ZINC000408872156 556463518 /nfs/dbraw/zinc/46/35/18/556463518.db2.gz ADAOKAMHFASOKY-UCQKPKSFSA-N 0 0 447.560 5.311 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408875387 556465172 /nfs/dbraw/zinc/46/51/72/556465172.db2.gz FEZFXSGRGOFPQK-JAIQZWGSSA-N 0 0 425.916 5.778 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S1 ZINC000408875969 556465258 /nfs/dbraw/zinc/46/52/58/556465258.db2.gz IGRRFDDXCOIITP-MTJSOVHGSA-N 0 0 449.488 5.372 40 30 IKEBRN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1 ZINC000408875800 556465573 /nfs/dbraw/zinc/46/55/73/556465573.db2.gz HSSWTNQIVGYAOE-LBNOWXFCSA-N 0 0 436.577 5.887 40 30 IKEBRN COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000408875834 556465619 /nfs/dbraw/zinc/46/56/19/556465619.db2.gz LSLGYPKGWOLNMY-JAQKPBQMSA-N 0 0 440.996 6.531 40 30 IKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N\c1ccccc1 ZINC000408881189 556470656 /nfs/dbraw/zinc/47/06/56/556470656.db2.gz KEHGQGIJJVWENF-SUNGDTPNSA-N 0 0 431.561 5.772 40 30 IKEBRN CC(C)n1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000408886037 556474031 /nfs/dbraw/zinc/47/40/31/556474031.db2.gz CYGHECKHUCUEJQ-UHFFFAOYSA-N 0 0 430.592 6.195 40 30 IKEBRN C=CCn1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000408889734 556475667 /nfs/dbraw/zinc/47/56/67/556475667.db2.gz GNFMAXBDLWBHAU-UHFFFAOYSA-N 0 0 428.576 5.801 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2)cc1 ZINC000408890526 556476952 /nfs/dbraw/zinc/47/69/52/556476952.db2.gz VBVVWXINHICLCJ-ZMOGYAJESA-N 0 0 449.359 5.193 40 30 IKEBRN O=C1CCCC2=C1C(c1cn(Cc3ccccc3F)c3ccccc13)C1=C(CCCC1=O)N2 ZINC000408891842 556478292 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442.584 6.839 40 30 IKEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc2ccccc2c1 ZINC000408908332 556493727 /nfs/dbraw/zinc/49/37/27/556493727.db2.gz BTFAMWPGMKRNQN-QQXSKIMKSA-N 0 0 427.460 5.782 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)ccc2OCc2ccccc2)cc1 ZINC000408908301 556493750 /nfs/dbraw/zinc/49/37/50/556493750.db2.gz BMKMTJKVEHFOPK-XKZIYDEJSA-N 0 0 426.270 5.382 40 30 IKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccccc2OCC#N)S/C1=N\c1ccccc1 ZINC000408907418 556494456 /nfs/dbraw/zinc/49/44/56/556494456.db2.gz NJAYDHDPCPUUKW-HBPDIUARSA-N 0 0 439.540 5.954 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc32)S/C1=N\c1ccc(C)cc1 ZINC000408911023 556495467 /nfs/dbraw/zinc/49/54/67/556495467.db2.gz IOPZOXHWNSIZNV-AJGXWLHTSA-N 0 0 444.600 6.951 40 30 IKEBRN CCCN1C(=O)/C(=C\c2cccc(OC)c2OCC(C)C)S/C1=N\c1ccc(C)cc1 ZINC000408911149 556495769 /nfs/dbraw/zinc/49/57/69/556495769.db2.gz JBBYDSSVBSJRQX-JUMVDPBBSA-N 0 0 438.593 6.052 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c(C)c2)C(=O)N1C1CCCCC1 ZINC000408911083 556495820 /nfs/dbraw/zinc/49/58/20/556495820.db2.gz IVBKRFBQERVCKP-UINIZAEWSA-N 0 0 434.605 6.503 40 30 IKEBRN Cc1cccc(COc2ccc(C=NNc3ccc([N+](=O)[O-])cc3)cc2Br)c1 ZINC000408909222 556495833 /nfs/dbraw/zinc/49/58/33/556495833.db2.gz FSNBOUDYCHRSDV-QRVIBDJDSA-N 0 0 440.297 5.691 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)ccc1O ZINC000408911053 556495839 /nfs/dbraw/zinc/49/58/39/556495839.db2.gz YHXBVWDOWVHRGG-MGFZLMGHSA-N 0 0 444.556 6.156 40 30 IKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc3c(c2)OCO3)S/C1=N\c1ccccc1 ZINC000408909079 556495849 /nfs/dbraw/zinc/49/58/49/556495849.db2.gz GJPFGKZJKRXBPW-DMYYLQPXSA-N 0 0 428.513 5.781 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1ccccc1 ZINC000408911248 556495875 /nfs/dbraw/zinc/49/58/75/556495875.db2.gz MLIXTWCSRZJTRJ-NVZLDUMVSA-N 0 0 433.489 5.869 40 30 IKEBRN O=C1/C(=C\c2cc(Cl)ccc2O)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408909256 556496096 /nfs/dbraw/zinc/49/60/96/556496096.db2.gz 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ZINC000408911801 556498369 /nfs/dbraw/zinc/49/83/69/556498369.db2.gz KQOSQJSQIPHGAQ-OBUXZSPNSA-N 0 0 438.593 6.197 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N([C@H](C)CC)C1=O ZINC000408912530 556499279 /nfs/dbraw/zinc/49/92/79/556499279.db2.gz NKORXHPDVSCOJW-USOSDDPLSA-N 0 0 428.985 6.450 40 30 IKEBRN C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCCC)C2=O)c2ccccc21 ZINC000408913412 556499365 /nfs/dbraw/zinc/49/93/65/556499365.db2.gz QRJQXVNDGJFEMI-UINIZAEWSA-N 0 0 429.589 6.540 40 30 IKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000408913654 556499413 /nfs/dbraw/zinc/49/94/13/556499413.db2.gz MSZJRGXTORWKNG-UHFFFAOYSA-N 0 0 429.859 5.262 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)ccc1OCC(C)C ZINC000408914382 556499663 /nfs/dbraw/zinc/49/96/63/556499663.db2.gz USBMJMGDKHBEFQ-WRIATZMJSA-N 0 0 438.593 6.051 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408914369 556499686 /nfs/dbraw/zinc/49/96/86/556499686.db2.gz 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Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccco2)cc1 ZINC000030823021 556506764 /nfs/dbraw/zinc/50/67/64/556506764.db2.gz GSQCDUNITFNFSV-RUZDIDTESA-N 0 0 426.516 6.045 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@@H]2c1ccc(-c2ccccc2)cc1 ZINC000015305149 556517524 /nfs/dbraw/zinc/51/75/24/556517524.db2.gz GGEAHDKGRSYXTQ-MHZLTWQESA-N 0 0 430.551 7.102 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CCCC2 ZINC000408923992 556520821 /nfs/dbraw/zinc/52/08/21/556520821.db2.gz PNUUTMOSZDQXIJ-ZMFRSBBQSA-N 0 0 442.968 5.953 40 30 IKEBRN C/N=C1/S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C(=O)N1C ZINC000408929882 556523375 /nfs/dbraw/zinc/52/33/75/556523375.db2.gz PGQPORDLXZBVDT-SIDOVAFHSA-N 0 0 437.348 5.113 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)C(=O)N1CC ZINC000408930513 556523519 /nfs/dbraw/zinc/52/35/19/556523519.db2.gz XZWDNWOCJNAONI-LMDBJESCSA-N 0 0 432.387 5.169 40 30 IKEBRN C=CCn1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c2ccccc21 ZINC000408930164 556523580 /nfs/dbraw/zinc/52/35/80/556523580.db2.gz STAYRQGFLXTSNT-LPYMAVHISA-N 0 0 445.544 5.119 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C(=O)N1CC ZINC000408930580 556523888 /nfs/dbraw/zinc/52/38/88/556523888.db2.gz YZTALXRVMJHPNK-SGFRRPFJSA-N 0 0 448.947 5.379 40 30 IKEBRN O=[N+]([O-])c1cc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)c(Cl)cc1Cl ZINC000408931788 556525119 /nfs/dbraw/zinc/52/51/19/556525119.db2.gz QHFGFQKVXFKTGA-ZMOGYAJESA-N 0 0 446.290 5.749 40 30 IKEBRN Clc1cccc(CN=Nc2nnc(N=NCc3cccc(Cl)c3)c3ccccc32)c1 ZINC000031670021 556525544 /nfs/dbraw/zinc/52/55/44/556525544.db2.gz CYKZGUGAOIRLRS-WFBNZKAHSA-N 0 0 435.318 5.829 40 30 IKEBRN CC[C@@H]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc3c(C)ccc(C)c3c21 ZINC000031778254 556526297 /nfs/dbraw/zinc/52/62/97/556526297.db2.gz ZASYPLFQBLFUIG-ZCMXAENPSA-N 0 0 432.480 6.377 40 30 IKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408934345 556526875 /nfs/dbraw/zinc/52/68/75/556526875.db2.gz 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IKEBRN O=[N+]([O-])c1cc(/C=N\NC(=S)Nc2ccccc2)ccc1Sc1ccc(Cl)cc1 ZINC000032124797 556533654 /nfs/dbraw/zinc/53/36/54/556533654.db2.gz GXEJGLLYJRQONM-XKZIYDEJSA-N 0 0 442.953 5.720 40 30 IKEBRN O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000015579817 556535558 /nfs/dbraw/zinc/53/55/58/556535558.db2.gz VXVRYHUQXIGTMD-UHFFFAOYSA-N 0 0 447.310 5.485 40 30 IKEBRN COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408938088 556537513 /nfs/dbraw/zinc/53/75/13/556537513.db2.gz KJJBANPKBSNGBJ-CKOXOFLMSA-N 0 0 430.551 7.426 40 30 IKEBRN COCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)S/C1=N\c1ccc(OC)cc1 ZINC000408937516 556537522 /nfs/dbraw/zinc/53/75/22/556537522.db2.gz QXRDEJVFJFRPHZ-DZNDYGJHSA-N 0 0 444.556 5.613 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408940321 556538069 /nfs/dbraw/zinc/53/80/69/556538069.db2.gz NUUAYLBDFIVHFW-HVGHKUKKSA-N 0 0 434.539 6.284 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408940343 556538120 /nfs/dbraw/zinc/53/81/20/556538120.db2.gz NVOMMVBBNMJINM-BACCJKGJSA-N 0 0 438.958 6.929 40 30 IKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O ZINC000408940632 556540540 /nfs/dbraw/zinc/54/05/40/556540540.db2.gz OIIFMJABSPBYFX-GYWSPCNESA-N 0 0 444.962 7.021 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408943434 556540907 /nfs/dbraw/zinc/54/09/07/556540907.db2.gz SEZAGBIDIJUIIV-JAPQFDORSA-N 0 0 448.566 6.593 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408943441 556540986 /nfs/dbraw/zinc/54/09/86/556540986.db2.gz SEZAGBIDIJUIIV-UEWURZGNSA-N 0 0 448.566 6.593 40 30 IKEBRN O=C(NCCCC[C@@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 ZINC000032594718 556542112 /nfs/dbraw/zinc/54/21/12/556542112.db2.gz WDUYMQIMUDQAIO-GYRUEZOASA-N 0 0 443.572 5.423 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408946116 556546315 /nfs/dbraw/zinc/54/63/15/556546315.db2.gz XZFFVZAVOACMJF-VXNXWQJSSA-N 0 0 442.990 7.624 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408946049 556546399 /nfs/dbraw/zinc/54/63/99/556546399.db2.gz XZFFVZAVOACMJF-QXZZGPAYSA-N 0 0 442.990 7.624 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OCC)cc3)NC2=O)cc1Cl ZINC000408951715 556548882 /nfs/dbraw/zinc/54/88/82/556548882.db2.gz JVKUUZSNBMCWSQ-LDADJPATSA-N 0 0 447.343 5.296 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 ZINC000408953024 556549833 /nfs/dbraw/zinc/54/98/33/556549833.db2.gz NYPGNQHTWUKVFJ-LFVJCYFKSA-N 0 0 444.556 5.864 40 30 IKEBRN C=CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1OC ZINC000214841371 556551468 /nfs/dbraw/zinc/55/14/68/556551468.db2.gz DGCUBVGRMOFSDF-HZHRSRAPSA-N 0 0 431.513 5.650 40 30 IKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3c(C)cc(C)cc3C)N(C)C2=O)cc1 ZINC000408954689 556556774 /nfs/dbraw/zinc/55/67/74/556556774.db2.gz UNZQWWKPISPJPW-JXJWTFEASA-N 0 0 431.561 5.645 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(OC)cc4)c3C)S2)cc1 ZINC000408956020 556559984 /nfs/dbraw/zinc/55/99/84/556559984.db2.gz ZONYLELIBWBPRY-HZHRSRAPSA-N 0 0 447.560 5.393 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Cl)c1OC(C)C ZINC000408960329 556563141 /nfs/dbraw/zinc/56/31/41/556563141.db2.gz DXOMDOOCYTYDMP-XDHOZWIPSA-N 0 0 446.956 5.426 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(OC)c1O ZINC000408962309 556565023 /nfs/dbraw/zinc/56/50/23/556565023.db2.gz HANCAFVIRZHXCO-MHWRWJLKSA-N 0 0 435.332 5.328 40 30 IKEBRN C#CCOc1ccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OCC ZINC000408962883 556566561 /nfs/dbraw/zinc/56/65/61/556566561.db2.gz KXNZVJRECGVAPH-LDADJPATSA-N 0 0 447.343 5.296 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 ZINC000408962998 556567405 /nfs/dbraw/zinc/56/74/05/556567405.db2.gz WZYSSRZMQGPXOE-BUVRLJJBSA-N 0 0 429.589 6.418 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)S2)cc1 ZINC000408963112 556567825 /nfs/dbraw/zinc/56/78/25/556567825.db2.gz ACBGWOBMZLXGKH-HYARGMPZSA-N 0 0 434.492 5.305 40 30 IKEBRN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c1C ZINC000408963259 556568238 /nfs/dbraw/zinc/56/82/38/556568238.db2.gz YNXKEQAUROEOLO-HYARGMPZSA-N 0 0 445.544 5.081 40 30 IKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408964976 556571906 /nfs/dbraw/zinc/57/19/06/556571906.db2.gz JHRQJVSJPCQZJS-LDADJPATSA-N 0 0 431.414 5.527 40 30 IKEBRN CCOc1cc2c(cc1/C=C1/SC(=Nc3cccc(Cl)c3Cl)NC1=O)OCO2 ZINC000408967286 556576072 /nfs/dbraw/zinc/57/60/72/556576072.db2.gz UJVIZZUWRVHSKY-FRKPEAEDSA-N 0 0 437.304 5.012 40 30 IKEBRN COC(=O)c1cccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2C)c1 ZINC000408967591 556576391 /nfs/dbraw/zinc/57/63/91/556576391.db2.gz VZUKUTOMYCBSAI-HYARGMPZSA-N 0 0 445.544 5.081 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3c(C)cccc3C)N(C)C2=O)c1C ZINC000408967768 556576735 /nfs/dbraw/zinc/57/67/35/556576735.db2.gz RZMNMXDMIRIDSF-CLHPWSKPSA-N 0 0 443.616 6.507 40 30 IKEBRN COC(=O)c1ccc(-c2ccc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)o2)c(C)c1 ZINC000408966101 556578159 /nfs/dbraw/zinc/57/81/59/556578159.db2.gz MUHUQPFSPMHKBP-UDWIEESQSA-N 0 0 436.464 5.072 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4CC)c3C)S2)cc1 ZINC000408966229 556578915 /nfs/dbraw/zinc/57/89/15/556578915.db2.gz KQZYTMCJORQYQV-JLPGSUDCSA-N 0 0 445.588 5.947 40 30 IKEBRN CCCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408969564 556580362 /nfs/dbraw/zinc/58/03/62/556580362.db2.gz QDTIAROPQUNMSG-TURZUDJPSA-N 0 0 446.616 7.199 40 30 IKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c(OC)c1 ZINC000408969319 556580381 /nfs/dbraw/zinc/58/03/81/556580381.db2.gz LQLOPQGEPFUQOX-WPWMEQJKSA-N 0 0 448.588 6.427 40 30 IKEBRN N#Cc1ccc(COc2ccc(/C=C3\C(=O)N(c4ccccc4)N=C3C(F)(F)F)cc2)cc1 ZINC000408970065 556583870 /nfs/dbraw/zinc/58/38/70/556583870.db2.gz ZPTMWZQISBSDDN-HMAPJEAMSA-N 0 0 447.416 5.486 40 30 IKEBRN Cc1ccc(/N=C(\c2ccccc2)[C@@H]2SC(=N)N(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000034868430 556584581 /nfs/dbraw/zinc/58/45/81/556584581.db2.gz BJWFNANIWVLDLW-SDZCBURDSA-N 0 0 447.607 7.414 40 30 IKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1OC ZINC000408970150 556586579 /nfs/dbraw/zinc/58/65/79/556586579.db2.gz BRJZFDWCBVPUOS-WPWMEQJKSA-N 0 0 448.588 6.427 40 30 IKEBRN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1O ZINC000408970303 556587461 /nfs/dbraw/zinc/58/74/61/556587461.db2.gz FQESJWNJFDVZLO-WGOQTCKBSA-N 0 0 434.561 6.124 40 30 IKEBRN COc1cccc(/C=N/c2cccc(NC(=O)c3ccccc3Br)c2)c1O ZINC000016228161 556593319 /nfs/dbraw/zinc/59/33/19/556593319.db2.gz GYLHPQPEGLITIQ-YDZHTSKRSA-N 0 0 425.282 5.166 40 30 IKEBRN COc1ccc2nc(C=Cc3ccccc3)cc(NN=Cc3c(O)ccc4ccccc43)c2c1 ZINC000016227745 556593329 /nfs/dbraw/zinc/59/33/29/556593329.db2.gz ZSJJEMZWZZGXEN-PNVNKOADSA-N 0 0 445.522 6.719 40 30 IKEBRN COCc1cc(C)nc(N=NCc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1C#N ZINC000016267792 556595817 /nfs/dbraw/zinc/59/58/17/556595817.db2.gz MRJYEMLNNMJFNB-YPXUMCKCSA-N 0 0 448.832 5.786 40 30 IKEBRN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1Cl ZINC000016268166 556596008 /nfs/dbraw/zinc/59/60/08/556596008.db2.gz AZQHCAVBKVTHQL-SFHVURJKSA-N 0 0 429.734 6.863 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(O)cc1C ZINC000016282086 556596525 /nfs/dbraw/zinc/59/65/25/556596525.db2.gz DJRBWZBKMFPHCG-KEBDBYFISA-N 0 0 425.120 5.541 40 30 IKEBRN Cc1ccc(/N=C(\c2ccccc2)[C@H]2SC(=N)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000016291574 556597944 /nfs/dbraw/zinc/59/79/44/556597944.db2.gz BJWFNANIWVLDLW-KVSQZIOXSA-N 0 0 447.607 7.414 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1C=Nc1ccc(C(C)=O)cc1 ZINC000016321924 556600304 /nfs/dbraw/zinc/60/03/04/556600304.db2.gz LTQGDSXGVRPJHL-SRZZPIQSSA-N 0 0 437.131 5.730 40 30 IKEBRN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(CN=Nc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000016400365 556605494 /nfs/dbraw/zinc/60/54/94/556605494.db2.gz QPSNZUWFJPUUOP-OXUBWTJQSA-N 0 0 448.307 5.400 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000016401743 556606043 /nfs/dbraw/zinc/60/60/43/556606043.db2.gz OTMRTXZTKLMUNW-FMCGGJTJSA-N 0 0 444.260 5.521 40 30 IKEBRN O=c1[nH]c2ccc(/N=C/c3cc(Cl)cc(Cl)c3OCc3ccc(F)cc3)cc2[nH]1 ZINC000016401685 556606103 /nfs/dbraw/zinc/60/61/03/556606103.db2.gz JVWRYFUYKNOVAJ-KIBLKLHPSA-N 0 0 430.266 5.632 40 30 IKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 ZINC000016431017 556607505 /nfs/dbraw/zinc/60/75/05/556607505.db2.gz BUTAKHKIVPCEAZ-OAHLVZFQSA-N 0 0 438.739 6.300 40 30 IKEBRN CCOC(=O)c1c(/N=C/c2cc(OC)cc(Br)c2O)sc2c1CCCC2 ZINC000100944660 556615023 /nfs/dbraw/zinc/61/50/23/556615023.db2.gz VLGWIZKOGZUHCS-UFFVCSGVSA-N 0 0 438.343 5.031 40 30 IKEBRN CCOc1ccc(C(C)N=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 ZINC000408974696 556615262 /nfs/dbraw/zinc/61/52/62/556615262.db2.gz GXXKHHKYAGTVHB-ZTKZIYFRSA-N 0 0 441.600 7.329 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000408975438 556615683 /nfs/dbraw/zinc/61/56/83/556615683.db2.gz KHUWEIPCCWEHJL-MUUNZHRXSA-N 0 0 437.514 7.548 40 30 IKEBRN COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OC(C)C ZINC000016575669 556615781 /nfs/dbraw/zinc/61/57/81/556615781.db2.gz LHPMLCRUGATGCJ-UHFFFAOYSA-N 0 0 438.564 5.883 40 30 IKEBRN CC(C)OC(=O)c1ccc(-c2ccc(/C=N/c3sc4c(c3C(N)=O)CCCC4)o2)cc1 ZINC000016575531 556615833 /nfs/dbraw/zinc/61/58/33/556615833.db2.gz BBIJRHRKUUPSNE-LGJNPRDNSA-N 0 0 436.533 5.302 40 30 IKEBRN CCC(=O)Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)cc(Cl)c2O)cc1 ZINC000016609899 556617331 /nfs/dbraw/zinc/61/73/31/556617331.db2.gz KQIULRYTKVKQJB-VULFUBBASA-N 0 0 427.331 6.389 40 30 IKEBRN CCCCO[C@@H]1Oc2ccc(Cl)cc2C(=O)C1=CN=c1[nH]c2c(cccc2Cl)s1 ZINC000016639069 556619458 /nfs/dbraw/zinc/61/94/58/556619458.db2.gz SKSDCHASVYFOLE-ACQXMXPUSA-N 0 0 449.359 6.317 40 30 IKEBRN CCCCO[C@H]1Oc2ccc(Cl)cc2C(=O)C1=CN=c1[nH]c2c(cccc2Cl)s1 ZINC000016639070 556619478 /nfs/dbraw/zinc/61/94/78/556619478.db2.gz SKSDCHASVYFOLE-QKQONQEDSA-N 0 0 449.359 6.317 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224373775 556621579 /nfs/dbraw/zinc/62/15/79/556621579.db2.gz UNSIGNNHCFJVGH-UHFFFAOYSA-N 0 0 434.561 5.444 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2cccc3ccccc32)cc1)S(=O)(=O)c1ccccc1 ZINC000224370172 556622284 /nfs/dbraw/zinc/62/22/84/556622284.db2.gz DQFOMZIWKUPMSQ-UHFFFAOYSA-N 0 0 442.540 5.473 40 30 IKEBRN CCN(CC)c1ccc(/N=C2/c3nc4ccc(Cl)cc4n3N=C2c2ccccc2)c(C)c1 ZINC000016678176 556622923 /nfs/dbraw/zinc/62/29/23/556622923.db2.gz QVPACFWYTIIOIK-AZPGRJICSA-N 0 0 441.966 6.231 40 30 IKEBRN CCOc1cc(Cl)cc(/C=N/c2ccc(Cl)c(-c3nc4ccccc4s3)c2)c1O ZINC000016688207 556626025 /nfs/dbraw/zinc/62/60/25/556626025.db2.gz RGSCKZKPPSMLRB-BRJLIKDPSA-N 0 0 443.355 7.125 40 30 IKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(NC(C)=O)cc1 ZINC000016688059 556626102 /nfs/dbraw/zinc/62/61/02/556626102.db2.gz ZALKSRDRPINKRS-KEBDBYFISA-N 0 0 440.135 5.319 40 30 IKEBRN CCCCCCCCOc1ccc(/C=C2/C=C(c3cc(OC)ccc3OC)OC2=O)cc1 ZINC000408976753 556629765 /nfs/dbraw/zinc/62/97/65/556629765.db2.gz RZLLGWMROMXORG-FXBPSFAMSA-N 0 0 436.548 6.424 40 30 IKEBRN CCc1ccc2nc(SCC(=O)Nc3ccccc3Br)c(C#N)cc2c1 ZINC000013503470 556630080 /nfs/dbraw/zinc/63/00/80/556630080.db2.gz SJEOBWHXFWHXFK-UHFFFAOYSA-N 0 0 426.339 5.162 40 30 IKEBRN C=CCOc1ccc(CN=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 ZINC000408977372 556630155 /nfs/dbraw/zinc/63/01/55/556630155.db2.gz VQHPSHCYFBQKPH-MTDXEUNCSA-N 0 0 439.584 7.105 40 30 IKEBRN Cc1ccc(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C#N)c(Br)c1 ZINC000013503499 556631300 /nfs/dbraw/zinc/63/13/00/556631300.db2.gz SYDGALLKQGWWEG-UHFFFAOYSA-N 0 0 440.366 5.525 40 30 IKEBRN CCCCCCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408978624 556633623 /nfs/dbraw/zinc/63/36/23/556633623.db2.gz NGDKGNHWQSLAHV-UHFFFAOYSA-N 0 0 432.524 6.632 40 30 IKEBRN C=CCN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224624267 556638557 /nfs/dbraw/zinc/63/85/57/556638557.db2.gz FNYAKBMWAHISBW-UHFFFAOYSA-N 0 0 436.744 5.045 40 30 IKEBRN COc1ccc(OC(=O)N2C/C(=C/c3ccccc3)C(=O)/C(=C\c3ccccc3)C2)cc1 ZINC000016953469 556650127 /nfs/dbraw/zinc/65/01/27/556650127.db2.gz RTUXBVLRCHGASV-IDUDEYGOSA-N 0 0 425.484 5.246 40 30 IKEBRN CN(C)c1ccc(/C=N/c2ccc3c(c2)/C(=C/c2ccc(N(C)C)cc2)c2ccccc2-3)cc1 ZINC000016970136 556651431 /nfs/dbraw/zinc/65/14/31/556651431.db2.gz MRDRCYQHHJZNJG-MYZKGQCCSA-N 0 0 443.594 7.139 40 30 IKEBRN COc1ccc([C@@H](C#N)CC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000017022833 556653286 /nfs/dbraw/zinc/65/32/86/556653286.db2.gz RGXFXLCNAOBHLD-OAQYLSRUSA-N 0 0 431.488 5.172 40 30 IKEBRN N#Cc1c2c(sc1/N=C/c1ccccc1OCc1ccc(Cl)c(Cl)c1)CCCC2 ZINC000408982675 556661472 /nfs/dbraw/zinc/66/14/72/556661472.db2.gz JMGIPPVSNWYBJH-UVHMKAGCSA-N 0 0 441.383 7.135 40 30 IKEBRN CCOc1cc(/C=C2\CC/C(=C\c3cc(Cl)c(O)c(OCC)c3)C2=O)cc(Cl)c1O ZINC000013915531 556661782 /nfs/dbraw/zinc/66/17/82/556661782.db2.gz QQAKAVJMPISDNX-BGPOSVGRSA-N 0 0 449.330 6.032 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Br)S/C1=C\c1cc(Cl)ccc1O ZINC000013915109 556662123 /nfs/dbraw/zinc/66/21/23/556662123.db2.gz HGQKWBZYWULULP-NSIKDUERSA-N 0 0 444.137 5.353 40 30 IKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N/c4ccc(C)cc4)NC3=O)o2)cc1 ZINC000083262572 556662927 /nfs/dbraw/zinc/66/29/27/556662927.db2.gz JLYUOWYIFGZUEL-STZFKDTASA-N 0 0 432.501 5.323 40 30 IKEBRN Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)c1 ZINC000083316732 556663845 /nfs/dbraw/zinc/66/38/45/556663845.db2.gz OUSXNDNANFPUJF-MTJSOVHGSA-N 0 0 433.489 5.232 40 30 IKEBRN CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1 ZINC000083333316 556664041 /nfs/dbraw/zinc/66/40/41/556664041.db2.gz XUJPLNYHMYEWOT-SIDNSYPESA-N 0 0 433.621 6.470 40 30 IKEBRN Cc1ccc(-c2csc(N=NCc3cccc(OC(=O)c4cccc(Cl)c4)c3)n2)cc1 ZINC000408983208 556665330 /nfs/dbraw/zinc/66/53/30/556665330.db2.gz GEXQDEJKGKMVMW-VULFUBBASA-N 0 0 447.947 6.437 40 30 IKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1c(Cl)cccc1Cl ZINC000017107674 556667500 /nfs/dbraw/zinc/66/75/00/556667500.db2.gz RMSMBWQZZQVPFL-HKRLPXIPSA-N 0 0 444.233 8.752 40 30 IKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1ccc(Cl)cc1Cl ZINC000017106709 556667539 /nfs/dbraw/zinc/66/75/39/556667539.db2.gz OTRHENSUVFJNDC-BBLWWAFUSA-N 0 0 444.233 8.752 40 30 IKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1ccc(Cl)cc1Cl ZINC000017106711 556667569 /nfs/dbraw/zinc/66/75/69/556667569.db2.gz OTRHENSUVFJNDC-RXLQJOSGSA-N 0 0 444.233 8.752 40 30 IKEBRN CCn1c2ccccc2c2cc(/C=N\N=C/c3ccc4c(c3)c3ccccc3n4CC)ccc21 ZINC000017130494 556669132 /nfs/dbraw/zinc/66/91/32/556669132.db2.gz KCJZDFJMCCVCNA-CDSIFPFTSA-N 0 0 442.566 7.395 40 30 IKEBRN C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224964370 556669230 /nfs/dbraw/zinc/66/92/30/556669230.db2.gz KWYBFPFETLXTHV-UHFFFAOYSA-N 0 0 440.270 5.402 40 30 IKEBRN CC1N(/N=C/c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)N1/N=C\c1ccccc1 ZINC000017140774 556669697 /nfs/dbraw/zinc/66/96/97/556669697.db2.gz ZFJQYECGRCXXIO-XAYVLMAUSA-N 0 0 444.582 6.501 40 30 IKEBRN C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(SC)cc1 ZINC000224986162 556670408 /nfs/dbraw/zinc/67/04/08/556670408.db2.gz AOURLZNTNFWTHT-UHFFFAOYSA-N 0 0 425.575 5.369 40 30 IKEBRN Clc1ccc(/C(=N\c2ccccc2)[C@H](Nc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000017352827 556676067 /nfs/dbraw/zinc/67/60/67/556676067.db2.gz UWSHCXPHJCVWGB-PLBDZPIRSA-N 0 0 431.366 7.968 40 30 IKEBRN Clc1ccc(/C=N/N2CCN(/N=C\c3ccc(Cl)c(Cl)c3)CC2)cc1Cl ZINC000017422536 556677177 /nfs/dbraw/zinc/67/71/77/556677177.db2.gz WALVIZGMSHJSLH-QEUMEHMPSA-N 0 0 430.166 5.286 40 30 IKEBRN C(=N\N(Cc1ccccc1)CN(Cc1ccccc1)/N=C\c1ccccc1)\c1ccccc1 ZINC000017424909 556677462 /nfs/dbraw/zinc/67/74/62/556677462.db2.gz SFCSLWUSEWVDOK-XRGQFMHNSA-N 0 0 432.571 6.017 40 30 IKEBRN CSc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1 ZINC000408758998 556681634 /nfs/dbraw/zinc/68/16/34/556681634.db2.gz WGTWHFCYTSVTHO-YBEGLDIGSA-N 0 0 433.396 5.679 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(OC)cc4)NC3=O)c2C)cc1 ZINC000408758871 556681658 /nfs/dbraw/zinc/68/16/58/556681658.db2.gz SWXMIORJHQIOBU-HAHDFKILSA-N 0 0 431.561 5.557 40 30 IKEBRN C=CCOc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1 ZINC000225937471 556683432 /nfs/dbraw/zinc/68/34/32/556683432.db2.gz HTVUKNRSGIHAEA-UHFFFAOYSA-N 0 0 447.578 6.727 40 30 IKEBRN C=CCOc1ccc(NC(=O)C(CC=C)(c2ccccc2)c2ccccc2)c2ccccc12 ZINC000225935835 556683435 /nfs/dbraw/zinc/68/34/35/556683435.db2.gz DJGXITRCPLFMDG-UHFFFAOYSA-N 0 0 433.551 6.906 40 30 IKEBRN CCOc1cc(C#N)cc(I)c1OCc1cccc2ccccc21 ZINC000226324925 556684143 /nfs/dbraw/zinc/68/41/43/556684143.db2.gz BAEGJEIGRYIIBP-UHFFFAOYSA-N 0 0 429.257 5.294 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 ZINC000408759242 556685892 /nfs/dbraw/zinc/68/58/92/556685892.db2.gz ALEWHBDTBUHNJM-FYJGNVAPSA-N 0 0 433.489 5.617 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(OC)cc4)c3C)S2)cc1 ZINC000408759294 556686647 /nfs/dbraw/zinc/68/66/47/556686647.db2.gz BOIIKHNQGZXEAY-HAHDFKILSA-N 0 0 431.561 5.557 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)S2)cc1 ZINC000408759313 556686751 /nfs/dbraw/zinc/68/67/51/556686751.db2.gz CAYIEFOAOVWLFA-STZFKDTASA-N 0 0 448.931 5.759 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4)o3)S2)cc1 ZINC000408759575 556686956 /nfs/dbraw/zinc/68/69/56/556686956.db2.gz HIDUKSALEJZDOQ-STZFKDTASA-N 0 0 432.501 5.187 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2cccc(CN=Nc3nc(-c4ccccc4)cs3)c2)cc1 ZINC000408987899 556693282 /nfs/dbraw/zinc/69/32/82/556693282.db2.gz PHKBUXCWDRJAAA-BUVRLJJBSA-N 0 0 449.557 5.332 40 30 IKEBRN COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000000780226 556693524 /nfs/dbraw/zinc/69/35/24/556693524.db2.gz QAZFUNOTVQEZMS-UHFFFAOYSA-N 0 0 443.543 5.317 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Sc2ccccn2)o1 ZINC000408988106 556693515 /nfs/dbraw/zinc/69/35/15/556693515.db2.gz CPINNEDXJGVWHL-GDNBJRDFSA-N 0 0 448.356 6.024 40 30 IKEBRN CCOc1cc(Br)cc(/C=N/c2cccc(NC(=O)c3ccccc3)c2)c1O ZINC000000797377 556695845 /nfs/dbraw/zinc/69/58/45/556695845.db2.gz KIRJSPVKWJLZMK-ZVHZXABRSA-N 0 0 439.309 5.556 40 30 IKEBRN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000811244 556697963 /nfs/dbraw/zinc/69/79/63/556697963.db2.gz DAQQPSMGULWCMY-CYFREDJKSA-N 0 0 435.951 5.653 40 30 IKEBRN CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000811241 556698039 /nfs/dbraw/zinc/69/80/39/556698039.db2.gz DAQQPSMGULWCMY-DVECYGJZSA-N 0 0 435.951 5.653 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2nc(SCC(=O)Nc3cccc4ncccc43)c(C#N)cc2C1 ZINC000261526933 556698837 /nfs/dbraw/zinc/69/88/37/556698837.db2.gz QUJWGEPQYXRHIJ-GOSISDBHSA-N 0 0 430.577 5.383 40 30 IKEBRN C=C(C)C(=O)Oc1cccc(N2C(=O)c3c(c(Cl)c(Cl)c(Cl)c3Cl)C2=O)c1 ZINC000000824746 556699670 /nfs/dbraw/zinc/69/96/70/556699670.db2.gz UEZGRHMCGQHLPL-UHFFFAOYSA-N 0 0 445.085 5.582 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)S2)c(C)c1 ZINC000409003274 556712750 /nfs/dbraw/zinc/71/27/50/556712750.db2.gz ZCJGINODAWVXMC-STZFKDTASA-N 0 0 436.537 5.094 40 30 IKEBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)SC1=S ZINC000409005682 556713181 /nfs/dbraw/zinc/71/31/81/556713181.db2.gz JNFWGPUDEALRED-MFOYZWKCSA-N 0 0 449.384 5.665 40 30 IKEBRN COC(=O)c1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)o2)cc1 ZINC000409007591 556713835 /nfs/dbraw/zinc/71/38/35/556713835.db2.gz POFODUVTAZDBEG-BKUYFWCQSA-N 0 0 432.501 5.242 40 30 IKEBRN COc1cccc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c1OC(C)C ZINC000409008967 556714141 /nfs/dbraw/zinc/71/41/41/556714141.db2.gz ATNOGFRHEAOYAD-MFOYZWKCSA-N 0 0 437.348 5.681 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1Cl ZINC000409012554 556715831 /nfs/dbraw/zinc/71/58/31/556715831.db2.gz KFXHJSAUSCAKOR-YSOCZJRWSA-N 0 0 435.376 6.405 40 30 IKEBRN COc1cc(C=NNc2ccc3ccccc3n2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409012882 556715863 /nfs/dbraw/zinc/71/58/63/556715863.db2.gz LHVPRVITIQRBRY-YUMHPJSZSA-N 0 0 440.503 5.015 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(C)cc2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409014158 556716286 /nfs/dbraw/zinc/71/62/86/556716286.db2.gz FQPOHWCYNPJQTK-HQYQRZIKSA-N 0 0 435.774 6.035 40 30 IKEBRN CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019228281 556717400 /nfs/dbraw/zinc/71/74/00/556717400.db2.gz PTECIZRFUPKROG-VWLOTQADSA-N 0 0 444.575 5.100 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)cc1Cl ZINC000409014833 556717995 /nfs/dbraw/zinc/71/79/95/556717995.db2.gz QHJOSGYRMLNGQX-GJUHEBOISA-N 0 0 435.376 6.371 40 30 IKEBRN COc1cc(C=NNc2ccc3ccccc3n2)ccc1OCC(=O)Nc1ccccc1C ZINC000409015900 556719320 /nfs/dbraw/zinc/71/93/20/556719320.db2.gz CHHUUVDHRJRVTJ-JVWAILMASA-N 0 0 440.503 5.015 40 30 IKEBRN COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1O ZINC000000851456 556721985 /nfs/dbraw/zinc/72/19/85/556721985.db2.gz WXWJUPFMZBMIRT-VWLOTQADSA-N 0 0 444.487 5.772 40 30 IKEBRN CCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=Nc1ccc(Cl)cc1 ZINC000409019456 556722109 /nfs/dbraw/zinc/72/21/09/556722109.db2.gz ZDLVTVBDKXGDDL-GIFQUSADSA-N 0 0 430.957 5.760 40 30 IKEBRN CCOc1ccc(N=C2S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C(=O)N2CC)cc1 ZINC000409022092 556724400 /nfs/dbraw/zinc/72/44/00/556724400.db2.gz JGBDMOXSYAJOAJ-YOIRLTMBSA-N 0 0 443.528 5.841 40 30 IKEBRN C=CCc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccccc1 ZINC000409029716 556728117 /nfs/dbraw/zinc/72/81/17/556728117.db2.gz APXNWHSXZGSYNW-NVJOKUIPSA-N 0 0 434.355 5.708 40 30 IKEBRN CCn1c(C)c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cccc(C)c21 ZINC000409031634 556729810 /nfs/dbraw/zinc/72/98/10/556729810.db2.gz HTAAZQJHMWDQHC-IJFXDBOGSA-N 0 0 431.355 6.299 40 30 IKEBRN C=CCc1cc(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)ccc1OCC ZINC000409037267 556747177 /nfs/dbraw/zinc/74/71/77/556747177.db2.gz MKFPJSQBJXKZLG-GXDHUFHOSA-N 0 0 436.380 5.315 40 30 IKEBRN CC[C@@H](C)Oc1ccc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409038549 556748873 /nfs/dbraw/zinc/74/88/73/556748873.db2.gz PESCTAZZDVWRDW-FVYVAXIKSA-N 0 0 439.169 5.340 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1 ZINC000409041653 556749615 /nfs/dbraw/zinc/74/96/15/556749615.db2.gz AYAHXNYFBGJTBT-BHGWPJFGSA-N 0 0 435.694 6.885 40 30 IKEBRN COc1ccc([C@H](CC(=O)c2ccccc2)[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000001084380 556750140 /nfs/dbraw/zinc/75/01/40/556750140.db2.gz HPQCQYKQZYRGAA-XZOQPEGZSA-N 0 0 434.333 6.122 40 30 IKEBRN COc1ccc([C@@H](CC(=O)c2ccccc2)[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000001084377 556750160 /nfs/dbraw/zinc/75/01/60/556750160.db2.gz HPQCQYKQZYRGAA-PKTZIBPZSA-N 0 0 434.333 6.122 40 30 IKEBRN CCC1=C(CC)[C@@H](CC)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O ZINC000001108191 556750514 /nfs/dbraw/zinc/75/05/14/556750514.db2.gz BQIGNKOHMRZTIZ-UUOWRZLLSA-N 0 0 425.594 5.744 40 30 IKEBRN COC(=O)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000924067 556751626 /nfs/dbraw/zinc/75/16/26/556751626.db2.gz JOYACLAZUNGSGP-RUZDIDTESA-N 0 0 442.515 5.340 40 30 IKEBRN FC(F)(F)COc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409047990 556752800 /nfs/dbraw/zinc/75/28/00/556752800.db2.gz VMFNZEZGZLPNCW-FEDGQQDLSA-N 0 0 436.249 5.495 40 30 IKEBRN CCOc1c(Br)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000409048332 556753156 /nfs/dbraw/zinc/75/31/56/556753156.db2.gz SNHUHACTYWXLKO-GIJQJNRQSA-N 0 0 428.080 5.269 40 30 IKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(OCc2ccccc2)cc1 ZINC000409058902 556756530 /nfs/dbraw/zinc/75/65/30/556756530.db2.gz ZIDAGEFRDSXMNZ-WPWMEQJKSA-N 0 0 433.964 6.879 40 30 IKEBRN Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3C#N)C2=O)cc1 ZINC000409053577 556757532 /nfs/dbraw/zinc/75/75/32/556757532.db2.gz NBZQPFCGXMCRDM-OYKKKHCWSA-N 0 0 440.524 5.682 40 30 IKEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O ZINC000409052054 556757651 /nfs/dbraw/zinc/75/76/51/556757651.db2.gz PUBOULJTWWJGTP-UNOMPAQXSA-N 0 0 442.334 5.006 40 30 IKEBRN Cc1sc(N=NC(C)c2ccc(OC(=O)c3ccccc3)cc2)nc1-c1ccccc1 ZINC000409054889 556758246 /nfs/dbraw/zinc/75/82/46/556758246.db2.gz WEEHJTYZXBSDPO-WPWMEQJKSA-N 0 0 427.529 6.174 40 30 IKEBRN CCOC(=O)c1c(/N=C\c2cc([N+](=O)[O-])ccc2N2CCCC2)sc2c1CCCC2 ZINC000409063127 556759730 /nfs/dbraw/zinc/75/97/30/556759730.db2.gz HLOMSCOJYPMXJN-UCQKPKSFSA-N 0 0 427.526 5.063 40 30 IKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Oc2ccccc2)c1 ZINC000002280400 556760186 /nfs/dbraw/zinc/76/01/86/556760186.db2.gz WDDKZGKEVYQYHL-CFRMEGHHSA-N 0 0 441.343 6.215 40 30 IKEBRN O=[N+]([O-])c1cccnc1N=NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000409064107 556760231 /nfs/dbraw/zinc/76/02/31/556760231.db2.gz GFQGFAHJZQXNDA-OPEKNORGSA-N 0 0 440.290 5.746 40 30 IKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1cccc(Br)c1 ZINC000002327039 556760664 /nfs/dbraw/zinc/76/06/64/556760664.db2.gz VTNNTZKPGDKDRD-UWVJOHFNSA-N 0 0 428.142 5.185 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1c(C)cc(C)cc1C ZINC000409065280 556760880 /nfs/dbraw/zinc/76/08/80/556760880.db2.gz HHFDVQYBZGAIGA-KKMKTNMSSA-N 0 0 444.457 6.392 40 30 IKEBRN C=CCc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(OCC)c1OCCC ZINC000409065901 556761366 /nfs/dbraw/zinc/76/13/66/556761366.db2.gz KZERJMTXIVCLRH-UHFFFAOYSA-N 0 0 449.591 5.646 40 30 IKEBRN CC(C)(C)[C@H]1C[C@@H](C(C)(C)C)C2=C1OC(=O)[C@]1(C(=O)[C@H](C(C)(C)C)C[C@@H]1C(C)(C)C)C2=O ZINC000409066064 556761806 /nfs/dbraw/zinc/76/18/06/556761806.db2.gz VMDSRARXVSWQPD-RKUITRTASA-N 0 0 444.656 6.379 40 30 IKEBRN Fc1ccc(COc2ccc3ccccc3c2CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000409067723 556771994 /nfs/dbraw/zinc/77/19/94/556771994.db2.gz QYCFPEADTVDIKT-AMVVHIIESA-N 0 0 439.412 6.418 40 30 IKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409068238 556773598 /nfs/dbraw/zinc/77/35/98/556773598.db2.gz ICCICRVTSBZOGN-MFKUBSTISA-N 0 0 447.447 5.570 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O ZINC000409070182 556774296 /nfs/dbraw/zinc/77/42/96/556774296.db2.gz DTTTYOIXQRYNGU-DEDYPNTBSA-N 0 0 429.925 5.540 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409070588 556774515 /nfs/dbraw/zinc/77/45/15/556774515.db2.gz CKULWJUNCWDMIU-YBFXNURJSA-N 0 0 440.908 5.022 40 30 IKEBRN C=CCc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(OCC)c1OCC ZINC000409072802 556775785 /nfs/dbraw/zinc/77/57/85/556775785.db2.gz LDTMUHBKIXHDNJ-UHFFFAOYSA-N 0 0 449.591 5.646 40 30 IKEBRN C(=N/c1cc(-c2ccccc2)nn1-c1ccccc1)\c1cccc(OCc2ccccc2)c1 ZINC000409074884 556776467 /nfs/dbraw/zinc/77/64/67/556776467.db2.gz NSJDGWVBTVZLHV-MWAVMZGNSA-N 0 0 429.523 6.869 40 30 IKEBRN C=CCOc1c(Cl)cc(Cl)cc1/C=C1\C(=O)N(c2ccccc2)N=C1c1ccccc1 ZINC000409078059 556778511 /nfs/dbraw/zinc/77/85/11/556778511.db2.gz GRKQSOMXRGVSIQ-QNGOZBTKSA-N 0 0 449.337 6.393 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 ZINC000409078310 556779345 /nfs/dbraw/zinc/77/93/45/556779345.db2.gz HVQKCGJUHAAJSC-MSXFZWOLSA-N 0 0 431.326 6.065 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cccc(I)c3)sc2C1 ZINC000409078663 556782401 /nfs/dbraw/zinc/78/24/01/556782401.db2.gz HUFZSVQTRMLXSC-CHOFVFFHSA-N 0 0 448.373 6.126 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)n1-c1ccc(F)cc1 ZINC000409079374 556785354 /nfs/dbraw/zinc/78/53/54/556785354.db2.gz FPBYXHKQTOOMOG-XNGBXZAESA-N 0 0 433.596 7.068 40 30 IKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(Cl)c1OC(C)C ZINC000409079803 556787907 /nfs/dbraw/zinc/78/79/07/556787907.db2.gz MAGIQJUMXQYAQO-WMMPRDMWSA-N 0 0 445.028 6.971 40 30 IKEBRN Cc1c(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cccc1[N+](=O)[O-] ZINC000409080550 556789527 /nfs/dbraw/zinc/78/95/27/556789527.db2.gz LOTUWHBFVRXHTM-JZNDDVEWSA-N 0 0 447.560 6.998 40 30 IKEBRN C#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1Cl ZINC000409080628 556789550 /nfs/dbraw/zinc/78/95/50/556789550.db2.gz NKZUMYCKKTWMPT-ACWMPWAISA-N 0 0 444.943 6.161 40 30 IKEBRN CCCOc1ccccc1/C=C1/S/C(=N\Cc2ccccc2)N(Cc2ccccc2)C1=O ZINC000409084398 556790034 /nfs/dbraw/zinc/79/00/34/556790034.db2.gz XDGYYRDACPAQOV-AJGXWLHTSA-N 0 0 442.584 6.148 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc(OCC)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409083845 556790201 /nfs/dbraw/zinc/79/02/01/556790201.db2.gz UQBXMANLANDRFG-POHHJLCXSA-N 0 0 430.957 5.761 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C/c3ccco3)c2C(=O)Nc2ccc(Cl)cc2)C1 ZINC000409083560 556790265 /nfs/dbraw/zinc/79/02/65/556790265.db2.gz SWKBRAFWMVGMQR-IXORVSQSSA-N 0 0 440.996 7.148 40 30 IKEBRN CCOC(=O)c1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1 ZINC000409083484 556790270 /nfs/dbraw/zinc/79/02/70/556790270.db2.gz AVADMYHGWFSZLO-BRJLIKDPSA-N 0 0 447.369 5.496 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2C1 ZINC000409083632 556790317 /nfs/dbraw/zinc/79/03/17/556790317.db2.gz LEVJJMIOALJVEZ-JOBSNELWSA-N 0 0 433.533 6.690 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cc1 ZINC000409086350 556790704 /nfs/dbraw/zinc/79/07/04/556790704.db2.gz VGKDUVXWSVRYJA-VSWHYLHOSA-N 0 0 434.630 7.574 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cccn3-c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000409085080 556790753 /nfs/dbraw/zinc/79/07/53/556790753.db2.gz YHEUYEGJXXUGTC-WBILBPDKSA-N 0 0 432.549 6.220 40 30 IKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409085003 556790766 /nfs/dbraw/zinc/79/07/66/556790766.db2.gz YCKOQMPBSIOUIK-KXVDBBMMSA-N 0 0 437.008 7.743 40 30 IKEBRN CCCN1C(=O)/C(=C/c2cc3c(cc2OC)OCO3)S/C1=N/c1ccc(Cl)cc1 ZINC000409086704 556791003 /nfs/dbraw/zinc/79/10/03/556791003.db2.gz APAIUTGIFFMYCU-QPGSGLTOSA-N 0 0 430.913 5.091 40 30 IKEBRN COc1ccc(Br)cc1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409092539 556792780 /nfs/dbraw/zinc/79/27/80/556792780.db2.gz WXUBSSVCXRUJSZ-REMUQMNCSA-N 0 0 431.399 6.292 40 30 IKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409092343 556792991 /nfs/dbraw/zinc/79/29/91/556792991.db2.gz UUDKBUGORYEZSP-GRSHGNNSSA-N 0 0 446.330 6.016 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409092335 556793065 /nfs/dbraw/zinc/79/30/65/556793065.db2.gz UPVVBTNQPMSLPQ-MOSHPQCFSA-N 0 0 434.835 5.172 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(OCc2ccccc2F)cc1 ZINC000409092415 556793096 /nfs/dbraw/zinc/79/30/96/556793096.db2.gz XVINRELDZCKPTE-RPPGKUMJSA-N 0 0 433.361 5.778 40 30 IKEBRN C=CCc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(OC)c1OCc1ccc(C)cc1 ZINC000409094860 556793410 /nfs/dbraw/zinc/79/34/10/556793410.db2.gz GBDVDKLGYATKPV-CVKSISIWSA-N 0 0 432.480 5.060 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccccc2)C1=O ZINC000409095515 556794583 /nfs/dbraw/zinc/79/45/83/556794583.db2.gz IETQXHFPMRZQJP-WNOHRPASSA-N 0 0 448.975 6.543 40 30 IKEBRN N#Cc1ccccc1COc1ccccc1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409098368 556794793 /nfs/dbraw/zinc/79/47/93/556794793.db2.gz PRRINSSYMIJVKW-UVHMKAGCSA-N 0 0 440.381 5.510 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccccc1OCc1ccccc1Cl ZINC000409103867 556796147 /nfs/dbraw/zinc/79/61/47/556796147.db2.gz ZIPUDSCXDIJXGN-RPPGKUMJSA-N 0 0 449.816 6.292 40 30 IKEBRN FC(F)(F)c1ccc(N=NCc2cn(Cc3cccc4ccccc43)c3ccccc23)nc1 ZINC000409103783 556796162 /nfs/dbraw/zinc/79/61/62/556796162.db2.gz YTFYVXZTBDPWFN-XAZZYMPDSA-N 0 0 444.460 6.703 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O ZINC000409100158 556796440 /nfs/dbraw/zinc/79/64/40/556796440.db2.gz QGGVYOOXNGMSBN-WOJGMQOQSA-N 0 0 433.888 5.289 40 30 IKEBRN Cc1ccc(NN=C(C(=O)Nc2nc(-c3ccccc3)cs2)C(=O)c2ccccc2)cc1 ZINC000002075459 556798996 /nfs/dbraw/zinc/79/89/96/556798996.db2.gz JIJDHYAKFADMPE-QUPMIFSKSA-N 0 0 440.528 6.058 40 30 IKEBRN CC1(C)OC(c2ccccc2)=C/C(=C/C=N\c2ccc(Cl)cc2C(=O)c2ccccc2)O1 ZINC000002270215 556799705 /nfs/dbraw/zinc/79/97/05/556799705.db2.gz LRYWPGGNVAJLHF-CYICYEOYSA-N 0 0 443.930 6.981 40 30 IKEBRN CCOC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)c(C#N)c1-c1ccccc1 ZINC000409110409 556800458 /nfs/dbraw/zinc/80/04/58/556800458.db2.gz VWULZLPORBZAQG-UHFFFAOYSA-N 0 0 440.908 5.134 40 30 IKEBRN Clc1ccc(Sc2ccc(/C=N\c3cccc(I)c3)cc2)cc1 ZINC000409108654 556801222 /nfs/dbraw/zinc/80/12/22/556801222.db2.gz YAFJETLNXAPHTM-XKZIYDEJSA-N 0 0 449.744 6.846 40 30 IKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409112082 556802404 /nfs/dbraw/zinc/80/24/04/556802404.db2.gz BTGMFHAFIVRTPJ-UHFFFAOYSA-N 0 0 432.520 6.140 40 30 IKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OC)c1OCc1cccc2ccccc21 ZINC000409112788 556803161 /nfs/dbraw/zinc/80/31/61/556803161.db2.gz BYKWVGPYHMZTIO-UHFFFAOYSA-N 0 0 437.583 7.330 40 30 IKEBRN Cc1ccc([C@@]2(C(F)(F)F)NC(=O)N(c3ccccc3)C(=Nc3ccccc3)S2)cc1 ZINC000003203559 556804403 /nfs/dbraw/zinc/80/44/03/556804403.db2.gz XZHGCWUCZQEFOW-BFDKZUKCSA-N 0 0 441.478 6.565 40 30 IKEBRN COc1cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)ccc1OCc1ccccc1C#N ZINC000409114419 556804715 /nfs/dbraw/zinc/80/47/15/556804715.db2.gz HHBVQNGIRKWDCU-OYKKKHCWSA-N 0 0 438.527 5.689 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OCc1cccc2ccccc21 ZINC000409114524 556805306 /nfs/dbraw/zinc/80/53/06/556805306.db2.gz GVQACKIRTONOLQ-UHFFFAOYSA-N 0 0 437.583 7.385 40 30 IKEBRN CCCN1c2ccccc2/C(=C/c2ccc(OCc3ccccc3C#N)c(OCC)c2)C1=O ZINC000409115486 556807124 /nfs/dbraw/zinc/80/71/24/556807124.db2.gz MNEUXANFUZXPHK-JLPGSUDCSA-N 0 0 438.527 5.833 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1cc(Cl)ccc1C ZINC000409116986 556809434 /nfs/dbraw/zinc/80/94/34/556809434.db2.gz KIDACNONNXUOIF-UHFFFAOYSA-N 0 0 445.582 6.350 40 30 IKEBRN CCOC(=O)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C#N)c1-c1ccccc1 ZINC000409117669 556809948 /nfs/dbraw/zinc/80/99/48/556809948.db2.gz OMMIIPWELUTOJK-UHFFFAOYSA-N 0 0 434.561 5.618 40 30 IKEBRN CCOC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 ZINC000409118707 556811952 /nfs/dbraw/zinc/81/19/52/556811952.db2.gz PVKYMMSRGPADHQ-OYKKKHCWSA-N 0 0 440.908 6.327 40 30 IKEBRN C=CCc1cc(CNc2ccccc2C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119189 556812295 /nfs/dbraw/zinc/81/22/95/556812295.db2.gz RVIKSDYHIYPYHG-UHFFFAOYSA-N 0 0 432.520 6.222 40 30 IKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409119308 556812889 /nfs/dbraw/zinc/81/28/89/556812889.db2.gz STOITLNVEHXZMU-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1Br ZINC000409119524 556812896 /nfs/dbraw/zinc/81/28/96/556812896.db2.gz SSFYZVOXWXQNGE-UHFFFAOYSA-N 0 0 445.582 6.350 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1C ZINC000409121786 556815416 /nfs/dbraw/zinc/81/54/16/556815416.db2.gz WLNCILLROROKBJ-UHFFFAOYSA-N 0 0 425.164 6.005 40 30 IKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccccc1F ZINC000409121556 556815420 /nfs/dbraw/zinc/81/54/20/556815420.db2.gz XWXIKQBREGTADD-UHFFFAOYSA-N 0 0 439.958 7.106 40 30 IKEBRN C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1OCc1ccccc1F ZINC000409122036 556815889 /nfs/dbraw/zinc/81/58/89/556815889.db2.gz WTBSWQQCBOLDHG-UHFFFAOYSA-N 0 0 435.539 6.543 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(C3CCCCC3)cc2)nnc1-c1ccncc1 ZINC000006073562 556827993 /nfs/dbraw/zinc/82/79/93/556827993.db2.gz SVTPIGOIEHHZLH-UHFFFAOYSA-N 0 0 433.581 5.305 40 30 IKEBRN COC1=CC(=[NH+][N-]c2cccc(Cl)c2)C=C(C=Nc2cc(C(C)(C)C)ccc2O)C1=O ZINC000006075313 556828132 /nfs/dbraw/zinc/82/81/32/556828132.db2.gz XAFRXOBCIAAZJP-CULPDNDYSA-N 0 0 437.927 7.223 40 30 IKEBRN C=CCOc1c(I)cc(CNc2cccc(Cl)c2C)cc1OC ZINC000409125726 556829172 /nfs/dbraw/zinc/82/91/72/556829172.db2.gz AQRCOBIVPILPEH-UHFFFAOYSA-N 0 0 443.712 5.439 40 30 IKEBRN CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000006015684 556829263 /nfs/dbraw/zinc/82/92/63/556829263.db2.gz LIRXJRWOKNJMBE-WNSKOXEYSA-N 0 0 447.585 5.205 40 30 IKEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000006239690 556830595 /nfs/dbraw/zinc/83/05/95/556830595.db2.gz RSPYGRYDGWNACG-QHCPKHFHSA-N 0 0 447.918 5.170 40 30 IKEBRN CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(Cc3ccccc3Cl)c21 ZINC000409126239 556832359 /nfs/dbraw/zinc/83/23/59/556832359.db2.gz OEEREACYHNHSKW-UHFFFAOYSA-N 0 0 425.915 6.368 40 30 IKEBRN CC(C)c1nc2ccccc2c(=O)n1N=Cc1ccccc1OC(=O)c1ccc(Cl)cc1 ZINC000409126038 556832431 /nfs/dbraw/zinc/83/24/31/556832431.db2.gz AOIYUPUWOXGGAE-UHFFFAOYSA-N 0 0 445.906 5.275 40 30 IKEBRN O=C(/C=C/c1ccc([N+](=O)[O-])cc1)c1c(=O)[nH]c2ccc(Cl)cc2c1-c1ccccc1 ZINC000006446781 556833517 /nfs/dbraw/zinc/83/35/17/556833517.db2.gz CUJOTAGGSCRGOE-MDWZMJQESA-N 0 0 430.847 5.653 40 30 IKEBRN CCCOc1ccc(CN=Nc2cc(C)nc(-c3ccc(Br)cc3)n2)c(O)c1 ZINC000006500669 556834067 /nfs/dbraw/zinc/83/40/67/556834067.db2.gz HZCRIIWZMQNDPD-YDZHTSKRSA-N 0 0 441.329 5.155 40 30 IKEBRN C=CCN1C(=O)S/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C1=O ZINC000409127290 556836425 /nfs/dbraw/zinc/83/64/25/556836425.db2.gz PJNHHJKTOBFJEE-KQWNVCNZSA-N 0 0 432.545 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/nfs/dbraw/zinc/84/79/55/556847955.db2.gz QRXXOIROCGUOMW-YUMHPJSZSA-N 0 0 434.561 5.325 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(N=C3c4cc(Br)ccc4NC3=O)sc2C1 ZINC000409134382 556848028 /nfs/dbraw/zinc/84/80/28/556848028.db2.gz PAYDQAIBIRNDCS-LLVKDONJSA-N 0 0 442.382 5.606 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(N=C3c4cc(Br)ccc4NC3=O)sc2C1 ZINC000409134385 556848074 /nfs/dbraw/zinc/84/80/74/556848074.db2.gz PAYDQAIBIRNDCS-NSHDSACASA-N 0 0 442.382 5.606 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Br)c(C)c3)c2C)cc1 ZINC000408774690 556848352 /nfs/dbraw/zinc/84/83/52/556848352.db2.gz MVVFHFGDZXTBOD-AFUMVMLFSA-N 0 0 439.353 6.092 40 30 IKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1OC ZINC000408775658 556848648 /nfs/dbraw/zinc/84/86/48/556848648.db2.gz QYZQSZYOWPUPAM-QRQIAZFYSA-N 0 0 448.588 5.715 40 30 IKEBRN Cc1cc(/C=N\c2ccc(Cl)cc2)c(C)n1-c1ccc(I)cc1 ZINC000408777591 556848682 /nfs/dbraw/zinc/84/86/82/556848682.db2.gz CUBZFLVXJSYQAE-UUYOSTAYSA-N 0 0 434.708 6.103 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)S2)c(C)c1 ZINC000408775531 556848782 /nfs/dbraw/zinc/84/87/82/556848782.db2.gz HUSNVUUBJFQQDO-NDENLUEZSA-N 0 0 446.488 5.291 40 30 IKEBRN Cc1ccc(NC(=O)c2c(N=C3C(=O)Nc4ccc(Cl)cc43)sc3c2CCCC3)cc1 ZINC000409136854 556849750 /nfs/dbraw/zinc/84/97/50/556849750.db2.gz VDUDMEKYBFROSN-UHFFFAOYSA-N 0 0 449.963 5.914 40 30 IKEBRN Cc1cc(/C=N/c2ccc(C)c(Cl)c2)c(C)n1-c1ccc(I)cc1 ZINC000408777082 556850450 /nfs/dbraw/zinc/85/04/50/556850450.db2.gz UVJHMUMXRBXJFE-FSJBWODESA-N 0 0 448.735 6.411 40 30 IKEBRN Cc1cc(/C=N\c2ccc(C)cc2C)c(C)n1-c1ccc(I)c(C)c1 ZINC000408780556 556854519 /nfs/dbraw/zinc/85/45/19/556854519.db2.gz DNWFFFAVROZONP-CFRMEGHHSA-N 0 0 442.344 6.375 40 30 IKEBRN Cc1cc(/C=N/c2cc(Cl)ccc2C)c(C)n1-c1ccc(I)cc1 ZINC000408782086 556854751 /nfs/dbraw/zinc/85/47/51/556854751.db2.gz HAISATBPAQIXPH-FSJBWODESA-N 0 0 448.735 6.411 40 30 IKEBRN Cc1cc(/C=N\c2ccc(C)cc2Br)c(C)n1-c1ccc(Br)cc1 ZINC000408783322 556855369 /nfs/dbraw/zinc/85/53/69/556855369.db2.gz MRTPBKLRUAXLCA-FMCGGJTJSA-N 0 0 446.186 6.678 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1Cl ZINC000408784166 556855449 /nfs/dbraw/zinc/85/54/49/556855449.db2.gz TUZQWUKXMXPVJL-DBSKITMISA-N 0 0 426.969 6.285 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Nc4ccccc4)cc3)c2C)cc1 ZINC000408785240 556855489 /nfs/dbraw/zinc/85/54/89/556855489.db2.gz XJMLGQSIQJOCLS-VUTHCHCSSA-N 0 0 437.543 6.765 40 30 IKEBRN COc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C ZINC000408785938 556855824 /nfs/dbraw/zinc/85/58/24/556855824.db2.gz KDNJLPSBEGCCRY-YDZHTSKRSA-N 0 0 444.316 5.766 40 30 IKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2c1 ZINC000408786259 556856365 /nfs/dbraw/zinc/85/63/65/556856365.db2.gz NJWFVXLEQLDAAZ-HZHRSRAPSA-N 0 0 439.540 6.044 40 30 IKEBRN Cc1cc(/C=N\c2ccccc2I)c(C)n1-c1ccc(Cl)cc1 ZINC000408786962 556856703 /nfs/dbraw/zinc/85/67/03/556856703.db2.gz YRZWAGMFDUAFLA-UUYOSTAYSA-N 0 0 434.708 6.103 40 30 IKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408793587 556856914 /nfs/dbraw/zinc/85/69/14/556856914.db2.gz FTHCMEULKIIOIA-DEOSSOPVSA-N 0 0 438.527 5.144 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)Nc1ccccc1 ZINC000408798004 556857428 /nfs/dbraw/zinc/85/74/28/556857428.db2.gz DHAFOQREOUONIJ-WKIKZPBSSA-N 0 0 432.829 6.127 40 30 IKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408801547 556858659 /nfs/dbraw/zinc/85/86/59/556858659.db2.gz VOINNJQCDACYSI-MXAYSNPKSA-N 0 0 429.303 5.770 40 30 IKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2OCC#N)SC1Nc1ccccc1 ZINC000408805498 556860831 /nfs/dbraw/zinc/86/08/31/556860831.db2.gz KTPHKVGPVFQCBO-HUYCDOSRSA-N 0 0 432.569 5.643 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3Cl)NC2=O)cc1OCC ZINC000408806261 556861079 /nfs/dbraw/zinc/86/10/79/556861079.db2.gz AHPFHJCXZHLBTH-PDGQHHTCSA-N 0 0 447.343 5.296 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408808222 556861287 /nfs/dbraw/zinc/86/12/87/556861287.db2.gz FFQLWXAOEDZYGT-UNOMPAQXSA-N 0 0 444.350 5.423 40 30 IKEBRN CCOC(=O)Cn1c(C)c(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c2ccccc21 ZINC000408811942 556862664 /nfs/dbraw/zinc/86/26/64/556862664.db2.gz NDJVYOPWRGUZGA-XKZIYDEJSA-N 0 0 447.560 5.021 40 30 IKEBRN CCOC(=O)c1c(/N=C/c2cn(Cc3ccccc3)c3ccccc23)sc2c1CCCC2 ZINC000408815323 556863283 /nfs/dbraw/zinc/86/32/83/556863283.db2.gz JCBAIACWHJFXCM-LQKURTRISA-N 0 0 442.584 6.557 40 30 IKEBRN CCN(CC)c1ccc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)o1 ZINC000408816641 556864048 /nfs/dbraw/zinc/86/40/48/556864048.db2.gz UGWFVVVVGBZZKQ-FRJDLFPQSA-N 0 0 429.630 6.064 40 30 IKEBRN C#CCOc1ccc(Br)cc1/C=N/c1sc2c(c1C(=O)OCC)CCCC2 ZINC000408814664 556865251 /nfs/dbraw/zinc/86/52/51/556865251.db2.gz GHWJMSXBFJYYPQ-YDZHTSKRSA-N 0 0 446.366 5.329 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OCC ZINC000408814358 556865334 /nfs/dbraw/zinc/86/53/34/556865334.db2.gz GXGPRHKHRDGXAM-PDGQHHTCSA-N 0 0 447.343 5.296 40 30 IKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)c1 ZINC000408814922 556865612 /nfs/dbraw/zinc/86/56/12/556865612.db2.gz GUYKKEZDGAXVLN-MYYYXRDXSA-N 0 0 437.568 6.198 40 30 IKEBRN CCOC(=O)Cn1c(C)c(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c2ccccc21 ZINC000408820506 556866000 /nfs/dbraw/zinc/86/60/00/556866000.db2.gz YDVYFSIXVOYACZ-XKZIYDEJSA-N 0 0 447.560 5.021 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408820265 556866058 /nfs/dbraw/zinc/86/60/58/556866058.db2.gz WJFZMGWEEJAKNS-NHDPSOOVSA-N 0 0 439.943 6.087 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccccc2OCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000408820558 556866090 /nfs/dbraw/zinc/86/60/90/556866090.db2.gz WYSZUDCDYMZUMK-WSDLNYQXSA-N 0 0 426.816 5.181 40 30 IKEBRN Clc1ccc(Cn2cc(/C=N/N(c3ccccc3)c3ccccc3)c3ccccc32)cc1 ZINC000408821463 556866226 /nfs/dbraw/zinc/86/62/26/556866226.db2.gz HUOLWORMRHEODD-NDZAJKAJSA-N 0 0 435.958 7.515 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2cc(C)cc(C)c2)NC1=O ZINC000408821842 556866282 /nfs/dbraw/zinc/86/62/82/556866282.db2.gz KSNDKXWEMTZJNY-UNOMPAQXSA-N 0 0 443.366 5.522 40 30 IKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1Cl ZINC000408826633 556866470 /nfs/dbraw/zinc/86/64/70/556866470.db2.gz HVWSKWUZKKSYPB-ZMFRSBBQSA-N 0 0 442.968 5.953 40 30 IKEBRN N#CCOc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408847396 556869238 /nfs/dbraw/zinc/86/92/38/556869238.db2.gz UUTGHXXELVYRIZ-NDBUTJIBSA-N 0 0 435.524 5.665 40 30 IKEBRN CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 ZINC000408848577 556870191 /nfs/dbraw/zinc/87/01/91/556870191.db2.gz RCHGOPPYJBSCDM-YUMHPJSZSA-N 0 0 435.593 5.747 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000408858468 556871356 /nfs/dbraw/zinc/87/13/56/556871356.db2.gz SKLHHUMOFMMMLT-KFLOGIKRSA-N 0 0 443.572 5.553 40 30 IKEBRN CC/N=C1\S/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C(=O)N1CC ZINC000408854003 556871660 /nfs/dbraw/zinc/87/16/60/556871660.db2.gz VJIVFKLXZTZGBN-VHEDRBLESA-N 0 0 435.376 5.885 40 30 IKEBRN Clc1cccc(/N=C\c2cc(Br)c(I)o2)c1Cl ZINC000408855526 556871860 /nfs/dbraw/zinc/87/18/60/556871860.db2.gz FZJLQLKJSVEMDY-BNCCVWRVSA-N 0 0 444.881 5.704 40 30 IKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N\c1ccccc1 ZINC000408859794 556872281 /nfs/dbraw/zinc/87/22/81/556872281.db2.gz ZBMPVKPALAKNRM-UADPQNNISA-N 0 0 429.589 6.361 40 30 IKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)S1 ZINC000408860185 556872414 /nfs/dbraw/zinc/87/24/14/556872414.db2.gz WNZLZTNEKCCHFT-JMIUGGIZSA-N 0 0 430.957 5.681 40 30 IKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 ZINC000408861200 556872435 /nfs/dbraw/zinc/87/24/35/556872435.db2.gz PHANRYGBNKQGAF-CNJOZATKSA-N 0 0 445.415 7.176 40 30 IKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408862380 556872620 /nfs/dbraw/zinc/87/26/20/556872620.db2.gz YGXVCGZXJWSAEH-BKUYFWCQSA-N 0 0 449.463 5.205 40 30 IKEBRN Cc1c(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1C ZINC000408863438 556872638 /nfs/dbraw/zinc/87/26/38/556872638.db2.gz RTGAXBLSSKVTED-YCVUHLAASA-N 0 0 443.616 6.669 40 30 IKEBRN O=C1/C(=C/c2ccc(Cl)cc2Cl)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408863256 556872691 /nfs/dbraw/zinc/87/26/91/556872691.db2.gz LNOVJMZOCXXTMA-LUCNWFJPSA-N 0 0 449.378 7.069 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1O ZINC000408859240 556873137 /nfs/dbraw/zinc/87/31/37/556873137.db2.gz RGNFSMATMMBLFT-RRQWBNHBSA-N 0 0 436.577 5.974 40 30 IKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1OC ZINC000408865454 556873419 /nfs/dbraw/zinc/87/34/19/556873419.db2.gz ASYUCBFXRNCRTL-JJBLKGERSA-N 0 0 436.577 5.887 40 30 IKEBRN N#Cc1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 ZINC000409140469 556873599 /nfs/dbraw/zinc/87/35/99/556873599.db2.gz FKEOROLJBUXDGM-QFEZKATASA-N 0 0 449.535 5.798 40 30 IKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)c(C)n1-c1cc(C)c(Br)c(C)c1 ZINC000409143408 556873859 /nfs/dbraw/zinc/87/38/59/556873859.db2.gz MBODYVXTLUXKOE-UHFFFAOYSA-N 0 0 434.333 5.936 40 30 IKEBRN COc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc(Br)cc1 ZINC000409146570 556874593 /nfs/dbraw/zinc/87/45/93/556874593.db2.gz TYBUTDNOLOMEDE-BRJLIKDPSA-N 0 0 439.309 5.869 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000408872658 556875161 /nfs/dbraw/zinc/87/51/61/556875161.db2.gz NOYCHMQOMIINRW-MTJSOVHGSA-N 0 0 439.943 6.087 40 30 IKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408884381 556877791 /nfs/dbraw/zinc/87/77/91/556877791.db2.gz UHHVJWXDZIKZMG-GTVFRFDVSA-N 0 0 432.589 6.434 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O ZINC000409151936 556878323 /nfs/dbraw/zinc/87/83/23/556878323.db2.gz IEORBZFJQRDRMB-OEAKJJBVSA-N 0 0 426.497 5.374 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OC(=O)c1ccccc1 ZINC000408889709 556878791 /nfs/dbraw/zinc/87/87/91/556878791.db2.gz FZSVDFXPEZMZPW-JCMHNJIXSA-N 0 0 444.512 5.114 40 30 IKEBRN Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000408887009 556879330 /nfs/dbraw/zinc/87/93/30/556879330.db2.gz KXPPAYBVXAIFLD-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN Cc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N2C)cc1C ZINC000409155967 556879443 /nfs/dbraw/zinc/87/94/43/556879443.db2.gz SEZZTSNDSCIAGS-ZOSJBBHMSA-N 0 0 447.516 6.014 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O ZINC000409156774 556879910 /nfs/dbraw/zinc/87/99/10/556879910.db2.gz OIDDFQXXCALPCO-QRVIBDJDSA-N 0 0 444.487 5.513 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000408894926 556880575 /nfs/dbraw/zinc/88/05/75/556880575.db2.gz LCWFXURLFBKMNA-ZMOGYAJESA-N 0 0 449.359 5.193 40 30 IKEBRN COCCN1C2=C(C(=O)CCC2)C(c2cn(C(C)C)c3ccccc23)C2=C1CCCC2=O ZINC000408896005 556880891 /nfs/dbraw/zinc/88/08/91/556880891.db2.gz JCWPROSBVCIKHC-UHFFFAOYSA-N 0 0 432.564 5.282 40 30 IKEBRN COc1cc(C2C3=C(CCCC3=O)N(Cc3ccccc3)C3=C2C(=O)CCC3)ccc1O ZINC000408899350 556881961 /nfs/dbraw/zinc/88/19/61/556881961.db2.gz TYNAFUPRRQAWGB-UHFFFAOYSA-N 0 0 429.516 5.014 40 30 IKEBRN CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OCC ZINC000408899828 556882097 /nfs/dbraw/zinc/88/20/97/556882097.db2.gz WBNGXRXUKYLBND-UHFFFAOYSA-N 0 0 443.971 5.571 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(C)cc3)S2)cc1 ZINC000408900825 556882236 /nfs/dbraw/zinc/88/22/36/556882236.db2.gz XTPAGEFDHSKGGW-JCMHNJIXSA-N 0 0 444.512 5.114 40 30 IKEBRN Cc1ccc(Cn2cc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)c3ccccc32)cc1 ZINC000408900648 556882309 /nfs/dbraw/zinc/88/23/09/556882309.db2.gz ZIVZWLYAPTVQCV-UHFFFAOYSA-N 0 0 437.539 6.126 40 30 IKEBRN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2)C2=C1CC(C)(C)CC2=O ZINC000408898677 556883723 /nfs/dbraw/zinc/88/37/23/556883723.db2.gz RDHDQTYQOABPKU-UHFFFAOYSA-N 0 0 437.580 5.027 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1OC ZINC000408905446 556884222 /nfs/dbraw/zinc/88/42/22/556884222.db2.gz AHBYNBGTDVWLNC-UINIZAEWSA-N 0 0 444.556 5.898 40 30 IKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccccc1 ZINC000408906436 556884370 /nfs/dbraw/zinc/88/43/70/556884370.db2.gz BKZOOGXCULGDJE-VZEKXXQZSA-N 0 0 434.564 7.205 40 30 IKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c1 ZINC000408906093 556884399 /nfs/dbraw/zinc/88/43/99/556884399.db2.gz HJAVUPNZCICTAV-PEBOIGEYSA-N 0 0 428.557 6.451 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000408906346 556884429 /nfs/dbraw/zinc/88/44/29/556884429.db2.gz IMPKTQKIOPDKMA-LBMUFILHSA-N 0 0 445.500 5.408 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccccc2)N(C(C)C)C1=O ZINC000408906738 556884660 /nfs/dbraw/zinc/88/46/60/556884660.db2.gz DLNODSRRYBGXHY-UINIZAEWSA-N 0 0 430.573 6.641 40 30 IKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000408907104 556884705 /nfs/dbraw/zinc/88/47/05/556884705.db2.gz LWWZOPDRFZPECR-TWZDJBIOSA-N 0 0 440.568 6.617 40 30 IKEBRN Cc1cccc(COc2ccc(/C=C3/S/C(=N\c4ccccc4)N(C(C)C)C3=O)cc2)c1 ZINC000408907922 556886805 /nfs/dbraw/zinc/88/68/05/556886805.db2.gz QHRMRBKMFZJYCW-FUQOYWQNSA-N 0 0 442.584 6.586 40 30 IKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)cc1[N+](=O)[O-] ZINC000408908155 556886830 /nfs/dbraw/zinc/88/68/30/556886830.db2.gz BGKKNYFTZZBSHC-STBIYBPSSA-N 0 0 440.543 7.382 40 30 IKEBRN C#CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC ZINC000408909135 556886986 /nfs/dbraw/zinc/88/69/86/556886986.db2.gz GDIMIXGTAWYDCW-PKAZHMFMSA-N 0 0 444.556 5.650 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1[N+](=O)[O-] ZINC000408908951 556887025 /nfs/dbraw/zinc/88/70/25/556887025.db2.gz BCGALKIVVSBBQY-NNSJDREZSA-N 0 0 425.510 5.172 40 30 IKEBRN CC(C)N1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)cc2)S/C1=N\c1ccccc1 ZINC000408909469 556887294 /nfs/dbraw/zinc/88/72/94/556887294.db2.gz UMGLKVTVOXVXGM-DOGKOTLKSA-N 0 0 446.547 6.417 40 30 IKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912988 556887307 /nfs/dbraw/zinc/88/73/07/556887307.db2.gz OWRWSVMKUVGGRH-LEFCRYGDSA-N 0 0 438.593 6.193 40 30 IKEBRN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccccc1F ZINC000408909284 556887333 /nfs/dbraw/zinc/88/73/33/556887333.db2.gz GEQIGISTRDJFNQ-FDAWAROLSA-N 0 0 426.579 7.452 40 30 IKEBRN C=CCc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408909258 556887352 /nfs/dbraw/zinc/88/73/52/556887352.db2.gz FYGFBIMPZWQGDO-PKAZHMFMSA-N 0 0 445.519 6.055 40 30 IKEBRN CCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408909702 556887479 /nfs/dbraw/zinc/88/74/79/556887479.db2.gz DQLPYKVZNNOJBI-XFKFKZEQSA-N 0 0 430.957 5.767 40 30 IKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O ZINC000408909781 556887482 /nfs/dbraw/zinc/88/74/82/556887482.db2.gz IDPQKBXPEHEGKK-GJHWIIEUSA-N 0 0 428.557 5.932 40 30 IKEBRN CC(C)COc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000408909963 556887514 /nfs/dbraw/zinc/88/75/14/556887514.db2.gz FTVQAQPCPSBJBD-UINIZAEWSA-N 0 0 428.557 6.530 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OCC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408909691 556887536 /nfs/dbraw/zinc/88/75/36/556887536.db2.gz DPDOUUFTXQTTIA-SQJAOTTLSA-N 0 0 444.984 6.157 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000408909714 556887553 /nfs/dbraw/zinc/88/75/53/556887553.db2.gz IFFADTHLHCJLQK-UHFFFAOYSA-N 0 0 437.264 5.630 40 30 IKEBRN O=C(Cn1cc(C=NNc2ccc([N+](=O)[O-])cc2)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000408910456 556887765 /nfs/dbraw/zinc/88/77/65/556887765.db2.gz KIXYJRDQZCQHDI-MXAYSNPKSA-N 0 0 447.882 5.288 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C(=O)N2C(C)C)cc1 ZINC000408910524 556887806 /nfs/dbraw/zinc/88/78/06/556887806.db2.gz GZOVETAQFZLHQA-QMSJJHEMSA-N 0 0 447.516 6.176 40 30 IKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc1OC ZINC000408910236 556887811 /nfs/dbraw/zinc/88/78/11/556887811.db2.gz JBBNSPAKXJXAPI-OQNHBUHUSA-N 0 0 438.593 6.115 40 30 IKEBRN N#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408910495 556887815 /nfs/dbraw/zinc/88/78/15/556887815.db2.gz WWRWFRWXTFYCJU-ACWMPWAISA-N 0 0 425.513 5.393 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3Cl)C(=O)N2CCc2ccccc2)cc1 ZINC000408910201 556887823 /nfs/dbraw/zinc/88/78/23/556887823.db2.gz GFHHZEGTVVDCMQ-ACWMPWAISA-N 0 0 432.976 6.495 40 30 IKEBRN C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000408910875 556887965 /nfs/dbraw/zinc/88/79/65/556887965.db2.gz LRHBCMMAGQHWIB-UHFFFAOYSA-N 0 0 449.506 5.727 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1c(C)cccc1C ZINC000408910801 556887999 /nfs/dbraw/zinc/88/79/99/556887999.db2.gz LCJMBSHGTCMLOD-MDIFQPDJSA-N 0 0 447.516 6.096 40 30 IKEBRN Cc1ccc(Sc2oc(CN=Nc3ccc([N+](=O)[O-])cn3)cc2Br)cc1 ZINC000408911616 556888183 /nfs/dbraw/zinc/88/81/83/556888183.db2.gz OFOQRVAJJPJAHO-KEBDBYFISA-N 0 0 433.287 5.251 40 30 IKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408911587 556888225 /nfs/dbraw/zinc/88/82/25/556888225.db2.gz OCOFYYXHDFCFKN-UHFFFAOYSA-N 0 0 429.428 5.035 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S/C1=N\c1ccccc1 ZINC000408912133 556888518 /nfs/dbraw/zinc/88/85/18/556888518.db2.gz PCJCUCZIFGONAN-LBMUFILHSA-N 0 0 447.516 6.177 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)c2ccccc12 ZINC000408911743 556888539 /nfs/dbraw/zinc/88/85/39/556888539.db2.gz OGMCAFJHDLWCKB-YCJCGMCGSA-N 0 0 430.573 6.479 40 30 IKEBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)o1 ZINC000408913832 556889406 /nfs/dbraw/zinc/88/94/06/556889406.db2.gz RQDJDRSKNCXTJU-GRUKXCDCSA-N 0 0 449.488 5.406 40 30 IKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408914019 556889424 /nfs/dbraw/zinc/88/94/24/556889424.db2.gz SCFFIPWPFYORFM-AJGXWLHTSA-N 0 0 440.568 6.677 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2cc(Br)ccc2O)C(=O)N1CC ZINC000408914101 556889556 /nfs/dbraw/zinc/88/95/56/556889556.db2.gz SSVMJNLZGHESEV-FTIPTLOASA-N 0 0 431.355 5.341 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408914046 556889579 /nfs/dbraw/zinc/88/95/79/556889579.db2.gz SEVBAXFPYMTOEX-AJGXWLHTSA-N 0 0 442.584 6.588 40 30 IKEBRN CCOC(=O)c1cccc(/N=C\c2cc(Br)c(Sc3ccc(C)cc3)o2)c1 ZINC000408914371 556889589 /nfs/dbraw/zinc/88/95/89/556889589.db2.gz PNWDJGCKGKCYMV-QRVIBDJDSA-N 0 0 444.350 6.429 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1c(C)cccc1C ZINC000408914155 556889602 /nfs/dbraw/zinc/88/96/02/556889602.db2.gz VTLMLIXCHRDPBB-SLHJDRLVSA-N 0 0 431.355 5.395 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000408914213 556889635 /nfs/dbraw/zinc/88/96/35/556889635.db2.gz TXYDKBOPQGHLTI-BOSNEQTGSA-N 0 0 444.556 5.816 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CC ZINC000408914325 556889695 /nfs/dbraw/zinc/88/96/95/556889695.db2.gz UNMNNMOHFFNRGL-GCXIQGEKSA-N 0 0 436.964 6.786 40 30 IKEBRN N#CCOc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408915182 556890001 /nfs/dbraw/zinc/89/00/01/556890001.db2.gz PLTKNGSBWYQLAX-DICXZTSXSA-N 0 0 449.963 6.186 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408914991 556890087 /nfs/dbraw/zinc/89/00/87/556890087.db2.gz WNDDRGHJCCTVJV-KWPJTZOTSA-N 0 0 428.557 5.850 40 30 IKEBRN CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OC)c(OC)c2)C2=C1CCCC2=O ZINC000408919981 556890779 /nfs/dbraw/zinc/89/07/79/556890779.db2.gz GARCKLVOAVXSRJ-UHFFFAOYSA-N 0 0 429.944 5.181 40 30 IKEBRN COc1ccc(-c2oc(/N=C/c3ccc(O)c(O)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408918659 556891464 /nfs/dbraw/zinc/89/14/64/556891464.db2.gz NIDRKNQNYQRVDZ-RWPZCVJISA-N 0 0 440.455 5.664 40 30 IKEBRN C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4F)cc3)c2C)C(=O)N1C ZINC000408928668 556893449 /nfs/dbraw/zinc/89/34/49/556893449.db2.gz DBXKPEWVLCQMMO-YZFSDQBZSA-N 0 0 449.551 5.344 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)S/C1=N/c1ccccc1 ZINC000408929488 556893934 /nfs/dbraw/zinc/89/39/34/556893934.db2.gz KCNJRRNYXBFJJW-LEGXJBLQSA-N 0 0 447.560 5.126 40 30 IKEBRN CC/N=C1/S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1CC ZINC000408929968 556894073 /nfs/dbraw/zinc/89/40/73/556894073.db2.gz QESJZGCKAUUBQF-VBJFXANNSA-N 0 0 437.996 5.964 40 30 IKEBRN C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1C ZINC000408929896 556894103 /nfs/dbraw/zinc/89/41/03/556894103.db2.gz PKHZPFIXTCIMFQ-BLYKWHDGSA-N 0 0 425.312 5.243 40 30 IKEBRN C=CCc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408930280 556894108 /nfs/dbraw/zinc/89/41/08/556894108.db2.gz UXASHAINFMLECP-OYPKHVMMSA-N 0 0 442.968 5.188 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2ccc(OCC)c3ccccc23)S/C1=N/c1ccccc1 ZINC000408929987 556894132 /nfs/dbraw/zinc/89/41/32/556894132.db2.gz QMZMDFMEZCVOHP-BDMFQALQSA-N 0 0 446.572 5.879 40 30 IKEBRN Cc1c(/C=N/c2ccc(N3CCOCC3)cc2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408930972 556894522 /nfs/dbraw/zinc/89/45/22/556894522.db2.gz FNFCIOKLIPREGV-RDRPBHBLSA-N 0 0 443.978 6.239 40 30 IKEBRN O=C(COc1ccccc1C=NNc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1 ZINC000408933135 556894977 /nfs/dbraw/zinc/89/49/77/556894977.db2.gz HUTDGAWSNHXGHI-WKIKZPBSSA-N 0 0 431.389 5.308 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408933578 556895014 /nfs/dbraw/zinc/89/50/14/556895014.db2.gz AWQXCYDXPHSWOB-NXDGOGJJSA-N 0 0 438.571 7.061 40 30 IKEBRN COCCCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccccc1 ZINC000408932992 556895038 /nfs/dbraw/zinc/89/50/38/556895038.db2.gz GJAMEFOVUKWROW-JHRGVAJVSA-N 0 0 431.355 5.090 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)ccc2OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000408934443 556895314 /nfs/dbraw/zinc/89/53/14/556895314.db2.gz ASZGKTYUFJWRRZ-UUYOSTAYSA-N 0 0 426.816 5.181 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408936317 556895589 /nfs/dbraw/zinc/89/55/89/556895589.db2.gz FOUWXNZTJCULHE-PIHCHOLXSA-N 0 0 428.963 7.316 40 30 IKEBRN COc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000408936446 556895719 /nfs/dbraw/zinc/89/57/19/556895719.db2.gz GLCNFOKGDIWACL-VIZOYTHASA-N 0 0 436.689 5.006 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)ccc2OCc2cccc(F)c2)c([N+](=O)[O-])c1 ZINC000408935860 556895730 /nfs/dbraw/zinc/89/57/30/556895730.db2.gz DWIIXLUHLUWBTQ-KSEXSDGBSA-N 0 0 444.806 5.321 40 30 IKEBRN Cc1ccc(COc2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2Cl)cc1 ZINC000408935624 556895772 /nfs/dbraw/zinc/89/57/72/556895772.db2.gz DGDQGJBJTWUOBN-FMCGGJTJSA-N 0 0 440.843 5.490 40 30 IKEBRN CC/N=C1/S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C(=O)N1CC ZINC000408932602 556896185 /nfs/dbraw/zinc/89/61/85/556896185.db2.gz XZJKNDDHRCJQED-TZIVZOBOSA-N 0 0 445.382 5.340 40 30 IKEBRN COCCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccccc1 ZINC000408941360 556896650 /nfs/dbraw/zinc/89/66/50/556896650.db2.gz VQBJBTOZVDNWPE-WMOWQXFYSA-N 0 0 440.565 5.123 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)ccc2OCc2ccccc2F)c([N+](=O)[O-])c1 ZINC000408940520 556896702 /nfs/dbraw/zinc/89/67/02/556896702.db2.gz OCIUUFLGPJZAFI-KSEXSDGBSA-N 0 0 444.806 5.321 40 30 IKEBRN COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408938090 556897080 /nfs/dbraw/zinc/89/70/80/556897080.db2.gz KJJBANPKBSNGBJ-JBVRPXIZSA-N 0 0 430.551 7.426 40 30 IKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)ccc1OC ZINC000408938305 556897211 /nfs/dbraw/zinc/89/72/11/556897211.db2.gz PZYCHQHCNDJMLI-QFNSRWMKSA-N 0 0 438.571 6.979 40 30 IKEBRN CC1=NOC(=O)/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000408945950 556897306 /nfs/dbraw/zinc/89/73/06/556897306.db2.gz XTGYQRXZHKYUPE-VIZOYTHASA-N 0 0 441.108 5.651 40 30 IKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408945116 556897329 /nfs/dbraw/zinc/89/73/29/556897329.db2.gz VXQCNZLOLGWAFJ-ATZHYDLXSA-N 0 0 428.963 7.234 40 30 IKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408944177 556897464 /nfs/dbraw/zinc/89/74/64/556897464.db2.gz TWXSEAHYFCZLPF-NXDGOGJJSA-N 0 0 436.555 6.837 40 30 IKEBRN O=C(Oc1cccc(CN=Nc2nc(-c3ccc(F)cc3)cs2)c1)c1ccccc1F ZINC000408948580 556898673 /nfs/dbraw/zinc/89/86/73/556898673.db2.gz CWUUZHNAYUADQB-LGJNPRDNSA-N 0 0 435.455 5.754 40 30 IKEBRN CCOc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(OC)cc3)C(=O)N2C)cc1 ZINC000408953947 556898801 /nfs/dbraw/zinc/89/88/01/556898801.db2.gz QVFRALNZBUROBF-HNYZTYFESA-N 0 0 433.533 5.118 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(OCC)cc2)NC1=O ZINC000408954002 556898868 /nfs/dbraw/zinc/89/88/68/556898868.db2.gz RJOMDIPTQVNXTG-XQNSMLJCSA-N 0 0 428.513 5.142 40 30 IKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)S1 ZINC000408955593 556899271 /nfs/dbraw/zinc/89/92/71/556899271.db2.gz XUQAODJDNZSDKS-STZFKDTASA-N 0 0 436.968 5.397 40 30 IKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000408960641 556899286 /nfs/dbraw/zinc/89/92/86/556899286.db2.gz NKOMAWPOLBTVAV-PDGQHHTCSA-N 0 0 432.376 5.794 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1O[C@H](C)CC ZINC000408960673 556899509 /nfs/dbraw/zinc/89/95/09/556899509.db2.gz HSPACYTWEAJCOE-OOWUWCJESA-N 0 0 444.984 6.116 40 30 IKEBRN CCOc1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2CC)cc1 ZINC000408960809 556899573 /nfs/dbraw/zinc/89/95/73/556899573.db2.gz OGOXLNZPALQBGD-YJMOJNCUSA-N 0 0 435.593 5.700 40 30 IKEBRN Cc1cc(C)cc(N=C2S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2C)c1 ZINC000408959799 556899721 /nfs/dbraw/zinc/89/97/21/556899721.db2.gz GBRWBJOIFKJPQZ-ZYITZIQLSA-N 0 0 430.577 5.394 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1C[C@H]1CCCO1 ZINC000408959706 556899763 /nfs/dbraw/zinc/89/97/63/556899763.db2.gz DOIHWKCCKXMBMI-AHSHBFANSA-N 0 0 447.604 5.460 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c1C ZINC000408961024 556900748 /nfs/dbraw/zinc/90/07/48/556900748.db2.gz PVVPZIBXXSMKKS-ZCTHSVRISA-N 0 0 432.567 8.129 40 30 IKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccc3ccccc3c2)N(C)C1=O ZINC000408961069 556900757 /nfs/dbraw/zinc/90/07/57/556900757.db2.gz QRZXPWBKNCQJMG-SIFMURAYSA-N 0 0 427.573 5.982 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)S2)cc1 ZINC000408966595 556901779 /nfs/dbraw/zinc/90/17/79/556901779.db2.gz PISKXNAVZPFVFQ-WOJGMQOQSA-N 0 0 432.929 5.036 40 30 IKEBRN COc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br ZINC000408964913 556902327 /nfs/dbraw/zinc/90/23/27/556902327.db2.gz INLRWVCFRSLQNC-OQLLNIDSSA-N 0 0 437.746 5.311 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cccc(C)c3C)NC2=O)c1C ZINC000408965736 556902489 /nfs/dbraw/zinc/90/24/89/556902489.db2.gz IFAHDRHSSPKHCT-IWIPYMOSSA-N 0 0 429.589 6.165 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3)c2C)c1 ZINC000408965910 556902782 /nfs/dbraw/zinc/90/27/82/556902782.db2.gz JTRMNWXKCKEZIX-ZVHZXABRSA-N 0 0 425.326 5.784 40 30 IKEBRN CCCOc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 ZINC000408972175 556903022 /nfs/dbraw/zinc/90/30/22/556903022.db2.gz TXZPNUQLRNPKKQ-TURZUDJPSA-N 0 0 446.616 7.199 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)c1C ZINC000408967351 556903168 /nfs/dbraw/zinc/90/31/68/556903168.db2.gz QBJUNQVQIGMCMA-MWUCKACSSA-N 0 0 433.552 6.029 40 30 IKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(C2CCCCC2)c1 ZINC000408969276 556904006 /nfs/dbraw/zinc/90/40/06/556904006.db2.gz KLWVGMVPCDDQRF-JFLMPSFJSA-N 0 0 444.431 8.001 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(C(C)C)cc1)c1ccc(C)cc1 ZINC000408974014 556904932 /nfs/dbraw/zinc/90/49/32/556904932.db2.gz UOEDHGMEQQQKQC-BYLIZPFLSA-N 0 0 425.576 5.886 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccc4c(c3)OCO4)sc2-c2ccccc2)cc1C ZINC000408974365 556905207 /nfs/dbraw/zinc/90/52/07/556905207.db2.gz FIFRAKAVEUNJDV-VULFUBBASA-N 0 0 427.529 6.269 40 30 IKEBRN COc1ccc2ccccc2c1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408975383 556905644 /nfs/dbraw/zinc/90/56/44/556905644.db2.gz AWWCKUWCJUBIHS-OGLMXYFKSA-N 0 0 426.585 7.770 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccc(C(C)C)cc3)sc2-c2ccccc2)cc1C ZINC000408976556 556906197 /nfs/dbraw/zinc/90/61/97/556906197.db2.gz RKZZKPXYIFABLP-OGLMXYFKSA-N 0 0 425.601 7.663 40 30 IKEBRN Brc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 ZINC000408976996 556906479 /nfs/dbraw/zinc/90/64/79/556906479.db2.gz HMLAAYMTEBFUIU-ZVHZXABRSA-N 0 0 425.395 7.371 40 30 IKEBRN Cc1ccc([N+](=O)[O-])cc1/C=N/c1oc(-c2ccccc2)c(-c2ccc(Cl)cc2)c1C#N ZINC000408977145 556906515 /nfs/dbraw/zinc/90/65/15/556906515.db2.gz UPBSMYPPTHXMTE-RWPZCVJISA-N 0 0 441.874 7.106 40 30 IKEBRN C=CCN(C(=S)Oc1ccc(C(=O)Nc2ccc3nccnc3c2)cc1)c1ccccc1 ZINC000408977718 556906846 /nfs/dbraw/zinc/90/68/46/556906846.db2.gz XFSUKTQFWLRRQF-UHFFFAOYSA-N 0 0 440.528 5.238 40 30 IKEBRN COc1ccccc1C(C)N=Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1 ZINC000408978431 556906871 /nfs/dbraw/zinc/90/68/71/556906871.db2.gz ZVWVUQBUCWLJOD-TURZUDJPSA-N 0 0 427.573 6.939 40 30 IKEBRN Cc1ccc(-c2nc(N=NC(C)c3ccc(Cl)cc3)sc2-c2ccccc2)cc1C ZINC000408977509 556906874 /nfs/dbraw/zinc/90/68/74/556906874.db2.gz WBUAWJVXYLXEQD-MTDXEUNCSA-N 0 0 431.992 7.583 40 30 IKEBRN CCCCCCCCNC(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 ZINC000408978129 556907102 /nfs/dbraw/zinc/90/71/02/556907102.db2.gz YGBSOSLAFFRKEA-UHFFFAOYSA-N 0 0 435.549 5.187 40 30 IKEBRN CCCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000408988293 556910690 /nfs/dbraw/zinc/91/06/90/556910690.db2.gz RXFUJBYZQAIWTA-VEILYXNESA-N 0 0 432.589 6.096 40 30 IKEBRN Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000408992308 556911875 /nfs/dbraw/zinc/91/18/75/556911875.db2.gz RPBBVAQRUNOVPQ-AFPJDJCSSA-N 0 0 438.702 5.804 40 30 IKEBRN CCOc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCC(C)C ZINC000408993942 556913031 /nfs/dbraw/zinc/91/30/31/556913031.db2.gz XPIOMQKXCUXECV-MTJSOVHGSA-N 0 0 444.984 5.974 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCC)c3ccccc23)C1=O ZINC000408998213 556913548 /nfs/dbraw/zinc/91/35/48/556913548.db2.gz APNPCCCFWZSJBF-JWGURIENSA-N 0 0 445.540 5.782 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409000507 556914351 /nfs/dbraw/zinc/91/43/51/556914351.db2.gz YMIODNZDGHRYEW-MYKKPKGFSA-N 0 0 447.373 5.375 40 30 IKEBRN CC/N=C1\S/C(=C\c2cc(Br)c(Sc3ccccc3)o2)C(=O)N1CC ZINC000409002019 556914801 /nfs/dbraw/zinc/91/48/01/556914801.db2.gz LPCXEAPFVCVDBC-GZNJHTOZSA-N 0 0 437.384 5.505 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OC ZINC000409004914 556915348 /nfs/dbraw/zinc/91/53/48/556915348.db2.gz CEGZJVRZGFHWIY-RGEXLXHISA-N 0 0 429.925 5.192 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCC)cc2OCC)C1=O ZINC000409005377 556915681 /nfs/dbraw/zinc/91/56/81/556915681.db2.gz ZQQKEYKSKZFEKY-ZHZULCJRSA-N 0 0 439.533 5.028 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409005639 556915825 /nfs/dbraw/zinc/91/58/25/556915825.db2.gz FXSGAFHQJZITIW-JAIQZWGSSA-N 0 0 442.371 6.293 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)C(C(=O)OC)=C1C 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C#CCn1c(C)c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cccc(C)c21 ZINC000409036460 556928485 /nfs/dbraw/zinc/92/84/85/556928485.db2.gz RLRUEMNPLPJHPY-JNNAGZRYSA-N 0 0 441.350 5.913 40 30 IKEBRN O=C1CCCC2=C1C(c1cccc([N+](=O)[O-])c1)C1=C(CCCC1=O)N2Cc1ccccc1 ZINC000409036814 556928718 /nfs/dbraw/zinc/92/87/18/556928718.db2.gz RQLAQVLCLNCZTF-UHFFFAOYSA-N 0 0 428.488 5.208 40 30 IKEBRN COc1cccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c1OCc1ccc(F)cc1 ZINC000409043221 556929781 /nfs/dbraw/zinc/92/97/81/556929781.db2.gz YHROEXTXJBCIKO-OXUBWTJQSA-N 0 0 442.306 5.127 40 30 IKEBRN C#CCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 ZINC000409044870 556930323 /nfs/dbraw/zinc/93/03/23/556930323.db2.gz CYXAFTUXOMCWBP-UHFFFAOYSA-N 0 0 430.331 5.049 40 30 IKEBRN O=C(O/N=C(/Cc1ccccc1)c1cccs1)c1ccccc1I ZINC000409053095 556931284 /nfs/dbraw/zinc/93/12/84/556931284.db2.gz KLPDTZVVTCDLSF-FXBPSFAMSA-N 0 0 447.297 5.157 40 30 IKEBRN O=[N+]([O-])c1ccc(Cl)c(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c1 ZINC000409046879 556931552 /nfs/dbraw/zinc/93/15/52/556931552.db2.gz SDKDKDIOKXWNJC-OUBWWKSTSA-N 0 0 433.667 5.222 40 30 IKEBRN CCOc1cc(C=NN2C(=S)N=NC2c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000409059463 556936430 /nfs/dbraw/zinc/93/64/30/556936430.db2.gz RIQGVVIQCAIZSL-CVKSISIWSA-N 0 0 448.523 5.233 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Cl ZINC000409055168 556938512 /nfs/dbraw/zinc/93/85/12/556938512.db2.gz DCUGJIDMDVRZHA-YBEGLDIGSA-N 0 0 438.719 5.900 40 30 IKEBRN C=CCn1c(C)c(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c2ccccc21 ZINC000409055251 556938779 /nfs/dbraw/zinc/93/87/79/556938779.db2.gz YALXGVYKTBTQOE-JCMHNJIXSA-N 0 0 436.508 5.390 40 30 IKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(C)s2)ccc1OC(=O)c1ccco1 ZINC000409062248 556939885 /nfs/dbraw/zinc/93/98/85/556939885.db2.gz QQZYBDJGGLLTHW-ZVHZXABRSA-N 0 0 433.489 5.385 40 30 IKEBRN Cc1ccccc1NC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1 ZINC000409062913 556940301 /nfs/dbraw/zinc/94/03/01/556940301.db2.gz CUAJZIVVNWDSFQ-JFLMPSFJSA-N 0 0 429.545 5.575 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O ZINC000409064978 556941058 /nfs/dbraw/zinc/94/10/58/556941058.db2.gz JUZSZUMFAZJZFN-XDHOZWIPSA-N 0 0 444.350 5.559 40 30 IKEBRN CCOC(=O)c1c(/N=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)sc2c1CCCC2 ZINC000409065437 556941353 /nfs/dbraw/zinc/94/13/53/556941353.db2.gz SFSFEZWSROGQRS-JFLMPSFJSA-N 0 0 441.637 6.855 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1cccc(C)c1C ZINC000409065530 556941420 /nfs/dbraw/zinc/94/14/20/556941420.db2.gz JCWQCPOMYSYQDT-RPPGKUMJSA-N 0 0 430.430 6.084 40 30 IKEBRN CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CCc3ccccc3)C2=O)c1C ZINC000409068299 556942675 /nfs/dbraw/zinc/94/26/75/556942675.db2.gz AEFWIYBXVHTRRC-MMKHHPBPSA-N 0 0 429.589 5.972 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)cc1 ZINC000409075869 556943763 /nfs/dbraw/zinc/94/37/63/556943763.db2.gz YTFCPPAKNMUDJF-GATIEOLUSA-N 0 0 436.821 6.121 40 30 IKEBRN COc1ccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 ZINC000409070072 556944502 /nfs/dbraw/zinc/94/45/02/556944502.db2.gz XHZMHKXHKXIGHK-BRJLIKDPSA-N 0 0 432.402 5.476 40 30 IKEBRN C=CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OCC ZINC000409070224 556944588 /nfs/dbraw/zinc/94/45/88/556944588.db2.gz NNHGZOOZHZOYTQ-UHFFFAOYSA-N 0 0 447.575 5.422 40 30 IKEBRN O=C1CCCC2=C1C(c1cccc(OCc3ccccc3Cl)c1)C1=C(CCCC1=O)O2 ZINC000409071002 556945324 /nfs/dbraw/zinc/94/53/24/556945324.db2.gz PRPLJGWDSDYEFI-UHFFFAOYSA-N 0 0 434.919 6.047 40 30 IKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)S1 ZINC000409070916 556945341 /nfs/dbraw/zinc/94/53/41/556945341.db2.gz MJJQQNATKGEXDM-STZFKDTASA-N 0 0 436.989 6.691 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc4c(cc3Br)OCO4)sc2C1 ZINC000409081272 556947443 /nfs/dbraw/zinc/94/74/43/556947443.db2.gz KGDONHZMGVZKNB-OKYTWDAHSA-N 0 0 445.382 6.013 40 30 IKEBRN CC(C)COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1 ZINC000409080928 556947463 /nfs/dbraw/zinc/94/74/63/556947463.db2.gz OONLGLMIRIZKQT-MZJWZYIUSA-N 0 0 436.577 5.935 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409083088 556948111 /nfs/dbraw/zinc/94/81/11/556948111.db2.gz UQBKMZKWOSCYJC-ODLFYWEKSA-N 0 0 442.273 6.056 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2C1 ZINC000409083628 556948135 /nfs/dbraw/zinc/94/81/35/556948135.db2.gz LEVJJMIOALJVEZ-HEOQCTJZSA-N 0 0 433.533 6.690 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc(O)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409084118 556948419 /nfs/dbraw/zinc/94/84/19/556948419.db2.gz WOLRBIVNKHDQCH-ZQZJVFIWSA-N 0 0 432.589 6.608 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc(O)c3)c2C(=O)Nc2ccccc2)C1 ZINC000409084115 556948427 /nfs/dbraw/zinc/94/84/27/556948427.db2.gz WOLRBIVNKHDQCH-GEGDGZKASA-N 0 0 432.589 6.608 40 30 IKEBRN CCn1c2ccccc2c2cc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)ccc21 ZINC000409084107 556948436 /nfs/dbraw/zinc/94/84/36/556948436.db2.gz WNDJGTBTVFWPNS-WMMCOQJOSA-N 0 0 439.628 7.649 40 30 IKEBRN CC(C)CN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(Cl)cc1 ZINC000409078817 556949052 /nfs/dbraw/zinc/94/90/52/556949052.db2.gz JMJVEQNNOLWZPY-FCLJHQGSSA-N 0 0 439.795 6.907 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc(OCC)cc2OCC)S/C1=N/c1ccc(Cl)cc1 ZINC000409087169 556950692 /nfs/dbraw/zinc/95/06/92/556950692.db2.gz GRBXHFPRPQDQKA-SXZIKPQKSA-N 0 0 444.984 6.151 40 30 IKEBRN Cc1cc(N2CCOCC2)ccc1/C=N/c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409095549 556951343 /nfs/dbraw/zinc/95/13/43/556951343.db2.gz IHIYICYXIMGJMC-KOEQRZSOSA-N 0 0 433.533 5.642 40 30 IKEBRN COc1cc(C)c(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1C ZINC000409091169 556951843 /nfs/dbraw/zinc/95/18/43/556951843.db2.gz PXOWBBJAEUPXLJ-IKQKJRAVSA-N 0 0 428.985 6.225 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)S2)cc1 ZINC000409103608 556952100 /nfs/dbraw/zinc/95/21/00/556952100.db2.gz APMSBMYUZNGIQX-STZFKDTASA-N 0 0 436.989 6.691 40 30 IKEBRN Cc1ccc(COc2ccc(CN=Nc3ncccc3[N+](=O)[O-])cc2Br)cc1 ZINC000409097034 556953271 /nfs/dbraw/zinc/95/32/71/556953271.db2.gz LWQKLWLSEYHZRG-FSJBWODESA-N 0 0 441.285 5.086 40 30 IKEBRN Cc1ccc(Oc2ccc(/N=C/c3ccc(Sc4ccc(Cl)cc4)cc3)cc2)cc1 ZINC000409098007 556953792 /nfs/dbraw/zinc/95/37/92/556953792.db2.gz OPDGTLAFVWHUGT-MTDXEUNCSA-N 0 0 429.972 8.343 40 30 IKEBRN COC(=O)c1ccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cn3)c2C)c(C)c1 ZINC000409101144 556955515 /nfs/dbraw/zinc/95/55/15/556955515.db2.gz VWSPHMUAXZDSJG-LUOAPIJWSA-N 0 0 430.430 5.049 40 30 IKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OC(C)C ZINC000409101417 556955735 /nfs/dbraw/zinc/95/57/35/556955735.db2.gz TWXYYGYCMXKPGE-YSURURNPSA-N 0 0 445.825 5.899 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409101175 556955825 /nfs/dbraw/zinc/95/58/25/556955825.db2.gz WCPATFDYOQORSF-DEDYPNTBSA-N 0 0 443.952 5.712 40 30 IKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1C#N ZINC000409102580 556956234 /nfs/dbraw/zinc/95/62/34/556956234.db2.gz BDSVTHQYGGIINA-VFLNYLIXSA-N 0 0 440.425 5.396 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccccc1Cl ZINC000409109368 556956874 /nfs/dbraw/zinc/95/68/74/556956874.db2.gz CHEFTWJNEWLSTE-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(C)c1 ZINC000409109732 556957176 /nfs/dbraw/zinc/95/71/76/556957176.db2.gz KBHJCPVYWWEPIZ-UHFFFAOYSA-N 0 0 425.164 6.005 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccccc1Cl ZINC000409110770 556957626 /nfs/dbraw/zinc/95/76/26/556957626.db2.gz YJYWGBMVGLAJMW-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc32)C1=O ZINC000409106492 556958874 /nfs/dbraw/zinc/95/88/74/556958874.db2.gz SBMVDGQWQIXMRB-HYARGMPZSA-N 0 0 446.484 5.549 40 30 IKEBRN O=[N+]([O-])c1cc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cn3)o2)c(Cl)cc1Cl ZINC000409108866 556959800 /nfs/dbraw/zinc/95/98/00/556959800.db2.gz YMXNXVIMZPYDMB-KTZMUZOWSA-N 0 0 445.184 6.021 40 30 IKEBRN C=CCOc1c(Br)cc(/C=C2\C(=O)Nc3ccccc32)cc1Br ZINC000409117599 556960348 /nfs/dbraw/zinc/96/03/48/556960348.db2.gz OCIHMWJHRCLIKQ-JYRVWZFOSA-N 0 0 435.115 5.269 40 30 IKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1ccccc1Cl ZINC000409117419 556960411 /nfs/dbraw/zinc/96/04/11/556960411.db2.gz NLYQYWDXKQUETO-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118494 556960702 /nfs/dbraw/zinc/96/07/02/556960702.db2.gz QPAVUGCBNSIFQQ-UHFFFAOYSA-N 0 0 432.520 6.140 40 30 IKEBRN O=C1Nc2ccc(Cl)cc2/C1=C1/S/C(=N/c2ccccc2)N(C2CCCCC2)C1=O ZINC000409119172 556960897 /nfs/dbraw/zinc/96/08/97/556960897.db2.gz RQCDLQGJGBCGQQ-JDQBESMRSA-N 0 0 437.952 5.599 40 30 IKEBRN C#CCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1Br ZINC000409115877 556962888 /nfs/dbraw/zinc/96/28/88/556962888.db2.gz LIAMMBYJXAYLBW-UHFFFAOYSA-N 0 0 443.566 5.798 40 30 IKEBRN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 ZINC000409115509 556962947 /nfs/dbraw/zinc/96/29/47/556962947.db2.gz RXNQRNBZFLEEPL-UHFFFAOYSA-N 0 0 436.964 5.800 40 30 IKEBRN O=C(N=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1)c1ccc(Cl)cc1 ZINC000409131345 556963196 /nfs/dbraw/zinc/96/31/96/556963196.db2.gz IRPUGQBDKKNUBK-STZFKDTASA-N 0 0 448.931 5.319 40 30 IKEBRN O=C(N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1)c1ccc(Cl)cc1 ZINC000409125300 556964902 /nfs/dbraw/zinc/96/49/02/556964902.db2.gz LSJAFQDGYSIIBP-STZFKDTASA-N 0 0 448.931 5.319 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1Br ZINC000409129394 556967029 /nfs/dbraw/zinc/96/70/29/556967029.db2.gz GLQWUYWCIFAFBG-UHFFFAOYSA-N 0 0 427.136 5.397 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2c[nH]c3c2cccc3CC)C1=O ZINC000409136830 556970000 /nfs/dbraw/zinc/97/00/00/556970000.db2.gz VUVSZZBMUDNFOG-MOSHPQCFSA-N 0 0 448.544 5.283 40 30 IKEBRN COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccc(Cl)cc1Cl)CC2 ZINC000409149408 556974441 /nfs/dbraw/zinc/97/44/41/556974441.db2.gz FLQFOVMVWQKDGY-KGENOOAVSA-N 0 0 429.097 5.272 40 30 IKEBRN CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2cccnc2)CCCC3)cc1Cl ZINC000409143549 556975492 /nfs/dbraw/zinc/97/54/92/556975492.db2.gz FTGBCAWVVCUIRG-LGJNPRDNSA-N 0 0 439.968 6.077 40 30 IKEBRN COC(=O)c1ccc(/N=C2/S/C(=C/c3cn(C(C)C)c4ccccc34)C(=O)N2C)cc1 ZINC000409161148 556975501 /nfs/dbraw/zinc/97/55/01/556975501.db2.gz YVTHDANOLJKQIS-LSRULMOLSA-N 0 0 433.533 5.243 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1Cc1ccccc1 ZINC000409168255 556981057 /nfs/dbraw/zinc/98/10/57/556981057.db2.gz PIMUCCHOAHQRBJ-YDZHTSKRSA-N 0 0 427.529 5.261 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1c(C)cccc1C ZINC000409171867 556984655 /nfs/dbraw/zinc/98/46/55/556984655.db2.gz CLQOLEDGRNGEKW-YDZHTSKRSA-N 0 0 441.556 5.819 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1cccc(C)c1C ZINC000409172689 556987038 /nfs/dbraw/zinc/98/70/38/556987038.db2.gz GELAQCUDYLWSAT-ZMOGYAJESA-N 0 0 441.556 5.819 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccccc2Cl)cc1Br ZINC000409178882 556987379 /nfs/dbraw/zinc/98/73/79/556987379.db2.gz ONAYJZBQDSQICY-UHFFFAOYSA-N 0 0 431.555 6.042 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl ZINC000409172986 556987640 /nfs/dbraw/zinc/98/76/40/556987640.db2.gz NHDZCFVJHPUVOS-XLTHYULKSA-N 0 0 426.925 5.625 40 30 IKEBRN COc1ccc([C@@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1 ZINC000409185577 556990901 /nfs/dbraw/zinc/99/09/01/556990901.db2.gz MSZJPBNNTMTGIK-RPUKTSEFSA-N 0 0 433.939 5.116 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1C ZINC000409199150 556995496 /nfs/dbraw/zinc/99/54/96/556995496.db2.gz BIXCHQJRQIOMDT-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409209497 556996730 /nfs/dbraw/zinc/99/67/30/556996730.db2.gz FXWNLQKACOEWFL-BUVRLJJBSA-N 0 0 435.436 6.007 40 30 IKEBRN COc1ccc(CN/N=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)cc1OC ZINC000020196059 556996917 /nfs/dbraw/zinc/99/69/17/556996917.db2.gz ZAJQGLPVNGNXMS-MUFRIFMGSA-N 0 0 447.966 5.792 40 30 IKEBRN COc1ccc(CN/N=C/c2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OC ZINC000020196413 556997097 /nfs/dbraw/zinc/99/70/97/556997097.db2.gz NYVIOKCEEACFRB-JFLMPSFJSA-N 0 0 440.927 5.069 40 30 IKEBRN COc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1OC ZINC000020196359 556997109 /nfs/dbraw/zinc/99/71/09/556997109.db2.gz OJHPUNQJJDAWFE-LGJNPRDNSA-N 0 0 445.346 5.713 40 30 IKEBRN COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC ZINC000020196328 556997192 /nfs/dbraw/zinc/99/71/92/556997192.db2.gz WUPRNOOMNAGANS-MZJWZYIUSA-N 0 0 428.891 5.199 40 30 IKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409208210 556997223 /nfs/dbraw/zinc/99/72/23/556997223.db2.gz AJHOFALBIWJTIA-AFUMVMLFSA-N 0 0 443.952 5.792 40 30 IKEBRN COc1ccc(CN/N=C/c2c(OCc3ccc(C)cc3)ccc3ccccc32)cc1OC ZINC000020196606 556997387 /nfs/dbraw/zinc/99/73/87/556997387.db2.gz HFKLGYIDDUQERO-UXHLAJHPSA-N 0 0 440.543 5.868 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1cccc(F)c1 ZINC000409208793 556997720 /nfs/dbraw/zinc/99/77/20/556997720.db2.gz DIYVBIOTTLCJBO-AFUMVMLFSA-N 0 0 428.301 6.317 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000409208681 556997779 /nfs/dbraw/zinc/99/77/79/556997779.db2.gz DQDMVIFTNAQYLF-FSJBWODESA-N 0 0 425.828 6.316 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000409209279 556998208 /nfs/dbraw/zinc/99/82/08/556998208.db2.gz FCDWOCQALHOMOG-UVHMKAGCSA-N 0 0 448.777 7.547 40 30 IKEBRN Fc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409209229 556998247 /nfs/dbraw/zinc/99/82/47/556998247.db2.gz HZYMPWKUOWHRCD-STBIYBPSSA-N 0 0 431.894 7.601 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1C(C)C ZINC000409209127 556998258 /nfs/dbraw/zinc/99/82/58/556998258.db2.gz HHBJDICLRZYPBJ-SACJYJSVSA-N 0 0 435.568 5.918 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)c1 ZINC000409199354 556998766 /nfs/dbraw/zinc/99/87/66/556998766.db2.gz CFDCMGLQGXPKNI-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN Clc1cccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409200046 556999192 /nfs/dbraw/zinc/99/91/92/556999192.db2.gz FXUPOKLRGJFPJJ-STBIYBPSSA-N 0 0 448.349 8.115 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1 ZINC000409180674 556999486 /nfs/dbraw/zinc/99/94/86/556999486.db2.gz YCUPMJYPCXNBQL-UHFFFAOYSA-N 0 0 431.555 6.042 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c2C)cc1 ZINC000409200382 556999921 /nfs/dbraw/zinc/99/99/21/556999921.db2.gz IKRMYJDEBHFTQG-QMSJJHEMSA-N 0 0 425.598 5.582 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409202153 557001201 /nfs/dbraw/zinc/00/12/01/557001201.db2.gz PGYFLUPHELHKTI-ZVHZXABRSA-N 0 0 429.925 5.484 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000409202134 557001215 /nfs/dbraw/zinc/00/12/15/557001215.db2.gz PDJVUPMAQUKOSZ-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1 ZINC000409202983 557001899 /nfs/dbraw/zinc/00/18/99/557001899.db2.gz VLXPCEOYEBFNQG-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN CCCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OCC ZINC000409203281 557002213 /nfs/dbraw/zinc/00/22/13/557002213.db2.gz WEEULMFIKNILRY-LPYMAVHISA-N 0 0 437.321 5.846 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2cn(Cc3ccccc3C#N)c3ccccc23)C(=O)N1C(C)C ZINC000409203358 557002428 /nfs/dbraw/zinc/00/24/28/557002428.db2.gz WQRWKSQCUWWIPE-CZCNCZSWSA-N 0 0 442.588 5.650 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409209858 557004346 /nfs/dbraw/zinc/00/43/46/557004346.db2.gz HXLHIRRFWSSZGF-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN Cc1ccccc1/N=C/c1cc(Cl)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409210217 557004647 /nfs/dbraw/zinc/00/46/47/557004647.db2.gz JCOZKDWEMRUZGJ-RPPGKUMJSA-N 0 0 434.801 7.118 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409210347 557004832 /nfs/dbraw/zinc/00/48/32/557004832.db2.gz JRFCAAAYEQWWCJ-JFLMPSFJSA-N 0 0 436.939 6.124 40 30 IKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409210770 557005352 /nfs/dbraw/zinc/00/53/52/557005352.db2.gz GRGIXVZDNDWBKL-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN Fc1cccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)c1 ZINC000409211123 557005588 /nfs/dbraw/zinc/00/55/88/557005588.db2.gz HXYHOVQCPUNFAF-STBIYBPSSA-N 0 0 431.894 7.601 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1C ZINC000409211580 557006212 /nfs/dbraw/zinc/00/62/12/557006212.db2.gz OHUJVNOUCMTTOC-LQKURTRISA-N 0 0 444.372 7.549 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409211649 557006469 /nfs/dbraw/zinc/00/64/69/557006469.db2.gz NMUZCKVHGRAWIS-AFUMVMLFSA-N 0 0 443.952 5.792 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409212354 557006913 /nfs/dbraw/zinc/00/69/13/557006913.db2.gz PFJUHDXKCHBYGN-AFUMVMLFSA-N 0 0 440.883 5.985 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cc(C)cc(C)c4)NC3=O)c2C)cc1 ZINC000409187052 557007202 /nfs/dbraw/zinc/00/72/02/557007202.db2.gz LKBJDFFVHBYHNX-IWIPYMOSSA-N 0 0 445.588 6.001 40 30 IKEBRN Brc1ccc(COc2ccc(/C=N/c3ccccc3)cc2)c(Br)c1 ZINC000409187967 557007677 /nfs/dbraw/zinc/00/76/77/557007677.db2.gz WANCCQJKOFVPEH-YDZHTSKRSA-N 0 0 445.154 6.541 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3cc(Cl)ccc3C)c2)cc1Cl ZINC000409213931 557008398 /nfs/dbraw/zinc/00/83/98/557008398.db2.gz WHYACBWENONHDB-ZMFRSBBQSA-N 0 0 427.331 6.378 40 30 IKEBRN COc1ccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)cc1 ZINC000409213982 557008464 /nfs/dbraw/zinc/00/84/64/557008464.db2.gz VUCXVIMGUIOGIK-JVWAILMASA-N 0 0 446.344 6.941 40 30 IKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000409213792 557008466 /nfs/dbraw/zinc/00/84/66/557008466.db2.gz VPSMJJMIKOZVOB-FLSMQFACSA-N 0 0 432.593 5.731 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccccc1 ZINC000409214296 557008932 /nfs/dbraw/zinc/00/89/32/557008932.db2.gz WMZKFXNMVREYTA-BUVRLJJBSA-N 0 0 429.925 5.565 40 30 IKEBRN Cc1ccc(COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2Br)cc1 ZINC000409214571 557009134 /nfs/dbraw/zinc/00/91/34/557009134.db2.gz YGNMKHHFNOHCDU-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000409214922 557009407 /nfs/dbraw/zinc/00/94/07/557009407.db2.gz ZRAHKBSASOXIGZ-AFUMVMLFSA-N 0 0 428.757 6.995 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1Cl ZINC000409214913 557009461 /nfs/dbraw/zinc/00/94/61/557009461.db2.gz YUWGVOLNKDIVNS-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 ZINC000409215027 557009645 /nfs/dbraw/zinc/00/96/45/557009645.db2.gz ZFMOAXMMJUFXIY-AFUMVMLFSA-N 0 0 444.756 6.831 40 30 IKEBRN CC(C)OC(=O)c1ccc(Cl)cc1-c1ccc(/C=N/c2cccc(Br)c2)o1 ZINC000409189770 557009743 /nfs/dbraw/zinc/00/97/43/557009743.db2.gz SNULBQXRKZUTTL-WYMPLXKRSA-N 0 0 446.728 6.678 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409215222 557009958 /nfs/dbraw/zinc/00/99/58/557009958.db2.gz YYBTUSSSTLGUQW-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN Cc1ccc(-c2ccc(/C=C3\S/C(=N\C(C)C)N(C(C)C)C3=O)o2)c(Br)c1 ZINC000409215263 557010196 /nfs/dbraw/zinc/01/01/96/557010196.db2.gz WIUDUNZOBKTCLB-YXKLRJOASA-N 0 0 447.398 6.107 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409215343 557010234 /nfs/dbraw/zinc/01/02/34/557010234.db2.gz ZIPFUSHRCVHPIA-OCSSWDANSA-N 0 0 443.974 7.838 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c(C)c1 ZINC000409215507 557010413 /nfs/dbraw/zinc/01/04/13/557010413.db2.gz ACUDHZXAKCJQTB-ZMOGYAJESA-N 0 0 439.309 6.304 40 30 IKEBRN C=CCc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(OCC)c1OC ZINC000409215484 557010477 /nfs/dbraw/zinc/01/04/77/557010477.db2.gz ZSNLRQCNAVZJAZ-IHQKUFHXSA-N 0 0 436.621 6.657 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(C)c(Cl)c2)cc1 ZINC000409215846 557010743 /nfs/dbraw/zinc/01/07/43/557010743.db2.gz FSICKBFPAMQPFJ-JVWAILMASA-N 0 0 449.959 6.628 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)c1C ZINC000409216437 557011344 /nfs/dbraw/zinc/01/13/44/557011344.db2.gz IFXJFDOZRBMFPH-OEAKJJBVSA-N 0 0 444.350 5.584 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1cccc2ccccc21 ZINC000409216562 557011431 /nfs/dbraw/zinc/01/14/31/557011431.db2.gz MGOOBGIIJGWEQV-JVWAILMASA-N 0 0 446.344 6.941 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3C)cc2Br)cc1 ZINC000409216760 557011746 /nfs/dbraw/zinc/01/17/46/557011746.db2.gz LGMGJHDWQAXCMT-OEAKJJBVSA-N 0 0 444.350 5.584 40 30 IKEBRN Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)c(C)c1 ZINC000409217035 557011841 /nfs/dbraw/zinc/01/18/41/557011841.db2.gz QYUQSRJBSFUJOV-WKULSOCRSA-N 0 0 434.366 8.093 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409217515 557012280 /nfs/dbraw/zinc/01/22/80/557012280.db2.gz WLUQKCKBMGXHSF-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000409217877 557012399 /nfs/dbraw/zinc/01/23/99/557012399.db2.gz XWXZOQCJFZLXFF-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)c1C ZINC000409217977 557012583 /nfs/dbraw/zinc/01/25/83/557012583.db2.gz RVWYATYXGLJYQK-ZMOGYAJESA-N 0 0 439.309 6.304 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1F ZINC000409218344 557012614 /nfs/dbraw/zinc/01/26/14/557012614.db2.gz ULQSPIJJMJLLBV-DHRITJCHSA-N 0 0 428.301 6.235 40 30 IKEBRN Cc1cccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c1C ZINC000409199010 557012747 /nfs/dbraw/zinc/01/27/47/557012747.db2.gz AWEIYRWTUCPMHQ-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409200117 557012916 /nfs/dbraw/zinc/01/29/16/557012916.db2.gz GTEITEIABNLIQY-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409199290 557012937 /nfs/dbraw/zinc/01/29/37/557012937.db2.gz CBCKVBTZDQLVCM-JFLMPSFJSA-N 0 0 436.939 6.124 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 ZINC000409199254 557012968 /nfs/dbraw/zinc/01/29/68/557012968.db2.gz ARCHBZCOLKGNDQ-AFUMVMLFSA-N 0 0 428.757 6.995 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000409199283 557013022 /nfs/dbraw/zinc/01/30/22/557013022.db2.gz BFXQVNZOXAQACJ-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409218971 557013134 /nfs/dbraw/zinc/01/31/34/557013134.db2.gz ZCZVTAVJFVPYIB-AFUMVMLFSA-N 0 0 444.756 6.831 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000409200220 557013236 /nfs/dbraw/zinc/01/32/36/557013236.db2.gz HBIPOENGUNIONY-AFUMVMLFSA-N 0 0 444.756 6.831 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409200213 557013263 /nfs/dbraw/zinc/01/32/63/557013263.db2.gz HNCWPSNVKNAIRX-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409199966 557013369 /nfs/dbraw/zinc/01/33/69/557013369.db2.gz GCWFXAXSIYCHJG-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc32)c(C)c1 ZINC000409199822 557013417 /nfs/dbraw/zinc/01/34/17/557013417.db2.gz DNSDGFRZIVJOHT-LQKURTRISA-N 0 0 444.372 7.549 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1cccc(C)c1 ZINC000409199992 557013526 /nfs/dbraw/zinc/01/35/26/557013526.db2.gz GKLGEFHZHZVODO-WRIATZMJSA-N 0 0 438.593 5.672 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000409200668 557013823 /nfs/dbraw/zinc/01/38/23/557013823.db2.gz JMBBHZODBSKSCN-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN Brc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)cc1 ZINC000409201283 557014274 /nfs/dbraw/zinc/01/42/74/557014274.db2.gz KYDJFGRXMGYBOQ-YDZHTSKRSA-N 0 0 445.154 6.541 40 30 IKEBRN Clc1ccccc1COc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1Cl ZINC000409201327 557014279 /nfs/dbraw/zinc/01/42/79/557014279.db2.gz LNAUWWVCZVKHJT-STBIYBPSSA-N 0 0 448.349 8.115 40 30 IKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OC ZINC000409201421 557014285 /nfs/dbraw/zinc/01/42/85/557014285.db2.gz MWZIOQUTGPCEKR-FYJGNVAPSA-N 0 0 437.277 5.014 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409202309 557014637 /nfs/dbraw/zinc/01/46/37/557014637.db2.gz RHGXVYREMZDCOP-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1OCC ZINC000409201835 557014641 /nfs/dbraw/zinc/01/46/41/557014641.db2.gz OEKWFAHKHCLHAB-WKTMJKCCSA-N 0 0 438.637 7.099 40 30 IKEBRN Cc1ccc(-c2ccc(/C=C3\SC(=Nc4ccccc4Cl)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000409202208 557014703 /nfs/dbraw/zinc/01/47/03/557014703.db2.gz QBPXSVYIMGGWTK-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000409203647 557014903 /nfs/dbraw/zinc/01/49/03/557014903.db2.gz ZTGOKTLTHFIGTE-LGJNPRDNSA-N 0 0 443.330 6.079 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 ZINC000409203432 557014940 /nfs/dbraw/zinc/01/49/40/557014940.db2.gz WHKAQGCGBAIGHO-VULFUBBASA-N 0 0 442.328 6.489 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 ZINC000409203777 557015278 /nfs/dbraw/zinc/01/52/78/557015278.db2.gz YSBRXEYGFSKPMC-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409203070 557015779 /nfs/dbraw/zinc/01/57/79/557015779.db2.gz UNBLHDCFZJMKBX-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S1 ZINC000409236370 557018240 /nfs/dbraw/zinc/01/82/40/557018240.db2.gz FNWROIPUROVUTJ-YBFXNURJSA-N 0 0 429.328 6.453 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409236941 557018811 /nfs/dbraw/zinc/01/88/11/557018811.db2.gz HBVFVJKHQXPPQW-WYPBWKFOSA-N 0 0 436.558 6.063 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccccc1F ZINC000409207896 557019084 /nfs/dbraw/zinc/01/90/84/557019084.db2.gz CFPFHAVEAQJNIE-VULFUBBASA-N 0 0 442.328 6.625 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)cn3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409237485 557019182 /nfs/dbraw/zinc/01/91/82/557019182.db2.gz UVIMJRQOJHIINA-OFSJXLMGSA-N 0 0 434.540 5.561 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000409208628 557019962 /nfs/dbraw/zinc/01/99/62/557019962.db2.gz CYSQQZUKFZKVIC-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409208981 557020031 /nfs/dbraw/zinc/02/00/31/557020031.db2.gz DTZDIKYHVUNYAO-CVKSISIWSA-N 0 0 438.365 6.794 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F ZINC000409208948 557020069 /nfs/dbraw/zinc/02/00/69/557020069.db2.gz DLXUQGIHYZIGOW-LGJNPRDNSA-N 0 0 442.328 6.543 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409210062 557020266 /nfs/dbraw/zinc/02/02/66/557020266.db2.gz KQSBHBNSHGFFDQ-KKMKTNMSSA-N 0 0 448.777 7.602 40 30 IKEBRN CCCOc1c(I)cc(/C=N/c2ccc(CC)cc2)cc1OCC ZINC000409209488 557020348 /nfs/dbraw/zinc/02/03/48/557020348.db2.gz BWXZTPFIRLJUJT-HYARGMPZSA-N 0 0 437.321 5.792 40 30 IKEBRN Clc1ccc(COc2ccc(/C=N/c3ccccc3)cc2Br)c(Cl)c1 ZINC000409209051 557020354 /nfs/dbraw/zinc/02/03/54/557020354.db2.gz FKQVFANGUVJUMN-WYMPLXKRSA-N 0 0 435.148 7.086 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409210029 557020416 /nfs/dbraw/zinc/02/04/16/557020416.db2.gz KKOYTOLDYZLHLS-UVHMKAGCSA-N 0 0 444.409 6.782 40 30 IKEBRN CC[C@H](C)n1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c2ccccc21 ZINC000409238909 557020435 /nfs/dbraw/zinc/02/04/35/557020435.db2.gz MCUDAHQPKPQOFY-QPCPSIQXSA-N 0 0 433.577 6.245 40 30 IKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409209912 557020592 /nfs/dbraw/zinc/02/05/92/557020592.db2.gz GWMBZNXWGCTORL-ZVHZXABRSA-N 0 0 429.925 5.484 40 30 IKEBRN CCCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC ZINC000409210084 557020603 /nfs/dbraw/zinc/02/06/03/557020603.db2.gz DLCFTFVHYXSDFA-LPYMAVHISA-N 0 0 437.321 5.846 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000409209970 557020618 /nfs/dbraw/zinc/02/06/18/557020618.db2.gz KCRLMOJKRXFFBO-VULFUBBASA-N 0 0 430.382 6.555 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1 ZINC000409209602 557020624 /nfs/dbraw/zinc/02/06/24/557020624.db2.gz GSNJTOAUOBBTMY-AFUMVMLFSA-N 0 0 428.301 6.317 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)c1 ZINC000409209857 557020630 /nfs/dbraw/zinc/02/06/30/557020630.db2.gz JMAJQUYAPCLJIK-OEAKJJBVSA-N 0 0 444.350 5.584 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2ccc(C)cc2C)cc1 ZINC000409209751 557020683 /nfs/dbraw/zinc/02/06/83/557020683.db2.gz HRVISUSBFDBUGL-WPWMEQJKSA-N 0 0 429.541 6.283 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1C ZINC000409210731 557020937 /nfs/dbraw/zinc/02/09/37/557020937.db2.gz KUHGYLUXOOTWPY-OEAKJJBVSA-N 0 0 444.350 5.584 40 30 IKEBRN CCCOc1c(I)cc(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000409210885 557022870 /nfs/dbraw/zinc/02/28/70/557022870.db2.gz LXEGOJNVXYXLCO-SRZZPIQSSA-N 0 0 443.712 5.801 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1Cl ZINC000409210812 557022996 /nfs/dbraw/zinc/02/29/96/557022996.db2.gz LOMUBFDRAIKTPA-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Br ZINC000409210970 557023306 /nfs/dbraw/zinc/02/33/06/557023306.db2.gz MGWSFIRZRBDQNH-AWQFTUOYSA-N 0 0 431.555 6.323 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409211272 557023479 /nfs/dbraw/zinc/02/34/79/557023479.db2.gz NGTSDZWAPSQQOK-VULFUBBASA-N 0 0 442.328 6.625 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc32)cc1 ZINC000409211216 557023490 /nfs/dbraw/zinc/02/34/90/557023490.db2.gz LFHRWPNWEKZAKU-JVWAILMASA-N 0 0 430.345 7.240 40 30 IKEBRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409211161 557023506 /nfs/dbraw/zinc/02/35/06/557023506.db2.gz IDZHVOHQDSIPPB-HMAPJEAMSA-N 0 0 436.533 5.372 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409211185 557023544 /nfs/dbraw/zinc/02/35/44/557023544.db2.gz NBQQJSAYNRYUHP-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409211674 557025229 /nfs/dbraw/zinc/02/52/29/557025229.db2.gz MPRBDSDRPLGVPJ-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c(C)c1 ZINC000409211775 557025266 /nfs/dbraw/zinc/02/52/66/557025266.db2.gz MZLXGFCPUDSDSC-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409213403 557025818 /nfs/dbraw/zinc/02/58/18/557025818.db2.gz UFOJABSNUCBPKB-UVHMKAGCSA-N 0 0 444.409 6.782 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1C ZINC000409212385 557025946 /nfs/dbraw/zinc/02/59/46/557025946.db2.gz QXTXCALGNPHNDK-FSJBWODESA-N 0 0 425.828 6.316 40 30 IKEBRN Cc1ccccc1/N=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Br)c1 ZINC000409212603 557026287 /nfs/dbraw/zinc/02/62/87/557026287.db2.gz QVXDCPVTZMKXJC-HYARGMPZSA-N 0 0 430.323 5.276 40 30 IKEBRN Cc1ccccc1Oc1ccc(/N=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)cc1 ZINC000409245286 557027002 /nfs/dbraw/zinc/02/70/02/557027002.db2.gz QIXHURKYRXUEDC-DXJNIWACSA-N 0 0 434.514 7.680 40 30 IKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000409213214 557027084 /nfs/dbraw/zinc/02/70/84/557027084.db2.gz TUPYMUMBGGGNCU-DHRITJCHSA-N 0 0 444.300 5.935 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3cccc(Cl)c3C)cc2)cc1Cl ZINC000409212973 557027116 /nfs/dbraw/zinc/02/71/16/557027116.db2.gz SQRINYXFEQUHHD-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN COc1cccc(Oc2ccc(/N=C/c3ccc(Sc4ccc(C)cc4)cc3)cc2)c1 ZINC000409245049 557027129 /nfs/dbraw/zinc/02/71/29/557027129.db2.gz MQUOIDQNKVNDID-TURZUDJPSA-N 0 0 425.553 7.698 40 30 IKEBRN CCN1C(=O)/C(=C\c2cccn2-c2cccc(C)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409245597 557027224 /nfs/dbraw/zinc/02/72/24/557027224.db2.gz WIFOGZFOSKMDET-XZKXACHFSA-N 0 0 431.561 5.727 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409214466 557027306 /nfs/dbraw/zinc/02/73/06/557027306.db2.gz XWLPOVYXZGRRFR-ZMOGYAJESA-N 0 0 426.856 5.595 40 30 IKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409214360 557027391 /nfs/dbraw/zinc/02/73/91/557027391.db2.gz XPUISYKIZIERRI-MUFRIFMGSA-N 0 0 429.947 7.448 40 30 IKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1 ZINC000409214462 557027407 /nfs/dbraw/zinc/02/74/07/557027407.db2.gz XVTTYXQIINBNCS-RDRPBHBLSA-N 0 0 443.930 7.471 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409214003 557027971 /nfs/dbraw/zinc/02/79/71/557027971.db2.gz WKXRQMJTKPHOHT-JFLMPSFJSA-N 0 0 436.939 6.124 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1cccc(F)c1 ZINC000409213989 557027991 /nfs/dbraw/zinc/02/79/91/557027991.db2.gz WCKLMJILDDZGOR-MYVOUCEISA-N 0 0 442.556 5.502 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409214849 557027994 /nfs/dbraw/zinc/02/79/94/557027994.db2.gz UYRPPWIVEXYCCB-VULFUBBASA-N 0 0 430.331 6.730 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1C ZINC000409213875 557028025 /nfs/dbraw/zinc/02/80/25/557028025.db2.gz WBDKENWUXFRLBQ-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN C#CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1Br ZINC000409213917 557028033 /nfs/dbraw/zinc/02/80/33/557028033.db2.gz WFSSNPALIMKGOX-UFFVCSGVSA-N 0 0 441.550 5.936 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409215243 557028247 /nfs/dbraw/zinc/02/82/47/557028247.db2.gz VYZVKTOOYPFKDA-MZJWZYIUSA-N 0 0 436.939 6.042 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(OCC)c2)cc1 ZINC000409214954 557028270 /nfs/dbraw/zinc/02/82/70/557028270.db2.gz YVFBRUYHLYICMR-JJIBRWJFSA-N 0 0 425.506 5.002 40 30 IKEBRN CCc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000409215059 557028417 /nfs/dbraw/zinc/02/84/17/557028417.db2.gz ZKMSAMKAKKSOLW-MUFRIFMGSA-N 0 0 434.366 8.039 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)c1 ZINC000409217604 557029501 /nfs/dbraw/zinc/02/95/01/557029501.db2.gz QPACKBRBKBZJLU-WKULSOCRSA-N 0 0 434.366 8.093 40 30 IKEBRN C=CCc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(OCC)c1OC ZINC000409215485 557029717 /nfs/dbraw/zinc/02/97/17/557029717.db2.gz ZSNLRQCNAVZJAZ-OAKYDWFHSA-N 0 0 436.621 6.657 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408527226 557030219 /nfs/dbraw/zinc/03/02/19/557030219.db2.gz BJVPRXPMPWXIPI-UCQKPKSFSA-N 0 0 448.519 5.613 40 30 IKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1O[C@@H](C)CC ZINC000409215592 557030138 /nfs/dbraw/zinc/03/01/38/557030138.db2.gz BXWKEXQPXQGUTE-KQBRTPTCSA-N 0 0 438.637 7.097 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)S2)c(C)c1 ZINC000409215654 557030185 /nfs/dbraw/zinc/03/01/85/557030185.db2.gz CYAMQCQYPRGCIT-NDENLUEZSA-N 0 0 442.462 6.474 40 30 IKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc(Br)c1OC ZINC000408527175 557030284 /nfs/dbraw/zinc/03/02/84/557030284.db2.gz BDHWZERSBDOHBQ-BOPFTXTBSA-N 0 0 447.354 5.056 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(OCC)c1 ZINC000408530593 557030774 /nfs/dbraw/zinc/03/07/74/557030774.db2.gz MQTIVBUMWLTGGR-HXNPFYCNSA-N 0 0 444.556 6.293 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1C ZINC000409216401 557030885 /nfs/dbraw/zinc/03/08/85/557030885.db2.gz KWUTZPINCMFWQO-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2ccccc2F)c(Cl)c1 ZINC000408528039 557030947 /nfs/dbraw/zinc/03/09/47/557030947.db2.gz CBSKCSDDIMNGKH-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc32)cc1 ZINC000409216517 557031007 /nfs/dbraw/zinc/03/10/07/557031007.db2.gz ITRZFKUVFMNMLP-JVWAILMASA-N 0 0 446.344 6.941 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409241020 557031284 /nfs/dbraw/zinc/03/12/84/557031284.db2.gz MWSRHXXMECKANX-VDQGFZQOSA-N 0 0 432.520 6.029 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)N1C(C)C ZINC000409216785 557031245 /nfs/dbraw/zinc/03/12/45/557031245.db2.gz OLRZIWWWSNZUGN-GRUKXCDCSA-N 0 0 439.537 5.263 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(C#N)cc1 ZINC000409216614 557031384 /nfs/dbraw/zinc/03/13/84/557031384.db2.gz JYBFJCASFRQBNO-SRZZPIQSSA-N 0 0 433.920 5.860 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409217400 557031549 /nfs/dbraw/zinc/03/15/49/557031549.db2.gz UGUPLSYLZSIIEC-CVKSISIWSA-N 0 0 438.911 5.515 40 30 IKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1 ZINC000409217211 557031564 /nfs/dbraw/zinc/03/15/64/557031564.db2.gz OBCSXZCGYDOMDM-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN CCCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Br ZINC000408529548 557031540 /nfs/dbraw/zinc/03/15/40/557031540.db2.gz HSJFAXWOJHEHML-PDGQHHTCSA-N 0 0 431.355 5.438 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 ZINC000409217308 557031622 /nfs/dbraw/zinc/03/16/22/557031622.db2.gz OWTQQPJDMWTIKI-ZVHZXABRSA-N 0 0 445.924 5.184 40 30 IKEBRN O=C(COc1ccc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Cl)Nc1ccc(Cl)cc1 ZINC000409217394 557031631 /nfs/dbraw/zinc/03/16/31/557031631.db2.gz CIKKDHYDOYZUKB-WYMPLXKRSA-N 0 0 444.274 5.670 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C\c3ccc(O)c(Cl)c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408531360 557031902 /nfs/dbraw/zinc/03/19/02/557031902.db2.gz LTDUCNORMYMWNN-PZFZXBCHSA-N 0 0 434.948 6.471 40 30 IKEBRN Cc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc32)c(C)c1 ZINC000409217980 557031931 /nfs/dbraw/zinc/03/19/31/557031931.db2.gz RWNUYUDURZGYGR-CVKSISIWSA-N 0 0 441.443 6.816 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409217843 557031943 /nfs/dbraw/zinc/03/19/43/557031943.db2.gz XJFCGPZTVSFLLT-VUTHCHCSSA-N 0 0 436.511 6.555 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408531078 557032057 /nfs/dbraw/zinc/03/20/57/557032057.db2.gz NYSKICKSBJFNQE-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2F)S/C1=N/c1ccc(F)cc1 ZINC000409242232 557032218 /nfs/dbraw/zinc/03/22/18/557032218.db2.gz VXDAXISRTWPCGF-ZXOKNOEDSA-N 0 0 427.520 5.579 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1ccccc1F ZINC000408533364 557032347 /nfs/dbraw/zinc/03/23/47/557032347.db2.gz QNHAWUWCSMJAKC-UCQKPKSFSA-N 0 0 448.519 5.613 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccc([N+](=O)[O-])cc4)c3)S2)cc1 ZINC000408533354 557032371 /nfs/dbraw/zinc/03/23/71/557032371.db2.gz QMXCIRPPIMRCRW-HMAPJEAMSA-N 0 0 445.500 5.374 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OCC ZINC000408533209 557032419 /nfs/dbraw/zinc/03/24/19/557032419.db2.gz XPYHMFKCFUZETC-PDGQHHTCSA-N 0 0 449.359 5.849 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4C#N)C3=O)cc2)cc1 ZINC000408534624 557032606 /nfs/dbraw/zinc/03/26/06/557032606.db2.gz TWFUGOIGGHFZAT-UCQKPKSFSA-N 0 0 442.565 6.254 40 30 IKEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O ZINC000408535776 557032631 /nfs/dbraw/zinc/03/26/31/557032631.db2.gz WJXLQXGUHJKDIC-PDGQHHTCSA-N 0 0 430.323 5.250 40 30 IKEBRN CCCCCCOc1ccc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1OCC ZINC000408539208 557032990 /nfs/dbraw/zinc/03/29/90/557032990.db2.gz FTFYOGXYSKNYKV-UHFFFAOYSA-N 0 0 438.564 6.172 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)c3ccccc32)c1 ZINC000408541750 557033724 /nfs/dbraw/zinc/03/37/24/557033724.db2.gz FQVONFAAIVOQKP-WGARJPEWSA-N 0 0 427.460 5.443 40 30 IKEBRN COc1cc(N2CCCCC2)ccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409244186 557033810 /nfs/dbraw/zinc/03/38/10/557033810.db2.gz ZCVKAZONJAQSAU-TWKHWXDSSA-N 0 0 428.620 6.904 40 30 IKEBRN COC(=O)c1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 ZINC000408542394 557033873 /nfs/dbraw/zinc/03/38/73/557033873.db2.gz JAZXIAGYCMAECG-JFLMPSFJSA-N 0 0 426.472 5.013 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3ccc(Cl)c(Cl)c3)c3ccccc32)c1 ZINC000408542502 557033883 /nfs/dbraw/zinc/03/38/83/557033883.db2.gz LVZUFVCOSWNQLQ-WKIKZPBSSA-N 0 0 437.326 6.534 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC ZINC000409220759 557035950 /nfs/dbraw/zinc/03/59/50/557035950.db2.gz FKAXZLBSCNYPQK-VAOMWCJQSA-N 0 0 428.529 5.636 40 30 IKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)S1 ZINC000409251863 557036909 /nfs/dbraw/zinc/03/69/09/557036909.db2.gz QSKLNWZTLGWOQK-REZTVBANSA-N 0 0 446.757 5.784 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409221902 557039181 /nfs/dbraw/zinc/03/91/81/557039181.db2.gz VRPHFXGMKGQCFI-LRXZINBSSA-N 0 0 438.936 6.233 40 30 IKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408560072 557039412 /nfs/dbraw/zinc/03/94/12/557039412.db2.gz ACSGGJISAFIASP-UHFFFAOYSA-N 0 0 441.428 6.015 40 30 IKEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000408561039 557039725 /nfs/dbraw/zinc/03/97/25/557039725.db2.gz WEMYEJCSTIPJII-UHFFFAOYSA-N 0 0 441.626 5.278 40 30 IKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc3c4c(cccc42)CC3)n1CC ZINC000408560877 557039728 /nfs/dbraw/zinc/03/97/28/557039728.db2.gz QCDPNUQCKTXZLM-UHFFFAOYSA-N 0 0 436.625 5.794 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000408561986 557040030 /nfs/dbraw/zinc/04/00/30/557040030.db2.gz MKNQOAFYDQQYBF-UHFFFAOYSA-N 0 0 448.979 5.592 40 30 IKEBRN COc1ccc(-c2oc(/N=C/c3ccc(C#N)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408567926 557041757 /nfs/dbraw/zinc/04/17/57/557041757.db2.gz QOJSSLIPBZVEME-OCSSWDANSA-N 0 0 433.467 6.125 40 30 IKEBRN COc1cc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1C#N ZINC000408569991 557041973 /nfs/dbraw/zinc/04/19/73/557041973.db2.gz KMWARNOYLDMLHY-QFIPXVFZSA-N 0 0 427.460 5.036 40 30 IKEBRN N#Cc1ccccc1COc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1Cl ZINC000408574512 557043086 /nfs/dbraw/zinc/04/30/86/557043086.db2.gz UZXAPUINOJFUJW-NRFANRHFSA-N 0 0 431.879 5.681 40 30 IKEBRN Cc1c(Cl)cccc1NC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000408574613 557043115 /nfs/dbraw/zinc/04/31/15/557043115.db2.gz AIEXGLUMOYNMAP-UHFFFAOYSA-N 0 0 431.875 5.129 40 30 IKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc(C)cc(C)n3)sc2C1 ZINC000408582023 557044815 /nfs/dbraw/zinc/04/48/15/557044815.db2.gz LDLVBKRLWZONIQ-OAHLLOKOSA-N 0 0 428.627 5.299 40 30 IKEBRN CC[C@@H](C)Oc1c(Br)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000408587915 557046304 /nfs/dbraw/zinc/04/63/04/557046304.db2.gz AOUCWMSWIWWPMY-SRRANQMSSA-N 0 0 437.290 5.094 40 30 IKEBRN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccc(Cl)s1 ZINC000409283387 557048051 /nfs/dbraw/zinc/04/80/51/557048051.db2.gz QXJDSJQWPRZMMD-UHFFFAOYSA-N 0 0 440.311 6.060 40 30 IKEBRN Cc1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c(C)n1-c1ccccc1C ZINC000409283294 557048195 /nfs/dbraw/zinc/04/81/95/557048195.db2.gz RZJNWFYAZGMFGO-UHFFFAOYSA-N 0 0 449.352 5.066 40 30 IKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(OC)c(C)c3)cc21 ZINC000409283489 557048564 /nfs/dbraw/zinc/04/85/64/557048564.db2.gz RLOYVSHVANDVFO-UHFFFAOYSA-N 0 0 439.471 5.018 40 30 IKEBRN CN(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3cc(Cl)ccc3o2)o1 ZINC000409283828 557048922 /nfs/dbraw/zinc/04/89/22/557048922.db2.gz SBPOSOGFGMLPOY-UHFFFAOYSA-N 0 0 432.867 5.004 40 30 IKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3c(C)cc(C)cc3C)cc21 ZINC000409284732 557049101 /nfs/dbraw/zinc/04/91/01/557049101.db2.gz VRUITRWGUFYPSE-UHFFFAOYSA-N 0 0 437.499 5.626 40 30 IKEBRN CSc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000409292049 557049671 /nfs/dbraw/zinc/04/96/71/557049671.db2.gz FNKUHXDBGRWPCF-UHFFFAOYSA-N 0 0 439.462 5.686 40 30 IKEBRN CC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409292387 557050007 /nfs/dbraw/zinc/05/00/07/557050007.db2.gz DWSUXHGIJKCSNV-QGZVFWFLSA-N 0 0 448.523 5.412 40 30 IKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(-c2ccc(F)cc2)o1 ZINC000409294763 557050754 /nfs/dbraw/zinc/05/07/54/557050754.db2.gz PDXJPHFOINBRFE-UHFFFAOYSA-N 0 0 440.272 5.003 40 30 IKEBRN CC[C@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409295071 557051111 /nfs/dbraw/zinc/05/11/11/557051111.db2.gz CIGOHMXHJCRICR-KRWDZBQOSA-N 0 0 448.523 5.412 40 30 IKEBRN C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OC)c1OCC ZINC000409288184 557051639 /nfs/dbraw/zinc/05/16/39/557051639.db2.gz DOPZIVGIJNGZTQ-UHFFFAOYSA-N 0 0 445.563 5.462 40 30 IKEBRN CC[C@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409291019 557052776 /nfs/dbraw/zinc/05/27/76/557052776.db2.gz OFJRAQNSZXPNTQ-IBGZPJMESA-N 0 0 446.595 5.570 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 ZINC000408591785 557053863 /nfs/dbraw/zinc/05/38/63/557053863.db2.gz KMTRMBMLEIGOEE-YDZHTSKRSA-N 0 0 441.281 5.487 40 30 IKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccccc1Cl ZINC000408592413 557054646 /nfs/dbraw/zinc/05/46/46/557054646.db2.gz MKBIPJJUFDHDFN-UVHMKAGCSA-N 0 0 441.314 6.003 40 30 IKEBRN COc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408593026 557054995 /nfs/dbraw/zinc/05/49/95/557054995.db2.gz OETDNRRKSQAWBS-UVHMKAGCSA-N 0 0 441.314 6.003 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000408593385 557055103 /nfs/dbraw/zinc/05/51/03/557055103.db2.gz PMGQJAFVZCAFRU-LGJNPRDNSA-N 0 0 439.284 5.590 40 30 IKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(Cl)cc3)cc21 ZINC000409299486 557055221 /nfs/dbraw/zinc/05/52/21/557055221.db2.gz QLTRNDCHFIMLAU-UHFFFAOYSA-N 0 0 429.863 5.354 40 30 IKEBRN O=[N+]([O-])c1ccc(Cn2cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 ZINC000408589642 557055302 /nfs/dbraw/zinc/05/53/02/557055302.db2.gz FFHPBPRGHQDCMF-ZMOGYAJESA-N 0 0 430.420 5.057 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Cl)c1OCC ZINC000409229664 557055668 /nfs/dbraw/zinc/05/56/68/557055668.db2.gz SOTQYZJOVJSZQX-KZWMQRDFSA-N 0 0 448.947 5.900 40 30 IKEBRN COc1cc(N2CCCCC2)ccc1/C=C1/SC(=Nc2cccc(Cl)c2C)NC1=O ZINC000409229870 557055766 /nfs/dbraw/zinc/05/57/66/557055766.db2.gz VPSHTHWJBJASQJ-FYJGNVAPSA-N 0 0 441.984 5.539 40 30 IKEBRN COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3c(cccc3OC)o2)c(C)c1 ZINC000409302813 557056050 /nfs/dbraw/zinc/05/60/50/557056050.db2.gz GQBHKJDHZRPPOU-UHFFFAOYSA-N 0 0 439.471 5.018 40 30 IKEBRN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1c(O)ccc2ccccc21 ZINC000409304358 557056302 /nfs/dbraw/zinc/05/63/02/557056302.db2.gz LAGVJXRIZUANMZ-UHFFFAOYSA-N 0 0 431.451 5.551 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cc(Cl)ccc1C ZINC000408591154 557056499 /nfs/dbraw/zinc/05/64/99/557056499.db2.gz RQNMGHILYONCHS-SSDVNMTOSA-N 0 0 427.848 5.318 40 30 IKEBRN C=CCn1c(COc2cccc3ccccc32)nnc1SCC(=O)Nc1ccccc1C ZINC000408597333 557056766 /nfs/dbraw/zinc/05/67/66/557056766.db2.gz YIZBIOUKPVMRGO-UHFFFAOYSA-N 0 0 444.560 5.236 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4cc(C)cc(C)c4)NC3=O)cc2)cc1 ZINC000409230910 557057122 /nfs/dbraw/zinc/05/71/22/557057122.db2.gz GVJGXOSYRCNPTR-HAHDFKILSA-N 0 0 430.598 6.655 40 30 IKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1cccc(Br)c1 ZINC000408593770 557057497 /nfs/dbraw/zinc/05/74/97/557057497.db2.gz REUVXDMKCFCFAM-WSDLNYQXSA-N 0 0 428.286 5.316 40 30 IKEBRN Cc1cccc(COc2c(Cl)cc(/C=N/OCc3cccc([N+](=O)[O-])c3)cc2Cl)c1 ZINC000408593829 557057833 /nfs/dbraw/zinc/05/78/33/557057833.db2.gz ROLWVXZVHMEOKM-BRJLIKDPSA-N 0 0 445.302 6.340 40 30 IKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1cccc(C)c1 ZINC000409313018 557058157 /nfs/dbraw/zinc/05/81/57/557058157.db2.gz AXMYYLMMTBTSSO-UHFFFAOYSA-N 0 0 449.352 5.093 40 30 IKEBRN CCCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OC ZINC000409312545 557058290 /nfs/dbraw/zinc/05/82/90/557058290.db2.gz LSBFOELYEKUNNM-UHFFFAOYSA-N 0 0 448.748 5.046 40 30 IKEBRN CCn1c(C)c(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c2ccccc21 ZINC000409305061 557058481 /nfs/dbraw/zinc/05/84/81/557058481.db2.gz LQVAQMLYAUOJOT-UHFFFAOYSA-N 0 0 446.510 5.975 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 ZINC000408595653 557059185 /nfs/dbraw/zinc/05/91/85/557059185.db2.gz XOPNFGDGMNUXPV-WYMPLXKRSA-N 0 0 431.275 6.031 40 30 IKEBRN Cc1cccc(COc2ccc(Br)cc2/C=N/OCc2ccccc2C#N)c1 ZINC000408595737 557059246 /nfs/dbraw/zinc/05/92/46/557059246.db2.gz MYOQTUHDZRIGAS-VULFUBBASA-N 0 0 435.321 5.759 40 30 IKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC000408596420 557059766 /nfs/dbraw/zinc/05/97/66/557059766.db2.gz ZACOWCVEZYVGIW-AFUMVMLFSA-N 0 0 440.883 5.777 40 30 IKEBRN CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409314522 557060110 /nfs/dbraw/zinc/06/01/10/557060110.db2.gz RRKWLLGIFZENHN-IWIPYMOSSA-N 0 0 445.540 5.741 40 30 IKEBRN C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OC)c1OCc1ccc(C)cc1 ZINC000408596709 557060131 /nfs/dbraw/zinc/06/01/31/557060131.db2.gz TUMNLGJWOGQRSJ-STBIYBPSSA-N 0 0 426.516 5.734 40 30 IKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccccc1C ZINC000409315068 557060348 /nfs/dbraw/zinc/06/03/48/557060348.db2.gz MYJMLFQNHOQTOO-UHFFFAOYSA-N 0 0 449.352 5.093 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408597063 557060728 /nfs/dbraw/zinc/06/07/28/557060728.db2.gz VJPYNINLKRHAQD-MUFRIFMGSA-N 0 0 426.903 6.495 40 30 IKEBRN C=CCOc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1[C@H](C)CC ZINC000409326638 557061369 /nfs/dbraw/zinc/06/13/69/557061369.db2.gz MSKHLJGRMJOOKH-OAHLLOKOSA-N 0 0 440.341 5.120 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409326560 557061375 /nfs/dbraw/zinc/06/13/75/557061375.db2.gz CDLLMJBZEGAJDA-UYRXBGFRSA-N 0 0 431.966 5.709 40 30 IKEBRN CC(C)COc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1Br ZINC000408600858 557061416 /nfs/dbraw/zinc/06/14/16/557061416.db2.gz GQPYIWFMEZRIKC-WQRHYEAKSA-N 0 0 431.355 5.376 40 30 IKEBRN Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=Nc2cccc(Cl)c2C)NC1=O ZINC000409233173 557063207 /nfs/dbraw/zinc/06/32/07/557063207.db2.gz RMNZZZVMYZYFLL-KGENOOAVSA-N 0 0 425.985 5.839 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1OCC ZINC000409329132 557063378 /nfs/dbraw/zinc/06/33/78/557063378.db2.gz CXIUVVDAILTLSS-PDGQHHTCSA-N 0 0 449.956 5.848 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2OCc2ccccc2)SC1=S ZINC000409330799 557064920 /nfs/dbraw/zinc/06/49/20/557064920.db2.gz MVRWMTUBXWCHRC-JCMHNJIXSA-N 0 0 438.618 5.499 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc(OCC)c1OC ZINC000409333656 557066544 /nfs/dbraw/zinc/06/65/44/557066544.db2.gz UXPKDRSMJRRUKM-XSFVSMFZSA-N 0 0 425.575 5.537 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=S)N(C2CCCCC2)C1=O ZINC000409339973 557067525 /nfs/dbraw/zinc/06/75/25/557067525.db2.gz NUEGWBHCRQIENG-ATVHPVEESA-N 0 0 438.412 5.548 40 30 IKEBRN CC(C)COc1ccc(C=NNc2ccc(Br)cc2)cc1Br ZINC000408600980 557068616 /nfs/dbraw/zinc/06/86/16/557068616.db2.gz HZIPMPNGIDFGOA-KEBDBYFISA-N 0 0 426.152 5.692 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408601521 557068618 /nfs/dbraw/zinc/06/86/18/557068618.db2.gz KJYGWGMNPHCVLU-YBFXNURJSA-N 0 0 439.880 5.708 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc(OC)c1OC ZINC000409341374 557068699 /nfs/dbraw/zinc/06/86/99/557068699.db2.gz BHJIDDAFFPXJAO-WOJGMQOQSA-N 0 0 431.966 5.492 40 30 IKEBRN CCOc1cc(C#N)cc(Br)c1OCC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000408605233 557069421 /nfs/dbraw/zinc/06/94/21/557069421.db2.gz XRCKICHAVCTSNT-UHFFFAOYSA-N 0 0 444.112 5.044 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2cc(Br)c(OCCC)c(OCC)c2)SC1=S ZINC000409343484 557070928 /nfs/dbraw/zinc/07/09/28/557070928.db2.gz HTBZLCWWMFJLBL-RVDMUPIBSA-N 0 0 442.400 5.024 40 30 IKEBRN C=CCOc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1OCC ZINC000409344612 557071454 /nfs/dbraw/zinc/07/14/54/557071454.db2.gz HNXHBJMUCYWDKZ-DEDYPNTBSA-N 0 0 443.615 5.778 40 30 IKEBRN O=C(/C=C/c1ccc(OCc2cccc3ccccc32)c(Br)c1)c1ccccc1 ZINC000408625166 557071700 /nfs/dbraw/zinc/07/17/00/557071700.db2.gz WSIFEAMVAWSEKK-FYWRMAATSA-N 0 0 443.340 7.077 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(Br)cc2C)cc1OC ZINC000408614161 557073989 /nfs/dbraw/zinc/07/39/89/557073989.db2.gz ZFBWUMKAQDQVHE-UHFFFAOYSA-N 0 0 441.163 5.706 40 30 IKEBRN C=CCOc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c1 ZINC000409347693 557075862 /nfs/dbraw/zinc/07/58/62/557075862.db2.gz QSOWNIFVACKYOF-KGENOOAVSA-N 0 0 436.533 5.050 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409234922 557077034 /nfs/dbraw/zinc/07/70/34/557077034.db2.gz ASTKZPOHELEAHA-FVGZADTASA-N 0 0 447.579 6.474 40 30 IKEBRN CCCN1C(=O)S/C(=C/c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O ZINC000409234307 557077176 /nfs/dbraw/zinc/07/71/76/557077176.db2.gz ZDXRMXJDCNRKKD-YBFXNURJSA-N 0 0 425.579 5.352 40 30 IKEBRN C=CCc1cc(/C=C2/NC(=O)N(CCC)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409235829 557077283 /nfs/dbraw/zinc/07/72/83/557077283.db2.gz CDYMXUVPLJDTQT-PXLXIMEGSA-N 0 0 434.536 5.004 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(Br)ccc2OC)S/C1=N/c1ccc(F)cc1 ZINC000409236731 557078880 /nfs/dbraw/zinc/07/88/80/557078880.db2.gz HBJYXIIBZAGHKJ-CKAZZZDQSA-N 0 0 435.318 5.221 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccc(OC)cc2)N(CC)C1=O ZINC000409242186 557079728 /nfs/dbraw/zinc/07/97/28/557079728.db2.gz NJUDNLYDRBFQSG-XZKXACHFSA-N 0 0 432.545 5.871 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1/S/C(=N/c2ccc(OC)cc2)N(CC)C1=O ZINC000409241309 557079799 /nfs/dbraw/zinc/07/97/99/557079799.db2.gz RAJWNHVWFFBRCI-RWBSCQHUSA-N 0 0 442.540 5.484 40 30 IKEBRN COc1cc(N2CCCC2)ccc1/C=C1/SC(=Nc2cccc(Cl)c2C)NC1=O ZINC000409242260 557079830 /nfs/dbraw/zinc/07/98/30/557079830.db2.gz QFBHPHTVTRTFDC-UDWIEESQSA-N 0 0 427.957 5.149 40 30 IKEBRN CCCN1C(=O)S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc32)C1=O ZINC000409242379 557079835 /nfs/dbraw/zinc/07/98/35/557079835.db2.gz RMQSOQVNNPLJAM-OEAKJJBVSA-N 0 0 428.513 5.737 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=N\c3cccc(I)c3)cc2)cc1 ZINC000409242864 557079992 /nfs/dbraw/zinc/07/99/92/557079992.db2.gz WGTOVJWPRFAENB-HMAPJEAMSA-N 0 0 429.326 6.501 40 30 IKEBRN CCOc1cc(C)c(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1C(C)C ZINC000409246472 557080441 /nfs/dbraw/zinc/08/04/41/557080441.db2.gz BSWKQKCBCGIYNK-JHXFIANCSA-N 0 0 438.593 6.150 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3C)o2)S/C1=N/c1ccc(F)cc1 ZINC000409249474 557080626 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40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cccc3ccccc32)nnc1-c1cc2ccccc2o1 ZINC000409340312 557118570 /nfs/dbraw/zinc/11/85/70/557118570.db2.gz UWRVHTRRLLRMOK-UHFFFAOYSA-N 0 0 440.528 5.761 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)N1O[C@@]1(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000113824496 557118938 /nfs/dbraw/zinc/11/89/38/557118938.db2.gz RDGJBZXVLOXHPC-GHRGBZDBSA-N 0 0 449.060 5.116 40 30 IKEBRN C=CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1 ZINC000409341479 557120312 /nfs/dbraw/zinc/12/03/12/557120312.db2.gz BGGSHWWDORUWCZ-AWEZNQCLSA-N 0 0 447.391 5.554 40 30 IKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl ZINC000408702954 557120582 /nfs/dbraw/zinc/12/05/82/557120582.db2.gz WSDWNWJYGDHMKB-FQEVSTJZSA-N 0 0 448.346 5.387 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409341803 557120634 /nfs/dbraw/zinc/12/06/34/557120634.db2.gz BWQYRCBWZXIZNH-UHFFFAOYSA-N 0 0 438.940 5.570 40 30 IKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl ZINC000408702956 557120646 /nfs/dbraw/zinc/12/06/46/557120646.db2.gz WSDWNWJYGDHMKB-HXUWFJFHSA-N 0 0 448.346 5.387 40 30 IKEBRN CN(C)c1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4C#N)o3)SC2=S)cc1 ZINC000409342554 557121188 /nfs/dbraw/zinc/12/11/88/557121188.db2.gz DUPBAQWFOILEJB-FYJGNVAPSA-N 0 0 431.542 5.290 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(OC)c1OC ZINC000409342810 557121621 /nfs/dbraw/zinc/12/16/21/557121621.db2.gz FMICHDQIRGWDOJ-PXLXIMEGSA-N 0 0 447.581 5.991 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cc2cccc(OC)c2o1 ZINC000101191448 557122275 /nfs/dbraw/zinc/12/22/75/557122275.db2.gz GQEPPSXFKNUDJS-UHFFFAOYSA-N 0 0 448.548 5.234 40 30 IKEBRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@H](C)CO2 ZINC000001582871 557123788 /nfs/dbraw/zinc/12/37/88/557123788.db2.gz BHUDKWOFZIXCDR-NCGLGOMKSA-N 0 0 426.597 5.101 40 30 IKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)C=Cc2ccccc2)[C@H]1c1ccc(Cl)cc1 ZINC000408702497 557124122 /nfs/dbraw/zinc/12/41/22/557124122.db2.gz FLIZFGUQINFPRH-VTJDKEBTSA-N 0 0 439.939 5.133 40 30 IKEBRN Cc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 ZINC000408702515 557124159 /nfs/dbraw/zinc/12/41/59/557124159.db2.gz GTQCREIGRBTDDK-NRFANRHFSA-N 0 0 427.928 5.042 40 30 IKEBRN Cc1[nH]nc2c1C1=C(C(=O)[C@H](C(C)(C)C)C[C@H]1C(C)(C)C)[C@@H](c1ccc(N(C)C)cc1)N2 ZINC000221963539 557125478 /nfs/dbraw/zinc/12/54/78/557125478.db2.gz JVUXTMQBVQQAIR-DNVFCKCGSA-N 0 0 434.628 6.002 40 30 IKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc(N4CCOCC4)cc3)o2)c(Br)c1 ZINC000101736536 557126214 /nfs/dbraw/zinc/12/62/14/557126214.db2.gz SKBCPUQGFCYFRK-IWIPYMOSSA-N 0 0 425.326 5.605 40 30 IKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2cccc3ccccc32)c(OC)c1 ZINC000020761501 557126249 /nfs/dbraw/zinc/12/62/49/557126249.db2.gz HKJMCKMZQBTOHS-OGLMXYFKSA-N 0 0 426.516 5.560 40 30 IKEBRN COc1ccccc1CN/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000020761331 557126306 /nfs/dbraw/zinc/12/63/06/557126306.db2.gz AIPVCGDWIDVAAZ-ZVHZXABRSA-N 0 0 425.326 5.160 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000409345345 557126474 /nfs/dbraw/zinc/12/64/74/557126474.db2.gz LGPCBQGCNBLMKE-UHFFFAOYSA-N 0 0 438.940 5.570 40 30 IKEBRN COc1ccccc1CN/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000020761533 557126639 /nfs/dbraw/zinc/12/66/39/557126639.db2.gz UYQIXKSXRSPTIA-LGJNPRDNSA-N 0 0 445.346 5.713 40 30 IKEBRN C=CCOc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 ZINC000409346096 557126814 /nfs/dbraw/zinc/12/68/14/557126814.db2.gz MOYIUNQAXHDMBQ-LJAQVGFWSA-N 0 0 446.550 6.617 40 30 IKEBRN COc1ccccc1CN/N=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000020762134 557127026 /nfs/dbraw/zinc/12/70/26/557127026.db2.gz PBVSTSKKWILLIG-CCVNUDIWSA-N 0 0 438.358 6.129 40 30 IKEBRN COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)c1 ZINC000101857658 557127546 /nfs/dbraw/zinc/12/75/46/557127546.db2.gz DDSPIASNYTWIRP-BKBIYGFMSA-N 0 0 446.616 6.911 40 30 IKEBRN CC1(C)Cc2cc(/C=C3/S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)ccc2O1 ZINC000408710767 557129387 /nfs/dbraw/zinc/12/93/87/557129387.db2.gz JRGMDAAOIABRLC-YWQSIKCOSA-N 0 0 426.541 6.209 40 30 IKEBRN CN(C)c1ccc([N+](=O)[O-])cc1[C@@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000408720089 557130632 /nfs/dbraw/zinc/13/06/32/557130632.db2.gz XKSIZOXASLUTMG-SANMLTNESA-N 0 0 441.531 6.124 40 30 IKEBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=Nc3ccccc3C)NC2=O)o1 ZINC000408720669 557131278 /nfs/dbraw/zinc/13/12/78/557131278.db2.gz BVVRBGMUMFGAOU-NDENLUEZSA-N 0 0 435.461 5.063 40 30 IKEBRN COc1c(Br)cc(Br)cc1/C=C1/Sc2ccccc2C1=O ZINC000408719338 557133281 /nfs/dbraw/zinc/13/32/81/557133281.db2.gz CJUZSDWXAROJPI-VGOFMYFVSA-N 0 0 426.129 5.550 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)S2)c(C)c1 ZINC000408723863 557133538 /nfs/dbraw/zinc/13/35/38/557133538.db2.gz WSQMDXMGESHXPV-OEAKJJBVSA-N 0 0 448.975 6.427 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)c(C)c1 ZINC000408723864 557133558 /nfs/dbraw/zinc/13/35/58/557133558.db2.gz WYFPPRHCZQQSGJ-CIAFOILYSA-N 0 0 433.489 5.672 40 30 IKEBRN COc1c(O)ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c1[N+](=O)[O-] ZINC000408720984 557134857 /nfs/dbraw/zinc/13/48/57/557134857.db2.gz HQVDGJDUOVBQJF-LELCQQSUSA-N 0 0 447.472 5.118 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])c(C)cc4C)o3)S2)c(C)c1 ZINC000408721633 557135159 /nfs/dbraw/zinc/13/51/59/557135159.db2.gz VVUVWKUDKNQTTQ-JJFYIABZSA-N 0 0 447.516 5.980 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)cc4[N+](=O)[O-])o3)S2)c(C)c1 ZINC000408721048 557135165 /nfs/dbraw/zinc/13/51/65/557135165.db2.gz JBZVBPRRNVFRPQ-UUYOSTAYSA-N 0 0 447.516 5.980 40 30 IKEBRN COc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)S1 ZINC000408721246 557135180 /nfs/dbraw/zinc/13/51/80/557135180.db2.gz NKZKRIMTJNEMGQ-MTJSOVHGSA-N 0 0 449.488 5.372 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3cccc(OC)c3OC)sc2-c2ccccc2)cc1 ZINC000408722032 557136087 /nfs/dbraw/zinc/13/60/87/557136087.db2.gz CFADYGQYBGRRRA-WGOQTCKBSA-N 0 0 430.529 6.254 40 30 IKEBRN CCc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408722054 557136176 /nfs/dbraw/zinc/13/61/76/557136176.db2.gz CPXXRYCUATYRPP-CVKSISIWSA-N 0 0 431.492 6.837 40 30 IKEBRN CCOc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408722546 557136356 /nfs/dbraw/zinc/13/63/56/557136356.db2.gz KBSDAKOUNWJAAV-WGOQTCKBSA-N 0 0 443.528 6.843 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1 ZINC000408723309 557137045 /nfs/dbraw/zinc/13/70/45/557137045.db2.gz TUHZVSZQWPQDTH-VULFUBBASA-N 0 0 439.367 7.543 40 30 IKEBRN C=CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C ZINC000409360247 557137376 /nfs/dbraw/zinc/13/73/76/557137376.db2.gz MMOBAOYZIFCHLO-UHFFFAOYSA-N 0 0 438.622 5.245 40 30 IKEBRN C=CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccccc1C ZINC000409358891 557137399 /nfs/dbraw/zinc/13/73/99/557137399.db2.gz HQGREZYNKQBBTF-UHFFFAOYSA-N 0 0 442.585 5.076 40 30 IKEBRN COc1cc(/C=C2\Cc3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409368325 557138199 /nfs/dbraw/zinc/13/81/99/557138199.db2.gz YFAGGOQTYDIFPZ-VCHYOVAHSA-N 0 0 425.311 6.403 40 30 IKEBRN O=C(CO/N=C\c1ccc(OCc2ccccc2)c(Cl)c1)Nc1ccc(Cl)cc1 ZINC000409375765 557138927 /nfs/dbraw/zinc/13/89/27/557138927.db2.gz OYUGAESGMJBLSR-MXAYSNPKSA-N 0 0 429.303 5.562 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N/N=C/c3ccccc3)N(/N=C/c3ccccc3)C2=O)cc1 ZINC000103677642 557139270 /nfs/dbraw/zinc/13/92/70/557139270.db2.gz NSYKGOPTNMOUEH-FOPLWASLSA-N 0 0 440.528 5.036 40 30 IKEBRN COc1cc([C@H]2NC(=O)N(c3ccccc3)C(C)=C2C(C)=O)ccc1OCc1ccccc1 ZINC000408730858 557139268 /nfs/dbraw/zinc/13/92/68/557139268.db2.gz JNTQPKJCTFAYHT-AREMUKBSSA-N 0 0 442.515 5.408 40 30 IKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3Cl)c2-c2ccccc2)cc1 ZINC000408731284 557139296 /nfs/dbraw/zinc/13/92/96/557139296.db2.gz JKXUGOHUGSPIAC-RUMWWMSVSA-N 0 0 446.981 8.524 40 30 IKEBRN O=C(CO/N=C\c1ccc(OCc2ccccc2F)c(Cl)c1)Nc1ccc(Cl)cc1 ZINC000409377463 557139611 /nfs/dbraw/zinc/13/96/11/557139611.db2.gz IIWGOBGBTIBYPT-ZRGSRPPYSA-N 0 0 447.293 5.701 40 30 IKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cc(C)cc(C)c3)c2-c2ccccc2)cc1 ZINC000408732244 557139750 /nfs/dbraw/zinc/13/97/50/557139750.db2.gz PWEYZYXFCCARGL-STKMKYKTSA-N 0 0 440.590 8.487 40 30 IKEBRN Clc1ccccc1/N=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408732255 557139759 /nfs/dbraw/zinc/13/97/59/557139759.db2.gz QCWJCHPNFVOJQE-NJZRLIGZSA-N 0 0 432.954 8.215 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Cl)cc3Cl)c2)cc1C ZINC000409381487 557140325 /nfs/dbraw/zinc/14/03/25/557140325.db2.gz UQEMQYJLIBRFIM-ZMFRSBBQSA-N 0 0 427.331 6.378 40 30 IKEBRN CN(C)c1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 ZINC000409378430 557140351 /nfs/dbraw/zinc/14/03/51/557140351.db2.gz PCGGRRBJONWKJP-WGARJPEWSA-N 0 0 425.891 5.313 40 30 IKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=C/C(=O)c3ccccc3)c2-c2ccccc2)cc1 ZINC000408733012 557140763 /nfs/dbraw/zinc/14/07/63/557140763.db2.gz VAOMVURFDOFALI-ZBJSNUHESA-N 0 0 439.558 8.016 40 30 IKEBRN Cc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(C)n1-c1ccccc1C ZINC000409382528 557141292 /nfs/dbraw/zinc/14/12/92/557141292.db2.gz OLVZZGZXMAXEPC-MUFRIFMGSA-N 0 0 435.483 7.138 40 30 IKEBRN Cc1ccc(C(=O)/C=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000408729652 557141432 /nfs/dbraw/zinc/14/14/32/557141432.db2.gz BUGVGQOUFTUUBI-QURGRASLSA-N 0 0 439.558 8.016 40 30 IKEBRN COC(=O)c1ccc(Cn2cc(/C=N\c3ccccc3Br)c3ccccc32)o1 ZINC000409389300 557142272 /nfs/dbraw/zinc/14/22/72/557142272.db2.gz ASMYGNBEKAMLRW-MSXFZWOLSA-N 0 0 437.293 5.582 40 30 IKEBRN COC(=O)c1ccc(Cn2cc(/C=N/c3cccc(Br)c3)c3ccccc32)o1 ZINC000409390447 557142599 /nfs/dbraw/zinc/14/25/99/557142599.db2.gz FLJDAGCCECOQLD-WYMPLXKRSA-N 0 0 437.293 5.582 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)/C=C/c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000004721042 557142745 /nfs/dbraw/zinc/14/27/45/557142745.db2.gz SWTNFHMWIPZFLE-YWMJEKQSSA-N 0 0 448.647 6.860 40 30 IKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c(C)n1-c1ccc(C)cc1 ZINC000409401293 557143185 /nfs/dbraw/zinc/14/31/85/557143185.db2.gz AZUJGRDAPIGVRQ-UHFFFAOYSA-N 0 0 432.527 5.662 40 30 IKEBRN COc1cccc(-n2c(C)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)c2C)c1 ZINC000409401237 557143195 /nfs/dbraw/zinc/14/31/95/557143195.db2.gz AROVYBCZSNJHLE-UHFFFAOYSA-N 0 0 448.526 5.362 40 30 IKEBRN C=CCOc1c(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(Cl)cc1OC ZINC000409400998 557143238 /nfs/dbraw/zinc/14/32/38/557143238.db2.gz BMTRCAVVRFIOLF-UHFFFAOYSA-N 0 0 445.906 5.173 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2F)cc1 ZINC000409403019 557144296 /nfs/dbraw/zinc/14/42/96/557144296.db2.gz KFZWFOCQCODMET-UHFFFAOYSA-N 0 0 449.485 5.664 40 30 IKEBRN CC[C@@H](C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409402899 557144315 /nfs/dbraw/zinc/14/43/15/557144315.db2.gz GQPXVPPTFIXUSW-QGZVFWFLSA-N 0 0 442.475 5.031 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc(OCc2cccc(F)c2)c1 ZINC000409400636 557144324 /nfs/dbraw/zinc/14/43/24/557144324.db2.gz AGKWCUKHHSYAIR-UHFFFAOYSA-N 0 0 449.485 5.664 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(Sc2ccccc2)cc1 ZINC000409403195 557144337 /nfs/dbraw/zinc/14/43/37/557144337.db2.gz HCHHPWAWPGYBLQ-UHFFFAOYSA-N 0 0 433.536 6.097 40 30 IKEBRN CCc1ccc(-n2c(C)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)c2C)cc1 ZINC000409405195 557144345 /nfs/dbraw/zinc/14/43/45/557144345.db2.gz NETNEALFNSDDCZ-UHFFFAOYSA-N 0 0 446.554 5.916 40 30 IKEBRN CCCCCCCOc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2)cs1 ZINC000105450237 557144348 /nfs/dbraw/zinc/14/43/48/557144348.db2.gz KTRHQQGWHYFTTI-PCLIKHOPSA-N 0 0 428.001 7.259 40 30 IKEBRN CC[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409405163 557144398 /nfs/dbraw/zinc/14/43/98/557144398.db2.gz MSXUHDJOLXBLBR-QGZVFWFLSA-N 0 0 442.475 5.031 40 30 IKEBRN N#CCOc1c(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1Cl ZINC000409401880 557144421 /nfs/dbraw/zinc/14/44/21/557144421.db2.gz FNYUKODDVNCKEH-UHFFFAOYSA-N 0 0 449.297 5.155 40 30 IKEBRN Cc1cc(C=N/N=C/c2cc(C)n(-c3ccc(F)cc3)c2C)c(C)n1-c1ccc(F)cc1 ZINC000408737521 557144777 /nfs/dbraw/zinc/14/47/77/557144777.db2.gz CMTZQSIILIXZMB-CTPKECNBSA-N 0 0 430.502 6.233 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000408737460 557144801 /nfs/dbraw/zinc/14/48/01/557144801.db2.gz AXCPMZGVMMFPGE-FSJBWODESA-N 0 0 444.260 5.521 40 30 IKEBRN CCCCCCCOc1ccc(/C=N/c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000408737112 557144804 /nfs/dbraw/zinc/14/48/04/557144804.db2.gz JRCZVAPBNBBUFU-JJKYIXSRSA-N 0 0 437.587 7.639 40 30 IKEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OC ZINC000409406651 557144979 /nfs/dbraw/zinc/14/49/79/557144979.db2.gz YBHYRMVCUZIOPJ-UHFFFAOYSA-N 0 0 433.895 5.006 40 30 IKEBRN Cc1ccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)cc1 ZINC000408737672 557145097 /nfs/dbraw/zinc/14/50/97/557145097.db2.gz UJPJXHQLGJLPSI-VULFUBBASA-N 0 0 447.947 6.437 40 30 IKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000408738027 557146156 /nfs/dbraw/zinc/14/61/56/557146156.db2.gz IBBIAUDJKMNKQR-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN Cc1cc(/C=N/c2ccc(I)c(C)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738149 557146325 /nfs/dbraw/zinc/14/63/25/557146325.db2.gz QRWYQJVWNLGCED-FSJBWODESA-N 0 0 448.735 6.411 40 30 IKEBRN Cc1cc(/C=N/N(c2ccccc2)c2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000408738183 557146608 /nfs/dbraw/zinc/14/66/08/557146608.db2.gz RQCKIOBVWJUFEI-OVVQPSECSA-N 0 0 444.376 7.029 40 30 IKEBRN CC(C)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000408739404 557147321 /nfs/dbraw/zinc/14/73/21/557147321.db2.gz BNFVEEICJMHRIR-GZZLJNBRSA-N 0 0 440.590 8.685 40 30 IKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 ZINC000408738978 557147944 /nfs/dbraw/zinc/14/79/44/557147944.db2.gz QSZAMDYVHBPUOK-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)c(Cl)c3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000408738897 557148151 /nfs/dbraw/zinc/14/81/51/557148151.db2.gz PSTRSVMBZFHNRD-NHDPSOOVSA-N 0 0 439.943 6.087 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)cc1 ZINC000408739833 557148710 /nfs/dbraw/zinc/14/87/10/557148710.db2.gz AVRDSXMYMPNBCP-BKUYFWCQSA-N 0 0 449.488 5.454 40 30 IKEBRN Cc1cc(C=NC2C=C[C@@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740700 557148996 /nfs/dbraw/zinc/14/89/96/557148996.db2.gz LUTAOULZXCBFKV-KZAQHKBISA-N 0 0 449.554 5.344 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(C)c(C)c1 ZINC000408740483 557149135 /nfs/dbraw/zinc/14/91/35/557149135.db2.gz KYORPCBQORNNPK-ZVHZXABRSA-N 0 0 429.589 6.219 40 30 IKEBRN Cc1cc(C=NC2C=C[C@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740702 557149162 /nfs/dbraw/zinc/14/91/62/557149162.db2.gz LUTAOULZXCBFKV-PFSUJMEBSA-N 0 0 449.554 5.344 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Br)cc1 ZINC000408741158 557149383 /nfs/dbraw/zinc/14/93/83/557149383.db2.gz OEZNOMPVIRZOIP-DHRITJCHSA-N 0 0 438.394 6.419 40 30 IKEBRN CCOc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000408741994 557149718 /nfs/dbraw/zinc/14/97/18/557149718.db2.gz UDJOPHIXRIUNIR-AWSUPERCSA-N 0 0 442.562 7.961 40 30 IKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=Nc4cccc(C)c4)NC3=O)c2C)cc1 ZINC000408742776 557150882 /nfs/dbraw/zinc/15/08/82/557150882.db2.gz PWSNPWPMRIFVSL-HYARGMPZSA-N 0 0 445.544 5.081 40 30 IKEBRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@@H](C)CO2 ZINC000006437800 557151559 /nfs/dbraw/zinc/15/15/59/557151559.db2.gz BHUDKWOFZIXCDR-FGAKPIPZSA-N 0 0 426.597 5.101 40 30 IKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408748893 557156446 /nfs/dbraw/zinc/15/64/46/557156446.db2.gz CPYVUZKQMRXKPR-VROXFSQNSA-N 0 0 447.278 5.330 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(OC)c1OC ZINC000106687391 557157247 /nfs/dbraw/zinc/15/72/47/557157247.db2.gz ZGFCCPZXPAEKQD-UNOMPAQXSA-N 0 0 429.925 5.322 40 30 IKEBRN C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000106721690 557159188 /nfs/dbraw/zinc/15/91/88/557159188.db2.gz MGVREIHQRGCUET-ODLFYWEKSA-N 0 0 448.327 5.251 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC)c(OCc4ccccc4)c3)S2)cc1 ZINC000408752352 557160721 /nfs/dbraw/zinc/16/07/21/557160721.db2.gz DSPLWHKXNJIGBH-HAHDFKILSA-N 0 0 446.528 5.174 40 30 IKEBRN Cc1ccc(COc2c(Cl)cc(CN=Nc3ccc([N+](=O)[O-])cn3)cc2Cl)cc1 ZINC000408749875 557161003 /nfs/dbraw/zinc/16/10/03/557161003.db2.gz JTUBHVLHDLAIII-VROXFSQNSA-N 0 0 431.279 5.630 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1OCC ZINC000106787880 557161739 /nfs/dbraw/zinc/16/17/39/557161739.db2.gz YPRNJTWJJAZWJA-JWGURIENSA-N 0 0 439.533 5.074 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(Cl)c(OCC#N)c(Cl)c3)S2)cc1 ZINC000408753606 557164521 /nfs/dbraw/zinc/16/45/21/557164521.db2.gz GUERVOQCJPXSHX-BOPFTXTBSA-N 0 0 432.332 5.350 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccccc2OCc2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000408753972 557165184 /nfs/dbraw/zinc/16/51/84/557165184.db2.gz CSHXWWAJUBAMPB-MFKUBSTISA-N 0 0 442.431 5.681 40 30 IKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3c[nH]c4ccccc34)S2)cc(C)c1Br ZINC000408753885 557165200 /nfs/dbraw/zinc/16/52/00/557165200.db2.gz KVZCGLOQXPZRDA-MFOYZWKCSA-N 0 0 426.339 5.439 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)S2)cc1 ZINC000408754372 557165887 /nfs/dbraw/zinc/16/58/87/557165887.db2.gz MZADCRJWLKSBTN-HAHDFKILSA-N 0 0 432.520 5.859 40 30 IKEBRN Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2cccc(OCc3ccccc3)c2)S1 ZINC000408754588 557166296 /nfs/dbraw/zinc/16/62/96/557166296.db2.gz WOZVIBFJKZUTSY-HYARGMPZSA-N 0 0 445.500 5.374 40 30 IKEBRN Clc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)cc1 ZINC000008811590 557166739 /nfs/dbraw/zinc/16/67/39/557166739.db2.gz ACTHBCQMAXXCBR-MUFRIFMGSA-N 0 0 435.354 6.849 40 30 IKEBRN C=CCOc1c(CC=C)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408757601 557169796 /nfs/dbraw/zinc/16/97/96/557169796.db2.gz ATGWMWRRNOLZFJ-JWGURIENSA-N 0 0 434.561 5.443 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408758510 557172604 /nfs/dbraw/zinc/17/26/04/557172604.db2.gz LIKQYJJWWKIVLT-UUYOSTAYSA-N 0 0 435.980 6.256 40 30 IKEBRN CCc1ccc(N=C2NC(=O)C(=CC3=CC(=NNc4ccccc4)C=CC3=O)S2)cc1 ZINC000408762292 557176644 /nfs/dbraw/zinc/17/66/44/557176644.db2.gz JWKCNUGDRWTLPN-KXXSZAMISA-N 0 0 428.517 6.262 40 30 IKEBRN COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)cc2)cc1 ZINC000408762611 557177027 /nfs/dbraw/zinc/17/70/27/557177027.db2.gz PROHPSMRADSYSX-JCMHNJIXSA-N 0 0 444.512 5.114 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)S2)cc1 ZINC000408759940 557177994 /nfs/dbraw/zinc/17/79/94/557177994.db2.gz OOJVNBQPFHBXCM-FMCGGJTJSA-N 0 0 445.544 5.277 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(N(C)C)cc4)c3C)S2)cc1 ZINC000408763491 557180075 /nfs/dbraw/zinc/18/00/75/557180075.db2.gz PGURZVUXZVGASU-JLPGSUDCSA-N 0 0 444.604 5.614 40 30 IKEBRN CCOc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1 ZINC000408764559 557182495 /nfs/dbraw/zinc/18/24/95/557182495.db2.gz XMEVCUVTEGBZGI-BOPFTXTBSA-N 0 0 431.355 5.356 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)S2)cc1 ZINC000408764903 557182779 /nfs/dbraw/zinc/18/27/79/557182779.db2.gz NSAPTUQCEGEPIB-HMAPJEAMSA-N 0 0 446.528 5.496 40 30 IKEBRN c1ccc(Nc2nc(N=NCc3cccc4ccccc43)nc(Nc3ccccc3)n2)cc1 ZINC000009296446 557183685 /nfs/dbraw/zinc/18/36/85/557183685.db2.gz DAMCVOWUYMLPHB-OVVQPSECSA-N 0 0 431.503 5.958 40 30 IKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccc(N(C)C)cc3)S2)cc(C)c1Br ZINC000408765258 557185603 /nfs/dbraw/zinc/18/56/03/557185603.db2.gz OQZCDOGEXNMGBO-BOPFTXTBSA-N 0 0 430.371 5.024 40 30 IKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S1 ZINC000408766304 557188722 /nfs/dbraw/zinc/18/87/22/557188722.db2.gz UERDHRXZRUFAJN-PDGQHHTCSA-N 0 0 426.950 6.284 40 30 IKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3c(F)cccc3Cl)S2)cc(C)c1Br ZINC000408766627 557189011 /nfs/dbraw/zinc/18/90/11/557189011.db2.gz VZKVEOSKLDDTMV-NVNXTCNLSA-N 0 0 439.737 5.750 40 30 IKEBRN C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC ZINC000408766845 557189050 /nfs/dbraw/zinc/18/90/50/557189050.db2.gz HKFRNQMSJLFUIP-GJISQHIDSA-N 0 0 438.593 5.375 40 30 IKEBRN Cc1[nH]c2ccccc2c1/C=C1\SC(=Nc2cc(C)c(Br)c(C)c2)NC1=O ZINC000408766807 557189063 /nfs/dbraw/zinc/18/90/63/557189063.db2.gz SBCNVCSCVWEJSR-ZDLGFXPLSA-N 0 0 440.366 5.747 40 30 IKEBRN CC(=C\c1ccccc1)/C=C1\SC(=Nc2cc(C)c(Br)c(C)c2)NC1=O ZINC000408767598 557189202 /nfs/dbraw/zinc/18/92/02/557189202.db2.gz YWDVURWYRQZZQF-LDFNIPPCSA-N 0 0 427.367 5.904 40 30 IKEBRN Cc1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c(C)n1-c1cccc(Cl)c1 ZINC000408767542 557189317 /nfs/dbraw/zinc/18/93/17/557189317.db2.gz YJCSMLMMNNROGK-MYYYXRDXSA-N 0 0 437.952 5.213 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408772207 557194881 /nfs/dbraw/zinc/19/48/81/557194881.db2.gz FHAPDWNQDARUAL-MOHJPFBDSA-N 0 0 435.552 6.344 40 30 IKEBRN CC1(C)CC(=O)C(C(c2ccc(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000096307059 557196721 /nfs/dbraw/zinc/19/67/21/557196721.db2.gz YIRIPNZLPQQTDW-UHFFFAOYSA-N 0 0 437.363 6.479 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1cccnc1 ZINC000408774253 557196860 /nfs/dbraw/zinc/19/68/60/557196860.db2.gz BRGVVAJDUFGKCC-ZDLGFXPLSA-N 0 0 443.359 5.688 40 30 IKEBRN CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 ZINC000408774389 557196895 /nfs/dbraw/zinc/19/68/95/557196895.db2.gz VQENDKRBUJOSII-LMSRTUJASA-N 0 0 441.556 5.299 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)S2)cc1C ZINC000408775045 557197723 /nfs/dbraw/zinc/19/77/23/557197723.db2.gz XXGFTMOGVCWNHM-NDENLUEZSA-N 0 0 446.488 5.291 40 30 IKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)cc1Cl ZINC000408775206 557197735 /nfs/dbraw/zinc/19/77/35/557197735.db2.gz FPOLCQZWSQGBHH-YBEGLDIGSA-N 0 0 437.746 5.393 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/NCc2ccccc2Cl)cc1OCC ZINC000008811948 557197952 /nfs/dbraw/zinc/19/79/52/557197952.db2.gz XNVLSGYXKHMATC-WSDLNYQXSA-N 0 0 425.754 5.414 40 30 IKEBRN Cc1cc(/C=N\c2ccc(I)cc2C)c(C)n1-c1ccc(F)cc1 ZINC000408775978 557200128 /nfs/dbraw/zinc/20/01/28/557200128.db2.gz LMZHMUJJYKZBOQ-FMCGGJTJSA-N 0 0 432.280 5.897 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1cccnc1 ZINC000408779324 557201417 /nfs/dbraw/zinc/20/14/17/557201417.db2.gz VCZMCVUXGAUHTP-OCKHKDLRSA-N 0 0 443.359 5.688 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(C)cc3Br)c2C)cc1 ZINC000408780576 557202205 /nfs/dbraw/zinc/20/22/05/557202205.db2.gz FKAJHAAEHJFRBG-QFEZKATASA-N 0 0 439.353 6.092 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Cl ZINC000408781919 557203870 /nfs/dbraw/zinc/20/38/70/557203870.db2.gz CZGJJYPWQXJXHJ-SARUNTBLSA-N 0 0 433.360 5.167 40 30 IKEBRN Cc1cc(/C=N/c2ccccc2C(C)C)c(C)n1-c1ccc(I)cc1 ZINC000408782187 557204613 /nfs/dbraw/zinc/20/46/13/557204613.db2.gz IKSCDCGUDNREPX-ZVHZXABRSA-N 0 0 442.344 6.573 40 30 IKEBRN COc1ccc(C/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)cc1 ZINC000408782263 557204954 /nfs/dbraw/zinc/20/49/54/557204954.db2.gz GNKFSKGMHKZOTA-UCQKPKSFSA-N 0 0 444.316 5.326 40 30 IKEBRN CCOc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1OC ZINC000408787251 557205977 /nfs/dbraw/zinc/20/59/77/557205977.db2.gz VVVCSQHIBFBAFT-QRQIAZFYSA-N 0 0 448.588 5.715 40 30 IKEBRN CCOc1cccc(/N=C\c2cc(C)n(-c3ccc(I)cc3)c2C)c1 ZINC000408783678 557206987 /nfs/dbraw/zinc/20/69/87/557206987.db2.gz OIOIYQUBPOBGBC-UCQKPKSFSA-N 0 0 444.316 5.848 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1O ZINC000408783827 557207041 /nfs/dbraw/zinc/20/70/41/557207041.db2.gz RMSKLFRULTZDMJ-QPEQYQDCSA-N 0 0 429.712 5.253 40 30 IKEBRN CC(C)(C)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000408784786 557208061 /nfs/dbraw/zinc/20/80/61/557208061.db2.gz VBPIRMMCPDJNOK-MIXAMLLLSA-N 0 0 430.617 6.605 40 30 IKEBRN Cc1cc(/C=N/c2ccc(F)c(C)c2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408785748 557208642 /nfs/dbraw/zinc/20/86/42/557208642.db2.gz BMLAAYKGFFCWKW-WYMPLXKRSA-N 0 0 446.307 6.205 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C4CCCCC4)cc3)c2C)cc1 ZINC000408788801 557209651 /nfs/dbraw/zinc/20/96/51/557209651.db2.gz HLLUPZVYBMCWJR-VUTHCHCSSA-N 0 0 428.576 7.069 40 30 IKEBRN CC(=O)Oc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000408789149 557209977 /nfs/dbraw/zinc/20/99/77/557209977.db2.gz JVGHTVPWHBPAIL-YUMHPJSZSA-N 0 0 432.545 5.233 40 30 IKEBRN O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)Nc1cccc(Cl)c1 ZINC000408805315 557217990 /nfs/dbraw/zinc/21/79/90/557217990.db2.gz GDSOTGDEUKFPAO-ROTLSHHCSA-N 0 0 433.722 6.415 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)NC1CCCCC1 ZINC000408807833 557219344 /nfs/dbraw/zinc/21/93/44/557219344.db2.gz HWWXNPFFCWJSKB-USHMODERSA-N 0 0 428.532 6.057 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000408803930 557220393 /nfs/dbraw/zinc/22/03/93/557220393.db2.gz UWWBGWMPHRTUEB-CEUNXORHSA-N 0 0 436.511 6.555 40 30 IKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)SC1Nc1ccccc1 ZINC000408809182 557220901 /nfs/dbraw/zinc/22/09/01/557220901.db2.gz QXCVSJPRFOQMCM-XDQGBWCSSA-N 0 0 432.569 5.643 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])c(Cl)c3)c2C)SC1=S ZINC000408809745 557221304 /nfs/dbraw/zinc/22/13/04/557221304.db2.gz HVSJYFYBQCICIO-MFOYZWKCSA-N 0 0 433.942 5.043 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=N/c2sc3c(c2C(=O)OCC)CCCC3)cc1OCC ZINC000408811189 557221644 /nfs/dbraw/zinc/22/16/44/557221644.db2.gz MHKVDFWTBIRJTH-AFUMVMLFSA-N 0 0 445.968 5.618 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)SC1=S ZINC000408813268 557223323 /nfs/dbraw/zinc/22/33/23/557223323.db2.gz OZMOLOQZCPECKE-WQRHYEAKSA-N 0 0 447.423 5.552 40 30 IKEBRN O=C1C[C@@H](c2ccco2)CC2=C1C(c1ccccc1)C1=C(C[C@H](c3ccco3)CC1=O)N2 ZINC000022469366 557223674 /nfs/dbraw/zinc/22/36/74/557223674.db2.gz WYYCOWWTNRYIAQ-ROUUACIJSA-N 0 0 425.484 5.361 40 30 IKEBRN Cc1sc(/N=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C#N)c1C ZINC000408814064 557227167 /nfs/dbraw/zinc/22/71/67/557227167.db2.gz RCHHFFJKSYGCKZ-LUOAPIJWSA-N 0 0 438.383 7.297 40 30 IKEBRN C=CCn1c(C)c(/C=C2\SC(=Nc3cc(C)c(C)c([N+](=O)[O-])c3)NC2=O)c2ccccc21 ZINC000408818206 557231021 /nfs/dbraw/zinc/23/10/21/557231021.db2.gz ZRIKWWKECVZOAA-XKZIYDEJSA-N 0 0 446.532 5.552 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1 ZINC000408818899 557231619 /nfs/dbraw/zinc/23/16/19/557231619.db2.gz ZEYFUKULAFWTCK-ZMOGYAJESA-N 0 0 449.359 5.193 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)S2)cc1 ZINC000408817690 557231979 /nfs/dbraw/zinc/23/19/79/557231979.db2.gz YGLCRRUMEFSSSE-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN Nc1c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F ZINC000100044629 557238847 /nfs/dbraw/zinc/23/88/47/557238847.db2.gz CMRZEKXRBBEZIP-UHFFFAOYSA-N 0 0 433.114 6.363 40 30 IKEBRN CCCCCCCc1ccc(C(=O)/C=C/C(=O)c2ccc(CCCCCCC)cc2)cc1 ZINC000100071627 557239894 /nfs/dbraw/zinc/23/98/94/557239894.db2.gz HTPWEUOJWGEIBP-WCWDXBQESA-N 0 0 432.648 8.334 40 30 IKEBRN CCOc1ccc(C(=O)C2=C(SCC)S[C@@H](c3ccc(Cl)cc3)CC2=O)cc1 ZINC000026896900 557250543 /nfs/dbraw/zinc/25/05/43/557250543.db2.gz XUOCAUYMKJWQGK-LJQANCHMSA-N 0 0 432.994 6.333 40 30 IKEBRN Cc1cccc2c1N(C)C(=O)/C2=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000100259675 557256042 /nfs/dbraw/zinc/25/60/42/557256042.db2.gz VPOZDOUCRJMOSM-RCBTVRNASA-N 0 0 425.513 5.150 40 30 IKEBRN O=C1/C(=C\c2cccc(C(F)(F)F)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000100374629 557259219 /nfs/dbraw/zinc/25/92/19/557259219.db2.gz BUQUYMMABQGASJ-JNHDIHBKSA-N 0 0 428.435 6.103 40 30 IKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@@H]2c1ccccc1 ZINC000100421493 557260447 /nfs/dbraw/zinc/26/04/47/557260447.db2.gz FQNBGXGKYSKSJR-YKSBVNFPSA-N 0 0 433.511 5.536 40 30 IKEBRN COc1ccc(/N=C2\S/C(=C/c3sccc3C)C(=O)N2c2ccc(OC)cc2)cc1 ZINC000408840040 557260688 /nfs/dbraw/zinc/26/06/88/557260688.db2.gz AOBPSYVXASFTRA-NFEGURHZSA-N 0 0 436.558 5.882 40 30 IKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 ZINC000408844922 557265840 /nfs/dbraw/zinc/26/58/40/557265840.db2.gz JCUALCWFQCFLGI-ZRLIEKQZSA-N 0 0 445.415 7.176 40 30 IKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N1CC ZINC000408848167 557271272 /nfs/dbraw/zinc/27/12/72/557271272.db2.gz PUKHCFLKBPUGMH-UYLZVCPASA-N 0 0 435.376 5.885 40 30 IKEBRN COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]23C)cc1OC ZINC000100870602 557277692 /nfs/dbraw/zinc/27/76/92/557277692.db2.gz KJCBMTPITIADGL-XMCCLMIESA-N 0 0 432.564 5.741 40 30 IKEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1cccc2ccccc21 ZINC000100879388 557277701 /nfs/dbraw/zinc/27/77/01/557277701.db2.gz AIMXGCGQNSPXDQ-RTGZZVAKSA-N 0 0 449.963 5.640 40 30 IKEBRN CCCCCCCCCCCC[NH2+][C@@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000100908729 557278193 /nfs/dbraw/zinc/27/81/93/557278193.db2.gz NFCCBECISXFJHJ-FQEVSTJZSA-N 0 0 441.012 5.641 40 30 IKEBRN CCc1ccc(/N=C2\S/C(=C\c3ccccc3O)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000101007695 557281102 /nfs/dbraw/zinc/28/11/02/557281102.db2.gz NHURAULZIVKKES-HXNPFYCNSA-N 0 0 428.557 6.326 40 30 IKEBRN C=C(CC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](O)C4(C)C)C(C)C ZINC000004097817 557281393 /nfs/dbraw/zinc/28/13/93/557281393.db2.gz BDHQMRXFDYJGII-UEBIAWITSA-N 0 0 440.756 8.415 40 30 biogenic,in-vitro IKEBRN CCCCCCCCCCCCNS(=O)(=O)NCCCCCCCCCCCC ZINC000101464270 557292931 /nfs/dbraw/zinc/29/29/31/557292931.db2.gz RSWCXNMRPXFJNP-UHFFFAOYSA-N 0 0 432.759 7.252 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4s3)sc2C1 ZINC000014067162 557294122 /nfs/dbraw/zinc/29/41/22/557294122.db2.gz GTWRDYRVVYGAOI-ZDUSSCGKSA-N 0 0 441.647 6.111 40 30 IKEBRN CCCCCCCCCCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O ZINC000102241484 557300527 /nfs/dbraw/zinc/30/05/27/557300527.db2.gz JAUUDYFIDJVFDG-UHFFFAOYSA-N 0 0 435.616 6.374 40 30 IKEBRN Cc1ccc(S(=O)(=O)[N-]c2ccccc2/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000102273113 557300922 /nfs/dbraw/zinc/30/09/22/557300922.db2.gz VMZNBUPNEJEWDT-KALUYTGESA-N 0 0 440.393 5.242 40 30 IKEBRN O=C1[C@H](Cc2ccc(F)cc2)S/C(=N\N=C/c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000102972353 557311200 /nfs/dbraw/zinc/31/12/00/557311200.db2.gz DCUGRKVJPDVMFU-XFFJZQRISA-N 0 0 441.915 5.149 40 30 IKEBRN CCCCOC(=O)C(O)=C(C[C@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C ZINC000102977263 557311297 /nfs/dbraw/zinc/31/12/97/557311297.db2.gz ICLAEGNEUPSKPX-BJKOFHAPSA-N 0 0 448.559 5.036 40 30 IKEBRN CCCCCCCCOc1ccc(C(=O)Oc2ccc(/C(CCCC)=N/O)cc2)cc1 ZINC000103012441 557311879 /nfs/dbraw/zinc/31/18/79/557311879.db2.gz CHYHMZBUHUCALD-IMVLJIQESA-N 0 0 425.569 7.014 40 30 IKEBRN CCOc1ccc(/N=C2\SCCCN2C(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)cc1 ZINC000103032958 557312415 /nfs/dbraw/zinc/31/24/15/557312415.db2.gz HKSMESIJIHQPHN-HWKJUCOASA-N 0 0 447.604 5.958 40 30 IKEBRN CCOc1c(Cl)cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl ZINC000409171679 557313312 /nfs/dbraw/zinc/31/33/12/557313312.db2.gz DWXUNDPMHKSHRD-RQZCQDPDSA-N 0 0 433.316 5.500 40 30 IKEBRN CCc1ccc2oc(-c3cc(/N=C\C=C\c4ccc(Br)cc4)ccc3O)nc2c1 ZINC000103302562 557314685 /nfs/dbraw/zinc/31/46/85/557314685.db2.gz WYCAJGGUYHLPFJ-UTIYYKKGSA-N 0 0 447.332 6.941 40 30 IKEBRN O=C1C=C(Cl)[C@@H]2CC(Nc3ccccc3)=C3C(=O)C=C(Cl)c4cc(Cl)c1c2c43 ZINC000103693179 557317938 /nfs/dbraw/zinc/31/79/38/557317938.db2.gz DKTMGOWAHFWZTD-AMXDTQDGSA-N 0 0 428.702 5.998 40 30 IKEBRN CC(=CN=Nc1nnc(N=NC=C(C)Cc2ccccc2)c2ccccc21)Cc1ccccc1 ZINC000104079210 557320089 /nfs/dbraw/zinc/32/00/89/557320089.db2.gz BPCYNUABEPJTQI-IPEMWYRCSA-N 0 0 446.558 6.632 40 30 IKEBRN CCCCCCCCCCOP(OCCCCCCCCCC)Oc1ccccc1 ZINC000104129595 557320883 /nfs/dbraw/zinc/32/08/83/557320883.db2.gz NMAKPIATXQEXBT-UHFFFAOYSA-N 0 0 438.633 9.607 40 30 IKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OCCSCCOC(C)=O ZINC000104137714 557320922 /nfs/dbraw/zinc/32/09/22/557320922.db2.gz IUZMMIWMHAGIMN-ZHACJKMWSA-N 0 0 428.679 6.863 40 30 IKEBRN CCCCCCCCCCCCCCOc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000104134620 557321025 /nfs/dbraw/zinc/32/10/25/557321025.db2.gz YQNXWVXCWPWDSJ-UHFFFAOYSA-N 0 0 443.653 8.826 40 30 IKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OCCCCCCCCCCC ZINC000104136876 557321073 /nfs/dbraw/zinc/32/10/73/557321073.db2.gz XUXHXFXVUACXPI-FOCLMDBBSA-N 0 0 436.765 10.098 40 30 IKEBRN CCCCCCCCCCCCCCOc1ccc(C(=S)N2CCOCC2)cc1OC ZINC000104140653 557321389 /nfs/dbraw/zinc/32/13/89/557321389.db2.gz JLTPKERYUVTMEI-UHFFFAOYSA-N 0 0 449.701 6.783 40 30 IKEBRN Cc1sc2ncnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)c2c1C ZINC000013454042 557321610 /nfs/dbraw/zinc/32/16/10/557321610.db2.gz JETLZMWXRUDZGC-SNVBAGLBSA-N 0 0 428.608 5.097 40 30 IKEBRN CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCC[C@@H]1C1CCCCC1 ZINC000104254079 557323349 /nfs/dbraw/zinc/32/33/49/557323349.db2.gz JIKPIFVOTIEWIG-FQLXRVMXSA-N 0 0 448.776 9.930 40 30 IKEBRN COc1ccc(-c2c(-c3ccccc3)oc(/N=C\c3ccccc3)c2-c2ccccc2)cc1 ZINC000104246017 557323422 /nfs/dbraw/zinc/32/34/22/557323422.db2.gz IWXOJESVRTVDCD-YQYKVWLJSA-N 0 0 429.519 8.040 40 30 IKEBRN COc1ccccc1NC(=S)NN=CC1=CC(=NNc2ccccc2)C=C(OC)C1=O ZINC000104276407 557323633 /nfs/dbraw/zinc/32/36/33/557323633.db2.gz PKAMBVZMTDOTKZ-MKRFAJQFSA-N 0 0 435.509 5.145 40 30 IKEBRN CCCCCCCCCCCCC/C=C\[C@H]1[C@H](C(=O)OC)N1[S@@](=O)c1ccc(C)cc1 ZINC000104316208 557324843 /nfs/dbraw/zinc/32/48/43/557324843.db2.gz AZKUUQNZEQUQCQ-QBKNHIHOSA-N 0 0 447.685 6.501 40 30 IKEBRN CCCCCCCCCCCCC/C=C\[C@@H]1[C@H](C(=O)OC)N1[S@@](=O)c1ccc(C)cc1 ZINC000104316199 557324857 /nfs/dbraw/zinc/32/48/57/557324857.db2.gz AZKUUQNZEQUQCQ-HKQJALDSSA-N 0 0 447.685 6.501 40 30 IKEBRN O=C(c1ccccc1)N1C(=O)N(c2ccccc2)C(=N\c2ccccc2)/C1=N\c1ccccc1 ZINC000104311528 557324915 /nfs/dbraw/zinc/32/49/15/557324915.db2.gz HXWMFCLWDJULMR-ZUSIYWPSSA-N 0 0 444.494 6.229 40 30 IKEBRN CCCCCCCCCCCCCCCCCC1=CCCN1C(=S)Nc1ccccc1 ZINC000104342843 557325570 /nfs/dbraw/zinc/32/55/70/557325570.db2.gz ZUDLMEZKRRPTRS-UHFFFAOYSA-N 0 0 442.757 9.235 40 30 IKEBRN CCCCCCCCCCC(=O)N([C@@H]1C[C@H](C)CC(C)(C)C1)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000104359680 557325767 /nfs/dbraw/zinc/32/57/67/557325767.db2.gz DQHFFAOTHZXUGF-XDZVQPMWSA-N 0 0 433.765 8.775 40 30 IKEBRN C=CCOC[C@H](COC(=O)CCCCCCCCCCCCCCCCC)OCC=C ZINC000104371683 557325774 /nfs/dbraw/zinc/32/57/74/557325774.db2.gz GCJWKOVZAOVXKZ-AREMUKBSSA-N 0 0 438.693 7.565 40 30 IKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1O ZINC000104364971 557325847 /nfs/dbraw/zinc/32/58/47/557325847.db2.gz WNACIALNKLPCHY-WEMUOSSPSA-N 0 0 447.733 7.452 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(OC)c(O)c1 ZINC000104360306 557325853 /nfs/dbraw/zinc/32/58/53/557325853.db2.gz NLBXMXYPTOTMPA-MEFGMAGPSA-N 0 0 449.705 6.680 40 30 IKEBRN CCCCCCCCCCCCNC(=S)N/N=C/c1cc(Br)ccc1O ZINC000104380312 557326109 /nfs/dbraw/zinc/32/61/09/557326109.db2.gz KVWDSZNHQQQTSW-XQNSMLJCSA-N 0 0 442.467 5.874 40 30 IKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(F)cc1 ZINC000104376620 557326142 /nfs/dbraw/zinc/32/61/42/557326142.db2.gz JTZGJUSGXZNYJD-FAJYDZGRSA-N 0 0 449.724 7.885 40 30 IKEBRN CCCCCCCCC1(CCCCCCCC)N=C(c2ccccc2)C(OC)(OC)N1O ZINC000104774591 557328148 /nfs/dbraw/zinc/32/81/48/557328148.db2.gz DGFFKTDJABPCRD-UHFFFAOYSA-N 0 0 445.668 7.281 40 30 IKEBRN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(Cl)c1 ZINC000014271486 557332089 /nfs/dbraw/zinc/33/20/89/557332089.db2.gz BMOGXRCRGOJKIF-CYBMUJFWSA-N 0 0 446.041 5.859 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)Cc3ccc(Cl)cc3)sc2C1 ZINC000014271545 557332404 /nfs/dbraw/zinc/33/24/04/557332404.db2.gz WOMCXKWLHUQIGQ-AWEZNQCLSA-N 0 0 446.041 5.480 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2C1 ZINC000014273267 557332662 /nfs/dbraw/zinc/33/26/62/557332662.db2.gz DRIRRCKQTROLNF-CQSZACIVSA-N 0 0 449.532 6.191 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc4ccccc43)sc2C1 ZINC000014271534 557332687 /nfs/dbraw/zinc/33/26/87/557332687.db2.gz NQCHOKSMFSDTND-INIZCTEOSA-N 0 0 447.629 6.051 40 30 IKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000014271470 557332716 /nfs/dbraw/zinc/33/27/16/557332716.db2.gz HERMQYHZCPTETL-MRXNPFEDSA-N 0 0 445.613 5.390 40 30 IKEBRN CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c1 ZINC000013503488 557338440 /nfs/dbraw/zinc/33/84/40/557338440.db2.gz LJBPAFWFXYAJFI-UHFFFAOYSA-N 0 0 435.549 5.252 40 30 IKEBRN CCOC(=O)N1C=C[C@H]2C=C[C@@H]1[C@@]1(C)C(=O)C(C)=C(c3ccccc3)[C@]21c1ccccc1 ZINC000045069561 557352798 /nfs/dbraw/zinc/35/27/98/557352798.db2.gz ZLEIAUDTJAGXJQ-IJEQNIMCSA-N 0 0 425.528 5.528 40 30 IKEBRN C[C@@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl ZINC000033957398 557382303 /nfs/dbraw/zinc/38/23/03/557382303.db2.gz KAZZDRRNZVOQBJ-MFOMESQVSA-N 0 0 441.402 7.030 40 30 IKEBRN C=CCN1C(=O)[C@H](Cc2cccc(C(F)(F)F)c2)S/C1=N\N=C(\C)c1ccc(F)cc1 ZINC000013634315 557383852 /nfs/dbraw/zinc/38/38/52/557383852.db2.gz QEDZPCJTDQBXSY-CWCGUGSYSA-N 0 0 449.473 5.297 40 30 IKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000013879680 557392948 /nfs/dbraw/zinc/39/29/48/557392948.db2.gz RTVFRNRQFNHUJT-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN CC(C)c1ccc([C@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000013816142 557394355 /nfs/dbraw/zinc/39/43/55/557394355.db2.gz OCQDUXCXSHGZPC-QRWLVFNGSA-N 0 0 442.441 5.429 40 30 IKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000013842036 557394848 /nfs/dbraw/zinc/39/48/48/557394848.db2.gz JLYVLOPHKUDXOB-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000013842947 557395304 /nfs/dbraw/zinc/39/53/04/557395304.db2.gz DADHSDBASTUXLK-UHFFFAOYSA-N 0 0 436.581 5.206 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]([C@@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118913394 557404927 /nfs/dbraw/zinc/40/49/27/557404927.db2.gz VOETZVYTDQTIBX-APYPAYISSA-N 0 0 446.588 5.239 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000118913496 557405153 /nfs/dbraw/zinc/40/51/53/557405153.db2.gz LJQHVTRFOZQNII-MOLOORIASA-N 0 0 444.537 6.592 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000118916261 557405740 /nfs/dbraw/zinc/40/57/40/557405740.db2.gz UILXPFRZQGQVFT-LVHXGSLFSA-N 0 0 442.546 6.174 40 30 IKEBRN CC(=O)[C@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000118917793 557406224 /nfs/dbraw/zinc/40/62/24/557406224.db2.gz AHBKIEXBQNRDNL-UPHGVFKWSA-N 0 0 448.603 5.744 40 30 IKEBRN CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](F)C[C@]12C ZINC000118933258 557407422 /nfs/dbraw/zinc/40/74/22/557407422.db2.gz JEEUJGVJTLVJQM-DCJXKKNWSA-N 0 0 439.365 5.082 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1C ZINC000014081889 557418565 /nfs/dbraw/zinc/41/85/65/557418565.db2.gz PGZHQRFBFSOMNX-UHFFFAOYSA-N 0 0 433.364 5.477 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cccc(C)c1 ZINC000014082113 557418581 /nfs/dbraw/zinc/41/85/81/557418581.db2.gz IVSAHPWJZOTXKO-UHFFFAOYSA-N 0 0 447.589 5.294 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc(C)c1 ZINC000014082159 557418646 /nfs/dbraw/zinc/41/86/46/557418646.db2.gz GIIIZHSYBIXGNW-UHFFFAOYSA-N 0 0 433.364 5.477 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1C ZINC000014081888 557418684 /nfs/dbraw/zinc/41/86/84/557418684.db2.gz KPROXCQLRSIDMD-UHFFFAOYSA-N 0 0 433.364 5.477 40 30 IKEBRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000014091494 557419082 /nfs/dbraw/zinc/41/90/82/557419082.db2.gz CKTCOCORIJTYQJ-UHFFFAOYSA-N 0 0 433.364 5.093 40 30 IKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000014117956 557420735 /nfs/dbraw/zinc/42/07/35/557420735.db2.gz KDUOZWIYNIOEDH-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccccc1Cl ZINC000014126778 557421222 /nfs/dbraw/zinc/42/12/22/557421222.db2.gz RYVKSTVAEOOZNL-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(Cl)cc1C ZINC000014133275 557421746 /nfs/dbraw/zinc/42/17/46/557421746.db2.gz DCQZGIMBRHMBIS-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN Cc1oc(/N=C/c2c(C)n(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)c(C#N)c1C ZINC000014134479 557422429 /nfs/dbraw/zinc/42/24/29/557422429.db2.gz PJXFSKRQYOCSGA-KVSWJAHQSA-N 0 0 436.342 7.137 40 30 IKEBRN COc1ccc([C@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 ZINC000014163676 557424654 /nfs/dbraw/zinc/42/46/54/557424654.db2.gz PMCSJVLUTVSTSD-MQNRADLISA-N 0 0 429.520 5.144 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cccc(OCc3cccc4ccccc43)c2)c([N+](=O)[O-])c1 ZINC000014408863 557444050 /nfs/dbraw/zinc/44/40/50/557444050.db2.gz NHGQQSLGQZLOGM-MFKUBSTISA-N 0 0 442.431 5.681 40 30 IKEBRN C#CCn1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 ZINC000014408485 557444076 /nfs/dbraw/zinc/44/40/76/557444076.db2.gz OGKGGJKTACMLQZ-ZCTHSVRISA-N 0 0 425.491 6.824 40 30 IKEBRN N#Cc1c(/N=C/c2ccc(-c3ccc(F)cc3)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000014408519 557444156 /nfs/dbraw/zinc/44/41/56/557444156.db2.gz SSDYZASGILFCKD-FDAWAROLSA-N 0 0 432.454 7.635 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cccc(OCc3ccccc3Cl)c2)c([N+](=O)[O-])c1 ZINC000014408849 557444165 /nfs/dbraw/zinc/44/41/65/557444165.db2.gz NDFDCCQALFQXIJ-WSDLNYQXSA-N 0 0 426.816 5.181 40 30 IKEBRN Cc1ccc(C(=O)Oc2cccc([C@H]3Sc4ccccc4NC4=C3C(=O)CCC4)c2)cc1 ZINC000014671937 557449261 /nfs/dbraw/zinc/44/92/61/557449261.db2.gz PCUIXPDSYDCIIX-AREMUKBSSA-N 0 0 441.552 6.480 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Br)c1)C2=O ZINC000118916224 557459562 /nfs/dbraw/zinc/45/95/62/557459562.db2.gz OMJIZRMQBBHMOY-IADOJVRWSA-N 0 0 441.453 7.444 40 30 IKEBRN COc1c(F)c(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c(F)c1F ZINC000016194429 557470568 /nfs/dbraw/zinc/47/05/68/557470568.db2.gz VQWKVFRZFDATDB-UHFFFAOYSA-N 0 0 436.327 5.123 40 30 IKEBRN Cc1[nH]nc2c1C1=C(C(=O)[C@@H](C(C)(C)C)C[C@@H]1C(C)(C)C)[C@@H](c1ccc(N(C)C)cc1)N2 ZINC000016265950 557471400 /nfs/dbraw/zinc/47/14/00/557471400.db2.gz JVUXTMQBVQQAIR-SFYKDHMMSA-N 0 0 434.628 6.002 40 30 IKEBRN CC1(C)[C@@H](C=C(Br)Br)[C@@H]1O[C@@H](C#N)c1cnc2ccccc2c1 ZINC000016577190 557474766 /nfs/dbraw/zinc/47/47/66/557474766.db2.gz LAVBPVFCUCRKLJ-QRTARXTBSA-N 0 0 436.147 5.472 40 30 IKEBRN CCCC(=O)Nc1ccc(Cl)c(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1 ZINC000016637037 557474951 /nfs/dbraw/zinc/47/49/51/557474951.db2.gz ZLOAUZJDFOUTCQ-JFLMPSFJSA-N 0 0 441.358 6.779 40 30 IKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccc(F)cc3)NC1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223511585 557480926 /nfs/dbraw/zinc/48/09/26/557480926.db2.gz IUXJKWMBFQQEKI-QRVIBDJDSA-N 0 0 449.595 6.436 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)S/C1=N/c1ccccc1 ZINC000223524986 557482171 /nfs/dbraw/zinc/48/21/71/557482171.db2.gz VGJLOFOGXZMALQ-LPJLAFHTSA-N 0 0 433.621 6.423 40 30 IKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc3c(c2)[C@H](C)CC(C)(C)N3C(C)C)S1 ZINC000223553743 557485184 /nfs/dbraw/zinc/48/51/84/557485184.db2.gz GREIVKAMMQOPIW-NLKUQUHMSA-N 0 0 433.621 6.387 40 30 IKEBRN CC(C)N1c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223553546 557485187 /nfs/dbraw/zinc/48/51/87/557485187.db2.gz MIPLGGRKFNGHID-FKOVGQMLSA-N 0 0 433.621 6.421 40 30 IKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)S2)c1C ZINC000223553900 557485212 /nfs/dbraw/zinc/48/52/12/557485212.db2.gz YTNMCCFKQMRDJV-YNJLWJOVSA-N 0 0 447.648 6.696 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)S/C1=N\c1ccccc1 ZINC000223554131 557485219 /nfs/dbraw/zinc/48/52/19/557485219.db2.gz BMRRTKZNMLZOPG-HKJLTUBRSA-N 0 0 447.648 6.811 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)S2)c(C)c1 ZINC000223554046 557485234 /nfs/dbraw/zinc/48/52/34/557485234.db2.gz GIOREIQBTMCKAQ-QHSFOXILSA-N 0 0 447.648 6.696 40 30 IKEBRN CC(C)N1c2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223554590 557485395 /nfs/dbraw/zinc/48/53/95/557485395.db2.gz ZJIFWAVWIIPXFY-GLFIFPSUSA-N 0 0 437.584 6.218 40 30 IKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)cc1 ZINC000223554808 557485479 /nfs/dbraw/zinc/48/54/79/557485479.db2.gz MGQKPPDTZBEDTL-XHFXOGKZSA-N 0 0 447.648 6.641 40 30 IKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)cc1 ZINC000223562564 557486399 /nfs/dbraw/zinc/48/63/99/557486399.db2.gz YDKSGRIYQSCCOL-DDBXXPGKSA-N 0 0 442.603 7.739 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)cc2)cc1 ZINC000223562766 557486530 /nfs/dbraw/zinc/48/65/30/557486530.db2.gz MASJTXOCJYLRBU-FRDWBBKPSA-N 0 0 442.603 7.739 40 30 IKEBRN CCN1c2cc(C)c(/C=C3\S/C(=N\c4cccc(C)c4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223578982 557488226 /nfs/dbraw/zinc/48/82/26/557488226.db2.gz ANRPFUXEHRCXCT-PVFDWLMNSA-N 0 0 433.621 6.307 40 30 IKEBRN O=C1C[C@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000017100484 557489086 /nfs/dbraw/zinc/48/90/86/557489086.db2.gz SSJIPWRKLLMHBW-BZQUYTCOSA-N 0 0 436.540 5.995 40 30 IKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223601648 557490645 /nfs/dbraw/zinc/49/06/45/557490645.db2.gz MGGGUVBOIURRKD-PVFDWLMNSA-N 0 0 433.621 6.387 40 30 IKEBRN Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)cc2)cc1 ZINC000223611509 557491572 /nfs/dbraw/zinc/49/15/72/557491572.db2.gz TXCGFSVHCLIKOI-LZHTXPGSSA-N 0 0 440.631 8.347 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F ZINC000118917024 557493032 /nfs/dbraw/zinc/49/30/32/557493032.db2.gz FHIHDASURXFVSB-IGBZQXCHSA-N 0 0 444.585 7.913 40 30 IKEBRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]12CC[C@H](C)CO2 ZINC000118917364 557493060 /nfs/dbraw/zinc/49/30/60/557493060.db2.gz BHUDKWOFZIXCDR-FXDGOSLSSA-N 0 0 426.597 5.101 40 30 IKEBRN COc1cccc(/C=N/C[C@]2(O)CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O ZINC000118918854 557493368 /nfs/dbraw/zinc/49/33/68/557493368.db2.gz PFLCXOYUUHWAGR-VPQSJMKGSA-N 0 0 439.640 5.984 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000118916154 557493572 /nfs/dbraw/zinc/49/35/72/557493572.db2.gz ANTLLZHQDMIOLB-IXSDIWIJSA-N 0 0 447.446 6.959 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 ZINC000118932322 557493741 /nfs/dbraw/zinc/49/37/41/557493741.db2.gz KNJVWAVLNHNHKV-WSRHPNDCSA-N 0 0 430.654 6.502 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000118916320 557493828 /nfs/dbraw/zinc/49/38/28/557493828.db2.gz UELTYJDTQILMTO-IRKZJABGSA-N 0 0 446.553 6.671 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC(=O)[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 ZINC000118927603 557494976 /nfs/dbraw/zinc/49/49/76/557494976.db2.gz VOPZSPZAIPUPAF-KKRLIDEPSA-N 0 0 444.637 5.681 40 30 IKEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000119087953 557495353 /nfs/dbraw/zinc/49/53/53/557495353.db2.gz VEEBKUQFPONGGR-KWIIRQRCSA-N 0 0 444.700 7.171 40 30 IKEBRN COc1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3nc4ccccc4n32)cc1OC ZINC000019633764 557502536 /nfs/dbraw/zinc/50/25/36/557502536.db2.gz QXKNAJZWGQTVGP-LMKMVOKYSA-N 0 0 441.487 5.062 40 30 IKEBRN COc1ccc([C@@H]2C3C(=O)C[C@H](c4ccco4)CC3=Nc3nc4ccccc4n32)cc1OC ZINC000019633752 557502576 /nfs/dbraw/zinc/50/25/76/557502576.db2.gz QXKNAJZWGQTVGP-PUAOIOHZSA-N 0 0 441.487 5.062 40 30 IKEBRN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3nc4ccccc4n32)cc1OC ZINC000019633760 557502581 /nfs/dbraw/zinc/50/25/81/557502581.db2.gz QXKNAJZWGQTVGP-IVCQMTBJSA-N 0 0 441.487 5.062 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(C[C@H]2CCCO2)C1=O ZINC000019637544 557503172 /nfs/dbraw/zinc/50/31/72/557503172.db2.gz SYSLHZGKUNLUIS-LVVHTTAXSA-N 0 0 442.968 5.522 40 30 IKEBRN Cc1nc2n(n1)[C@@H](c1cccc(Oc3ccccc3)c1)C1C(=O)C[C@@H](c3ccccc3)CC1=N2 ZINC000019647406 557505376 /nfs/dbraw/zinc/50/53/76/557505376.db2.gz IKLBZVHMXYKIIN-IDISGSTGSA-N 0 0 448.526 5.795 40 30 IKEBRN CC[C@@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Br)ccc4O)cc3)nc2c1 ZINC000019648623 557506144 /nfs/dbraw/zinc/50/61/44/557506144.db2.gz ZEJJHWKGOBTBNJ-NXYZXBHKSA-N 0 0 449.348 7.227 40 30 IKEBRN Cc1cccc(C2C3=C(C[C@@H](c4ccco4)CC3=O)NC3=C2C(=O)C[C@H](c2ccco2)C3)c1 ZINC000019629707 557506623 /nfs/dbraw/zinc/50/66/23/557506623.db2.gz LUOONSUCHMOYNB-RTBURBONSA-N 0 0 439.511 5.669 40 30 IKEBRN Cc1ccccc1-c1nc2sc3c(c2c(=O)n1/N=C/c1ccc([N+](=O)[O-])cc1)CCCC3 ZINC000003146445 557523332 /nfs/dbraw/zinc/52/33/32/557523332.db2.gz WRBUADIGSBJFGW-AFUMVMLFSA-N 0 0 444.516 5.103 40 30 IKEBRN COCCN1C(=O)/C(=C/c2ccc(OC(F)F)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000003246582 557523760 /nfs/dbraw/zinc/52/37/60/557523760.db2.gz LVAYEQLTNCFIGP-HLYXTKRYSA-N 0 0 438.883 5.192 40 30 IKEBRN S=C1N=NC(c2ccccn2)N1N=Cc1ccc(N(c2ccccc2)c2ccccc2)cc1 ZINC000003337261 557525156 /nfs/dbraw/zinc/52/51/56/557525156.db2.gz TYDXGFMKADGECB-TURZUDJPSA-N 0 0 448.555 5.981 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C[C@@H]4C)cc2)cc1 ZINC000198080778 557529317 /nfs/dbraw/zinc/52/93/17/557529317.db2.gz VYYVYIQJGJIFEM-MJDZGMBVSA-N 0 0 428.576 7.269 40 30 IKEBRN Cc1ccc2c(c1)S/C(=C1/C[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C1=O)S2 ZINC000118916141 557544807 /nfs/dbraw/zinc/54/48/07/557544807.db2.gz YMDSWPZYGHRYGY-FRDKWLLCSA-N 0 0 438.702 8.016 40 30 IKEBRN Cc1ccc(NC(=O)CN2c3ccccc3NC3=C(C(=O)CCC3)[C@@H]2c2ccco2)cc1C ZINC000225246615 557704793 /nfs/dbraw/zinc/70/47/93/557704793.db2.gz TZFDXSPIDPOGLS-MHZLTWQESA-N 0 0 441.531 5.515 40 30 IKEBRN N#CC1(c2ccc(NC(=O)[C@@H]3CCCN(Cc4c(Cl)cccc4Cl)C3)cc2)CC1 ZINC000225910568 557790965 /nfs/dbraw/zinc/79/09/65/557790965.db2.gz RAWXEADGABMIPZ-MRXNPFEDSA-N 0 0 428.363 5.399 40 30 IKEBRN COc1ccc(Br)cc1/C=C1/S/C(=N\c2cccc(Cl)c2C)NC1=O ZINC000033458527 557808670 /nfs/dbraw/zinc/80/86/70/557808670.db2.gz RZJJOTLNKDOYAX-CXUHLZMHSA-N 0 0 437.746 5.311 40 30 IKEBRN Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](c3ccc(OCC#N)cc3)N4)sc2c1 ZINC000058851227 557812197 /nfs/dbraw/zinc/81/21/97/557812197.db2.gz KTYBYGCIVMBPPS-VHSZZVNMSA-N 0 0 449.579 7.001 40 30 IKEBRN O=C(NCc1ccccc1)c1c(/N=C\c2ccc(Br)o2)sc2c1CCCC2 ZINC000058826784 557812850 /nfs/dbraw/zinc/81/28/50/557812850.db2.gz MZNKDSQBDXWOFM-CFRMEGHHSA-N 0 0 443.366 5.663 40 30 IKEBRN Fc1ccc(/N=C/c2cc(Br)c(I)o2)cc1Cl ZINC000059104405 557814120 /nfs/dbraw/zinc/81/41/20/557814120.db2.gz LFPGPDWQSADMCA-FZSIALSZSA-N 0 0 428.426 5.190 40 30 IKEBRN CC/N=C1\S/C(=C\c2c(OCc3cccc(C)c3)ccc3ccccc32)C(=O)N1CC ZINC000059104659 557814273 /nfs/dbraw/zinc/81/42/73/557814273.db2.gz PJYUYHKWGJNTLN-LMTJQJACSA-N 0 0 430.573 6.039 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000058884145 557815103 /nfs/dbraw/zinc/81/51/03/557815103.db2.gz MKQQAMCGDSQPIA-MSIOFZDNSA-N 0 0 448.910 5.015 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000059137101 557815928 /nfs/dbraw/zinc/81/59/28/557815928.db2.gz VSJGNGMNXPNKFE-NDENLUEZSA-N 0 0 425.916 5.778 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4cc(Cl)ccc4C)NC3=O)o2)cc1 ZINC000059137857 557816044 /nfs/dbraw/zinc/81/60/44/557816044.db2.gz JOQQCGJHMJGCMW-UNOMPAQXSA-N 0 0 440.977 6.593 40 30 IKEBRN Clc1cccc(Cl)c1COc1ccc(C=NNc2nc3ccccc3s2)cc1 ZINC000059194439 557818273 /nfs/dbraw/zinc/81/82/73/557818273.db2.gz VFQBJKDHFRHXLU-WYMPLXKRSA-N 0 0 428.344 6.628 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 ZINC000059224177 557818799 /nfs/dbraw/zinc/81/87/99/557818799.db2.gz HDUPMROFWIKYDF-XKZIYDEJSA-N 0 0 434.948 6.119 40 30 IKEBRN C/N=C1\S/C(=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C(=O)N1C ZINC000059249486 557819098 /nfs/dbraw/zinc/81/90/98/557819098.db2.gz XHEPKAKKBFBYBJ-WLGFUPNESA-N 0 0 443.775 5.379 40 30 IKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000059105967 557820301 /nfs/dbraw/zinc/82/03/01/557820301.db2.gz GTCHTWKHJWTDAM-CIAFOILYSA-N 0 0 439.943 6.087 40 30 IKEBRN CC(C)c1ccc(NC(=O)CSc2nc3ccc(/N=C/c4ccccc4)cc3s2)cc1 ZINC000059459189 557821151 /nfs/dbraw/zinc/82/11/51/557821151.db2.gz ZJNXSDYHRYGJTH-CVKSISIWSA-N 0 0 445.613 6.901 40 30 IKEBRN C(=N/C1=N[C@@H](c2ccco2)[C@H](c2ccco2)S1)\c1ccc(OCc2ccccc2)cc1 ZINC000059461378 557821318 /nfs/dbraw/zinc/82/13/18/557821318.db2.gz FVGCLJVNGAORAS-NRYSQFAASA-N 0 0 428.513 6.456 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1 ZINC000059463669 557821546 /nfs/dbraw/zinc/82/15/46/557821546.db2.gz BEQCZKFPJDPXGY-OEAKJJBVSA-N 0 0 430.445 6.044 40 30 IKEBRN C(=N/C1=N[C@H](c2ccco2)[C@@H](c2ccco2)S1)\c1ccccc1OCc1ccccc1 ZINC000059461383 557821586 /nfs/dbraw/zinc/82/15/86/557821586.db2.gz GQZQAMIOMRPPDC-CQMUHVERSA-N 0 0 428.513 6.456 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3ccc(Br)cc3)sc2-c2ccccc2)cc1 ZINC000059463812 557821750 /nfs/dbraw/zinc/82/17/50/557821750.db2.gz UPKBRLRFYNLUJR-MFKUBSTISA-N 0 0 433.374 7.299 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463746 557821768 /nfs/dbraw/zinc/82/17/68/557821768.db2.gz CJMFPYQMSJXHDJ-AFUMVMLFSA-N 0 0 433.464 6.284 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3cccc(OC)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463755 557821789 /nfs/dbraw/zinc/82/17/89/557821789.db2.gz YSVLCLIDOCKRDX-MFKUBSTISA-N 0 0 445.500 6.153 40 30 IKEBRN Brc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1 ZINC000059471645 557821922 /nfs/dbraw/zinc/82/19/22/557821922.db2.gz JURCQCLMERDIMU-UBYIUWKDSA-N 0 0 429.361 7.026 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccc([N+](=O)[O-])cc3)sc2-c2ccc(OC)cc2)cc1 ZINC000059464322 557821934 /nfs/dbraw/zinc/82/19/34/557821934.db2.gz YOHAQZIWXRYNJN-MFKUBSTISA-N 0 0 445.500 6.153 40 30 IKEBRN Brc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1 ZINC000059471647 557821962 /nfs/dbraw/zinc/82/19/62/557821962.db2.gz JURCQCLMERDIMU-FCLXTIGESA-N 0 0 429.361 7.026 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3cccn3-c3ccc(Br)cc3)cc2)cc1 ZINC000059303469 557822166 /nfs/dbraw/zinc/82/21/66/557822166.db2.gz RBHGINUPKHAIOX-YZSQISJMSA-N 0 0 447.332 6.791 40 30 IKEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(OCc2ccc(F)cc2)cc1 ZINC000059418052 557823221 /nfs/dbraw/zinc/82/32/21/557823221.db2.gz VNINARLJJHQUAM-FYJGNVAPSA-N 0 0 438.911 5.950 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/N(c3ccccc3)c3ccccc3)c2C)cc1 ZINC000059427377 557823620 /nfs/dbraw/zinc/82/36/20/557823620.db2.gz NZSDHHNBOJLSEX-ZTKZIYFRSA-N 0 0 437.543 6.443 40 30 IKEBRN Cc1cccc(Nc2nc(N=NCc3cccc(F)c3)nc(N3CCC(C)CC3)n2)c1C ZINC000059596778 557824282 /nfs/dbraw/zinc/82/42/82/557824282.db2.gz ZPFZIRPGUYKSPW-CVKSISIWSA-N 0 0 433.535 5.053 40 30 IKEBRN C=CCOc1ccccc1CN=Nc1nc(-c2ccc(C)cc2)c(-c2ccccc2)s1 ZINC000059484306 557825305 /nfs/dbraw/zinc/82/53/05/557825305.db2.gz NRCIHQDYQOFCLU-OVVQPSECSA-N 0 0 425.557 6.796 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000059490095 557826318 /nfs/dbraw/zinc/82/63/18/557826318.db2.gz KCCDTAPRRMHBGL-UHFFFAOYSA-N 0 0 444.493 5.818 40 30 IKEBRN COC(=O)c1cccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)c1 ZINC000059500728 557826503 /nfs/dbraw/zinc/82/65/03/557826503.db2.gz PKTNLZJPWBEJNO-VULFUBBASA-N 0 0 449.915 6.311 40 30 IKEBRN COC(=O)c1ccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 ZINC000059500699 557826522 /nfs/dbraw/zinc/82/65/22/557826522.db2.gz DLDADIWARZRMSC-VULFUBBASA-N 0 0 449.915 6.311 40 30 IKEBRN Cn1cc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c2ccccc21 ZINC000059514381 557826820 /nfs/dbraw/zinc/82/68/20/557826820.db2.gz CKPNGTWMCSIRQU-WGOQTCKBSA-N 0 0 434.507 5.297 40 30 IKEBRN O=[N+]([O-])c1ccc(Oc2ccccc2C=NN=c2[nH]c3ccccc3s2)c([N+](=O)[O-])c1 ZINC000059514323 557826933 /nfs/dbraw/zinc/82/69/33/557826933.db2.gz QQMMJHDLHZUUFH-CIAFOILYSA-N 0 0 435.421 5.351 40 30 IKEBRN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OCC ZINC000059958963 557827877 /nfs/dbraw/zinc/82/78/77/557827877.db2.gz CWOMBLFQYGTNKC-UHFFFAOYSA-N 0 0 438.564 5.884 40 30 IKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)S2)cc1C ZINC000059678615 557828561 /nfs/dbraw/zinc/82/85/61/557828561.db2.gz BJLUGQROZGLGAQ-BOPFTXTBSA-N 0 0 446.370 5.151 40 30 IKEBRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C ZINC000123290629 557837352 /nfs/dbraw/zinc/83/73/52/557837352.db2.gz CYPQELKXBYBDOE-IVQKSJBWSA-N 0 0 446.628 5.154 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1O ZINC000096469433 557838140 /nfs/dbraw/zinc/83/81/40/557838140.db2.gz KDRHSIVWJBNKAY-RZZGQMAMSA-N 0 0 430.529 5.248 40 30 IKEBRN C=C(C)[C@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501194 560037876 /nfs/dbraw/zinc/03/78/76/560037876.db2.gz MHAVMNJPXLZEIG-RROPCSHZSA-N 0 0 438.696 7.412 40 30 biogenic,in-vitro IKEBRN CO/N=C1\C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1/C(C)=N\OC ZINC000118913929 560045526 /nfs/dbraw/zinc/04/55/26/560045526.db2.gz KLCZPBNZZJGNRW-PANMEWGXSA-N 0 0 432.605 5.212 40 30 biogenic,in-vitro IKEBRN Brc1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1 ZINC000014407593 568622314 /nfs/dbraw/zinc/62/23/14/568622314.db2.gz BSBOXZDQMDRFCE-YDZHTSKRSA-N 0 0 438.350 6.084 40 30 IKEBRN CCc1cc2c(cc1I)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O ZINC000095938000 568626257 /nfs/dbraw/zinc/62/62/57/568626257.db2.gz IQWNZLQAANHDSH-UHFFFAOYSA-N 0 0 440.284 5.077 40 30 IKEBRN N#Cc1ccnc(Nc2nc([C@H]3CCCCN3Cc3cnn(C4CCCC4)c3)cs2)c1 ZINC000585295359 568632368 /nfs/dbraw/zinc/63/23/68/568632368.db2.gz WNJKDOLRBZKQEG-OAQYLSRUSA-N 0 0 433.585 5.192 40 30 IKEBRN Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000001098607 568658295 /nfs/dbraw/zinc/65/82/95/568658295.db2.gz YFYLWYGYFQGQBR-WSDLNYQXSA-N 0 0 445.569 5.034 40 30 IKEBRN N#Cc1c2c(sc1NC(=O)CSc1ccc(-c3nc4ccccc4[nH]3)cn1)CCCC2 ZINC000001329669 568779680 /nfs/dbraw/zinc/77/96/80/568779680.db2.gz KTSSVKKEAYGSOI-UHFFFAOYSA-N 0 0 445.573 5.168 40 30 IKEBRN CCOc1ccc(OCC)c(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c1 ZINC000001354262 568780468 /nfs/dbraw/zinc/78/04/68/568780468.db2.gz XVRCIKLJWAGCMU-UHFFFAOYSA-N 0 0 435.549 5.252 40 30 IKEBRN CCOC(=O)c1sc(NC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(C#N)c1C ZINC000032124547 568781518 /nfs/dbraw/zinc/78/15/18/568781518.db2.gz LXAXVHMRHVYULJ-UHFFFAOYSA-N 0 0 447.727 5.083 40 30 IKEBRN Cc1cc(C)c2nc(SCC(=O)Nc3ccc(C(=O)OC(C)C)cc3)c(C#N)cc2c1 ZINC000001360935 568782191 /nfs/dbraw/zinc/78/21/91/568782191.db2.gz DQHLXMSQHJRYSW-UHFFFAOYSA-N 0 0 433.533 5.019 40 30 IKEBRN CC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002772330 568789161 /nfs/dbraw/zinc/78/91/61/568789161.db2.gz YEARYHYSBIPYSN-JOCHJYFZSA-N 0 0 436.621 5.506 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2cc(OC)c(OC(C)C)cc2Cl)N(c2ccccc2)C1=S ZINC000002799447 568789383 /nfs/dbraw/zinc/78/93/83/568789383.db2.gz HYWBRNUFGZTPBS-XDHOZWIPSA-N 0 0 442.968 5.296 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)SC1=S ZINC000002851957 568789501 /nfs/dbraw/zinc/78/95/01/568789501.db2.gz GJPFNTOSGVRMJI-WQRHYEAKSA-N 0 0 436.385 5.960 40 30 IKEBRN CCOC(=O)c1c(CSc2nc(C)c(C)c(C)c2C#N)oc2ccc(OC(C)=O)cc21 ZINC000001436777 568794626 /nfs/dbraw/zinc/79/46/26/568794626.db2.gz FFKQUBIIFNXLMG-UHFFFAOYSA-N 0 0 438.505 5.019 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1Cl ZINC000016216663 568829516 /nfs/dbraw/zinc/82/95/16/568829516.db2.gz NSSARRRWPUYSFS-UNOMPAQXSA-N 0 0 431.966 5.315 40 30 IKEBRN CCO[P@@](=O)(C#CC(C)(C)C)[C@@H](NCc1ccccc1)c1ccc(Br)cc1 ZINC000016688011 568829985 /nfs/dbraw/zinc/82/99/85/568829985.db2.gz PUUDWNUNBVTUBV-ZBLYBZFDSA-N 0 0 448.341 6.559 40 30 IKEBRN CCO[P@@](=O)(C#CC(C)(C)C)[C@H](NCc1ccccc1)c1ccc(Br)cc1 ZINC000016688013 568830080 /nfs/dbraw/zinc/83/00/80/568830080.db2.gz PUUDWNUNBVTUBV-IDISGSTGSA-N 0 0 448.341 6.559 40 30 IKEBRN COc1ccc(C#Cc2c3ccccc3c(C#Cc3ccc(OC)cc3)c3ccccc23)cc1 ZINC000001564299 568834069 /nfs/dbraw/zinc/83/40/69/568834069.db2.gz SNQCWOHNNKPROH-UHFFFAOYSA-N 0 0 438.526 6.810 40 30 IKEBRN Cc1ccc(/N=C/c2ccc3ccccc3c2O)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000100107548 568841316 /nfs/dbraw/zinc/84/13/16/568841316.db2.gz HBZLWIZKBMWHHS-OCSSWDANSA-N 0 0 438.571 6.759 40 30 IKEBRN Cc1nn(-c2ccccn2)c2c1C(Cl)=C(/C=N/C(c1ccccc1)c1ccccc1)CC2 ZINC000101647069 568846735 /nfs/dbraw/zinc/84/67/35/568846735.db2.gz WJEIUWIAOUWHKK-UXHLAJHPSA-N 0 0 438.962 6.332 40 30 IKEBRN O=C(Nc1ccccc1)c1c([O-])c(Cc2ccccc2Cl)sc1NCc1ccccc1 ZINC000100265941 568852470 /nfs/dbraw/zinc/85/24/70/568852470.db2.gz KASPDTZQNZJMHV-NRFANRHFSA-N 0 0 448.975 5.207 40 30 IKEBRN O=C1/C(=C\c2ccsc2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000032109635 568866205 /nfs/dbraw/zinc/86/62/05/568866205.db2.gz MNAPSWWVQNPFKX-DDOPLPCHSA-N 0 0 429.570 6.076 40 30 IKEBRN Cc1onc(-c2ccccc2Cl)c1C(=O)Sc1nc(-c2ccccc2)ccc1C#N ZINC000016249554 568874936 /nfs/dbraw/zinc/87/49/36/568874936.db2.gz YNJIVPNEPRSJEK-UHFFFAOYSA-N 0 0 431.904 6.170 40 30 IKEBRN N#Cc1c(NC(=O)Nc2cc(C(F)(F)F)ccc2Cl)sc(=S)c2c1CCCC2 ZINC000001576726 568875694 /nfs/dbraw/zinc/87/56/94/568875694.db2.gz ASIHOLHAWLIHFK-UHFFFAOYSA-N 0 0 443.903 6.544 40 30 IKEBRN N#Cc1c(N)nc(SCc2ccc(Br)cc2)nc1Cc1ccc(Cl)cc1 ZINC000223669127 568876268 /nfs/dbraw/zinc/87/62/68/568876268.db2.gz JYQJDUAEBWEDJV-UHFFFAOYSA-N 0 0 445.773 5.229 40 30 IKEBRN COc1ccccc1OCc1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N ZINC000223691156 568876481 /nfs/dbraw/zinc/87/64/81/568876481.db2.gz WPDUTOLLLVLTIV-UHFFFAOYSA-N 0 0 447.347 5.117 40 30 IKEBRN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3cccc(C)c3)n2)cc1 ZINC000006245929 568880670 /nfs/dbraw/zinc/88/06/70/568880670.db2.gz JSBUOWYSNODNEZ-UHFFFAOYSA-N 0 0 449.579 6.635 40 30 IKEBRN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)c3ccc(C)c(C)c3)n2)cc1 ZINC000006246038 568880699 /nfs/dbraw/zinc/88/06/99/568880699.db2.gz SXVQTZLCZCVDJI-UHFFFAOYSA-N 0 0 448.591 7.188 40 30 IKEBRN Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000006245861 568880812 /nfs/dbraw/zinc/88/08/12/568880812.db2.gz AIDCVXYVEWWATG-UHFFFAOYSA-N 0 0 449.579 6.635 40 30 IKEBRN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccccc3)n2)cc1 ZINC000006246241 568880844 /nfs/dbraw/zinc/88/08/44/568880844.db2.gz QHOBASUDHUUCIO-HXUWFJFHSA-N 0 0 449.579 6.715 40 30 IKEBRN C=CCOc1cccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)c1 ZINC000219961410 568884809 /nfs/dbraw/zinc/88/48/09/568884809.db2.gz TVHFRKKGJYEAOI-UHFFFAOYSA-N 0 0 440.587 5.958 40 30 IKEBRN CC12CC3(C)CC(C)(C1)CC(C(=O)/N=C1\N=C4C=CC(Cl)=CN4Cc4ccccc41)(C2)C3 ZINC000102658078 568887592 /nfs/dbraw/zinc/88/75/92/568887592.db2.gz KMHOPZNJRPOSGI-SWKFRHMKSA-N 0 0 448.010 6.211 40 30 IKEBRN FC(F)(F)c1ccc(Cl)c(NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c1 ZINC000015913962 568894069 /nfs/dbraw/zinc/89/40/69/568894069.db2.gz MFVRBAIWHRXZMZ-CCVNUDIWSA-N 0 0 440.856 6.658 40 30 IKEBRN COc1ccc(Br)cc1/C=N/c1cc(C(F)(F)F)ccc1N1CCOCC1 ZINC000102957934 568900444 /nfs/dbraw/zinc/90/04/44/568900444.db2.gz CFBNYCMQQVCTCH-WYMPLXKRSA-N 0 0 443.263 5.064 40 30 IKEBRN CCOC(=O)c1ccc(/N=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 ZINC000102957350 568900460 /nfs/dbraw/zinc/90/04/60/568900460.db2.gz AGCBUNKQZMPYNJ-WPWMEQJKSA-N 0 0 425.488 5.475 40 30 IKEBRN N#Cc1c(-c2ccccc2Cl)cc(-c2ccc(Cl)cc2)nc1SCc1ccccc1 ZINC000006446329 568906921 /nfs/dbraw/zinc/90/69/21/568906921.db2.gz PKXJLHGVXHKPKA-UHFFFAOYSA-N 0 0 447.390 7.886 40 30 IKEBRN Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000006444149 568906942 /nfs/dbraw/zinc/90/69/42/568906942.db2.gz HNPUZIKDJRSQAK-FQEVSTJZSA-N 0 0 449.579 6.715 40 30 IKEBRN N#Cc1c(-c2cccnc2)cc(-c2ccccc2)nc1SCC(=O)c1ccc(Cl)cc1 ZINC000016492612 568915002 /nfs/dbraw/zinc/91/50/02/568915002.db2.gz VPNJEXMOFQVNGT-UHFFFAOYSA-N 0 0 441.943 6.311 40 30 IKEBRN C=C(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253598148 569136740 /nfs/dbraw/zinc/13/67/40/569136740.db2.gz MQYXUWHLBZFQQO-ZGVRAMQJSA-N 0 0 426.729 8.025 40 30 IKEBRN C=C(C)[C@@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253598145 569136752 /nfs/dbraw/zinc/13/67/52/569136752.db2.gz MQYXUWHLBZFQQO-KPWJMACCSA-N 0 0 426.729 8.025 40 30 IKEBRN CCN(CC)c1ccc(NN=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000238924262 569137828 /nfs/dbraw/zinc/13/78/28/569137828.db2.gz RMWZSBQMRHAPTC-UHFFFAOYSA-N 0 0 443.532 5.102 40 30 IKEBRN Cc1ccccc1/N=C/c1cc(Cc2ccc(O)c(/C=N/c3ccccc3C)c2)ccc1O ZINC000003168092 569139943 /nfs/dbraw/zinc/13/99/43/569139943.db2.gz IPBJBDFQJSIJGJ-GFTXTJKWSA-N 0 0 434.539 6.807 40 30 IKEBRN C=CCn1c(-c2ccc(-c3ccccc3)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 ZINC000016740080 569160792 /nfs/dbraw/zinc/16/07/92/569160792.db2.gz AGDCPSYPQOWPNG-OLFWJLLRSA-N 0 0 436.502 7.321 40 30 IKEBRN C=CCn1c(CNc2cccc(Cl)c2C)nn(CC(=O)Nc2cccc(C)c2)c1=S ZINC000016768688 569161472 /nfs/dbraw/zinc/16/14/72/569161472.db2.gz KKGAJMZYPQFPFP-UHFFFAOYSA-N 0 0 441.988 5.121 40 30 IKEBRN N#Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2 ZINC000017096333 569172478 /nfs/dbraw/zinc/17/24/78/569172478.db2.gz YGXPJGOIBUJOOY-RMKNXTFCSA-N 0 0 429.328 6.327 40 30 IKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)sc2C1 ZINC000017097414 569172810 /nfs/dbraw/zinc/17/28/10/569172810.db2.gz UTMFLUIGKRGURN-NSHDSACASA-N 0 0 431.344 6.564 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(Cl)cc3)sc2C1 ZINC000017097783 569173714 /nfs/dbraw/zinc/17/37/14/569173714.db2.gz GDTAVYAIQHWFMK-ZDUSSCGKSA-N 0 0 432.014 5.551 40 30 IKEBRN COc1ccc(-n2c(=S)ssc2=N/C(=N\c2ccc(C)cc2)c2ccccc2)cc1 ZINC000252444417 569183793 /nfs/dbraw/zinc/18/37/93/569183793.db2.gz VZICHORWUKWPDI-XQUZFIRCSA-N 0 0 449.626 6.326 40 30 IKEBRN N#Cc1ccccc1Cn1cc(/C=C2/C=C(c3ccc(Cl)cc3)OC2=O)c2ccccc21 ZINC000002209190 569192040 /nfs/dbraw/zinc/19/20/40/569192040.db2.gz KYZHDALYBFZPPU-BKUYFWCQSA-N 0 0 436.898 6.196 40 30 IKEBRN FC(F)(F)c1cccc(/N=C/c2c3ccccc3n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000002680169 569211302 /nfs/dbraw/zinc/21/13/02/569211302.db2.gz NDOKULJLTOQEMO-BIZUNTBRSA-N 0 0 440.468 8.067 40 30 IKEBRN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(Cl)cc1 ZINC000003176632 569213259 /nfs/dbraw/zinc/21/32/59/569213259.db2.gz AKIZFOBIXPHFNG-DSNGMDLFSA-N 0 0 435.914 5.624 40 30 IKEBRN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)cc1 ZINC000008811986 569219142 /nfs/dbraw/zinc/21/91/42/569219142.db2.gz XJKHMZUYWGJYOJ-LQKURTRISA-N 0 0 445.906 6.104 40 30 IKEBRN Clc1ccccc1CN/N=C/c1cccc(OCc2ccc(Br)cc2)c1 ZINC000008811604 569219148 /nfs/dbraw/zinc/21/91/48/569219148.db2.gz IDAZDOLTRVJYQE-ZMOGYAJESA-N 0 0 429.745 5.805 40 30 IKEBRN Clc1ccccc1CN/N=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000008811319 569219149 /nfs/dbraw/zinc/21/91/49/569219149.db2.gz MGXKAMBHAAAPIU-ZMOGYAJESA-N 0 0 429.745 5.805 40 30 IKEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1cccc2ccccc21 ZINC000010118742 569221243 /nfs/dbraw/zinc/22/12/43/569221243.db2.gz XXPVUJALOWKESL-STBIYBPSSA-N 0 0 430.935 6.205 40 30 IKEBRN O=S(=O)(c1ccccc1)N(Cc1ccccc1)c1ccc(/N=C/c2ccccc2F)cc1 ZINC000019855688 569239684 /nfs/dbraw/zinc/23/96/84/569239684.db2.gz QZAXLWSQFQKFAC-TURZUDJPSA-N 0 0 444.531 5.972 40 30 IKEBRN COc1ccc(/C=N/N=C2\CC[C@@H]3[C@@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1OC ZINC000020572603 569241442 /nfs/dbraw/zinc/24/14/42/569241442.db2.gz KJCBMTPITIADGL-NEHMQNOASA-N 0 0 432.564 5.741 40 30 IKEBRN N#Cc1c(NC(=O)CSc2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000032699496 569243556 /nfs/dbraw/zinc/24/35/56/569243556.db2.gz OHFWXKSFUFBXSO-UHFFFAOYSA-N 0 0 444.943 6.869 40 30 IKEBRN CCc1nnc(SCC(=O)Nc2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)o1 ZINC000032699682 569243569 /nfs/dbraw/zinc/24/35/69/569243569.db2.gz XSKVAEHLWPPPBV-UHFFFAOYSA-N 0 0 430.489 5.161 40 30 IKEBRN C=CCN(CC=C)C(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000033571712 569244623 /nfs/dbraw/zinc/24/46/23/569244623.db2.gz WOHOXFAINCVARP-UHFFFAOYSA-N 0 0 436.544 5.250 40 30 IKEBRN C=CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc2ccccc2o1 ZINC000033586803 569244720 /nfs/dbraw/zinc/24/47/20/569244720.db2.gz XRIVUKWFNAHKAC-UHFFFAOYSA-N 0 0 426.339 5.932 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000059676230 569249758 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/nfs/dbraw/zinc/40/83/73/569408373.db2.gz NKEGSHXHPATJER-UHFFFAOYSA-N 0 0 431.363 6.494 40 30 IKEBRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c1 ZINC000225780282 569408442 /nfs/dbraw/zinc/40/84/42/569408442.db2.gz QHCZMDPNMWRREU-UHFFFAOYSA-N 0 0 433.335 5.341 40 30 IKEBRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C#N ZINC000225780158 569408464 /nfs/dbraw/zinc/40/84/64/569408464.db2.gz PDNFIVLGXDNUJX-UHFFFAOYSA-N 0 0 433.335 5.339 40 30 IKEBRN CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c1 ZINC000225780374 569408481 /nfs/dbraw/zinc/40/84/81/569408481.db2.gz AZEQAGOEMKHAJD-UHFFFAOYSA-N 0 0 447.362 5.587 40 30 IKEBRN COc1ccc(COc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 ZINC000028182526 569408698 /nfs/dbraw/zinc/40/86/98/569408698.db2.gz SSXRZBWBNNBAIX-QFEZKATASA-N 0 0 425.484 5.691 40 30 IKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4F)c3C)C2=O)c2ccccc21 ZINC000028182590 569408753 /nfs/dbraw/zinc/40/87/53/569408753.db2.gz DEKYMZAPIJUBKE-QFEZKATASA-N 0 0 427.475 6.304 40 30 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/nfs/dbraw/zinc/43/78/67/569437867.db2.gz FXNXXLUFZLMRMB-FXLZSLRCSA-N 0 0 447.332 6.995 40 30 IKEBRN O=C(Nc1cc(Cl)c(/N=C/c2ccc(Br)cc2)cc1Cl)c1ccccc1 ZINC000003068145 569439770 /nfs/dbraw/zinc/43/97/70/569439770.db2.gz ZCWFRTDMJWXLKF-WYMPLXKRSA-N 0 0 448.147 6.759 40 30 IKEBRN Clc1ccc2oc(-c3ccc(/N=C/c4ccc(-c5ccccc5Cl)o4)cc3)nc2c1 ZINC000003068811 569439801 /nfs/dbraw/zinc/43/98/01/569439801.db2.gz QBGPFAIRDYHIAX-MZJWZYIUSA-N 0 0 433.294 7.812 40 30 IKEBRN COc1ccc(/C=N/c2ccc3nc(-c4cccc(Br)c4)oc3c2)cc1Cl ZINC000003084845 569439936 /nfs/dbraw/zinc/43/99/36/569439936.db2.gz KGGJCHCEACOYHK-WYMPLXKRSA-N 0 0 441.712 6.670 40 30 IKEBRN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1OC(C)C ZINC000003094386 569440074 /nfs/dbraw/zinc/44/00/74/569440074.db2.gz RHGHZHMOYQBWSC-HSZRJFAPSA-N 0 0 425.569 5.421 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC1=S ZINC000003097641 569440113 /nfs/dbraw/zinc/44/01/13/569440113.db2.gz LYKINMVFZJTLDV-ZDLGFXPLSA-N 0 0 436.385 5.960 40 30 IKEBRN COc1cccc(-c2cc(-c3cccs3)nc(SCc3ccc(Cl)cc3)c2C#N)c1 ZINC000008742316 569472959 /nfs/dbraw/zinc/47/29/59/569472959.db2.gz VKJDVKGNUJCJOF-UHFFFAOYSA-N 0 0 449.000 7.303 40 30 IKEBRN O=C1c2ccccc2S/C1=C1/C(=O)c2ccc(Cl)c3c2c1ccc3Br ZINC000008870399 569480672 /nfs/dbraw/zinc/48/06/72/569480672.db2.gz FEMHCBZWAALZHS-CAPFRKAQSA-N 0 0 427.706 6.152 40 30 IKEBRN O=C1c2ccc(Br)c3c2c(ccc3Br)C1=C1Cc2ccccc2N1 ZINC000008871965 569480905 /nfs/dbraw/zinc/48/09/05/569480905.db2.gz QWCRGDPYXUXUGC-FBMGVBCBSA-N 0 0 441.122 5.940 40 30 IKEBRN C[C@H]1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C\c2ccc(Cl)cc2Cl)C1 ZINC000245237025 569500431 /nfs/dbraw/zinc/50/04/31/569500431.db2.gz CDBOJGPJMRWNAJ-FXUPPKSJSA-N 0 0 426.170 7.766 40 30 IKEBRN Cc1nn(-c2ccccc2)cc1/C=C1\C[C@@H](C)C/C(=C/c2cn(-c3ccccc3)nc2C)C1=O ZINC000245237667 569500479 /nfs/dbraw/zinc/50/04/79/569500479.db2.gz PTKFOYVJYITOSK-WMGSCAEFSA-N 0 0 448.570 6.141 40 30 IKEBRN C[C@H]1C/C(=C\c2ccccc2Br)C(=O)/C(=C\c2ccccc2Br)C1 ZINC000245264628 569501755 /nfs/dbraw/zinc/50/17/55/569501755.db2.gz DPCPTISPIMFHIU-BXYYLCOUSA-N 0 0 446.182 6.678 40 30 IKEBRN C(=NN=c1[nH]c2ccccc2s1)c1ccc(C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000031719488 569582766 /nfs/dbraw/zinc/58/27/66/569582766.db2.gz SOXLWZZEBCMACC-NQGGHMMCSA-N 0 0 428.546 5.798 40 30 IKEBRN CC(C)(C)Nc1nc(Nc2cccc(C#N)c2)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328958954 569582982 /nfs/dbraw/zinc/58/29/82/569582982.db2.gz ARDSIIOUXISJQP-UHFFFAOYSA-N 0 0 427.430 5.868 40 30 IKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)COc1ccc(C(C)(C)C)cc1 ZINC000072228790 569583113 /nfs/dbraw/zinc/58/31/13/569583113.db2.gz BWPWVGLFWZSSHB-UHFFFAOYSA-N 0 0 438.597 6.036 40 30 IKEBRN CCCCOc1ccc(C(=O)Nc2c(C)cc3nc(N=NC(C)CC)sc3c2C)cc1 ZINC000072228700 569583645 /nfs/dbraw/zinc/58/36/45/569583645.db2.gz JBSHWGCPFVTRFO-YUMHPJSZSA-N 0 0 438.597 6.542 40 30 IKEBRN Cc1ccc(CN=Nc2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)o1 ZINC000408978362 569584116 /nfs/dbraw/zinc/58/41/16/569584116.db2.gz YYBXKKGYEJEQJW-ZMOGYAJESA-N 0 0 432.505 6.350 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408976819 569584119 /nfs/dbraw/zinc/58/41/19/569584119.db2.gz SLSCZZYNJNTBSX-AFUMVMLFSA-N 0 0 444.516 6.154 40 30 IKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1O ZINC000059484219 569584487 /nfs/dbraw/zinc/58/44/87/569584487.db2.gz LZLHWTZCZPKDAF-CVKSISIWSA-N 0 0 449.963 6.681 40 30 IKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)ccc1O ZINC000059475143 569584510 /nfs/dbraw/zinc/58/45/10/569584510.db2.gz FEMOJFQXKHXIAN-CVKSISIWSA-N 0 0 449.963 6.681 40 30 IKEBRN CCOc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1ccccc1 ZINC000408980637 569585112 /nfs/dbraw/zinc/58/51/12/569585112.db2.gz RVEDFNCCWZCCGW-UHFFFAOYSA-N 0 0 435.527 6.156 40 30 IKEBRN CCOc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1cccc(F)c1 ZINC000408978286 569585130 /nfs/dbraw/zinc/58/51/30/569585130.db2.gz HSJABFGMNWIOSI-UHFFFAOYSA-N 0 0 439.490 5.986 40 30 IKEBRN CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1ccc(Cl)cc1 ZINC000408979675 569585149 /nfs/dbraw/zinc/58/51/49/569585149.db2.gz NYLPSMKQTHWJNG-UHFFFAOYSA-N 0 0 433.939 5.712 40 30 IKEBRN Cc1ccc(-c2cnc(N)c(C#N)c2-c2ccc(OCc3c(C)cc(C)cc3C)cc2)cc1 ZINC000408985325 569585164 /nfs/dbraw/zinc/58/51/64/569585164.db2.gz LKOFCZVUUTZRJV-UHFFFAOYSA-N 0 0 433.555 6.682 40 30 IKEBRN Cc1nc(N)c(C#N)c(-c2cn(Cc3ccc(F)cc3)c3ccccc23)c1-c1ccccc1 ZINC000408978737 569585165 /nfs/dbraw/zinc/58/51/65/569585165.db2.gz JPSMXFLXBRKRJV-UHFFFAOYSA-N 0 0 432.502 6.320 40 30 IKEBRN Cc1nc(N)c(C#N)c(-c2c(OCc3ccccc3)ccc3ccccc32)c1-c1ccccc1 ZINC000408976419 569585167 /nfs/dbraw/zinc/58/51/67/569585167.db2.gz ATOHPRABGAJOQC-UHFFFAOYSA-N 0 0 441.534 6.910 40 30 IKEBRN Cc1cccc(Cn2cc(-c3c(C#N)c(N)nc(C)c3-c3ccccc3)c3ccccc32)c1 ZINC000408979000 569585191 /nfs/dbraw/zinc/58/51/91/569585191.db2.gz KTTAQJQXNJYLIW-UHFFFAOYSA-N 0 0 428.539 6.489 40 30 IKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1c(OCc2ccccc2)ccc2ccccc21 ZINC000408977478 569585192 /nfs/dbraw/zinc/58/51/92/569585192.db2.gz DPWUBZIRAUPWFQ-UHFFFAOYSA-N 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C(=N/N1CN(/N=C\c2ccccc2)[C@H](c2ccccc2)[C@@H]1c1ccccc1)\c1ccccc1 ZINC000031960678 518375693 /nfs/dbraw/zinc/37/56/93/518375693.db2.gz UCGXOCDSFKLAHV-NMCAYQQNSA-N 0 0 430.555 6.112 40 30 IKEBRN C(=N/N1CCN(/N=C/c2ccc(-c3ccccc3)cc2)CC1)\c1ccc(-c2ccccc2)cc1 ZINC000001700764 518377009 /nfs/dbraw/zinc/37/70/09/518377009.db2.gz NVZHXALZPYSPSN-QBRCKEFASA-N 0 0 444.582 6.006 40 30 IKEBRN C(=N/c1ccc2c(c1)oc1ccccc12)\c1ccc(Sc2nc3ccccc3s2)o1 ZINC000016525538 518378915 /nfs/dbraw/zinc/37/89/15/518378915.db2.gz HWUKPMIPAFWQGJ-AFUMVMLFSA-N 0 0 426.522 7.691 40 30 IKEBRN C/C(=N\n1c(COc2cc(C)ccc2C(C)C)nc2ccccc2c1=O)c1ccc(N)cc1 ZINC000016291134 518473314 /nfs/dbraw/zinc/47/33/14/518473314.db2.gz QAVDOSNHUDWOPS-NDZAJKAJSA-N 0 0 440.547 5.262 40 30 IKEBRN C/C(CCc1oc2c(cc(Br)cc2Br)c1-c1ccc(C)o1)=N/O ZINC000013406716 518475598 /nfs/dbraw/zinc/47/55/98/518475598.db2.gz KVQXCZPUDTWREV-UKWGHVSLSA-N 0 0 441.119 6.309 40 30 IKEBRN 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C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccccc3C)c3cc(Cl)c(O)cc3O2)N1 ZINC000012715362 519076302 /nfs/dbraw/zinc/07/63/02/519076302.db2.gz DWZPVAPVXDLQKE-KOSHJBKYSA-N 0 0 443.012 6.012 40 30 IKEBRN C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)N1 ZINC000006232565 519076460 /nfs/dbraw/zinc/07/64/60/519076460.db2.gz OVYRVZAGYCMZGR-AUSIDOKSSA-N 0 0 428.985 5.703 40 30 IKEBRN C=CCc1cc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)ccc1OC ZINC000072390671 519128245 /nfs/dbraw/zinc/12/82/45/519128245.db2.gz IDKZOWCHSXFNSL-DEOSSOPVSA-N 0 0 442.563 5.260 40 30 IKEBRN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N\c1ccc(/N=N\c2ccccc2)cc1 ZINC000101024818 519150013 /nfs/dbraw/zinc/15/00/13/519150013.db2.gz BBCGEOKSUREYKT-OUYNTLDRSA-N 0 0 441.516 6.959 40 30 IKEBRN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1Cl ZINC000032611902 519185231 /nfs/dbraw/zinc/18/52/31/519185231.db2.gz OOJFMENNZPYZND-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(SCc2ccc(OC)cc2)nnc(Nc2cccc(Cl)c2Cl)c1=O ZINC000028537151 519241965 /nfs/dbraw/zinc/24/19/65/519241965.db2.gz OKBCXKLZINWFNG-UHFFFAOYSA-N 0 0 449.363 5.176 40 30 IKEBRN CC(C)=CCC/C(C)=C/CC/C(C)=C\CCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O ZINC000085599718 519402670 /nfs/dbraw/zinc/40/26/70/519402670.db2.gz DKHGMERMDICWDU-CBCCJYJLSA-N 0 0 444.659 8.918 40 30 aggregator,investigational IKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1ccccc1Br ZINC000072228599 519446765 /nfs/dbraw/zinc/44/67/65/519446765.db2.gz FVXAYWWMLCJBSD-UHFFFAOYSA-N 0 0 431.359 5.736 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@H]32)C1 ZINC000245241021 519757015 /nfs/dbraw/zinc/75/70/15/519757015.db2.gz WKXDFOKWTASGPK-QGBFILQASA-N 0 0 432.604 5.664 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914945 519757155 /nfs/dbraw/zinc/75/71/55/519757155.db2.gz WKXDFOKWTASGPK-NHWBLNHMSA-N 0 0 432.604 5.664 40 30 IKEBRN CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000118917979 519758245 /nfs/dbraw/zinc/75/82/45/519758245.db2.gz MXZYUFNILISKBC-LIASLNQGSA-N 0 0 440.502 5.198 40 30 IKEBRN CC(C)c1ccc([C@@H]2c3c(N)nc(N4CCCCC4)nc3NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000020635500 519839678 /nfs/dbraw/zinc/83/96/78/519839678.db2.gz BPIYPYMUFAFGAI-NRFANRHFSA-N 0 0 445.611 5.373 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2C)S/C1=N\c1ccccc1 ZINC000013942725 519911265 /nfs/dbraw/zinc/91/12/65/519911265.db2.gz JTKJPGWNQOYENL-SIDNSYPESA-N 0 0 449.620 5.626 40 30 IKEBRN CCCCCC(=O)O[C@@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC[C@@H]3[C@]21C ZINC000022129826 519939432 /nfs/dbraw/zinc/93/94/32/519939432.db2.gz QRBQVZBJIUCHCA-FOVKYNBNSA-N 0 0 428.613 5.826 40 30 IKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)N[C@H](CO)Cc1ccc(O)cc1 ZINC000095862770 519967866 /nfs/dbraw/zinc/96/78/66/519967866.db2.gz ICDMLAQPOAVWNH-ZUCPIXAKSA-N 0 0 431.661 6.449 40 30 IKEBRN CCCCCCCCCCCC(=O)O[C@@H](COC(N)=O)COc1ccc(Cl)cc1 ZINC000073369136 519983739 /nfs/dbraw/zinc/98/37/39/519983739.db2.gz BVVYHAXRDCAAOB-HXUWFJFHSA-N 0 0 427.969 5.647 40 30 IKEBRN CCCCCCCCCCCCCCCCCC(=O)NC(=O)Nc1ccccc1Cl ZINC000104379985 519990086 /nfs/dbraw/zinc/99/00/86/519990086.db2.gz OCVHZUGRIZJLTH-UHFFFAOYSA-N 0 0 437.068 8.250 40 30 IKEBRN CCCCCCCCCCCCCCCCCC(=O)NC(=O)Nc1ccccc1OC ZINC000104379990 519990256 /nfs/dbraw/zinc/99/02/56/519990256.db2.gz WJBJHSKWTNKJNY-UHFFFAOYSA-N 0 0 432.649 7.605 40 30 IKEBRN CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CCCC[C@H]1C1CCCCC1 ZINC000104254092 519992371 /nfs/dbraw/zinc/99/23/71/519992371.db2.gz JIKPIFVOTIEWIG-VMPREFPWSA-N 0 0 448.776 9.930 40 30 IKEBRN CCCCCCCCCCCCCCCCCCSC1=CC(=O)c2ccccc2C1=O ZINC000095586819 519996463 /nfs/dbraw/zinc/99/64/63/519996463.db2.gz CTEHFYUCVZIPJQ-UHFFFAOYSA-N 0 0 442.709 8.944 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(Cl)cc1 ZINC000100355380 519998021 /nfs/dbraw/zinc/99/80/21/519998021.db2.gz DCFHCQYWHWVOGA-SZXQPVLSSA-N 0 0 438.125 7.619 40 30 IKEBRN CCCCCCCCCCCc1c(=O)c(=O)cc2[nH]c3cc(Cl)c(Cl)cc3[nH]c1-2 ZINC000085340970 520016858 /nfs/dbraw/zinc/01/68/58/520016858.db2.gz XCHWJSDBTDYRKF-UHFFFAOYSA-N 0 0 435.395 7.574 40 30 biogenic,in-vitro IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cncc(Br)c3)c(C)c2s1 ZINC000072228761 520183333 /nfs/dbraw/zinc/18/33/33/520183333.db2.gz WLYYVINRXKHJOE-MYKKPKGFSA-N 0 0 446.374 5.521 40 30 IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3ccc(Cl)cc3)c(C)c2s1 ZINC000072228821 520184739 /nfs/dbraw/zinc/18/47/39/520184739.db2.gz RAQAAGUTQYEYAV-MXAYSNPKSA-N 0 0 430.961 5.782 40 30 IKEBRN CCCOC(=O)c1nc(N(CC2CCCCC2)C(=O)NC)sc1/N=C\c1ccccc1 ZINC000104249681 520227251 /nfs/dbraw/zinc/22/72/51/520227251.db2.gz RDBNCCPXPVIYCL-MYYYXRDXSA-N 0 0 442.585 5.187 40 30 IKEBRN CC1(C)CC(=O)C(C(c2ccccc2C(F)(F)F)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100134577 520251982 /nfs/dbraw/zinc/25/19/82/520251982.db2.gz QGDIRBPFEOWIRU-IBGZPJMESA-N 0 0 436.470 5.565 40 30 IKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3cccc([N+](=O)[O-])c3)cc2)cc1 ZINC000016638603 520253294 /nfs/dbraw/zinc/25/32/94/520253294.db2.gz IEOFNRNEJPLQCK-NLRVBDNBSA-N 0 0 432.476 6.134 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000006077190 520269429 /nfs/dbraw/zinc/26/94/29/520269429.db2.gz ROABCZJZJLHQTN-XMMPIXPASA-N 0 0 432.907 6.711 40 30 IKEBRN CC1(C)CC(=O)C2=C(c3cccc(Oc4ccccc4)c3)Nc3ccc4ccccc4c3[C@H]2C1 ZINC000015277291 520272804 /nfs/dbraw/zinc/27/28/04/520272804.db2.gz UZZZQEDXUCOLRS-RUZDIDTESA-N 0 0 445.562 7.942 40 30 IKEBRN CCOC(=O)/C(=N\Nc1cc(C(F)(F)F)ccc1Cl)N1c2ccccc2C[C@H]1C ZINC000012524552 520397014 /nfs/dbraw/zinc/39/70/14/520397014.db2.gz RBZDMPNHKBUYND-SNILEUMVSA-N 0 0 425.838 5.099 40 30 IKEBRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]43C)[C@H]2C1 ZINC000087493105 520412660 /nfs/dbraw/zinc/41/26/60/520412660.db2.gz XQIVDOSRZQSWFL-FKYWLYPZSA-N 0 0 438.696 7.556 40 30 IKEBRN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(O)c1 ZINC000013477375 520556357 /nfs/dbraw/zinc/55/63/57/520556357.db2.gz NBRUHMFTBIDXIS-BEIQUOEZSA-N 0 0 441.578 5.175 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(N3CCCCC3)c(Cl)c2)ccc1OCc1ccccc1 ZINC000100384191 520644847 /nfs/dbraw/zinc/64/48/47/520644847.db2.gz SWQJGMCNSVMQKQ-VUTHCHCSSA-N 0 0 448.994 7.059 40 30 IKEBRN CCOc1cc(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)cc(Cl)c1O ZINC000035189689 520646992 /nfs/dbraw/zinc/64/69/92/520646992.db2.gz ZSUHLNNMMGSEKE-FISMNSNESA-N 0 0 430.707 5.466 40 30 IKEBRN CC1(C)[C@H](O[C@@H](C#N)c2cnc3ccccc3c2)[C@H]1C=C(Br)Br ZINC000035181708 520681908 /nfs/dbraw/zinc/68/19/08/520681908.db2.gz LAVBPVFCUCRKLJ-UKPHBRMFSA-N 0 0 436.147 5.472 40 30 IKEBRN CCCCO[C@H]1Oc2ccc(C)cc2C(=O)C1=CN=c1[nH]c2c(cccc2Cl)s1 ZINC000016639067 520846028 /nfs/dbraw/zinc/84/60/28/520846028.db2.gz IDRMWPKNUVIWBO-MQGIHEMASA-N 0 0 428.941 5.972 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 ZINC000008821208 520849319 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/nfs/dbraw/zinc/52/80/55/526528055.db2.gz PDTHESGUVCMFFV-BXBLUCELSA-N 0 0 447.442 5.951 40 30 IKEBRN Cc1sc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c32)c(C#N)c1C ZINC000012701117 526881887 /nfs/dbraw/zinc/88/18/87/526881887.db2.gz XVJFFLBMMDFCAW-UHFFFAOYSA-N 0 0 436.587 5.639 40 30 IKEBRN Clc1cc(Cl)c(NN=Cc2cn(-c3ccccc3)nc2-c2ccccc2)c(Cl)c1 ZINC000012500186 526928208 /nfs/dbraw/zinc/92/82/08/526928208.db2.gz PTMJEOHKDJNXIF-LGJNPRDNSA-N 0 0 441.749 6.946 40 30 IKEBRN Clc1ccc(N=NCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)nn1 ZINC000012577948 526954411 /nfs/dbraw/zinc/95/44/11/526954411.db2.gz CBTPHXAORJIKFJ-JVWAILMASA-N 0 0 444.922 5.734 40 30 IKEBRN O=C1C=C2C(=N[C@@]34CCCC[C@@H]3[C@@H](c3ccccc3)C=C(c3ccccc3)N24)c2ccccc21 ZINC000061880544 526960321 /nfs/dbraw/zinc/96/03/21/526960321.db2.gz WCSNDIBBXOJAOR-KQECVKDNSA-N 0 0 442.562 6.597 40 30 IKEBRN Clc1ccccc1/C=N/c1cc2c(cc1/C=C/c1ccccc1)C[C@H](c1ccccc1)N2 ZINC000004235257 526988135 /nfs/dbraw/zinc/98/81/35/526988135.db2.gz LXELOHAFCYYCOU-HFKRYZJJSA-N 0 0 434.970 7.970 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008821087 527040562 /nfs/dbraw/zinc/04/05/62/527040562.db2.gz KCQACIADWXEOEM-WOJGMQOQSA-N 0 0 425.853 5.400 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2c(Cl)cccc2Cl)o1 ZINC000012274892 527041929 /nfs/dbraw/zinc/04/19/29/527041929.db2.gz LRGHSOJCCGLQPR-LICLKQGHSA-N 0 0 433.291 6.284 40 30 IKEBRN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000009264959 527043581 /nfs/dbraw/zinc/04/35/81/527043581.db2.gz OKAFQPQYKNPOSU-GZTJUZNOSA-N 0 0 430.316 5.381 40 30 IKEBRN O=C1[C@@H](Cc2ccc(F)cc2)S/C(=N\N=C/c2ccc(Cl)cc2)N1Cc1ccco1 ZINC000039237442 527103583 /nfs/dbraw/zinc/10/35/83/527103583.db2.gz DCUGRKVJPDVMFU-NVSRCQEDSA-N 0 0 441.915 5.149 40 30 IKEBRN O=C1c2cccc3cc(/N=C/c4c(O)ccc5ccccc54)cc(c32)C(=O)N1c1ccccc1 ZINC000013550214 527125337 /nfs/dbraw/zinc/12/53/37/527125337.db2.gz ICEPYVXQZPLVBA-OCSSWDANSA-N 0 0 442.474 6.250 40 30 IKEBRN O=S(=O)(c1ccc(Cl)c(/N=C/c2ccccc2OC(F)F)c1)N1CCCCCC1 ZINC000102957944 527270745 /nfs/dbraw/zinc/27/07/45/527270745.db2.gz FLQWOPAXIFQSTG-ZVHZXABRSA-N 0 0 442.915 5.257 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cccc(Oc2ccc(Cl)cc2)c1 ZINC000012569945 527327657 /nfs/dbraw/zinc/32/76/57/527327657.db2.gz NNOZAVLJGQQRRV-BRJLIKDPSA-N 0 0 435.789 6.505 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NC(c2ccc(Cl)cc2)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000017156669 527358453 /nfs/dbraw/zinc/35/84/53/527358453.db2.gz DULWYMBTCVYVBN-FCDQGJHFSA-N 0 0 431.235 5.674 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/C(Br)=C/c1ccccc1 ZINC000013306024 527465768 /nfs/dbraw/zinc/46/57/68/527465768.db2.gz HGYLTINOWWQHLB-HNWBASRHSA-N 0 0 430.305 5.333 40 30 IKEBRN O=c1oc2ccc(Br)cc2cc1-c1cnc(N=NCc2ccccc2)s1 ZINC000012577064 527499740 /nfs/dbraw/zinc/49/97/40/527499740.db2.gz YHIAYBPVLNTNHD-LSHDLFTRSA-N 0 0 426.295 5.125 40 30 IKEBRN O=C(/C=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(Cl)c(Cl)c1 ZINC000002578593 527596208 /nfs/dbraw/zinc/59/62/08/527596208.db2.gz USSVJJXWWABDLJ-VOTSOKGWSA-N 0 0 429.269 5.531 40 30 IKEBRN O=C(/C=C/c1ccccc1)Nc1ccc(/C=C/C(=O)c2ccc(Br)cc2)cc1 ZINC000020508586 527632730 /nfs/dbraw/zinc/63/27/30/527632730.db2.gz ZZKBEJQDHVCQDQ-GONBZBRSSA-N 0 0 432.317 5.997 40 30 IKEBRN FC(F)(Cl)[C@@](F)(Cl)C(F)(F)[C@@](F)(Cl)C(F)(F)C(Cl)(Cl)Cl ZINC000095682117 527661653 /nfs/dbraw/zinc/66/16/53/527661653.db2.gz ZUBPFQXYAINABF-NHYDCYSISA-N 0 0 436.768 6.268 40 30 IKEBRN FC(F)(F)C(Cl)(c1ccc(C(Cl)(C(F)(F)F)C(F)(F)F)cc1)C(F)(F)F ZINC000095671331 527661806 /nfs/dbraw/zinc/66/18/06/527661806.db2.gz XRHPFOONVSUEOY-UHFFFAOYSA-N 0 0 447.046 6.804 40 30 IKEBRN FC(F)(Cl)[C@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)C(Cl)(Cl)Cl ZINC000095682116 527661951 /nfs/dbraw/zinc/66/19/51/527661951.db2.gz ZUBPFQXYAINABF-NCGGTJAESA-N 0 0 436.768 6.268 40 30 IKEBRN O=C(C(=Cn1c2cc([N+](=O)[O-])ccc2[nH]c1=S)C(=O)c1ccccc1)c1ccccc1 ZINC000005734225 527663715 /nfs/dbraw/zinc/66/37/15/527663715.db2.gz BMQNKFJDTKGIOL-UHFFFAOYSA-N 0 0 429.457 5.214 40 30 IKEBRN Cc1cc2cc(C#N)c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nc2cc1C ZINC000034791536 555507386 /nfs/dbraw/zinc/50/73/86/555507386.db2.gz PCLRAVWWYSMBSZ-UHFFFAOYSA-N 0 0 432.574 5.266 40 30 IKEBRN CC(=O)[C@]12O[C@](C)(c3ccccc3)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000000607700 555510770 /nfs/dbraw/zinc/51/07/70/555510770.db2.gz AHBKIEXBQNRDNL-YOZNJETKSA-N 0 0 448.603 5.744 40 30 IKEBRN COc1ccc(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)cc1OC ZINC000000822263 555564143 /nfs/dbraw/zinc/56/41/43/555564143.db2.gz BUEYLKHZRGSIHI-BRJLIKDPSA-N 0 0 426.303 6.305 40 30 IKEBRN CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(OC(F)F)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000001098256 555628032 /nfs/dbraw/zinc/62/80/32/555628032.db2.gz NNALQVPNWYVIHB-IBGZPJMESA-N 0 0 433.495 5.234 40 30 IKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000010272335 555696834 /nfs/dbraw/zinc/69/68/34/555696834.db2.gz SDYMIDMUFXWPCF-WEGIEPQNSA-N 0 0 438.514 6.415 40 30 IKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc3ccccc3c2)c(Cl)c1 ZINC000035045103 555702933 /nfs/dbraw/zinc/70/29/33/555702933.db2.gz NUQWAZNEIRYHJJ-BRJLIKDPSA-N 0 0 432.376 5.544 40 30 IKEBRN O=C1C=C(Nc2ccc(Cl)cc2Cl)C(=O)C=C1Nc1ccc(Cl)cc1Cl ZINC000001687455 555709611 /nfs/dbraw/zinc/70/96/11/555709611.db2.gz KXTRZDFLHFGYLV-UHFFFAOYSA-N 0 0 428.102 5.744 40 30 IKEBRN COc1ccc(C2=C(c3ccccc3)C(c3ccccc3)=C(c3ccc(OC)cc3)C2=O)cc1 ZINC000001697970 555709963 /nfs/dbraw/zinc/70/99/63/555709963.db2.gz DURKLCIFQNJMIT-UHFFFAOYSA-N 0 0 444.530 6.808 40 30 IKEBRN CC(=O)[C@@]12O[C@](C)(c3ccco3)O[C@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000001696706 555710053 /nfs/dbraw/zinc/71/00/53/555710053.db2.gz PDWGBWJIJZYLQQ-FHNGSDGUSA-N 0 0 438.564 5.337 40 30 IKEBRN COc1ccc([C@@H](C#N)CC(=O)c2ccc(OC)c(OCc3ccccc3)c2)cc1OC ZINC000002034261 555728392 /nfs/dbraw/zinc/72/83/92/555728392.db2.gz BGLSEDCONJOXMS-OAQYLSRUSA-N 0 0 431.488 5.172 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3cc(Cl)ccc3OC)c3ccccc32)c1 ZINC000408541406 555801095 /nfs/dbraw/zinc/80/10/95/555801095.db2.gz CNQHFGDOLBNMRV-MZJWZYIUSA-N 0 0 432.907 5.889 40 30 IKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000408560673 555901976 /nfs/dbraw/zinc/90/19/76/555901976.db2.gz NEGKCHNQLBWNRP-UHFFFAOYSA-N 0 0 430.662 5.154 40 30 IKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl ZINC000408560672 555901994 /nfs/dbraw/zinc/90/19/94/555901994.db2.gz NDIJKQFITVBGAH-UHFFFAOYSA-N 0 0 441.428 6.015 40 30 IKEBRN CCCCCCCc1nnc(SCC(=O)Nc2nc(-c3ccccc3)cs2)n1CC ZINC000408560640 555902010 /nfs/dbraw/zinc/90/20/10/555902010.db2.gz MPCALYBGXZEVTJ-UHFFFAOYSA-N 0 0 443.642 5.665 40 30 IKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1CC ZINC000408560979 555902671 /nfs/dbraw/zinc/90/26/71/555902671.db2.gz SLYCHWVWDOQQFU-UHFFFAOYSA-N 0 0 429.417 5.849 40 30 IKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1CC ZINC000408560911 555902676 /nfs/dbraw/zinc/90/26/76/555902676.db2.gz RFBQELYNFHTNEU-UHFFFAOYSA-N 0 0 429.417 5.849 40 30 IKEBRN CCOc1cc(C=C2CCCCC(C(=O)C(F)(F)F)=C2O)cc(Br)c1O ZINC000408563170 555907171 /nfs/dbraw/zinc/90/71/71/555907171.db2.gz JHHUJOCQRCDDTC-SFXQBQATSA-N 0 0 435.236 5.454 40 30 IKEBRN C=CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2cccc(C)c2)cc1Cl ZINC000408571970 555915658 /nfs/dbraw/zinc/91/56/58/555915658.db2.gz QDLYPGAWPHLTNA-HXUWFJFHSA-N 0 0 444.944 5.212 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2Cl)c(C)c1 ZINC000408576519 555926948 /nfs/dbraw/zinc/92/69/48/555926948.db2.gz VLNCTEOHOAJKQO-UHFFFAOYSA-N 0 0 445.902 5.437 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cccc2ccccc21 ZINC000408589359 555940186 /nfs/dbraw/zinc/94/01/86/555940186.db2.gz LMGCGNCPIHZFRI-ZVHZXABRSA-N 0 0 429.436 5.510 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)cc1 ZINC000003843633 555947753 /nfs/dbraw/zinc/94/77/53/555947753.db2.gz NVFBLCBUSIGTCH-YPMWIYOHSA-N 0 0 444.637 5.681 40 30 IKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000408595814 555962526 /nfs/dbraw/zinc/96/25/26/555962526.db2.gz OQEOBFURSKBJGQ-BRJLIKDPSA-N 0 0 442.744 5.932 40 30 IKEBRN C=CCOc1c(I)cc(CNc2ccc(F)c(Cl)c2)cc1OC ZINC000408603034 555972198 /nfs/dbraw/zinc/97/21/98/555972198.db2.gz AITJQXMQYNWMJI-UHFFFAOYSA-N 0 0 447.675 5.269 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccc(F)c(Cl)c1 ZINC000408608029 555972191 /nfs/dbraw/zinc/97/21/91/555972191.db2.gz MAQKPVLCQWKMMW-UHFFFAOYSA-N 0 0 449.545 6.181 40 30 IKEBRN O=C1CCCC2=C1C(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o1)C1=C(CCCC1=O)O2 ZINC000408604114 555973746 /nfs/dbraw/zinc/97/37/46/555973746.db2.gz SOPSHKUROJFLKS-UHFFFAOYSA-N 0 0 439.851 5.636 40 30 IKEBRN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](/N=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000004266669 555980746 /nfs/dbraw/zinc/98/07/46/555980746.db2.gz AXCIBLMNRMNTNI-HISHBMPDSA-N 0 0 434.496 5.234 40 30 IKEBRN C#CCOc1c(Br)cc(Br)cc1CNc1ccc(F)c(Cl)c1 ZINC000408610615 555980792 /nfs/dbraw/zinc/98/07/92/555980792.db2.gz QQONCPHEODQNQX-UHFFFAOYSA-N 0 0 447.529 5.628 40 30 IKEBRN CC1(C)[C@H]2CC[C@]1(C)[C@H](/N=C\c1ccc([N+](=O)[O-])cc1)[C@@H]2/N=C/c1ccc([N+](=O)[O-])cc1 ZINC000004266667 555980856 /nfs/dbraw/zinc/98/08/56/555980856.db2.gz AXCIBLMNRMNTNI-ASEPGDSNSA-N 0 0 434.496 5.234 40 30 IKEBRN N#CC(=NNc1cc(Cl)c(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)cs1 ZINC000004292789 555983740 /nfs/dbraw/zinc/98/37/40/555983740.db2.gz HAANUXIUWHUHIR-MFKUBSTISA-N 0 0 442.158 6.763 40 30 IKEBRN Cc1nc(C(C#N)=NNc2cccc(C(F)(F)F)c2)sc1N=Nc1ccc(F)cc1 ZINC000004292808 555983773 /nfs/dbraw/zinc/98/37/73/555983773.db2.gz LNEWGKONWVFIDI-MVUKJWRDSA-N 0 0 432.406 6.365 40 30 IKEBRN CCN(CC)c1ccc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000004622692 556004516 /nfs/dbraw/zinc/00/45/16/556004516.db2.gz JDOMHHJGEARESD-VWLOTQADSA-N 0 0 425.576 6.282 40 30 IKEBRN COc1ccc(C(=O)/C=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000408660525 556040644 /nfs/dbraw/zinc/04/06/44/556040644.db2.gz QGLWSANGIWIUJA-FOCLMDBBSA-N 0 0 428.915 6.977 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NC2=C(Cl)C(c3ccccc3)[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000005340154 556046630 /nfs/dbraw/zinc/04/66/30/556046630.db2.gz KNFNODSXKGDCHS-OILZTRLPSA-N 0 0 448.866 6.109 40 30 IKEBRN COc1cc(OC)c(NC(=O)O/N=C(\c2ccccc2)[C@@H](O)c2ccccc2)cc1Cl ZINC000005639613 556061338 /nfs/dbraw/zinc/06/13/38/556061338.db2.gz ATRLTKZSJCYHPY-BZMGOTJRSA-N 0 0 440.883 5.044 40 30 IKEBRN Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C\c1ccccc1 ZINC000005808917 556066477 /nfs/dbraw/zinc/06/64/77/556066477.db2.gz DDJHJUVZEFZWQV-ZCXUNETKSA-N 0 0 447.563 6.867 40 30 IKEBRN CCCCCCCCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@@H]2[C@H]4C3)cc1 ZINC000408674412 556067579 /nfs/dbraw/zinc/06/75/79/556067579.db2.gz ZJSJQIDRZDNXJQ-OOWPADAASA-N 0 0 441.568 5.120 40 30 IKEBRN O=C(CCCC(=O)O/C(=N/C1CCCCC1)NC1CCCCC1)OCc1ccccc1 ZINC000006864204 556107185 /nfs/dbraw/zinc/10/71/85/556107185.db2.gz VFDBQYUIDOZQED-UHFFFAOYSA-N 0 0 428.573 5.054 40 30 in-vitro IKEBRN CCc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCOC(C)C)cc1 ZINC000408703012 556107430 /nfs/dbraw/zinc/10/74/30/556107430.db2.gz ZXRZMHZERJDAKH-QFIPXVFZSA-N 0 0 441.955 5.296 40 30 IKEBRN Clc1ccccc1COc1ccc(/C=N/c2nc3c(s2)-c2ccccc2CC3)cc1 ZINC000408722544 556149072 /nfs/dbraw/zinc/14/90/72/556149072.db2.gz JZSLNLIZYMMOQF-JFLMPSFJSA-N 0 0 430.960 6.892 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1 ZINC000008615976 556192241 /nfs/dbraw/zinc/19/22/41/556192241.db2.gz FKBGHOIYIHEXNW-BDUWWWMKSA-N 0 0 426.578 5.331 40 30 IKEBRN C[C@H]1/C(=N\O)CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000008615617 556192247 /nfs/dbraw/zinc/19/22/47/556192247.db2.gz ZISSOKXBDZMEDP-UDQIVYFLSA-N 0 0 441.744 8.718 40 30 IKEBRN CCOc1ccccc1/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000408733036 556193509 /nfs/dbraw/zinc/19/35/09/556193509.db2.gz DKFPDRMYOYOWOE-CVKSISIWSA-N 0 0 435.932 6.923 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000408732820 556199281 /nfs/dbraw/zinc/19/92/81/556199281.db2.gz UBJDTGNYNKROOM-MWAVMZGNSA-N 0 0 443.506 7.470 40 30 IKEBRN O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000035646449 556204352 /nfs/dbraw/zinc/20/43/52/556204352.db2.gz MPHUNDVQCKBKLF-WQRHYEAKSA-N 0 0 443.297 5.740 40 30 IKEBRN O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000035646330 556204407 /nfs/dbraw/zinc/20/44/07/556204407.db2.gz NNPQBCPUXTYTRM-ZDLGFXPLSA-N 0 0 433.291 6.284 40 30 IKEBRN O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C/c1cccc(Br)c1 ZINC000035647542 556204423 /nfs/dbraw/zinc/20/44/23/556204423.db2.gz LKZYZVLWFKALNO-VGOFMYFVSA-N 0 0 428.138 5.648 40 30 IKEBRN Cc1cc(/C=N\c2ccc(I)cc2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408740226 556212026 /nfs/dbraw/zinc/21/20/26/556212026.db2.gz JINXULIIGDGFIT-QRVIBDJDSA-N 0 0 428.317 6.066 40 30 IKEBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741055 556213584 /nfs/dbraw/zinc/21/35/84/556213584.db2.gz NQJHOZBFCUPAAU-VCOZGABYSA-N 0 0 430.489 5.487 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820955 556221336 /nfs/dbraw/zinc/22/13/36/556221336.db2.gz BOCVJFZGFVMNPJ-VCHYOVAHSA-N 0 0 433.291 6.284 40 30 IKEBRN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820950 556221347 /nfs/dbraw/zinc/22/13/47/556221347.db2.gz UBBKYNLYLDXVGE-WOJGMQOQSA-N 0 0 448.853 6.510 40 30 IKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)S1 ZINC000008820804 556221379 /nfs/dbraw/zinc/22/13/79/556221379.db2.gz RAONPCXPRLWUPC-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000008821195 556222195 /nfs/dbraw/zinc/22/21/95/556222195.db2.gz HHXOZYWJFMCMJY-AUWJEWJLSA-N 0 0 427.791 5.159 40 30 IKEBRN Clc1cccc(Cl)c1CN/N=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000009196172 556254766 /nfs/dbraw/zinc/25/47/66/556254766.db2.gz CSYAJRYAJLVUSC-RWPZCVJISA-N 0 0 435.354 6.849 40 30 IKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cc(Cl)ccc1Cl ZINC000009196483 556254771 /nfs/dbraw/zinc/25/47/71/556254771.db2.gz RXAZQNMDKSAMAV-KIBLKLHPSA-N 0 0 441.189 6.831 40 30 IKEBRN COc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Br)c1OC(C)C ZINC000009197215 556255335 /nfs/dbraw/zinc/25/53/35/556255335.db2.gz ZJCYOPIPQYANDF-LSFURLLWSA-N 0 0 446.172 5.675 40 30 IKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1ccc(F)cc1 ZINC000009232230 556261742 /nfs/dbraw/zinc/26/17/42/556261742.db2.gz FSYSSJDSHCQFAQ-UHFFFAOYSA-N 0 0 431.419 5.298 40 30 IKEBRN COCCN1C(=O)/C(=C\c2ccc(Sc3ccccc3)o2)S/C1=N\c1ccccc1 ZINC000009311547 556279632 /nfs/dbraw/zinc/27/96/32/556279632.db2.gz JNZDVOKXDPDMSP-VSMSAFETSA-N 0 0 436.558 5.681 40 30 IKEBRN COc1ccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccccc4)cs3)cc2)cc1 ZINC000014257462 556410917 /nfs/dbraw/zinc/41/09/17/556410917.db2.gz FQCNGYOQVQQGIY-MFKUBSTISA-N 0 0 429.501 5.484 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408850643 556434587 /nfs/dbraw/zinc/43/45/87/556434587.db2.gz QBGKBPKWNQFNMF-IWIPYMOSSA-N 0 0 441.531 6.278 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N/C)N(C)C2=O)ccc1OCc1cccc2ccccc21 ZINC000408853097 556441697 /nfs/dbraw/zinc/44/16/97/556441697.db2.gz YOCUYSPDFXJHCL-GTZNUUOLSA-N 0 0 432.545 5.349 40 30 IKEBRN CN(C)c1oc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Br ZINC000408853949 556443010 /nfs/dbraw/zinc/44/30/10/556443010.db2.gz UCPCQQZQUZSYNU-AFUMVMLFSA-N 0 0 427.386 6.327 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000408855142 556443935 /nfs/dbraw/zinc/44/39/35/556443935.db2.gz CKWUEBOPSPRAHB-FRJDLFPQSA-N 0 0 427.614 5.818 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c(OC)c1 ZINC000408858087 556446633 /nfs/dbraw/zinc/44/66/33/556446633.db2.gz JJTUDIIDUVJQBZ-PZFZXBCHSA-N 0 0 440.540 5.780 40 30 IKEBRN Cc1c(Br)c(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccccc1 ZINC000408857286 556447083 /nfs/dbraw/zinc/44/70/83/556447083.db2.gz LQRWJTKYIFEIDY-WPWMEQJKSA-N 0 0 444.376 7.351 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)ccc1O ZINC000408858793 556451772 /nfs/dbraw/zinc/45/17/72/556451772.db2.gz LVOJHIJFPHNYAX-SHSCQTOKSA-N 0 0 440.540 5.867 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 ZINC000408861202 556454004 /nfs/dbraw/zinc/45/40/04/556454004.db2.gz PHANRYGBNKQGAF-OGEDYZLTSA-N 0 0 445.415 7.176 40 30 IKEBRN Cc1cc(C(C)N=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)ccc1F ZINC000014922437 556458657 /nfs/dbraw/zinc/45/86/57/556458657.db2.gz XBEKWRSLVQAXRD-LQKURTRISA-N 0 0 435.955 7.414 40 30 IKEBRN O=C1/C(=C/c2cccc(Cl)c2Cl)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408872809 556463792 /nfs/dbraw/zinc/46/37/92/556463792.db2.gz JDAGAFHZQPOIIB-NHTQPURVSA-N 0 0 449.378 7.069 40 30 IKEBRN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408875806 556465634 /nfs/dbraw/zinc/46/56/34/556465634.db2.gz HSSWTNQIVGYAOE-ZMCYPXNOSA-N 0 0 436.577 5.887 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc(OCC)c1O ZINC000408881584 556470044 /nfs/dbraw/zinc/47/00/44/556470044.db2.gz NNDQXLVFEYADNW-UNOMPAQXSA-N 0 0 428.941 5.373 40 30 IKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 ZINC000408881123 556470654 /nfs/dbraw/zinc/47/06/54/556470654.db2.gz JOMPGYYCJMXCNQ-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1[N+](=O)[O-] ZINC000408883752 556472904 /nfs/dbraw/zinc/47/29/04/556472904.db2.gz VXMHPJFXSFIJTG-MZURAFEFSA-N 0 0 439.512 5.979 40 30 IKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1cccc(Cl)c1 ZINC000408889225 556475331 /nfs/dbraw/zinc/47/53/31/556475331.db2.gz AWOLWXXISVRLCM-WYMPLXKRSA-N 0 0 426.860 5.067 40 30 IKEBRN COc1cccc(CN=Nc2ccc([N+](=O)[O-])cn2)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408890596 556476884 /nfs/dbraw/zinc/47/68/84/556476884.db2.gz WECGIIXKDPNIQQ-YSURURNPSA-N 0 0 447.278 5.330 40 30 IKEBRN CCOc1cc(C2C3=C(CCCC3=O)N(Cc3ccccc3)C3=C2C(=O)CCC3)ccc1O ZINC000408895809 556480912 /nfs/dbraw/zinc/48/09/12/556480912.db2.gz ISIGJMUTHLQORP-UHFFFAOYSA-N 0 0 443.543 5.405 40 30 IKEBRN CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC ZINC000408899551 556486311 /nfs/dbraw/zinc/48/63/11/556486311.db2.gz UWOVTEQJVWZMAD-UHFFFAOYSA-N 0 0 429.944 5.181 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc(OCC)c1OCC ZINC000408903574 556491339 /nfs/dbraw/zinc/49/13/39/556491339.db2.gz ZWXKPVBZFKUHPG-HMMYKYKNSA-N 0 0 425.575 5.618 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1c(C)cccc1C ZINC000408906358 556492259 /nfs/dbraw/zinc/49/22/59/556492259.db2.gz IQBJCERHTAZPBJ-BDOZFWBASA-N 0 0 442.584 6.506 40 30 IKEBRN COc1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccc(C)cc4)N(C)C3=O)c2C)cc1 ZINC000408906483 556492269 /nfs/dbraw/zinc/49/22/69/556492269.db2.gz BWHVCSKOPXPJHJ-HUOZHCEOSA-N 0 0 431.561 5.645 40 30 IKEBRN C=CCc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc(OCC)c1O ZINC000408906060 556492913 /nfs/dbraw/zinc/49/29/13/556492913.db2.gz GYQVDDAMQJOVJC-JUMVDPBBSA-N 0 0 436.577 5.760 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1OC ZINC000408907843 556493257 /nfs/dbraw/zinc/49/32/57/556493257.db2.gz PFZXMWDTSBHEST-MGFZLMGHSA-N 0 0 444.556 6.069 40 30 IKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 ZINC000408907861 556493270 /nfs/dbraw/zinc/49/32/70/556493270.db2.gz PNMZIZISIOQKJX-AKZSFNAJSA-N 0 0 439.540 5.954 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c1OC ZINC000408907918 556493605 /nfs/dbraw/zinc/49/36/05/556493605.db2.gz QFUSDUSSVGMVAV-HNEFAFEWSA-N 0 0 430.529 5.508 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1OC ZINC000408908860 556493934 /nfs/dbraw/zinc/49/39/34/556493934.db2.gz SPSRKUNNVGZNRY-RUEJZYPDSA-N 0 0 444.556 5.551 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccccc4C#N)cc3)C(=O)N2C)cc1 ZINC000408907347 556494475 /nfs/dbraw/zinc/49/44/75/556494475.db2.gz MHCUEMCGZZPYNX-YNTCVYINSA-N 0 0 439.540 5.680 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)ccc1O ZINC000408907581 556494687 /nfs/dbraw/zinc/49/46/87/556494687.db2.gz NVTGDYNVWRAXJW-HAWIIJGWSA-N 0 0 430.529 5.766 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2cn(C)c3ccccc23)C(=O)N1C1CCCCC1 ZINC000408910518 556495176 /nfs/dbraw/zinc/49/51/76/556495176.db2.gz GYSKKKUGSYDLHT-FUQOYWQNSA-N 0 0 443.616 6.677 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408911033 556495404 /nfs/dbraw/zinc/49/54/04/556495404.db2.gz IPFLTCAYKOVOIX-ZIGJTDFESA-N 0 0 429.383 6.162 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)c(OC)c2)C(=O)N1C1CCCCC1 ZINC000408911047 556495476 /nfs/dbraw/zinc/49/54/76/556495476.db2.gz IRXMHPHPQMHRJJ-UINIZAEWSA-N 0 0 434.605 6.503 40 30 IKEBRN CC[C@H](C)N1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccc(C)cc1 ZINC000408911042 556495497 /nfs/dbraw/zinc/49/54/97/556495497.db2.gz IRSJXQTWTNGHTK-KWLUMCIGSA-N 0 0 436.621 6.838 40 30 IKEBRN COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000408909692 556496643 /nfs/dbraw/zinc/49/66/43/556496643.db2.gz HWHXIHGGSXSILY-GCXIQGEKSA-N 0 0 434.948 6.153 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3c(F)cccc3Cl)C(=O)N2Cc2ccccc2)cc1 ZINC000408909529 556496705 /nfs/dbraw/zinc/49/67/05/556496705.db2.gz DKVZPOBOVJPBBY-MDISCOTOSA-N 0 0 436.939 6.592 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCC(C)C)c(OC)c2)S/C1=N\c1cc(C)ccc1C ZINC000408909762 556497094 /nfs/dbraw/zinc/49/70/94/556497094.db2.gz IBAXHBRRRDATRQ-WRIATZMJSA-N 0 0 438.593 5.971 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)c1O ZINC000408912625 556497594 /nfs/dbraw/zinc/49/75/94/556497594.db2.gz OFSDZQVVGWVBKE-LQLRGMOSSA-N 0 0 444.556 5.556 40 30 IKEBRN Cc1ccc(Sc2oc(/C=N\c3ccc(C)c([N+](=O)[O-])c3)cc2Br)cc1 ZINC000408913046 556497658 /nfs/dbraw/zinc/49/76/58/556497658.db2.gz KAHCWZOFFQAYLK-NHDPSOOVSA-N 0 0 431.311 6.469 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)ccc1C ZINC000408913275 556497714 /nfs/dbraw/zinc/49/77/14/556497714.db2.gz PSQJMRTXKVJGMW-YCJCGMCGSA-N 0 0 428.557 6.116 40 30 IKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 ZINC000408912704 556497719 /nfs/dbraw/zinc/49/77/19/556497719.db2.gz QZFXCHUKDNEPRS-OXOFAPQTSA-N 0 0 434.948 6.411 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1OCC ZINC000408912925 556497735 /nfs/dbraw/zinc/49/77/35/556497735.db2.gz OQXKIBXKUQBWRF-OQNHBUHUSA-N 0 0 438.593 6.195 40 30 IKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1OCc1ccccc1 ZINC000408912924 556497782 /nfs/dbraw/zinc/49/77/82/556497782.db2.gz IIRWUDJXQUOXQR-UHFFFAOYSA-N 0 0 449.300 5.499 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccc(C)cc1 ZINC000408911424 556497941 /nfs/dbraw/zinc/49/79/41/556497941.db2.gz JLUWSEGZZONNPA-DNLCFCFBSA-N 0 0 445.382 5.867 40 30 IKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408911961 556498349 /nfs/dbraw/zinc/49/83/49/556498349.db2.gz LFENNWUSBLZJCV-HKPGFAEHSA-N 0 0 430.573 6.559 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc21 ZINC000408912252 556499017 /nfs/dbraw/zinc/49/90/17/556499017.db2.gz DUAGJRMTWFMFBT-UHFFFAOYSA-N 0 0 435.435 5.790 40 30 IKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc1OC ZINC000408913413 556499265 /nfs/dbraw/zinc/49/92/65/556499265.db2.gz QRMDZJXPBWFLBD-OQNHBUHUSA-N 0 0 438.593 6.195 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccc(C)cc2)N([C@@H](C)CC)C1=O ZINC000408912531 556499422 /nfs/dbraw/zinc/49/94/22/556499422.db2.gz NKORXHPDVSCOJW-YFQYJQGQSA-N 0 0 428.985 6.450 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)c2ccccc12 ZINC000408914072 556499667 /nfs/dbraw/zinc/49/96/67/556499667.db2.gz SJIAAGXXJDTHTO-ONRZTLAHSA-N 0 0 444.600 6.949 40 30 IKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1 ZINC000408914645 556500044 /nfs/dbraw/zinc/50/00/44/556500044.db2.gz VMSXQFMMJNTZGS-KWPJTZOTSA-N 0 0 432.589 6.497 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2c(OC)ccc3ccccc32)S/C1=N\c1ccc(C)cc1 ZINC000408914424 556500080 /nfs/dbraw/zinc/50/00/80/556500080.db2.gz 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CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(Cl)c1OCC ZINC000408920107 556506116 /nfs/dbraw/zinc/50/61/16/556506116.db2.gz HEIWMTIXLFJTHS-UHFFFAOYSA-N 0 0 443.971 5.571 40 30 IKEBRN COc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2cccs2)cc1 ZINC000030823035 556507136 /nfs/dbraw/zinc/50/71/36/556507136.db2.gz PDUJMKBDRQIUOU-XMMPIXPASA-N 0 0 430.529 5.577 40 30 IKEBRN Cc1cc(C)c(C2(C)CC(/C(=N\O)c3cc4cc(Br)ccc4o3)C2)c(C)c1 ZINC000015230129 556513002 /nfs/dbraw/zinc/51/30/02/556513002.db2.gz XDIXYDGTNAQYNS-YYDJUVGSSA-N 0 0 426.354 6.667 40 30 IKEBRN CC1(C)CC(=O)C2=C(c3cccc(Oc4ccccc4)c3)Nc3ccc4ccccc4c3[C@@H]2C1 ZINC000015277289 556514906 /nfs/dbraw/zinc/51/49/06/556514906.db2.gz UZZZQEDXUCOLRS-VWLOTQADSA-N 0 0 445.562 7.942 40 30 IKEBRN COc1cccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1OC ZINC000408928111 556521933 /nfs/dbraw/zinc/52/19/33/556521933.db2.gz ZNYINRCHEUUXNZ-YUMHPJSZSA-N 0 0 434.561 5.325 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3ccc(Br)c(C)c3)c2C)C(=O)N1CC ZINC000408928339 556521971 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5.740 40 30 IKEBRN COc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccccc1 ZINC000408930970 556524119 /nfs/dbraw/zinc/52/41/19/556524119.db2.gz FMRKTAZCSLKDHA-WPWMEQJKSA-N 0 0 436.939 5.515 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Br)c1OC(C)C ZINC000408931457 556524129 /nfs/dbraw/zinc/52/41/29/556524129.db2.gz LVEMJBWSIKKACR-BUVRLJJBSA-N 0 0 447.373 5.222 40 30 IKEBRN Clc1ccccc1CN=Nc1nnc(N=NCc2ccccc2Cl)c2ccccc21 ZINC000031669979 556525521 /nfs/dbraw/zinc/52/55/21/556525521.db2.gz LPOIDRKFQZSROR-KGRJIBJCSA-N 0 0 435.318 5.829 40 30 IKEBRN COCCCN1C(=O)/C(=C/c2ccccc2Br)S/C1=N\c1ccccc1 ZINC000408932269 556525732 /nfs/dbraw/zinc/52/57/32/556525732.db2.gz VFBXTBJVHXQWFT-JHRGVAJVSA-N 0 0 431.355 5.090 40 30 IKEBRN CC1=Nc2cc(Cl)c(Cl)cc2N(C)/C1=C/C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000031759898 556526178 /nfs/dbraw/zinc/52/61/78/556526178.db2.gz XKFQSLPTTUGNBQ-REZTVBANSA-N 0 0 431.706 5.992 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc(F)c1 ZINC000408932623 556526397 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CNZKLPGQCNOALY-LGJNPRDNSA-N 0 0 434.879 6.112 40 30 IKEBRN COc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O ZINC000032115416 556531583 /nfs/dbraw/zinc/53/15/83/556531583.db2.gz WNLYCMJYHQOVHD-JQAMDZJQSA-N 0 0 449.240 6.545 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(SCCO)c([N+](=O)[O-])c3)sc2C1 ZINC000032124566 556533409 /nfs/dbraw/zinc/53/34/09/556533409.db2.gz ONZCQCYEERRGMX-GMJSKMFWSA-N 0 0 443.594 5.514 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(SCCO)c([N+](=O)[O-])c3)sc2C1 ZINC000032124567 556533421 /nfs/dbraw/zinc/53/34/21/556533421.db2.gz ONZCQCYEERRGMX-MMTYYTLLSA-N 0 0 443.594 5.514 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408940354 556537987 /nfs/dbraw/zinc/53/79/87/556537987.db2.gz NVOMMVBBNMJINM-RCUHJWHVSA-N 0 0 438.958 6.929 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408940332 556538008 /nfs/dbraw/zinc/53/80/08/556538008.db2.gz NUUAYLBDFIVHFW-NXDGOGJJSA-N 0 0 434.539 6.284 40 30 IKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc(Cl)c1O ZINC000408940636 556540519 /nfs/dbraw/zinc/54/05/19/556540519.db2.gz OIIFMJABSPBYFX-JDVLXGQCSA-N 0 0 444.962 7.021 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408944955 556542501 /nfs/dbraw/zinc/54/25/01/556542501.db2.gz VPHKNZNFVYJJBP-GDLADBNMSA-N 0 0 444.578 7.816 40 30 IKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408945127 556542846 /nfs/dbraw/zinc/54/28/46/556542846.db2.gz VXQCNZLOLGWAFJ-WNNHNUONSA-N 0 0 428.963 7.234 40 30 IKEBRN COc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408945124 556543006 /nfs/dbraw/zinc/54/30/06/556543006.db2.gz VXQCNZLOLGWAFJ-VFPNWMIRSA-N 0 0 428.963 7.234 40 30 IKEBRN COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000408946503 556546943 /nfs/dbraw/zinc/54/69/43/556546943.db2.gz YUGDSLGFNFAXCS-VIZOYTHASA-N 0 0 436.689 5.006 40 30 IKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc4ncccc4c3)N(C)C2=O)cc1 ZINC000408955705 556559705 /nfs/dbraw/zinc/55/97/05/556559705.db2.gz YQHNAZYTVPQARY-WNOHRPASSA-N 0 0 440.528 5.268 40 30 IKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(C[C@H]2CCCO2)C1=O ZINC000408960274 556563143 /nfs/dbraw/zinc/56/31/43/556563143.db2.gz KNLHNANFGSPBBV-XNIFAAPXSA-N 0 0 447.604 5.378 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408962249 556564980 /nfs/dbraw/zinc/56/49/80/556564980.db2.gz RISGCPOVICPXPJ-SSDVNMTOSA-N 0 0 431.517 5.023 40 30 IKEBRN CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(N4CCCC4)cc3C)C(=O)N2C)cc1 ZINC000408962283 556565027 /nfs/dbraw/zinc/56/50/27/556565027.db2.gz XZRGRSLKXBFLSK-JUQJSGDGSA-N 0 0 449.576 5.006 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1OC ZINC000408963406 556568396 /nfs/dbraw/zinc/56/83/96/556568396.db2.gz ZGWCTHCAGRUIPM-MBNTZHJCSA-N 0 0 434.920 5.557 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Cl)c1OC(C)C ZINC000408963482 556569116 /nfs/dbraw/zinc/56/91/16/556569116.db2.gz ZRQXRYRUYGROAM-WOJGMQOQSA-N 0 0 434.920 5.557 40 30 IKEBRN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(OC(F)F)cc1 ZINC000033957370 556570485 /nfs/dbraw/zinc/57/04/85/556570485.db2.gz VGYMEBWQLDCBIR-IXIYCRNMSA-N 0 0 438.518 6.325 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2cccc(I)c2)c1C ZINC000408967594 556576350 /nfs/dbraw/zinc/57/63/50/556576350.db2.gz RDQUZYVPLSISHO-UCQKPKSFSA-N 0 0 428.317 6.012 40 30 IKEBRN Oc1ccc(/C=N/c2ccc(Br)c(Cl)c2)cc1I ZINC000408966103 556578287 /nfs/dbraw/zinc/57/82/87/556578287.db2.gz YZPSZHXASSWDFF-REZTVBANSA-N 0 0 436.474 5.163 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1C ZINC000408966226 556578919 /nfs/dbraw/zinc/57/89/19/556578919.db2.gz KOMPABQCDDHPDR-UZWMFBFFSA-N 0 0 436.643 7.875 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)S2)cc1 ZINC000408966272 556579354 /nfs/dbraw/zinc/57/93/54/556579354.db2.gz ZCWZKBLWWPMRAS-WOJGMQOQSA-N 0 0 431.355 5.436 40 30 IKEBRN COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1C ZINC000408970609 556588609 /nfs/dbraw/zinc/58/86/09/556588609.db2.gz JEMQKSOIIZOVOY-WPWMEQJKSA-N 0 0 432.589 6.727 40 30 IKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(Br)cc1F ZINC000016268489 556596026 /nfs/dbraw/zinc/59/60/26/556596026.db2.gz OTZXKQCVSZMKLX-JJFYIABZSA-N 0 0 431.265 5.350 40 30 IKEBRN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccccc1Cl ZINC000016268169 556596036 /nfs/dbraw/zinc/59/60/36/556596036.db2.gz AZQHCAVBKVTHQL-GOSISDBHSA-N 0 0 429.734 6.863 40 30 IKEBRN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000016268127 556596049 /nfs/dbraw/zinc/59/60/49/556596049.db2.gz MGPUFQSCVJRWDJ-IBGZPJMESA-N 0 0 429.734 6.863 40 30 IKEBRN Clc1cccc(N=CC=C(Nc2cccc(Cl)c2)c2ccc(Br)cc2)c1 ZINC000016398866 556605031 /nfs/dbraw/zinc/60/50/31/556605031.db2.gz DMNSYNPOOVHBLO-GVYGDHJUSA-N 0 0 446.175 7.611 40 30 IKEBRN O=C(C=CNc1ccc(-c2ccc(NC=CC(=O)c3cccnc3)cc2)cc1)c1cccnc1 ZINC000016429890 556607275 /nfs/dbraw/zinc/60/72/75/556607275.db2.gz YHXPDHJDRWYOGT-JTFWXBGUSA-N 0 0 446.510 5.761 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccccc1OCc1ccccc1Cl ZINC000016450096 556609178 /nfs/dbraw/zinc/60/91/78/556609178.db2.gz ILSDVUZNYNMNMF-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN Oc1c(Cl)cc(Cc2ccccc2Cl)cc1/C=N/c1ccc2c3c(cccc31)CC2 ZINC000016450154 556609253 /nfs/dbraw/zinc/60/92/53/556609253.db2.gz VAFSFHKPRNLMOI-WKULSOCRSA-N 0 0 432.350 7.292 40 30 IKEBRN O=[N+]([O-])c1ccc(CC=C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccs2)cc1 ZINC000100929459 556611199 /nfs/dbraw/zinc/61/11/99/556611199.db2.gz DDBVHHKTZOBZRM-PRCYJIJMSA-N 0 0 439.409 5.002 40 30 IKEBRN O=C(Oc1ccc(/C=C2\C(=O)ON=C2c2ccc(Br)cc2)cc1)c1ccccc1 ZINC000408973295 556611893 /nfs/dbraw/zinc/61/18/93/556611893.db2.gz ALWJYZTXYDWQLJ-ZHZULCJRSA-N 0 0 448.272 5.013 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1C ZINC000408975304 556615678 /nfs/dbraw/zinc/61/56/78/556615678.db2.gz MAMIOQLAOFGTJY-MFKUBSTISA-N 0 0 428.517 6.448 40 30 IKEBRN COc1ccc2cc(Br)ccc2c1/C=N/c1c(C)nn(-c2ccccc2)c1C ZINC000408975066 556615688 /nfs/dbraw/zinc/61/56/88/556615688.db2.gz JMUUOUCISOLYRY-AFUMVMLFSA-N 0 0 434.337 6.164 40 30 IKEBRN CC(C)c1ccc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000408974854 556615690 /nfs/dbraw/zinc/61/56/90/556615690.db2.gz HPACWVYZGOLZSZ-HHHXNRCGSA-N 0 0 440.543 7.181 40 30 IKEBRN CCCCCCc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(CCCC)cc3)cc2)cc1 ZINC000016638408 556619301 /nfs/dbraw/zinc/61/93/01/556619301.db2.gz PISITWOMBHPRRW-UQRQXUALSA-N 0 0 441.615 8.122 40 30 IKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(CCCC)cc3)cc2)cc1 ZINC000016638590 556619357 /nfs/dbraw/zinc/61/93/57/556619357.db2.gz BJLSDAMCJAVFCJ-JBASAIQMSA-N 0 0 443.587 7.568 40 30 IKEBRN C=CCN(c1ccc(C(=O)N[C@@H](CC)c2ccccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224378483 556622383 /nfs/dbraw/zinc/62/23/83/556622383.db2.gz OTHRMXHJXVUULY-VWLOTQADSA-N 0 0 448.588 5.257 40 30 IKEBRN CCN(CC)C(=O)C(=O)[C@H](SC(=Nc1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000016678380 556623208 /nfs/dbraw/zinc/62/32/08/556623208.db2.gz KVAHJXYMBKRQHL-XMMPIXPASA-N 0 0 445.588 5.698 40 30 IKEBRN Cc1ccc(-c2nc(N=NC=CCc3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408975960 556625764 /nfs/dbraw/zinc/62/57/64/556625764.db2.gz NZZHKYBJMWURSH-HKHMTEBVSA-N 0 0 440.528 6.805 40 30 IKEBRN CCOc1cc(Cl)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O ZINC000016688200 556626021 /nfs/dbraw/zinc/62/60/21/556626021.db2.gz BBYDXUAAYKMIGB-BRJLIKDPSA-N 0 0 428.838 5.050 40 30 IKEBRN CCOc1cc(Cl)cc(/C=N/c2ccc(I)cc2Cl)c1O ZINC000016688212 556626038 /nfs/dbraw/zinc/62/60/38/556626038.db2.gz DVPJYDRACSTHCD-UFWORHAWSA-N 0 0 436.076 5.453 40 30 IKEBRN c1coc(-c2nc(N=NCc3ccc(OCc4ccccc4)cc3)sc2-c2ccco2)c1 ZINC000408977153 556630104 /nfs/dbraw/zinc/63/01/04/556630104.db2.gz UPSVIFNGPDTYFL-QQXSKIMKSA-N 0 0 441.512 6.688 40 30 IKEBRN CC(C)c1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)c(C#N)cc2c1 ZINC000013503479 556630503 /nfs/dbraw/zinc/63/05/03/556630503.db2.gz JSSCUAIECICLLB-UHFFFAOYSA-N 0 0 429.467 5.979 40 30 IKEBRN CC(C)c1ccc2nc(SCC(=O)Nc3ccccc3Br)c(C#N)cc2c1 ZINC000013503477 556630515 /nfs/dbraw/zinc/63/05/15/556630515.db2.gz QGARWLAMXMJMIL-UHFFFAOYSA-N 0 0 440.366 5.723 40 30 IKEBRN Cc1ccc(/C=N/c2oc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)c2C#N)cc1 ZINC000408978024 556633680 /nfs/dbraw/zinc/63/36/80/556633680.db2.gz XSGZRIJBOKTSNE-QNKGDIEWSA-N 0 0 438.530 8.211 40 30 IKEBRN C=CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224618192 556637191 /nfs/dbraw/zinc/63/71/91/556637191.db2.gz LHYVPVUXMRYZNR-UHFFFAOYSA-N 0 0 440.270 5.402 40 30 IKEBRN CCOC(=O)/C(C)=C1/N=C(c2ccccc2)O/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000016940272 556649249 /nfs/dbraw/zinc/64/92/49/556649249.db2.gz OKIBUTSBBORVHP-PTFDLSMVSA-N 0 0 437.584 5.581 40 30 IKEBRN CCOc1ccc(Nc2nc(C)c(C(=O)/C=C/c3ccc(Cl)cc3Cl)s2)cc1 ZINC000016957590 556650588 /nfs/dbraw/zinc/65/05/88/556650588.db2.gz QYXSTIHICCBGGU-VZUCSPMQSA-N 0 0 433.360 6.797 40 30 IKEBRN Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)c1 ZINC000083316791 556663841 /nfs/dbraw/zinc/66/38/41/556663841.db2.gz SAUSAIAFHZDIOQ-MTJSOVHGSA-N 0 0 433.489 5.232 40 30 IKEBRN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(O)c(Br)c1 ZINC000083326588 556663887 /nfs/dbraw/zinc/66/38/87/556663887.db2.gz OXCBEKAUYUJXAV-QPEQYQDCSA-N 0 0 444.137 5.353 40 30 IKEBRN C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224939525 556667256 /nfs/dbraw/zinc/66/72/56/556667256.db2.gz XHXRNRMKJWZKBM-UHFFFAOYSA-N 0 0 444.689 6.047 40 30 IKEBRN COC(=O)[C@@H](CP(C)(C)=O)C(/N=C(\C)C(F)(F)F)(c1ccccc1)c1ccccc1 ZINC000017139824 556669482 /nfs/dbraw/zinc/66/94/82/556669482.db2.gz AXKGADSQHBNSTG-DZTFFZQKSA-N 0 0 439.414 5.365 40 30 IKEBRN COc1ccc(-c2c(-c3ccccc3)oc(/N=C/c3ccccc3)c2-c2ccccc2)cc1 ZINC000017142838 556669712 /nfs/dbraw/zinc/66/97/12/556669712.db2.gz IWXOJESVRTVDCD-NJZRLIGZSA-N 0 0 429.519 8.040 40 30 IKEBRN Clc1ccccc1/C=N/c1ccc2c(c1)Cc1cc(/N=C\c3ccccc3Cl)ccc1-2 ZINC000017325283 556675678 /nfs/dbraw/zinc/67/56/78/556675678.db2.gz XGFBVDAHUXIEKP-RQCICOGXSA-N 0 0 441.361 8.066 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)S2)cc1 ZINC000408758844 556681507 /nfs/dbraw/zinc/68/15/07/556681507.db2.gz SHCMNSKWKZLWHL-JLPGSUDCSA-N 0 0 429.589 6.111 40 30 IKEBRN C=CCOc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1 ZINC000225346526 556682070 /nfs/dbraw/zinc/68/20/70/556682070.db2.gz IPNAIMBHIZMBML-UHFFFAOYSA-N 0 0 427.422 5.778 40 30 IKEBRN Clc1ccc(/C=N/CCCCCC/N=C/c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000018038353 556682157 /nfs/dbraw/zinc/68/21/57/556682157.db2.gz PKMQIKOITVWFIY-BKHCZYBLSA-N 0 0 430.206 7.399 40 30 IKEBRN C=CCOc1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 ZINC000225346584 556682164 /nfs/dbraw/zinc/68/21/64/556682164.db2.gz BWXIRVVRFUFVMT-UHFFFAOYSA-N 0 0 427.422 5.778 40 30 IKEBRN C=CCOc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cc1C(F)(F)F ZINC000225954320 556683423 /nfs/dbraw/zinc/68/34/23/556683423.db2.gz PZLOQWQZPGDLLO-UHFFFAOYSA-N 0 0 439.405 5.100 40 30 IKEBRN C=CCOc1ccc(NC(=O)C(CC)(c2ccccc2)c2ccccc2)cc1C(F)(F)F ZINC000225956120 556683427 /nfs/dbraw/zinc/68/34/27/556683427.db2.gz YOMAVYHNBSNNQE-UHFFFAOYSA-N 0 0 439.477 6.605 40 30 IKEBRN C=CCOc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)cn1 ZINC000225936238 556683430 /nfs/dbraw/zinc/68/34/30/556683430.db2.gz QFSNCGYAJYRXMT-UHFFFAOYSA-N 0 0 434.539 5.814 40 30 IKEBRN C=CCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1C(F)(F)F ZINC000225955973 556683433 /nfs/dbraw/zinc/68/34/33/556683433.db2.gz RJAOHYLOCFMMSZ-UHFFFAOYSA-N 0 0 425.450 6.215 40 30 IKEBRN Cc1nc(-c2ccc(/N=C/c3ccc(N4CCC5(CCCCC5)CC4)cc3)cc2)cs1 ZINC000018178255 556685808 /nfs/dbraw/zinc/68/58/08/556685808.db2.gz YPJQRFCSDXOVNI-TURZUDJPSA-N 0 0 429.633 7.420 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 ZINC000408759804 556687005 /nfs/dbraw/zinc/68/70/05/556687005.db2.gz MBESUVDMTQZYDI-JLPGSUDCSA-N 0 0 428.557 6.028 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4nc5ccccc5[nH]4)cc3)S2)cc1 ZINC000408759646 556687007 /nfs/dbraw/zinc/68/70/07/556687007.db2.gz IPMXMFPARILZJX-HMAPJEAMSA-N 0 0 440.528 5.342 40 30 IKEBRN CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(CC)cc2)NC1=O ZINC000408760477 556687232 /nfs/dbraw/zinc/68/72/32/556687232.db2.gz ZEVPXDCJQIQMCX-PDGQHHTCSA-N 0 0 431.355 5.302 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)cc1 ZINC000408760758 556687487 /nfs/dbraw/zinc/68/74/87/556687487.db2.gz FNSZYENKYMYMCX-NDENLUEZSA-N 0 0 435.461 5.063 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC#N ZINC000408761329 556687858 /nfs/dbraw/zinc/68/78/58/556687858.db2.gz IOIWOBRPSCIJNR-JWGURIENSA-N 0 0 447.560 5.170 40 30 IKEBRN N#Cc1ccccc1COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1 ZINC000408987738 556691461 /nfs/dbraw/zinc/69/14/61/556691461.db2.gz GLOYDXXTCXGHCI-UHFFFAOYSA-N 0 0 441.556 6.174 40 30 IKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cccc(Cl)c1 ZINC000000676296 556691709 /nfs/dbraw/zinc/69/17/09/556691709.db2.gz DGOIDBMIVMSBTM-HSZRJFAPSA-N 0 0 434.967 5.891 40 30 IKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000170414892 556692575 /nfs/dbraw/zinc/69/25/75/556692575.db2.gz AOGCZIZFXAISFD-NRFANRHFSA-N 0 0 441.593 5.439 40 30 IKEBRN Cc1cc(C)c(COc2ccc(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)cc2)c(C)c1 ZINC000408988161 556693490 /nfs/dbraw/zinc/69/34/90/556693490.db2.gz HGSKSHOTFPDCBP-OYKKKHCWSA-N 0 0 446.547 6.222 40 30 IKEBRN Cc1ccc(N2C(=O)C[C@@H](Sc3nc(C(C)(C)C)cc(C(F)(F)F)c3C#N)C2=O)cc1 ZINC000261526539 556698862 /nfs/dbraw/zinc/69/88/62/556698862.db2.gz AAOXEVPNWFSATE-MRXNPFEDSA-N 0 0 447.482 5.002 40 30 IKEBRN CCCCCCCCNC(=S)Nc1ccc2nc3cc(OC)c(OC)cc3nc2c1 ZINC000408994194 556709518 /nfs/dbraw/zinc/70/95/18/556709518.db2.gz HCFXYWWTNHPIRU-UHFFFAOYSA-N 0 0 426.586 5.447 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)S2)cc1 ZINC000408994216 556709534 /nfs/dbraw/zinc/70/95/34/556709534.db2.gz YDVYVIXOFYQHEZ-UYRXBGFRSA-N 0 0 448.529 5.341 40 30 IKEBRN COCc1cc(C)nc(N=NCc2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)c1C#N ZINC000409008607 556714214 /nfs/dbraw/zinc/71/42/14/556714214.db2.gz YOVGXNDQVPEHHV-KBKYJPHKSA-N 0 0 442.350 5.568 40 30 IKEBRN O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)SC(=Nc2ccccc2)N1C[C@H]1CCCO1 ZINC000409012176 556715549 /nfs/dbraw/zinc/71/55/49/556715549.db2.gz JDBCRWSFKKABSX-WLLJNVQWSA-N 0 0 448.519 5.869 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=N\c2ccc(I)cc2C)cc1Cl ZINC000409012329 556715621 /nfs/dbraw/zinc/71/56/21/556715621.db2.gz QNWFYQATFMVGHU-GMDDEGIZSA-N 0 0 427.713 6.181 40 30 IKEBRN O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)SC(=Nc2ccccc2)N1Cc1ccco1 ZINC000409013298 556716324 /nfs/dbraw/zinc/71/63/24/556716324.db2.gz MTZPLWUVPISYRG-YOIRLTMBSA-N 0 0 444.487 6.483 40 30 IKEBRN Cc1cccc(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)c1C ZINC000409015903 556719344 /nfs/dbraw/zinc/71/93/44/556719344.db2.gz PIRXQEHUANHDIX-WXXKQLPBSA-N 0 0 442.628 7.692 40 30 IKEBRN Cc1ccc(-n2cccc2/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl ZINC000409016503 556719625 /nfs/dbraw/zinc/71/96/25/556719625.db2.gz UMRALDSJVJTHHP-NDENLUEZSA-N 0 0 442.371 6.293 40 30 IKEBRN N#Cc1ccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4)N(c4ccccc4)C3=O)o2)cc1 ZINC000409017371 556721538 /nfs/dbraw/zinc/72/15/38/556721538.db2.gz NQZUWXPUFIRCGB-WAMJVRJTSA-N 0 0 447.519 6.627 40 30 IKEBRN COc1cc([C@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c([N+](=O)[O-])cc1O ZINC000000851455 556721958 /nfs/dbraw/zinc/72/19/58/556721958.db2.gz WXWJUPFMZBMIRT-RUZDIDTESA-N 0 0 444.487 5.772 40 30 IKEBRN Cc1ccc(-n2cccc2/C=N\c2ccc(I)cc2C)cc1Cl ZINC000409021063 556723350 /nfs/dbraw/zinc/72/33/50/556723350.db2.gz XJYSSILIOUMYBC-UUYOSTAYSA-N 0 0 434.708 6.103 40 30 IKEBRN Cc1ccc2cc(C#N)c(SCC(=O)N3c4ccccc4Sc4ccccc43)nc2c1 ZINC000000899132 556741657 /nfs/dbraw/zinc/74/16/57/556741657.db2.gz WRCIMLMSXKOXHW-UHFFFAOYSA-N 0 0 439.565 6.337 40 30 IKEBRN C=CCn1c(SCc2ccc(Br)cc2)nnc1[C@H](C)Oc1ccccc1 ZINC000013850316 556746337 /nfs/dbraw/zinc/74/63/37/556746337.db2.gz FFMFMEKYFXEQTC-HNNXBMFYSA-N 0 0 430.371 5.659 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@H](C)Oc1ccccc1 ZINC000013850573 556746345 /nfs/dbraw/zinc/74/63/45/556746345.db2.gz WDRJYEFPSRDVAD-INIZCTEOSA-N 0 0 442.972 5.297 40 30 IKEBRN O/N=C/c1cc(Br)cc(Br)c1OCc1cccc2ccccc21 ZINC000409041526 556749701 /nfs/dbraw/zinc/74/97/01/556749701.db2.gz JWTORVUUFFXOCS-UFFVCSGVSA-N 0 0 435.115 5.752 40 30 IKEBRN CCC1=C(CC)[C@@H](CC)C[C@@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O ZINC000001108189 556750479 /nfs/dbraw/zinc/75/04/79/556750479.db2.gz BQIGNKOHMRZTIZ-MHECFPHRSA-N 0 0 425.594 5.744 40 30 IKEBRN Cc1ccc(NC(=O)c2c(/N=C/c3ccc(N4CCCC4)cc3)sc3c2CCCC3)cc1 ZINC000409051171 556754527 /nfs/dbraw/zinc/75/45/27/556754527.db2.gz BGJNKODNPGNFQE-MTDXEUNCSA-N 0 0 443.616 6.538 40 30 IKEBRN COc1c(Cl)cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000409058861 556756487 /nfs/dbraw/zinc/75/64/87/556756487.db2.gz UGMOSMQAELROIK-UHFFFAOYSA-N 0 0 448.390 5.975 40 30 IKEBRN Fc1ccc(COc2ccc(C=NN3C(=S)N=NC3c3ccccc3)cc2Cl)cc1 ZINC000409053657 556757646 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556775570 /nfs/dbraw/zinc/77/55/70/556775570.db2.gz LCANGBHPTBNMBG-LICLKQGHSA-N 0 0 438.307 5.934 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(OCc2ccc(F)cc2)cc1 ZINC000409076090 556777068 /nfs/dbraw/zinc/77/70/68/556777068.db2.gz XRELRPHNSKANMZ-RPPGKUMJSA-N 0 0 433.361 5.778 40 30 IKEBRN CCOc1ccc(Br)cc1CN=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409069550 556777491 /nfs/dbraw/zinc/77/74/91/556777491.db2.gz DJHUKVIUHQIBPX-ZVBGSRNCSA-N 0 0 432.196 5.221 40 30 IKEBRN COCc1cc(C)nc(N=NCc2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)c1C#N ZINC000409077816 556777959 /nfs/dbraw/zinc/77/79/59/556777959.db2.gz ADLZMYDPPDPAJB-MUXKCCDJSA-N 0 0 430.552 5.028 40 30 IKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCc1ccccc1 ZINC000409076745 556780608 /nfs/dbraw/zinc/78/06/08/556780608.db2.gz CCJTZZGXLKHQRV-KQWNVCNZSA-N 0 0 425.484 5.347 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1OC ZINC000409077490 556782060 /nfs/dbraw/zinc/78/20/60/556782060.db2.gz FPWDUHPOEBFJFK-AGSDWXNQSA-N 0 0 430.957 5.617 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3O)c2C(=O)Nc2ccccc2)C1 ZINC000409078638 556782374 /nfs/dbraw/zinc/78/23/74/556782374.db2.gz HSDQQOJJGIAXQM-ZQZJVFIWSA-N 0 0 432.589 6.608 40 30 IKEBRN Cc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)c(C)n1C ZINC000409078466 556785645 /nfs/dbraw/zinc/78/56/45/556785645.db2.gz IGUBBEWZRCOJMB-SGTHAQTGSA-N 0 0 447.648 6.857 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cccc(OCc4ccccc4)c3)sc2C1 ZINC000409082220 556789654 /nfs/dbraw/zinc/78/96/54/556789654.db2.gz RUHOETUAJBJNTO-OHPNAPQJSA-N 0 0 428.601 7.100 40 30 IKEBRN Cc1ccc(COc2ccc(Br)cc2/C=C2\C(=O)ON=C2c2ccccc2)cc1 ZINC000409082951 556789667 /nfs/dbraw/zinc/78/96/67/556789667.db2.gz UHFYOJNEKXOYMA-STZFKDTASA-N 0 0 448.316 5.681 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccccc3OCc3ccccc3F)sc2C1 ZINC000409082401 556789732 /nfs/dbraw/zinc/78/97/32/556789732.db2.gz JCKYTGSDDNGRSM-OSGIAPPUSA-N 0 0 446.591 7.239 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(I)cc3)sc2C1 ZINC000409082756 556789744 /nfs/dbraw/zinc/78/97/44/556789744.db2.gz NAKHXYUPXBWFLN-XMTZNVEYSA-N 0 0 448.373 6.126 40 30 IKEBRN C#CCOc1ccc(Cl)cc1/C=C1\S/C(=N/c2ccc(Cl)cc2)N(CCC)C1=O ZINC000409086586 556790687 /nfs/dbraw/zinc/79/06/87/556790687.db2.gz WCROXQZNMINETR-SOMGSRHFSA-N 0 0 445.371 6.019 40 30 IKEBRN N#Cc1ccccc1COc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1Cl ZINC000409085064 556790694 /nfs/dbraw/zinc/79/06/94/556790694.db2.gz NQUDXYBSAOYLHH-BKUYFWCQSA-N 0 0 435.911 5.016 40 30 IKEBRN COc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CC[C@@H](C(C)(C)C)C2 ZINC000409086613 556790750 /nfs/dbraw/zinc/79/07/50/556790750.db2.gz RGEXIKQOAWZCEV-BKBIYGFMSA-N 0 0 446.616 6.911 40 30 IKEBRN C#CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC ZINC000409086685 556790797 /nfs/dbraw/zinc/79/07/97/556790797.db2.gz AMBFPUIQDJEUBI-KWPJTZOTSA-N 0 0 440.524 5.516 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c(OC)c1C ZINC000409086918 556791086 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0 0 441.984 5.191 40 30 IKEBRN Cc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1cccc(C)c1 ZINC000409087694 556791797 /nfs/dbraw/zinc/79/17/97/556791797.db2.gz ZIGVLWUMWSEGIP-VYZASOGQSA-N 0 0 429.633 7.237 40 30 IKEBRN Cc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)c([N+](=O)[O-])c1 ZINC000409090191 556791979 /nfs/dbraw/zinc/79/19/79/556791979.db2.gz MDFXFIBQDFEMSK-NKZWWHGNSA-N 0 0 447.560 6.998 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(O)cc3)c2C(=O)Nc2ccccc2)C1 ZINC000409090737 556792451 /nfs/dbraw/zinc/79/24/51/556792451.db2.gz PUVJGCKVZIKFEV-ZQZJVFIWSA-N 0 0 432.589 6.608 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1Cl ZINC000409090820 556792570 /nfs/dbraw/zinc/79/25/70/556792570.db2.gz QLQDIJHKFLAHIC-ZHZULCJRSA-N 0 0 447.321 5.840 40 30 IKEBRN O=C(C=CNc1ccc(Oc2ccccc2Cl)cc1)c1ccc(Br)cc1 ZINC000409094621 556793448 /nfs/dbraw/zinc/79/34/48/556793448.db2.gz DXMLTTUVVUVBQK-BUHFOSPRSA-N 0 0 428.713 6.703 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(OC)c(N4CCCC4)cc3OC)cc2)cc1 ZINC000409094057 556793997 /nfs/dbraw/zinc/79/39/97/556793997.db2.gz CWRHEUWTSCTIIH-OVVQPSECSA-N 0 0 432.520 5.856 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)C1=O ZINC000409097924 556795082 /nfs/dbraw/zinc/79/50/82/556795082.db2.gz OWTSDTHAYAQUHO-HYARGMPZSA-N 0 0 435.932 6.295 40 30 IKEBRN Cc1c(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc2n1Cc1ccccc1Cl ZINC000409099309 556795416 /nfs/dbraw/zinc/79/54/16/556795416.db2.gz KZMIIAZPQQOCQN-VFLNYLIXSA-N 0 0 442.872 6.511 40 30 IKEBRN C=CCc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(OCC)c1OCc1ccc(C)cc1 ZINC000409098613 556795632 /nfs/dbraw/zinc/79/56/32/556795632.db2.gz OKLOTKSILFMVCK-JVWAILMASA-N 0 0 446.507 5.450 40 30 IKEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000409102340 556795853 /nfs/dbraw/zinc/79/58/53/556795853.db2.gz YXHAGZHYXLSYDN-BHGWPJFGSA-N 0 0 447.278 5.330 40 30 IKEBRN Cc1cc(/C=C2\Sc3ccccc3NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409103497 556796086 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C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1ccccc1Cl ZINC000409113976 556804174 /nfs/dbraw/zinc/80/41/74/556804174.db2.gz JYBFFJAUWAMBTD-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409113991 556804219 /nfs/dbraw/zinc/80/42/19/556804219.db2.gz KBGMVYVYBUGKDS-UHFFFAOYSA-N 0 0 435.995 7.221 40 30 IKEBRN C=CCc1cc(CNc2ccccc2C)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409114489 556805031 /nfs/dbraw/zinc/80/50/31/556805031.db2.gz HRQVABPEGGEXTL-UHFFFAOYSA-N 0 0 442.386 7.230 40 30 IKEBRN C=CCc1cc(CNc2ccccc2)cc(OCC)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409115485 556807136 /nfs/dbraw/zinc/80/71/36/556807136.db2.gz JJHFMWZLYGOWGI-UHFFFAOYSA-N 0 0 437.561 5.502 40 30 IKEBRN COc1ccc(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)cc1OCc1ccccc1 ZINC000003266168 556807671 /nfs/dbraw/zinc/80/76/71/556807671.db2.gz GHQNPTVHKSJUMM-WGOQTCKBSA-N 0 0 433.577 5.718 40 30 IKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409117325 556809824 /nfs/dbraw/zinc/80/98/24/556809824.db2.gz XKHSVSABMAXVRC-UHFFFAOYSA-N 0 0 434.492 5.532 40 30 IKEBRN C=CCc1cc(CNc2ccccc2)cc(OCC)c1OCc1ccc(Cl)cc1Cl ZINC000409117647 556809892 /nfs/dbraw/zinc/80/98/92/556809892.db2.gz PTADMKYZUBBROH-UHFFFAOYSA-N 0 0 442.386 7.312 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409117684 556809897 /nfs/dbraw/zinc/80/98/97/556809897.db2.gz PXSIWFNJXZNQJT-UHFFFAOYSA-N 0 0 446.547 6.530 40 30 IKEBRN CCN1c2ccccc2/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409117827 556810251 /nfs/dbraw/zinc/81/02/51/556810251.db2.gz OJVNBLGGIMZNDQ-JAIQZWGSSA-N 0 0 449.337 6.351 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409120705 556814354 /nfs/dbraw/zinc/81/43/54/556814354.db2.gz VUSRAAMTQGYMIT-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1C ZINC000409121031 556814422 /nfs/dbraw/zinc/81/44/22/556814422.db2.gz XTUONFOTUBHAKD-UHFFFAOYSA-N 0 0 425.164 6.005 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409121260 556815424 /nfs/dbraw/zinc/81/54/24/556815424.db2.gz UFKATIQBEJSSNS-UHFFFAOYSA-N 0 0 440.337 6.427 40 30 IKEBRN COC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2ccc(Cl)cc2)cc1 ZINC000409121997 556815702 /nfs/dbraw/zinc/81/57/02/556815702.db2.gz YALDFPOOSSMBPK-QRVIBDJDSA-N 0 0 426.881 5.937 40 30 IKEBRN C=C(C)CS[C@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000004907132 556825796 /nfs/dbraw/zinc/82/57/96/556825796.db2.gz RLVDOZLLKXBQFM-HJPURHCSSA-N 0 0 426.651 6.564 40 30 IKEBRN CCOCCC/N=C1/Sc2nc3cc(C)cc(C)c3cc2CN1C1CCC(C)CC1 ZINC000004926882 556825877 /nfs/dbraw/zinc/82/58/77/556825877.db2.gz NJLDBEVLZMDWBY-OCEACIFDSA-N 0 0 425.642 6.121 40 30 IKEBRN C=C(C)CS[C@@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CC[C@@H](C(C)(C)C)C3 ZINC000004907125 556825934 /nfs/dbraw/zinc/82/59/34/556825934.db2.gz RLVDOZLLKXBQFM-WAIKUNEKSA-N 0 0 426.651 6.564 40 30 IKEBRN CCOc1cc([C@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CCC3)ccc1OCCO ZINC000006089741 556829034 /nfs/dbraw/zinc/82/90/34/556829034.db2.gz HILTWPURTFZGOY-AREMUKBSSA-N 0 0 429.516 5.283 40 30 IKEBRN COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(SC)cc1 ZINC000006015354 556829214 /nfs/dbraw/zinc/82/92/14/556829214.db2.gz QKGQXBXUUCDXJV-QHCPKHFHSA-N 0 0 434.561 5.024 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408766010 556829793 /nfs/dbraw/zinc/82/97/93/556829793.db2.gz NSQQZDOHYIAILG-UYRXBGFRSA-N 0 0 428.941 5.367 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1Br ZINC000409125629 556830011 /nfs/dbraw/zinc/83/00/11/556830011.db2.gz ADVRDVDWINCDPV-UHFFFAOYSA-N 0 0 425.164 6.005 40 30 IKEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccccc2Cl)cc1 ZINC000006239693 556830629 /nfs/dbraw/zinc/83/06/29/556830629.db2.gz ASNMIOZKMQRAME-QHCPKHFHSA-N 0 0 447.918 5.170 40 30 IKEBRN CCCCCc1ccc(/C(C)=N/N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000019626193 556831969 /nfs/dbraw/zinc/83/19/69/556831969.db2.gz BOZPRLZVGHUVLP-QCKNELIISA-N 0 0 439.647 6.551 40 30 IKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409125928 556832074 /nfs/dbraw/zinc/83/20/74/556832074.db2.gz BIWUCFUOHJMOFI-UHFFFAOYSA-N 0 0 446.547 6.476 40 30 IKEBRN COC(=O)c1cccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1C ZINC000408768147 556846940 /nfs/dbraw/zinc/84/69/40/556846940.db2.gz UCNSPDITUZYTRB-ZMOGYAJESA-N 0 0 425.326 5.702 40 30 IKEBRN COC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1Cl ZINC000408776488 556847318 /nfs/dbraw/zinc/84/73/18/556847318.db2.gz PCKGQSWWUFHZEL-WYMPLXKRSA-N 0 0 445.744 6.047 40 30 IKEBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)c(OCC#N)c(Cl)c3)S2)cc1 ZINC000408772576 556847984 /nfs/dbraw/zinc/84/79/84/556847984.db2.gz DBANQSOBOCNESX-OWMRDYPQSA-N 0 0 434.348 5.058 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)S2)cc1 ZINC000408774807 556848468 /nfs/dbraw/zinc/84/84/68/556848468.db2.gz XOOWYQIMWFDLML-MOSHPQCFSA-N 0 0 446.488 5.236 40 30 IKEBRN COc1cccc(-c2csc(N3CCN(C(=S)Nc4cccc(Cl)c4)CC3)n2)c1 ZINC000008829093 556849578 /nfs/dbraw/zinc/84/95/78/556849578.db2.gz BXJYYWCZOQPVNC-UHFFFAOYSA-N 0 0 445.013 5.212 40 30 aggregator IKEBRN Cc1cc(/C=N\OCc2ccccc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408778079 556853854 /nfs/dbraw/zinc/85/38/54/556853854.db2.gz AHZCWIHNVZREEV-QRVIBDJDSA-N 0 0 444.316 5.558 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408781392 556855840 /nfs/dbraw/zinc/85/58/40/556855840.db2.gz CTXNPKAQYIOQGU-QUYTYNJFSA-N 0 0 430.957 5.075 40 30 IKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408785302 556855851 /nfs/dbraw/zinc/85/58/51/556855851.db2.gz YHAGFFORMVPZNK-FSJBWODESA-N 0 0 448.735 6.411 40 30 IKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000408795460 556856962 /nfs/dbraw/zinc/85/69/62/556856962.db2.gz LUTXLOHCLGEOGT-DEOSSOPVSA-N 0 0 438.527 5.144 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)NC1CCCCC1 ZINC000408796609 556857110 /nfs/dbraw/zinc/85/71/10/556857110.db2.gz ATYDQALECDKDBW-CFRMEGHHSA-N 0 0 433.321 5.167 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)NCc1ccccc1 ZINC000408799941 556857824 /nfs/dbraw/zinc/85/78/24/556857824.db2.gz JOVXBDWQXQACGO-MXAYSNPKSA-N 0 0 441.300 5.034 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Br)cc3F)cc2)cc1 ZINC000408800057 556857934 /nfs/dbraw/zinc/85/79/34/556857934.db2.gz JYKJNXXTCQTEDS-MXAYSNPKSA-N 0 0 441.300 5.665 40 30 IKEBRN CCOc1ccc(Cl)cc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2 ZINC000408807427 556859140 /nfs/dbraw/zinc/85/91/40/556859140.db2.gz CIOXJXMWHLDAEN-AREMUKBSSA-N 0 0 431.963 7.201 40 30 IKEBRN CCN(CC)c1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)o1 ZINC000408811018 556862384 /nfs/dbraw/zinc/86/23/84/556862384.db2.gz LQMUOXUBSLLBJP-KFLOGIKRSA-N 0 0 445.588 5.799 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)Nc1cccc(Cl)c1 ZINC000408815679 556863185 /nfs/dbraw/zinc/86/31/85/556863185.db2.gz XVIJRVWFTGEVAL-ROTLSHHCSA-N 0 0 433.722 6.415 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)c1C ZINC000408815531 556863263 /nfs/dbraw/zinc/86/32/63/556863263.db2.gz JRTGCHSZYKDKGZ-MYYYXRDXSA-N 0 0 437.568 6.198 40 30 IKEBRN C[C@@H](NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 ZINC000408816336 556863561 /nfs/dbraw/zinc/86/35/61/556863561.db2.gz YHSFYSSKRDOSPR-JAYSCUBMSA-N 0 0 427.331 6.000 40 30 IKEBRN C[C@H](NC(=O)COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)c1ccccc1 ZINC000408819078 556864817 /nfs/dbraw/zinc/86/48/17/556864817.db2.gz YBSXWIMOHKIKRP-NXZPZOCRSA-N 0 0 426.438 5.712 40 30 IKEBRN C[C@@H](NC(=O)COc1ccc(/C=N\c2cccc(Br)c2)cc1)c1ccccc1 ZINC000408819197 556864826 /nfs/dbraw/zinc/86/48/26/556864826.db2.gz WZLBQHSNYVEWRH-WZJLVRHISA-N 0 0 437.337 5.456 40 30 IKEBRN N#Cc1ccccc1Cn1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c2ccccc21 ZINC000408814205 556865324 /nfs/dbraw/zinc/86/53/24/556865324.db2.gz RZAURRMSDPEWIS-OYKKKHCWSA-N 0 0 434.524 5.453 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)Nc1ccccc1Cl ZINC000408815196 556865548 /nfs/dbraw/zinc/86/55/48/556865548.db2.gz PRCIQSUZRFETBD-ROTLSHHCSA-N 0 0 433.722 6.415 40 30 IKEBRN CCn1c2ccccc2c2cc(/C=C3\SC(=Nc4cc(C)ccc4OC)NC3=O)ccc21 ZINC000408847321 556869114 /nfs/dbraw/zinc/86/91/14/556869114.db2.gz TWWBVXFOVVWPGA-IWIPYMOSSA-N 0 0 441.556 6.023 40 30 IKEBRN Cc1cc(C)nc(N=NCc2cc(Br)c(Sc3ccc(Cl)cc3)o2)n1 ZINC000408848344 556869480 /nfs/dbraw/zinc/86/94/80/556869480.db2.gz UCZZBAPEXGPJAC-UKWGHVSLSA-N 0 0 437.750 5.700 40 30 IKEBRN COc1cccc2c(/C=C3/SC(=Nc4cccc(C)c4)NC3=O)c(-c3ccccc3)[nH]c21 ZINC000408847675 556869596 /nfs/dbraw/zinc/86/95/96/556869596.db2.gz UDIWMJVNADTJAV-PXLXIMEGSA-N 0 0 439.540 6.044 40 30 IKEBRN CCOc1ccccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408852146 556869765 /nfs/dbraw/zinc/86/97/65/556869765.db2.gz CNNHAMBSUVAUHG-UUYOSTAYSA-N 0 0 436.758 6.996 40 30 IKEBRN COc1cc(C)c(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1C(C)C ZINC000408851707 556869916 /nfs/dbraw/zinc/86/99/16/556869916.db2.gz FHQCFYGRRSUFGU-BLEOTABNSA-N 0 0 442.584 6.936 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(OCC)c1O ZINC000408852762 556870149 /nfs/dbraw/zinc/87/01/49/556870149.db2.gz IBCQALOCQQGFEV-BOPFTXTBSA-N 0 0 449.359 5.718 40 30 IKEBRN CC/N=C1\S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1CC ZINC000408852810 556870155 /nfs/dbraw/zinc/87/01/55/556870155.db2.gz IMLMBBXOLHGSEK-NGIYOEEDSA-N 0 0 435.376 5.885 40 30 IKEBRN Cc1c(Br)c(/C=N\C2CCCCC2)c(C)n1-c1ccc(Br)cc1 ZINC000408857321 556871116 /nfs/dbraw/zinc/87/11/16/556871116.db2.gz UHMQYKZNEZLPSL-UUYOSTAYSA-N 0 0 438.207 6.371 40 30 IKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2c(C)n(-c3ccccc3)c(C)c2Br)c1 ZINC000408858035 556871163 /nfs/dbraw/zinc/87/11/63/556871163.db2.gz RJSBOTMMQRMANC-WYMPLXKRSA-N 0 0 445.744 6.047 40 30 IKEBRN Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408857275 556871210 /nfs/dbraw/zinc/87/12/10/556871210.db2.gz NLYAPLIFVFBOQT-XGQPYFOESA-N 0 0 429.589 6.659 40 30 IKEBRN O=C1/C(=C/c2cccc3ccccc23)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408859781 556872152 /nfs/dbraw/zinc/87/21/52/556872152.db2.gz YXRKDPQBMPDHMD-NMRWETQTSA-N 0 0 430.548 6.916 40 30 IKEBRN CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408856225 556872269 /nfs/dbraw/zinc/87/22/69/556872269.db2.gz BLQZIHGQWUIYFT-VPSQUZRUSA-N 0 0 434.605 6.658 40 30 IKEBRN CCOc1cc(C=NNc2ccccn2)c(Br)cc1OCc1ccc(F)cc1 ZINC000408856251 556872273 /nfs/dbraw/zinc/87/22/73/556872273.db2.gz JNESUBBQWOPIIB-MXAYSNPKSA-N 0 0 444.304 5.407 40 30 IKEBRN Cc1c(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1C ZINC000408863399 556872634 /nfs/dbraw/zinc/87/26/34/556872634.db2.gz RTGAXBLSSKVTED-KAGQULTBSA-N 0 0 443.616 6.669 40 30 IKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 ZINC000408864601 556873046 /nfs/dbraw/zinc/87/30/46/556873046.db2.gz XHPVTLQLVTWJSR-CZCFBLPSSA-N 0 0 426.969 6.228 40 30 IKEBRN CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(CC(=O)NC3CCCCC3)c21 ZINC000409139161 556873279 /nfs/dbraw/zinc/87/32/79/556873279.db2.gz APTZBQHDMSMKOO-UHFFFAOYSA-N 0 0 440.543 5.115 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccc(Cl)cc2)SC(=Cc2cc(C)n(C3CC3)c2C)C1=O ZINC000409139429 556873375 /nfs/dbraw/zinc/87/33/75/556873375.db2.gz NLXUBQIZQXDQRK-UNOMPAQXSA-N 0 0 442.968 5.637 40 30 IKEBRN C#CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3Cl)c3c2cccc3CC)C1=O ZINC000409142310 556873385 /nfs/dbraw/zinc/87/33/85/556873385.db2.gz YADFWUJIGCQAMR-BKUYFWCQSA-N 0 0 434.948 5.575 40 30 IKEBRN O=[N+]([O-])c1ccc(Sc2ccc(/N=C/c3ccc(N4CCOCC4)c(F)c3)cc2)cc1 ZINC000409141244 556873523 /nfs/dbraw/zinc/87/35/23/556873523.db2.gz URHPHJFNZXQYPU-PCLIKHOPSA-N 0 0 437.496 5.472 40 30 IKEBRN COc1c(Cl)cc(Cl)cc1/C=C1\SC(=NC(=O)c2ccc(Cl)cc2)NC1=O ZINC000409140749 556873581 /nfs/dbraw/zinc/87/35/81/556873581.db2.gz SEQVSIBWMWZYTN-AUWJEWJLSA-N 0 0 441.723 5.056 40 30 IKEBRN Cc1ccc(N2C(=O)S/C(=C\c3cn(Cc4ccc(C#N)cc4)c4ccccc34)C2=O)cc1 ZINC000409143662 556873864 /nfs/dbraw/zinc/87/38/64/556873864.db2.gz DFCZJTKLKGUKMG-QFEZKATASA-N 0 0 449.535 6.111 40 30 IKEBRN N#Cc1ccc(Cn2cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c3ccccc32)cc1 ZINC000409142785 556873940 /nfs/dbraw/zinc/87/39/40/556873940.db2.gz BHOBEXOYSNDBCO-OYKKKHCWSA-N 0 0 435.508 5.802 40 30 IKEBRN CCC1N=NC(=S)N1N=Cc1c(C)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408868653 556874187 /nfs/dbraw/zinc/87/41/87/556874187.db2.gz NXQXOODQYVTWLH-BHGWPJFGSA-N 0 0 444.391 5.630 40 30 IKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C1=O)OCO2 ZINC000408870163 556874658 /nfs/dbraw/zinc/87/46/58/556874658.db2.gz SBEOMOYNNLSJGH-BXUQSFJZSA-N 0 0 434.561 5.906 40 30 IKEBRN CC(C)CN1C(=O)/C(=C/c2cn(Cc3ccc(C#N)cc3)c3ccccc23)SC1=S ZINC000409148648 556875496 /nfs/dbraw/zinc/87/54/96/556875496.db2.gz ZENRXMKQLVTSAD-JJFYIABZSA-N 0 0 431.586 5.418 40 30 IKEBRN CCCn1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000408883522 556877407 /nfs/dbraw/zinc/87/74/07/556877407.db2.gz TWYZHKABRDQCKP-UHFFFAOYSA-N 0 0 444.619 6.367 40 30 IKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c1O ZINC000408885338 556877888 /nfs/dbraw/zinc/87/78/88/556877888.db2.gz ZNLBPJNCUCEDSV-WBUAKJRLSA-N 0 0 426.513 5.477 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N\c1ccccc1 ZINC000408881185 556878286 /nfs/dbraw/zinc/87/82/86/556878286.db2.gz KEHGQGIJJVWENF-KHLYINQASA-N 0 0 431.561 5.772 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(Cl)ccc2OC)NC1=O ZINC000408882809 556878543 /nfs/dbraw/zinc/87/85/43/556878543.db2.gz ODNKOFAIYLILPP-BKUYFWCQSA-N 0 0 438.936 5.792 40 30 IKEBRN CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O ZINC000409154112 556879205 /nfs/dbraw/zinc/87/92/05/556879205.db2.gz MSENIKDCBHBFIC-IWIPYMOSSA-N 0 0 442.540 6.127 40 30 IKEBRN Cc1ccc(/N=C2/S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)C(=O)N2C)cc1C ZINC000409156760 556879832 /nfs/dbraw/zinc/87/98/32/556879832.db2.gz GYQGOIDNXLHBEY-ZOSJBBHMSA-N 0 0 447.516 6.014 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)cc1 ZINC000408887924 556879934 /nfs/dbraw/zinc/87/99/34/556879934.db2.gz UVUQMLKYQZGMNW-HMAPJEAMSA-N 0 0 434.492 5.305 40 30 IKEBRN Cc1cccc(Cn2cc(C3C4=C(CCCC4=O)OC4=C3C(=O)CCC4)c3ccccc32)c1 ZINC000408896347 556881257 /nfs/dbraw/zinc/88/12/57/556881257.db2.gz KOIBGEZNSMPEJX-UHFFFAOYSA-N 0 0 437.539 6.126 40 30 IKEBRN C=CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OCC ZINC000408899982 556881966 /nfs/dbraw/zinc/88/19/66/556881966.db2.gz WRNSPZRJGLUCJQ-UHFFFAOYSA-N 0 0 441.955 5.347 40 30 IKEBRN COc1ccc(C2C3=C(CCCC3=O)N(Cc3ccccc3)C3=C2C(=O)CCC3)cc1OC ZINC000408900455 556882374 /nfs/dbraw/zinc/88/23/74/556882374.db2.gz YMUFCIGVOBOHHN-UHFFFAOYSA-N 0 0 443.543 5.317 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408901605 556882843 /nfs/dbraw/zinc/88/28/43/556882843.db2.gz GTQPTJSUQWUKAZ-QGOAFFKASA-N 0 0 429.950 5.157 40 30 IKEBRN CC(C)Oc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000408898623 556883237 /nfs/dbraw/zinc/88/32/37/556883237.db2.gz QKSSQYUTRFPSNU-UHFFFAOYSA-N 0 0 441.999 6.100 40 30 IKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1c(Cl)cccc1Cl ZINC000408898098 556883285 /nfs/dbraw/zinc/88/32/85/556883285.db2.gz UNMDPBUCFZYIMO-YSURURNPSA-N 0 0 447.278 5.330 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000408905774 556884065 /nfs/dbraw/zinc/88/40/65/556884065.db2.gz DQZAVVVHDZFJPW-OQNHBUHUSA-N 0 0 430.529 5.595 40 30 IKEBRN Cc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000408905717 556884142 /nfs/dbraw/zinc/88/41/42/556884142.db2.gz CVQQRTZBHYSFBR-OBUXZSPNSA-N 0 0 443.528 5.750 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCC(C)C)cc2)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000408905673 556884155 /nfs/dbraw/zinc/88/41/55/556884155.db2.gz CFQYSVPLQHRRHP-MDIFQPDJSA-N 0 0 438.549 5.132 40 30 IKEBRN N#CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(CCc2ccccc2)C1=O ZINC000408905597 556884227 /nfs/dbraw/zinc/88/42/27/556884227.db2.gz BKDOZSKSSUFLQO-BGTKTZGMSA-N 0 0 439.540 5.436 40 30 IKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc3ccccc23)S/C1=N\c1ccccc1 ZINC000408906434 556884457 /nfs/dbraw/zinc/88/44/57/556884457.db2.gz BKZOOGXCULGDJE-NYDMIJARSA-N 0 0 434.564 7.205 40 30 IKEBRN CC(C)N1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)S/C1=N\c1ccccc1 ZINC000408906661 556884678 /nfs/dbraw/zinc/88/46/78/556884678.db2.gz CXPGEHXROPZZHS-DOGKOTLKSA-N 0 0 446.547 6.417 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C(=O)N2C)cc1 ZINC000408906716 556884717 /nfs/dbraw/zinc/88/47/17/556884717.db2.gz JUPORNIZOFFQEN-KLUIENCOSA-N 0 0 436.621 6.529 40 30 IKEBRN C#CCOc1c(CC=C)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408902628 556885262 /nfs/dbraw/zinc/88/52/62/556885262.db2.gz OZOHUBRPGDDLOL-LTGZKZEYSA-N 0 0 435.570 5.232 40 30 IKEBRN COc1ccc(Cl)cc1/N=C1/S/C(=C/c2cn(C(C)C)c3ccccc23)C(=O)N1C ZINC000409157977 556885524 /nfs/dbraw/zinc/88/55/24/556885524.db2.gz WLTZALXIEGWHCC-JXUGISTBSA-N 0 0 439.968 6.118 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c(C)c1 ZINC000408912350 556886337 /nfs/dbraw/zinc/88/63/37/556886337.db2.gz PXKALZFLAMASIN-YJMTZZNISA-N 0 0 428.557 6.369 40 30 IKEBRN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c1 ZINC000408913199 556886393 /nfs/dbraw/zinc/88/63/93/556886393.db2.gz RYBLHTAXMLIBAP-MGFZLMGHSA-N 0 0 444.556 6.069 40 30 IKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)S/C1=N\c1ccccc1 ZINC000408912755 556886564 /nfs/dbraw/zinc/88/65/64/556886564.db2.gz RGZFGPPHPWOSNJ-ULWVPNJNSA-N 0 0 429.501 5.960 40 30 IKEBRN COc1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1Cl ZINC000408912519 556886567 /nfs/dbraw/zinc/88/65/67/556886567.db2.gz HZSUOEFLPMCERH-SSDVNMTOSA-N 0 0 436.758 6.914 40 30 IKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408912556 556886590 /nfs/dbraw/zinc/88/65/90/556886590.db2.gz NURJMMYDLKRBIS-YDYOOVDUSA-N 0 0 434.536 6.797 40 30 IKEBRN COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(Br)c(Sc2ccc(C)cc2)o1 ZINC000408908807 556887010 /nfs/dbraw/zinc/88/70/10/556887010.db2.gz DGTIUAPCTQJVJR-NHDPSOOVSA-N 0 0 447.310 6.169 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408908993 556887105 /nfs/dbraw/zinc/88/71/05/556887105.db2.gz BIVWJKQYXIDPOD-XFKFKZEQSA-N 0 0 430.957 5.767 40 30 IKEBRN CCCN1C(=O)/C(=C\c2c3ccccc3cc3ccccc32)S/C1=N\c1ccc(C)cc1 ZINC000408909403 556887292 /nfs/dbraw/zinc/88/72/92/556887292.db2.gz CTHJWEVAINJBGK-GEZLPURSSA-N 0 0 436.580 7.315 40 30 IKEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408909430 556887301 /nfs/dbraw/zinc/88/73/01/556887301.db2.gz HBXFBJWPZSIDPL-MSXFZWOLSA-N 0 0 446.290 5.935 40 30 IKEBRN COC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\c4ccc(C)cc4)N(C)C3=O)o2)cc1 ZINC000408909328 556887304 /nfs/dbraw/zinc/88/73/04/556887304.db2.gz CNAAEYSGNGZGKV-MDIFQPDJSA-N 0 0 432.501 5.275 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)S/C1=N\c1ccccc1 ZINC000408909143 556887311 /nfs/dbraw/zinc/88/73/11/556887311.db2.gz GNXPGUAOGALKIB-CUNGHOPLSA-N 0 0 446.326 5.371 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1C ZINC000408909390 556887335 /nfs/dbraw/zinc/88/73/35/556887335.db2.gz CRRFCTHHZSIYRJ-YCJCGMCGSA-N 0 0 428.557 6.116 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000408909811 556887475 /nfs/dbraw/zinc/88/74/75/556887475.db2.gz FCOYNKNLSHMPRO-NVZLDUMVSA-N 0 0 431.473 5.412 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000408909706 556887529 /nfs/dbraw/zinc/88/75/29/556887529.db2.gz IESZANXCAFUXPT-MSXFZWOLSA-N 0 0 446.341 5.760 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)cc(OC)c1OC ZINC000408910247 556887724 /nfs/dbraw/zinc/88/77/24/556887724.db2.gz GMPSEJIWNXLFNM-PGBYLALNSA-N 0 0 426.538 5.033 40 30 IKEBRN Cc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C1=O)OCO2 ZINC000408910166 556887736 /nfs/dbraw/zinc/88/77/36/556887736.db2.gz WOYRQNBUHVLWFV-RPHBMQCLSA-N 0 0 442.540 6.089 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N2C(C)C)cc1 ZINC000408910718 556887752 /nfs/dbraw/zinc/88/77/52/556887752.db2.gz HOFKZNCGPPPENE-DDOPLPCHSA-N 0 0 436.964 6.921 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N2C)cc1 ZINC000408910252 556887793 /nfs/dbraw/zinc/88/77/93/556887793.db2.gz JDJCEVDCVLIFGO-PIINERKHSA-N 0 0 437.568 6.232 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)c1OC ZINC000408910673 556887835 /nfs/dbraw/zinc/88/78/35/556887835.db2.gz XQDMCGKZBILJEV-OSAFKRHQSA-N 0 0 444.556 6.069 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(OC)c(OC)cc2Cl)S/C1=N\c1c(C)cccc1C ZINC000408910802 556887951 /nfs/dbraw/zinc/88/79/51/556887951.db2.gz LCLJBHWQLWNYIG-MSBDOUPJSA-N 0 0 430.957 5.598 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000408911015 556887963 /nfs/dbraw/zinc/88/79/63/556887963.db2.gz IOKVUJQNIQEJAW-BUWHHMLQSA-N 0 0 440.612 7.097 40 30 IKEBRN CC[C@H](C)N1C(=O)/C(=C\c2c(OC)ccc3ccccc32)S/C1=N\c1ccc(C)cc1 ZINC000408911028 556888015 /nfs/dbraw/zinc/88/80/15/556888015.db2.gz IPDFQKXWMRXYDS-HKPGFAEHSA-N 0 0 430.573 6.559 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 ZINC000408911604 556888240 /nfs/dbraw/zinc/88/82/40/556888240.db2.gz ODTDZIRUJIPQOZ-ROTLSHHCSA-N 0 0 439.302 6.351 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000408911433 556888263 /nfs/dbraw/zinc/88/82/63/556888263.db2.gz JMMMTKFWCHHATD-ACWMPWAISA-N 0 0 432.976 6.495 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O ZINC000408911561 556888268 /nfs/dbraw/zinc/88/82/68/556888268.db2.gz KCCJDMYITLACQY-YCJCGMCGSA-N 0 0 430.573 6.559 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2ccc(OCCC)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408911919 556888464 /nfs/dbraw/zinc/88/84/64/556888464.db2.gz KZFIKOWLXOKTSM-OBUXZSPNSA-N 0 0 438.593 6.197 40 30 IKEBRN Cc1cc(/C=N/c2ccc3c(c2)OCO3)c(C)n1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408911718 556888507 /nfs/dbraw/zinc/88/85/07/556888507.db2.gz CQCWCKHKSVVZOM-WKULSOCRSA-N 0 0 442.490 6.292 40 30 IKEBRN C=CCn1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)c2ccccc21 ZINC000408911954 556888523 /nfs/dbraw/zinc/88/85/23/556888523.db2.gz LDTWGMGZSBEVQR-MNVVCBJRSA-N 0 0 429.589 6.538 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N/c3ccccc3)N(Cc3ccc(OC)cc3)C2=O)cc1 ZINC000408917594 556888981 /nfs/dbraw/zinc/88/89/81/556888981.db2.gz YBZQKMZTGHFMLK-IVCURSBOSA-N 0 0 430.529 5.508 40 30 IKEBRN CCOc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OCc1ccc2ccccc2c1 ZINC000408913201 556889083 /nfs/dbraw/zinc/88/90/83/556889083.db2.gz UCKKIVLSWFLQTF-UHFFFAOYSA-N 0 0 434.491 6.280 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408913791 556889443 /nfs/dbraw/zinc/88/94/43/556889443.db2.gz RMZNFYYSYRWIMX-UINIZAEWSA-N 0 0 428.557 6.198 40 30 IKEBRN CCCN1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccc(C)cc1 ZINC000408914005 556889464 /nfs/dbraw/zinc/88/94/64/556889464.db2.gz RZOUUQGWTGIZKN-FTIPTLOASA-N 0 0 431.355 5.477 40 30 IKEBRN CC(C)(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408914172 556889548 /nfs/dbraw/zinc/88/95/48/556889548.db2.gz VUVDRHHUHKYYRO-DCPLYQDGSA-N 0 0 426.585 6.788 40 30 IKEBRN O=C1/C(=C\c2cccc([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408914406 556889624 /nfs/dbraw/zinc/88/96/24/556889624.db2.gz WPUYKFBRJCSLNW-AIQBXGKYSA-N 0 0 429.501 5.442 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cc(Cl)c1O ZINC000408914038 556889652 /nfs/dbraw/zinc/88/96/52/556889652.db2.gz SDVHYXKEBZLRIV-SOUBFYRASA-N 0 0 444.984 6.155 40 30 IKEBRN CCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)cccc1OC ZINC000408915363 556889988 /nfs/dbraw/zinc/88/99/88/556889988.db2.gz XTMNNSVOXYVGRQ-GBDKMTHCSA-N 0 0 438.593 6.195 40 30 IKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)c1 ZINC000408915333 556889998 /nfs/dbraw/zinc/88/99/98/556889998.db2.gz XOBFUPHSZUYWNA-KWPJTZOTSA-N 0 0 434.605 6.584 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2cc(C(C)C)c(OC)cc2C)S/C1=N\c1ccc(C)cc1 ZINC000408915352 556890031 /nfs/dbraw/zinc/89/00/31/556890031.db2.gz XSSGGCNOULTRON-YCJCGMCGSA-N 0 0 436.621 6.840 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408915250 556890067 /nfs/dbraw/zinc/89/00/67/556890067.db2.gz XMCSONXXSAERDD-LPCFMYKTSA-N 0 0 440.565 5.425 40 30 IKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)cc1OC ZINC000408915256 556890114 /nfs/dbraw/zinc/89/01/14/556890114.db2.gz YUXBYRJZGCMJQX-HNEFAFEWSA-N 0 0 438.593 6.115 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)N2C)cc1 ZINC000408915627 556890300 /nfs/dbraw/zinc/89/03/00/556890300.db2.gz ZBBVRJLUPPIUPX-GRUKXCDCSA-N 0 0 433.489 5.705 40 30 IKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408915406 556890314 /nfs/dbraw/zinc/89/03/14/556890314.db2.gz YBDQSXHXBUCQHA-SAFFEFKRSA-N 0 0 425.510 5.314 40 30 IKEBRN CC(C)(C)[C@]1(O)C=C(C(F)(F)C(F)(F)C(F)(F)F)NN1C(=O)c1cccc(Cl)c1 ZINC000408920507 556890677 /nfs/dbraw/zinc/89/06/77/556890677.db2.gz JLGYCEBZDHTALE-CQSZACIVSA-N 0 0 448.766 5.110 40 30 IKEBRN CCCN1C2=C(C(=O)CCC2)C(c2ccc(OC(C)C)c(OCC)c2)C2=C1CCCC2=O ZINC000408919839 556890737 /nfs/dbraw/zinc/89/07/37/556890737.db2.gz DEMVMEKGJJOURN-UHFFFAOYSA-N 0 0 437.580 5.696 40 30 IKEBRN CCn1cc(/C=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000408919932 556890764 /nfs/dbraw/zinc/89/07/64/556890764.db2.gz FMFGCSAXDVETGW-LTUYXDACSA-N 0 0 429.589 6.598 40 30 IKEBRN O=C(NCc1ccco1)c1c(/N=C\c2cccc(Cl)c2Cl)sc2c1CCCC2 ZINC000408925387 556891912 /nfs/dbraw/zinc/89/19/12/556891912.db2.gz JWXCDXKYVUTHIU-GATIEOLUSA-N 0 0 433.360 6.207 40 30 IKEBRN O=C1/C(=C/c2cc3c(cc2Cl)OCO3)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000408919619 556891938 /nfs/dbraw/zinc/89/19/38/556891938.db2.gz ZEKYLFKLKPVKNB-GDSGPLBFSA-N 0 0 438.892 5.466 40 30 IKEBRN Cc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000408924744 556892626 /nfs/dbraw/zinc/89/26/26/556892626.db2.gz OCCARRVMMKGRHN-FSJBWODESA-N 0 0 436.364 5.022 40 30 IKEBRN C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1C ZINC000408929490 556893851 /nfs/dbraw/zinc/89/38/51/556893851.db2.gz KDDJABTXHJSLRQ-BLYKWHDGSA-N 0 0 441.767 5.758 40 30 IKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C(=O)N1CC ZINC000408930230 556894138 /nfs/dbraw/zinc/89/41/38/556894138.db2.gz UJJYNNHGYWRMEC-LRXZINBSSA-N 0 0 428.529 5.116 40 30 IKEBRN Clc1ccc(COc2ccccc2/C=N/c2ccc(N3CCOCC3)cc2)cc1Cl ZINC000408930687 556894362 /nfs/dbraw/zinc/89/43/62/556894362.db2.gz ARZUWNFMTPATRJ-JVWAILMASA-N 0 0 441.358 6.160 40 30 IKEBRN Cc1cc(/C=N\c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408930894 556894483 /nfs/dbraw/zinc/89/44/83/556894483.db2.gz DMHFKRMLMZZDQE-YSMPRRRNSA-N 0 0 428.363 5.988 40 30 IKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000408930711 556894574 /nfs/dbraw/zinc/89/45/74/556894574.db2.gz BAIMRQNNHXPAAF-TWKHWXDSSA-N 0 0 436.555 6.314 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408933467 556895000 /nfs/dbraw/zinc/89/50/00/556895000.db2.gz ADFRWNKVJFMONB-ZQEIKDJDSA-N 0 0 448.566 6.674 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408933466 556895065 /nfs/dbraw/zinc/89/50/65/556895065.db2.gz ADFRWNKVJFMONB-GCEYBUITSA-N 0 0 448.566 6.674 40 30 IKEBRN C#CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408934358 556895354 /nfs/dbraw/zinc/89/53/54/556895354.db2.gz AHINBUXXTHOLGT-UUQTWXEZSA-N 0 0 438.958 6.929 40 30 IKEBRN Oc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408934464 556895431 /nfs/dbraw/zinc/89/54/31/556895431.db2.gz AXZLGUIZJPHXLA-PYYTVRKUSA-N 0 0 445.360 6.732 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccc(F)cc3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000408935225 556895531 /nfs/dbraw/zinc/89/55/31/556895531.db2.gz CHPDKGPVHNNIDG-KSEXSDGBSA-N 0 0 444.806 5.321 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O ZINC000408934599 556895543 /nfs/dbraw/zinc/89/55/43/556895543.db2.gz BKOAEVMCLLJQFL-QQQVZRFUSA-N 0 0 430.935 6.631 40 30 IKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408936387 556895644 /nfs/dbraw/zinc/89/56/44/556895644.db2.gz FUDCDNAHHZABAY-RCUHJWHVSA-N 0 0 442.990 7.706 40 30 IKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1OCc1cc(C)cc(C)c1 ZINC000408936629 556895872 /nfs/dbraw/zinc/89/58/72/556895872.db2.gz HADQELUJAJYRSJ-GIJQJNRQSA-N 0 0 444.325 5.360 40 30 IKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3Cl)c2C)c(C)c1 ZINC000408932212 556895993 /nfs/dbraw/zinc/89/59/93/556895993.db2.gz BOSHCNLSRIOYQJ-LGJNPRDNSA-N 0 0 438.911 5.380 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3cccc(F)c3)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000408936716 556895999 /nfs/dbraw/zinc/89/59/99/556895999.db2.gz HHOJHIQIZJNNFV-KSEXSDGBSA-N 0 0 444.806 5.321 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408937304 556896907 /nfs/dbraw/zinc/89/69/07/556896907.db2.gz ISFLKLJBVLNBIC-JEAXXKEWSA-N 0 0 438.571 6.979 40 30 IKEBRN COc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408937339 556897018 /nfs/dbraw/zinc/89/70/18/556897018.db2.gz IVNVCLSILDDIQC-LHHJGKSTSA-N 0 0 426.683 5.551 40 30 IKEBRN COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@H]32)cc1 ZINC000408938079 556897160 /nfs/dbraw/zinc/89/71/60/556897160.db2.gz KJHHZLQJRPBKFL-QIIWEKBGSA-N 0 0 444.578 7.734 40 30 IKEBRN O=[N+]([O-])c1cccc(Cn2cc(C=NNc3ccc(C(F)(F)F)cc3)c3ccccc32)c1 ZINC000408942360 556897659 /nfs/dbraw/zinc/89/76/59/556897659.db2.gz XLXNULPSDWQJCD-WKIKZPBSSA-N 0 0 438.409 6.063 40 30 IKEBRN Brc1cc(/C=N\c2ccc3ccccc3c2)oc1I ZINC000408949983 556897742 /nfs/dbraw/zinc/89/77/42/556897742.db2.gz CWUNSBMHDPDGNV-NVMNQCDNSA-N 0 0 426.051 5.551 40 30 IKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000408953371 556898035 /nfs/dbraw/zinc/89/80/35/556898035.db2.gz OYZNQAHENMYUEJ-XOLKAKTPSA-N 0 0 437.952 5.763 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N\c2ccc(I)cc2)c1C ZINC000408959547 556899498 /nfs/dbraw/zinc/89/94/98/556899498.db2.gz AUSMSHZVPCRAPC-OYKKKHCWSA-N 0 0 442.344 6.320 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1O[C@@H](C)CC ZINC000408960671 556899501 /nfs/dbraw/zinc/89/95/01/556899501.db2.gz HSPACYTWEAJCOE-NPRIEWAGSA-N 0 0 444.984 6.116 40 30 IKEBRN CCCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccccc1 ZINC000408959528 556899518 /nfs/dbraw/zinc/89/95/18/556899518.db2.gz AKVVPWZYEUBBSE-YJMOJNCUSA-N 0 0 430.577 5.557 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCCC3)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000408959733 556899688 /nfs/dbraw/zinc/89/96/88/556899688.db2.gz DWLUFLLFVQKRGY-GNAGIPHVSA-N 0 0 439.584 6.486 40 30 IKEBRN CCOC(=O)c1ccc(N=C2S/C(=C\c3ccc(N4CCCCC4)cc3)C(=O)N2C)cc1 ZINC000408959819 556899742 /nfs/dbraw/zinc/89/97/42/556899742.db2.gz GGZOZFBPCOGXKT-IYAWTGHFSA-N 0 0 449.576 5.087 40 30 IKEBRN COc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)ccc1OCc1cccc(F)c1 ZINC000408959978 556900016 /nfs/dbraw/zinc/90/00/16/556900016.db2.gz BJVPRXPMPWXIPI-OEAKJJBVSA-N 0 0 448.519 5.613 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3cccc(F)c3)N(C)C2=O)c1C ZINC000408960396 556900262 /nfs/dbraw/zinc/90/02/62/556900262.db2.gz LJUQDYACENHSQA-LEIWJKCUSA-N 0 0 447.579 6.338 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)N(C)C2=O)c1C ZINC000408966458 556900654 /nfs/dbraw/zinc/90/06/54/556900654.db2.gz LTYSFXLKDTXXMH-GCNWNYGFSA-N 0 0 445.588 5.899 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1C[C@@H]1CCCO1 ZINC000408961339 556900952 /nfs/dbraw/zinc/90/09/52/556900952.db2.gz RRWKAHGHBRMJLQ-QAARQCQPSA-N 0 0 433.577 5.070 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 ZINC000408961766 556901051 /nfs/dbraw/zinc/90/10/51/556901051.db2.gz DVQUVFGGRMEKLG-OEAKJJBVSA-N 0 0 441.512 5.037 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cccn3-c3cccc(C(F)(F)F)c3)S2)cc1 ZINC000408962939 556901576 /nfs/dbraw/zinc/90/15/76/556901576.db2.gz WDDXRGDSIYDWMY-CPNJWEJPSA-N 0 0 427.451 5.696 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc(Br)ccc1O ZINC000408963249 556901836 /nfs/dbraw/zinc/90/18/36/556901836.db2.gz BCHSCBRLDMMIAH-NTUHNPAUSA-N 0 0 444.137 5.353 40 30 IKEBRN COc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Cl ZINC000408963288 556901862 /nfs/dbraw/zinc/90/18/62/556901862.db2.gz YUSIFMGQRZQDPE-NTUHNPAUSA-N 0 0 448.158 6.200 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc(Br)cs1 ZINC000408963914 556902064 /nfs/dbraw/zinc/90/20/64/556902064.db2.gz DPSGQZJERXXXEP-VZUCSPMQSA-N 0 0 434.167 5.709 40 30 IKEBRN C#CCn1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 ZINC000408964369 556902260 /nfs/dbraw/zinc/90/22/60/556902260.db2.gz GLKCAAWVCCUBJM-WOJGMQOQSA-N 0 0 426.328 5.473 40 30 IKEBRN COc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc(Cl)c1OC ZINC000408964517 556902342 /nfs/dbraw/zinc/90/23/42/556902342.db2.gz HMBYHKQLCJDSSZ-RIYZIHGNSA-N 0 0 443.739 5.556 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OC ZINC000408965237 556902477 /nfs/dbraw/zinc/90/24/77/556902477.db2.gz JMBDWMNWTJYJFE-ONDHQXCVSA-N 0 0 430.957 5.726 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)S2)cc1 ZINC000408965291 556902547 /nfs/dbraw/zinc/90/25/47/556902547.db2.gz JYUUPUPYUBUBGO-HZHRSRAPSA-N 0 0 430.529 5.474 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cn3)c2C)c1 ZINC000408968070 556903542 /nfs/dbraw/zinc/90/35/42/556903542.db2.gz UCUHVXQMGFITGE-PPDIBHTLSA-N 0 0 430.430 5.131 40 30 IKEBRN CCOc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 ZINC000408968962 556903912 /nfs/dbraw/zinc/90/39/12/556903912.db2.gz DRYKXFLWYKYKLN-OVVQPSECSA-N 0 0 432.589 6.809 40 30 IKEBRN CC(C)(C)c1ccc(C2=NOC(=O)/C2=C\c2ccccc2OCc2ccc(Cl)cc2)cc1 ZINC000408973836 556904923 /nfs/dbraw/zinc/90/49/23/556904923.db2.gz CBZNNMRYUATBHG-XQNSMLJCSA-N 0 0 445.946 6.561 40 30 IKEBRN O=C1NC(=N/N=C/c2cccc(Cl)c2Cl)S/C1=C/c1cccc(Cl)c1Cl ZINC000408974298 556905162 /nfs/dbraw/zinc/90/51/62/556905162.db2.gz YSOOJMPWLLOSQA-UXFMKWBHSA-N 0 0 445.158 5.894 40 30 IKEBRN COC(=O)C1=C(C)N(c2cc(C)cc(C)c2)C(=Cc2cccc(Oc3ccccc3)c2)C1=O ZINC000408976749 556906544 /nfs/dbraw/zinc/90/65/44/556906544.db2.gz RZCDJYBKVWMZEX-KOEQRZSOSA-N 0 0 439.511 5.973 40 30 IKEBRN C/N=C1/S/C(=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)C(=O)N1C ZINC000408977137 556906595 /nfs/dbraw/zinc/90/65/95/556906595.db2.gz VLZYSRATBDKDAY-OFHYRUQRSA-N 0 0 441.767 5.758 40 30 IKEBRN CCCCCCCCNC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408978201 556907023 /nfs/dbraw/zinc/90/70/23/556907023.db2.gz LEUJWCMSHMYKEE-UHFFFAOYSA-N 0 0 449.645 7.177 40 30 IKEBRN CCCCCCCCNC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408977862 556907030 /nfs/dbraw/zinc/90/70/30/556907030.db2.gz KGTBKLZGZFWMBO-UHFFFAOYSA-N 0 0 446.624 6.267 40 30 IKEBRN C=CCOc1ccc(C=C2C(=O)C(C(=O)OC)=C(C)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000408981884 556907906 /nfs/dbraw/zinc/90/79/06/556907906.db2.gz CQNLYGBWBZQXBQ-NDENLUEZSA-N 0 0 444.314 5.435 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C\c3cccc(F)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000408978867 556908480 /nfs/dbraw/zinc/90/84/80/556908480.db2.gz NYGIUUGZXXOOEP-AHHHDHMGSA-N 0 0 430.548 6.868 40 30 IKEBRN CCOc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1OCC ZINC000408978466 556908485 /nfs/dbraw/zinc/90/84/85/556908485.db2.gz MGBIVCTVTJYZOD-WPWMEQJKSA-N 0 0 434.605 7.406 40 30 IKEBRN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000408979238 556908798 /nfs/dbraw/zinc/90/87/98/556908798.db2.gz LPEJAWYBERLTBL-LFVJCYFKSA-N 0 0 443.474 5.282 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2c(OCC)ccc3ccccc32)C1=O ZINC000408995277 556912296 /nfs/dbraw/zinc/91/22/96/556912296.db2.gz BHLXIAAQRURIHX-JWGURIENSA-N 0 0 445.540 5.782 40 30 IKEBRN Ic1ccc(COc2ccc(/C=N\OCc3ccccc3)cc2)cc1 ZINC000408992814 556912631 /nfs/dbraw/zinc/91/26/31/556912631.db2.gz CFGOSKNTIUCUER-UCQKPKSFSA-N 0 0 443.284 5.421 40 30 IKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccccn3)o2)S1 ZINC000408993641 556913030 /nfs/dbraw/zinc/91/30/30/556913030.db2.gz WMUNDZSLAXUOMK-WJDWOHSUSA-N 0 0 427.938 5.679 40 30 IKEBRN COCc1cc(C)nc(N=NCc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C#N ZINC000409001258 556914366 /nfs/dbraw/zinc/91/43/66/556914366.db2.gz ORAYATYIIDOUIB-NVJOKUIPSA-N 0 0 441.457 5.280 40 30 IKEBRN CCOC(=O)C1=C(NC(=O)c2ccc(C)cc2)S/C(=C\c2cccc3ccccc23)C1=O ZINC000409005584 556915815 /nfs/dbraw/zinc/91/58/15/556915815.db2.gz GALFIMZTZZOHCD-QNGOZBTKSA-N 0 0 443.524 5.010 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1cccc(C)c1C ZINC000409006992 556916283 /nfs/dbraw/zinc/91/62/83/556916283.db2.gz LZYLSODXTXSHDF-OYKKKHCWSA-N 0 0 429.589 6.219 40 30 IKEBRN CCCCCCCOc1ccc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)cc1 ZINC000409003712 556916957 /nfs/dbraw/zinc/91/69/57/556916957.db2.gz KFTYSLXXWFHEEC-QNGOZBTKSA-N 0 0 427.928 6.042 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OC)c3ccccc23)C1=O ZINC000409003892 556917296 /nfs/dbraw/zinc/91/72/96/556917296.db2.gz VTHWSJLVRZRVJI-QNGOZBTKSA-N 0 0 431.513 5.392 40 30 IKEBRN CN1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)SC1=Nc1ccccc1 ZINC000409018488 556919841 /nfs/dbraw/zinc/91/98/41/556919841.db2.gz HNRXWLQTCKVLMA-VXMHBOQLSA-N 0 0 438.350 5.474 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(C)c(C)c3)N(C)C2=O)cc1Cl ZINC000409015649 556921193 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6.689 40 30 IKEBRN Cc1c(/C=N/CCNc2cccc3ccccc32)c2cccc(C)c2n1Cc1ccccc1 ZINC000409030074 556926997 /nfs/dbraw/zinc/92/69/97/556926997.db2.gz CCGQJVMMOYJMSQ-AJBULDERSA-N 0 0 431.583 6.991 40 30 IKEBRN Fc1ccccc1COc1ccc(Cl)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409038074 556927641 /nfs/dbraw/zinc/92/76/41/556927641.db2.gz UQDWXUTZNQQSQC-FLUNURKVSA-N 0 0 446.725 5.772 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409037985 556927685 /nfs/dbraw/zinc/92/76/85/556927685.db2.gz OGIDTBJSNHSESO-WMDMUMDLSA-N 0 0 428.735 5.633 40 30 IKEBRN COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccccc1F ZINC000409040194 556928941 /nfs/dbraw/zinc/92/89/41/556928941.db2.gz XYPJGXHSLIAEDR-WPDGFUPNSA-N 0 0 442.306 5.127 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C1=O ZINC000409046168 556930583 /nfs/dbraw/zinc/93/05/83/556930583.db2.gz JFQDQPMPLCMPBY-YBFXNURJSA-N 0 0 448.327 5.251 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409046361 556930768 /nfs/dbraw/zinc/93/07/68/556930768.db2.gz KGLFRLVMICSFNK-BHGWPJFGSA-N 0 0 435.694 6.885 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O ZINC000409046775 556931269 /nfs/dbraw/zinc/93/12/69/556931269.db2.gz LXSJQCGRRMBWHO-LFVJCYFKSA-N 0 0 442.540 5.343 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O ZINC000409049614 556932478 /nfs/dbraw/zinc/93/24/78/556932478.db2.gz XHBANNQHQTWDNQ-LICLKQGHSA-N 0 0 436.291 5.381 40 30 IKEBRN COc1ccc(C(=O)O/N=C(/Cc2ccccc2)c2cccs2)cc1Br ZINC000409051027 556932848 /nfs/dbraw/zinc/93/28/48/556932848.db2.gz GYZMIMBSKRALJR-XLNRJJMWSA-N 0 0 430.323 5.323 40 30 IKEBRN COc1ccc(C(=O)C=CNc2ccc(Br)cc2Br)cc1OC ZINC000409057340 556934582 /nfs/dbraw/zinc/93/45/82/556934582.db2.gz KPKVMUQLMAERLO-BQYQJAHWSA-N 0 0 441.119 5.037 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1Cl ZINC000409055125 556938459 /nfs/dbraw/zinc/93/84/59/556938459.db2.gz WJEVWAWFGGYHBJ-AQTBWJFISA-N 0 0 448.327 5.121 40 30 IKEBRN C=CCc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(OCC)c1OCCC ZINC000409065207 556941380 /nfs/dbraw/zinc/94/13/80/556941380.db2.gz ICMQUAKVHWMWHZ-UHFFFAOYSA-N 0 0 436.548 5.731 40 30 IKEBRN CCOC(=O)c1c(/N=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)sc2c1CCCC2 ZINC000409066488 556941892 /nfs/dbraw/zinc/94/18/92/556941892.db2.gz VSVBIMATZRUSRK-QFEZKATASA-N 0 0 437.517 5.601 40 30 IKEBRN O=[N+]([O-])c1cccc(-c2csc(N=NCc3cccc(OCc4ccccc4)c3)n2)c1 ZINC000409067242 556942185 /nfs/dbraw/zinc/94/21/85/556942185.db2.gz CCXKISVNKVAQFH-ZVHZXABRSA-N 0 0 430.489 5.743 40 30 IKEBRN COc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(c3ccccc3)C1=O)OCO2 ZINC000409067781 556942307 /nfs/dbraw/zinc/94/23/07/556942307.db2.gz REUSNFJSOFWEQS-HTQRFZLASA-N 0 0 430.485 5.233 40 30 IKEBRN CCc1ccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)cc1 ZINC000409068422 556942781 /nfs/dbraw/zinc/94/27/81/556942781.db2.gz AMQWRTQCJZSEMU-LGJNPRDNSA-N 0 0 430.430 6.030 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)C1=O ZINC000409069049 556942874 /nfs/dbraw/zinc/94/28/74/556942874.db2.gz ULPBBIUONVAIGE-XDHOZWIPSA-N 0 0 444.350 5.559 40 30 IKEBRN CCOC(=O)c1c(/N=C\c2cc(C)n(-c3ccccc3Cl)c2C)sc2c1CCCC2 ZINC000409074621 556943311 /nfs/dbraw/zinc/94/33/11/556943311.db2.gz WAOSFMUGVXQGOG-WGARJPEWSA-N 0 0 440.996 6.615 40 30 IKEBRN Clc1ccc(Sc2ccc(/C=N/c3ccc(Br)c(Cl)c3)cc2)cc1 ZINC000409075274 556943561 /nfs/dbraw/zinc/94/35/61/556943561.db2.gz QIPGQVQETVOASJ-FSJBWODESA-N 0 0 437.189 7.658 40 30 IKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1F ZINC000409076012 556943767 /nfs/dbraw/zinc/94/37/67/556943767.db2.gz WMIHPPNDBHHARS-KVSWJAHQSA-N 0 0 433.405 5.663 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O ZINC000409070360 556944507 /nfs/dbraw/zinc/94/45/07/556944507.db2.gz YSSXLAQBDCGQJZ-LDADJPATSA-N 0 0 430.323 5.250 40 30 IKEBRN O=C(COc1ccc(CN=Nc2ccc(C(F)(F)F)cn2)cc1Cl)Nc1ccccc1 ZINC000409070279 556944565 /nfs/dbraw/zinc/94/45/65/556944565.db2.gz FHHICGGIPAWTMM-LUOAPIJWSA-N 0 0 448.832 5.217 40 30 IKEBRN C=CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc1OC ZINC000409070421 556945008 /nfs/dbraw/zinc/94/50/08/556945008.db2.gz ZHGCBSDAUPKDCC-UHFFFAOYSA-N 0 0 447.575 5.422 40 30 IKEBRN N#Cc1ccccc1COc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409071135 556945280 /nfs/dbraw/zinc/94/52/80/556945280.db2.gz DWUIOHVKXKRCQM-UVHMKAGCSA-N 0 0 440.381 5.510 40 30 IKEBRN N#Cc1ccccc1COc1c(Cl)cc(CN=Nc2ncccc2[N+](=O)[O-])cc1Cl ZINC000409071740 556945675 /nfs/dbraw/zinc/94/56/75/556945675.db2.gz PSYFZALKQVXBNF-OPEKNORGSA-N 0 0 442.262 5.193 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1ccccc1Cl ZINC000409072636 556946234 /nfs/dbraw/zinc/94/62/34/556946234.db2.gz QWZZPBMRSXBDMU-XKZIYDEJSA-N 0 0 435.980 6.256 40 30 IKEBRN O=[N+]([O-])c1cccnc1N=NCc1cc(Cl)c(OCc2ccc(F)cc2)c(Cl)c1 ZINC000409072816 556946297 /nfs/dbraw/zinc/94/62/97/556946297.db2.gz LFMXPTRTIRTVBT-YSURURNPSA-N 0 0 435.242 5.461 40 30 IKEBRN Clc1ccc(Sc2ccc(/C=N\c3ccc(I)cc3)cc2)cc1 ZINC000409073127 556946507 /nfs/dbraw/zinc/94/65/07/556946507.db2.gz XKVZMEPPUXNUGC-XKZIYDEJSA-N 0 0 449.744 6.846 40 30 IKEBRN Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2ccc(Cl)c(Cl)c2)NC1=O ZINC000409074094 556946951 /nfs/dbraw/zinc/94/69/51/556946951.db2.gz RVMSVLDDSMOWQN-ODLFYWEKSA-N 0 0 448.375 5.030 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccs3)c2C(=O)NCc2ccco2)C1 ZINC000409081775 556947727 /nfs/dbraw/zinc/94/77/27/556947727.db2.gz QOXWUBJHOZISMH-MLGZCZAZSA-N 0 0 426.607 6.234 40 30 IKEBRN O=C(NCc1ccco1)c1c(/N=C/c2ccc(N3CCCC3)cc2)sc2c1CCCC2 ZINC000409082634 556947854 /nfs/dbraw/zinc/94/78/54/556947854.db2.gz SYQRWDXPMJZYLD-JVWAILMASA-N 0 0 433.577 5.501 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(I)cc3)sc2C1 ZINC000409082754 556947920 /nfs/dbraw/zinc/94/79/20/556947920.db2.gz NAKHXYUPXBWFLN-CHOFVFFHSA-N 0 0 448.373 6.126 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccccc3OCc3ccccc3)sc2C1 ZINC000409083607 556948047 /nfs/dbraw/zinc/94/80/47/556948047.db2.gz VKTDYRDDSBRTBC-OHPNAPQJSA-N 0 0 428.601 7.100 40 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443.566 5.798 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409109663 556957165 /nfs/dbraw/zinc/95/71/65/556957165.db2.gz IXDUBXMJYANRAV-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OCC)c1OCc1cccc(F)c1 ZINC000409109694 556957188 /nfs/dbraw/zinc/95/71/88/556957188.db2.gz JKOOUOBGFOESES-UHFFFAOYSA-N 0 0 439.958 7.106 40 30 IKEBRN Cc1cc(C(=O)OC(C)C)ccc1-c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)o1 ZINC000409111055 556957614 /nfs/dbraw/zinc/95/76/14/556957614.db2.gz AEKYGBKQYQZACA-MZJWZYIUSA-N 0 0 432.545 6.383 40 30 IKEBRN C#CCOc1c(Br)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409110778 556957669 /nfs/dbraw/zinc/95/76/69/556957669.db2.gz GSLNUTVAHYDVPN-UHFFFAOYSA-N 0 0 438.321 5.874 40 30 IKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCc1cccc(F)c1 ZINC000409112170 556957813 /nfs/dbraw/zinc/95/78/13/556957813.db2.gz BRXJJCCDZNIWRH-UHFFFAOYSA-N 0 0 439.958 7.106 40 30 IKEBRN CCOC(=O)c1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000409112000 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CCOc1cc(/C=N/c2ccc(OC)cc2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409208962 556998075 /nfs/dbraw/zinc/99/80/75/556998075.db2.gz BCISGNWXIRDHSG-OEAKJJBVSA-N 0 0 437.408 5.453 40 30 IKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409199295 556998509 /nfs/dbraw/zinc/99/85/09/556998509.db2.gz CCWNEVHBGKEKDB-RUMWWMSVSA-N 0 0 443.546 8.270 40 30 IKEBRN Cc1ccc(/N=C/c2c(OCC(=O)Nc3ccccc3)ccc3ccccc32)cc1Cl ZINC000409199911 556999170 /nfs/dbraw/zinc/99/91/70/556999170.db2.gz FPTOWJFEOKAMBW-LQKURTRISA-N 0 0 428.919 6.570 40 30 IKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1Br ZINC000409200148 556999556 /nfs/dbraw/zinc/99/95/56/556999556.db2.gz HAQSKPZNKOYBSX-RGVLZGJSSA-N 0 0 425.120 5.536 40 30 IKEBRN CCOc1ccc(/N=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)cc1 ZINC000409200201 556999599 /nfs/dbraw/zinc/99/95/99/556999599.db2.gz GZBITYMBGBZXQA-AJBULDERSA-N 0 0 431.535 7.721 40 30 IKEBRN CCOC(=O)c1c2c(sc1/N=C\c1ccc(-c3ccccc3C(F)(F)F)o1)CCCC2 ZINC000409200561 556999903 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/nfs/dbraw/zinc/01/49/33/557014933.db2.gz WZCHTAQKTQYEOF-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)c(Cl)c1 ZINC000409203595 557014943 /nfs/dbraw/zinc/01/49/43/557014943.db2.gz YYYVIHWBEKYIKT-STBIYBPSSA-N 0 0 448.349 8.115 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 ZINC000409203186 557015704 /nfs/dbraw/zinc/01/57/04/557015704.db2.gz VRCQLZLRQKDSMT-CVKSISIWSA-N 0 0 438.365 6.794 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409203017 557015755 /nfs/dbraw/zinc/01/57/55/557015755.db2.gz UEMWGXLNFCAKJC-ZVHZXABRSA-N 0 0 429.925 5.484 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)c(C)c1 ZINC000409202967 557015855 /nfs/dbraw/zinc/01/58/55/557015855.db2.gz UNCUQHGOEQVYEM-OEAKJJBVSA-N 0 0 444.350 5.584 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409203118 557015860 /nfs/dbraw/zinc/01/58/60/557015860.db2.gz VCXQDGLCUYIITA-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc(Cl)c1OC ZINC000409220659 557016154 /nfs/dbraw/zinc/01/61/54/557016154.db2.gz CXKZZCSRQWJUBF-UQACLUTFSA-N 0 0 434.920 5.510 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000409206826 557016469 /nfs/dbraw/zinc/01/64/69/557016469.db2.gz QHMKLIUWCHMECW-UHFFFAOYSA-N 0 0 431.157 6.332 40 30 IKEBRN Fc1cccc(Cn2ccc3cc(/C=N\c4ccc(Br)c(Cl)c4)ccc32)c1 ZINC000409222674 557017485 /nfs/dbraw/zinc/01/74/85/557017485.db2.gz CVVFACOXEVPUPP-ZMFRSBBQSA-N 0 0 441.731 6.995 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409208352 557018666 /nfs/dbraw/zinc/01/86/66/557018666.db2.gz FJTIEPIJBRZEIZ-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)o2)c([N+](=O)[O-])c1 ZINC000409207834 557018814 /nfs/dbraw/zinc/01/88/14/557018814.db2.gz AYHOCFHEHIPCTF-SRZZPIQSSA-N 0 0 445.456 5.271 40 30 IKEBRN Cc1cccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1C ZINC000409208365 557019078 /nfs/dbraw/zinc/01/90/78/557019078.db2.gz AZMUNRNJXGKGRN-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409207967 557019423 /nfs/dbraw/zinc/01/94/23/557019423.db2.gz ADJZTWQBVCRWGN-BUVRLJJBSA-N 0 0 429.925 5.565 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409207971 557019473 /nfs/dbraw/zinc/01/94/73/557019473.db2.gz DMLPHFJIOYPFBN-LGJNPRDNSA-N 0 0 443.330 6.079 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409208092 557019637 /nfs/dbraw/zinc/01/96/37/557019637.db2.gz AULDZZXPMYEPOT-MUFRIFMGSA-N 0 0 429.947 7.448 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000409208381 557019657 /nfs/dbraw/zinc/01/96/57/557019657.db2.gz FPZUKEYCUFZGQN-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1 ZINC000409208446 557019680 /nfs/dbraw/zinc/01/96/80/557019680.db2.gz BSWUDEPMYRNFMY-HYARGMPZSA-N 0 0 430.323 5.276 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1O[C@H](C)CC ZINC000409208950 557019949 /nfs/dbraw/zinc/01/99/49/557019949.db2.gz AYSBCHOBMUZNKF-BIXPMSEDSA-N 0 0 439.021 6.005 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409208471 557020064 /nfs/dbraw/zinc/02/00/64/557020064.db2.gz GFBAUFOMGTVQRL-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409209218 557020257 /nfs/dbraw/zinc/02/02/57/557020257.db2.gz HVASGFOBERAUKW-BUVRLJJBSA-N 0 0 445.924 5.266 40 30 IKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409209042 557020276 /nfs/dbraw/zinc/02/02/76/557020276.db2.gz FDGBGFBMFVVJRH-PCLIKHOPSA-N 0 0 438.321 6.565 40 30 IKEBRN O=S(=O)(Oc1cccc(/C=N\c2ccc(Oc3ccccc3)cc2)c1)c1ccccc1 ZINC000409209994 557020279 /nfs/dbraw/zinc/02/02/79/557020279.db2.gz IWAQISANLNBXEE-XHPQRKPJSA-N 0 0 429.497 5.997 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)c1C ZINC000409209489 557020341 /nfs/dbraw/zinc/02/03/41/557020341.db2.gz FVYNFKAPHDHKHA-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN CCOc1ccc(Br)cc1/C=C1/S/C(=N/c2ccc(F)cc2)N(CC)C1=O ZINC000409239008 557020439 /nfs/dbraw/zinc/02/04/39/557020439.db2.gz YIQWHQHSHWLWIJ-ISFSXHQYSA-N 0 0 449.345 5.611 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000409209555 557020598 /nfs/dbraw/zinc/02/05/98/557020598.db2.gz CKVZPGGVXNRVEP-VULFUBBASA-N 0 0 430.331 6.730 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Br ZINC000409209817 557020692 /nfs/dbraw/zinc/02/06/92/557020692.db2.gz JEGKKPFKONIKBC-UFFVCSGVSA-N 0 0 445.582 6.713 40 30 IKEBRN Cc1ccccc1/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(Cl)c1 ZINC000409209943 557020709 /nfs/dbraw/zinc/02/07/09/557020709.db2.gz HEQMCAFCYJBCNJ-RPPGKUMJSA-N 0 0 434.801 7.118 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409209859 557020758 /nfs/dbraw/zinc/02/07/58/557020758.db2.gz JMHMNSHZSSUTOB-JFLMPSFJSA-N 0 0 428.359 7.284 40 30 IKEBRN CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)cc2C)S/C1=N/c1ccc(OC)cc1 ZINC000409239878 557020874 /nfs/dbraw/zinc/02/08/74/557020874.db2.gz RHTHHMFXIDGXPN-XZKXACHFSA-N 0 0 431.561 5.727 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(F)c1 ZINC000409210790 557022852 /nfs/dbraw/zinc/02/28/52/557022852.db2.gz LHPDTHLVKZAFHY-LGJNPRDNSA-N 0 0 442.328 6.543 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1Cl ZINC000409211245 557023576 /nfs/dbraw/zinc/02/35/76/557023576.db2.gz MTHRTCUDEUQMQP-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409211207 557023617 /nfs/dbraw/zinc/02/36/17/557023617.db2.gz LENGYGMIHCYKIM-FOKLQQMPSA-N 0 0 446.246 6.661 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4cccc(Cl)c4)NC3=O)cc2)cc1 ZINC000409232147 557024059 /nfs/dbraw/zinc/02/40/59/557024059.db2.gz NGOYLHSTZZVLIE-BKUYFWCQSA-N 0 0 436.989 6.691 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3cc(Cl)ccc3C)cc2)cc1Cl ZINC000409212145 557024725 /nfs/dbraw/zinc/02/47/25/557024725.db2.gz PNFGZPMQAGRRSQ-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/c2ccccc2C)cc1 ZINC000409211459 557025244 /nfs/dbraw/zinc/02/52/44/557025244.db2.gz NIONUCQSBDLTQU-OEAKJJBVSA-N 0 0 444.350 5.584 40 30 IKEBRN COC(=O)c1cccc(-c2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)o2)c1C ZINC000409211756 557025308 /nfs/dbraw/zinc/02/53/08/557025308.db2.gz KBFKUSGPAUOFJU-PEOCZFDFSA-N 0 0 426.538 5.131 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1 ZINC000409211546 557025330 /nfs/dbraw/zinc/02/53/30/557025330.db2.gz ODFPMHBLLHSJAK-AFUMVMLFSA-N 0 0 428.301 6.317 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409211793 557025607 /nfs/dbraw/zinc/02/56/07/557025607.db2.gz KDFNNGDBILELJC-LGJNPRDNSA-N 0 0 434.750 7.375 40 30 IKEBRN Cc1ccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409211896 557025624 /nfs/dbraw/zinc/02/56/24/557025624.db2.gz ONYYPYDKGVETIK-RDRPBHBLSA-N 0 0 427.931 7.770 40 30 IKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 ZINC000409211830 557025656 /nfs/dbraw/zinc/02/56/56/557025656.db2.gz OJSIXNPIGNYZNT-ZMOGYAJESA-N 0 0 430.729 6.441 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1C(C)C ZINC000409212335 557025858 /nfs/dbraw/zinc/02/58/58/557025858.db2.gz QAJRYMHWIPIYPZ-SLHJDRLVSA-N 0 0 437.055 6.642 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)c1 ZINC000409212454 557026256 /nfs/dbraw/zinc/02/62/56/557026256.db2.gz MJSZWRQFOJLMMY-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(OCC)c1OCC ZINC000409212772 557026793 /nfs/dbraw/zinc/02/67/93/557026793.db2.gz RCIVJTGMUMYGSI-DEDYPNTBSA-N 0 0 443.952 6.107 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1C#N ZINC000409212923 557027057 /nfs/dbraw/zinc/02/70/57/557027057.db2.gz RUNQPVTXMPTOAU-SACJYJSVSA-N 0 0 449.576 5.235 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)cc1C ZINC000409212891 557027063 /nfs/dbraw/zinc/02/70/63/557027063.db2.gz RZGDWTKDYCEDBT-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OS(=O)(=O)c2ccccc2)ccc2ccccc21 ZINC000409213838 557027697 /nfs/dbraw/zinc/02/76/97/557027697.db2.gz VJCJMOFCIWDOHY-WGOQTCKBSA-N 0 0 435.932 6.320 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2cc(Cl)ccc2C)cc1 ZINC000409213476 557027777 /nfs/dbraw/zinc/02/77/77/557027777.db2.gz VYELVFLWVCYPCG-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 ZINC000409214027 557028044 /nfs/dbraw/zinc/02/80/44/557028044.db2.gz WXSPZXOKSHHTKG-JFLMPSFJSA-N 0 0 436.939 5.988 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1Cl ZINC000409215245 557028293 /nfs/dbraw/zinc/02/82/93/557028293.db2.gz VZHATCYISHZDMC-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1 ZINC000409215414 557028387 /nfs/dbraw/zinc/02/83/87/557028387.db2.gz YKVSYITUGWYQIA-ZVHZXABRSA-N 0 0 439.309 5.226 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)c(Cl)cc1OC ZINC000409247276 557028498 /nfs/dbraw/zinc/02/84/98/557028498.db2.gz LYQDBQDDNRYYMG-SRWYGHAPSA-N 0 0 446.956 5.380 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc32)cc1C ZINC000409215438 557029092 /nfs/dbraw/zinc/02/90/92/557029092.db2.gz YTMJJYBBHSINIA-LQKURTRISA-N 0 0 444.372 7.549 40 30 IKEBRN COc1ccc2ccc(OC)c(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)c2c1 ZINC000409248139 557029257 /nfs/dbraw/zinc/02/92/57/557029257.db2.gz GHFWNBGSOXEXIJ-CIAFOILYSA-N 0 0 438.936 5.710 40 30 IKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1O[C@H](C)CC ZINC000409215591 557030111 /nfs/dbraw/zinc/03/01/11/557030111.db2.gz BXWKEXQPXQGUTE-BKAKLYHYSA-N 0 0 438.637 7.097 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1Cl ZINC000409215796 557030128 /nfs/dbraw/zinc/03/01/28/557030128.db2.gz AYKZBCQXKNBMPG-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl ZINC000409215744 557030156 /nfs/dbraw/zinc/03/01/56/557030156.db2.gz DYDDOXJXBVGMEL-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1O[C@@H](C)CC ZINC000409215593 557030223 /nfs/dbraw/zinc/03/02/23/557030223.db2.gz BXWKEXQPXQGUTE-RRNMEOMKSA-N 0 0 438.637 7.097 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409250169 557030462 /nfs/dbraw/zinc/03/04/62/557030462.db2.gz PYTCIGGWDWILKR-HZHRSRAPSA-N 0 0 427.504 5.720 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409215982 557030542 /nfs/dbraw/zinc/03/05/42/557030542.db2.gz CRKMVHKACHHYSY-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN CCOc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409216881 557031307 /nfs/dbraw/zinc/03/13/07/557031307.db2.gz PJOVUZAKIXJWRD-VULFUBBASA-N 0 0 430.382 6.555 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1C(C)C ZINC000409216772 557031324 /nfs/dbraw/zinc/03/13/24/557031324.db2.gz LKXLQQIMGGRLEL-POHNCSCLSA-N 0 0 431.026 6.580 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2ccc(F)cc2)c(Cl)c1 ZINC000408529087 557031333 /nfs/dbraw/zinc/03/13/33/557031333.db2.gz GZYNSQSUHOWMOS-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 ZINC000409217448 557031528 /nfs/dbraw/zinc/03/15/28/557031528.db2.gz VDVDVCIYFTWVJF-VULFUBBASA-N 0 0 430.331 6.730 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1Cl ZINC000409217440 557031593 /nfs/dbraw/zinc/03/15/93/557031593.db2.gz UXSNQYKVQSKWDH-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409217090 557031635 /nfs/dbraw/zinc/03/16/35/557031635.db2.gz RLLXOFWVRRNNGA-ZVHZXABRSA-N 0 0 434.344 6.074 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC000409217937 557031907 /nfs/dbraw/zinc/03/19/07/557031907.db2.gz RTHLVIRKYVMGPE-FOKLQQMPSA-N 0 0 446.246 6.661 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1C ZINC000409217851 557031916 /nfs/dbraw/zinc/03/19/16/557031916.db2.gz XOKVKAYLVXQUDR-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN C#CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408530824 557032069 /nfs/dbraw/zinc/03/20/69/557032069.db2.gz NOEFENQXGVAKDJ-ZEHKLFRWSA-N 0 0 433.536 6.083 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Br)c2)cc1 ZINC000409218468 557032313 /nfs/dbraw/zinc/03/23/13/557032313.db2.gz VKKOSVKNQIEETK-OEAKJJBVSA-N 0 0 444.350 5.584 40 30 IKEBRN CCCOc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 ZINC000408533768 557032328 /nfs/dbraw/zinc/03/23/28/557032328.db2.gz SCEJQTFECRTCTL-ZEHKLFRWSA-N 0 0 442.584 6.901 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000409218337 557032441 /nfs/dbraw/zinc/03/24/41/557032441.db2.gz IDILMCSWTJCVFW-JFLMPSFJSA-N 0 0 428.359 7.284 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(Cl)c3)S2)cc1 ZINC000408535008 557032665 /nfs/dbraw/zinc/03/26/65/557032665.db2.gz XDJQBVZYEFDFLS-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1C(C)C ZINC000409218646 557032714 /nfs/dbraw/zinc/03/27/14/557032714.db2.gz WYLPPHLHVVDFHW-RRJMXWIWSA-N 0 0 428.985 6.008 40 30 IKEBRN COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 ZINC000409218617 557032744 /nfs/dbraw/zinc/03/27/44/557032744.db2.gz WGZPMSOEQIVSRC-VULFUBBASA-N 0 0 438.911 5.434 40 30 IKEBRN CCCCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 ZINC000408541173 557033242 /nfs/dbraw/zinc/03/32/42/557033242.db2.gz YEVNBHWNOVQJST-UHFFFAOYSA-N 0 0 441.999 6.342 40 30 IKEBRN CCOc1cc(/C=N\O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 ZINC000408540671 557033319 /nfs/dbraw/zinc/03/33/19/557033319.db2.gz VAHZMLBHFMJVCL-WGARJPEWSA-N 0 0 441.911 5.713 40 30 IKEBRN COc1cc(N2CCCCC2)ccc1/C=C1\SC(=Nc2cc(Cl)ccc2C)NC1=O ZINC000409243490 557033426 /nfs/dbraw/zinc/03/34/26/557033426.db2.gz WVXUDZHPPMTTIZ-MTJSOVHGSA-N 0 0 441.984 5.539 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N/c1ccc(OC)cc1 ZINC000409243878 557033777 /nfs/dbraw/zinc/03/37/77/557033777.db2.gz VTWUZZGAUBWTAP-RWBSCQHUSA-N 0 0 444.556 5.898 40 30 IKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccccc2Sc2ccccc2)S1 ZINC000409244195 557033823 /nfs/dbraw/zinc/03/38/23/557033823.db2.gz ZFVDTTPIAWLHNC-STZFKDTASA-N 0 0 436.989 6.691 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3cc(C(=O)OC)ccc3C)c3ccccc32)c1 ZINC000408543092 557034255 /nfs/dbraw/zinc/03/42/55/557034255.db2.gz OTDMPJQPDUPHKB-RWPZCVJISA-N 0 0 440.499 5.322 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccccc2I)SC1=Nc1ccccc1 ZINC000408549969 557035220 /nfs/dbraw/zinc/03/52/20/557035220.db2.gz CGOYYCDLVIJCGH-FZECDQFNSA-N 0 0 448.329 5.305 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)S2)cc1 ZINC000409251189 557036594 /nfs/dbraw/zinc/03/65/94/557036594.db2.gz TYOZRXBYYBKCAT-JCMHNJIXSA-N 0 0 432.570 6.046 40 30 IKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000408560784 557039298 /nfs/dbraw/zinc/03/92/98/557039298.db2.gz OYZUGBVFXFJGKF-UHFFFAOYSA-N 0 0 441.428 6.015 40 30 IKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc(Br)cc2)n1CC ZINC000408560976 557039721 /nfs/dbraw/zinc/03/97/21/557039721.db2.gz SGYJDXXHLAFVEG-UHFFFAOYSA-N 0 0 439.423 5.304 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000408561196 557039732 /nfs/dbraw/zinc/03/97/32/557039732.db2.gz YUVZHCOBVNDLJT-UHFFFAOYSA-N 0 0 442.588 5.556 40 30 IKEBRN C=CCn1c(CCCC)nnc1SCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000408561156 557039737 /nfs/dbraw/zinc/03/97/37/557039737.db2.gz YEHNMMCRJKNJKO-UHFFFAOYSA-N 0 0 445.589 5.109 40 30 IKEBRN COc1ccc(/C=C/C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000409278481 557044978 /nfs/dbraw/zinc/04/49/78/557044978.db2.gz FPILBOMQFZCQFQ-ODURJWAJSA-N 0 0 449.432 5.638 40 30 IKEBRN Cc1cc(C)c(NC(=O)COc2cccc(C=C3C(=O)c4ccccc4C3=O)c2)c(C)c1 ZINC000408575405 557045228 /nfs/dbraw/zinc/04/52/28/557045228.db2.gz KYXCFAJUBPASLC-UHFFFAOYSA-N 0 0 425.484 5.092 40 30 IKEBRN Cc1ccc(Cl)cc1NC(=O)COc1cccc(C=C2C(=O)c3ccccc3C2=O)c1 ZINC000408576003 557045571 /nfs/dbraw/zinc/04/55/71/557045571.db2.gz QCZAWWNKBAWXDP-UHFFFAOYSA-N 0 0 431.875 5.129 40 30 IKEBRN CCOc1c(Cl)cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1Cl ZINC000409223864 557046060 /nfs/dbraw/zinc/04/60/60/557046060.db2.gz GDHWIAMICHJWEH-NATJXCGNSA-N 0 0 439.339 6.155 40 30 IKEBRN CC[C@H](C)Oc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409279458 557046098 /nfs/dbraw/zinc/04/60/98/557046098.db2.gz HTKCEXATWFMSLV-KRWDZBQOSA-N 0 0 437.971 6.157 40 30 IKEBRN CC[C@H](C)Oc1c(Br)cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc1OC ZINC000408587913 557046127 /nfs/dbraw/zinc/04/61/27/557046127.db2.gz AOUCWMSWIWWPMY-PUFAJPFRSA-N 0 0 437.290 5.094 40 30 IKEBRN COc1cc(OC)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1Cl ZINC000408587036 557046272 /nfs/dbraw/zinc/04/62/72/557046272.db2.gz DQUTXHRYBXLWPI-MUFRIFMGSA-N 0 0 442.902 6.906 40 30 IKEBRN CCN(CC)c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1 ZINC000409281279 557047113 /nfs/dbraw/zinc/04/71/13/557047113.db2.gz CVZOAHHDFPJAFT-UHFFFAOYSA-N 0 0 441.373 5.011 40 30 IKEBRN CC(C)Oc1cccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)c1 ZINC000409281968 557047444 /nfs/dbraw/zinc/04/74/44/557047444.db2.gz FRMQQTXBWRPHAN-UHFFFAOYSA-N 0 0 442.357 5.126 40 30 IKEBRN CC(C)Oc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C(C)(C)C ZINC000409284572 557048852 /nfs/dbraw/zinc/04/88/52/557048852.db2.gz LUABIGCPGLVLLD-UHFFFAOYSA-N 0 0 442.357 5.126 40 30 IKEBRN N#CCn1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c2ccccc21 ZINC000409285072 557049139 /nfs/dbraw/zinc/04/91/39/557049139.db2.gz MSXCRMJYDKVQJK-UHFFFAOYSA-N 0 0 443.466 5.170 40 30 IKEBRN C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OCC)c1OCc1ccccc1 ZINC000408589133 557049337 /nfs/dbraw/zinc/04/93/37/557049337.db2.gz DCJKYWIPEQFGIL-RDRPBHBLSA-N 0 0 426.516 5.815 40 30 IKEBRN Cc1ccc(NC(=O)Cn2cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c3ccccc32)cc1 ZINC000408589185 557049454 /nfs/dbraw/zinc/04/94/54/557049454.db2.gz DEQITQQTINLQRF-VULFUBBASA-N 0 0 442.475 5.047 40 30 IKEBRN CC(C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1[N+](=O)[O-] ZINC000409285808 557049790 /nfs/dbraw/zinc/04/97/90/557049790.db2.gz XNLBUGAUDDSKTD-UHFFFAOYSA-N 0 0 434.496 5.022 40 30 IKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1cccn1-c1ccc2ccccc2c1 ZINC000409292716 557050015 /nfs/dbraw/zinc/05/00/15/557050015.db2.gz UVQQXJCVZVNAFI-UHFFFAOYSA-N 0 0 446.554 6.270 40 30 IKEBRN CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409292385 557050021 /nfs/dbraw/zinc/05/00/21/557050021.db2.gz DWSUXHGIJKCSNV-KRWDZBQOSA-N 0 0 448.523 5.412 40 30 IKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1c2ccccc2cc2ccccc21 ZINC000409293410 557050448 /nfs/dbraw/zinc/05/04/48/557050448.db2.gz ICMBJUWHFOOFTJ-UHFFFAOYSA-N 0 0 431.539 6.633 40 30 IKEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000409286937 557050951 /nfs/dbraw/zinc/05/09/51/557050951.db2.gz RKVRXUVBHMCRQP-UHFFFAOYSA-N 0 0 439.140 5.471 40 30 IKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=C/C(C)=C/c3ccco3)cc21 ZINC000409289501 557052038 /nfs/dbraw/zinc/05/20/38/557052038.db2.gz NDXVBRPDKIQAPZ-MTFHOORBSA-N 0 0 425.444 5.349 40 30 IKEBRN N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/OCc1cccc([N+](=O)[O-])c1 ZINC000408591781 557053750 /nfs/dbraw/zinc/05/37/50/557053750.db2.gz KMPSUYDSTJABFD-LQKURTRISA-N 0 0 437.455 5.749 40 30 IKEBRN CC[C@@H](C)n1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c2ccccc21 ZINC000409297452 557054622 /nfs/dbraw/zinc/05/46/22/557054622.db2.gz WQPYAZWSKAFYEN-LJQANCHMSA-N 0 0 426.564 6.252 40 30 IKEBRN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccn1-c1ccccc1 ZINC000409297520 557054634 /nfs/dbraw/zinc/05/46/34/557054634.db2.gz WWMXNJIRMKXAEP-UHFFFAOYSA-N 0 0 430.467 5.483 40 30 IKEBRN C#CCn1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c2ccccc21 ZINC000409300335 557055401 /nfs/dbraw/zinc/05/54/01/557055401.db2.gz YMUMYPAYXUNOLC-UHFFFAOYSA-N 0 0 442.478 5.280 40 30 IKEBRN Cc1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(C)n1-c1ccccc1 ZINC000408589633 557055411 /nfs/dbraw/zinc/05/54/11/557055411.db2.gz MGSVUVFCQKHBOG-UZWMFBFFSA-N 0 0 441.534 7.643 40 30 IKEBRN CCOc1cc(/C=C2/Sc3ccccc3C2=O)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409302783 557055867 /nfs/dbraw/zinc/05/58/67/557055867.db2.gz KKHKAGIHBATASE-BUVRLJJBSA-N 0 0 445.540 5.741 40 30 IKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cccc(Cl)c3)cc21 ZINC000409304090 557056400 /nfs/dbraw/zinc/05/64/00/557056400.db2.gz IYPMWSDAILLWBX-UHFFFAOYSA-N 0 0 429.863 5.354 40 30 IKEBRN CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=N/OCc1ccccc1C#N ZINC000408597154 557056656 /nfs/dbraw/zinc/05/66/56/557056656.db2.gz XONRWMTUFFIGNF-OGLMXYFKSA-N 0 0 428.488 5.137 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc1OC ZINC000409230944 557057127 /nfs/dbraw/zinc/05/71/27/557057127.db2.gz HCOJPRDNANZVEO-IPGOZNNXSA-N 0 0 440.565 5.505 40 30 IKEBRN Cc1c(/C=N/OCc2cccc([N+](=O)[O-])c2)c2ccccc2n1Cc1ccc(Cl)cc1 ZINC000408593853 557057886 /nfs/dbraw/zinc/05/78/86/557057886.db2.gz RPIRLDXKHFLBQH-VULFUBBASA-N 0 0 433.895 6.110 40 30 IKEBRN COc1ccccc1C=Nn1c(=O)c2cc(Br)ccc2nc1C1CCCCC1 ZINC000409311770 557057947 /nfs/dbraw/zinc/05/79/47/557057947.db2.gz HVCODINHQBQONC-UHFFFAOYSA-N 0 0 440.341 5.098 40 30 IKEBRN C=CCc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(OCC)c1O ZINC000409231329 557058123 /nfs/dbraw/zinc/05/81/23/557058123.db2.gz BXDLLAKOMUXJLB-KWZOLKRCSA-N 0 0 438.549 5.152 40 30 IKEBRN COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(Cl)cc1Cl ZINC000408594116 557058095 /nfs/dbraw/zinc/05/80/95/557058095.db2.gz SHADTHYXSYCPRC-UVHMKAGCSA-N 0 0 441.314 6.003 40 30 IKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408594635 557058115 /nfs/dbraw/zinc/05/81/15/557058115.db2.gz IXECWDPSFCBRAX-RWPZCVJISA-N 0 0 434.923 6.049 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)c1 ZINC000408594554 557058141 /nfs/dbraw/zinc/05/81/41/557058141.db2.gz UADAXCZVAMENNK-WYMPLXKRSA-N 0 0 431.275 6.031 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Br)ccc2OCc2ccccc2)c1 ZINC000408595012 557058425 /nfs/dbraw/zinc/05/84/25/557058425.db2.gz VIDUWXVXKVZUOI-YDZHTSKRSA-N 0 0 441.281 5.487 40 30 IKEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccc(N(C)C)o2)cc1C(C)C ZINC000409305076 557058461 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/nfs/dbraw/zinc/13/65/21/557136521.db2.gz DQPFHKKINIFBKD-UHFFFAOYSA-N 0 0 435.483 5.025 40 30 IKEBRN CCN(CC)c1ccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)cc1 ZINC000409355488 557136771 /nfs/dbraw/zinc/13/67/71/557136771.db2.gz DAPWKXMEYRBHPT-UZWMFBFFSA-N 0 0 447.582 7.699 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408723584 557137017 /nfs/dbraw/zinc/13/70/17/557137017.db2.gz XFKQXHACAJANAR-AFUMVMLFSA-N 0 0 433.920 7.098 40 30 IKEBRN C#CCOc1cccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)c1 ZINC000409360587 557137315 /nfs/dbraw/zinc/13/73/15/557137315.db2.gz BBVQLEYYFGRVIN-ZCTHSVRISA-N 0 0 430.507 6.865 40 30 IKEBRN COc1cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)ccc1OCc1ccc(C)cc1 ZINC000408726399 557137521 /nfs/dbraw/zinc/13/75/21/557137521.db2.gz RJRGYZMFUPJQKR-OGLMXYFKSA-N 0 0 441.531 5.131 40 30 IKEBRN C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000409360815 557137713 /nfs/dbraw/zinc/13/77/13/557137713.db2.gz NNVDRUBIMRMPLN-UHFFFAOYSA-N 0 0 438.622 5.245 40 30 IKEBRN COc1cc(/C=C2\Cc3ccccc3C2=O)cc(Br)c1OCc1ccccc1 ZINC000409368455 557138194 /nfs/dbraw/zinc/13/81/94/557138194.db2.gz WSJLWFVFGQVOMK-YBFXNURJSA-N 0 0 435.317 5.859 40 30 IKEBRN N#Cc1ccccc1COc1ccc(/C=C2\Cc3ccccc3C2=O)cc1Br ZINC000409369252 557138218 /nfs/dbraw/zinc/13/82/18/557138218.db2.gz JBZYCVJTBFBZSM-RGVLZGJSSA-N 0 0 430.301 5.722 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408725572 557138289 /nfs/dbraw/zinc/13/82/89/557138289.db2.gz KTFUJFGKVXHNNW-HXNPFYCNSA-N 0 0 428.557 6.511 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)N(CC)C2=O)cc1OC ZINC000409375389 557138485 /nfs/dbraw/zinc/13/84/85/557138485.db2.gz KCHGAOKDQNSZLU-BIIZOFCJSA-N 0 0 444.984 6.150 40 30 IKEBRN COC(=O)c1ccc(C)c(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c1 ZINC000409375553 557138536 /nfs/dbraw/zinc/13/85/36/557138536.db2.gz MKIUUSGYSBPRCD-JFLMPSFJSA-N 0 0 430.504 5.167 40 30 IKEBRN COC(=O)c1cccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)c1 ZINC000409376849 557139249 /nfs/dbraw/zinc/13/92/49/557139249.db2.gz DJIARACJBQOAAP-ZMFRSBBQSA-N 0 0 440.858 5.034 40 30 IKEBRN CCN(CC)c1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000409376759 557139327 /nfs/dbraw/zinc/13/93/27/557139327.db2.gz CUEIRWQWWBPTKP-MTDXEUNCSA-N 0 0 429.564 5.918 40 30 IKEBRN Cc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(C)n1-c1ccc(C)cc1 ZINC000409378301 557140044 /nfs/dbraw/zinc/14/00/44/557140044.db2.gz NOJLIROOUDOCAA-MUFRIFMGSA-N 0 0 435.483 7.138 40 30 IKEBRN COC(=O)c1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 ZINC000409379424 557140307 /nfs/dbraw/zinc/14/03/07/557140307.db2.gz XHIBJODEUKWYSC-LGJNPRDNSA-N 0 0 440.858 5.034 40 30 IKEBRN N#Cc1c(/N=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)oc(-c2ccco2)c1-c1ccco1 ZINC000409381525 557140332 /nfs/dbraw/zinc/14/03/32/557140332.db2.gz HOCAIGSPIMAPQE-VULFUBBASA-N 0 0 439.383 6.590 40 30 IKEBRN N#Cc1c(/N=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)oc(-c2ccco2)c1-c1ccco1 ZINC000409380121 557140595 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ZINC000409388825 557142330 /nfs/dbraw/zinc/14/23/30/557142330.db2.gz XLBBYHGQZSJEKI-OCSSWDANSA-N 0 0 448.478 7.309 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@@H]2c1ccc(Oc2ccccc2)cc1 ZINC000104686629 557142974 /nfs/dbraw/zinc/14/29/74/557142974.db2.gz LVUSMLFVFAEDMA-XNMGPUDCSA-N 0 0 447.534 6.521 40 30 IKEBRN O=c1nc(NN=Cc2c3ccccc3cc3ccccc32)n(-c2ccccc2)c2ccccc12 ZINC000408733455 557143017 /nfs/dbraw/zinc/14/30/17/557143017.db2.gz XTPSPXPEFWUXIK-NDZAJKAJSA-N 0 0 440.506 5.972 40 30 IKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000105449435 557144028 /nfs/dbraw/zinc/14/40/28/557144028.db2.gz SQGBLNMROFTBRL-UHFFFAOYSA-N 0 0 434.930 6.334 40 30 IKEBRN Cc1cccc(COc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1 ZINC000409400643 557144322 /nfs/dbraw/zinc/14/43/22/557144322.db2.gz AHZXYGHGWSYUSB-UHFFFAOYSA-N 0 0 445.522 5.833 40 30 IKEBRN CC(=O)Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409405339 557144658 /nfs/dbraw/zinc/14/46/58/557144658.db2.gz UBGJJODYHBVONJ-UHFFFAOYSA-N 0 0 433.467 5.024 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(OCc2ccccc2)cc1 ZINC000409405312 557144678 /nfs/dbraw/zinc/14/46/78/557144678.db2.gz TYDLYHZMOVIELJ-UHFFFAOYSA-N 0 0 431.495 5.525 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000409405365 557144683 /nfs/dbraw/zinc/14/46/83/557144683.db2.gz UGTZVYNTZKQLMN-UHFFFAOYSA-N 0 0 449.485 5.664 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccc(OCc2ccccc2F)c1 ZINC000409406324 557144881 /nfs/dbraw/zinc/14/48/81/557144881.db2.gz XICFWOAOIZUGHU-UHFFFAOYSA-N 0 0 449.485 5.664 40 30 IKEBRN Cc1cc(-n2cccc2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)ccc1Cl ZINC000409408277 557144902 /nfs/dbraw/zinc/14/49/02/557144902.db2.gz XGHYUKUZIDAMIY-UHFFFAOYSA-N 0 0 438.918 5.698 40 30 IKEBRN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OCc1ccccc1 ZINC000408737772 557144976 /nfs/dbraw/zinc/14/49/76/557144976.db2.gz XFJADIVNCHNWIT-VULFUBBASA-N 0 0 449.963 6.497 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1cccn1-c1ccc2ccccc2c1 ZINC000409406077 557145002 /nfs/dbraw/zinc/14/50/02/557145002.db2.gz PVZGWLXMOUBBSX-UHFFFAOYSA-N 0 0 440.506 5.890 40 30 IKEBRN CC(C)(C)Oc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1[N+](=O)[O-] ZINC000409407172 557145028 /nfs/dbraw/zinc/14/50/28/557145028.db2.gz SNXVGSQENHBQMD-UHFFFAOYSA-N 0 0 442.475 5.031 40 30 IKEBRN Brc1cc(C=NNc2ccc3ccccc3n2)ccc1OCc1ccccc1 ZINC000408737942 557145790 /nfs/dbraw/zinc/14/57/90/557145790.db2.gz KXZPUZJDDKYEFC-MFKUBSTISA-N 0 0 432.321 6.022 40 30 IKEBRN Cc1cccc(COc2ccc(/C=C3\SC(=Nc4ccc(C)c(Cl)c4)NC3=O)cc2)c1 ZINC000408739222 557147070 /nfs/dbraw/zinc/14/70/70/557147070.db2.gz UIXBCNMWIBAHFN-QRVIBDJDSA-N 0 0 448.975 6.427 40 30 IKEBRN COCc1cc(C)nc(N=NCc2ccc(OCc3cccc4ccccc43)cc2)c1C#N ZINC000006177745 557147852 /nfs/dbraw/zinc/14/78/52/557147852.db2.gz UVGXEIAPIJEBDP-MUFRIFMGSA-N 0 0 436.515 5.586 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(C)c3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740579 557149036 /nfs/dbraw/zinc/14/90/36/557149036.db2.gz LPMLSJCIXMALLF-HZHRSRAPSA-N 0 0 430.577 5.360 40 30 IKEBRN Cc1cc(C=NC2C=C[C@@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740704 557149076 /nfs/dbraw/zinc/14/90/76/557149076.db2.gz LUTAOULZXCBFKV-YIKDSHDTSA-N 0 0 449.554 5.344 40 30 IKEBRN O=C1NC(=Nc2cccc(Br)c2)S/C1=C\c1ccc(Cl)cc1Cl ZINC000408741366 557149461 /nfs/dbraw/zinc/14/94/61/557149461.db2.gz LNOVJAQCILXGLD-NSIKDUERSA-N 0 0 428.138 5.648 40 30 IKEBRN Cc1cc(C=NC2C=C[C@@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741612 557149657 /nfs/dbraw/zinc/14/96/57/557149657.db2.gz QVQREHMXYKQWFH-WZMTZDRBSA-N 0 0 434.539 5.895 40 30 IKEBRN Cc1cc(C=NC2C=C[C@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1-c1ccc(C)c(C)c1 ZINC000408741611 557149667 /nfs/dbraw/zinc/14/96/67/557149667.db2.gz QVQREHMXYKQWFH-SGSJQRNASA-N 0 0 434.539 5.895 40 30 IKEBRN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3)c2-c2ccccc2)cc1 ZINC000408741839 557149692 /nfs/dbraw/zinc/14/96/92/557149692.db2.gz 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Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1C1CCCCC1 ZINC000408743077 557150890 /nfs/dbraw/zinc/15/08/90/557150890.db2.gz ZCYHFWCYLPNITC-YZSQISJMSA-N 0 0 433.577 7.420 40 30 IKEBRN COc1ccc(-c2oc(/N=C/c3ccc(Cl)cc3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000106297799 557151118 /nfs/dbraw/zinc/15/11/18/557151118.db2.gz IMTARDPHIYIZHA-MUFRIFMGSA-N 0 0 442.902 6.906 40 30 IKEBRN O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000408749214 557156774 /nfs/dbraw/zinc/15/67/74/557156774.db2.gz LOFZGLLQUSWHLP-VCHYOVAHSA-N 0 0 449.746 6.798 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc(OC)c1OC ZINC000106682636 557156858 /nfs/dbraw/zinc/15/68/58/557156858.db2.gz BHVDEPKGIZDYGX-UNOMPAQXSA-N 0 0 429.925 5.322 40 30 IKEBRN O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1ccc(Br)cc1 ZINC000408748309 557157705 /nfs/dbraw/zinc/15/77/05/557157705.db2.gz BQPMNWUPZDHJBF-VGOFMYFVSA-N 0 0 428.138 5.648 40 30 IKEBRN O=C1NC(=Nc2cc(Cl)ccc2Cl)S/C1=C/c1cc(Br)ccc1O ZINC000408750300 557158689 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ZINC000408754133 557165577 /nfs/dbraw/zinc/16/55/77/557165577.db2.gz PMRDLVJWMUYQBN-HAHDFKILSA-N 0 0 432.520 5.859 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)ccc1O ZINC000408757206 557169377 /nfs/dbraw/zinc/16/93/77/557169377.db2.gz VZTWPTLAANUGIL-WQRHYEAKSA-N 0 0 443.366 5.392 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC ZINC000408758303 557172285 /nfs/dbraw/zinc/17/22/85/557172285.db2.gz IOHCPXQHSPZVHN-JWGURIENSA-N 0 0 436.577 5.667 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)cc1 ZINC000408763486 557179978 /nfs/dbraw/zinc/17/99/78/557179978.db2.gz PEZADDCQDUUQJY-XDHOZWIPSA-N 0 0 443.355 6.707 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(Sc2ccccc2)o1 ZINC000408764227 557182052 /nfs/dbraw/zinc/18/20/52/557182052.db2.gz WLTQTNQDPQHKLR-WJDWOHSUSA-N 0 0 447.368 6.629 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=N/c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)c2C)cc1 ZINC000408766350 557188639 /nfs/dbraw/zinc/18/86/39/557188639.db2.gz 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/nfs/dbraw/zinc/20/89/41/557208941.db2.gz UUTPKGZMCZBIEM-VEILYXNESA-N 0 0 430.573 5.872 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408791176 557210680 /nfs/dbraw/zinc/21/06/80/557210680.db2.gz VTOXWTKSTPYKHX-KQWNVCNZSA-N 0 0 429.589 6.283 40 30 IKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(C2CCCCC2)c1C ZINC000408793292 557211073 /nfs/dbraw/zinc/21/10/73/557211073.db2.gz DNNPJVWPULZBBC-HSZRJFAPSA-N 0 0 430.548 5.352 40 30 IKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000408793472 557212603 /nfs/dbraw/zinc/21/26/03/557212603.db2.gz FAMFCCYAXNJHEG-XMMPIXPASA-N 0 0 438.527 5.144 40 30 IKEBRN CCOc1c(Cl)cc([C@H]2C3=C(NC(C)=C2C(=O)OC)c2ccccc2C3=O)cc1Cl ZINC000408797380 557212801 /nfs/dbraw/zinc/21/28/01/557212801.db2.gz RMUUYPUEANYXMS-GOSISDBHSA-N 0 0 444.314 5.134 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(OCc3ccccc3)cc2)cc1)NC1CCCCC1 ZINC000408801893 557213078 /nfs/dbraw/zinc/21/30/78/557213078.db2.gz WNJJNUJGYCLWGQ-CEUNXORHSA-N 0 0 442.559 5.844 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 ZINC000408801186 557217657 /nfs/dbraw/zinc/21/76/57/557217657.db2.gz SAIVTSOVTMYJFZ-QDTIIGTASA-N 0 0 446.856 6.435 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(Cl)c3)S2)cc1C ZINC000408806410 557218391 /nfs/dbraw/zinc/21/83/91/557218391.db2.gz ASWYUKLVRZIKCN-UCQKPKSFSA-N 0 0 448.975 6.427 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000038309812 557219351 /nfs/dbraw/zinc/21/93/51/557219351.db2.gz VEEBKUQFPONGGR-GJQQSYTOSA-N 0 0 444.700 7.171 40 30 IKEBRN CCOC(=O)c1c(C#N)c(N)c(C#N)c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 ZINC000044138348 557219698 /nfs/dbraw/zinc/21/96/98/557219698.db2.gz LEJRPNBGQLKCTH-UHFFFAOYSA-N 0 0 436.298 5.830 40 30 IKEBRN O=C(COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1)NCCc1ccccc1 ZINC000408808028 557219691 /nfs/dbraw/zinc/21/96/91/557219691.db2.gz MFJUQKJEGRXMLC-DICXZTSXSA-N 0 0 427.331 5.482 40 30 IKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1 ZINC000408809320 557220988 /nfs/dbraw/zinc/22/09/88/557220988.db2.gz RJQWYYXODNBCAY-MXAYSNPKSA-N 0 0 429.303 5.770 40 30 IKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)SC1Nc1ccccc1 ZINC000408809185 557220993 /nfs/dbraw/zinc/22/09/93/557220993.db2.gz QXCVSJPRFOQMCM-ZUZVBVLKSA-N 0 0 432.569 5.643 40 30 IKEBRN Cc1cc(C)cc(NC(=O)c2c3c(sc2/N=C/c2ccccc2OCC#N)CCCC3)c1 ZINC000408812375 557224593 /nfs/dbraw/zinc/22/45/93/557224593.db2.gz MUTHLDKNNWZUKS-LQKURTRISA-N 0 0 443.572 6.149 40 30 IKEBRN CC(C)c1ccc([C@@H]2NC(=Nc3nc4ccccc4o3)Nc3c4ccccc4[nH]c(=O)c32)cc1 ZINC000022528210 557224758 /nfs/dbraw/zinc/22/47/58/557224758.db2.gz CJUFBYXCGWKYRU-QHCPKHFHSA-N 0 0 449.514 5.585 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(F)cc2)NC1=O ZINC000408818675 557231198 /nfs/dbraw/zinc/23/11/98/557231198.db2.gz OJWSNSLRVOYWMV-BOPFTXTBSA-N 0 0 433.302 5.045 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)cc1OCC ZINC000408819384 557232558 /nfs/dbraw/zinc/23/25/58/557232558.db2.gz QMZMYEXEASKFMJ-WQRHYEAKSA-N 0 0 447.343 5.296 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)cc1C ZINC000408820851 557234453 /nfs/dbraw/zinc/23/44/53/557234453.db2.gz ZQDHKIZHMPOARN-MYYYXRDXSA-N 0 0 437.568 6.198 40 30 IKEBRN CCCCCCCCNC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2CCCCCCCC)cc1 ZINC000100023033 557237619 /nfs/dbraw/zinc/23/76/19/557237619.db2.gz NWIFRDQEAOJOGK-ZCYQVOJMSA-N 0 0 428.661 7.102 40 30 IKEBRN CCCCCCCCNC(=S)Oc1ccc(C(=O)Nc2ccc(OCC)cc2)cc1 ZINC000100045462 557238827 /nfs/dbraw/zinc/23/88/27/557238827.db2.gz RETKVKHLJBLMBZ-UHFFFAOYSA-N 0 0 428.598 5.951 40 30 IKEBRN O=C([C@H]1CCCCC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100115648 557240978 /nfs/dbraw/zinc/24/09/78/557240978.db2.gz ZSCSEYRTJFTOQR-YFKPBYRVSA-N 0 0 444.187 5.054 40 30 IKEBRN CC1(C)CC(=O)C(C(c2ccccc2C(F)(F)F)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100134573 557241834 /nfs/dbraw/zinc/24/18/34/557241834.db2.gz 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557311209 /nfs/dbraw/zinc/31/12/09/557311209.db2.gz ICLAEGNEUPSKPX-ZEQRLZLVSA-N 0 0 448.559 5.036 40 30 IKEBRN CCOC(=O)c1oc2ccc(/C=N\CCc3ccc(OC)c(OC)c3)c(Cl)c2c1C ZINC000103265620 557314214 /nfs/dbraw/zinc/31/42/14/557314214.db2.gz DEDXIKBAIDKRTE-MXAYSNPKSA-N 0 0 429.900 5.250 40 30 IKEBRN CCCCSC(=O)[C@]1(C)CC[C@@H]2[C@H](CC=C3C[C@@H](OC(C)=O)CC[C@@]32C)[C@@H]1CC#N ZINC000104046799 557319504 /nfs/dbraw/zinc/31/95/04/557319504.db2.gz JFFSTLYNUSZJBJ-VTQNKDBZSA-N 0 0 431.642 6.061 40 30 IKEBRN CCCCCCCCCN=Nc1nnc(N=NCCCCCCCCC)c2ccccc21 ZINC000104079193 557320147 /nfs/dbraw/zinc/32/01/47/557320147.db2.gz RNLYBJDCOBJTGK-KKTFQPMKSA-N 0 0 438.664 7.926 40 30 IKEBRN CCCCCCCCCCCCCCCCOc1ccc(C2=NC[C@@H](C)S2)c(C)c1 ZINC000104153817 557321237 /nfs/dbraw/zinc/32/12/37/557321237.db2.gz YRSQGRWPEDPNOO-XMMPIXPASA-N 0 0 431.730 8.737 40 30 IKEBRN O=C(Oc1c(Cl)cc(Cl)cc1/C=N\c1cccc(C(F)(F)F)c1)c1ccccc1 ZINC000104160934 557321559 /nfs/dbraw/zinc/32/15/59/557321559.db2.gz LSCOIZUYQCZVAE-PPDIBHTLSA-N 0 0 438.232 6.982 40 30 IKEBRN Cc1ccc(O)c(/C(=N/CC/N=C(\c2ccccc2)c2cc(C)ccc2O)c2ccccc2)c1 ZINC000104234039 557323089 /nfs/dbraw/zinc/32/30/89/557323089.db2.gz AUKIXWNAUSDAAQ-JWTBXLROSA-N 0 0 448.566 6.090 40 30 IKEBRN C(=N\c1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c32)cc1)\c1ccccc1 ZINC000104307208 557324635 /nfs/dbraw/zinc/32/46/35/557324635.db2.gz NFKDYJICOHIJDQ-NVMPUMLXSA-N 0 0 434.542 8.473 40 30 IKEBRN O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000104315946 557324912 /nfs/dbraw/zinc/32/49/12/557324912.db2.gz JLROVADVPPVTIW-MGAWAESESA-N 0 0 445.862 5.619 40 30 IKEBRN CN(C)c1ccc(/C=N\c2ccc3c(c2)/C(=C\c2ccc(N(C)C)cc2)c2ccccc2-3)cc1 ZINC000104335095 557325133 /nfs/dbraw/zinc/32/51/33/557325133.db2.gz MRDRCYQHHJZNJG-ZLFJGZHLSA-N 0 0 443.594 7.139 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(O)cc1O ZINC000104348853 557325487 /nfs/dbraw/zinc/32/54/87/557325487.db2.gz VMKYOVPRCOYZRR-LHLOQNFPSA-N 0 0 435.678 6.377 40 30 IKEBRN 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NZHLLODOSFMAAN-UHFFFAOYSA-N 0 0 449.363 5.081 40 30 IKEBRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000014091496 557419125 /nfs/dbraw/zinc/41/91/25/557419125.db2.gz PAWXILAQNMQNJD-UHFFFAOYSA-N 0 0 433.364 5.093 40 30 IKEBRN C=CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl ZINC000014091495 557419198 /nfs/dbraw/zinc/41/91/98/557419198.db2.gz VZEJRSQHIYFFAP-UHFFFAOYSA-N 0 0 433.364 5.093 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(Cl)cc1 ZINC000014069628 557419972 /nfs/dbraw/zinc/41/99/72/557419972.db2.gz LOORGJAMCFBQNJ-UHFFFAOYSA-N 0 0 449.363 5.177 40 30 IKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000014117801 557420458 /nfs/dbraw/zinc/42/04/58/557420458.db2.gz MVTWBDFUGOKVOL-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccccc1Cl ZINC000014117813 557420762 /nfs/dbraw/zinc/42/07/62/557420762.db2.gz JOMMBXYYLFDJNF-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000014126701 557421176 /nfs/dbraw/zinc/42/11/76/557421176.db2.gz WEZNGPYQBNFHMC-UHFFFAOYSA-N 0 0 434.392 6.259 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000014126795 557421241 /nfs/dbraw/zinc/42/12/41/557421241.db2.gz SLGOTQFFHQMDAB-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000014126803 557421255 /nfs/dbraw/zinc/42/12/55/557421255.db2.gz MUUGHHJOAWGHKW-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 ZINC000014133333 557422155 /nfs/dbraw/zinc/42/21/55/557422155.db2.gz HBAZNUWGSOZFGF-UHFFFAOYSA-N 0 0 444.560 5.236 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 ZINC000014133300 557422159 /nfs/dbraw/zinc/42/21/59/557422159.db2.gz CTPWQPXSXGRHFB-UHFFFAOYSA-N 0 0 436.581 5.206 40 30 IKEBRN C=CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)NC1CCCCC1 ZINC000014134260 557422413 /nfs/dbraw/zinc/42/24/13/557422413.db2.gz LYUASFSRDGWMAP-UHFFFAOYSA-N 0 0 442.629 5.016 40 30 IKEBRN C#CCn1c(C)c(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 ZINC000014134485 557422466 /nfs/dbraw/zinc/42/24/66/557422466.db2.gz PXDWIWDKKZJESY-UZWMFBFFSA-N 0 0 439.518 7.132 40 30 IKEBRN N#Cc1ccc(Cl)cc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 ZINC000014152522 557423309 /nfs/dbraw/zinc/42/33/09/557423309.db2.gz NUHFMIGIZHYMER-UHFFFAOYSA-N 0 0 438.727 5.034 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Br)cc3)sc2C1 ZINC000014273276 557432770 /nfs/dbraw/zinc/43/27/70/557432770.db2.gz OLXMMWPRXUHHNJ-ZDUSSCGKSA-N 0 0 447.398 5.551 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(OCc4ccccc4)c3)sc2C1 ZINC000014273286 557432801 /nfs/dbraw/zinc/43/28/01/557432801.db2.gz WNLNJDZWUSKGFJ-HXUWFJFHSA-N 0 0 444.600 6.602 40 30 IKEBRN Clc1ccc(Cn2cc(C=NNc3nc4ccccc4[nH]3)c3ccccc32)c(Cl)c1 ZINC000014407429 557443893 /nfs/dbraw/zinc/44/38/93/557443893.db2.gz OZHFOHBDTUTWHG-RPPGKUMJSA-N 0 0 434.330 6.319 40 30 IKEBRN Cc1cc(C=NN=c2[nH]c3ccccc3s2)c(C)n1-c1ccc(C)c(Br)c1 ZINC000014408415 557444006 /nfs/dbraw/zinc/44/40/06/557444006.db2.gz SGICJVNBUFWSRI-FSJBWODESA-N 0 0 439.382 6.221 40 30 IKEBRN O=C(Oc1ccc([C@@H]2Sc3ccccc3NC3=C2C(=O)CCC3)cc1)c1ccccc1 ZINC000014671929 557449325 /nfs/dbraw/zinc/44/93/25/557449325.db2.gz MVHNPWLMMBPGMX-VWLOTQADSA-N 0 0 427.525 6.172 40 30 IKEBRN c1c2ccccc2oc1-c1nn(-c2ccccc2)cc1CN=Nc1nncc2ccccc21 ZINC000015347225 557461266 /nfs/dbraw/zinc/46/12/66/557461266.db2.gz KYQMZYKPVKMVFR-LQKURTRISA-N 0 0 430.471 5.675 40 30 IKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccc(O)cc3)c2-c2ccccc2)cc1 ZINC000016311376 557472259 /nfs/dbraw/zinc/47/22/59/557472259.db2.gz MLLGTQQREOCXHJ-NJZRLIGZSA-N 0 0 428.535 7.576 40 30 IKEBRN CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc2C(C)=CC1(C)C ZINC000223498908 557479510 /nfs/dbraw/zinc/47/95/10/557479510.db2.gz LVRLIFIPWLMQQV-KHHYFDFNSA-N 0 0 431.605 6.251 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)S2)cc1 ZINC000223510258 557480657 /nfs/dbraw/zinc/48/06/57/557480657.db2.gz JWZSFKAXBTWHTK-OYKKKHCWSA-N 0 0 445.632 6.605 40 30 IKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)S2)c1 ZINC000223510338 557480658 /nfs/dbraw/zinc/48/06/58/557480658.db2.gz KQLYPNWDGGFVQB-OYKKKHCWSA-N 0 0 445.632 6.605 40 30 IKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C=C3C)S1 ZINC000223511015 557480901 /nfs/dbraw/zinc/48/09/01/557480901.db2.gz KXBVLJNMVNLPMF-OYKKKHCWSA-N 0 0 445.632 6.605 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)S/C1=N\c1ccccc1 ZINC000223534453 557482879 /nfs/dbraw/zinc/48/28/79/557482879.db2.gz BISLFMSSQZMLDY-ACQFYHRASA-N 0 0 447.648 6.813 40 30 IKEBRN CCOc1ccc([C@H]2C3C(=O)C[C@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000017099621 557483248 /nfs/dbraw/zinc/48/32/48/557483248.db2.gz ZMJPANBRTQPAAO-HRFSGMKKSA-N 0 0 435.527 5.851 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)cc1 ZINC000223552775 557485199 /nfs/dbraw/zinc/48/51/99/557485199.db2.gz KOYKSSYXDDQXPG-PVFDWLMNSA-N 0 0 433.621 6.387 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)cc1C ZINC000223553062 557485201 /nfs/dbraw/zinc/48/52/01/557485201.db2.gz HOKRWHZDFMPPDB-QCYAWUEASA-N 0 0 447.648 6.696 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)S/C1=N/c1ccccc1 ZINC000223554195 557485214 /nfs/dbraw/zinc/48/52/14/557485214.db2.gz BMRRTKZNMLZOPG-BYZOWGHSSA-N 0 0 447.648 6.811 40 30 IKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C(C)C)S1 ZINC000223553681 557485216 /nfs/dbraw/zinc/48/52/16/557485216.db2.gz GREIVKAMMQOPIW-PVFDWLMNSA-N 0 0 433.621 6.387 40 30 IKEBRN CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223579350 557488223 /nfs/dbraw/zinc/48/82/23/557488223.db2.gz NHNNEHIDLKDWHV-FKOVGQMLSA-N 0 0 433.621 6.341 40 30 IKEBRN CCN1c2cc(C)c(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223579409 557488452 /nfs/dbraw/zinc/48/84/52/557488452.db2.gz NHNNEHIDLKDWHV-LNDJBHNWSA-N 0 0 433.621 6.341 40 30 IKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2cc3c(cc2C)N(C(C)C)C(C)(C)C[C@@H]3C)S1 ZINC000223602757 557490763 /nfs/dbraw/zinc/49/07/63/557490763.db2.gz HZOHQVWGWGMIOZ-QCYAWUEASA-N 0 0 447.648 6.696 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]23C)cc1 ZINC000118914520 557493509 /nfs/dbraw/zinc/49/35/09/557493509.db2.gz KNJVWAVLNHNHKV-CQXMGPFDSA-N 0 0 430.654 6.502 40 30 IKEBRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118934397 557494000 /nfs/dbraw/zinc/49/40/00/557494000.db2.gz GCRIWPLHBVKSPY-GFSMJNMISA-N 0 0 444.612 5.265 40 30 IKEBRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118934395 557494035 /nfs/dbraw/zinc/49/40/35/557494035.db2.gz GCRIWPLHBVKSPY-HPLCAJFJSA-N 0 0 444.612 5.265 40 30 IKEBRN CC(=O)O[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@H]1[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]12 ZINC000118928072 557495176 /nfs/dbraw/zinc/49/51/76/557495176.db2.gz HXUGNDVVHVLCAY-XIWTYGPDSA-N 0 0 442.684 7.139 40 30 IKEBRN COc1cc(Br)c(Br)c(/C=N/C23CC4CC(CC(C4)C2)C3)c1O ZINC000019637628 557503185 /nfs/dbraw/zinc/50/31/85/557503185.db2.gz ACQWVLSGWDCDIQ-ZVBGSRNCSA-N 0 0 443.179 5.314 40 30 IKEBRN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000019641165 557503911 /nfs/dbraw/zinc/50/39/11/557503911.db2.gz GYCLRVDCSWEASW-VKGTZQKMSA-N 0 0 444.538 6.242 40 30 IKEBRN Cc1ccc([C@@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000019641154 557503966 /nfs/dbraw/zinc/50/39/66/557503966.db2.gz GYCLRVDCSWEASW-HMILPKGGSA-N 0 0 444.538 6.242 40 30 IKEBRN CCOc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1O ZINC000019648243 557505609 /nfs/dbraw/zinc/50/56/09/557505609.db2.gz KJCUIODJRMGZRU-SSVJFZKPSA-N 0 0 448.950 7.517 40 30 IKEBRN CCN1c2ccc(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2[C@@H](C)CC1(C)C ZINC000198095946 557529635 /nfs/dbraw/zinc/52/96/35/557529635.db2.gz SCCXCGAKZJHCDS-ZUSSYJGPSA-N 0 0 428.576 7.350 40 30 IKEBRN CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)cc2[C@@H](C)CC1(C)C ZINC000198101810 557529638 /nfs/dbraw/zinc/52/96/38/557529638.db2.gz ZGGDOMBPCSUJOS-DDBXXPGKSA-N 0 0 442.603 7.659 40 30 IKEBRN CCN1c2ccc(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)cc2C(C)=CC1(C)C ZINC000198160730 557529640 /nfs/dbraw/zinc/52/96/40/557529640.db2.gz RHQGYWJJWOKEPY-VUTHCHCSSA-N 0 0 426.560 7.260 40 30 IKEBRN C=C1/C(=C\C=C2\CCC[C@@]3(C)[C@H]([C@H](C)/C=C/[C@@H](O)C4CC4)CC[C@@]23C)C[C@H](O)C[C@@H]1O ZINC000100016429 557535954 /nfs/dbraw/zinc/53/59/54/557535954.db2.gz DJXFYPCZCCPBLC-WAHSHXKDSA-N 0 0 426.641 5.481 40 30 in-vitro IKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915127 557544218 /nfs/dbraw/zinc/54/42/18/557544218.db2.gz AXNNSHMUJUSTKY-CGKHQHHXSA-N 0 0 434.620 5.744 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2csc(N=NCc3cccc(OCc4ccccc4)c3)n2)cc1 ZINC000033377267 557807358 /nfs/dbraw/zinc/80/73/58/557807358.db2.gz LAJCVTZFNQXPLE-ZVHZXABRSA-N 0 0 430.489 5.743 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1 ZINC000033348684 557807484 /nfs/dbraw/zinc/80/74/84/557807484.db2.gz IPHUNEJHSDOCJV-HYARGMPZSA-N 0 0 434.492 5.305 40 30 IKEBRN CCOc1cc(/C=N/NC(=S)Nc2ccccc2)ccc1OCc1cccc(Cl)c1 ZINC000033854773 557809973 /nfs/dbraw/zinc/80/99/73/557809973.db2.gz LBDDYNVINWKTCW-MFKUBSTISA-N 0 0 439.968 5.638 40 30 IKEBRN CCOc1cc(C=NNc2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000033957697 557810498 /nfs/dbraw/zinc/81/04/98/557810498.db2.gz KMEHHLIPHFJABG-BUVRLJJBSA-N 0 0 425.326 5.873 40 30 IKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccc(Cl)cc1 ZINC000033958431 557810501 /nfs/dbraw/zinc/81/05/01/557810501.db2.gz MTNMUFPQPPTRAG-VULFUBBASA-N 0 0 449.963 6.497 40 30 IKEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3CC[C@]23O[C@H]13 ZINC000034255994 557811181 /nfs/dbraw/zinc/81/11/81/557811181.db2.gz HXKDHGZOPCTTAY-QUSHEWTOSA-N 0 0 444.700 7.171 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\S/C(=N\c3cccc(C)c3C)NC2=O)c1C ZINC000059104453 557814103 /nfs/dbraw/zinc/81/41/03/557814103.db2.gz SURKVJOKZGNQOS-IWIPYMOSSA-N 0 0 443.616 6.473 40 30 IKEBRN CCN(CC)c1ccc(/N=C/c2cc(Br)c(I)o2)cc1 ZINC000059104338 557814132 /nfs/dbraw/zinc/81/41/32/557814132.db2.gz HPTHZSATPICSKW-VCHYOVAHSA-N 0 0 447.114 5.244 40 30 IKEBRN C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000059104951 557814589 /nfs/dbraw/zinc/81/45/89/557814589.db2.gz CHHWCTWLCTWFBB-SXVBQMOPSA-N 0 0 440.540 5.064 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000058884140 557814713 /nfs/dbraw/zinc/81/47/13/557814713.db2.gz MKQQAMCGDSQPIA-OTZYPNAKSA-N 0 0 448.910 5.015 40 30 IKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)o2)cc1 ZINC000059105747 557814753 /nfs/dbraw/zinc/81/47/53/557814753.db2.gz IDJFCKIIJCZREU-DEDYPNTBSA-N 0 0 436.464 5.154 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCc1ccc(Cl)cc1Cl ZINC000059176652 557817567 /nfs/dbraw/zinc/81/75/67/557817567.db2.gz SSUHHKDCVRQQLZ-UHFFFAOYSA-N 0 0 434.392 6.259 40 30 IKEBRN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccc(C)cc1 ZINC000059193575 557817948 /nfs/dbraw/zinc/81/79/48/557817948.db2.gz JIGVLFIRVMIFNB-UHFFFAOYSA-N 0 0 444.527 5.711 40 30 IKEBRN CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000059193561 557817960 /nfs/dbraw/zinc/81/79/60/557817960.db2.gz HTIMWHRFNYZGOW-UHFFFAOYSA-N 0 0 444.527 5.792 40 30 IKEBRN O=C1CCCC2=C1C(c1cccc(OCc3cccc4ccccc43)c1)C1=C(CCCC1=O)N2 ZINC000059193528 557817972 /nfs/dbraw/zinc/81/79/72/557817972.db2.gz CKAUEGLRTDHYOH-UHFFFAOYSA-N 0 0 449.550 6.120 40 30 IKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccccc1 ZINC000059193619 557817994 /nfs/dbraw/zinc/81/79/94/557817994.db2.gz LYUFHEIWIYUAGH-WGOQTCKBSA-N 0 0 443.528 5.874 40 30 IKEBRN O=C1CCCC2=C1C(c1cccc(OCc3ccccc3Cl)c1)C1=C(CCCC1=O)N2 ZINC000059193515 557818047 /nfs/dbraw/zinc/81/80/47/557818047.db2.gz ZYOHMGDZKSAUPO-UHFFFAOYSA-N 0 0 433.935 5.620 40 30 IKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1Cl ZINC000059194417 557818190 /nfs/dbraw/zinc/81/81/90/557818190.db2.gz QSODRYIAYSHPQY-ZMOGYAJESA-N 0 0 437.908 5.624 40 30 IKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccc(C)cc1 ZINC000059194465 557818216 /nfs/dbraw/zinc/81/82/16/557818216.db2.gz MEBBRXWTMYKWCG-MFKUBSTISA-N 0 0 431.517 5.669 40 30 IKEBRN CCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(OCC)c1 ZINC000059193760 557818241 /nfs/dbraw/zinc/81/82/41/557818241.db2.gz AWYASSIIGZMZJR-FOKLQQMPSA-N 0 0 436.364 6.360 40 30 IKEBRN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC ZINC000059193770 557818286 /nfs/dbraw/zinc/81/82/86/557818286.db2.gz YUWJTFLZWBOIGK-LSFURLLWSA-N 0 0 438.336 5.589 40 30 IKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(-c2ccccc2)cc1 ZINC000059193691 557818307 /nfs/dbraw/zinc/81/83/07/557818307.db2.gz ZNEMZDLPODAHNH-JFLMPSFJSA-N 0 0 438.383 7.620 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 ZINC000059224179 557818732 /nfs/dbraw/zinc/81/87/32/557818732.db2.gz YLECDYJSNSTXAE-XKZIYDEJSA-N 0 0 434.948 6.119 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2c3ccccc3cc3ccccc32)S1 ZINC000059224280 557818750 /nfs/dbraw/zinc/81/87/50/557818750.db2.gz SSXQREPWLZFKFT-UCQKPKSFSA-N 0 0 428.944 6.846 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1 ZINC000059224156 557818779 /nfs/dbraw/zinc/81/87/79/557818779.db2.gz PRXVVCYHGJFOFQ-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN COc1cc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)ccc1OCc1ccccc1 ZINC000059223937 557818789 /nfs/dbraw/zinc/81/87/89/557818789.db2.gz ZBQZNXFQXPPZIZ-IWIPYMOSSA-N 0 0 444.556 5.783 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C1\NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000059224135 557818792 /nfs/dbraw/zinc/81/87/92/557818792.db2.gz ZNFIVAIHECEXHK-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN Cc1cc(Br)ccc1/N=C1\NC(=O)/C(=C/c2cccn2-c2ccccc2)S1 ZINC000059247884 557818965 /nfs/dbraw/zinc/81/89/65/557818965.db2.gz NUCPJAZKIVQUHB-UYRXBGFRSA-N 0 0 438.350 5.440 40 30 IKEBRN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cccn1-c1ccc(Cl)cc1 ZINC000059249546 557819207 /nfs/dbraw/zinc/81/92/07/557819207.db2.gz BREZPACFMFOLNN-BOPFTXTBSA-N 0 0 448.762 6.329 40 30 IKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc(OCC)c1OCC ZINC000059106116 557820264 /nfs/dbraw/zinc/82/02/64/557820264.db2.gz UUVGVJXRMZIXQL-XSFVSMFZSA-N 0 0 426.513 5.243 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2cccc(Br)c2)o1 ZINC000059106015 557820273 /nfs/dbraw/zinc/82/02/73/557820273.db2.gz FRCNSNJZDQTLPF-WOJGMQOQSA-N 0 0 443.297 5.740 40 30 IKEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N\c3ccccc3C)NC2=O)o1 ZINC000059459393 557821126 /nfs/dbraw/zinc/82/11/26/557821126.db2.gz SYTOYJVWRJGTDP-NDENLUEZSA-N 0 0 435.461 5.063 40 30 IKEBRN COc1ccc2c(c1)CCc1sc(/N=C/c3ccc(OCc4ccccc4)cc3)nc1-2 ZINC000059459293 557821140 /nfs/dbraw/zinc/82/11/40/557821140.db2.gz KKUXSIJFCGUAHB-JVWAILMASA-N 0 0 426.541 6.247 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3cccc([N+](=O)[O-])c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463699 557821534 /nfs/dbraw/zinc/82/15/34/557821534.db2.gz FJMOPPMLJWQWDQ-ZVHZXABRSA-N 0 0 444.472 6.353 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463685 557821570 /nfs/dbraw/zinc/82/15/70/557821570.db2.gz ZAYULZGSTFDPHX-AFUMVMLFSA-N 0 0 433.920 7.098 40 30 IKEBRN Cc1ccc(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463770 557821747 /nfs/dbraw/zinc/82/17/47/557821747.db2.gz SXXVMDAPJFFNAS-CVKSISIWSA-N 0 0 427.529 7.061 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3cccc(Br)c3)sc2-c2ccccc2)cc1 ZINC000059463810 557821758 /nfs/dbraw/zinc/82/17/58/557821758.db2.gz XJFLKQLMVSZOOC-MFKUBSTISA-N 0 0 433.374 7.299 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463774 557821765 /nfs/dbraw/zinc/82/17/65/557821765.db2.gz XGZYZURNRDQCOI-VULFUBBASA-N 0 0 447.947 7.406 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3ccc(F)cc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463780 557821784 /nfs/dbraw/zinc/82/17/84/557821784.db2.gz MJQPNYUKNDCBSS-VULFUBBASA-N 0 0 431.492 6.892 40 30 IKEBRN COc1cccc(/C=N/c2nc(-c3ccc(C)cc3C)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000059463788 557821798 /nfs/dbraw/zinc/82/17/98/557821798.db2.gz QOAYAOIWFPHPFI-CVKSISIWSA-N 0 0 443.528 6.761 40 30 IKEBRN Brc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1 ZINC000059471643 557821939 /nfs/dbraw/zinc/82/19/39/557821939.db2.gz JURCQCLMERDIMU-IJOHZJHPSA-N 0 0 429.361 7.026 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3OC)sc2-c2ccc(OC)cc2)cc1 ZINC000059464324 557821958 /nfs/dbraw/zinc/82/19/58/557821958.db2.gz SUUBJVDCZHSBCO-WGOQTCKBSA-N 0 0 430.529 6.254 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000059418028 557823028 /nfs/dbraw/zinc/82/30/28/557823028.db2.gz IARVIZJAOAONQB-HZHRSRAPSA-N 0 0 448.519 5.695 40 30 IKEBRN CN(C)c1ccc(/C=C2/S/C(=N\c3ccccc3Cl)NC2=O)cc1Br ZINC000059418055 557823217 /nfs/dbraw/zinc/82/32/17/557823217.db2.gz ADYOEIQEBWONMP-MHWRWJLKSA-N 0 0 436.762 5.060 40 30 IKEBRN COc1cc(C=NNc2nc3ccccc3[nH]2)ccc1OCc1ccc(Cl)cc1Cl ZINC000059426557 557823555 /nfs/dbraw/zinc/82/35/55/557823555.db2.gz PMCVXAKJPNTXRG-BRJLIKDPSA-N 0 0 441.318 5.903 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3)NC2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000059427037 557823563 /nfs/dbraw/zinc/82/35/63/557823563.db2.gz QALMIISZIMYIMG-UUYOSTAYSA-N 0 0 435.980 6.256 40 30 IKEBRN O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)CCCC3 ZINC000059433775 557823889 /nfs/dbraw/zinc/82/38/89/557823889.db2.gz FDUQKDOACRMIRU-KIBLKLHPSA-N 0 0 444.343 5.786 40 30 IKEBRN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1c2ccccc2cc2ccccc21 ZINC000059566622 557824051 /nfs/dbraw/zinc/82/40/51/557824051.db2.gz LOESAQALWJQRCG-BKUYFWCQSA-N 0 0 449.362 7.191 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059474890 557824435 /nfs/dbraw/zinc/82/44/35/557824435.db2.gz XHRHFLPKAQTXAZ-MFKUBSTISA-N 0 0 428.517 6.448 40 30 IKEBRN CC(N=Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(-c2ccccc2)cc1 ZINC000059475147 557824670 /nfs/dbraw/zinc/82/46/70/557824670.db2.gz JMBGMKHAXTZQKD-WGOQTCKBSA-N 0 0 448.389 7.076 40 30 IKEBRN CN(C)c1ccc(C=[NH+][N-]c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1 ZINC000059475138 557824694 /nfs/dbraw/zinc/82/46/94/557824694.db2.gz XIPVNGIAEZMVFR-WGOQTCKBSA-N 0 0 432.980 6.643 40 30 IKEBRN CCCCCOc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059484225 557825102 /nfs/dbraw/zinc/82/51/02/557825102.db2.gz VKZUOZGTFFZUAN-VFCFBJKWSA-N 0 0 441.600 7.492 40 30 IKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1OC ZINC000059484323 557825295 /nfs/dbraw/zinc/82/52/95/557825295.db2.gz ULPDIDLFOWURPP-WPWMEQJKSA-N 0 0 443.572 6.639 40 30 IKEBRN COc1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1OC ZINC000059484337 557825301 /nfs/dbraw/zinc/82/53/01/557825301.db2.gz LISPQRKPULCXFS-WGOQTCKBSA-N 0 0 429.545 6.249 40 30 IKEBRN CC(C)c1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000059484846 557825441 /nfs/dbraw/zinc/82/54/41/557825441.db2.gz DPDSYBKOAZMJIH-BLEOTABNSA-N 0 0 426.585 6.483 40 30 IKEBRN CCC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000059489031 557825800 /nfs/dbraw/zinc/82/58/00/557825800.db2.gz ZGMBZAWXBVKJIE-ZCXLWEBDSA-N 0 0 434.337 7.453 40 30 IKEBRN C(=N/c1cc(-c2ccccc2)nn1-c1ccccc1)\c1ccc(OCc2ccccc2)cc1 ZINC000059500236 557826490 /nfs/dbraw/zinc/82/64/90/557826490.db2.gz CRNXBPRKMOBENP-MWAVMZGNSA-N 0 0 429.523 6.869 40 30 IKEBRN O=C(Oc1ccc(/C=N/c2cccc3ccccc32)cc1)c1sc2ccccc2c1Cl ZINC000059500697 557826510 /nfs/dbraw/zinc/82/65/10/557826510.db2.gz MSUNEYOQDYTFRM-LQKURTRISA-N 0 0 441.939 7.678 40 30 IKEBRN CCOc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3C2(C#N)C#N)cc1 ZINC000012411954 557833282 /nfs/dbraw/zinc/83/32/82/557833282.db2.gz BLEBMOZJPYXVTH-FULLSBAXSA-N 0 0 445.522 5.495 40 30 IKEBRN C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501192 560037904 /nfs/dbraw/zinc/03/79/04/560037904.db2.gz MHAVMNJPXLZEIG-MXXXFCNWSA-N 0 0 438.696 7.412 40 30 biogenic,in-vitro IKEBRN N#Cc1c2c(sc1NC(=O)CSc1nc(-c3ccc(Cl)cc3)c[nH]1)CCCC2 ZINC000006445734 562946704 /nfs/dbraw/zinc/94/67/04/562946704.db2.gz HEXVPDPSGJRBQW-UHFFFAOYSA-N 0 0 428.970 5.273 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C ZINC000014133301 568622191 /nfs/dbraw/zinc/62/21/91/568622191.db2.gz KCNZRFAYRJWKKZ-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN N#Cc1c(N)nc2c(c1N)[C@H](c1ccc(Br)cc1)c1ccc3ccccc3c1O2 ZINC000015022731 568628023 /nfs/dbraw/zinc/62/80/23/568628023.db2.gz SVIAZIZVOOLBPP-GOSISDBHSA-N 0 0 443.304 5.319 40 30 IKEBRN C=CCn1c(-c2cccs2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000015022062 568632376 /nfs/dbraw/zinc/63/23/76/568632376.db2.gz XXICRRJCBYHUCC-VHXPQNKSSA-N 0 0 433.606 5.681 40 30 IKEBRN Cn1cc(CN2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)c2cc(F)ccc21 ZINC000585294408 568632484 /nfs/dbraw/zinc/63/24/84/568632484.db2.gz DZHXVAYLCUYSJD-QFIPXVFZSA-N 0 0 446.555 5.511 40 30 IKEBRN Cn1cc(CN2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)c2ccccc21 ZINC000585295148 568632620 /nfs/dbraw/zinc/63/26/20/568632620.db2.gz NCSGTYHJDUWFQK-QFIPXVFZSA-N 0 0 428.565 5.372 40 30 IKEBRN CCCCc1ccc(CN2CCCC[C@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 ZINC000585294746 568632948 /nfs/dbraw/zinc/63/29/48/568632948.db2.gz JADLJFPTRLNCAD-NRFANRHFSA-N 0 0 437.638 6.285 40 30 IKEBRN N#Cc1ccc(Nc2nccc([C@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)cn1 ZINC000585295083 568633234 /nfs/dbraw/zinc/63/32/34/568633234.db2.gz ZKAMLLNXPPJZCI-XMMPIXPASA-N 0 0 440.551 5.145 40 30 IKEBRN COC(=O)c1ccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)cc1 ZINC000003208154 568742945 /nfs/dbraw/zinc/74/29/45/568742945.db2.gz ILWDMLMTVNTMTC-ZMOGYAJESA-N 0 0 435.277 5.795 40 30 IKEBRN CCOc1ccc(OCC)c(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c1 ZINC000001354398 568780550 /nfs/dbraw/zinc/78/05/50/568780550.db2.gz KYBGEKCVXPNQQW-UHFFFAOYSA-N 0 0 435.549 5.252 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3cccc4ccccc43)sc2C1 ZINC000032124673 568781462 /nfs/dbraw/zinc/78/14/62/568781462.db2.gz JZSZQICPRMVZAE-QGZVFWFLSA-N 0 0 434.630 6.655 40 30 IKEBRN Clc1cc(Cl)c(NN=Cc2ccc(-c3ccc(Br)cc3)o2)c(Cl)c1 ZINC000008989951 568793593 /nfs/dbraw/zinc/79/35/93/568793593.db2.gz FGACDBQRUPESHX-LSFURLLWSA-N 0 0 444.543 7.115 40 30 IKEBRN C=CCSC1=NC(C)(C)C[C@@]2(C[C@@H](c3ccc(Cl)cc3)c3ccc(O)cc3O2)N1 ZINC000006232540 568806242 /nfs/dbraw/zinc/80/62/42/568806242.db2.gz OVYRVZAGYCMZGR-CVDCTZTESA-N 0 0 428.985 5.703 40 30 IKEBRN CCOC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000006089428 568821743 /nfs/dbraw/zinc/82/17/43/568821743.db2.gz DMYMRBNDCHJZLP-SFHVURJKSA-N 0 0 444.600 6.628 40 30 IKEBRN CCOC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(-c2ccc(C(C)(C)C)cc2)c1C#N ZINC000006089419 568821762 /nfs/dbraw/zinc/82/17/62/568821762.db2.gz DMYMRBNDCHJZLP-GOSISDBHSA-N 0 0 444.600 6.628 40 30 IKEBRN C=CCSc1nnc2c(n1)O[C@H](c1ccc(OC3CCCC3)cc1)Nc1ccccc1-2 ZINC000015015926 568828033 /nfs/dbraw/zinc/82/80/33/568828033.db2.gz MAJOFXDSVLEPEH-JOCHJYFZSA-N 0 0 432.549 5.641 40 30 IKEBRN C#CCN1C(=O)S/C(=C\c2cc(CC=C)c(OCc3ccccc3)c(OCC)c2)C1=O ZINC000015012756 568828037 /nfs/dbraw/zinc/82/80/37/568828037.db2.gz MFCQJBVXEFPPQA-JWGURIENSA-N 0 0 433.529 5.062 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OCC ZINC000016688995 568829965 /nfs/dbraw/zinc/82/99/65/568829965.db2.gz YRTSSXJMYHLSKV-STZFKDTASA-N 0 0 425.575 5.360 40 30 IKEBRN C#CCOc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc1OCC ZINC000016688870 568830059 /nfs/dbraw/zinc/83/00/59/568830059.db2.gz IBBXSOAAYSHZEW-OCKHKDLRSA-N 0 0 429.303 5.210 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(C)cc1 ZINC000002450046 568835679 /nfs/dbraw/zinc/83/56/79/568835679.db2.gz ODJHPUIJXFZFIE-UHFFFAOYSA-N 0 0 433.364 5.477 40 30 IKEBRN CCOc1ccc2nc(NC(=O)CSc3nc4ccc(C)cc4cc3C#N)sc2c1 ZINC000006134282 568844825 /nfs/dbraw/zinc/84/48/25/568844825.db2.gz CYKPQNAMXSBAEE-UHFFFAOYSA-N 0 0 434.546 5.154 40 30 IKEBRN Cc1ccc(C)c2c1[C@](O)(C#Cc1ccccc1)c1ccccc1[C@]2(O)C#Cc1ccccc1 ZINC000017104981 568851203 /nfs/dbraw/zinc/85/12/03/568851203.db2.gz LIJDDZSESNXDAV-MEKGRNQZSA-N 0 0 440.542 5.192 40 30 IKEBRN C=CCc1cc(C(=C\C)/C(=C\C)c2ccc(OC(C)=O)c(CC=C)c2)ccc1OC(C)=O ZINC000017303457 568852244 /nfs/dbraw/zinc/85/22/44/568852244.db2.gz JYHPJEHAFFAGBR-GEHPDYRDSA-N 0 0 430.544 6.501 40 30 IKEBRN FC(F)(F)C1(C(F)(F)F)O/C(=N\C2CCCCC2)C(C(F)(F)F)(C(F)(F)F)O1 ZINC000575372011 568855292 /nfs/dbraw/zinc/85/52/92/568855292.db2.gz PEPLUYGLKLLGRG-FFFWXYFFSA-N 0 0 441.212 5.449 40 30 IKEBRN C=C(C)COc1cccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000020423812 568856180 /nfs/dbraw/zinc/85/61/80/568856180.db2.gz RLWFSUWHKGQWJS-UHFFFAOYSA-N 0 0 426.560 5.189 40 30 IKEBRN COc1ccc(OC)c(-c2cs/c(=N\c3ccc(F)cc3F)n2/N=C/c2ccco2)c1 ZINC000015910462 568858534 /nfs/dbraw/zinc/85/85/34/568858534.db2.gz RKJOQONABXHHDM-DMVPFBPMSA-N 0 0 441.459 5.220 40 30 IKEBRN Cc1ccc2nc(-c3ccc(/N=C4\SCCCN4C(=O)C4CCCC4)cc3)sc2c1 ZINC000015981854 568861961 /nfs/dbraw/zinc/86/19/61/568861961.db2.gz RQAFYESHWVJJON-IZHYLOQSSA-N 0 0 435.618 6.415 40 30 IKEBRN C=C(CCCC)[N@H+](Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)[C@H](C(=O)[O-])C(C)C ZINC000584578851 568866054 /nfs/dbraw/zinc/86/60/54/568866054.db2.gz ACDVQHBMHPGDII-QHCPKHFHSA-N 0 0 433.556 5.149 40 30 IKEBRN N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1ccc(Cl)cc1 ZINC000223668537 568876186 /nfs/dbraw/zinc/87/61/86/568876186.db2.gz DYZPCNYCELZHPB-UHFFFAOYSA-N 0 0 435.767 5.774 40 30 IKEBRN N#Cc1c(N)nc(SCc2ccc(Br)cc2)nc1Cc1ccccc1Cl ZINC000223667198 568876311 /nfs/dbraw/zinc/87/63/11/568876311.db2.gz PMXMCTUVDWMGBJ-UHFFFAOYSA-N 0 0 445.773 5.229 40 30 IKEBRN COc1ccc(OCc2nc(SCc3ccc(Cl)cc3Cl)nc(N)c2C#N)cc1 ZINC000223694976 568876414 /nfs/dbraw/zinc/87/64/14/568876414.db2.gz WMHKHSSRCVBRSX-UHFFFAOYSA-N 0 0 447.347 5.117 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1)S(C)(=O)=O ZINC000218388737 568883799 /nfs/dbraw/zinc/88/37/99/568883799.db2.gz WAECHAJRSUNSTI-UHFFFAOYSA-N 0 0 447.560 5.019 40 30 IKEBRN C/C(=N\n1c(-c2ccc(Cl)cc2)cs/c1=N\c1ccc(Cl)cc1)c1ccncc1 ZINC000102924848 568890605 /nfs/dbraw/zinc/89/06/05/568890605.db2.gz ZQCAXIHJKPXEGG-MQBPDJCZSA-N 0 0 439.371 6.423 40 30 IKEBRN CC(C)(C)c1cc2oc3c(c2c(/C=N/c2sc4c(c2C#N)CCCC4)c1O)CCCC3 ZINC000102939810 568890792 /nfs/dbraw/zinc/89/07/92/568890792.db2.gz NAOZZANXCNOIPO-CCVNUDIWSA-N 0 0 432.589 6.877 40 30 IKEBRN COc1cc(CN=Nc2nc(C)nc3sc(-c4ccccc4)cc32)cc(OC)c1OC ZINC000033045707 568896006 /nfs/dbraw/zinc/89/60/06/568896006.db2.gz GHQPCINNPGPGES-ZMOGYAJESA-N 0 0 434.521 5.139 40 30 IKEBRN CCc1ccc(/C=N/n2c(-c3ccc(C)cc3)cs/c2=N/c2ccc(Cl)cc2)cc1 ZINC000102960419 568900469 /nfs/dbraw/zinc/90/04/69/568900469.db2.gz PTWXMGDMXSWVNW-REUZPSCBSA-N 0 0 431.992 6.855 40 30 IKEBRN C[C@@H]1CCCCC1N=Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] ZINC000102983129 568900633 /nfs/dbraw/zinc/90/06/33/568900633.db2.gz XILSPTHKPGEFQZ-AJMWVYNUSA-N 0 0 436.921 5.027 40 30 IKEBRN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)c1 ZINC000001840479 568916411 /nfs/dbraw/zinc/91/64/11/568916411.db2.gz SQCRRVCVKFHNGC-HNNXBMFYSA-N 0 0 425.623 5.514 40 30 IKEBRN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCc1ccccc1Cl ZINC000006474175 568919845 /nfs/dbraw/zinc/91/98/45/568919845.db2.gz IESYACAGFXSSPA-UHFFFAOYSA-N 0 0 447.390 7.886 40 30 IKEBRN N#Cc1ccc(OCc2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1 ZINC000006474916 568919858 /nfs/dbraw/zinc/91/98/58/568919858.db2.gz RBLACBPJKWBFHK-UHFFFAOYSA-N 0 0 432.936 5.664 40 30 IKEBRN N#Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1SCC(=O)Nc1ccccc1 ZINC000006474322 568919874 /nfs/dbraw/zinc/91/98/74/568919874.db2.gz GKAOUKUMRIHYAN-UHFFFAOYSA-N 0 0 439.515 6.157 40 30 IKEBRN N#Cc1c(-c2ccc(Cl)cc2)cc(-c2ccccc2)nc1SCc1ccc(Cl)cc1 ZINC000006474169 568919879 /nfs/dbraw/zinc/91/98/79/568919879.db2.gz FMMWUBCKMNMOMA-UHFFFAOYSA-N 0 0 447.390 7.886 40 30 IKEBRN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1cccc(OCc2cccc(Cl)c2)c1 ZINC000016545578 568921263 /nfs/dbraw/zinc/92/12/63/568921263.db2.gz RIBPQOYTROZOIB-UHFFFAOYSA-N 0 0 449.901 5.712 40 30 IKEBRN C=CCSC1=NN2[C@@H](C(=O)N1)c1ccccc1N[C@@H]2c1cccc(Oc2ccccc2)c1 ZINC000588229224 568926999 /nfs/dbraw/zinc/92/69/99/568926999.db2.gz NYBKUWCZLAXXFC-PKTZIBPZSA-N 0 0 442.544 5.266 40 30 IKEBRN CC(C)(C)c1ccc(/C=C/c2nc(C#N)c(N3CCN(C(=O)c4cccs4)CC3)o2)cc1 ZINC000036629224 569125128 /nfs/dbraw/zinc/12/51/28/569125128.db2.gz PCSMDQHLJUPJID-DHZHZOJOSA-N 0 0 446.576 5.038 40 30 IKEBRN C=C1CC[C@]2(C)[C@@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1C ZINC000238774071 569130577 /nfs/dbraw/zinc/13/05/77/569130577.db2.gz HUTYZQWCTWWXND-NCTFTGAASA-N 0 0 440.712 6.916 40 30 biogenic,in-vitro IKEBRN C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253598147 569136788 /nfs/dbraw/zinc/13/67/88/569136788.db2.gz MQYXUWHLBZFQQO-SOTSMLHSSA-N 0 0 426.729 8.025 40 30 IKEBRN CCOC(=O)/C(C)=C1\N=C(c2ccccc2)O/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000005496383 569155578 /nfs/dbraw/zinc/15/55/78/569155578.db2.gz OKIBUTSBBORVHP-VLRXCLQYSA-N 0 0 437.584 5.581 40 30 IKEBRN C=CCn1c(CNc2cccc(Cl)c2C)nn(CC(=O)Nc2ccccc2C)c1=S ZINC000016768672 569161504 /nfs/dbraw/zinc/16/15/04/569161504.db2.gz ZCROTWUMFFIHEB-UHFFFAOYSA-N 0 0 441.988 5.121 40 30 IKEBRN Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc(C)c1Cl ZINC000017097322 569172389 /nfs/dbraw/zinc/17/23/89/569172389.db2.gz NNWZUHOTXBARCV-OAHLLOKOSA-N 0 0 431.001 6.059 40 30 IKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2C1 ZINC000017097417 569172509 /nfs/dbraw/zinc/17/25/09/569172509.db2.gz QROSFKTVJKDZTL-LLVKDONJSA-N 0 0 431.344 6.564 40 30 IKEBRN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c(F)c1 ZINC000017094711 569172530 /nfs/dbraw/zinc/17/25/30/569172530.db2.gz PVFMBLHCMKBWBU-UHFFFAOYSA-N 0 0 426.234 6.065 40 30 IKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)sc2C1 ZINC000017097409 569172719 /nfs/dbraw/zinc/17/27/19/569172719.db2.gz UUKARDXUFASYQB-NSHDSACASA-N 0 0 431.344 6.564 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2C1 ZINC000017097316 569172733 /nfs/dbraw/zinc/17/27/33/569172733.db2.gz ZDMNJOWJFQHORJ-AWEZNQCLSA-N 0 0 431.001 6.220 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2C1 ZINC000017098367 569173316 /nfs/dbraw/zinc/17/33/16/569173316.db2.gz SQNXLBNMMMSKFA-KVEVGEHQSA-N 0 0 433.404 6.729 40 30 IKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CC[C@@H](C)C4)o2)cc1Cl ZINC000017100989 569173429 /nfs/dbraw/zinc/17/34/29/569173429.db2.gz KQPHNWHORPJHBX-DNGMOHDESA-N 0 0 436.964 6.618 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(Cl)c3)sc2C1 ZINC000017097778 569173532 /nfs/dbraw/zinc/17/35/32/569173532.db2.gz JMFJSCDMCNUZKB-CYBMUJFWSA-N 0 0 432.014 5.551 40 30 IKEBRN COc1c(Cl)cc(Cl)cc1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000017101227 569173819 /nfs/dbraw/zinc/17/38/19/569173819.db2.gz VNCWHQSXJQXCKY-NSHDSACASA-N 0 0 437.392 6.338 40 30 IKEBRN Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)o2)cc1Cl ZINC000017100991 569173834 /nfs/dbraw/zinc/17/38/34/569173834.db2.gz KQPHNWHORPJHBX-RNVIBTMRSA-N 0 0 436.964 6.618 40 30 IKEBRN C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@](C)(O)C(C)(C)O ZINC000033822428 569182349 /nfs/dbraw/zinc/18/23/49/569182349.db2.gz BPEQZNMKGFTMQE-AYOVJLNISA-N 0 0 428.657 5.871 40 30 in-vitro IKEBRN COc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)Nc2ccccc2C#N)cc1OC ZINC000027232093 569186839 /nfs/dbraw/zinc/18/68/39/569186839.db2.gz OBNSVYJLIKBQBM-UHFFFAOYSA-N 0 0 439.475 5.072 40 30 IKEBRN N#Cc1c(NC(=O)c2ccc(Cl)cc2Cl)oc(-c2ccccc2)c1-c1ccccc1 ZINC000002190276 569190547 /nfs/dbraw/zinc/19/05/47/569190547.db2.gz DNXWNJVRECBZSZ-UHFFFAOYSA-N 0 0 433.294 7.044 40 30 IKEBRN C=CCSc1nnc2c(n1)O[C@H]([C@H]1C[C@@H]3C(=CCCC3(C)C)C[C@H]1C)Nc1ccccc1-2 ZINC000009601832 569215831 /nfs/dbraw/zinc/21/58/31/569215831.db2.gz FFPWFNSTHNZZLR-YPHICONVSA-N 0 0 448.636 6.356 40 30 IKEBRN Clc1ccccc1CN/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000008811980 569219131 /nfs/dbraw/zinc/21/91/31/569219131.db2.gz NPYLCAOHMASMBM-MUFRIFMGSA-N 0 0 435.354 6.849 40 30 IKEBRN O=[N+]([O-])c1cc(Br)ccc1-c1ccc(/C=N/NCc2ccccc2Cl)o1 ZINC000008811466 569219134 /nfs/dbraw/zinc/21/91/34/569219134.db2.gz MXMYRRJKMAHACG-SSDVNMTOSA-N 0 0 434.677 5.394 40 30 IKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000008811400 569219145 /nfs/dbraw/zinc/21/91/45/569219145.db2.gz VDWWIPIZDBDCML-AFUMVMLFSA-N 0 0 439.899 5.350 40 30 IKEBRN COc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000008811869 569219161 /nfs/dbraw/zinc/21/91/61/569219161.db2.gz NHOXYBMZTTUXEL-RPPGKUMJSA-N 0 0 449.765 6.358 40 30 IKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000010118766 569221247 /nfs/dbraw/zinc/22/12/47/569221247.db2.gz DFWOGZQPTRQIEM-JFLMPSFJSA-N 0 0 429.347 6.095 40 30 IKEBRN Clc1ccc(CN/N=C/c2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000010118716 569221267 /nfs/dbraw/zinc/22/12/67/569221267.db2.gz FOYVJGALBOBRIM-AFUMVMLFSA-N 0 0 429.745 5.805 40 30 IKEBRN Clc1ccc(CN/N=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000010118888 569221354 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ZINC000020436966 569365625 /nfs/dbraw/zinc/36/56/25/569365625.db2.gz BLEBMOZJPYXVTH-PBWSGDRGSA-N 0 0 445.522 5.495 40 30 IKEBRN CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C#N)c1 ZINC000225752805 569408054 /nfs/dbraw/zinc/40/80/54/569408054.db2.gz GMOBLELBXUOXAQ-HNNXBMFYSA-N 0 0 431.363 6.493 40 30 IKEBRN Cc1c2c(ccc1OCc1ccc(F)cc1Cl)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182539 569408695 /nfs/dbraw/zinc/40/86/95/569408695.db2.gz YWQRRXJPLFBIDQ-MYKKPKGFSA-N 0 0 447.893 6.474 40 30 IKEBRN CCn1cc(/C=C2\Oc3cc(OCc4ccccc4C)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182551 569408742 /nfs/dbraw/zinc/40/87/42/569408742.db2.gz RKYIULIMEAVBHM-WKIKZPBSSA-N 0 0 439.511 6.173 40 30 IKEBRN Cc1c2c(ccc1OCc1ccccc1Cl)C(=O)/C(=C/c1cn(C)c3ccccc13)O2 ZINC000028182540 569408762 /nfs/dbraw/zinc/40/87/62/569408762.db2.gz HXVWUDLZLWNPCN-CFRMEGHHSA-N 0 0 429.903 6.335 40 30 IKEBRN COc1cccc(COc2ccc3c(c2C)O/C(=C\c2cn(C)c4ccccc24)C3=O)c1 ZINC000028182761 569408775 /nfs/dbraw/zinc/40/87/75/569408775.db2.gz CMIGNURCZBRVSR-QFEZKATASA-N 0 0 425.484 5.691 40 30 IKEBRN CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)CC)C2 ZINC000002764215 569420529 /nfs/dbraw/zinc/42/05/29/569420529.db2.gz KEHRIDXLPHRIIU-LBPRGKRZSA-N 0 0 449.418 5.392 40 30 IKEBRN C=CCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccccc1C ZINC000003021623 569435965 /nfs/dbraw/zinc/43/59/65/569435965.db2.gz IZVYDDJPBQSGBS-QUOYTPRUSA-N 0 0 427.982 5.809 40 30 IKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3ccc(Br)cc3)nc2c1 ZINC000003060159 569439468 /nfs/dbraw/zinc/43/94/68/569439468.db2.gz GBNQRJDCGFFRSD-FOKLQQMPSA-N 0 0 427.685 6.367 40 30 IKEBRN Cc1ccc([C@H]2C(c3nc(-c4ccccc4)cs3)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003073416 569439871 /nfs/dbraw/zinc/43/98/71/569439871.db2.gz CVTLTSDKNATWQH-JOCHJYFZSA-N 0 0 442.584 6.203 40 30 IKEBRN O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)C(F)F)c1cccc2ccccc21 ZINC000003088886 569439973 /nfs/dbraw/zinc/43/99/73/569439973.db2.gz QEGZEMGEBBNWRW-UHFFFAOYSA-N 0 0 445.334 6.390 40 30 IKEBRN COc1ccc(/C=N/c2ccc3oc(-c4ccc(F)cc4)nc3c2)cc1Br ZINC000003099157 569440143 /nfs/dbraw/zinc/44/01/43/569440143.db2.gz CDZYOJQLALPHTG-WYMPLXKRSA-N 0 0 425.257 6.156 40 30 IKEBRN Cc1c(/N=C/c2ccc(Sc3cccc4cccnc43)o2)c(=O)n(-c2ccccc2)n1C ZINC000003100872 569440188 /nfs/dbraw/zinc/44/01/88/569440188.db2.gz BNGBGZLWMLMVTF-JVWAILMASA-N 0 0 440.528 5.527 40 30 IKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)ccc1Br ZINC000003112976 569440378 /nfs/dbraw/zinc/44/03/78/569440378.db2.gz KFTVIZFZZSEQNU-WSDLNYQXSA-N 0 0 438.306 6.385 40 30 IKEBRN CCOc1cccc(/C=N/c2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1O ZINC000003150254 569440945 /nfs/dbraw/zinc/44/09/45/569440945.db2.gz AOLCAXJESIHWEM-BRJLIKDPSA-N 0 0 427.287 6.657 40 30 IKEBRN Cc1ccc(S(=O)(=O)Nc2cc(/N=C/c3ccccc3O)c(Cl)cc2Cl)cc1 ZINC000003202179 569441596 /nfs/dbraw/zinc/44/15/96/569441596.db2.gz HVNUMQMNHVMHQF-FSJBWODESA-N 0 0 435.332 5.559 40 30 IKEBRN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000004081756 569458612 /nfs/dbraw/zinc/45/86/12/569458612.db2.gz MHAVMNJPXLZEIG-ANQPKLBTSA-N 0 0 438.696 7.412 40 30 biogenic IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3ccccc3Cl)sc2C1 ZINC000032124876 569460297 /nfs/dbraw/zinc/46/02/97/569460297.db2.gz JIIVZYUDZPXBKM-ZDUSSCGKSA-N 0 0 430.957 5.220 40 30 IKEBRN O=C1/C(=C\c2ccc(F)cc2)SC(=S)N1/N=C/c1ccc(-c2ccccc2Cl)o1 ZINC000008818908 569477006 /nfs/dbraw/zinc/47/70/06/569477006.db2.gz OAQYHCADWPXUEV-UGWHWXBPSA-N 0 0 442.924 5.974 40 30 IKEBRN C=CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccccc1 ZINC000009446971 569536004 /nfs/dbraw/zinc/53/60/04/569536004.db2.gz SEWKQVRGQXLBDH-QHCPKHFHSA-N 0 0 440.572 5.912 40 30 IKEBRN C=CCn1c(CSc2ccc(CC)cc2)nnc1SCc1cccc2ccccc21 ZINC000070503711 569545073 /nfs/dbraw/zinc/54/50/73/569545073.db2.gz OYCGXIFIEXOEOH-UHFFFAOYSA-N 0 0 431.630 6.764 40 30 IKEBRN Cc1ccc(-c2nc(N=NC(C)c3ccccc3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408977754 569582797 /nfs/dbraw/zinc/58/27/97/569582797.db2.gz XJEGLGNIEBVCOS-OVVQPSECSA-N 0 0 442.544 6.838 40 30 IKEBRN CC(C)(C)Nc1nc(Nc2ccccc2C#N)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000328973146 569583015 /nfs/dbraw/zinc/58/30/15/569583015.db2.gz DZIDSIAOCHEJRB-UHFFFAOYSA-N 0 0 427.430 5.868 40 30 IKEBRN Cc1cc(C)c(OCC(=O)Nc2c(C)cc3nc(N=NC(C)C)sc3c2C)c(Cl)c1 ZINC000072228854 569583095 /nfs/dbraw/zinc/58/30/95/569583095.db2.gz IUWCTRGFIZDLGQ-UHFFFAOYSA-N 0 0 444.988 6.009 40 30 IKEBRN CC(C)Cc1ccc(CN2CCCC[C@@H]2c2csc(Nc3ccc(C#N)nc3)n2)s1 ZINC000585295061 569583179 /nfs/dbraw/zinc/58/31/79/569583179.db2.gz YTZWJYKCTCEADQ-JOCHJYFZSA-N 0 0 437.638 6.141 40 30 IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(OC)c(Cl)c3)c(C)c2s1 ZINC000072228728 569583557 /nfs/dbraw/zinc/58/35/57/569583557.db2.gz KXYJAMVQCBIQOU-ROTLSHHCSA-N 0 0 430.961 6.025 40 30 IKEBRN CC(=O)Nc1ccc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NC(C)C)n2)cc1 ZINC000328984903 569583568 /nfs/dbraw/zinc/58/35/68/569583568.db2.gz HQKCHQPKCFEWQB-UHFFFAOYSA-N 0 0 445.445 6.214 40 30 IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)COc3ccc(C(C)C)cc3)c(C)c2s1 ZINC000072228794 569583588 /nfs/dbraw/zinc/58/35/88/569583588.db2.gz IMXGGBBCUYOBKJ-YUMHPJSZSA-N 0 0 438.597 6.252 40 30 IKEBRN O=[N+]([O-])c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059484260 569584187 /nfs/dbraw/zinc/58/41/87/569584187.db2.gz LEADPKJGYXLZLW-OEAKJJBVSA-N 0 0 445.460 5.740 40 30 IKEBRN CCOc1cc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)ccc1O ZINC000059484326 569584454 /nfs/dbraw/zinc/58/44/54/569584454.db2.gz CGXSDCKIYJXGHR-WGOQTCKBSA-N 0 0 429.545 6.336 40 30 IKEBRN Cc1sc(N=NCc2ccc(OC(=O)c3cccc(Cl)c3)cc2)nc1-c1ccccc1 ZINC000059193813 569585064 /nfs/dbraw/zinc/58/50/64/569585064.db2.gz HFKLFKIERBATSR-CVKSISIWSA-N 0 0 447.947 6.437 40 30 IKEBRN Cc1sc(N=NCc2ccc(OC(=O)c3ccc(C)cc3)cc2)nc1-c1ccccc1 ZINC000059193860 569585083 /nfs/dbraw/zinc/58/50/83/569585083.db2.gz WGPZGNJDVHNYCX-WGOQTCKBSA-N 0 0 427.529 6.092 40 30 IKEBRN CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1ccccc1Cl ZINC000408979683 569585127 /nfs/dbraw/zinc/58/51/27/569585127.db2.gz NZLQWTYAKUTRIF-UHFFFAOYSA-N 0 0 433.939 5.712 40 30 IKEBRN Cc1nc(N)c(C#N)c(-c2ccccc2OCc2ccc([N+](=O)[O-])cc2)c1-c1ccccc1 ZINC000408979589 569585171 /nfs/dbraw/zinc/58/51/71/569585171.db2.gz NATBOKWWVCUBFP-UHFFFAOYSA-N 0 0 436.471 5.665 40 30 IKEBRN N#Cc1c(N)ncc(-c2ccccc2)c1-c1ccc(OCc2cccc3ccccc32)cc1 ZINC000408982365 569585183 /nfs/dbraw/zinc/58/51/83/569585183.db2.gz XTEKYVNVZSDVTO-UHFFFAOYSA-N 0 0 427.507 6.602 40 30 IKEBRN N#Cc1c(N)nc2c(c1-c1ccccc1OCc1ccc(Br)cc1)CCCC2 ZINC000408977591 569585184 /nfs/dbraw/zinc/58/51/84/569585184.db2.gz DWQYTNZRVHZIEJ-UHFFFAOYSA-N 0 0 434.337 5.423 40 30 IKEBRN Cc1nc(N)c(C#N)c(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)c1-c1ccccc1 ZINC000408980505 569585185 /nfs/dbraw/zinc/58/51/85/569585185.db2.gz RNZWWYNKIIPMGN-UHFFFAOYSA-N 0 0 436.471 5.665 40 30 IKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc2ncccc2c1 ZINC000100505608 123487107 /nfs/dbraw/zinc/48/71/07/123487107.db2.gz YSABFKLXKYRUKY-CCSRSWJSSA-N 0 0 432.574 5.619 40 30 IKEBRN O=C1CCCC2=C1C(c1ccc(-c3ccc([N+](=O)[O-])cc3Cl)o1)C1=C(CCCC1=O)O2 ZINC000408603528 193972879 /nfs/dbraw/zinc/97/28/79/193972879.db2.gz RNCQAWZIVPVFDE-UHFFFAOYSA-N 0 0 439.851 5.636 40 30 IKEBRN Brc1ccc(/C=N/c2ccc(/N=C/c3ccc(Br)cc3)cc2)cc1 ZINC000095851145 518209823 /nfs/dbraw/zinc/20/98/23/518209823.db2.gz ABIMDDIMIIGMLZ-RNIAWFEPSA-N 0 0 442.154 6.713 40 30 IKEBRN C(=N/N1CN(/N=C/c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1)\c1ccccc1 ZINC000005518872 518375777 /nfs/dbraw/zinc/37/57/77/518375777.db2.gz UCGXOCDSFKLAHV-FYXGDLPFSA-N 0 0 430.555 6.112 40 30 IKEBRN C(=N\OCc1nc2c3c(ncn2n1)oc(-c1ccccc1)c3-c1ccccc1)\c1ccccc1 ZINC000013645001 518380133 /nfs/dbraw/zinc/38/01/33/518380133.db2.gz MPRFJERJJOVHRU-MWLSYYOVSA-N 0 0 445.482 5.755 40 30 IKEBRN C/C(=C\C(=O)c1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1 ZINC000104248674 518432466 /nfs/dbraw/zinc/43/24/66/518432466.db2.gz QBNDLZPWGPIVIC-QZQOTICOSA-N 0 0 438.617 8.275 40 30 IKEBRN CC(N=Nc1cc(Cl)nc(-c2ccccc2)n1)c1ccc(I)cc1 ZINC000013563103 518464784 /nfs/dbraw/zinc/46/47/84/518464784.db2.gz UZRLDOZFQPRUAP-FSJBWODESA-N 0 0 448.695 5.238 40 30 IKEBRN CC(C)(C)C1=C/C(=N/C(=O)c2ccccc2)C(Cl)(Cl)[C@@](Cl)(C(C)(C)C)C1=O ZINC000026787256 518597099 /nfs/dbraw/zinc/59/70/99/518597099.db2.gz OUFGOZOIEYWLPH-FXONECCMSA-N 0 0 428.787 6.021 40 30 IKEBRN C=C(CCC)C1=C(C)C=C2C/C(=C\c3cccc4ccccc34)C(=C)[C@@H]2[C@H]1c1ccccc1 ZINC000054198337 518649799 /nfs/dbraw/zinc/64/97/99/518649799.db2.gz HVURUKJRTJKPJS-VRZNSCJUSA-N 0 0 428.619 9.196 40 30 IKEBRN C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC[C@H]1C(=C)CC[C@H]2C(C)(C)[C@@H](O)CC[C@@]21C ZINC000038605938 518665348 /nfs/dbraw/zinc/66/53/48/518665348.db2.gz GESZMTVZGWZBPW-IHIDZKKCSA-N 0 0 442.728 7.306 40 30 biogenic,in-vitro IKEBRN C=C1S/C(=N\c2cccc(OC)c2)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 ZINC000018209445 518667408 /nfs/dbraw/zinc/66/74/08/518667408.db2.gz OVCNAICVLOTKNV-PYCFMQQDSA-N 0 0 436.368 5.645 40 30 IKEBRN C=CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(OC)cc1 ZINC000224863239 518810012 /nfs/dbraw/zinc/81/00/12/518810012.db2.gz SUEOOSBOKUDSSH-UHFFFAOYSA-N 0 0 437.605 5.544 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)SC1=S ZINC000016268464 518830418 /nfs/dbraw/zinc/83/04/18/518830418.db2.gz JPSNDBIGCHQUHO-XQNSMLJCSA-N 0 0 430.598 6.148 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C1=O ZINC000033313568 518841279 /nfs/dbraw/zinc/84/12/79/518841279.db2.gz FSECSJONKAOSII-LDADJPATSA-N 0 0 430.323 5.250 40 30 IKEBRN C=CCN1c2ccc(Br)cc2C(C)(C)[C@@]12C=Cc1c(ccc3ccccc31)O2 ZINC000016605529 518874079 /nfs/dbraw/zinc/87/40/79/518874079.db2.gz VVYGYEBVKIEEHJ-VWLOTQADSA-N 0 0 432.361 6.688 40 30 IKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC)c(OCC)c1 ZINC000020672314 518973877 /nfs/dbraw/zinc/97/38/77/518973877.db2.gz YXSSLCVJNOHAEP-XMMPIXPASA-N 0 0 447.535 5.242 40 30 IKEBRN C=CCOC(=O)c1cc(Br)c(OCc2cccc3ccccc32)c(OC)c1 ZINC000226325105 518976941 /nfs/dbraw/zinc/97/69/41/518976941.db2.gz MXYAYWWGFNEQKZ-UHFFFAOYSA-N 0 0 427.294 5.533 40 30 IKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 ZINC000008821189 519014383 /nfs/dbraw/zinc/01/43/83/519014383.db2.gz XZZREPGMDDOHPE-YVLHZVERSA-N 0 0 438.858 5.815 40 30 IKEBRN C=CCOc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cc1C(F)(F)F ZINC000225954440 519038523 /nfs/dbraw/zinc/03/85/23/519038523.db2.gz DMUBFHMVIHMHCT-UHFFFAOYSA-N 0 0 439.405 5.100 40 30 IKEBRN C=CCSC1=NC(C)(C)C[C@]2(C[C@H](c3ccc(OC)cc3)c3ccc(O)c(C)c3O2)N1 ZINC000012716882 519075811 /nfs/dbraw/zinc/07/58/11/519075811.db2.gz RYQIQTFWSRHYSV-CJFMBICVSA-N 0 0 438.593 5.367 40 30 IKEBRN C=CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1 ZINC000095869645 519118941 /nfs/dbraw/zinc/11/89/41/519118941.db2.gz NTOCLTIRCOQHPW-VWLOTQADSA-N 0 0 427.500 5.213 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=S)N(C)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000041077629 519126448 /nfs/dbraw/zinc/12/64/48/519126448.db2.gz WRKVUOFJFUXZBX-UNOMPAQXSA-N 0 0 445.993 5.487 40 30 IKEBRN C=CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(C(=O)OCC)cc1 ZINC000013129728 519148599 /nfs/dbraw/zinc/14/85/99/519148599.db2.gz GUHHKQDFXNHGSZ-FLFQWRMESA-N 0 0 433.360 6.119 40 30 IKEBRN C=CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1[C@H](C)Oc1ccccc1 ZINC000032604153 519200536 /nfs/dbraw/zinc/20/05/36/519200536.db2.gz OMDVLVGHDPWCSW-IBGZPJMESA-N 0 0 436.581 5.138 40 30 IKEBRN C=CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1[C@@H](C)Oc1ccccc1 ZINC000032604152 519201567 /nfs/dbraw/zinc/20/15/67/519201567.db2.gz OMDVLVGHDPWCSW-LJQANCHMSA-N 0 0 436.581 5.138 40 30 IKEBRN C=CCn1c(SCc2ccc(OC)cc2)nnc(Nc2cc(Cl)cc(Cl)c2)c1=O ZINC000028537539 519242375 /nfs/dbraw/zinc/24/23/75/519242375.db2.gz GLQAZVXKEVSGEA-UHFFFAOYSA-N 0 0 449.363 5.176 40 30 IKEBRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O ZINC000031262090 519402338 /nfs/dbraw/zinc/40/23/38/519402338.db2.gz DKHGMERMDICWDU-IFQAVNAMSA-N 0 0 444.659 8.918 40 30 aggregator,investigational IKEBRN CC(=O)N(/C(=N/c1ccc(Cl)cc1)c1cccc2ccccc21)c1ccc(Cl)cc1 ZINC000016139008 519437825 /nfs/dbraw/zinc/43/78/25/519437825.db2.gz IHQXJCBDJKFPTJ-AZPGRJICSA-N 0 0 433.338 7.278 40 30 IKEBRN CC(C)C1=CC(=N/C(=N/S(=O)(=O)c2ccccc2)c2ccccc2)C=C(C(C)C)C1=O ZINC000026787088 519558482 /nfs/dbraw/zinc/55/84/82/519558482.db2.gz HLAIKLCSVDOPBE-IMVLJIQESA-N 0 0 434.561 5.011 40 30 IKEBRN CC(C)N1c2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C ZINC000223541921 519699735 /nfs/dbraw/zinc/69/97/35/519699735.db2.gz ROMDTCNGUVCSEB-LUILSVGHSA-N 0 0 425.489 5.450 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C/C(=C\c5cn(C)nc5C)C(=O)[C@@]4(C)CC[C@H]32)C1 ZINC000252483225 519756969 /nfs/dbraw/zinc/75/69/69/519756969.db2.gz DXRJBJUDWMWZPC-ZWXAKWCWSA-N 0 0 436.596 5.185 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914958 519756977 /nfs/dbraw/zinc/75/69/77/519756977.db2.gz AXNNSHMUJUSTKY-XCWLXJHVSA-N 0 0 434.620 5.744 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](C(=O)/C=C/c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000123276457 519757058 /nfs/dbraw/zinc/75/70/58/519757058.db2.gz SWTNFHMWIPZFLE-PTUYKMGWSA-N 0 0 448.647 6.860 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000253617260 519757652 /nfs/dbraw/zinc/75/76/52/519757652.db2.gz PMBSWZWCNKVWLV-GKMDBBAJSA-N 0 0 442.684 7.139 40 30 IKEBRN CC(=O)O[C@H]1C=C2C(=O)C[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000039414522 519757726 /nfs/dbraw/zinc/75/77/26/519757726.db2.gz HTZDJVPKUOXQMG-ZHERTXFJSA-N 0 0 442.684 7.139 40 30 IKEBRN CCCC/N=C1\Sc2nc3cc4c(cc3cc2CN1Cc1ccc(OC)cc1)OCO4 ZINC000013511155 519887301 /nfs/dbraw/zinc/88/73/01/519887301.db2.gz XHSXYDQNMFBYDI-IZHYLOQSSA-N 0 0 435.549 5.236 40 30 IKEBRN CCCCCCC(=O)/C=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000017127543 519948096 /nfs/dbraw/zinc/94/80/96/519948096.db2.gz UGWXMECXTYMGSS-HTXNQAPBSA-N 0 0 428.572 7.397 40 30 IKEBRN CCCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000015894147 519957770 /nfs/dbraw/zinc/95/77/70/519957770.db2.gz NKJYZYWCGKSMSV-BDPSOKNUSA-N 0 0 442.640 6.360 40 30 in-vitro IKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC000095862771 519967934 /nfs/dbraw/zinc/96/79/34/519967934.db2.gz ICDMLAQPOAVWNH-YHZGQTRVSA-N 0 0 431.661 6.449 40 30 in-vitro IKEBRN CCCCCCCCCCCC(=O)OCCOC(=O)CCCCCCCCCCC ZINC000095680706 519983585 /nfs/dbraw/zinc/98/35/85/519983585.db2.gz ZVUNTIMPQCQCAQ-UHFFFAOYSA-N 0 0 426.682 7.915 40 30 IKEBRN CCCCCCCCCCCC(=O)Oc1ccc(/N=C/c2ccc(SC)cc2)cc1 ZINC000095101148 519984653 /nfs/dbraw/zinc/98/46/53/519984653.db2.gz ROUIIBWXKYKQLA-SZXQPVLSSA-N 0 0 425.638 7.985 40 30 IKEBRN CCCCCCCCCCCCC/C=C/[C@H](OCOC)[C@H](COCOC)OC(C)=O ZINC000095612022 519985267 /nfs/dbraw/zinc/98/52/67/519985267.db2.gz JOSCSIUPYUMNLZ-GKIAHDCUSA-N 0 0 430.626 5.785 40 30 IKEBRN CCCCCCCCCCCCC/C=C/[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@@H]1CO ZINC000072399495 519985777 /nfs/dbraw/zinc/98/57/77/519985777.db2.gz CTHUQQFNFRTUSM-AAXKSKNKSA-N 0 0 439.681 6.977 40 30 in-vitro IKEBRN CCCCCCCCCCCCC/C=C/[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1CO ZINC000072399494 519986363 /nfs/dbraw/zinc/98/63/63/519986363.db2.gz CTHUQQFNFRTUSM-DWVLVAQTSA-N 0 0 439.681 6.977 40 30 in-vitro IKEBRN CCCCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCC[C@H]1C1CCCCC1 ZINC000104254090 519992399 /nfs/dbraw/zinc/99/23/99/519992399.db2.gz JIKPIFVOTIEWIG-URLMMPGGSA-N 0 0 448.776 9.930 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc([N+](=O)[O-])cc1 ZINC000104360101 519999200 /nfs/dbraw/zinc/99/92/00/519999200.db2.gz IVESAFZAZDHUSD-QLYXXIJNSA-N 0 0 448.677 6.874 40 30 IKEBRN CCCCCCCCCCCCOc1ccc(C(=O)Oc2ccc(C=O)c(O)c2)cc1 ZINC000059663695 520011907 /nfs/dbraw/zinc/01/19/07/520011907.db2.gz SIPLYIIIQHCZLP-UHFFFAOYSA-N 0 0 426.553 6.724 40 30 IKEBRN CCCCCCCCNC(=O)C[C@H]1c2ccccc2N(C(=O)c2ccc(Cl)cc2)[C@@H]1C ZINC000064858360 520033684 /nfs/dbraw/zinc/03/36/84/520033684.db2.gz AFBOFJAXQUATPU-AUSIDOKSSA-N 0 0 441.015 6.339 40 30 in-vitro IKEBRN CCCCCCCCOC(=O)C(=Cc1ccc(O)cc1)C(=O)OCCCCCCCC ZINC000059664100 520039259 /nfs/dbraw/zinc/03/92/59/520039259.db2.gz IIEJQXNCSVDZNG-UHFFFAOYSA-N 0 0 432.601 6.583 40 30 IKEBRN CCCCCCCOc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 ZINC000100574615 520064002 /nfs/dbraw/zinc/06/40/02/520064002.db2.gz PRGXYPJHHZSXSQ-UHFFFAOYSA-N 0 0 427.548 6.831 40 30 IKEBRN CCCCCCCSc1nnc2c(n1)O[C@H](c1ccc(O)c(O)c1)Nc1ccccc1-2 ZINC000101007162 520065386 /nfs/dbraw/zinc/06/53/86/520065386.db2.gz OQXASWCPKCASKJ-OAQYLSRUSA-N 0 0 438.553 5.515 40 30 IKEBRN CCCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(O)c1)Nc1ccccc1-2 ZINC000101007160 520066858 /nfs/dbraw/zinc/06/68/58/520066858.db2.gz OQXASWCPKCASKJ-NRFANRHFSA-N 0 0 438.553 5.515 40 30 IKEBRN CCC(C)N=Nc1nc2c(ccc(Cl)c2N2CCN(C(=O)c3ccccc3)CC2)s1 ZINC000072230167 520182137 /nfs/dbraw/zinc/18/21/37/520182137.db2.gz ZCQXOHBNACFTQE-MFKUBSTISA-N 0 0 441.988 5.110 40 30 IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cccc(Br)c3)c(C)c2s1 ZINC000072228603 520183940 /nfs/dbraw/zinc/18/39/40/520183940.db2.gz IYDBUDXGJSIYJM-MSXFZWOLSA-N 0 0 445.386 6.126 40 30 IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(Cl)cc3Cl)c(C)c2s1 ZINC000072228619 520183980 /nfs/dbraw/zinc/18/39/80/520183980.db2.gz APVUVRCLCYSJIR-GATIEOLUSA-N 0 0 435.380 6.670 40 30 IKEBRN CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3ccc(Cl)c(Cl)c3)c(C)c2s1 ZINC000072228623 520184587 /nfs/dbraw/zinc/18/45/87/520184587.db2.gz GSHWLMZZYVARPC-GATIEOLUSA-N 0 0 435.380 6.670 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N(C(=O)c1cccs1)[C@@H]2c1ccc(F)cc1 ZINC000012652075 520262143 /nfs/dbraw/zinc/26/21/43/520262143.db2.gz XHIRCSMLJUGCJY-XMMPIXPASA-N 0 0 446.547 6.344 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1sc(C#N)c(N)c1[C@H]2c1ccc(Br)cc1 ZINC000016578003 520267937 /nfs/dbraw/zinc/26/79/37/520267937.db2.gz STVCYNGBMOYEKD-HNNXBMFYSA-N 0 0 428.355 5.165 40 30 IKEBRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)CC[C@@]34C)[C@H]2C1 ZINC000087493104 520413334 /nfs/dbraw/zinc/41/33/34/520413334.db2.gz XQIVDOSRZQSWFL-POQBZVGCSA-N 0 0 438.696 7.556 40 30 IKEBRN CCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006162450 520419522 /nfs/dbraw/zinc/41/95/22/520419522.db2.gz IPURPGRSMNANST-RUZDIDTESA-N 0 0 430.548 5.390 40 30 IKEBRN CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cccc(C)c1 ZINC000013306167 520553643 /nfs/dbraw/zinc/55/36/43/520553643.db2.gz GPKMHDDTLNBDOW-ZMPCKTLKSA-N 0 0 439.606 5.778 40 30 IKEBRN CC1(C)OC(c2ccccc2)=C/C(=C\C=N\c2ccc(Cl)cc2C(=O)c2ccccc2)O1 ZINC000083294455 520608934 /nfs/dbraw/zinc/60/89/34/520608934.db2.gz LRYWPGGNVAJLHF-HRNGPSPFSA-N 0 0 443.930 6.981 40 30 IKEBRN CCOc1cc(Br)cc(/C=N/c2ccccc2Sc2c(C)n[nH]c2C)c1O ZINC000000793626 520651615 /nfs/dbraw/zinc/65/16/15/520651615.db2.gz JNBIEMQRDSODHT-SSDVNMTOSA-N 0 0 446.370 5.795 40 30 IKEBRN CCCCOC(=O)c1ccc(NC=c2c(C)c(C#N)c3nc4ccccc4n3c2=O)cc1 ZINC000003026350 520719730 /nfs/dbraw/zinc/71/97/30/520719730.db2.gz HSAHXPBWSPVEQH-JFLMPSFJSA-N 0 0 426.476 5.081 40 30 IKEBRN CCCCOC(=O)c1ccc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)cc1 ZINC000016639055 520721006 /nfs/dbraw/zinc/72/10/06/520721006.db2.gz PHAKQFLKWTXQNJ-ZXVVBBHZSA-N 0 0 432.520 5.491 40 30 IKEBRN CCOc1cc([C@@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)ccc1OCCC(C)C ZINC000020797198 520773901 /nfs/dbraw/zinc/77/39/01/520773901.db2.gz VKYJZCSPPZZNRW-RUZDIDTESA-N 0 0 433.552 5.738 40 30 IKEBRN CCOc1cc([C@H]2C(C(C)=O)C(C)=Nc3nc4ccccc4n32)ccc1OCCC(C)C ZINC000020797201 520783804 /nfs/dbraw/zinc/78/38/04/520783804.db2.gz VKYJZCSPPZZNRW-VWLOTQADSA-N 0 0 433.552 5.738 40 30 IKEBRN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(C[C@H](c3cccs3)CC2=O)N1 ZINC000006077314 520813192 /nfs/dbraw/zinc/81/31/92/520813192.db2.gz LIRXJRWOKNJMBE-NPMXOYFQSA-N 0 0 447.585 5.205 40 30 IKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4ccccc4)N(C)C3=O)cc21 ZINC000223484534 520851792 /nfs/dbraw/zinc/85/17/92/520851792.db2.gz VCPNZXLBOPGKPA-KHHYFDFNSA-N 0 0 431.605 6.331 40 30 IKEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)S1 ZINC000008820753 521449989 /nfs/dbraw/zinc/44/99/89/521449989.db2.gz UEMCKGZSFXSKAB-JLPGSUDCSA-N 0 0 444.556 5.864 40 30 IKEBRN CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2C)S/C1=N/c1cccc2ccccc21 ZINC000097405307 521513031 /nfs/dbraw/zinc/51/30/31/521513031.db2.gz UXJFJMSIQZUTRE-DIQLGICBSA-N 0 0 447.585 5.842 40 30 IKEBRN CCNC(=O)O/N=C1\CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)NCC)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000118930656 521743153 /nfs/dbraw/zinc/74/31/53/521743153.db2.gz SNAZURKPPNBWIB-TZMXKYGUSA-N 0 0 445.604 5.166 40 30 IKEBRN CN(C)c1ccc(/C=C2\c3ccccc3-c3ccc(/N=C\c4ccc(N(C)C)cc4)cc32)cc1 ZINC000104335100 522132133 /nfs/dbraw/zinc/13/21/33/522132133.db2.gz MRDRCYQHHJZNJG-JZCWSNDBSA-N 0 0 443.594 7.139 40 30 IKEBRN CN(C)c1ccc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1 ZINC000068568562 522155273 /nfs/dbraw/zinc/15/52/73/522155273.db2.gz NFDMREXGTSXTER-UHFFFAOYSA-N 0 0 439.215 5.948 40 30 IKEBRN CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C ZINC000033970417 522167130 /nfs/dbraw/zinc/16/71/30/522167130.db2.gz IWNCBADONFSAAW-NFVQQQKOSA-N 0 0 428.701 7.204 40 30 endogenous,in-man IKEBRN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OC(=O)c1ccccc1 ZINC000001439832 522308675 /nfs/dbraw/zinc/30/86/75/522308675.db2.gz GPCYVEKQDADILZ-UHFFFAOYSA-N 0 0 444.483 5.042 40 30 IKEBRN CO/N=C(\C)[C@@H]1/C(=N\OC)C[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000253537518 522736981 /nfs/dbraw/zinc/73/69/81/522736981.db2.gz KLCZPBNZZJGNRW-DXDANGSTSA-N 0 0 432.605 5.212 40 30 IKEBRN COc1cc(OC)c([C@@H]2CC(=O)N(c3ccccc3C)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567785 522832014 /nfs/dbraw/zinc/83/20/14/522832014.db2.gz XNHMKGLIGXMGOB-SFHVURJKSA-N 0 0 449.547 5.185 40 30 IKEBRN COc1cc([C@H]2c3c(ccc4ccccc43)NC3=C2C(=O)CCC3)ccc1OC(=O)C(C)C ZINC000013564286 522968025 /nfs/dbraw/zinc/96/80/25/522968025.db2.gz JNKPNWBBZNEBSZ-VWLOTQADSA-N 0 0 441.527 5.974 40 30 IKEBRN COc1cc2cc(C#N)c(SCC(=O)Nc3cccc4ccccc43)nc2cc1OC ZINC000035288609 523056604 /nfs/dbraw/zinc/05/66/04/523056604.db2.gz QMPHHULECBDSMU-UHFFFAOYSA-N 0 0 429.501 5.008 40 30 IKEBRN CCn1c2ccccc2c2cc(/N=C3/C=C(c4ccccc4)[C@](O)(c4ccccc4)C3)ccc21 ZINC000012524580 523274819 /nfs/dbraw/zinc/27/48/19/523274819.db2.gz MOUHOLTUVPPVLV-PANXCERGSA-N 0 0 442.562 7.262 40 30 IKEBRN CCn1c2ccccc2c2cc(/C=C3\S/C(=N\c4cc(Cl)ccc4C)NC3=O)ccc21 ZINC000016162845 523275506 /nfs/dbraw/zinc/27/55/06/523275506.db2.gz GXNXSTHOACKAPQ-QRVIBDJDSA-N 0 0 445.975 6.668 40 30 IKEBRN COc1ccc(/C=C/C(=O)c2ccc3c(=O)n4c5ccccc5nc4c4cccc2c43)cc1 ZINC000016215865 523402877 /nfs/dbraw/zinc/40/28/77/523402877.db2.gz CECPEMGYAMJPBD-LFIBNONCSA-N 0 0 430.463 5.497 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c(C)c1 ZINC000103686876 523413824 /nfs/dbraw/zinc/41/38/24/523413824.db2.gz 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426.119 5.149 40 30 IKEBRN FC(F)(Cl)[C@@](F)(Cl)C(F)(F)[C@](F)(Cl)C(F)(F)C(Cl)(Cl)Cl ZINC000095682118 527661823 /nfs/dbraw/zinc/66/18/23/527661823.db2.gz ZUBPFQXYAINABF-JCYAYHJZSA-N 0 0 436.768 6.268 40 30 IKEBRN FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H]1CO1 ZINC000095681740 527661977 /nfs/dbraw/zinc/66/19/77/527661977.db2.gz NSHDLZDDSBGOKN-VKHMYHEASA-N 0 0 426.119 5.149 40 30 IKEBRN N#Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 ZINC000107805299 557167751 /nfs/dbraw/zinc/16/77/51/557167751.db2.gz SOTFYIZKBZXCSP-UHFFFAOYSA-N 0 0 445.936 5.425 40 30 IKEBRN C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253589462 574421523 /nfs/dbraw/zinc/42/15/23/574421523.db2.gz FVWJYYTZTCVBKE-KFWWVMEXSA-N 0 0 442.728 6.997 40 30 endogenous,in-man IKEBRN COC(=O)c1ccc(/C=C2\CC(C(C)(C)C)C/C(=C/c3ccc(C(=O)OC)cc3)C2=O)cc1 ZINC000009310658 555569335 /nfs/dbraw/zinc/56/93/35/555569335.db2.gz NADWIFYTOHURMR-OQRYGUKSSA-N 0 0 446.543 5.752 40 30 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555708914 /nfs/dbraw/zinc/70/89/14/555708914.db2.gz APFZSRPPJUQXLR-BJKOFHAPSA-N 0 0 431.333 5.498 40 30 IKEBRN CCCOc1ccc(C2=C(c3ccccc3)C(=O)C(c3ccccc3)=C2c2ccccc2)cc1 ZINC000001705149 555710266 /nfs/dbraw/zinc/71/02/66/555710266.db2.gz NZVNMLSAYUSUGA-UHFFFAOYSA-N 0 0 442.558 7.580 40 30 IKEBRN Cc1ccc(S(=O)(=O)OC2CCCC(c3ccccc3)(c3ccccc3)CCC2)cc1 ZINC000001707532 555710271 /nfs/dbraw/zinc/71/02/71/555710271.db2.gz JINGMUPIJPGFQC-UHFFFAOYSA-N 0 0 434.601 6.409 40 30 IKEBRN CCCCCCCCCCCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl ZINC000001713506 555710521 /nfs/dbraw/zinc/71/05/21/555710521.db2.gz MKNJWAXSYGAMGJ-UHFFFAOYSA-N 0 0 448.645 8.780 40 30 IKEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2cccc(Br)c2)C1=O ZINC000408526808 555715975 /nfs/dbraw/zinc/71/59/75/555715975.db2.gz CLDTXPUAYUFWFS-PDGQHHTCSA-N 0 0 430.323 5.250 40 30 IKEBRN CCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)N(CC)C2=C1C(=O)CCC2 ZINC000408535205 555760839 /nfs/dbraw/zinc/76/08/39/555760839.db2.gz YJZPVSPEWOMASC-UHFFFAOYSA-N 0 0 427.972 5.952 40 30 IKEBRN 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ZINC000008821074 556221611 /nfs/dbraw/zinc/22/16/11/556221611.db2.gz DBIMTMJTKYPDKC-HYARGMPZSA-N 0 0 441.468 5.900 40 30 IKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820978 556221616 /nfs/dbraw/zinc/22/16/16/556221616.db2.gz HLPMRGINIQLOSN-VCHYOVAHSA-N 0 0 449.746 6.798 40 30 IKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1C ZINC000008820972 556221662 /nfs/dbraw/zinc/22/16/62/556221662.db2.gz OWTHUTYNLCBQHZ-RGVLZGJSSA-N 0 0 443.355 6.762 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C\c1cccc(Br)c1 ZINC000008821163 556221910 /nfs/dbraw/zinc/22/19/10/556221910.db2.gz MPILJAMPUDOSCS-AUWJEWJLSA-N 0 0 428.138 5.648 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1cccc(Br)c1 ZINC000008821164 556221948 /nfs/dbraw/zinc/22/19/48/556221948.db2.gz LKZYZVLWFKALNO-AUWJEWJLSA-N 0 0 428.138 5.648 40 30 IKEBRN COC(=O)c1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 ZINC000008821135 556221957 /nfs/dbraw/zinc/22/19/57/556221957.db2.gz SKCBIECXDBQYSA-NVNXTCNLSA-N 0 0 440.830 5.037 40 30 IKEBRN O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1cccc(Br)c1 ZINC000008821157 556221980 /nfs/dbraw/zinc/22/19/80/556221980.db2.gz JQTQOQPPGTVSCQ-ZSOIEALJSA-N 0 0 427.245 5.360 40 30 IKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C\c1ccc(Br)cc1 ZINC000008821175 556221987 /nfs/dbraw/zinc/22/19/87/556221987.db2.gz GKLNXGRRLXTWKU-JYRVWZFOSA-N 0 0 428.138 5.648 40 30 IKEBRN O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000008821199 556222095 /nfs/dbraw/zinc/22/20/95/556222095.db2.gz AGFZJHLUSVZSTG-AUWJEWJLSA-N 0 0 427.791 5.159 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000008821197 556222174 /nfs/dbraw/zinc/22/21/74/556222174.db2.gz FAKYWRJRXXXMGX-AUWJEWJLSA-N 0 0 427.791 5.159 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000008821200 556222209 /nfs/dbraw/zinc/22/22/09/556222209.db2.gz YZQHVYNHDQQXBP-AUWJEWJLSA-N 0 0 427.791 5.159 40 30 IKEBRN CCCC/N=C1\S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)N1CCCC ZINC000008821670 556223311 /nfs/dbraw/zinc/22/33/11/556223311.db2.gz WYNTXVSRDXPBNC-NVZLDUMVSA-N 0 0 441.553 6.036 40 30 IKEBRN CCCC/N=C1\S/C(=C\c2ccccc2OCc2ccc(C)cc2)C(=O)N1CCCC ZINC000008821659 556223331 /nfs/dbraw/zinc/22/33/31/556223331.db2.gz IZKUGANWQBTSIT-DZNDYGJHSA-N 0 0 436.621 6.447 40 30 IKEBRN Cn1cc(/C=C2/S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)c2ccccc21 ZINC000008821713 556223645 /nfs/dbraw/zinc/22/36/45/556223645.db2.gz NIXAJSMBDLWKEZ-CAOOACKPSA-N 0 0 435.858 5.742 40 30 IKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Br)c1OC ZINC000009195371 556254484 /nfs/dbraw/zinc/25/44/84/556254484.db2.gz RYVVFDZZSOZHFM-ZVBGSRNCSA-N 0 0 432.145 5.287 40 30 IKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cccc(Cl)c1Cl ZINC000009196466 556254734 /nfs/dbraw/zinc/25/47/34/556254734.db2.gz SMKAQJQULUDTAH-KIBLKLHPSA-N 0 0 441.189 6.831 40 30 IKEBRN Clc1cccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)c1 ZINC000009197730 556255825 /nfs/dbraw/zinc/25/58/25/556255825.db2.gz CAEPKJBSPPDKAY-KKMKTNMSSA-N 0 0 442.777 6.774 40 30 IKEBRN Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1Cc1ccc(C#N)cc1 ZINC000009197833 556256253 /nfs/dbraw/zinc/25/62/53/556256253.db2.gz VJFYXUVZCCJAQU-IPPBACCNSA-N 0 0 447.369 6.300 40 30 IKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=NNc2ccc(I)cc2)o1 ZINC000009262029 556269268 /nfs/dbraw/zinc/26/92/68/556269268.db2.gz KSEISMKTKWDQQQ-RGVLZGJSSA-N 0 0 447.232 5.214 40 30 IKEBRN COc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)Nc1ccccc1 ZINC000009264191 556270483 /nfs/dbraw/zinc/27/04/83/556270483.db2.gz IMPPQCOCGDBYKU-SANMLTNESA-N 0 0 439.515 5.908 40 30 IKEBRN O=C1/C(=C\c2cccc(O)c2)S/C(=N\c2ccccc2)N1CCc1c[nH]c2ccccc12 ZINC000009324342 556282083 /nfs/dbraw/zinc/28/20/83/556282083.db2.gz QLBBFNNDICRPKB-DOGKOTLKSA-N 0 0 439.540 5.720 40 30 IKEBRN C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 ZINC000009363743 556285881 /nfs/dbraw/zinc/28/58/81/556285881.db2.gz BKFIBDWKIPCPQA-KLLNAIOJSA-N 0 0 441.597 5.755 40 30 IKEBRN N#Cc1c2nc3ccccc3n2c(N)c(C#N)c1-c1ccc(OCc2ccc(F)cc2)cc1 ZINC000059639119 556322501 /nfs/dbraw/zinc/32/25/01/556322501.db2.gz CJCHJSRBHXEGIQ-UHFFFAOYSA-N 0 0 433.446 5.198 40 30 IKEBRN CCOc1ccc(N=CC(=CNc2ccc(OCC)cc2)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000010059079 556323674 /nfs/dbraw/zinc/32/36/74/556323674.db2.gz FSEDIKOTDROGPS-RSYXTFCQSA-N 0 0 431.492 6.248 40 30 IKEBRN Cc1c(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc2n1C ZINC000408852906 556439346 /nfs/dbraw/zinc/43/93/46/556439346.db2.gz OICLOAQIMOWTNU-FUQOYWQNSA-N 0 0 437.568 6.291 40 30 IKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cc(Br)c(N3CCOCC3)o2)cc1 ZINC000408855849 556444978 /nfs/dbraw/zinc/44/49/78/556444978.db2.gz FVVLWYRXVMYWRV-UCQKPKSFSA-N 0 0 428.330 5.037 40 30 IKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2c3ccccc3cc3ccccc32)S1 ZINC000408856042 556445249 /nfs/dbraw/zinc/44/52/49/556445249.db2.gz HWGHRAJIXBEFIV-UCQKPKSFSA-N 0 0 428.944 6.846 40 30 IKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1[N+](=O)[O-] ZINC000408861066 556453374 /nfs/dbraw/zinc/45/33/74/556453374.db2.gz LZBKFSOBAJHIJF-GXIWEOKRSA-N 0 0 435.549 6.086 40 30 IKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N\c1ccccc1 ZINC000408861417 556454537 /nfs/dbraw/zinc/45/45/37/556454537.db2.gz ACHIYFXGYVAKER-JNTSEIQISA-N 0 0 445.382 6.225 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1cccc(C)c1 ZINC000408863934 556456418 /nfs/dbraw/zinc/45/64/18/556456418.db2.gz REEODDNBQDHPER-UCQKPKSFSA-N 0 0 448.519 5.613 40 30 IKEBRN Cc1c(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1C ZINC000408863436 556456721 /nfs/dbraw/zinc/45/67/21/556456721.db2.gz RTGAXBLSSKVTED-OVBYZCJRSA-N 0 0 443.616 6.669 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)S/C1=N\c1ccccc1 ZINC000408866625 556459798 /nfs/dbraw/zinc/45/97/98/556459798.db2.gz HLDDIBDFEFZNDB-QBTVOTGASA-N 0 0 449.620 6.453 40 30 IKEBRN COc1cc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1O ZINC000014945037 556459864 /nfs/dbraw/zinc/45/98/64/556459864.db2.gz JKLRFBUYGVZHII-UZTOHYMASA-N 0 0 448.522 5.907 40 30 IKEBRN COc1ccccc1[C@H]1c2c(ccc3ncccc32)NC2=C1C(=O)C[C@@H](c1ccccc1)C2 ZINC000014945042 556459895 /nfs/dbraw/zinc/45/98/95/556459895.db2.gz HTODOGDMKHAXPQ-VKGTZQKMSA-N 0 0 432.523 6.202 40 30 IKEBRN COc1cc([C@H]2c3c(ccc4ncccc43)NC3=C2C(=O)C[C@H](c2ccccc2)C3)ccc1O ZINC000014945031 556459952 /nfs/dbraw/zinc/45/99/52/556459952.db2.gz JKLRFBUYGVZHII-WINIVTDRSA-N 0 0 448.522 5.907 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(C)ccc2OC)NC1=O ZINC000408870896 556462106 /nfs/dbraw/zinc/46/21/06/556462106.db2.gz VAEMVNOBEPSDIF-HAHDFKILSA-N 0 0 428.513 5.060 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S1 ZINC000408874868 556465221 /nfs/dbraw/zinc/46/52/21/556465221.db2.gz DQHSWGPUOQZOFM-OYKKKHCWSA-N 0 0 445.588 5.920 40 30 IKEBRN CC(C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1 ZINC000408876907 556467188 /nfs/dbraw/zinc/46/71/88/556467188.db2.gz QYNUORSWDJEPNV-WOARFCOISA-N 0 0 438.568 6.550 40 30 IKEBRN Cc1c(C=NN2C(=S)N=NC2C)c2ccccc2n1Cc1ccc(Cl)c(Cl)c1 ZINC000408877997 556467802 /nfs/dbraw/zinc/46/78/02/556467802.db2.gz ZUISXZYYAQHXGX-AUEPDCJTSA-N 0 0 430.364 5.376 40 30 IKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccccc2OCC#N)S/C1=N\c1ccccc1 ZINC000408881187 556470662 /nfs/dbraw/zinc/47/06/62/556470662.db2.gz KEHGQGIJJVWENF-MHLZIDLISA-N 0 0 431.561 5.772 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccc(C)cc4)c3)S2)cc1 ZINC000408879093 556470665 /nfs/dbraw/zinc/47/06/65/556470665.db2.gz CLEVYDOOLGVMNV-HAHDFKILSA-N 0 0 430.529 5.474 40 30 IKEBRN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2c[nH]c3ccccc32)C2=C1CC(C)(C)CC2=O ZINC000408882698 556471647 /nfs/dbraw/zinc/47/16/47/556471647.db2.gz RVQOGDPTZWBNGZ-UHFFFAOYSA-N 0 0 446.591 5.500 40 30 IKEBRN Cc1ccc(C(=O)Oc2ccccc2/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000408885706 556474091 /nfs/dbraw/zinc/47/40/91/556474091.db2.gz FGDOJAJICJLTDR-STZFKDTASA-N 0 0 448.931 5.759 40 30 IKEBRN O=C1CCCC2=C1C(c1cn(Cc3cccc(F)c3)c3ccccc13)C1=C(CCCC1=O)O2 ZINC000408892174 556478270 /nfs/dbraw/zinc/47/82/70/556478270.db2.gz GXGSCKFTUDQTRB-UHFFFAOYSA-N 0 0 441.502 5.957 40 30 IKEBRN CCCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000408893011 556479048 /nfs/dbraw/zinc/47/90/48/556479048.db2.gz BGIRKCRATDJWCU-UHFFFAOYSA-N 0 0 441.999 6.102 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000408894862 556480132 /nfs/dbraw/zinc/48/01/32/556480132.db2.gz JLZIRSWWZPTOFC-JCMHNJIXSA-N 0 0 444.512 5.114 40 30 IKEBRN COc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OC(C)C ZINC000408894081 556480169 /nfs/dbraw/zinc/48/01/69/556480169.db2.gz DIUXQQCONAUMMG-UHFFFAOYSA-N 0 0 429.944 5.179 40 30 IKEBRN Cc1ccc(Cn2cc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)c3ccccc32)cc1 ZINC000408899331 556485863 /nfs/dbraw/zinc/48/58/63/556485863.db2.gz TWYJYFWEHJYIDW-UHFFFAOYSA-N 0 0 436.555 5.699 40 30 IKEBRN COCc1cc(C)nc(N=NCc2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)c1C#N ZINC000015018699 556487234 /nfs/dbraw/zinc/48/72/34/556487234.db2.gz UPYPNHOWHLAXOU-RAWMCFOBSA-N 0 0 442.350 5.568 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408902237 556488965 /nfs/dbraw/zinc/48/89/65/556488965.db2.gz MJMXSEBFYNXLBP-QGOAFFKASA-N 0 0 431.966 5.709 40 30 IKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccccc1 ZINC000408906464 556492239 /nfs/dbraw/zinc/49/22/39/556492239.db2.gz BQNOGRZBXVWSHP-RRFBTYMUSA-N 0 0 436.939 6.844 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408906356 556492264 /nfs/dbraw/zinc/49/22/64/556492264.db2.gz IPKVPARRUBAXNX-FTIPTLOASA-N 0 0 431.355 5.390 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)ccc1C ZINC000408906644 556492401 /nfs/dbraw/zinc/49/24/01/556492401.db2.gz CSJQFILECWUWQI-RNWNAKOZSA-N 0 0 428.557 6.369 40 30 IKEBRN COC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408906499 556492419 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556539825 /nfs/dbraw/zinc/53/98/25/556539825.db2.gz VNDRUXQCBKDZQX-VEILYXNESA-N 0 0 449.982 5.079 40 30 IKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408943931 556540810 /nfs/dbraw/zinc/54/08/10/556540810.db2.gz SSTSGKJPRNWSDI-BRGLFVENSA-N 0 0 438.571 7.061 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408943444 556540951 /nfs/dbraw/zinc/54/09/51/556540951.db2.gz SEZAGBIDIJUIIV-XOQBKMFYSA-N 0 0 448.566 6.593 40 30 IKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408945994 556546273 /nfs/dbraw/zinc/54/62/73/556546273.db2.gz XWATYTIRQAQUED-DDEBHVINSA-N 0 0 440.974 7.482 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCCC3)cc2)SC(=Nc2ccccc2)N1C[C@@H]1CCCO1 ZINC000408959707 556562562 /nfs/dbraw/zinc/56/25/62/556562562.db2.gz DOIHWKCCKXMBMI-CBQYSRAJSA-N 0 0 447.604 5.460 40 30 IKEBRN CCOc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2C)cc1 ZINC000408959596 556562648 /nfs/dbraw/zinc/56/26/48/556562648.db2.gz BRNPLXYQJBHBKX-CMEWOCMCSA-N 0 0 446.576 5.176 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(F)cc3)N(C)C2=O)c1C ZINC000408960102 556562873 /nfs/dbraw/zinc/56/28/73/556562873.db2.gz JMTXKUGMZHGCOR-KAJIUBQISA-N 0 0 447.579 6.338 40 30 IKEBRN COCCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccccc1 ZINC000408960209 556562916 /nfs/dbraw/zinc/56/29/16/556562916.db2.gz JQBRGSWQVABIAJ-OZJHTRJKSA-N 0 0 435.593 5.317 40 30 IKEBRN CN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc2ncccc2c1 ZINC000408961049 556563930 /nfs/dbraw/zinc/56/39/30/556563930.db2.gz QKEAQWMXUBXPDP-WNOHRPASSA-N 0 0 428.561 5.459 40 30 IKEBRN Cc1ccccc1-n1cccc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000408961300 556563969 /nfs/dbraw/zinc/56/39/69/556563969.db2.gz MJVZKJQBQIVMEN-LDADJPATSA-N 0 0 428.344 5.984 40 30 IKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccco2)C1=O ZINC000408961311 556564036 /nfs/dbraw/zinc/56/40/36/556564036.db2.gz RJBPONOKFCDIFH-SIFMURAYSA-N 0 0 443.572 5.992 40 30 IKEBRN CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000033567540 556565789 /nfs/dbraw/zinc/56/57/89/556565789.db2.gz YZJWRDYLXXFCKY-QFIPXVFZSA-N 0 0 444.487 5.039 40 30 IKEBRN CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccccc2[N+](=O)[O-])C2=C(N1)c1ccccc1C2=O ZINC000033567539 556565807 /nfs/dbraw/zinc/56/58/07/556565807.db2.gz YZJWRDYLXXFCKY-JOCHJYFZSA-N 0 0 444.487 5.039 40 30 IKEBRN COc1cc(Cl)c(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1OC ZINC000408962163 556566259 /nfs/dbraw/zinc/56/62/59/556566259.db2.gz QOSQYYRIHHFCHI-VIZOYTHASA-N 0 0 443.739 5.556 40 30 IKEBRN COc1ccc(NC(=O)c2c3c(sc2/N=C\c2sccc2C)CCC3)c(OC)c1 ZINC000015945880 556567056 /nfs/dbraw/zinc/56/70/56/556567056.db2.gz ODRMOBITXDUGII-FMCGGJTJSA-N 0 0 426.563 5.627 40 30 IKEBRN CC[C@H](C)n1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c2ccccc21 ZINC000408964508 556570877 /nfs/dbraw/zinc/57/08/77/556570877.db2.gz HKODFMAHNWAHLO-MDBUFAAASA-N 0 0 444.387 6.811 40 30 IKEBRN COc1cccc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1OC(C)C ZINC000408964977 556571787 /nfs/dbraw/zinc/57/17/87/556571787.db2.gz JIASAUBGGJHHOC-MHWRWJLKSA-N 0 0 437.348 5.681 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Cl)c(C(=O)OC)c3)c2C)c1 ZINC000408965412 556573027 /nfs/dbraw/zinc/57/30/27/556573027.db2.gz HBVXHQMCQPRJPX-VULFUBBASA-N 0 0 438.911 5.461 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Nc4ccccc4)cc3)c2C)c1 ZINC000408966385 556575478 /nfs/dbraw/zinc/57/54/78/556575478.db2.gz MKIZKSMCQNVLQO-VUTHCHCSSA-N 0 0 437.543 6.765 40 30 IKEBRN CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3CC)c2C)SC1=Nc1ccccc1 ZINC000408966964 556575653 /nfs/dbraw/zinc/57/56/53/556575653.db2.gz OHWXGPNPPLDKJV-SBEYKLCGSA-N 0 0 443.616 6.671 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccc(I)cc2)c1C ZINC000408966820 556575758 /nfs/dbraw/zinc/57/57/58/556575758.db2.gz NQRUQNUXMIBSCK-UCQKPKSFSA-N 0 0 428.317 6.012 40 30 IKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cn(Cc2ccccc2F)c2ccccc12 ZINC000408967722 556576461 /nfs/dbraw/zinc/57/64/61/556576461.db2.gz XEOAAYWTCYOMPT-YDZHTSKRSA-N 0 0 445.494 5.859 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(Cl)c1OCC ZINC000408967881 556576729 /nfs/dbraw/zinc/57/67/29/556576729.db2.gz XVFQKTRYILCEKH-LDADJPATSA-N 0 0 432.929 5.038 40 30 IKEBRN COc1cc(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1O ZINC000408966039 556577906 /nfs/dbraw/zinc/57/79/06/556577906.db2.gz MNAQATPBWFUMHG-AWNIVKPZSA-N 0 0 429.712 5.253 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(OC)cc3)NC2=O)c1C ZINC000408966195 556578843 /nfs/dbraw/zinc/57/88/43/556578843.db2.gz KJHWVTHOYTVMSX-HAHDFKILSA-N 0 0 431.561 5.557 40 30 IKEBRN Cc1ccc(/N=C(\c2ccccc2)[C@H]2SC(=N)N(c3ccccc3)[C@H]2c2ccccc2)cc1 ZINC000034868429 556584700 /nfs/dbraw/zinc/58/47/00/556584700.db2.gz BJWFNANIWVLDLW-XEBRLWDQSA-N 0 0 447.607 7.414 40 30 IKEBRN CC(C)Oc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000408970311 556587380 /nfs/dbraw/zinc/58/73/80/556587380.db2.gz FSZFBQRPGQYOOS-MTDXEUNCSA-N 0 0 446.616 7.197 40 30 IKEBRN Cc1c(C#N)c2nc3ccccc3n2c(=O)c1=CNc1ccc(Cl)c(C(=O)OC(C)C)c1 ZINC000016249467 556594639 /nfs/dbraw/zinc/59/46/39/556594639.db2.gz GEPNSGHKQYHWSZ-KKMKTNMSSA-N 0 0 446.894 5.342 40 30 IKEBRN Cc1cc(O)c(/C=N/c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1Cl ZINC000016267666 556595894 /nfs/dbraw/zinc/59/58/94/556595894.db2.gz VBRKPDMEBPLLHM-RWPZCVJISA-N 0 0 434.967 6.963 40 30 IKEBRN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=S)Nc1ccccc1 ZINC000016268172 556596023 /nfs/dbraw/zinc/59/60/23/556596023.db2.gz HFAPXJGJRKJOFS-IBGZPJMESA-N 0 0 426.372 6.766 40 30 IKEBRN Cc1cc(Br)cc(/C=N/c2cc(C(F)(F)F)ccc2N2CCOCC2)c1O ZINC000016269521 556596223 /nfs/dbraw/zinc/59/62/23/556596223.db2.gz GOJHBLLXNCJTNV-BHGWPJFGSA-N 0 0 443.263 5.069 40 30 IKEBRN Cc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000016269551 556596283 /nfs/dbraw/zinc/59/62/83/556596283.db2.gz ULYIUUFXPJWONH-BHGWPJFGSA-N 0 0 425.257 6.161 40 30 IKEBRN Cc1ccc(/N=C(\c2ccccc2)N(SC(Cl)(Cl)Cl)c2ccc(C)cc2)cc1 ZINC000016291579 556597905 /nfs/dbraw/zinc/59/79/05/556597905.db2.gz PULWFASZCSVMOK-YYADALCUSA-N 0 0 449.834 7.864 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000016291618 556597999 /nfs/dbraw/zinc/59/79/99/556597999.db2.gz CJVRVNXVLRVBKZ-YWROOUKNSA-N 0 0 429.501 6.020 40 30 IKEBRN Cc1nn(-c2ccc(C)cc2)c2c1C1=C(C(=O)CC(C)(C)C1)[C@H](c1ccc(N(C)C)cc1)N2 ZINC000016311719 556599790 /nfs/dbraw/zinc/59/97/90/556599790.db2.gz QHKFPKKWMKWFKA-SANMLTNESA-N 0 0 440.591 5.865 40 30 IKEBRN Cc1ccc(Cl)cc1-c1ccc(C=NNc2ccc(I)cc2)o1 ZINC000016347965 556601876 /nfs/dbraw/zinc/60/18/76/556601876.db2.gz OXHVQWOGMXZQLS-SRZZPIQSSA-N 0 0 436.680 5.959 40 30 IKEBRN O=C(NC(=O)c1c(F)cccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000016383681 556604105 /nfs/dbraw/zinc/60/41/05/556604105.db2.gz KHGIDRCIXMGVTA-UHFFFAOYSA-N 0 0 428.691 5.479 40 30 IKEBRN Clc1ccc(C=Nn2cnnc2N=NCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000016384868 556604278 /nfs/dbraw/zinc/60/42/78/556604278.db2.gz WQKKRKXVHIRELL-LOBYUAABSA-N 0 0 428.110 5.220 40 30 IKEBRN N#CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=NNc1ccc([N+](=O)[O-])cc1 ZINC000016427899 556606787 /nfs/dbraw/zinc/60/67/87/556606787.db2.gz SHEKNWDYCILSRO-JVWAILMASA-N 0 0 430.508 5.411 40 30 IKEBRN Fc1ccccc1/C=N/c1ccc(-c2nc3ccc(/N=C\c4ccccc4F)cc3o2)cc1 ZINC000016449081 556608985 /nfs/dbraw/zinc/60/89/85/556608985.db2.gz URKJXCIMINMBRJ-FWWKHMOUSA-N 0 0 437.449 7.274 40 30 IKEBRN Oc1ccc(Cc2ccccc2Cl)cc1/C=N/c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000016450184 556609196 /nfs/dbraw/zinc/60/91/96/556609196.db2.gz LCAANJPRZCNKCJ-STBIYBPSSA-N 0 0 448.349 7.833 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccc(Br)cc2)n1/N=C/C=C/c1ccccc1 ZINC000016450893 556609454 /nfs/dbraw/zinc/60/94/54/556609454.db2.gz VCBAMZWQGHSMAX-KCYFPNEXSA-N 0 0 430.305 5.373 40 30 IKEBRN c1ccc(CN=Nc2nnc(-c3ccccc3)c(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000016450998 556609546 /nfs/dbraw/zinc/60/95/46/556609546.db2.gz AJNCIWHBAOHXFQ-MWAVMZGNSA-N 0 0 426.523 6.924 40 30 IKEBRN O=C(Nc1ccc(/N=C/c2cc(Cl)ccc2O)cc1Br)c1ccccc1 ZINC000016476809 556610660 /nfs/dbraw/zinc/61/06/60/556610660.db2.gz HMPZXTRHNDTMJA-FSJBWODESA-N 0 0 429.701 5.811 40 30 IKEBRN O=C1Nc2ccccc2C1=NN=c1cc(-c2ccccc2)c2cc(Br)ccc2[nH]1 ZINC000016492737 556612584 /nfs/dbraw/zinc/61/25/84/556612584.db2.gz VIZRGESTSYNYQT-UHFFFAOYSA-N 0 0 443.304 5.433 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(C(C)C)cc1)c1ccc(C)cc1 ZINC000408974015 556613051 /nfs/dbraw/zinc/61/30/51/556613051.db2.gz UOEDHGMEQQQKQC-YTSBWPFGSA-N 0 0 425.576 5.886 40 30 IKEBRN CCCCCCc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(C(C)(C)C)cc3)cc2)cc1 ZINC000016638406 556619167 /nfs/dbraw/zinc/61/91/67/556619167.db2.gz OUYWDNKAPMQUET-DFKUXCBWSA-N 0 0 441.615 8.077 40 30 IKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/C=C/C=C/C=N/N3CCCCC3)cc2)cc1 ZINC000016638579 556619408 /nfs/dbraw/zinc/61/94/08/556619408.db2.gz YVUPLOJJQTYWCI-FGYDVNMJSA-N 0 0 446.591 6.516 40 30 IKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc(CC#N)cc3)cc2)cc1 ZINC000016638589 556619426 /nfs/dbraw/zinc/61/94/26/556619426.db2.gz BVWUGMAWNPGDFQ-ZTKZIYFRSA-N 0 0 426.516 6.291 40 30 IKEBRN CN(C)c1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000408975816 556620106 /nfs/dbraw/zinc/62/01/06/556620106.db2.gz NWNUJHYDABMHDC-STBIYBPSSA-N 0 0 425.919 6.955 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224372221 556621553 /nfs/dbraw/zinc/62/15/53/556621553.db2.gz YZZYOIYQNCFYEJ-UHFFFAOYSA-N 0 0 440.952 5.282 40 30 IKEBRN CCOc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccco3)cc2)c1O ZINC000016688209 556626010 /nfs/dbraw/zinc/62/60/10/556626010.db2.gz ZZKUTMCPZUBMEC-WSDLNYQXSA-N 0 0 429.270 5.149 40 30 IKEBRN CCOc1cc(Br)cc(/C=N/c2ccc(OC)c(Br)c2)c1O ZINC000016688203 556626028 /nfs/dbraw/zinc/62/60/28/556626028.db2.gz YMGYZGLOIYYNBA-DJKKODMXSA-N 0 0 429.108 5.075 40 30 IKEBRN CCOc1c(Br)cc(Br)cc1C=Nc1ccc(C(C)=O)cc1 ZINC000016688058 556626115 /nfs/dbraw/zinc/62/61/15/556626115.db2.gz UTIRKROWPSRCQL-KEBDBYFISA-N 0 0 425.120 5.564 40 30 IKEBRN C=CCN(Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224477503 556628646 /nfs/dbraw/zinc/62/86/46/556628646.db2.gz NEHFIGCVAQWSTM-UHFFFAOYSA-N 0 0 448.588 5.241 40 30 IKEBRN C=CCN(Cc1ccc(C(=O)Nc2c(C)cccc2CC)cc1)S(=O)(=O)c1ccccc1 ZINC000224472225 556628658 /nfs/dbraw/zinc/62/86/58/556628658.db2.gz NBXXLHBJPHLMEL-UHFFFAOYSA-N 0 0 448.588 5.187 40 30 IKEBRN C=CCN(Cc1ccc(C(=O)Nc2ccc(C)cc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224477059 556629038 /nfs/dbraw/zinc/62/90/38/556629038.db2.gz QWQFATBVWZPRGL-UHFFFAOYSA-N 0 0 448.588 5.241 40 30 IKEBRN C=CCN(Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224477350 556629260 /nfs/dbraw/zinc/62/92/60/556629260.db2.gz DDLHRZDQPWMUTK-UHFFFAOYSA-N 0 0 448.588 5.241 40 30 IKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c2ccccc12 ZINC000408977179 556630189 /nfs/dbraw/zinc/63/01/89/556630189.db2.gz HQHYEOOAPLYXTN-OGLMXYFKSA-N 0 0 426.585 7.770 40 30 IKEBRN C=CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl ZINC000224620802 556638582 /nfs/dbraw/zinc/63/85/82/556638582.db2.gz FIZGXXIVNNFFFQ-UHFFFAOYSA-N 0 0 441.163 5.690 40 30 IKEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000083316245 556663463 /nfs/dbraw/zinc/66/34/63/556663463.db2.gz GTTVBTMZHRGZEK-MSXFZWOLSA-N 0 0 446.290 5.935 40 30 IKEBRN COc1cc(/C=C2/S/C(=N/c3ccc(C)c(C)c3)NC2=O)ccc1OCc1ccccc1 ZINC000083318322 556663793 /nfs/dbraw/zinc/66/37/93/556663793.db2.gz ZBQZNXFQXPPZIZ-BUVRLJJBSA-N 0 0 444.556 5.783 40 30 IKEBRN C=CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(F)cc1 ZINC000224916999 556664397 /nfs/dbraw/zinc/66/43/97/556664397.db2.gz XYWUGBVCPRLQTA-UHFFFAOYSA-N 0 0 425.569 5.675 40 30 IKEBRN O=C1/C(=C\c2ccc(Br)s2)S/C(=N/c2ccccc2)N1C1CCCCC1 ZINC000408983547 556666814 /nfs/dbraw/zinc/66/68/14/556666814.db2.gz LHTDYCRLIYYJOD-UGFLLLHASA-N 0 0 447.423 6.447 40 30 IKEBRN CCO/C(=N\c1ccc(F)cc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000017139517 556669390 /nfs/dbraw/zinc/66/93/90/556669390.db2.gz MZKZHUWRLRTRIV-KDJFERLWSA-N 0 0 441.571 7.575 40 30 IKEBRN c1ccc(N=C2C=C(Nc3ccccc3)C(Nc3ccccc3)=CC2=Nc2ccccc2)cc1 ZINC000017156389 556670471 /nfs/dbraw/zinc/67/04/71/556670471.db2.gz IDDYUZBZSSUAGK-XNTLNLDKSA-N 0 0 440.550 7.537 40 30 IKEBRN Cc1ccc(C(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cccc3ccccc32)cc1 ZINC000017162126 556670719 /nfs/dbraw/zinc/67/07/19/556670719.db2.gz KVBAGGPRRSFBOP-LCUIJRPUSA-N 0 0 426.432 5.829 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C\C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1 ZINC000017251066 556674190 /nfs/dbraw/zinc/67/41/90/556674190.db2.gz IQWDOFYXFDSDPM-USHMODERSA-N 0 0 438.552 5.274 40 30 IKEBRN Clc1ccccc1/C=N/c1ccc2c(c1)Cc1cccc(/N=C\c3ccccc3Cl)c1-2 ZINC000017325289 556675634 /nfs/dbraw/zinc/67/56/34/556675634.db2.gz IFDIJGNHMUAIRO-FWWKHMOUSA-N 0 0 441.361 8.066 40 30 IKEBRN Clc1ccc(/C(=N\c2ccccc2)[C@@H](Nc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000017352829 556676147 /nfs/dbraw/zinc/67/61/47/556676147.db2.gz UWSHCXPHJCVWGB-COLUNPBLSA-N 0 0 431.366 7.968 40 30 IKEBRN C=CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225062612 556677052 /nfs/dbraw/zinc/67/70/52/556677052.db2.gz SIUJAHFAFRSWAU-UHFFFAOYSA-N 0 0 436.758 5.637 40 30 IKEBRN COc1ccccc1NC(=S)NN=CC1=CC(=NNc2ccccc2)C=C(OC)C1=O ZINC000017857714 556679843 /nfs/dbraw/zinc/67/98/43/556679843.db2.gz PKAMBVZMTDOTKZ-JWLCOBFGSA-N 0 0 435.509 5.145 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C)c(C)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408758815 556681553 /nfs/dbraw/zinc/68/15/53/556681553.db2.gz RRKGQCCTSXFKGE-XKZIYDEJSA-N 0 0 447.516 5.926 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c(OC)c1C ZINC000018030870 556681976 /nfs/dbraw/zinc/68/19/76/556681976.db2.gz KIKJYSRQNGNJJM-MDIFQPDJSA-N 0 0 434.517 5.409 40 30 IKEBRN C=CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)Cc3ccccc3C2)c2ccccc12 ZINC000225933855 556683000 /nfs/dbraw/zinc/68/30/00/556683000.db2.gz JLVCCVUZJXAEGJ-UHFFFAOYSA-N 0 0 433.551 6.388 40 30 IKEBRN C=CCC(C(=O)Nc1ccc(OC(C)C)c2ccccc12)(c1ccccc1)c1ccccc1 ZINC000225935810 556683086 /nfs/dbraw/zinc/68/30/86/556683086.db2.gz NKOJJHNAZVYNMX-UHFFFAOYSA-N 0 0 435.567 7.128 40 30 IKEBRN Cc1ccc(/N=C(\C(=O)c2ccccc2)[C@H](Nc2ccc(C)cc2)C(=O)c2ccccc2)cc1 ZINC000018081291 556683251 /nfs/dbraw/zinc/68/32/51/556683251.db2.gz MVHBIQWZFZKONM-FZSBGTLUSA-N 0 0 446.550 6.622 40 30 IKEBRN C=CCOc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1 ZINC000225936048 556683390 /nfs/dbraw/zinc/68/33/90/556683390.db2.gz ZJWRXSHHGRISMJ-UHFFFAOYSA-N 0 0 433.551 6.419 40 30 IKEBRN C=CCC(C(=O)Nc1ccc(OCC(=O)OCC)cc1)(c1ccccc1)c1ccccc1 ZINC000225935521 556683418 /nfs/dbraw/zinc/68/34/18/556683418.db2.gz JSUQFCBABGUXOT-UHFFFAOYSA-N 0 0 429.516 5.129 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)S2)cc1 ZINC000408760246 556687228 /nfs/dbraw/zinc/68/72/28/556687228.db2.gz VJIWGEZRGFMQTP-WQRHYEAKSA-N 0 0 445.327 6.154 40 30 IKEBRN N#CC1(C#N)C(C#N)(C#N)[C@@]2(c3ccccc3)O[C@]1(c1ccccc1)c1cc3ccccc3cc12 ZINC000018284968 556689034 /nfs/dbraw/zinc/68/90/34/556689034.db2.gz QJJKHZQOOVMKJU-RNPORBBMSA-N 0 0 448.485 5.438 40 30 IKEBRN O=[N+]([O-])c1ccc2c(ccc(O)c2/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)c1 ZINC000000793521 556695471 /nfs/dbraw/zinc/69/54/71/556695471.db2.gz YKMRHKROJKTGSX-LGJNPRDNSA-N 0 0 427.391 6.152 40 30 IKEBRN CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N=C(SCc2ccccc2C#N)N1 ZINC000408992164 556708951 /nfs/dbraw/zinc/70/89/51/556708951.db2.gz SDZLNEXKLFTQHQ-DEOSSOPVSA-N 0 0 438.556 5.405 40 30 IKEBRN CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N=C(SCc2ccccc2C#N)N1 ZINC000408992165 556708980 /nfs/dbraw/zinc/70/89/80/556708980.db2.gz SDZLNEXKLFTQHQ-XMMPIXPASA-N 0 0 438.556 5.405 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccccc3)NC2=O)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409001724 556711334 /nfs/dbraw/zinc/71/13/34/556711334.db2.gz QWTKLODKOZKYOK-UDWIEESQSA-N 0 0 441.478 6.005 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OCC ZINC000409005980 556713253 /nfs/dbraw/zinc/71/32/53/556713253.db2.gz HVLFJRINUQTGHO-HKWRFOASSA-N 0 0 443.952 5.583 40 30 IKEBRN CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)SC1=S ZINC000409006814 556713798 /nfs/dbraw/zinc/71/37/98/556713798.db2.gz LXYFYVOVLZYONX-ZDLGFXPLSA-N 0 0 444.965 5.020 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c(C)c1 ZINC000409008656 556714018 /nfs/dbraw/zinc/71/40/18/556714018.db2.gz ZIOFAFRMRDJPJR-KGENOOAVSA-N 0 0 436.621 6.496 40 30 IKEBRN CCN1C(=O)/C(=C/c2cccs2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409008858 556714177 /nfs/dbraw/zinc/71/41/77/556714177.db2.gz NFPZFCUIAQMMNT-MXOJYHIHSA-N 0 0 427.776 5.788 40 30 IKEBRN C=CCOc1cc(Br)c(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OCC ZINC000409010442 556714833 /nfs/dbraw/zinc/71/48/33/556714833.db2.gz KNCSLMLPLDKARK-VAKHEIKFSA-N 0 0 440.359 5.247 40 30 IKEBRN CCCCOc1ccc2ccccc2c1/C=N\NS(=O)(=O)c1ccc2ccccc2c1 ZINC000409012887 556715877 /nfs/dbraw/zinc/71/58/77/556715877.db2.gz LIPGLASLACRIIE-ITYLOYPMSA-N 0 0 432.545 5.484 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(CC)C2=O)cc1Cl ZINC000409013123 556716380 /nfs/dbraw/zinc/71/63/80/556716380.db2.gz SUYVZEYOFOSYTF-XNJRNFBTSA-N 0 0 449.403 6.795 40 30 IKEBRN Cc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409014507 556716960 /nfs/dbraw/zinc/71/69/60/556716960.db2.gz PXDRXWLVHOEDTL-FYJGNVAPSA-N 0 0 442.544 5.003 40 30 IKEBRN CC(C)COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000409016459 556719645 /nfs/dbraw/zinc/71/96/45/556719645.db2.gz JBUDKQWDCLTAQV-STBIYBPSSA-N 0 0 446.616 6.342 40 30 IKEBRN Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(-c4ccc(C#N)cc4)o3)C2=O)cc1 ZINC000409016166 556719947 /nfs/dbraw/zinc/71/99/47/556719947.db2.gz DKDBMVBLPPJPIP-HMAPJEAMSA-N 0 0 430.485 5.242 40 30 IKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1Cl ZINC000409016908 556720241 /nfs/dbraw/zinc/72/02/41/556720241.db2.gz BEVCVJSPSYJJQC-JFLMPSFJSA-N 0 0 438.980 5.970 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc1Cl ZINC000409019636 556721835 /nfs/dbraw/zinc/72/18/35/556721835.db2.gz KAXNFZNKUDNRSL-NVOINBBWSA-N 0 0 444.984 5.768 40 30 IKEBRN O=C1/C(=C/c2cccn2-c2ccc(O)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000409019373 556722185 /nfs/dbraw/zinc/72/21/85/556722185.db2.gz RKOPVIFOWSNIPW-DZNDYGJHSA-N 0 0 437.524 5.992 40 30 IKEBRN CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1ccccc1C#N ZINC000409020052 556722729 /nfs/dbraw/zinc/72/27/29/556722729.db2.gz LQSWOJJOBGNCKL-QLPFJNHISA-N 0 0 436.533 5.371 40 30 IKEBRN N#Cc1ccc(-c2ccc(/C=C3\SC(=Nc4cccc(Cl)c4Cl)NC3=O)o2)cc1 ZINC000409021935 556723979 /nfs/dbraw/zinc/72/39/79/556723979.db2.gz GFBZFPJITOWASO-ZDLGFXPLSA-N 0 0 440.311 6.017 40 30 IKEBRN FC(F)(F)COc1ccc2ccccc2c1/C=N\NC(F)(F)C(F)(F)C(F)(F)F ZINC000409035181 556744413 /nfs/dbraw/zinc/74/44/13/556744413.db2.gz OXCJCVCTYVEONX-FEDGQQDLSA-N 0 0 436.249 5.495 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccc(OCc2cccc(Cl)c2)cc1 ZINC000409035477 556744977 /nfs/dbraw/zinc/74/49/77/556744977.db2.gz JXTMTSBWEVWFNA-JQAMDZJQSA-N 0 0 428.735 5.633 40 30 IKEBRN Cc1c(CN=Nc2c(F)c(F)c(F)c(F)c2F)c2cc(C)ccc2n1Cc1ccccc1 ZINC000409041783 556749693 /nfs/dbraw/zinc/74/96/93/556749693.db2.gz VPQHIKHAWLYNIX-OHUIHDMLSA-N 0 0 443.419 6.448 40 30 IKEBRN CCc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1COc1ccc(NC(C)=O)cc1 ZINC000001085650 556750215 /nfs/dbraw/zinc/75/02/15/556750215.db2.gz DZXLCUUIFKYDIB-WGOQTCKBSA-N 0 0 446.576 5.107 40 30 IKEBRN COc1ccc([C@@H](CC(=O)c2ccccc2)[C@H](C#N)c2ccc(Br)cc2)cc1 ZINC000001084379 556750223 /nfs/dbraw/zinc/75/02/23/556750223.db2.gz HPQCQYKQZYRGAA-DHIUTWEWSA-N 0 0 434.333 6.122 40 30 IKEBRN COc1ccc([C@H](CC(=O)c2ccccc2)[C@@H](C#N)c2ccc(Br)cc2)cc1 ZINC000001084378 556750268 /nfs/dbraw/zinc/75/02/68/556750268.db2.gz HPQCQYKQZYRGAA-GOTSBHOMSA-N 0 0 434.333 6.122 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)C1=O ZINC000409040670 556750604 /nfs/dbraw/zinc/75/06/04/556750604.db2.gz HLQYCWFQXUTFDF-XDHOZWIPSA-N 0 0 445.899 5.126 40 30 IKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1ccc([N+](=O)[O-])cc1 ZINC000409048869 556753677 /nfs/dbraw/zinc/75/36/77/556753677.db2.gz UIIMXIPYEOCUQY-GIJQJNRQSA-N 0 0 428.080 5.269 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)C1=O ZINC000409044462 556755156 /nfs/dbraw/zinc/75/51/56/556755156.db2.gz CNHUWJPTALZPJC-DEDYPNTBSA-N 0 0 441.936 5.296 40 30 IKEBRN CN(CCC#N)c1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000019418584 556755416 /nfs/dbraw/zinc/75/54/16/556755416.db2.gz FPQKXCOKXWWYBU-UHFFFAOYSA-N 0 0 431.580 5.010 40 30 IKEBRN CC(C)COc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2 ZINC000409046106 556755619 /nfs/dbraw/zinc/75/56/19/556755619.db2.gz IOJMFSUVKUDFSC-UHFFFAOYSA-N 0 0 435.347 6.156 40 30 IKEBRN N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O ZINC000409058176 556755951 /nfs/dbraw/zinc/75/59/51/556755951.db2.gz IVSGRGBAQVQDSC-XKZIYDEJSA-N 0 0 446.915 6.032 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000409051258 556756539 /nfs/dbraw/zinc/75/65/39/556756539.db2.gz BECABJFWJZDNPU-UNOMPAQXSA-N 0 0 445.993 5.623 40 30 IKEBRN O=C1C(Cl)=C(Nc2ccc(Cl)cc2)C(=O)C(Cl)=C1Nc1ccc(Cl)cc1 ZINC000001575714 556757402 /nfs/dbraw/zinc/75/74/02/556757402.db2.gz FLNHWDJABIAAFK-UHFFFAOYSA-N 0 0 428.102 5.570 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1OC ZINC000409052147 556757661 /nfs/dbraw/zinc/75/76/61/556757661.db2.gz GFGQPJYZUJNDIN-UNOMPAQXSA-N 0 0 443.977 5.070 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1OCC ZINC000409054255 556757951 /nfs/dbraw/zinc/75/79/51/556757951.db2.gz IMIZAWUIVJJSJB-UYRXBGFRSA-N 0 0 445.924 5.553 40 30 IKEBRN CCCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl ZINC000409055375 556758537 /nfs/dbraw/zinc/75/85/37/556758537.db2.gz IECBBIGNHPULOO-UHFFFAOYSA-N 0 0 434.363 5.825 40 30 IKEBRN Oc1cc2ccccc2cc1-c1nc2cc(/N=C/c3ccc(Cl)cc3Cl)ccc2o1 ZINC000003116168 556759021 /nfs/dbraw/zinc/75/90/21/556759021.db2.gz TTWPWVYKTVYBES-UVHMKAGCSA-N 0 0 433.294 7.411 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)ccc1N1CCCC1 ZINC000409061240 556759469 /nfs/dbraw/zinc/75/94/69/556759469.db2.gz CCWRZVFFNWRQFL-MTDXEUNCSA-N 0 0 449.664 6.349 40 30 IKEBRN C#CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Br ZINC000409062658 556759677 /nfs/dbraw/zinc/75/96/77/556759677.db2.gz YMKAFHVHXKCGRI-BOPFTXTBSA-N 0 0 448.725 5.355 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)S2)c1 ZINC000409063338 556759719 /nfs/dbraw/zinc/75/97/19/556759719.db2.gz AAKDNCTXKOFNCL-STZFKDTASA-N 0 0 436.989 6.691 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(N2CCCC2)c(F)c1 ZINC000409064427 556760458 /nfs/dbraw/zinc/76/04/58/556760458.db2.gz DJKKRFDIXXUIBL-ZDLGFXPLSA-N 0 0 436.339 5.624 40 30 IKEBRN CCOc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1 ZINC000001029493 556762612 /nfs/dbraw/zinc/76/26/12/556762612.db2.gz INMBJBTYRUWKEK-GMQQYTKMSA-N 0 0 445.522 5.370 40 30 IKEBRN Cc1sc(N=NC(C)c2ccc(OCc3ccc(Cl)cc3)cc2)nc1-c1ccccc1 ZINC000409059671 556764568 /nfs/dbraw/zinc/76/45/68/556764568.db2.gz WOAUYYYDGPVSEA-OGLMXYFKSA-N 0 0 447.991 7.187 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)SC1=Nc1ccccc1 ZINC000409066630 556769472 /nfs/dbraw/zinc/76/94/72/556769472.db2.gz NPWXTTRLNSYTRL-LXDPFISSSA-N 0 0 439.556 5.066 40 30 IKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 ZINC000409068827 556774075 /nfs/dbraw/zinc/77/40/75/556774075.db2.gz IXIYRAGEFMNUIZ-ZMOGYAJESA-N 0 0 426.860 5.067 40 30 IKEBRN O=[N+]([O-])c1cccc(-c2csc(N=NCc3cccc(OCc4ccc(F)cc4)c3)n2)c1 ZINC000409070193 556774356 /nfs/dbraw/zinc/77/43/56/556774356.db2.gz XXFPNOKEQJGWFO-DHRITJCHSA-N 0 0 448.479 5.882 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2sc3c(c2C#N)CCCC3)cc1OCC ZINC000409070865 556774602 /nfs/dbraw/zinc/77/46/02/556774602.db2.gz NLLCHZSAKQQSDO-ZMOGYAJESA-N 0 0 447.398 6.199 40 30 IKEBRN C=CCOc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1OCC ZINC000409073658 556776099 /nfs/dbraw/zinc/77/60/99/556776099.db2.gz HOEIYIOKOZNDIC-YSURURNPSA-N 0 0 444.251 5.272 40 30 IKEBRN O=[N+]([O-])c1ccc(COc2ccc3ccccc3c2CN=Nc2ncccc2[N+](=O)[O-])cc1 ZINC000409075503 556776598 /nfs/dbraw/zinc/77/65/98/556776598.db2.gz WLMPVPUUZRYKDT-AFUMVMLFSA-N 0 0 443.419 5.076 40 30 IKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Br)c1OCC ZINC000409075492 556776704 /nfs/dbraw/zinc/77/67/04/556776704.db2.gz WHLORNTXAGBFIB-NUGSKGIGSA-N 0 0 432.240 5.106 40 30 IKEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1Cl ZINC000409075302 556776745 /nfs/dbraw/zinc/77/67/45/556776745.db2.gz QODZAJDTIYADGO-BHGWPJFGSA-N 0 0 447.278 5.330 40 30 IKEBRN Fc1ccc(COc2cccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)c2)cc1 ZINC000409069413 556777273 /nfs/dbraw/zinc/77/72/73/556777273.db2.gz XPDPRVFJONJZIG-AJBULDERSA-N 0 0 447.513 7.008 40 30 IKEBRN Cc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cc1[N+](=O)[O-] ZINC000409077586 556777773 /nfs/dbraw/zinc/77/77/73/556777773.db2.gz GBJJJMXIYBSDFG-HDFIIFABSA-N 0 0 447.560 6.998 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1OC ZINC000409078035 556778617 /nfs/dbraw/zinc/77/86/17/556778617.db2.gz HCROEQRHPFWTDJ-IAUUDGPGSA-N 0 0 444.984 6.007 40 30 IKEBRN CCCN1C(=O)/C(=C/c2cc(OC)c(O)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409078291 556779103 /nfs/dbraw/zinc/77/91/03/556779103.db2.gz BMNZUTNRDULQCG-LMCHCYRTSA-N 0 0 432.929 5.077 40 30 IKEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409076562 556780095 /nfs/dbraw/zinc/78/00/95/556780095.db2.gz ANMHWTBQPDPXEP-BKUYFWCQSA-N 0 0 447.918 5.971 40 30 IKEBRN COc1cc(C=NNc2ccccc2)c(Br)cc1OCc1ccccc1F ZINC000409076816 556780598 /nfs/dbraw/zinc/78/05/98/556780598.db2.gz CJYXXSJHVAVKOX-CFRMEGHHSA-N 0 0 429.289 5.622 40 30 IKEBRN CCOc1c(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cccc1OC ZINC000409077333 556781852 /nfs/dbraw/zinc/78/18/52/556781852.db2.gz DSCOTMHKNNEQPM-WGARJPEWSA-N 0 0 438.549 5.308 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409078505 556785659 /nfs/dbraw/zinc/78/56/59/556785659.db2.gz IKUXOSMKJDNQEU-HRJIBFCWSA-N 0 0 426.585 6.687 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc(OCC)c(OCC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409080843 556786359 /nfs/dbraw/zinc/78/63/59/556786359.db2.gz NZJRGDBOKJJFPJ-VLYZUMCXSA-N 0 0 444.984 6.151 40 30 IKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(OC)c1OCc1ccccc1F ZINC000409081438 556787762 /nfs/dbraw/zinc/78/77/62/556787762.db2.gz OFEFMWULTYDASE-JCMHNJIXSA-N 0 0 443.474 5.486 40 30 IKEBRN COc1ccc2cc3c(nc2c1)S/C(=N/Cc1ccco1)N(Cc1ccc(C)cc1)C3 ZINC000001360894 556787804 /nfs/dbraw/zinc/78/78/04/556787804.db2.gz MLYWSHPYVAUXKE-OCEACIFDSA-N 0 0 429.545 5.809 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1 ZINC000409080283 556789106 /nfs/dbraw/zinc/78/91/06/556789106.db2.gz MRKCJUALXYJAEI-WYMPLXKRSA-N 0 0 431.326 6.065 40 30 IKEBRN C=CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CCC)C2=O)cc1Cl ZINC000409082574 556789755 /nfs/dbraw/zinc/78/97/55/556789755.db2.gz MMVRVYOPYPPAPX-SOMGSRHFSA-N 0 0 447.387 6.572 40 30 IKEBRN Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409082563 556789758 /nfs/dbraw/zinc/78/97/58/556789758.db2.gz MMRLZRWOHKDEDF-IQORJPDUSA-N 0 0 434.605 6.481 40 30 IKEBRN COc1cc2c(cc1/C=C1\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C1=O)OCO2 ZINC000409082483 556789770 /nfs/dbraw/zinc/78/97/70/556789770.db2.gz SRGBPGHRVGCKRX-CIHNJMORSA-N 0 0 444.940 5.337 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)sc2C1 ZINC000409084522 556790091 /nfs/dbraw/zinc/79/00/91/556790091.db2.gz MGGRXIDZBMSUFE-KSXCTLEASA-N 0 0 432.549 6.220 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3c(OCC#N)ccc4ccccc43)sc2C1 ZINC000409083906 556790291 /nfs/dbraw/zinc/79/02/91/556790291.db2.gz WLNAQURZTNQAIX-IUUQDGFPSA-N 0 0 427.573 6.577 40 30 IKEBRN CCn1c2ccccc2c2cc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)ccc21 ZINC000409084110 556790329 /nfs/dbraw/zinc/79/03/29/556790329.db2.gz WNDJGTBTVFWPNS-ZXAKHJNPSA-N 0 0 439.628 7.649 40 30 IKEBRN Cc1ccc(COc2ccc(/C=C3\C(=O)ON=C3c3ccccc3)cc2Br)cc1 ZINC000409083830 556790352 /nfs/dbraw/zinc/79/03/52/556790352.db2.gz WCFORPBNKVSIHB-MOSHPQCFSA-N 0 0 448.316 5.681 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cc1 ZINC000409086345 556790739 /nfs/dbraw/zinc/79/07/39/556790739.db2.gz VGKDUVXWSVRYJA-JEWIKEISSA-N 0 0 434.630 7.574 40 30 IKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(C)cc1 ZINC000409086839 556790928 /nfs/dbraw/zinc/79/09/28/556790928.db2.gz HGGSBGICKKUYJC-XODNFHPESA-N 0 0 429.442 5.833 40 30 IKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(F)cc1 ZINC000409086992 556791069 /nfs/dbraw/zinc/79/10/69/556791069.db2.gz IGAAGSFDTDUBGW-BRJLIKDPSA-N 0 0 444.850 5.206 40 30 IKEBRN CC(C)CN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409088170 556791469 /nfs/dbraw/zinc/79/14/69/556791469.db2.gz FCJVDGQBTBBKSQ-BLAKXTKQSA-N 0 0 449.801 6.363 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cc(Cl)ccc1Cl ZINC000409090039 556791892 /nfs/dbraw/zinc/79/18/92/556791892.db2.gz PYNNOKANGCJRKV-JQAMDZJQSA-N 0 0 427.257 6.261 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N/c1ccc(Cl)cc1 ZINC000409091178 556792208 /nfs/dbraw/zinc/79/22/08/556792208.db2.gz QBHFXMFFPHFGSY-PXRDWJKMSA-N 0 0 425.768 6.661 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)S/C1=N/c1ccc(Cl)cc1 ZINC000409091669 556792486 /nfs/dbraw/zinc/79/24/86/556792486.db2.gz RIJPSLXJOVDYJX-SGXAETBLSA-N 0 0 440.012 6.263 40 30 IKEBRN Cc1cccc(COc2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)c1 ZINC000409091754 556792553 /nfs/dbraw/zinc/79/25/53/556792553.db2.gz UEYHIITWJOGCIM-LGJNPRDNSA-N 0 0 429.398 5.947 40 30 IKEBRN O=[N+]([O-])c1cccc(Cn2cc(CN=Nc3ccc(C(F)(F)F)cn3)c3ccccc32)c1 ZINC000409094088 556794032 /nfs/dbraw/zinc/79/40/32/556794032.db2.gz CSELZCRJRPBQTM-LUOAPIJWSA-N 0 0 439.397 5.458 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409096545 556794809 /nfs/dbraw/zinc/79/48/09/556794809.db2.gz KLYACAHTXUJZEJ-BPDROILWSA-N 0 0 445.825 5.899 40 30 IKEBRN Cc1ccc(COc2ccc3ccccc3c2CN=Nc2ccc(C(F)(F)F)cn2)cc1 ZINC000409098576 556795525 /nfs/dbraw/zinc/79/55/25/556795525.db2.gz QSCACOFTNGSSSL-FJEPWZHXSA-N 0 0 435.449 6.587 40 30 IKEBRN CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409099449 556795584 /nfs/dbraw/zinc/79/55/84/556795584.db2.gz NOARMWROGCVZIW-RQZCQDPDSA-N 0 0 433.316 5.500 40 30 IKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000409102188 556795821 /nfs/dbraw/zinc/79/58/21/556795821.db2.gz DBGOUXHGFHNCJS-WPWMEQJKSA-N 0 0 436.939 6.500 40 30 IKEBRN O=[N+]([O-])c1cccnc1N=NCc1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000409103162 556796079 /nfs/dbraw/zinc/79/60/79/556796079.db2.gz BFDLBWFSFNRBCB-VULFUBBASA-N 0 0 432.867 5.821 40 30 IKEBRN COc1cccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2C)c1 ZINC000409099919 556796395 /nfs/dbraw/zinc/79/63/95/556796395.db2.gz ROIWCQUTQAGNBI-ROTLSHHCSA-N 0 0 432.402 5.476 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409099715 556796399 /nfs/dbraw/zinc/79/63/99/556796399.db2.gz SYFJBVWOCLAFSG-VCHYOVAHSA-N 0 0 445.327 5.666 40 30 IKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000409105371 556798328 /nfs/dbraw/zinc/79/83/28/556798328.db2.gz NBYFNBLKPDWVII-AUEPDCJTSA-N 0 0 434.330 5.536 40 30 IKEBRN C=CCOc1c(Br)cc(/C=C2/c3ccccc3N(CCC)C2=O)cc1OCC ZINC000409109324 556799513 /nfs/dbraw/zinc/79/95/13/556799513.db2.gz BRLAEGLTTXBXSG-AQTBWJFISA-N 0 0 442.353 5.710 40 30 IKEBRN O=C(NCc1ccccc1)c1c(N=C2C(=O)Nc3ccc(Cl)cc32)sc2c1CCCC2 ZINC000409109850 556800003 /nfs/dbraw/zinc/80/00/03/556800003.db2.gz MSECCZCFZFFTJV-UHFFFAOYSA-N 0 0 449.963 5.283 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CCC(=O)[C@@]5(C)CC[C@@H]43)C2)cc1 ZINC000002557141 556800024 /nfs/dbraw/zinc/80/00/24/556800024.db2.gz HNTMKSKJRZRWKS-METIKLJUSA-N 0 0 444.637 5.681 40 30 IKEBRN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N/c2sc3c(c2C#N)CCCC3)cc1 ZINC000409109814 556800090 /nfs/dbraw/zinc/80/00/90/556800090.db2.gz LYNKQQFFSXFLGC-AFUMVMLFSA-N 0 0 433.558 6.617 40 30 IKEBRN Cc1cc(C)nc(Sc2ccc(/C=N\c3cccc(Br)c3)cc2[N+](=O)[O-])n1 ZINC000409111365 556801769 /nfs/dbraw/zinc/80/17/69/556801769.db2.gz ACZXQIUGBGAMFC-NHDPSOOVSA-N 0 0 443.326 5.666 40 30 IKEBRN O=C(Nc1ccccc1)c1c2c(sc1N=C1C(=O)Nc3ccc(Cl)cc31)CCCC2 ZINC000409113995 556804183 /nfs/dbraw/zinc/80/41/83/556804183.db2.gz PEALRPJJGJOAFS-UHFFFAOYSA-N 0 0 435.936 5.606 40 30 IKEBRN C=CCc1cc(CNc2ccccc2CC)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409114645 556805231 /nfs/dbraw/zinc/80/52/31/556805231.db2.gz IUBODGVYDDYNAJ-UHFFFAOYSA-N 0 0 435.995 7.221 40 30 IKEBRN O=C(Oc1ccc2ccccc2c1/C=N/NCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000003213882 556805203 /nfs/dbraw/zinc/80/52/03/556805203.db2.gz ARYSPAPGSKJPMR-WPWMEQJKSA-N 0 0 425.444 5.091 40 30 IKEBRN CCn1c2ccccc2c2cc(/C=N/n3c(C)nc4sc5c(c4c3=O)CCCC5)ccc21 ZINC000003218854 556805388 /nfs/dbraw/zinc/80/53/88/556805388.db2.gz PGMGAXSKEXSUDP-JFLMPSFJSA-N 0 0 440.572 5.655 40 30 IKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1cccc(F)c1 ZINC000409115708 556807263 /nfs/dbraw/zinc/80/72/63/556807263.db2.gz NSNOTKDWIHAEIE-UHFFFAOYSA-N 0 0 425.931 6.716 40 30 IKEBRN FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C/c2cccc(Oc3ccccc3)c2)c1 ZINC000003279874 556808109 /nfs/dbraw/zinc/80/81/09/556808109.db2.gz ZWNYYDSWXIQNDG-LGJNPRDNSA-N 0 0 449.885 6.472 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccc(CC)cc1 ZINC000409117735 556809888 /nfs/dbraw/zinc/80/98/88/556809888.db2.gz MLXVULCSGHHBTE-UHFFFAOYSA-N 0 0 425.164 5.951 40 30 IKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409117540 556809929 /nfs/dbraw/zinc/80/99/29/556809929.db2.gz OIVWPEPFCOGZRM-UHFFFAOYSA-N 0 0 448.519 5.922 40 30 IKEBRN C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409118946 556811956 /nfs/dbraw/zinc/81/19/56/556811956.db2.gz VIELRXAUAUWMMB-UHFFFAOYSA-N 0 0 448.519 5.922 40 30 IKEBRN C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1ccccc1Cl ZINC000409119624 556813695 /nfs/dbraw/zinc/81/36/95/556813695.db2.gz PUMACWQFGTXGIY-UHFFFAOYSA-N 0 0 437.967 6.667 40 30 IKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409120323 556814110 /nfs/dbraw/zinc/81/41/10/556814110.db2.gz TWSWVEXYXRTSCS-UHFFFAOYSA-N 0 0 437.561 5.502 40 30 IKEBRN C=CCOc1c(I)cc(CNc2ccc(C)cc2C)cc1OCC ZINC000409121229 556815357 /nfs/dbraw/zinc/81/53/57/556815357.db2.gz TUVLHBIJBQOBRB-UHFFFAOYSA-N 0 0 437.321 5.484 40 30 IKEBRN C=CCOc1c(Br)cc(/C=C2/c3ccccc3N(CCC)C2=O)cc1OC ZINC000409122479 556816974 /nfs/dbraw/zinc/81/69/74/556816974.db2.gz ZMRUWYGLWSXAHS-ATVHPVEESA-N 0 0 428.326 5.320 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1cn(Cc2ccccc2)c2ccc(Br)cc12 ZINC000409122905 556818084 /nfs/dbraw/zinc/81/80/84/556818084.db2.gz CTNWGIQACDFQAS-UHFFFAOYSA-N 0 0 442.312 5.915 40 30 IKEBRN CCN(CC)c1ccc2c(c1)oc(=O)c(/C=N/c1ccccc1)c2NCc1ccccc1 ZINC000004859572 556824963 /nfs/dbraw/zinc/82/49/63/556824963.db2.gz ZQVKAICQYCLGIO-TURZUDJPSA-N 0 0 425.532 6.002 40 30 IKEBRN CC[C@@]1(C)C[C@](CC/N=C/c2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 ZINC000004951111 556825475 /nfs/dbraw/zinc/82/54/75/556825475.db2.gz HXQQXLYXXSIJSC-LCEKXPSXSA-N 0 0 425.569 5.439 40 30 IKEBRN CCCc1sc([N-][NH+]=Cc2ccc(N(C)C)cc2)nc1-c1ccc(Br)cc1 ZINC000006078139 556828415 /nfs/dbraw/zinc/82/84/15/556828415.db2.gz PKRGGYVRUTYMFD-OEAKJJBVSA-N 0 0 443.414 6.037 40 30 IKEBRN CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000006077276 556828471 /nfs/dbraw/zinc/82/84/71/556828471.db2.gz LIRXJRWOKNJMBE-CMJOXMDJSA-N 0 0 447.585 5.205 40 30 IKEBRN CCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccccc1 ZINC000006078603 556828629 /nfs/dbraw/zinc/82/86/29/556828629.db2.gz AUARDJHFPZSGAS-QJNLCYIWSA-N 0 0 427.982 5.890 40 30 IKEBRN CCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccc(C)cc1 ZINC000006078596 556828704 /nfs/dbraw/zinc/82/87/04/556828704.db2.gz BIQLHQXSNLNOFX-LSOGTARGSA-N 0 0 442.009 6.199 40 30 IKEBRN C#CCOc1c(Br)cc(/C=C2/c3ccccc3N(CCC)C2=O)cc1OCC ZINC000409125679 556829930 /nfs/dbraw/zinc/82/99/30/556829930.db2.gz AMEGZJMSVUAOAU-AQTBWJFISA-N 0 0 440.337 5.157 40 30 IKEBRN O=C1C=CC(=[NH+][N-]c2cccc(Cl)c2)C=C1C=Nc1ccc(Nc2ccccc2)cc1 ZINC000006473759 556833849 /nfs/dbraw/zinc/83/38/49/556833849.db2.gz URAKLIAEISKPMM-TUBCOXNZSA-N 0 0 426.907 7.955 40 30 IKEBRN COc1ccc(/C=N/Nc2nc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cs2)cc1 ZINC000006924756 556840805 /nfs/dbraw/zinc/84/08/05/556840805.db2.gz UZICDXJWYUGLHH-NUGSKGIGSA-N 0 0 446.315 5.678 40 30 IKEBRN COc1ccc(/C=C2\CC[C@@]3(C[C@@H]4CCCC[C@@]4(O)O[C@@H]3c3ccc(OC)cc3)C2=O)cc1 ZINC000008761961 556845629 /nfs/dbraw/zinc/84/56/29/556845629.db2.gz LHZZMHLXKOFUGQ-UZQLOESDSA-N 0 0 448.559 5.477 40 30 IKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)cc1Cl ZINC000408771913 556847586 /nfs/dbraw/zinc/84/75/86/556847586.db2.gz JBABMAKSGWYMLQ-PXNMLYILSA-N 0 0 427.740 5.937 40 30 IKEBRN COC(=O)c1ccc(Cl)c(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000408771902 556847644 /nfs/dbraw/zinc/84/76/44/556847644.db2.gz LCDTWCIHTNNRCR-WYMPLXKRSA-N 0 0 445.744 6.047 40 30 IKEBRN Cc1cc(/C=N\c2cc(C)c(C)c([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1 ZINC000408773047 556847974 /nfs/dbraw/zinc/84/79/74/556847974.db2.gz PBDXJENWJZEDQR-FMCGGJTJSA-N 0 0 426.314 6.132 40 30 IKEBRN Cc1ccc(C(=O)Oc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2ccco2)cc1 ZINC000409134733 556848210 /nfs/dbraw/zinc/84/82/10/556848210.db2.gz XKTDUZNOCUAMLH-UHFFFAOYSA-N 0 0 449.466 5.066 40 30 IKEBRN CC(=O)c1ccc(N=Cc2cc(C)n(-c3ccc(I)cc3)c2C)cc1 ZINC000408775047 556848479 /nfs/dbraw/zinc/84/84/79/556848479.db2.gz XYRYGVDCWRGWRV-YDZHTSKRSA-N 0 0 442.300 5.652 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OCC ZINC000408777533 556848687 /nfs/dbraw/zinc/84/86/87/556848687.db2.gz BKUNHBMMZIOLHA-QFXXMJIKSA-N 0 0 444.984 5.466 40 30 IKEBRN C=CCN1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O ZINC000409135974 556849106 /nfs/dbraw/zinc/84/91/06/556849106.db2.gz WZBBVMUUFFXWSQ-JAIQZWGSSA-N 0 0 426.900 5.704 40 30 IKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=C3/SC(=Nc4ccccc4)NC3=O)c2c1 ZINC000408777242 556850467 /nfs/dbraw/zinc/85/04/67/556850467.db2.gz XAPXUKKHZWBJQX-PXLXIMEGSA-N 0 0 425.513 5.735 40 30 IKEBRN Cc1cc(/C=N/Cc2ccccc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408777081 556850488 /nfs/dbraw/zinc/85/04/88/556850488.db2.gz VIBBXFUJQMRAAT-OEAKJJBVSA-N 0 0 428.317 5.626 40 30 IKEBRN COc1cccc(/N=C/c2cc(C)n(-c3ccc(I)cc3)c2C)c1 ZINC000408778605 556853817 /nfs/dbraw/zinc/85/38/17/556853817.db2.gz IJZMIEZORSJQMH-LPYMAVHISA-N 0 0 430.289 5.458 40 30 IKEBRN Cc1cc(/C=N/c2cccc(F)c2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408778706 556853825 /nfs/dbraw/zinc/85/38/25/556853825.db2.gz XAJPNILZEHIOOP-FSJBWODESA-N 0 0 432.280 5.897 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 ZINC000408779034 556854010 /nfs/dbraw/zinc/85/40/10/556854010.db2.gz PJDDKCPEYFHWLP-YVLHZVERSA-N 0 0 433.291 6.284 40 30 IKEBRN Cc1cc(/C=N/c2ccc(F)cc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408779059 556854083 /nfs/dbraw/zinc/85/40/83/556854083.db2.gz QAKQCVLSBSALFQ-FSJBWODESA-N 0 0 432.280 5.897 40 30 IKEBRN Cc1cc(/C=N\c2ccc(I)cc2C)c(C)n1-c1ccc(Cl)cc1 ZINC000408780047 556854407 /nfs/dbraw/zinc/85/44/07/556854407.db2.gz QXJJTSIBCURAHA-FMCGGJTJSA-N 0 0 448.735 6.411 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408782015 556854816 /nfs/dbraw/zinc/85/48/16/556854816.db2.gz GHFGYNQKPHFZIQ-JLPGSUDCSA-N 0 0 443.616 6.592 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1Cl ZINC000408783834 556855242 /nfs/dbraw/zinc/85/52/42/556855242.db2.gz RONFLZQOSWJBFB-WOARFCOISA-N 0 0 448.975 6.543 40 30 IKEBRN Cc1cc(/C=N/c2cccc(Cl)c2C)c(C)n1-c1ccc(I)cc1 ZINC000408783246 556855385 /nfs/dbraw/zinc/85/53/85/556855385.db2.gz MXRZCBPDMXTLPT-FSJBWODESA-N 0 0 448.735 6.411 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(C)c3)NC2=O)c(-c2ccccc2)n1-c1ccccc1 ZINC000408788413 556856725 /nfs/dbraw/zinc/85/67/25/556856725.db2.gz FKHYJSWQQQWAJW-BWAHOGKJSA-N 0 0 449.579 6.653 40 30 IKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C)n(-c2ccccc2C)c1C ZINC000408793467 556856992 /nfs/dbraw/zinc/85/69/92/556856992.db2.gz FAMFCCYAXNJHEG-DEOSSOPVSA-N 0 0 438.527 5.144 40 30 IKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N\c2cc(Cl)cc(Cl)c2)cc1 ZINC000408799864 556857859 /nfs/dbraw/zinc/85/78/59/556857859.db2.gz IRSRAMIWTMJLMX-MXAYSNPKSA-N 0 0 429.303 5.770 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)NCc1ccccc1 ZINC000408801232 556858655 /nfs/dbraw/zinc/85/86/55/556858655.db2.gz SOMWYUVJROUZRS-CEUNXORHSA-N 0 0 436.511 5.925 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O ZINC000408807354 556859311 /nfs/dbraw/zinc/85/93/11/556859311.db2.gz BWYUCKHXZWEHHX-BIFPGVLTSA-N 0 0 440.996 6.675 40 30 IKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc(Cl)c1O ZINC000408803141 556859593 /nfs/dbraw/zinc/85/95/93/556859593.db2.gz LQJZTJBZWHJNOY-MXAYSNPKSA-N 0 0 447.000 5.808 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccccc2OCC#N)SC1Nc1ccccc1 ZINC000408805497 556860850 /nfs/dbraw/zinc/86/08/50/556860850.db2.gz KTPHKVGPVFQCBO-BCLRBPHWSA-N 0 0 432.569 5.643 40 30 IKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3cccc(C(F)(F)F)c3)cc2)cc1 ZINC000408811490 556862741 /nfs/dbraw/zinc/86/27/41/556862741.db2.gz KHWMNGDWHQMOTD-VYYCAZPPSA-N 0 0 428.410 5.482 40 30 IKEBRN O=C1NC(=Nc2ccccc2Cl)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000408815496 556863206 /nfs/dbraw/zinc/86/32/06/556863206.db2.gz HVIFBOLCSOGFSF-UCQKPKSFSA-N 0 0 443.959 6.235 40 30 IKEBRN CCOc1cc(/C=N/n2cnnc2SC)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408815893 556863209 /nfs/dbraw/zinc/86/32/09/556863209.db2.gz SUYMGQQHAJGPSD-AUEPDCJTSA-N 0 0 437.352 5.167 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408817472 556864177 /nfs/dbraw/zinc/86/41/77/556864177.db2.gz VYXDKCBELKDAEV-HETFKXARSA-N 0 0 433.597 6.305 40 30 IKEBRN C[C@H](NC(=O)COc1ccc(/C=N\c2cccc(Br)c2)cc1)c1ccccc1 ZINC000408819195 556864714 /nfs/dbraw/zinc/86/47/14/556864714.db2.gz WZLBQHSNYVEWRH-HAWKZNDISA-N 0 0 437.337 5.456 40 30 IKEBRN C#CCOc1c(/C=N/c2sc3c(c2C#N)CCCC3)cc(Br)cc1OC ZINC000408813881 556865011 /nfs/dbraw/zinc/86/50/11/556865011.db2.gz FUIARMONFHUKBA-FSJBWODESA-N 0 0 429.339 5.032 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1cccc(F)c1 ZINC000408814117 556865287 /nfs/dbraw/zinc/86/52/87/556865287.db2.gz RNPVUNKEDJHREG-MOSHPQCFSA-N 0 0 427.497 5.198 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408814556 556865362 /nfs/dbraw/zinc/86/53/62/556865362.db2.gz GARWOQUFPVPECD-UHFFFAOYSA-N 0 0 432.306 6.459 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(OCc3ccccc3)cc2)cc1)NCc1ccco1 ZINC000408819929 556865942 /nfs/dbraw/zinc/86/59/42/556865942.db2.gz ZIYDZMPALITXBH-QRQIAZFYSA-N 0 0 440.499 5.304 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc3ccccc32)NC1=O ZINC000408820593 556865991 /nfs/dbraw/zinc/86/59/91/556865991.db2.gz XBVYJMLANQANLW-UQQQWYQISA-N 0 0 434.520 5.897 40 30 IKEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(=Nc2cccc(Cl)c2)NC1=O ZINC000408820216 556866068 /nfs/dbraw/zinc/86/60/68/556866068.db2.gz UQURGZDLNDKKOM-YVLHZVERSA-N 0 0 447.741 5.006 40 30 IKEBRN C#CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408821470 556866239 /nfs/dbraw/zinc/86/62/39/556866239.db2.gz HWIIQACRAJBCAK-BOPFTXTBSA-N 0 0 447.741 5.006 40 30 IKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cc1Cl ZINC000408829230 556866665 /nfs/dbraw/zinc/86/66/65/556866665.db2.gz OOTCUEYSIGZABU-YSMPRRRNSA-N 0 0 445.028 6.492 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br ZINC000408830563 556866715 /nfs/dbraw/zinc/86/67/15/556866715.db2.gz YPKMURLDKIMLLK-WJDWOHSUSA-N 0 0 448.725 5.355 40 30 IKEBRN Fc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1Cl ZINC000408846257 556868935 /nfs/dbraw/zinc/86/89/35/556868935.db2.gz QCLACAYIGNIEDG-LSFURLLWSA-N 0 0 445.140 7.390 40 30 IKEBRN Oc1cc(Cl)ccc1/N=C\c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408849088 556870447 /nfs/dbraw/zinc/87/04/47/556870447.db2.gz UMDNDFQXEHVVJO-NKVSQWTQSA-N 0 0 443.149 6.956 40 30 IKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC(C)=O ZINC000408849983 556870633 /nfs/dbraw/zinc/87/06/33/556870633.db2.gz CFJBSYQIBCKZAK-YSMPRRRNSA-N 0 0 448.544 5.564 40 30 IKEBRN CCC1N=NC(=S)N1N=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408853344 556870653 /nfs/dbraw/zinc/87/06/53/556870653.db2.gz RGWKJVHQADIWME-AUEPDCJTSA-N 0 0 430.364 5.321 40 30 IKEBRN CC(C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408849796 556870658 /nfs/dbraw/zinc/87/06/58/556870658.db2.gz ZFIRLZOYAJAHLQ-PNKJTKAASA-N 0 0 434.605 6.657 40 30 IKEBRN Clc1ccc(Sc2oc(/C=N/c3ccc4ncccc4c3)cc2Br)cc1 ZINC000408850088 556870676 /nfs/dbraw/zinc/87/06/76/556870676.db2.gz FPVUTGUBJNNZTG-WYMPLXKRSA-N 0 0 443.753 7.146 40 30 IKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)cc1OC ZINC000408850457 556870696 /nfs/dbraw/zinc/87/06/96/556870696.db2.gz AIAJBKJXNYTBOL-WGARJPEWSA-N 0 0 438.549 5.308 40 30 IKEBRN Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O ZINC000408857271 556871123 /nfs/dbraw/zinc/87/11/23/556871123.db2.gz NLYAPLIFVFBOQT-RKDBTKCASA-N 0 0 429.589 6.659 40 30 IKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408858739 556871324 /nfs/dbraw/zinc/87/13/24/556871324.db2.gz OYQHCLJXGGFOEW-ZLTVRPSUSA-N 0 0 432.633 7.167 40 30 IKEBRN Cc1cccc(COc2ccc(/C=C3\SC(=Nc4cc(Cl)ccc4C)NC3=O)cc2)c1 ZINC000408856094 556871954 /nfs/dbraw/zinc/87/19/54/556871954.db2.gz HHOTVVHQRLLEAA-QRVIBDJDSA-N 0 0 448.975 6.427 40 30 IKEBRN CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408856222 556872254 /nfs/dbraw/zinc/87/22/54/556872254.db2.gz BLQZIHGQWUIYFT-VEIFWBPYSA-N 0 0 434.605 6.658 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Br)o2)S/C1=N\c1ccccc1 ZINC000408861419 556872412 /nfs/dbraw/zinc/87/24/12/556872412.db2.gz ACHIYFXGYVAKER-RBAQKUGKSA-N 0 0 445.382 6.225 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2F)NC1=O ZINC000408861838 556872510 /nfs/dbraw/zinc/87/25/10/556872510.db2.gz DQDDHZFOXCKIRX-BOPFTXTBSA-N 0 0 433.302 5.045 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S1 ZINC000408863628 556872987 /nfs/dbraw/zinc/87/29/87/556872987.db2.gz PVIFKNYJRUKIGF-UCQKPKSFSA-N 0 0 431.561 5.611 40 30 IKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1ccccc1 ZINC000408863701 556873025 /nfs/dbraw/zinc/87/30/25/556873025.db2.gz UJMQKLILDHWRFW-BRISHEGSSA-N 0 0 428.960 6.662 40 30 IKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1ccccc1 ZINC000408863794 556873031 /nfs/dbraw/zinc/87/30/31/556873031.db2.gz UJMQKLILDHWRFW-SEWPQYCTSA-N 0 0 428.960 6.662 40 30 IKEBRN Cc1cccc(COc2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4C)NC3=O)cc2)c1 ZINC000408864378 556873035 /nfs/dbraw/zinc/87/30/35/556873035.db2.gz ZLWYWUQLPYRKSG-UCQKPKSFSA-N 0 0 448.975 6.427 40 30 IKEBRN C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O ZINC000409138409 556873287 /nfs/dbraw/zinc/87/32/87/556873287.db2.gz BIDGNIGPNVDKKQ-LICLKQGHSA-N 0 0 437.710 5.305 40 30 IKEBRN C#CCN1C(=O)S/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409142413 556873390 /nfs/dbraw/zinc/87/33/90/556873390.db2.gz KHOBXKYIMCYKRQ-STZFKDTASA-N 0 0 436.920 5.043 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl ZINC000409141407 556873595 /nfs/dbraw/zinc/87/35/95/556873595.db2.gz JPWBPCRRLWATQZ-XMHGGMMESA-N 0 0 446.355 5.675 40 30 IKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)S/C1=N\c1ccccc1 ZINC000408866617 556873654 /nfs/dbraw/zinc/87/36/54/556873654.db2.gz HLDDIBDFEFZNDB-IDSCKFSESA-N 0 0 449.620 6.453 40 30 IKEBRN COc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)cc1Br ZINC000408868611 556874174 /nfs/dbraw/zinc/87/41/74/556874174.db2.gz NCOBQUNLUUSQMW-SXGWCWSVSA-N 0 0 437.746 5.311 40 30 IKEBRN CCN1c2ccccc2/C(=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)C1=O ZINC000409145959 556874574 /nfs/dbraw/zinc/87/45/74/556874574.db2.gz PGJKBQRDFGHHFC-WWAHWXIYSA-N 0 0 431.561 5.360 40 30 IKEBRN O=C1[C@@H]2[C@@H](C(=O)N1/N=C/c1ccc(Cl)cc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000409149845 556876756 /nfs/dbraw/zinc/87/67/56/556876756.db2.gz SEXROUJCBKUACS-RDJAHTEYSA-N 0 0 447.321 5.220 40 30 IKEBRN O=C1[C@H]2[C@H](C(=O)N1/N=C/c1ccc(Cl)cc1Cl)C1c3ccccc3C2c2ccccc21 ZINC000409149843 556876768 /nfs/dbraw/zinc/87/67/68/556876768.db2.gz SEXROUJCBKUACS-CRCLCVMDSA-N 0 0 447.321 5.220 40 30 IKEBRN CCN1c2ccccc2/C(=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)C1=O ZINC000409149962 556876796 /nfs/dbraw/zinc/87/67/96/556876796.db2.gz WPFOTHIDNZJAOA-WEMUOSSPSA-N 0 0 443.572 5.044 40 30 IKEBRN COc1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000408883583 556877549 /nfs/dbraw/zinc/87/75/49/556877549.db2.gz RLCNCVGUFMHKGS-NDENLUEZSA-N 0 0 435.461 5.063 40 30 IKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408884384 556877803 /nfs/dbraw/zinc/87/78/03/556877803.db2.gz UHHVJWXDZIKZMG-PKIMKDRHSA-N 0 0 432.589 6.434 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(=O)c4ccc(C)cc4)cc3)S2)cc1 ZINC000408889392 556878761 /nfs/dbraw/zinc/87/87/61/556878761.db2.gz FZMQWIYAYPMOBK-JCMHNJIXSA-N 0 0 428.513 5.414 40 30 IKEBRN COc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OC(=O)c1ccccc1 ZINC000408893580 556879819 /nfs/dbraw/zinc/87/98/19/556879819.db2.gz HAJBUTQPPLVIBH-JCMHNJIXSA-N 0 0 444.512 5.114 40 30 IKEBRN CCOc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000408894779 556880406 /nfs/dbraw/zinc/88/04/06/556880406.db2.gz FXUDLTZWEWEZEA-UHFFFAOYSA-N 0 0 427.972 5.712 40 30 IKEBRN Cc1cccc(Cn2cc(C3C4=C(CCCC4=O)NC4=C3C(=O)CCC4)c3ccccc32)c1 ZINC000408896249 556881222 /nfs/dbraw/zinc/88/12/22/556881222.db2.gz JURYXDDPXDASNG-UHFFFAOYSA-N 0 0 436.555 5.699 40 30 IKEBRN CCOc1ccc(C=C2C(=O)C(C(=O)OC)=C(C)N2c2ccc(Cl)c(Cl)c2)cc1 ZINC000408896292 556881315 /nfs/dbraw/zinc/88/13/15/556881315.db2.gz XNROHOPJIBWLOZ-ODLFYWEKSA-N 0 0 432.303 5.269 40 30 IKEBRN COCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2OC)C2=C1CC(C)(C)CC2=O ZINC000408899850 556882060 /nfs/dbraw/zinc/88/20/60/556882060.db2.gz WGUFFTBZXYDWNL-UHFFFAOYSA-N 0 0 437.580 5.027 40 30 IKEBRN CC(C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408905599 556884106 /nfs/dbraw/zinc/88/41/06/556884106.db2.gz BNBJARRRMCVPFG-WEOUEGTISA-N 0 0 442.584 6.321 40 30 IKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408906140 556884386 /nfs/dbraw/zinc/88/43/86/556884386.db2.gz HOZYBDYNIDTJDA-CURVLSCQSA-N 0 0 440.568 6.098 40 30 IKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2c(F)cccc2Cl)S/C1=N\c1ccccc1 ZINC000408906463 556884502 /nfs/dbraw/zinc/88/45/02/556884502.db2.gz BQNOGRZBXVWSHP-BJHCLOSNSA-N 0 0 436.939 6.844 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)S/C1=N\c1ccc(C)cc1 ZINC000408906967 556884721 /nfs/dbraw/zinc/88/47/21/556884721.db2.gz FICHKIMSKNYASA-PPSMZDETSA-N 0 0 445.338 5.110 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)cc1 ZINC000408912159 556886355 /nfs/dbraw/zinc/88/63/55/556886355.db2.gz MDXXDUFLIBVJMD-WEOUEGTISA-N 0 0 448.632 6.975 40 30 IKEBRN COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N([C@@H](C)c2ccccc2)C1=O ZINC000408912861 556886559 /nfs/dbraw/zinc/88/65/59/556886559.db2.gz RSHQUKBWATXOIX-QVGARYPSSA-N 0 0 448.975 6.714 40 30 IKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(-c3ccc(F)cc3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408912555 556886609 /nfs/dbraw/zinc/88/66/09/556886609.db2.gz NURJMMYDLKRBIS-BTGSRNBQSA-N 0 0 434.536 6.797 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1OC ZINC000408907842 556886850 /nfs/dbraw/zinc/88/68/50/556886850.db2.gz PFZXMWDTSBHEST-BHLGVUJGSA-N 0 0 444.556 6.069 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(C(C)C)C2=O)cc1Br ZINC000408907891 556886870 /nfs/dbraw/zinc/88/68/70/556886870.db2.gz PZFGMDZZORFYQU-FTIPTLOASA-N 0 0 431.355 5.470 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)c(OC)c1 ZINC000408909576 556887313 /nfs/dbraw/zinc/88/73/13/556887313.db2.gz VIRQWYGGWLVQLB-HUOZHCEOSA-N 0 0 430.529 5.508 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)cc1OC ZINC000408909447 556887343 /nfs/dbraw/zinc/88/73/43/556887343.db2.gz CXMDRWLWKUYBQP-OQNHBUHUSA-N 0 0 436.577 5.949 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C(=O)N2C(C)C)cc1 ZINC000408909799 556887459 /nfs/dbraw/zinc/88/74/59/556887459.db2.gz FBEZEUMNWUKRCY-QMSJJHEMSA-N 0 0 447.516 6.176 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1cc(C)ccc1C ZINC000408909671 556887465 /nfs/dbraw/zinc/88/74/65/556887465.db2.gz HQTIPGRMCVCXMD-QMSJJHEMSA-N 0 0 447.516 6.096 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2ccc(C)cc2)N(C(C)C)C1=O ZINC000408909941 556887472 /nfs/dbraw/zinc/88/74/72/556887472.db2.gz FRNGYBCYZPFEQZ-FUQOYWQNSA-N 0 0 444.600 6.949 40 30 IKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408910128 556887747 /nfs/dbraw/zinc/88/77/47/556887747.db2.gz FUXLNVHAYPDYLZ-CXPRPJQYSA-N 0 0 429.383 6.160 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc32)nc1 ZINC000408910969 556887949 /nfs/dbraw/zinc/88/79/49/556887949.db2.gz MIWSECCDCGIDNM-WGARJPEWSA-N 0 0 432.867 5.821 40 30 IKEBRN CCCN1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)S/C1=N\c1ccccc1 ZINC000408910770 556887953 /nfs/dbraw/zinc/88/79/53/556887953.db2.gz KSPBHTNGBXXFDQ-HFYOLELGSA-N 0 0 445.338 5.192 40 30 IKEBRN CC(C)N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1ccccc1 ZINC000408911290 556888001 /nfs/dbraw/zinc/88/80/01/556888001.db2.gz MSUVYZXIZCZUBS-NFEGURHZSA-N 0 0 433.489 5.867 40 30 IKEBRN CC(C)N1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)S/C1=N\c1ccccc1 ZINC000408911373 556888191 /nfs/dbraw/zinc/88/81/91/556888191.db2.gz NFHZEAGEJCAOSP-DNLCFCFBSA-N 0 0 444.398 5.528 40 30 IKEBRN C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cccc1OC ZINC000408911393 556888203 /nfs/dbraw/zinc/88/82/03/556888203.db2.gz JDUMYQBOCINTIM-BHLGTFHESA-N 0 0 436.577 5.971 40 30 IKEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408911592 556888281 /nfs/dbraw/zinc/88/82/81/556888281.db2.gz OCUKTFBZOJCVMA-MSXFZWOLSA-N 0 0 446.290 5.935 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OC(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000408911608 556888291 /nfs/dbraw/zinc/88/82/91/556888291.db2.gz KJNOZFZSTXPSEC-FUQOYWQNSA-N 0 0 442.584 6.586 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408913394 556889159 /nfs/dbraw/zinc/88/91/59/556889159.db2.gz UARPPXNALPZAKA-DNLCFCFBSA-N 0 0 444.398 5.447 40 30 IKEBRN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c1 ZINC000408914669 556889749 /nfs/dbraw/zinc/88/97/49/556889749.db2.gz VRYIHMFMKADWSF-OQNHBUHUSA-N 0 0 436.577 5.949 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408914754 556889803 /nfs/dbraw/zinc/88/98/03/556889803.db2.gz WCTJTNONQJGMMP-BUWHHMLQSA-N 0 0 440.612 7.410 40 30 IKEBRN Cc1ccc(Sc2oc(/C=N\c3cc(C)c(C)c([N+](=O)[O-])c3)cc2Br)cc1 ZINC000408914525 556889812 /nfs/dbraw/zinc/88/98/12/556889812.db2.gz QGLYZWLXASURPP-JJFYIABZSA-N 0 0 445.338 6.777 40 30 IKEBRN CCN(CC)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 ZINC000408914909 556889836 /nfs/dbraw/zinc/88/98/36/556889836.db2.gz ZRNZARNGGPQQJQ-BUVRLJJBSA-N 0 0 443.410 7.099 40 30 IKEBRN Cc1ccc(Sc2oc(C=NN=c3ccc4ccccc4[nH]3)cc2Br)cc1 ZINC000408915118 556889984 /nfs/dbraw/zinc/88/99/84/556889984.db2.gz UXUTYFVDSUSRRA-YDZHTSKRSA-N 0 0 438.350 6.496 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000408915239 556890018 /nfs/dbraw/zinc/89/00/18/556890018.db2.gz XLEFBZLYJWSKAJ-OBUXZSPNSA-N 0 0 443.528 5.750 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000408915403 556890311 /nfs/dbraw/zinc/89/03/11/556890311.db2.gz YATDIQAYVUYAAI-LBMUFILHSA-N 0 0 429.501 5.707 40 30 IKEBRN CC(C)(C)[C@]1(O)C=C(C(F)(F)C(F)(F)C(F)(F)F)NN1C(=O)c1ccccc1Cl ZINC000408919733 556890464 /nfs/dbraw/zinc/89/04/64/556890464.db2.gz BTYPDISSVFSOGC-CQSZACIVSA-N 0 0 448.766 5.110 40 30 IKEBRN CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OCC ZINC000408916113 556890609 /nfs/dbraw/zinc/89/06/09/556890609.db2.gz UYFUZLDJVAUPOA-PKAZHMFMSA-N 0 0 448.588 6.427 40 30 IKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1cccc(Br)c1 ZINC000408931640 556892871 /nfs/dbraw/zinc/89/28/71/556892871.db2.gz OJJYMGDUAJULHC-PCLIKHOPSA-N 0 0 438.369 5.444 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(OC)c2)S/C1=N/c1ccccc1 ZINC000408928570 556893455 /nfs/dbraw/zinc/89/34/55/556893455.db2.gz CPTRHSLMWZIACO-YFGQCYJXSA-N 0 0 440.565 5.123 40 30 IKEBRN C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C(=O)N1C ZINC000408929342 556893801 /nfs/dbraw/zinc/89/38/01/556893801.db2.gz IXRWMDXXZJAMCV-BLYKWHDGSA-N 0 0 425.312 5.243 40 30 IKEBRN CCN1C(=O)/C(=C/c2cccc(Cl)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408929424 556893923 /nfs/dbraw/zinc/89/39/23/556893923.db2.gz JLYAXFBQTRBUOL-REHDBGDWSA-N 0 0 425.985 5.954 40 30 IKEBRN C/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C(=O)N1C ZINC000408930379 556894370 /nfs/dbraw/zinc/89/43/70/556894370.db2.gz WFFPFWOLDWCYDW-MDRWVBAWSA-N 0 0 437.348 5.113 40 30 IKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)c(Cl)c1 ZINC000408930809 556894519 /nfs/dbraw/zinc/89/45/19/556894519.db2.gz CIWLHJAJAKHKIU-JVWAILMASA-N 0 0 441.358 6.160 40 30 IKEBRN Clc1ccc(COc2ccccc2/C=N/c2ccc(N3CCOCC3)cc2)c(Cl)c1 ZINC000408931351 556894740 /nfs/dbraw/zinc/89/47/40/556894740.db2.gz KKRHBXYBOYYSHZ-JVWAILMASA-N 0 0 441.358 6.160 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OCC ZINC000408933576 556894982 /nfs/dbraw/zinc/89/49/82/556894982.db2.gz AWQXCYDXPHSWOB-JCZPZKDPSA-N 0 0 438.571 7.061 40 30 IKEBRN COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408934447 556895226 /nfs/dbraw/zinc/89/52/26/556895226.db2.gz ATOABYCADJWBHR-KERJXVQQSA-N 0 0 428.963 7.234 40 30 IKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(/N=C/c3c(O)ccc4ccccc34)cc1)N2 ZINC000408936450 556895669 /nfs/dbraw/zinc/89/56/69/556895669.db2.gz GLSSUTWJJAVVCN-QSOHTTGPSA-N 0 0 430.551 7.431 40 30 IKEBRN CCN(CC)c1ccc(-n2c(C)cc(/C=N/c3ccc(N4CCOCC4)cc3)c2C)cc1 ZINC000408932634 556896189 /nfs/dbraw/zinc/89/61/89/556896189.db2.gz YMLQKWFCBRLHAI-VFCFBJKWSA-N 0 0 430.596 5.528 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408940317 556896672 /nfs/dbraw/zinc/89/66/72/556896672.db2.gz NUUAYLBDFIVHFW-BRGLFVENSA-N 0 0 434.539 6.284 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccccc2OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000408937147 556896973 /nfs/dbraw/zinc/89/69/73/556896973.db2.gz IINXOJIDRKTIMR-UUYOSTAYSA-N 0 0 426.816 5.181 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408937306 556897015 /nfs/dbraw/zinc/89/70/15/556897015.db2.gz ISFLKLJBVLNBIC-QFNSRWMKSA-N 0 0 438.571 6.979 40 30 IKEBRN Cc1ccc(COc2ccc(Cl)cc2CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000408941733 556897091 /nfs/dbraw/zinc/89/70/91/556897091.db2.gz PNCQHRICJSZQCW-FMCGGJTJSA-N 0 0 440.843 5.490 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408938620 556897100 /nfs/dbraw/zinc/89/71/00/556897100.db2.gz LEVWEVSHASTCOE-ZYXXKRPKSA-N 0 0 442.990 7.624 40 30 IKEBRN COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408938097 556897112 /nfs/dbraw/zinc/89/71/12/556897112.db2.gz KJJBANPKBSNGBJ-ZRVCGSQWSA-N 0 0 430.551 7.426 40 30 IKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)ccc1OC ZINC000408938299 556897144 /nfs/dbraw/zinc/89/71/44/556897144.db2.gz PZYCHQHCNDJMLI-BZKNYGTMSA-N 0 0 438.571 6.979 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408944958 556897351 /nfs/dbraw/zinc/89/73/51/556897351.db2.gz VPHKNZNFVYJJBP-PUUWJRNQSA-N 0 0 444.578 7.816 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OC ZINC000408944765 556897451 /nfs/dbraw/zinc/89/74/51/556897451.db2.gz VASXXQAHMWZQSS-GYWSPCNESA-N 0 0 444.962 6.934 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cc(Br)c(Br)o3)S2)c1 ZINC000408949735 556897740 /nfs/dbraw/zinc/89/77/40/556897740.db2.gz BXBAULNZXIXLTD-GHXNOFRVSA-N 0 0 442.132 5.005 40 30 IKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408943935 556897771 /nfs/dbraw/zinc/89/77/71/556897771.db2.gz SSTSGKJPRNWSDI-JCZPZKDPSA-N 0 0 438.571 7.061 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(O[C@H](C)CC)c(OC)c3)S2)cc1 ZINC000408951171 556898030 /nfs/dbraw/zinc/89/80/30/556898030.db2.gz HYOWNCMUDNPXIE-HFITWMCCSA-N 0 0 426.538 5.163 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(F)c4)c3C)S2)cc1 ZINC000408952184 556898294 /nfs/dbraw/zinc/89/82/94/556898294.db2.gz KZGKXDOJGGZEJH-LPYMAVHISA-N 0 0 435.524 5.524 40 30 IKEBRN Clc1cc(/N=C/c2cc(Br)c(Br)o2)ccc1Br ZINC000408952213 556898324 /nfs/dbraw/zinc/89/83/24/556898324.db2.gz LLFGXSVGTKONNO-FZSIALSZSA-N 0 0 442.332 5.971 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3)S2)cc1 ZINC000408953915 556898790 /nfs/dbraw/zinc/89/87/90/556898790.db2.gz QPQBVAKFTCQYQR-XQNSMLJCSA-N 0 0 430.529 5.556 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccccc4F)c3)S2)cc1 ZINC000408955101 556898993 /nfs/dbraw/zinc/89/89/93/556898993.db2.gz WEUKWHKLWUGYGY-HZHRSRAPSA-N 0 0 448.519 5.695 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)S2)cc1 ZINC000408954433 556899068 /nfs/dbraw/zinc/89/90/68/556899068.db2.gz SYJHEPDKYZXNNR-HZHRSRAPSA-N 0 0 448.519 5.695 40 30 IKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2cc(Br)c(Br)o2)S1 ZINC000408954610 556899133 /nfs/dbraw/zinc/89/91/33/556899133.db2.gz UARFBUZLVGDDAX-GHXNOFRVSA-N 0 0 442.132 5.005 40 30 IKEBRN COCCCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccccc1 ZINC000408955322 556899216 /nfs/dbraw/zinc/89/92/16/556899216.db2.gz WWQMEJFGLOMXTL-YJMOJNCUSA-N 0 0 447.560 5.126 40 30 IKEBRN COc1ccc(Cl)cc1/N=C/c1cc(Br)c(I)o1 ZINC000408955544 556899267 /nfs/dbraw/zinc/89/92/67/556899267.db2.gz XOPFBJMSAXBAQC-OMCISZLKSA-N 0 0 440.462 5.059 40 30 IKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000408959606 556899682 /nfs/dbraw/zinc/89/96/82/556899682.db2.gz BWKAISHVXHGFGF-NKDOTSDESA-N 0 0 439.584 6.404 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(Cl)cc1 ZINC000408960232 556900047 /nfs/dbraw/zinc/90/00/47/556900047.db2.gz JZHMBIDLTAOIIE-QWKKMKHHSA-N 0 0 425.985 5.954 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1C[C@H]1CCCO1 ZINC000408961338 556900859 /nfs/dbraw/zinc/90/08/59/556900859.db2.gz RRWKAHGHBRMJLQ-MXVFCOJPSA-N 0 0 433.577 5.070 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc(Cl)c1OC(C)C ZINC000408961669 556901091 /nfs/dbraw/zinc/90/10/91/556901091.db2.gz DENNAAYWGDWLIX-XDHOZWIPSA-N 0 0 430.957 5.726 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=Nc2ccccc2)N1Cc1cccnc1 ZINC000408961623 556901126 /nfs/dbraw/zinc/90/11/26/556901126.db2.gz UCMHGFRCCLIRCP-AIMMPNMZSA-N 0 0 440.572 5.486 40 30 IKEBRN Cc1ccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000408961800 556901155 /nfs/dbraw/zinc/90/11/55/556901155.db2.gz NXXRGRSRHNCLAS-LDADJPATSA-N 0 0 428.344 5.984 40 30 IKEBRN Oc1ccc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)cc1I ZINC000408962319 556901316 /nfs/dbraw/zinc/90/13/16/556901316.db2.gz HHRAMCWDJVKJFU-YDZHTSKRSA-N 0 0 439.252 6.161 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cc2c(cc1Cl)OCO2 ZINC000408963416 556901825 /nfs/dbraw/zinc/90/18/25/556901825.db2.gz ZHUOMVJLPJNLCL-LHHJGKSTSA-N 0 0 427.696 5.267 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Cl)c1O[C@@H](C)CC ZINC000408963618 556901989 /nfs/dbraw/zinc/90/19/89/556901989.db2.gz CVRNJBPRPVUXJG-HCZVKUGISA-N 0 0 448.947 5.947 40 30 IKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc4ncccc4c3)c2C)cc1 ZINC000408964075 556902029 /nfs/dbraw/zinc/90/20/29/556902029.db2.gz BMKLMDKCJMFZTN-RDRPBHBLSA-N 0 0 425.532 6.350 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CC)C2=O)c1C ZINC000408964745 556902228 /nfs/dbraw/zinc/90/22/28/556902228.db2.gz DPRZLCUAOFCNFG-SIFMURAYSA-N 0 0 429.589 6.280 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br ZINC000408966628 556902282 /nfs/dbraw/zinc/90/22/82/556902282.db2.gz PRUUJBTWDJEUFR-ONDHQXCVSA-N 0 0 445.382 5.826 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccc(C)cc3Br)c2C)c1 ZINC000408965915 556902788 /nfs/dbraw/zinc/90/27/88/556902788.db2.gz JXNVGEBFFJHFAN-QFEZKATASA-N 0 0 439.353 6.092 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c1C ZINC000408965856 556902792 /nfs/dbraw/zinc/90/27/92/556902792.db2.gz JEOMXQVVKVSMOI-XKZIYDEJSA-N 0 0 435.980 6.202 40 30 IKEBRN Cc1cc(N2CCCCC2)ccc1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000408966053 556902842 /nfs/dbraw/zinc/90/28/42/556902842.db2.gz MNXAWMBKPGXCOB-CPNJWEJPSA-N 0 0 446.403 6.184 40 30 IKEBRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)o2)c1 ZINC000408966857 556903064 /nfs/dbraw/zinc/90/30/64/556903064.db2.gz QXBFVQMSWCBAGX-FYJGNVAPSA-N 0 0 432.501 5.242 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc2ncccc2c1 ZINC000408966896 556903220 /nfs/dbraw/zinc/90/32/20/556903220.db2.gz OTUKCHYQFCPERF-UCQKPKSFSA-N 0 0 442.519 5.673 40 30 IKEBRN CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408969675 556904242 /nfs/dbraw/zinc/90/42/42/556904242.db2.gz RUKLPJSTRGLKIK-OVVQPSECSA-N 0 0 432.589 6.809 40 30 IKEBRN COc1ccc(OC)c(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 ZINC000408969639 556904263 /nfs/dbraw/zinc/90/42/63/556904263.db2.gz RJHJNQYASKYVBH-WPWMEQJKSA-N 0 0 448.588 6.427 40 30 IKEBRN Fc1ccc(-c2ccc(CN=Nc3c(F)c(F)c(C(F)(F)F)c(F)c3F)o2)c(F)c1 ZINC000408974712 556905435 /nfs/dbraw/zinc/90/54/35/556905435.db2.gz CFQUIXNEAFUKMA-LYOATTTOSA-N 0 0 438.249 6.246 40 30 IKEBRN COc1ccc(C(C)N=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 ZINC000408974776 556905452 /nfs/dbraw/zinc/90/54/52/556905452.db2.gz GYLQTXNULHUKCA-TURZUDJPSA-N 0 0 427.573 6.939 40 30 IKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 ZINC000408978391 556905945 /nfs/dbraw/zinc/90/59/45/556905945.db2.gz ZFNBOFXKGWIPQC-XQNSMLJCSA-N 0 0 441.527 5.916 40 30 IKEBRN O=[N+]([O-])c1cc2c(cc1/C=N/c1nc(-c3ccc(C4CCCCC4)cc3)cs1)OCO2 ZINC000408976925 556906475 /nfs/dbraw/zinc/90/64/75/556906475.db2.gz HAVWOKZVPZMZPU-WYMPLXKRSA-N 0 0 435.505 6.245 40 30 IKEBRN Cc1ccccc1/C=N/c1oc(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)c1C#N ZINC000408976736 556906489 /nfs/dbraw/zinc/90/64/89/556906489.db2.gz RVQZONPMZDQVOO-QNKGDIEWSA-N 0 0 438.530 8.211 40 30 IKEBRN C=CCN(C(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)c1ccccc1 ZINC000408980725 556907822 /nfs/dbraw/zinc/90/78/22/556907822.db2.gz WYEDOOKHLMAENJ-UHFFFAOYSA-N 0 0 443.510 5.587 40 30 IKEBRN CC(C)(C)c1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc(C(C)(C)C)c1O ZINC000408983817 556907933 /nfs/dbraw/zinc/90/79/33/556907933.db2.gz CWNXEWFOYHDKJF-UYRXBGFRSA-N 0 0 443.012 6.532 40 30 IKEBRN CCCCCCCCNC(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 ZINC000408978442 556908570 /nfs/dbraw/zinc/90/85/70/556908570.db2.gz MDHGZPSFZJAHJD-UHFFFAOYSA-N 0 0 430.556 6.102 40 30 IKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3cccc4cccnc43)o2)S1 ZINC000408989984 556911225 /nfs/dbraw/zinc/91/12/25/556911225.db2.gz JPZPHUXTGQYZDC-ZHZULCJRSA-N 0 0 443.553 6.179 40 30 IKEBRN O=C(CSc1ccc(/C=C2\Sc3ccccc3C2=O)cc1[N+](=O)[O-])Nc1ccccc1 ZINC000408991739 556911739 /nfs/dbraw/zinc/91/17/39/556911739.db2.gz PCSOAYBZNQZOTH-BKUYFWCQSA-N 0 0 448.525 5.655 40 30 IKEBRN CCCCCCCOc1ccc(/C=C2\N=C(c3ccc(OCCCC)cc3)OC2=O)cc1 ZINC000409003773 556916893 /nfs/dbraw/zinc/91/68/93/556916893.db2.gz LAPILKISQJTSLV-QQTULTPQSA-N 0 0 435.564 6.559 40 30 IKEBRN C=CCOc1cc(Br)c(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OCC ZINC000409010446 556917883 /nfs/dbraw/zinc/91/78/83/556917883.db2.gz KNCSLMLPLDKARK-YXHQGMJNSA-N 0 0 440.359 5.247 40 30 IKEBRN CCCCN1C(=O)/C(=C/c2ccc(O[C@@H](C)CC)c(Cl)c2)SC1=Nc1ccccc1 ZINC000409010731 556917893 /nfs/dbraw/zinc/91/78/93/556917893.db2.gz DHTKBSNFHDQQQG-RAVVDBFUSA-N 0 0 443.012 6.921 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(F)cc3)N(CC)C2=O)cc1Cl ZINC000409011600 556918196 /nfs/dbraw/zinc/91/81/96/556918196.db2.gz NUNYPWNTGPXYKF-XNJRNFBTSA-N 0 0 432.948 6.280 40 30 IKEBRN Cc1ccc(-n2cccc2/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl ZINC000409013772 556918234 /nfs/dbraw/zinc/91/82/34/556918234.db2.gz VHOHCJLKDACPPC-WGOQTCKBSA-N 0 0 447.947 7.249 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=N\c2ccc(I)cc2C)cc1Cl ZINC000409012330 556918436 /nfs/dbraw/zinc/91/84/36/556918436.db2.gz QNWFYQATFMVGHU-PJICWNCHSA-N 0 0 427.713 6.181 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(N(C)C)cc3)N(C)C2=O)cc1Cl ZINC000409012669 556918593 /nfs/dbraw/zinc/91/85/93/556918593.db2.gz RFAGBHGZJMZEDD-BCULVLPOSA-N 0 0 444.000 5.817 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2cccc(F)c2)o1 ZINC000409013607 556920047 /nfs/dbraw/zinc/92/00/47/556920047.db2.gz MYDDGRZRILCVLO-YVLHZVERSA-N 0 0 433.291 6.284 40 30 IKEBRN C#CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000409014165 556920186 /nfs/dbraw/zinc/92/01/86/556920186.db2.gz MKDOJSURVOPWPX-TURZUDJPSA-N 0 0 442.584 6.422 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccc(N(C)C)cc1 ZINC000409014182 556920238 /nfs/dbraw/zinc/92/02/38/556920238.db2.gz GDJIKWZWWQJNBV-YOIRLTMBSA-N 0 0 442.544 5.508 40 30 IKEBRN O=C1/C(=C/c2ccc(-c3cccc(F)c3)o2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000409016479 556921332 /nfs/dbraw/zinc/92/13/32/556921332.db2.gz CRYBPUBPGGIQEV-NMRWETQTSA-N 0 0 440.499 6.894 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl ZINC000409033195 556927474 /nfs/dbraw/zinc/92/74/74/556927474.db2.gz NOGNELHACRBWAQ-MMQGLITPSA-N 0 0 429.163 5.885 40 30 IKEBRN Cc1cccc(Cn2cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)c1 ZINC000409033898 556927674 /nfs/dbraw/zinc/92/76/74/556927674.db2.gz GJAABMZHIUSWKG-LGUSAWBASA-N 0 0 431.355 5.712 40 30 IKEBRN N#Cc1ccccc1Cn1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 ZINC000409034566 556928214 /nfs/dbraw/zinc/92/82/14/556928214.db2.gz HWLPVWWJFWLUNM-DANHRZQXSA-N 0 0 442.338 5.275 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(OCc2ccccc2Cl)c1 ZINC000409035228 556928476 /nfs/dbraw/zinc/92/84/76/556928476.db2.gz JHIWGNBPKHNTFW-JQAMDZJQSA-N 0 0 428.735 5.633 40 30 IKEBRN COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1ccc(C)cc1 ZINC000409036525 556928728 /nfs/dbraw/zinc/92/87/28/556928728.db2.gz LLHOQARPDUPGPV-NCAUGAEKSA-N 0 0 438.343 5.297 40 30 IKEBRN CC(C)COc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl ZINC000409043492 556929744 /nfs/dbraw/zinc/92/97/44/556929744.db2.gz RCDLODXUHPDKIX-UHFFFAOYSA-N 0 0 448.390 6.071 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)C1=O ZINC000409044448 556930020 /nfs/dbraw/zinc/93/00/20/556930020.db2.gz CFCVEPUQZNHDNE-XDHOZWIPSA-N 0 0 442.334 5.006 40 30 IKEBRN COc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000409046247 556930578 /nfs/dbraw/zinc/93/05/78/556930578.db2.gz JSQMSUDXEFRKKJ-UHFFFAOYSA-N 0 0 449.374 6.402 40 30 IKEBRN CC(C)CSc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409046326 556930859 /nfs/dbraw/zinc/93/08/59/556930859.db2.gz JYONCTABLYSLRM-WMDMUMDLSA-N 0 0 426.401 6.302 40 30 IKEBRN CCCOc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 ZINC000409050109 556932453 /nfs/dbraw/zinc/93/24/53/556932453.db2.gz YWQBWLSFEBCZPM-UHFFFAOYSA-N 0 0 434.363 5.825 40 30 IKEBRN FC(F)(F)c1ccccc1CN=Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000409050919 556932871 /nfs/dbraw/zinc/93/28/71/556932871.db2.gz DHTJIPAHPVLTDS-LSFURLLWSA-N 0 0 426.261 6.037 40 30 IKEBRN Cc1ccc(-c2csc(N=NC(C)c3ccc(OCc4ccc(Cl)cc4)cc3)n2)cc1 ZINC000409051244 556932895 /nfs/dbraw/zinc/93/28/95/556932895.db2.gz JQICPZZMNAJZQD-MTDXEUNCSA-N 0 0 447.991 7.187 40 30 IKEBRN S=C1N=NC(c2ccccc2)N1N=Cc1ccc(OCc2cccc3ccccc32)cc1 ZINC000409059491 556936436 /nfs/dbraw/zinc/93/64/36/556936436.db2.gz QAOAUEGWUAXYQO-WPWMEQJKSA-N 0 0 436.540 5.848 40 30 IKEBRN CCOc1cc(C=NN2C(=S)N=NC2c2ccccc2)ccc1OCc1cccc(F)c1 ZINC000409053998 556938141 /nfs/dbraw/zinc/93/81/41/556938141.db2.gz LIFAVZXSANMMDT-CVKSISIWSA-N 0 0 448.523 5.233 40 30 IKEBRN COc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4)NC3=O)c2C)cc1Cl ZINC000409062962 556940467 /nfs/dbraw/zinc/94/04/67/556940467.db2.gz DOXJVYAAAOWGGB-MTJSOVHGSA-N 0 0 437.952 5.648 40 30 IKEBRN Cc1cc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1ccccc1Cl ZINC000409064449 556940977 /nfs/dbraw/zinc/94/09/77/556940977.db2.gz PMPCHCMNDWOJKY-ZRGSRPPYSA-N 0 0 436.968 5.280 40 30 IKEBRN C#CCOc1c(CC=C)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409066805 556942173 /nfs/dbraw/zinc/94/21/73/556942173.db2.gz COQMVZNEOSBEEW-VULFUBBASA-N 0 0 447.413 5.199 40 30 IKEBRN C=CCc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(OCC)c1OC ZINC000409068355 556942644 /nfs/dbraw/zinc/94/26/44/556942644.db2.gz IMHCYFLZGODTLW-UHFFFAOYSA-N 0 0 435.564 5.256 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc32)C1=O ZINC000409068566 556942891 /nfs/dbraw/zinc/94/28/91/556942891.db2.gz UHUPPPCJQFBNFZ-OEAKJJBVSA-N 0 0 426.497 5.513 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccc(O)c3)c2C(=O)NCc2ccco2)C1 ZINC000409076898 556944289 /nfs/dbraw/zinc/94/42/89/556944289.db2.gz COBHTZGLJKQMOC-PZLUAEMBSA-N 0 0 436.577 5.878 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC ZINC000409076912 556944304 /nfs/dbraw/zinc/94/43/04/556944304.db2.gz COXBTQBVCWOCRW-QNGOZBTKSA-N 0 0 442.902 5.195 40 30 IKEBRN O=[N+]([O-])c1cccnc1N=NCc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000409070833 556944965 /nfs/dbraw/zinc/94/49/65/556944965.db2.gz MEGUWZUGAIGDLP-OPEKNORGSA-N 0 0 440.290 5.746 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)C1=O ZINC000409070443 556945019 /nfs/dbraw/zinc/94/50/19/556945019.db2.gz XPHLCAMJRFPXBF-DEDYPNTBSA-N 0 0 443.952 5.848 40 30 IKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc(Cl)c1OCC ZINC000409071021 556945301 /nfs/dbraw/zinc/94/53/01/556945301.db2.gz PSXNBQPHVZPQIJ-AUEPDCJTSA-N 0 0 431.798 5.510 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 ZINC000409072983 556946461 /nfs/dbraw/zinc/94/64/61/556946461.db2.gz UMAHYZHKKNBNEF-ZMOGYAJESA-N 0 0 449.359 5.193 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000409080203 556947199 /nfs/dbraw/zinc/94/71/99/556947199.db2.gz MUSMHZLOEFKYQG-ZDLGFXPLSA-N 0 0 442.273 6.056 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1N1CCCC1 ZINC000409080936 556947390 /nfs/dbraw/zinc/94/73/90/556947390.db2.gz OOTKWKOFDDGAPL-LQKURTRISA-N 0 0 447.604 5.809 40 30 IKEBRN Cc1ccc(COc2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2)cc1 ZINC000409082410 556947875 /nfs/dbraw/zinc/94/78/75/556947875.db2.gz PWYXIVDYLAXDFW-MMQHPSSSSA-N 0 0 442.628 7.409 40 30 IKEBRN Cc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409082568 556947881 /nfs/dbraw/zinc/94/78/81/556947881.db2.gz MMRLZRWOHKDEDF-RYUOLSIBSA-N 0 0 434.605 6.481 40 30 IKEBRN CC(C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c2ccccc12 ZINC000409083087 556948054 /nfs/dbraw/zinc/94/80/54/556948054.db2.gz UTXAXDUEPHTONW-ZNUIVASASA-N 0 0 430.617 7.462 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3c(OCC#N)ccc4ccccc43)sc2C1 ZINC000409083899 556948098 /nfs/dbraw/zinc/94/80/98/556948098.db2.gz WLNAQURZTNQAIX-DSWROXKMSA-N 0 0 427.573 6.577 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccccc3OCc3ccccc3)sc2C1 ZINC000409083609 556948169 /nfs/dbraw/zinc/94/81/69/556948169.db2.gz VKTDYRDDSBRTBC-YJLDXCOUSA-N 0 0 428.601 7.100 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C\c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2C1 ZINC000409078705 556948923 /nfs/dbraw/zinc/94/89/23/556948923.db2.gz HXPSVQBNYXJUMF-QVMKDISWSA-N 0 0 436.581 6.030 40 30 IKEBRN C=CCOc1cc(Br)c(C=NNc2ccc(C(F)(F)F)cn2)cc1OCC ZINC000409092421 556949236 /nfs/dbraw/zinc/94/92/36/556949236.db2.gz XXYPZLKZJZEDHN-YSURURNPSA-N 0 0 444.251 5.272 40 30 IKEBRN Cc1cccc(COc2c(Cl)cc(CN=Nc3ncccc3[N+](=O)[O-])cc2Cl)c1 ZINC000409094449 556950103 /nfs/dbraw/zinc/95/01/03/556950103.db2.gz DETNCRBKLGFBSO-BHGWPJFGSA-N 0 0 431.279 5.630 40 30 IKEBRN Cc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)n1-c1cccc(C)c1 ZINC000409087697 556950887 /nfs/dbraw/zinc/95/08/87/556950887.db2.gz ZIGVLWUMWSEGIP-YGDLGDLOSA-N 0 0 429.633 7.237 40 30 IKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409088569 556951170 /nfs/dbraw/zinc/95/11/70/556951170.db2.gz KPKILYUDZFWZOK-IWIPYMOSSA-N 0 0 427.500 5.862 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1c[nH]c2ccc(Br)cc12 ZINC000409091471 556951781 /nfs/dbraw/zinc/95/17/81/556951781.db2.gz USEGPZIZPIMTDC-GZIVZEMBSA-N 0 0 427.180 5.303 40 30 IKEBRN Cc1cccc(COc2ccc(Br)cc2CN=Nc2ncccc2[N+](=O)[O-])c1 ZINC000409103939 556952546 /nfs/dbraw/zinc/95/25/46/556952546.db2.gz HTRPCDOHZRHFEE-FSJBWODESA-N 0 0 441.285 5.086 40 30 IKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(F)cc1 ZINC000409099127 556954359 /nfs/dbraw/zinc/95/43/59/556954359.db2.gz QNMWNSXQMXAREC-KVSWJAHQSA-N 0 0 433.405 5.663 40 30 IKEBRN COc1cccc(Oc2ccc(/N=C/c3cc(OC)c(N4CCCC4)cc3OC)cc2)c1 ZINC000409099488 556954642 /nfs/dbraw/zinc/95/46/42/556954642.db2.gz SYYAPVAIVJFICT-OVVQPSECSA-N 0 0 432.520 5.856 40 30 IKEBRN COC(=O)c1ccccc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000409099934 556955017 /nfs/dbraw/zinc/95/50/17/556955017.db2.gz RXASNCQWYZKKKA-BHGWPJFGSA-N 0 0 433.342 5.106 40 30 IKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1F ZINC000409102711 556956313 /nfs/dbraw/zinc/95/63/13/556956313.db2.gz ZIWPUFALHXAIAC-BRJLIKDPSA-N 0 0 444.850 5.206 40 30 IKEBRN CN1c2ccccc2/C(=N/c2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)C1=O ZINC000409110592 556957322 /nfs/dbraw/zinc/95/73/22/556957322.db2.gz WXYUWMXYDXUJJD-MEFGMAGPSA-N 0 0 449.963 5.630 40 30 IKEBRN C#CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1Br ZINC000409109936 556957352 /nfs/dbraw/zinc/95/73/52/556957352.db2.gz OEHYVQGUWGGEKV-UHFFFAOYSA-N 0 0 443.566 5.798 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(Cl)c1 ZINC000409110045 556957363 /nfs/dbraw/zinc/95/73/63/556957363.db2.gz QFFHDCNJZGODOD-UHFFFAOYSA-N 0 0 445.582 6.350 40 30 IKEBRN C=CCc1cc(CNc2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409110677 556957638 /nfs/dbraw/zinc/95/76/38/556957638.db2.gz XSHCKXQFAYXGTJ-UHFFFAOYSA-N 0 0 435.539 6.543 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1Br ZINC000409111653 556957879 /nfs/dbraw/zinc/95/78/79/556957879.db2.gz DRGBLJWIOHPQRI-UHFFFAOYSA-N 0 0 425.164 5.951 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1cccc(F)c1 ZINC000409111964 556957895 /nfs/dbraw/zinc/95/78/95/556957895.db2.gz AZRWAFHUUIUJLM-UHFFFAOYSA-N 0 0 425.931 6.716 40 30 IKEBRN COc1cc2c(cc1/C=C1/SC(=Nc3ccccc3)N(Cc3ccccc3)C1=O)OCO2 ZINC000409105709 556958598 /nfs/dbraw/zinc/95/85/98/556958598.db2.gz NYTCDCBADJNMBX-WCWWUIGKSA-N 0 0 444.512 5.228 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(Cc2cccnc2)C1=O ZINC000409105946 556958939 /nfs/dbraw/zinc/95/89/39/556958939.db2.gz KENKTVLPMAYWTL-NEAWXCLQSA-N 0 0 449.963 5.938 40 30 IKEBRN O=[N+]([O-])c1ccc(Oc2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)nc1 ZINC000409107269 556959066 /nfs/dbraw/zinc/95/90/66/556959066.db2.gz QLXPTQGCUYOYRZ-YSURURNPSA-N 0 0 447.329 5.155 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1Br ZINC000409116792 556960131 /nfs/dbraw/zinc/96/01/31/556960131.db2.gz LHJNCMXCYLFEJE-UHFFFAOYSA-N 0 0 441.163 5.787 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1Br ZINC000409118085 556960363 /nfs/dbraw/zinc/96/03/63/556960363.db2.gz OTQJQCGETPLNFQ-UHFFFAOYSA-N 0 0 425.164 6.005 40 30 IKEBRN COC(=O)c1ccc(/N=C\c2ccc(Sc3ccccc3NC(C)=O)c([N+](=O)[O-])c2)cc1 ZINC000409120694 556961244 /nfs/dbraw/zinc/96/12/44/556961244.db2.gz VSVQRYGKDSRMSV-OYKKKHCWSA-N 0 0 449.488 5.242 40 30 IKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409120594 556961316 /nfs/dbraw/zinc/96/13/16/556961316.db2.gz RBPVFZZEVANHIW-UHFFFAOYSA-N 0 0 432.520 6.085 40 30 IKEBRN C#CCN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3c2cccc3CC)C1=O ZINC000409125895 556965136 /nfs/dbraw/zinc/96/51/36/556965136.db2.gz AELYHUBPLNREQQ-BKUYFWCQSA-N 0 0 434.948 5.575 40 30 IKEBRN CCN1c2ccccc2/C(=N\c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)C1=O ZINC000409140567 556972136 /nfs/dbraw/zinc/97/21/36/556972136.db2.gz JEKRIYLDASFURI-WEMUOSSPSA-N 0 0 443.572 5.675 40 30 IKEBRN C#CCOc1c(Cl)cc(C[C@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409142177 556972774 /nfs/dbraw/zinc/97/27/74/556972774.db2.gz RRRVILOWDZYCKO-MRXNPFEDSA-N 0 0 440.735 5.470 40 30 IKEBRN Cc1oc(/N=C/c2ccc(OCc3ccccc3C#N)c(Br)c2)c(C#N)c1C ZINC000409159880 556974409 /nfs/dbraw/zinc/97/44/09/556974409.db2.gz BBGVWKWWEAJFBM-RPPGKUMJSA-N 0 0 434.293 5.732 40 30 IKEBRN CCOC(=O)c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(C)C3=O)o2)c1 ZINC000409151041 556974989 /nfs/dbraw/zinc/97/49/89/556974989.db2.gz FXCZXOYCNPRCOL-KWZOLKRCSA-N 0 0 432.501 5.357 40 30 IKEBRN O=C1[C@H]2[C@@H](C(=O)N1/N=C/c1cccc3ccccc13)C1c3ccccc3C2c2ccccc21 ZINC000409146016 556976929 /nfs/dbraw/zinc/97/69/29/556976929.db2.gz RLGLLLIWBZFXRT-DVKISJPDSA-N 0 0 428.491 5.066 40 30 IKEBRN Clc1ccc(Cl)c(C=NN=c2nc3[nH]onc-3nc2Nc2ccccc2Cl)c1 ZINC000015162342 556978650 /nfs/dbraw/zinc/97/86/50/556978650.db2.gz JQDDEBBGVITEJF-ODCIPOBUSA-N 0 0 434.674 5.163 40 30 IKEBRN CCOC(=O)c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccccc4)N(CC)C3=O)o2)c1 ZINC000409156699 556979874 /nfs/dbraw/zinc/97/98/74/556979874.db2.gz GSHITPKGVPJNNG-SFFUPWIKSA-N 0 0 446.528 5.747 40 30 IKEBRN COc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(Cl)c1OC(C)C ZINC000409166295 556980162 /nfs/dbraw/zinc/98/01/62/556980162.db2.gz CVTARCJICIOQGD-VXLYETTFSA-N 0 0 442.924 5.244 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccccc2Sc2ccccc2)C1=O ZINC000409169213 556982107 /nfs/dbraw/zinc/98/21/07/556982107.db2.gz VSIASXUGQQGHNK-HMAPJEAMSA-N 0 0 428.538 5.946 40 30 IKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)o1 ZINC000409172376 556985723 /nfs/dbraw/zinc/98/57/23/556985723.db2.gz GDKGUNZVVWRXSB-SRZZPIQSSA-N 0 0 445.456 5.271 40 30 IKEBRN C=CCOc1c(I)cc(CNc2ccc(Cl)cc2)cc1OCC ZINC000409177034 556986261 /nfs/dbraw/zinc/98/62/61/556986261.db2.gz BFLRJUXPNYSOTL-UHFFFAOYSA-N 0 0 443.712 5.520 40 30 IKEBRN C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc1OC ZINC000409177419 556986412 /nfs/dbraw/zinc/98/64/12/556986412.db2.gz AFUZGCNWSFGQIR-VCHYOVAHSA-N 0 0 435.929 5.458 40 30 IKEBRN CCCCCCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)nc3ccc(C)cc32)cc1 ZINC000409177736 556986583 /nfs/dbraw/zinc/98/65/83/556986583.db2.gz IFRGCDIFECBSHW-UHFFFAOYSA-N 0 0 437.587 7.571 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)c2C)cc1 ZINC000409187698 556988274 /nfs/dbraw/zinc/98/82/74/556988274.db2.gz TYLHJBOHBRGCAX-VUTHCHCSSA-N 0 0 440.543 7.044 40 30 IKEBRN C#CCOc1c(Br)cc(Br)cc1CNc1ccccc1Cl ZINC000409174346 556989316 /nfs/dbraw/zinc/98/93/16/556989316.db2.gz SNWZYRSJFXDCNI-UHFFFAOYSA-N 0 0 429.539 5.489 40 30 IKEBRN CC(C)c1ccc(/C=N/N2C(=O)CN(Cc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 ZINC000409183081 556990272 /nfs/dbraw/zinc/99/02/72/556990272.db2.gz ACZRLJWQUSKXAD-IOUPCVQUSA-N 0 0 439.603 6.311 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=N/c3ccc(Br)c(Cl)c3)c2C)cc1 ZINC000409186548 556991126 /nfs/dbraw/zinc/99/11/26/556991126.db2.gz DPLAFVICIJDSNZ-ZMOGYAJESA-N 0 0 431.761 6.659 40 30 IKEBRN O=S(=O)(N/N=C\c1ccc(Sc2ccc(Cl)cc2)o1)c1ccc2ccccc2c1 ZINC000409186661 556991208 /nfs/dbraw/zinc/99/12/08/556991208.db2.gz GEEQLTVHCFCJMT-UCQKPKSFSA-N 0 0 442.949 5.550 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1Cl ZINC000409199066 556993452 /nfs/dbraw/zinc/99/34/52/556993452.db2.gz BGEXXWPTSBDLER-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CC(C)(C)N(C=C(Cl)Cl)C(=O)Oc1ccccc1/C=N/c1ccc(Cl)cc1 ZINC000409194746 556993463 /nfs/dbraw/zinc/99/34/63/556993463.db2.gz QNSMZNAIBMCJLH-WYMPLXKRSA-N 0 0 425.743 6.966 40 30 IKEBRN c1sc(N=NCc2cccc(OCc3cccc4ccccc43)c2)nc1-c1ccccc1 ZINC000409176084 556993546 /nfs/dbraw/zinc/99/35/46/556993546.db2.gz GWFYSOYMWDLBOS-OGLMXYFKSA-N 0 0 435.552 6.988 40 30 IKEBRN Cc1ccccc1/N=C/c1cc(Br)ccc1OS(=O)(=O)c1ccccc1 ZINC000409198957 556993665 /nfs/dbraw/zinc/99/36/65/556993665.db2.gz AOPDNQYRYCJKAS-HYARGMPZSA-N 0 0 430.323 5.276 40 30 IKEBRN C=CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N\c1ccc(Cl)cc1 ZINC000020161096 556993655 /nfs/dbraw/zinc/99/36/55/556993655.db2.gz PZUUMDLVERTDDA-BJUXRVGASA-N 0 0 434.348 5.140 40 30 IKEBRN C=CCOc1c(Br)cc(-c2nc3ccccc3s2)cc1Br ZINC000409195812 556993942 /nfs/dbraw/zinc/99/39/42/556993942.db2.gz WCHZGTBQDRSAOM-UHFFFAOYSA-N 0 0 425.145 6.053 40 30 IKEBRN COc1ccc(CN/N=C/c2cccc(OCc3cccc4ccccc43)c2)cc1OC ZINC000020196095 556996851 /nfs/dbraw/zinc/99/68/51/556996851.db2.gz YQJDHKRXZXEFDH-OGLMXYFKSA-N 0 0 426.516 5.560 40 30 IKEBRN COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC ZINC000020196319 556997126 /nfs/dbraw/zinc/99/71/26/556997126.db2.gz GLLVSCPCEXUWPP-MZJWZYIUSA-N 0 0 445.346 5.713 40 30 IKEBRN COc1ccc(CN/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1OC ZINC000020196385 556997183 /nfs/dbraw/zinc/99/71/83/556997183.db2.gz JWPWGKLTTXNKHC-LGJNPRDNSA-N 0 0 445.346 5.713 40 30 IKEBRN COc1ccc(CN/N=C/c2c(C)n(Cc3cccc(C#N)c3)c3ccccc23)cc1OC ZINC000020196656 556997345 /nfs/dbraw/zinc/99/73/45/556997345.db2.gz KHPGFPICECQRII-OCSSWDANSA-N 0 0 438.531 5.011 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccccc2/C=N/c2cc(Cl)ccc2C)cc1Cl ZINC000409208724 556997792 /nfs/dbraw/zinc/99/77/92/556997792.db2.gz CURYGFWGGVAILZ-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c1 ZINC000409209179 556998231 /nfs/dbraw/zinc/99/82/31/556998231.db2.gz HNNNSWNSSSOPMO-UVHMKAGCSA-N 0 0 441.358 6.687 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2cccc(Cl)c2C)cc1 ZINC000409199275 556998539 /nfs/dbraw/zinc/99/85/39/556998539.db2.gz BFEPKOWXYTUROL-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409199960 556999174 /nfs/dbraw/zinc/99/91/74/556999174.db2.gz GANSHNBODQBONQ-STBIYBPSSA-N 0 0 445.946 7.230 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409200182 556999590 /nfs/dbraw/zinc/99/95/90/556999590.db2.gz HHRRXYYRKQSOHG-DHRITJCHSA-N 0 0 445.302 6.630 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409201395 557000562 /nfs/dbraw/zinc/00/05/62/557000562.db2.gz MRAHNERPVLAHOB-STBIYBPSSA-N 0 0 429.947 7.530 40 30 IKEBRN Clc1ccc(COc2ccccc2/C=N/c2ccc(Oc3ccccc3)cc2)c(Cl)c1 ZINC000409202350 557001302 /nfs/dbraw/zinc/00/13/02/557001302.db2.gz PYWKYRCDIYTTLW-STBIYBPSSA-N 0 0 448.349 8.115 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409202707 557001868 /nfs/dbraw/zinc/00/18/68/557001868.db2.gz UCDCQNZBSWVAJL-FSJBWODESA-N 0 0 441.827 6.016 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409203336 557002372 /nfs/dbraw/zinc/00/23/72/557002372.db2.gz XGCFGOWXSHYDEK-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409209536 557003836 /nfs/dbraw/zinc/00/38/36/557003836.db2.gz CGJKUYGQXASGDK-AFUMVMLFSA-N 0 0 448.371 6.383 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)c1 ZINC000409209690 557004124 /nfs/dbraw/zinc/00/41/24/557004124.db2.gz HURNRNOFDGTLMJ-OEAKJJBVSA-N 0 0 444.350 5.584 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409209717 557004164 /nfs/dbraw/zinc/00/41/64/557004164.db2.gz HZKLOJQSXXVGIL-MZJWZYIUSA-N 0 0 436.939 6.042 40 30 IKEBRN COc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409209980 557004244 /nfs/dbraw/zinc/00/42/44/557004244.db2.gz HLCVEJXKUSBAAK-WSDLNYQXSA-N 0 0 427.800 5.708 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000409209981 557004257 /nfs/dbraw/zinc/00/42/57/557004257.db2.gz HNAAKIMPCGQJLD-RPPGKUMJSA-N 0 0 447.749 6.723 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000409210294 557004834 /nfs/dbraw/zinc/00/48/34/557004834.db2.gz JVUAKXMGMOQSRE-LGJNPRDNSA-N 0 0 434.750 7.375 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc32)c1C ZINC000409210366 557004850 /nfs/dbraw/zinc/00/48/50/557004850.db2.gz KLWKFDDWRFWLGT-LQKURTRISA-N 0 0 444.372 7.549 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccc(C)c(Cl)c2)c1 ZINC000409210541 557005062 /nfs/dbraw/zinc/00/50/62/557005062.db2.gz JJPAUJPYHCFSDR-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000409210867 557005374 /nfs/dbraw/zinc/00/53/74/557005374.db2.gz HGIGNYJWFQMDBM-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1 ZINC000409211013 557005671 /nfs/dbraw/zinc/00/56/71/557005671.db2.gz LUFVQEPLPONZOM-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409211623 557006116 /nfs/dbraw/zinc/00/61/16/557006116.db2.gz MDTDUBXOIDCGNJ-AFUMVMLFSA-N 0 0 444.756 6.831 40 30 IKEBRN O=S(=O)(Oc1c(Cl)cc(/C=N/c2ccccc2)cc1Cl)c1ccc(Cl)cc1 ZINC000409211681 557006422 /nfs/dbraw/zinc/00/64/22/557006422.db2.gz MQKOUPPIUOTJHZ-FSJBWODESA-N 0 0 440.735 6.165 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409212231 557006883 /nfs/dbraw/zinc/00/68/83/557006883.db2.gz OCVZBBOVERBQDG-UXHLAJHPSA-N 0 0 443.974 7.784 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000409212344 557006908 /nfs/dbraw/zinc/00/69/08/557006908.db2.gz QDFJHKPZNGACHA-LGJNPRDNSA-N 0 0 434.750 7.375 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 ZINC000409213166 557007619 /nfs/dbraw/zinc/00/76/19/557007619.db2.gz OVWRBBDSKPLFCO-JFLMPSFJSA-N 0 0 444.358 7.120 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409213653 557008107 /nfs/dbraw/zinc/00/81/07/557008107.db2.gz UGPKRJOJRXVYLS-VULFUBBASA-N 0 0 438.911 6.593 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 ZINC000409213573 557008144 /nfs/dbraw/zinc/00/81/44/557008144.db2.gz SFMZOZMRBNVJKC-AFUMVMLFSA-N 0 0 428.757 6.995 40 30 IKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(Cl)c1 ZINC000409214384 557008888 /nfs/dbraw/zinc/00/88/88/557008888.db2.gz STRIPKWPBYYXLT-UFFVCSGVSA-N 0 0 441.550 5.936 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)cc(I)c1OCc1ccccc1 ZINC000409214464 557008926 /nfs/dbraw/zinc/00/89/26/557008926.db2.gz VJPZEIDIMADXFW-OEAKJJBVSA-N 0 0 443.284 5.629 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409214881 557009476 /nfs/dbraw/zinc/00/94/76/557009476.db2.gz VCVKXPDPDBIJMJ-MZJWZYIUSA-N 0 0 436.939 6.042 40 30 IKEBRN C=CCc1cc(/C=C2/NC(=O)N(C)C2=O)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409191556 557009988 /nfs/dbraw/zinc/00/99/88/557009988.db2.gz ZANOYCJLUYALHK-HZHRSRAPSA-N 0 0 442.515 5.069 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409215183 557009997 /nfs/dbraw/zinc/00/99/97/557009997.db2.gz XZELBSOVLMKYAU-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1C ZINC000409215235 557010004 /nfs/dbraw/zinc/01/00/04/557010004.db2.gz VWFQVYLSQLFGAN-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 ZINC000409215680 557010460 /nfs/dbraw/zinc/01/04/60/557010460.db2.gz DKFYUOMAAVGYCN-BUVRLJJBSA-N 0 0 429.925 5.429 40 30 IKEBRN COc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)c2C)cc1 ZINC000409216107 557010931 /nfs/dbraw/zinc/01/09/31/557010931.db2.gz DZKKWVXLAOPKGG-WSKALFDJSA-N 0 0 445.632 6.938 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000409216099 557010963 /nfs/dbraw/zinc/01/09/63/557010963.db2.gz IAXLYDAOXZNNMH-BUVRLJJBSA-N 0 0 429.925 5.429 40 30 IKEBRN Cc1nc2ccccc2c(=O)n1/N=C/c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409216302 557011220 /nfs/dbraw/zinc/01/12/20/557011220.db2.gz GTTBOLBQIZYAHA-OCSSWDANSA-N 0 0 442.522 5.743 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000409216568 557011351 /nfs/dbraw/zinc/01/13/51/557011351.db2.gz JJMODQDRTRYRLN-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1C(C)C ZINC000409216516 557011425 /nfs/dbraw/zinc/01/14/25/557011425.db2.gz ITRFYGNZZGARHC-CXDOZEDNSA-N 0 0 433.371 5.798 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(C)c(C)c2)cc1Br ZINC000409216631 557011704 /nfs/dbraw/zinc/01/17/04/557011704.db2.gz KEWQWKRBEFTTES-SRZZPIQSSA-N 0 0 425.164 6.368 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409217115 557012084 /nfs/dbraw/zinc/01/20/84/557012084.db2.gz RWMQWACYGPFISX-VULFUBBASA-N 0 0 438.911 6.593 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000409217095 557012093 /nfs/dbraw/zinc/01/20/93/557012093.db2.gz RNBXRNRJEFLBAE-AFUMVMLFSA-N 0 0 444.756 6.831 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2cccc3ccccc32)C(=O)N1C(C)C ZINC000409217422 557012283 /nfs/dbraw/zinc/01/22/83/557012283.db2.gz UPBOOMCJTYQHHN-PIINERKHSA-N 0 0 444.600 6.508 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Br)c1OC ZINC000409217791 557012380 /nfs/dbraw/zinc/01/23/80/557012380.db2.gz WPOLJDCBJHNJCG-BUVRLJJBSA-N 0 0 426.310 6.399 40 30 IKEBRN CCOc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1C ZINC000409217814 557012430 /nfs/dbraw/zinc/01/24/30/557012430.db2.gz WWGWRGHMLXKLDX-AWQFTUOYSA-N 0 0 431.555 6.323 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1 ZINC000409218202 557012573 /nfs/dbraw/zinc/01/25/73/557012573.db2.gz ZEMXJKOMECVDRH-JFLMPSFJSA-N 0 0 444.358 7.120 40 30 IKEBRN C#CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Br ZINC000409218369 557012652 /nfs/dbraw/zinc/01/26/52/557012652.db2.gz UQTWPNABMUINLD-UFFVCSGVSA-N 0 0 441.550 5.936 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 ZINC000409199316 557012943 /nfs/dbraw/zinc/01/29/43/557012943.db2.gz CGHHNIJHEXLQIQ-JFLMPSFJSA-N 0 0 427.903 6.606 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409200104 557013010 /nfs/dbraw/zinc/01/30/10/557013010.db2.gz GPJPULCZFMQPRI-BUVRLJJBSA-N 0 0 429.925 5.565 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1F ZINC000409199158 557013023 /nfs/dbraw/zinc/01/30/23/557013023.db2.gz BQMVXKCKTFZXID-UVHMKAGCSA-N 0 0 432.322 7.169 40 30 IKEBRN CCc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc32)cc1 ZINC000409219389 557013106 /nfs/dbraw/zinc/01/31/06/557013106.db2.gz PVTMDMISABYCHC-WGOQTCKBSA-N 0 0 441.443 6.762 40 30 IKEBRN Cc1cccc(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc32)c1C ZINC000409219489 557013120 /nfs/dbraw/zinc/01/31/20/557013120.db2.gz RBEYHKITUKDFFO-JVWAILMASA-N 0 0 449.959 6.628 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(F)cc1 ZINC000409199831 557013398 /nfs/dbraw/zinc/01/33/98/557013398.db2.gz DOPDVAVQWVHBQD-NDZAJKAJSA-N 0 0 441.502 7.346 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409199907 557013528 /nfs/dbraw/zinc/01/35/28/557013528.db2.gz FOAAWMSNOQEWEE-WSDLNYQXSA-N 0 0 427.800 5.708 40 30 IKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1cc(C)ccc1C ZINC000409202642 557013699 /nfs/dbraw/zinc/01/36/99/557013699.db2.gz SMAHBZUFNNZWKH-SRZZPIQSSA-N 0 0 425.164 6.368 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409200664 557013752 /nfs/dbraw/zinc/01/37/52/557013752.db2.gz JKANEJBBJTWHBX-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409202545 557013854 /nfs/dbraw/zinc/01/38/54/557013854.db2.gz RFJVUSWPWULDIU-OCSSWDANSA-N 0 0 443.974 7.838 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409202475 557013876 /nfs/dbraw/zinc/01/38/76/557013876.db2.gz QYXBWXOGVASKGZ-YDZHTSKRSA-N 0 0 441.827 6.098 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccc(Br)cc2/C=N/c2ccccc2C)c1 ZINC000409200854 557013997 /nfs/dbraw/zinc/01/39/97/557013997.db2.gz JRJWQRKPBTXLRX-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)c(C)c1 ZINC000409201243 557014391 /nfs/dbraw/zinc/01/43/91/557014391.db2.gz KTRJEQASUXSJPR-UVHMKAGCSA-N 0 0 441.358 6.687 40 30 IKEBRN CCCCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1OCC ZINC000409201837 557014654 /nfs/dbraw/zinc/01/46/54/557014654.db2.gz OEKWFAHKHCLHAB-XTFCHBONSA-N 0 0 438.637 7.099 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)c(C)c1 ZINC000409202094 557014725 /nfs/dbraw/zinc/01/47/25/557014725.db2.gz OUXMATRALNPWFS-UVHMKAGCSA-N 0 0 441.358 6.687 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409228618 557015271 /nfs/dbraw/zinc/01/52/71/557015271.db2.gz BOPULOHZQLQREK-FVGZADTASA-N 0 0 447.579 6.474 40 30 IKEBRN CCc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc32)cc1 ZINC000409203808 557015289 /nfs/dbraw/zinc/01/52/89/557015289.db2.gz YXTTTWFYFXOVCY-WPWMEQJKSA-N 0 0 449.959 6.574 40 30 IKEBRN CCOC(=O)c1c(/N=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)sc2c1CCCC2 ZINC000409202810 557015551 /nfs/dbraw/zinc/01/55/51/557015551.db2.gz SNBMUAGORWXHLA-CVKSISIWSA-N 0 0 436.577 5.970 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409202913 557015797 /nfs/dbraw/zinc/01/57/97/557015797.db2.gz UGNJFARSJKBDJX-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3ccc(C)cc3C)cc2Cl)cc1 ZINC000409208136 557018305 /nfs/dbraw/zinc/01/83/05/557018305.db2.gz BFLJZNYINOHTCU-DHRITJCHSA-N 0 0 448.371 6.437 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409208318 557018567 /nfs/dbraw/zinc/01/85/67/557018567.db2.gz AOQRAGWGFHFTRA-RPPGKUMJSA-N 0 0 434.801 7.118 40 30 IKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(Br)cc1O ZINC000409208207 557018615 /nfs/dbraw/zinc/01/86/15/557018615.db2.gz AHVIUOXLWDPBCM-DDFZXGMKSA-N 0 0 447.398 5.998 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 ZINC000409207950 557019453 /nfs/dbraw/zinc/01/94/53/557019453.db2.gz DGAUSFDERIFFID-JFLMPSFJSA-N 0 0 444.358 7.120 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409237793 557019540 /nfs/dbraw/zinc/01/95/40/557019540.db2.gz JMXKBGRBNABJCP-LMDBJESCSA-N 0 0 447.354 5.090 40 30 IKEBRN Cc1ccccc1/N=C/c1c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc2ccccc21 ZINC000409209306 557019672 /nfs/dbraw/zinc/01/96/72/557019672.db2.gz IVGWSVCFWIXNBO-MFKUBSTISA-N 0 0 427.416 6.508 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409209405 557019778 /nfs/dbraw/zinc/01/97/78/557019778.db2.gz GSMMIMBKAGRTFD-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN C#CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OCC)cc1 ZINC000409209391 557019835 /nfs/dbraw/zinc/01/98/35/557019835.db2.gz FBYGSTJVDQRUIM-CIAFOILYSA-N 0 0 437.131 5.373 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409208677 557019958 /nfs/dbraw/zinc/01/99/58/557019958.db2.gz DOKVWYUQOIRGMY-CVKSISIWSA-N 0 0 438.911 6.539 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 ZINC000409208615 557019974 /nfs/dbraw/zinc/01/99/74/557019974.db2.gz DCZVNORRYHYTQL-AFUMVMLFSA-N 0 0 444.756 6.831 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409208595 557020008 /nfs/dbraw/zinc/02/00/08/557020008.db2.gz CZNVZABEPCYMEZ-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccccc3)cc2Br)cc1 ZINC000409208660 557020107 /nfs/dbraw/zinc/02/01/07/557020107.db2.gz DNLMQVMTZBKPET-HYARGMPZSA-N 0 0 430.323 5.276 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409208926 557020114 /nfs/dbraw/zinc/02/01/14/557020114.db2.gz DIQYKOABXGNGNV-UVHMKAGCSA-N 0 0 432.322 7.169 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409208647 557020121 /nfs/dbraw/zinc/02/01/21/557020121.db2.gz DKDDDGKSWHTNHH-MZJWZYIUSA-N 0 0 436.939 6.042 40 30 IKEBRN CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Br)cc2)C2=C1CC(C)(C)CC2=O ZINC000409209160 557020308 /nfs/dbraw/zinc/02/03/08/557020308.db2.gz HKLVMSNOZVCTNK-UHFFFAOYSA-N 0 0 442.397 5.765 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c1 ZINC000409209174 557020327 /nfs/dbraw/zinc/02/03/27/557020327.db2.gz GPTGCLNQOQXWKS-FSJBWODESA-N 0 0 425.828 6.316 40 30 IKEBRN Cc1ccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)cc1C ZINC000409209176 557020399 /nfs/dbraw/zinc/02/03/99/557020399.db2.gz HNLXIKYJRNXVJQ-LQKURTRISA-N 0 0 444.372 7.549 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000409209014 557020404 /nfs/dbraw/zinc/02/04/04/557020404.db2.gz FBJMRYHGDMTMER-VULFUBBASA-N 0 0 430.331 6.730 40 30 IKEBRN CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(N3CCCC3)cc2)C2=C1CC(C)(C)CC2=O ZINC000409210681 557020896 /nfs/dbraw/zinc/02/08/96/557020896.db2.gz KPKKIMFYOVSGCF-UHFFFAOYSA-N 0 0 432.608 5.602 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)N1C(C)C ZINC000409210614 557020927 /nfs/dbraw/zinc/02/09/27/557020927.db2.gz LSWSDIJFBVPHAJ-HFYOLELGSA-N 0 0 433.917 5.597 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 ZINC000409211384 557022739 /nfs/dbraw/zinc/02/27/39/557022739.db2.gz NBIUELWIVCGKHU-RPPGKUMJSA-N 0 0 447.749 6.723 40 30 IKEBRN C(=NN=c1[nH]c2ccccc2s1)c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000409211023 557023265 /nfs/dbraw/zinc/02/32/65/557023265.db2.gz KFRQOEHOPJJBET-NTFVMDSBSA-N 0 0 432.552 6.899 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000409211545 557025324 /nfs/dbraw/zinc/02/53/24/557025324.db2.gz NVIKJNNIDIEYGQ-BUVRLJJBSA-N 0 0 429.925 5.565 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cc(OC)c1O ZINC000409211888 557025555 /nfs/dbraw/zinc/02/55/55/557025555.db2.gz PBQDNKSPPAVERN-MFOYZWKCSA-N 0 0 435.929 5.328 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409212395 557025944 /nfs/dbraw/zinc/02/59/44/557025944.db2.gz LVUBRQLMQWJASQ-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)ccc1OCC(C)C ZINC000409212591 557026169 /nfs/dbraw/zinc/02/61/69/557026169.db2.gz NGUKWDJFYREBCW-RGKQAONTSA-N 0 0 438.637 6.955 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1 ZINC000409212492 557026263 /nfs/dbraw/zinc/02/62/63/557026263.db2.gz MSPGOHCSABKSAV-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O ZINC000409212438 557026324 /nfs/dbraw/zinc/02/63/24/557026324.db2.gz MHQCXZWSFRAMKV-SOFYXZRVSA-N 0 0 434.260 5.010 40 30 IKEBRN Cc1cccc(COc2ccc(/C=N\c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)cc2)c1 ZINC000409212623 557026330 /nfs/dbraw/zinc/02/63/30/557026330.db2.gz RPQZLYZXEHDMAJ-ABGRQMIASA-N 0 0 442.628 7.409 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1 ZINC000409213422 557026572 /nfs/dbraw/zinc/02/65/72/557026572.db2.gz UUTWPDRFVQWPPQ-VULFUBBASA-N 0 0 438.365 6.713 40 30 IKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409213464 557026866 /nfs/dbraw/zinc/02/68/66/557026866.db2.gz VRGOZEXLRHCJSZ-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1C ZINC000409212803 557026896 /nfs/dbraw/zinc/02/68/96/557026896.db2.gz RICOYPSHGKGVHA-UFFVCSGVSA-N 0 0 445.582 6.713 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409213315 557027094 /nfs/dbraw/zinc/02/70/94/557027094.db2.gz UETMUKMRMMFZBL-JFLMPSFJSA-N 0 0 436.939 6.124 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409213300 557027138 /nfs/dbraw/zinc/02/71/38/557027138.db2.gz UHEXDWKPFZENML-VULFUBBASA-N 0 0 442.328 6.625 40 30 IKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409214265 557027312 /nfs/dbraw/zinc/02/73/12/557027312.db2.gz WJQKIZDRMRPLBS-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 ZINC000409213856 557027646 /nfs/dbraw/zinc/02/76/46/557027646.db2.gz UYGFYAAAYJWBET-AFUMVMLFSA-N 0 0 428.301 6.317 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1C ZINC000409214904 557028004 /nfs/dbraw/zinc/02/80/04/557028004.db2.gz VELHALDIDQDFRW-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409215412 557028231 /nfs/dbraw/zinc/02/82/31/557028231.db2.gz YIUONZKGUKGUIO-YDZHTSKRSA-N 0 0 441.827 6.098 40 30 IKEBRN Cc1cccc(NC(=O)COc2c(Cl)cc(/C=N/c3cc(C)ccc3C)cc2Cl)c1 ZINC000409215149 557028409 /nfs/dbraw/zinc/02/84/09/557028409.db2.gz ZYPXJMMAKURDBY-UVHMKAGCSA-N 0 0 441.358 6.687 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 ZINC000409214688 557029480 /nfs/dbraw/zinc/02/94/80/557029480.db2.gz ZVYBBLKKONFKRD-LGJNPRDNSA-N 0 0 434.750 7.375 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 ZINC000409217630 557029898 /nfs/dbraw/zinc/02/98/98/557029898.db2.gz QYBKSZMFXBZBAE-AFUMVMLFSA-N 0 0 444.756 6.831 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 ZINC000409215483 557029936 /nfs/dbraw/zinc/02/99/36/557029936.db2.gz ZSBGYMDRZUUSBS-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(Cl)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409249501 557030101 /nfs/dbraw/zinc/03/01/01/557030101.db2.gz ULPFDMQRMOLEEO-ZXMQTSGQSA-N 0 0 437.348 5.635 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409216229 557030454 /nfs/dbraw/zinc/03/04/54/557030454.db2.gz GKNGVGSDHOJCQZ-PCLIKHOPSA-N 0 0 443.952 5.819 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409216368 557030610 /nfs/dbraw/zinc/03/06/10/557030610.db2.gz HQWVUCNXTJZXHS-RPPGKUMJSA-N 0 0 434.801 7.118 40 30 IKEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc3ccccc32)C1=O ZINC000408530330 557030626 /nfs/dbraw/zinc/03/06/26/557030626.db2.gz KFZMMUARXLCUKX-JCMHNJIXSA-N 0 0 444.512 5.080 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1Cl ZINC000409216589 557030781 /nfs/dbraw/zinc/03/07/81/557030781.db2.gz JPPOSUDIGRWFEX-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN Cc1c(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000409216445 557030890 /nfs/dbraw/zinc/03/08/90/557030890.db2.gz IJKNKGIQDYITEY-ZPEKZKEPSA-N 0 0 449.595 6.226 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3cccc(Cl)c3C)c2)cc1Cl ZINC000409216459 557030991 /nfs/dbraw/zinc/03/09/91/557030991.db2.gz INEIRWTYUIXZAX-ZMFRSBBQSA-N 0 0 427.331 6.378 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OCc1cccc(F)c1 ZINC000408528121 557030957 /nfs/dbraw/zinc/03/09/57/557030957.db2.gz COHYFLVXRYHFGD-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN Cc1cccc(NC(=O)COc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)c1 ZINC000409216632 557031295 /nfs/dbraw/zinc/03/12/95/557031295.db2.gz MTZDDDUKQGAVJS-CEUNXORHSA-N 0 0 436.511 6.555 40 30 IKEBRN Cc1ccccc1/N=C/c1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1 ZINC000409216784 557031348 /nfs/dbraw/zinc/03/13/48/557031348.db2.gz LLZILANPMIRYBU-FOKLQQMPSA-N 0 0 446.246 6.661 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409217465 557031533 /nfs/dbraw/zinc/03/15/33/557031533.db2.gz VROBGWOWJLLGJW-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(C)c1 ZINC000409217195 557031598 /nfs/dbraw/zinc/03/15/98/557031598.db2.gz NYVNQGGERVCQRM-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN Cc1ccc(COc2cccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)c2)cc1 ZINC000408532366 557031604 /nfs/dbraw/zinc/03/16/04/557031604.db2.gz UMDGVGXJBYCAFT-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)cc1 ZINC000409217420 557031605 /nfs/dbraw/zinc/03/16/05/557031605.db2.gz UMPOIOUZQJVOCJ-YDZHTSKRSA-N 0 0 425.282 5.995 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409217338 557031650 /nfs/dbraw/zinc/03/16/50/557031650.db2.gz BMIDIWBDIZZRML-RPPGKUMJSA-N 0 0 434.801 7.118 40 30 IKEBRN CCCCOc1ccc(Br)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 ZINC000408532779 557031632 /nfs/dbraw/zinc/03/16/32/557031632.db2.gz OYEAIFRWDUJWNE-UHFFFAOYSA-N 0 0 444.369 5.329 40 30 IKEBRN Cc1ccc(COc2ccc(Cl)cc2/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 ZINC000408532656 557031652 /nfs/dbraw/zinc/03/16/52/557031652.db2.gz VBDBOOSJZWMDQX-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl ZINC000408532231 557031672 /nfs/dbraw/zinc/03/16/72/557031672.db2.gz SVUUKXSQAPSNIL-YBEGLDIGSA-N 0 0 437.735 5.550 40 30 IKEBRN N#Cc1c(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)sc2c1C1CCN2CC1 ZINC000409218106 557031904 /nfs/dbraw/zinc/03/19/04/557031904.db2.gz SPZKBLBSDAQUKJ-BRJLIKDPSA-N 0 0 431.477 5.163 40 30 IKEBRN O=C1/C(=C/c2ccc(O)cc2)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408531162 557031945 /nfs/dbraw/zinc/03/19/45/557031945.db2.gz LBWIPUZBWVDWIW-ORVWWNJKSA-N 0 0 441.339 6.508 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000409217974 557031999 /nfs/dbraw/zinc/03/19/99/557031999.db2.gz GKMGTQYCFYRTTC-STBIYBPSSA-N 0 0 429.947 7.394 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2cccc(F)c2)c(Cl)c1 ZINC000408531124 557032050 /nfs/dbraw/zinc/03/20/50/557032050.db2.gz OILKPSKNBUOHDI-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408534282 557032322 /nfs/dbraw/zinc/03/23/22/557032322.db2.gz UVJCVLZOFXCVNY-UYRXBGFRSA-N 0 0 430.957 5.728 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409218413 557032456 /nfs/dbraw/zinc/03/24/56/557032456.db2.gz UZQJGHPTFPQNGU-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)S2)cc1 ZINC000408534729 557032726 /nfs/dbraw/zinc/03/27/26/557032726.db2.gz WHYQNQMSDPNTRG-OYKKKHCWSA-N 0 0 441.531 6.029 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c(C)c1 ZINC000409218949 557033128 /nfs/dbraw/zinc/03/31/28/557033128.db2.gz LVZCFHBAEAXRSZ-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1C ZINC000409219395 557033135 /nfs/dbraw/zinc/03/31/35/557033135.db2.gz PXMWQZPWNWTPFF-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCOc1cc(C)c(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1C(C)C ZINC000409243422 557033215 /nfs/dbraw/zinc/03/32/15/557033215.db2.gz YMDVRWJCZFUECH-VBJFXANNSA-N 0 0 426.557 6.280 40 30 IKEBRN CCOc1cc(COc2c(Cl)cc(/C=N\O)cc2Cl)ccc1OCc1ccccc1 ZINC000408540523 557033357 /nfs/dbraw/zinc/03/33/57/557033357.db2.gz SVPRNSGIIIVFLX-ZMFRSBBQSA-N 0 0 446.330 6.358 40 30 IKEBRN C=CCc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(OC)c1OCc1ccc(Cl)cc1 ZINC000408542672 557033875 /nfs/dbraw/zinc/03/38/75/557033875.db2.gz KWGABICCCRFXAQ-DHZHZOJOSA-N 0 0 440.883 6.031 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc32)c1 ZINC000408544413 557034522 /nfs/dbraw/zinc/03/45/22/557034522.db2.gz SVTKIDPRIUWBNP-LGJNPRDNSA-N 0 0 447.878 5.788 40 30 IKEBRN COc1cc(C)c(/C=C2\SC(=Nc3ccccc3)N(Cc3ccco3)C2=O)cc1OC ZINC000408549712 557035252 /nfs/dbraw/zinc/03/52/52/557035252.db2.gz XLNNFRUPPHCXMD-OJVQYLDISA-N 0 0 434.517 5.409 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC ZINC000409220760 557035954 /nfs/dbraw/zinc/03/59/54/557035954.db2.gz FKAXZLBSCNYPQK-XNQNREEQSA-N 0 0 428.529 5.636 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3ccccn3)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409220993 557036298 /nfs/dbraw/zinc/03/62/98/557036298.db2.gz IYAIGWZWQKDXLF-OIHHALDZSA-N 0 0 432.549 5.122 40 30 IKEBRN Clc1cccc(Oc2ccc(/N=C/c3ccccc3I)cc2)c1 ZINC000408552373 557036592 /nfs/dbraw/zinc/03/65/92/557036592.db2.gz SHEGTYGVZGJEBG-LPYMAVHISA-N 0 0 433.676 6.488 40 30 IKEBRN CCCCCCCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1CC ZINC000408564072 557039085 /nfs/dbraw/zinc/03/90/85/557039085.db2.gz XKZMGFFOAUKWFN-UHFFFAOYSA-N 0 0 428.524 5.561 40 30 IKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000408561001 557039750 /nfs/dbraw/zinc/03/97/50/557039750.db2.gz UDUBVWONPBAVIE-UHFFFAOYSA-N 0 0 448.636 5.960 40 30 IKEBRN C=CCOc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 ZINC000408562655 557040587 /nfs/dbraw/zinc/04/05/87/557040587.db2.gz DVWGLZZNJAHDHH-SANMLTNESA-N 0 0 444.556 5.278 40 30 IKEBRN CCOc1cc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)ccc1OCc1ccccc1C#N ZINC000408575031 557042392 /nfs/dbraw/zinc/04/23/92/557042392.db2.gz VPHNIQWCYQJWMD-HSZRJFAPSA-N 0 0 441.487 5.426 40 30 IKEBRN COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1Cl ZINC000409278021 557044588 /nfs/dbraw/zinc/04/45/88/557044588.db2.gz CQIHWEGQVCPTKE-UHFFFAOYSA-N 0 0 429.863 5.354 40 30 IKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3ccc(Cl)cc3)sc2C1 ZINC000408581996 557044884 /nfs/dbraw/zinc/04/48/84/557044884.db2.gz KTPMZJHRJLFLEQ-AWEZNQCLSA-N 0 0 433.042 6.545 40 30 IKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2ccc(N3CCCCC3)cc2F)S1 ZINC000409223036 557045116 /nfs/dbraw/zinc/04/51/16/557045116.db2.gz YPGKYTQIPNQEMS-UDWIEESQSA-N 0 0 429.948 5.669 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2Cl)cc1 ZINC000408575604 557045221 /nfs/dbraw/zinc/04/52/21/557045221.db2.gz NNDCZOONHPUWHJ-UHFFFAOYSA-N 0 0 431.875 5.129 40 30 IKEBRN CCOc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)cc1OC ZINC000409279290 557045977 /nfs/dbraw/zinc/04/59/77/557045977.db2.gz GRAZYLUJXKHXCK-UHFFFAOYSA-N 0 0 439.471 5.099 40 30 IKEBRN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccccc1Br ZINC000409281569 557047178 /nfs/dbraw/zinc/04/71/78/557047178.db2.gz DXVCMDVYTDKPEE-UHFFFAOYSA-N 0 0 444.288 5.454 40 30 IKEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1c(O)ccc2ccccc21 ZINC000409283213 557047739 /nfs/dbraw/zinc/04/77/39/557047739.db2.gz RIPHORLTOXDTAT-UHFFFAOYSA-N 0 0 436.309 5.023 40 30 IKEBRN CCOc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Cl)cc1OC ZINC000409282499 557047757 /nfs/dbraw/zinc/04/77/57/557047757.db2.gz OVICCIXKTXVJOQ-UHFFFAOYSA-N 0 0 439.943 5.387 40 30 IKEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2cccc(O)c2)cc1C(C)C ZINC000409284306 557048822 /nfs/dbraw/zinc/04/88/22/557048822.db2.gz QWJKBPLVDMCEGV-UHFFFAOYSA-N 0 0 427.504 5.092 40 30 IKEBRN CC(=O)Oc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409284626 557048944 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CCOc1cc(/C=N/NCc2ccccc2OC)ccc1OCc1cccc2ccccc21 ZINC000020761638 557126989 /nfs/dbraw/zinc/12/69/89/557126989.db2.gz PPHBGLVWQRKJBO-RDRPBHBLSA-N 0 0 440.543 5.950 40 30 IKEBRN COc1ccccc1CN/N=C/c1c(C)n(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000020763564 557127332 /nfs/dbraw/zinc/12/73/32/557127332.db2.gz ZHJKVSDSEOPWBM-JVWAILMASA-N 0 0 428.492 5.039 40 30 IKEBRN COc1ccccc1CN/N=C/c1cc(Cl)c(OCc2cccc(Cl)c2)c(OC)c1 ZINC000020763055 557127338 /nfs/dbraw/zinc/12/73/38/557127338.db2.gz JTWQLJANEUAERG-LGJNPRDNSA-N 0 0 445.346 5.713 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000409349407 557128340 /nfs/dbraw/zinc/12/83/40/557128340.db2.gz PRJIJVCJXAEQAG-SFQUDFHCSA-N 0 0 432.364 5.420 40 30 IKEBRN Cc1ccc(-c2oc(/N=C/c3ccccc3OCC#N)c(C#N)c2-c2ccc(C)cc2)cc1 ZINC000409351815 557129785 /nfs/dbraw/zinc/12/97/85/557129785.db2.gz ZIXWXLNJMYOALE-FDAWAROLSA-N 0 0 431.495 6.755 40 30 IKEBRN COc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3cc(C)cc([N+](=O)[O-])c3C)o2)S1 ZINC000408720862 557129908 /nfs/dbraw/zinc/12/99/08/557129908.db2.gz GENKTUWDNATMQI-MTJSOVHGSA-N 0 0 449.488 5.372 40 30 IKEBRN C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccccc1 ZINC000409351369 557129921 /nfs/dbraw/zinc/12/99/21/557129921.db2.gz TZTSBGSUQTZASR-CQSZACIVSA-N 0 0 447.391 5.554 40 30 IKEBRN CCCCCCCCOc1ccc(C=C2SC(=Nc3ccc(Cl)cc3)NC2=O)cc1 ZINC000002593764 557130243 /nfs/dbraw/zinc/13/02/43/557130243.db2.gz VZSYPWDRMWQWJW-OQKWZONESA-N 0 0 443.012 7.811 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000408718747 557133063 /nfs/dbraw/zinc/13/30/63/557133063.db2.gz FBMWDPCUNGETIB-UZWMFBFFSA-N 0 0 442.518 7.788 40 30 IKEBRN CCOC(=O)c1cccc(-c2ccc(/C=C3/SC(=Nc4ccc(C)cc4C)NC3=O)o2)c1 ZINC000408723738 557133545 /nfs/dbraw/zinc/13/35/45/557133545.db2.gz HOFXNOFNIPRLLW-HYARGMPZSA-N 0 0 446.528 5.632 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)c(C)c1 ZINC000408723757 557133571 /nfs/dbraw/zinc/13/35/71/557133571.db2.gz KBEXGPWUBNXSMH-RGVLZGJSSA-N 0 0 443.355 6.762 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)S2)c(C)c1 ZINC000408723717 557133573 /nfs/dbraw/zinc/13/35/73/557133573.db2.gz CSYYEKIEBZVJLU-WOJGMQOQSA-N 0 0 430.371 5.024 40 30 IKEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N\c2c(-c3ccco3)nc3ccccn32)o1 ZINC000102874248 557133746 /nfs/dbraw/zinc/13/37/46/557133746.db2.gz DDVNIZFMKOWAJV-OYKKKHCWSA-N 0 0 428.404 5.522 40 30 IKEBRN O=C(Nc1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1)c1ccc(Cl)cc1 ZINC000002992769 557134922 /nfs/dbraw/zinc/13/49/22/557134922.db2.gz ITNHXBIEOHMRCY-UHFFFAOYSA-N 0 0 429.719 5.890 40 30 IKEBRN O=C(Oc1ccc(/C=N/c2ccc3ccccc3c2)cc1)c1sc2ccccc2c1Cl ZINC000002900966 557135146 /nfs/dbraw/zinc/13/51/46/557135146.db2.gz LDPJQPXVPRRCLN-LQKURTRISA-N 0 0 441.939 7.678 40 30 IKEBRN C(=N/c1ccc(-c2nnc(-c3ccccc3)o2)cc1)\c1c2ccccc2cc2ccccc21 ZINC000002891446 557135256 /nfs/dbraw/zinc/13/52/56/557135256.db2.gz FGTPSMHDCWRYSK-NDZAJKAJSA-N 0 0 425.491 7.461 40 30 IKEBRN COc1ccccc1N=C1NC(=O)/C(=C/c2ccc(-c3cc(C)c([N+](=O)[O-])cc3C)o2)S1 ZINC000408721706 557135438 /nfs/dbraw/zinc/13/54/38/557135438.db2.gz XGOMGGPNFMUWNU-MTJSOVHGSA-N 0 0 449.488 5.372 40 30 IKEBRN COc1cc(/C=N/c2ccc(O)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000003095159 557136074 /nfs/dbraw/zinc/13/60/74/557136074.db2.gz JOCSSSZHFPBWCB-DHRITJCHSA-N 0 0 437.904 6.239 40 30 IKEBRN CCc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408722316 557136190 /nfs/dbraw/zinc/13/61/90/557136190.db2.gz GZPNSBKQJJSWNW-CVKSISIWSA-N 0 0 447.947 7.352 40 30 IKEBRN O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(Br)cc1 ZINC000408722562 557136361 /nfs/dbraw/zinc/13/63/61/557136361.db2.gz KPLANTXKJJUXJN-ATJXCDBQSA-N 0 0 439.265 5.161 40 30 IKEBRN COc1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1OC ZINC000408722741 557136364 /nfs/dbraw/zinc/13/63/64/557136364.db2.gz MULWVSAHWOLCMO-CVKSISIWSA-N 0 0 434.948 6.898 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccc(OC)c(OC)c3)sc2-c2ccccc2)cc1 ZINC000408722610 557136469 /nfs/dbraw/zinc/13/64/69/557136469.db2.gz MDADOUSVVGOHKH-WGOQTCKBSA-N 0 0 430.529 6.254 40 30 IKEBRN CCCCCCCCCCCOC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 ZINC000408723095 557136722 /nfs/dbraw/zinc/13/67/22/557136722.db2.gz ZHYSZJUKZLMRMQ-UHFFFAOYSA-N 0 0 430.592 7.498 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3cc(OC)ccc3OC)sc2-c2ccccc2)cc1 ZINC000408722999 557136724 /nfs/dbraw/zinc/13/67/24/557136724.db2.gz PFXNDEYUWVXBTH-WGOQTCKBSA-N 0 0 430.529 6.254 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3[N+](=O)[O-])sc2-c2ccc(OC)cc2)cc1 ZINC000408723225 557136794 /nfs/dbraw/zinc/13/67/94/557136794.db2.gz RKYBDGLMDPKTKN-MFKUBSTISA-N 0 0 445.500 6.153 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408723487 557137012 /nfs/dbraw/zinc/13/70/12/557137012.db2.gz VSIXJUPFIQCLIE-AFUMVMLFSA-N 0 0 449.919 6.798 40 30 IKEBRN COc1ccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)cc1OC ZINC000409357447 557137178 /nfs/dbraw/zinc/13/71/78/557137178.db2.gz JEWQVEKWBAOOFN-OCSSWDANSA-N 0 0 436.511 6.870 40 30 IKEBRN C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000409360269 557137485 /nfs/dbraw/zinc/13/74/85/557137485.db2.gz MRGAHEYTXNDLDR-UHFFFAOYSA-N 0 0 438.622 5.245 40 30 IKEBRN Cc1cc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(C)n1-c1cccc(C)c1 ZINC000409375209 557138432 /nfs/dbraw/zinc/13/84/32/557138432.db2.gz HEJYIFOWPVETGS-MUFRIFMGSA-N 0 0 435.483 7.138 40 30 IKEBRN Cc1ccc(COc2ccc(/C=N/c3oc(-c4ccco4)c(-c4ccco4)c3C#N)cc2)cc1 ZINC000409375958 557138932 /nfs/dbraw/zinc/13/89/32/557138932.db2.gz RIWRYQFHJRCIMM-OCSSWDANSA-N 0 0 448.478 7.309 40 30 IKEBRN C(=N/c1cccc2ccccc21)\c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1 ZINC000408730382 557139043 /nfs/dbraw/zinc/13/90/43/557139043.db2.gz FXPSYDUCHIIKEO-JGRMKTMXSA-N 0 0 448.569 8.715 40 30 IKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccc3C)c2-c2ccccc2)cc1 ZINC000408730396 557139060 /nfs/dbraw/zinc/13/90/60/557139060.db2.gz FZACOIKBHDKYMJ-WEMUVCOSSA-N 0 0 426.563 8.179 40 30 IKEBRN N#CCn1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3ccccc3)C2=O)c2ccccc21 ZINC000409376766 557139271 /nfs/dbraw/zinc/13/92/71/557139271.db2.gz CUNDTJYTTMRNOS-YMTQWUKOSA-N 0 0 448.551 5.969 40 30 IKEBRN O=S(=O)(c1ccc(/N=C/c2cccc(C(F)(F)F)c2)cc1)N1CCc2ccccc2C1 ZINC000408730590 557139364 /nfs/dbraw/zinc/13/93/64/557139364.db2.gz RMUBGISPUJLMRN-JFLMPSFJSA-N 0 0 444.478 5.203 40 30 IKEBRN O=C1/C(=C\c2ccc(Cl)cc2)S/C(=N/N=C/c2ccccc2)N1/N=C/c1ccccc1 ZINC000103678616 557139336 /nfs/dbraw/zinc/13/93/36/557139336.db2.gz NROCBNXIRZZCDF-NJLXJMNCSA-N 0 0 444.947 5.681 40 30 IKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=Nc3ccccc3)N(C)C2=O)cc1OC ZINC000409376991 557139669 /nfs/dbraw/zinc/13/96/69/557139669.db2.gz DHSOZBBACIXPNZ-NYJDGVIYSA-N 0 0 430.957 5.760 40 30 IKEBRN CC(C)Oc1ccc(/C=N/c2oc(-c3ccco3)c(-c3ccco3)c2C#N)c(OC(C)C)c1 ZINC000409377572 557139734 /nfs/dbraw/zinc/13/97/34/557139734.db2.gz IKTXTWJKZZVMFW-RWPZCVJISA-N 0 0 444.487 6.996 40 30 IKEBRN O=C(/C=C/c1cc(-c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccccc1 ZINC000408732422 557139748 /nfs/dbraw/zinc/13/97/48/557139748.db2.gz 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CCOC(=O)c1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)cc1 ZINC000409387580 557141944 /nfs/dbraw/zinc/14/19/44/557141944.db2.gz ROIKQPZMLFSBHT-JVWAILMASA-N 0 0 430.504 5.248 40 30 IKEBRN C=CCN1c2ccccc2/C(=C2\S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)C1=O ZINC000409386944 557141987 /nfs/dbraw/zinc/14/19/87/557141987.db2.gz HUKQEPYXUSNRGA-VLNLLYCGSA-N 0 0 443.572 5.526 40 30 IKEBRN COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(-c4ccccc4)cc3)c3ccccc32)o1 ZINC000409391938 557142569 /nfs/dbraw/zinc/14/25/69/557142569.db2.gz KJVBJGQNTFLNBM-STBIYBPSSA-N 0 0 434.495 6.487 40 30 IKEBRN N#Cc1ccccc1Cn1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCC4)c2ccccc21 ZINC000408735108 557142749 /nfs/dbraw/zinc/14/27/49/557142749.db2.gz OAHRVWDOCBAHMQ-UHFFFAOYSA-N 0 0 436.540 5.817 40 30 IKEBRN COC(=O)c1ccc(Cn2cc(/C=N/c3ccc(Br)cc3)c3ccccc32)o1 ZINC000409394335 557142920 /nfs/dbraw/zinc/14/29/20/557142920.db2.gz ZANASJFHQVWXDL-WYMPLXKRSA-N 0 0 437.293 5.582 40 30 IKEBRN O=C(Oc1cccc(/C=N/c2ccccc2Cl)c1)c1sc2ccccc2c1Cl ZINC000408733423 557143012 /nfs/dbraw/zinc/14/30/12/557143012.db2.gz IWRKZZBKDIBFSL-DHRITJCHSA-N 0 0 426.324 7.178 40 30 IKEBRN N#CCOc1ccc([C@@H]2Nc3ccc(I)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408736089 557143547 /nfs/dbraw/zinc/14/35/47/557143547.db2.gz DVKJMRMEWRCFTK-UWVAXJGDSA-N 0 0 428.273 5.020 40 30 IKEBRN C#CCOc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409402731 557144350 /nfs/dbraw/zinc/14/43/50/557144350.db2.gz JAWUZLGNTFWRBO-UHFFFAOYSA-N 0 0 429.479 5.111 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1OCc1ccccc1F ZINC000409405008 557144451 /nfs/dbraw/zinc/14/44/51/557144451.db2.gz SBZYOGKHDPKYPN-UHFFFAOYSA-N 0 0 449.485 5.664 40 30 IKEBRN CCOc1ccc(-n2cccc2C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1 ZINC000409407246 557144872 /nfs/dbraw/zinc/14/48/72/557144872.db2.gz SVLXHMJUKHBOOY-UHFFFAOYSA-N 0 0 434.499 5.135 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(Br)c1 ZINC000006015232 557144916 /nfs/dbraw/zinc/14/49/16/557144916.db2.gz NFFIXKMOHLPLEO-LJQANCHMSA-N 0 0 434.333 5.387 40 30 IKEBRN CCOc1ccc(Br)cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409406223 557144974 /nfs/dbraw/zinc/14/49/74/557144974.db2.gz WRSPHQMTXVDRAM-UHFFFAOYSA-N 0 0 448.320 5.107 40 30 IKEBRN CC[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409407240 557145066 /nfs/dbraw/zinc/14/50/66/557145066.db2.gz SVIBLUKUGAXGPR-LJQANCHMSA-N 0 0 440.547 5.189 40 30 IKEBRN Cc1cc(/C=N/c2ccc(I)c(C)c2)c(C)n1-c1ccc(C)cc1 ZINC000408738527 557145665 /nfs/dbraw/zinc/14/56/65/557145665.db2.gz LKGNAMPUIHZAJN-YDZHTSKRSA-N 0 0 428.317 6.066 40 30 IKEBRN Cc1cccc(COc2ccc(/C=C3\SC(=Nc4cccc(Cl)c4C)NC3=O)cc2)c1 ZINC000408738004 557146096 /nfs/dbraw/zinc/14/60/96/557146096.db2.gz HQSZTPNLYGDBMJ-UCQKPKSFSA-N 0 0 448.975 6.427 40 30 IKEBRN Cc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1C ZINC000408739391 557147405 /nfs/dbraw/zinc/14/74/05/557147405.db2.gz BJQOHCWMBUXGKC-WEMUVCOSSA-N 0 0 426.563 8.179 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(C)c(Cl)c2)NC1=O ZINC000408739034 557148411 /nfs/dbraw/zinc/14/84/11/557148411.db2.gz RVGFPSGLWBSMBW-HMAPJEAMSA-N 0 0 436.964 6.482 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3Cl)S2)cc1 ZINC000408739812 557148737 /nfs/dbraw/zinc/14/87/37/557148737.db2.gz ASBPPVRMAMWYIH-OVCLIPMQSA-N 0 0 427.740 5.937 40 30 IKEBRN CC1=NN(c2ccccc2)C(=O)C1=CNc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408741052 557149477 /nfs/dbraw/zinc/14/94/77/557149477.db2.gz NQJHOZBFCUPAAU-NMWDDECMSA-N 0 0 430.489 5.487 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408741918 557149662 /nfs/dbraw/zinc/14/96/62/557149662.db2.gz SNODFQNDHCKGOS-RPPGKUMJSA-N 0 0 428.388 6.964 40 30 IKEBRN Cc1cc(/C=N/c2ccc(I)cc2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408742072 557150026 /nfs/dbraw/zinc/15/00/26/557150026.db2.gz USEKATFJHHDZQG-OEAKJJBVSA-N 0 0 443.332 5.515 40 30 IKEBRN C=CCc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc(OC)c1OCc1ccccc1 ZINC000408742789 557150722 /nfs/dbraw/zinc/15/07/22/557150722.db2.gz PWZDHNOYSPUZSU-PCLIKHOPSA-N 0 0 438.523 6.292 40 30 IKEBRN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccn3)c2-c2ccccc2)cc1 ZINC000408743392 557150859 /nfs/dbraw/zinc/15/08/59/557150859.db2.gz SORGCCXMZVJUIA-WEMUVCOSSA-N 0 0 443.550 7.356 40 30 IKEBRN COc1cccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1 ZINC000408739705 557151165 /nfs/dbraw/zinc/15/11/65/557151165.db2.gz DTILGKXXJHOEKR-DFKUXCBWSA-N 0 0 428.535 7.571 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)ccc1OCC(C)C ZINC000408739577 557151172 /nfs/dbraw/zinc/15/11/72/557151172.db2.gz XZFQJUDCOIFCIM-JAIQZWGSSA-N 0 0 430.957 5.583 40 30 IKEBRN CCOc1ccc(-c2cs/c(=N\N=C(/C)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 ZINC000016805989 557156388 /nfs/dbraw/zinc/15/63/88/557156388.db2.gz KDLOFESDRVHGBL-KKCSMFPCSA-N 0 0 447.991 6.583 40 30 IKEBRN CN1c2ccccc2C(C)(C)/C1=C/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000006179467 557156775 /nfs/dbraw/zinc/15/67/75/557156775.db2.gz CMHKVMMLGPQRCO-ICELFBEGSA-N 0 0 443.550 7.499 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C/c1cc(Br)ccc1O ZINC000408749278 557156768 /nfs/dbraw/zinc/15/67/68/557156768.db2.gz NAXILNFEEAMKKO-MKMNVTDBSA-N 0 0 444.137 5.353 40 30 IKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1Cl ZINC000006177481 557157154 /nfs/dbraw/zinc/15/71/54/557157154.db2.gz SRSOJXJDJDRYLG-DHFGEULSSA-N 0 0 431.319 5.224 40 30 IKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@H]1C)Nc1ccccc1N[C@H]2c1cccc(Cl)c1Cl ZINC000006177260 557157182 /nfs/dbraw/zinc/15/71/82/557157182.db2.gz SRSOJXJDJDRYLG-JSZUHDFRSA-N 0 0 431.319 5.224 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc(OC)c1OC ZINC000106720700 557159167 /nfs/dbraw/zinc/15/91/67/557159167.db2.gz POSWCAZCGXMJBZ-HAHDFKILSA-N 0 0 445.540 5.822 40 30 IKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408750935 557159810 /nfs/dbraw/zinc/15/98/10/557159810.db2.gz UGOGYTSLODJSNX-VROXFSQNSA-N 0 0 447.278 5.330 40 30 IKEBRN CCN(CC)c1ccc(/C=C2/SC(=Nc3ccccc3Br)NC2=O)cc1 ZINC000408749804 557161132 /nfs/dbraw/zinc/16/11/32/557161132.db2.gz UOIHLKMZZBYUTK-QGOAFFKASA-N 0 0 430.371 5.187 40 30 IKEBRN Cc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1[N+](=O)[O-] ZINC000408752823 557162641 /nfs/dbraw/zinc/16/26/41/557162641.db2.gz CODKOUJKODAHKZ-SXGWCWSVSA-N 0 0 446.326 5.174 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4OC)o3)S2)cc1 ZINC000408753002 557163666 /nfs/dbraw/zinc/16/36/66/557163666.db2.gz KNXRDGUPMJRMNJ-BKUYFWCQSA-N 0 0 449.488 5.317 40 30 IKEBRN Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S1 ZINC000408755099 557167395 /nfs/dbraw/zinc/16/73/95/557167395.db2.gz YNASWBXSKWFTJP-HYARGMPZSA-N 0 0 445.500 5.374 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1 ZINC000408756741 557168766 /nfs/dbraw/zinc/16/87/66/557168766.db2.gz UFVDRDPYZHXITN-ZHZULCJRSA-N 0 0 438.593 5.887 40 30 IKEBRN Brc1ccc(-c2csc(N=NCc3cccc(Br)c3)n2)cc1 ZINC000008426901 557169914 /nfs/dbraw/zinc/16/99/14/557169914.db2.gz MZLYJDQTRITRKC-DJKKODMXSA-N 0 0 437.160 5.781 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 ZINC000008766007 557171058 /nfs/dbraw/zinc/17/10/58/557171058.db2.gz GQUOAFODXSIJIZ-WQRHYEAKSA-N 0 0 443.297 5.740 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccccc2OCc2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000021964290 557172076 /nfs/dbraw/zinc/17/20/76/557172076.db2.gz DXNHGAXRULYSSZ-WSDLNYQXSA-N 0 0 426.816 5.181 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(OC)cc1 ZINC000021962157 557172214 /nfs/dbraw/zinc/17/22/14/557172214.db2.gz BVTSJTCYEPEGNC-UHFFFAOYSA-N 0 0 430.533 5.024 40 30 IKEBRN N#Cc1ccc(Oc2ccc(OC(=O)c3ccc(Br)c([N+](=O)[O-])c3)cc2)cc1 ZINC000000777998 557173638 /nfs/dbraw/zinc/17/36/38/557173638.db2.gz JPHTUJLUFOVECH-UHFFFAOYSA-N 0 0 439.221 5.240 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cccc(Cl)c4)c3C)S2)cc1 ZINC000408758849 557173645 /nfs/dbraw/zinc/17/36/45/557173645.db2.gz SJQMXWAXAYQZOO-MTJSOVHGSA-N 0 0 437.952 5.648 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2ccccc2OCc2cccc3ccccc32)cc1 ZINC000408760794 557174602 /nfs/dbraw/zinc/17/46/02/557174602.db2.gz GDCMTYDGCBXBKM-YZSQISJMSA-N 0 0 430.529 5.040 40 30 IKEBRN Cc1cc(/C=N\c2ccc(I)c(C)c2)c(C)n1-c1cccc(C)c1 ZINC000408759455 557177700 /nfs/dbraw/zinc/17/77/00/557177700.db2.gz FIKJVMDQPMXQDT-QRVIBDJDSA-N 0 0 428.317 6.066 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408759943 557178070 /nfs/dbraw/zinc/17/80/70/557178070.db2.gz OQNUMFNWZASOCD-UUYOSTAYSA-N 0 0 435.980 6.256 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1 ZINC000408764224 557181987 /nfs/dbraw/zinc/18/19/87/557181987.db2.gz LSEIKVWZJGZOFD-JLPGSUDCSA-N 0 0 444.556 5.728 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)OC)c4C)o3)S2)cc1 ZINC000408765368 557186171 /nfs/dbraw/zinc/18/61/71/557186171.db2.gz VQAVAUZMNWSSMY-HMAPJEAMSA-N 0 0 446.528 5.496 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408765422 557186803 /nfs/dbraw/zinc/18/68/03/557186803.db2.gz PMNDBYPMEUCLPL-BKUYFWCQSA-N 0 0 433.489 5.617 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3cccc4ccccc43)cc2)c([N+](=O)[O-])c1 ZINC000408766520 557188649 /nfs/dbraw/zinc/18/86/49/557188649.db2.gz VDYJUOGHCGDVAG-MFKUBSTISA-N 0 0 442.431 5.681 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(CC)cc4)c3C)S2)cc1 ZINC000408766161 557188658 /nfs/dbraw/zinc/18/86/58/557188658.db2.gz PKAHVMYMVDRNIV-JLPGSUDCSA-N 0 0 445.588 5.947 40 30 IKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C ZINC000408769101 557194283 /nfs/dbraw/zinc/19/42/83/557194283.db2.gz NWFFIOTZBJPWCS-OEAKJJBVSA-N 0 0 428.317 6.012 40 30 IKEBRN C=CCOc1c(CC=C)cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408771162 557195577 /nfs/dbraw/zinc/19/55/77/557195577.db2.gz FSMQEDRKTGLAHK-YVVITCHPSA-N 0 0 436.577 5.151 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)c(Cl)c3)c2C)cc1 ZINC000408774157 557196789 /nfs/dbraw/zinc/19/67/89/557196789.db2.gz BNKWYGDIJWZHCV-VULFUBBASA-N 0 0 438.911 5.461 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1C1CCCC1 ZINC000408774368 557196830 /nfs/dbraw/zinc/19/68/30/557196830.db2.gz ZSJLJXWXMOTZKE-GRSHGNNSSA-N 0 0 434.392 6.418 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)cc2)cc1 ZINC000408775505 557197928 /nfs/dbraw/zinc/19/79/28/557197928.db2.gz HPILHDHADKXYSP-OGLMXYFKSA-N 0 0 430.935 7.299 40 30 IKEBRN CC(=O)Oc1ccccc1/C=N\c1sc2c(c1C(=O)NCc1ccccc1)CCCC2 ZINC000408775526 557197993 /nfs/dbraw/zinc/19/79/93/557197993.db2.gz UFAJQNRYUCHOSS-YUMHPJSZSA-N 0 0 432.545 5.233 40 30 IKEBRN Cc1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408779523 557201515 /nfs/dbraw/zinc/20/15/15/557201515.db2.gz XQOVJWKQSRZRSJ-MYYYXRDXSA-N 0 0 437.952 5.213 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1Cl ZINC000408780368 557201659 /nfs/dbraw/zinc/20/16/59/557201659.db2.gz BHNNAKOBYZWGER-WNIMSWJZSA-N 0 0 448.975 6.021 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c(C)c1 ZINC000408781094 557203192 /nfs/dbraw/zinc/20/31/92/557203192.db2.gz RNIVNMNCFUMBES-UNOMPAQXSA-N 0 0 446.557 5.816 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3cc(C(=O)OC)ccc3Cl)c2C)cc1 ZINC000408783159 557206586 /nfs/dbraw/zinc/20/65/86/557206586.db2.gz KSMNSTCOSIHMLQ-VULFUBBASA-N 0 0 438.911 5.461 40 30 IKEBRN Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408783229 557206657 /nfs/dbraw/zinc/20/66/57/557206657.db2.gz MPSCHARAIJXIGZ-SSDVNMTOSA-N 0 0 432.705 6.169 40 30 IKEBRN COc1ccc([N+](=O)[O-])cc1/N=C\c1cc(C)n(-c2ccc(Br)cc2)c1C ZINC000408783570 557206880 /nfs/dbraw/zinc/20/68/80/557206880.db2.gz OTMRJKOSIOFFMK-UUYOSTAYSA-N 0 0 428.286 5.524 40 30 IKEBRN Cc1cc(C=NNc2ccccc2)c(C)n1-c1ccc(I)c(C)c1 ZINC000408784244 557207684 /nfs/dbraw/zinc/20/76/84/557207684.db2.gz ADIQXJPERWIREX-LPYMAVHISA-N 0 0 429.305 5.453 40 30 IKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(F)cc4)NC3=O)c2c1 ZINC000408785381 557208325 /nfs/dbraw/zinc/20/83/25/557208325.db2.gz YYDILLDTAYMAJY-HMAPJEAMSA-N 0 0 436.508 5.668 40 30 IKEBRN O=C(/C(F)=C(/F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F ZINC000100036470 557211858 /nfs/dbraw/zinc/21/18/58/557211858.db2.gz LHQQPWDNJJTKPI-UPHRSURJSA-N 0 0 428.066 5.372 40 30 IKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2cccc(C)c2)c1C ZINC000408795466 557212384 /nfs/dbraw/zinc/21/23/84/557212384.db2.gz LUTXLOHCLGEOGT-XMMPIXPASA-N 0 0 438.527 5.144 40 30 IKEBRN C=CCn1c(C)c([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000408809695 557221350 /nfs/dbraw/zinc/22/13/50/557221350.db2.gz HPLOYKHLDRQARP-PMERELPUSA-N 0 0 446.594 7.598 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(CC)CC)cc3)c2C)SC1=S ZINC000408809792 557221367 /nfs/dbraw/zinc/22/13/67/557221367.db2.gz JDXONRJYOKWPFW-QNGOZBTKSA-N 0 0 425.623 5.328 40 30 IKEBRN C#CCOc1c(Br)cc(/C=N/N(c2ccccc2)c2ccccc2)cc1OC ZINC000408811249 557221968 /nfs/dbraw/zinc/22/19/68/557221968.db2.gz AKXZZPPYYQQRNC-KOEQRZSOSA-N 0 0 435.321 5.642 40 30 IKEBRN Cc1c(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1C#N ZINC000408811845 557222696 /nfs/dbraw/zinc/22/26/96/557222696.db2.gz MBAHWQAZVAUSEG-MYYYXRDXSA-N 0 0 449.535 6.111 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408812400 557224433 /nfs/dbraw/zinc/22/44/33/557224433.db2.gz MYRWYNAYLRJNSI-PDGQHHTCSA-N 0 0 444.350 5.423 40 30 IKEBRN CC(C)c1ccc([C@H]2NC(=Nc3nc4ccccc4o3)Nc3c4ccccc4[nH]c(=O)c32)cc1 ZINC000022528214 557224922 /nfs/dbraw/zinc/22/49/22/557224922.db2.gz CJUFBYXCGWKYRU-HSZRJFAPSA-N 0 0 449.514 5.585 40 30 IKEBRN CCCCCCCCc1ccc(-c2ccc(C(=O)Oc3ccc(C#N)c(Cl)c3)cc2)cc1 ZINC000408526123 557228006 /nfs/dbraw/zinc/22/80/06/557228006.db2.gz QLIXGFIXPKLSCC-UHFFFAOYSA-N 0 0 445.990 8.001 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000408815299 557228644 /nfs/dbraw/zinc/22/86/44/557228644.db2.gz JAFDGKKVYHYCLS-STBIYBPSSA-N 0 0 426.903 7.288 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O ZINC000111507869 557228863 /nfs/dbraw/zinc/22/88/63/557228863.db2.gz GZXXAXFZERUNIB-RGVLZGJSSA-N 0 0 441.339 5.666 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccccc2Cl)NC1=O ZINC000408816626 557229665 /nfs/dbraw/zinc/22/96/65/557229665.db2.gz LXHPSSPDDZOLLX-BOPFTXTBSA-N 0 0 449.757 5.559 40 30 IKEBRN CCCCCCCCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2CCCCCCCC)cc1 ZINC000100023035 557237550 /nfs/dbraw/zinc/23/75/50/557237550.db2.gz NWIFRDQEAOJOGK-ILBGXUMGSA-N 0 0 428.661 7.102 40 30 IKEBRN COc1c(F)c(F)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(F)c1F ZINC000112292010 557238875 /nfs/dbraw/zinc/23/88/75/557238875.db2.gz NXCNRVSDHYKLFG-UHFFFAOYSA-N 0 0 435.217 5.542 40 30 IKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Br)c1OC(C)C ZINC000010119117 557251519 /nfs/dbraw/zinc/25/15/19/557251519.db2.gz FHSOTXURJRAPPV-FSJBWODESA-N 0 0 425.754 5.412 40 30 IKEBRN CCOCCN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)S/C1=N\c1ccccc1 ZINC000100278999 557256217 /nfs/dbraw/zinc/25/62/17/557256217.db2.gz BRYNBLNOQPNQEA-IPLYMLRXSA-N 0 0 436.508 5.726 40 30 IKEBRN CCCCCCCC[C@@H]1S[C@@H]1CCCCCCCC(=O)OCCOCCOCC ZINC000100300086 557257151 /nfs/dbraw/zinc/25/71/51/557257151.db2.gz MMBZAEHFMQEQSE-XZOQPEGZSA-N 0 0 430.695 6.548 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=O)Nc1cc(Cl)ccc1Cl ZINC000100309868 557257482 /nfs/dbraw/zinc/25/74/82/557257482.db2.gz VOAXRBMMVYVVSE-UHFFFAOYSA-N 0 0 429.476 8.596 40 30 IKEBRN O=C1/C(=C\c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000100328840 557257704 /nfs/dbraw/zinc/25/77/04/557257704.db2.gz QPCAXJZBLTYCSM-OBUXZSPNSA-N 0 0 425.513 5.875 40 30 IKEBRN COc1ccc([C@H]2C/C(=N/c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000100349590 557258402 /nfs/dbraw/zinc/25/84/02/557258402.db2.gz SPBGJDSPDBEMTN-GRKCXVTJSA-N 0 0 425.315 6.253 40 30 IKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H]2c1ccccc1 ZINC000100421508 557260544 /nfs/dbraw/zinc/26/05/44/557260544.db2.gz FQNBGXGKYSKSJR-GBXCKJPGSA-N 0 0 433.511 5.536 40 30 IKEBRN CCCCCCOCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100550699 557264256 /nfs/dbraw/zinc/26/42/56/557264256.db2.gz FHQVFWFMYXCYQP-UHFFFAOYSA-N 0 0 448.263 6.712 40 30 IKEBRN Cc1cc(/C=C2\Sc3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000408847468 557267921 /nfs/dbraw/zinc/26/79/21/557267921.db2.gz MPMNFLVYFSGMOZ-JJFYIABZSA-N 0 0 441.379 7.519 40 30 IKEBRN CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOC ZINC000100923916 557278947 /nfs/dbraw/zinc/27/89/47/557278947.db2.gz GWOYBBMLWDVWTR-UHFFFAOYSA-N 0 0 448.685 5.417 40 30 IKEBRN CCCCCCCCCCCC(=NNc1ccc([N+](=O)[O-])cc1)c1cc(C)ccc1O ZINC000100934004 557279175 /nfs/dbraw/zinc/27/91/75/557279175.db2.gz YLUKOOAOKITTJJ-PNHLSOANSA-N 0 0 425.573 7.346 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4o3)sc2C1 ZINC000014067253 557292982 /nfs/dbraw/zinc/29/29/82/557292982.db2.gz ILEYXPKEPBMTBQ-ZDUSSCGKSA-N 0 0 425.579 5.643 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cc(OC)c1O ZINC000113838808 557307787 /nfs/dbraw/zinc/30/77/87/557307787.db2.gz MWDDZDWHEKURLA-KGENOOAVSA-N 0 0 433.554 5.688 40 30 IKEBRN Cc1ccc(C(=O)C=C2Nc3ccc([N+](=O)[O-])cc3NC2=CC(=O)c2ccc(C)cc2)cc1 ZINC000102896294 557309576 /nfs/dbraw/zinc/30/95/76/557309576.db2.gz ORXNONNFHLAHLN-YBOYZMIGSA-N 0 0 439.471 5.583 40 30 IKEBRN CCCCOC(=O)C(O)=C(C[C@@H](C(=O)Cc1ccccc1)c1ccccc1)C(=O)C=C(C)C ZINC000102977265 557311226 /nfs/dbraw/zinc/31/12/26/557311226.db2.gz ICLAEGNEUPSKPX-RPWUZVMVSA-N 0 0 448.559 5.036 40 30 IKEBRN Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2cc(Cl)ccc2C#N)n1 ZINC000014152818 557311277 /nfs/dbraw/zinc/31/12/77/557311277.db2.gz GNPIYYBFHBGFOS-UHFFFAOYSA-N 0 0 429.332 5.361 40 30 IKEBRN CC(=N\N=C(c1ccccc1)c1ccccc1)/C(C)=N/N=C(c1ccccc1)c1ccccc1 ZINC000104068753 557319915 /nfs/dbraw/zinc/31/99/15/557319915.db2.gz SQNDMHBJDILOHJ-QBRCKEFASA-N 0 0 442.566 6.813 40 30 IKEBRN Nc1nc(N)c(/C=N\c2ccc(Cl)c(Cl)c2)c(Nc2ccc(Cl)c(Cl)c2)n1 ZINC000104079106 557320023 /nfs/dbraw/zinc/32/00/23/557320023.db2.gz AAEQOPSKNYFFRG-VAPIAZESSA-N 0 0 442.137 5.749 40 30 IKEBRN Clc1ccccc1C(=N\c1ccccc1)/C(=N\c1ccccc1)c1ccccc1Cl ZINC000104138541 557321047 /nfs/dbraw/zinc/32/10/47/557321047.db2.gz FUDRBLXBROYOOS-ZUSIYWPSSA-N 0 0 429.350 7.935 40 30 IKEBRN O=S(=O)(c1ccc(/N=C/c2cccs2)cc1)c1ccc(/N=C\c2cccs2)cc1 ZINC000104203680 557321894 /nfs/dbraw/zinc/32/18/94/557321894.db2.gz ATGSMFVSXNRYQU-REPVBDINSA-N 0 0 436.583 6.144 40 30 IKEBRN O=S(=O)(c1ccc(/N=C\c2cccs2)cc1)c1ccc(/N=C\c2cccs2)cc1 ZINC000104203677 557321911 /nfs/dbraw/zinc/32/19/11/557321911.db2.gz ATGSMFVSXNRYQU-MPKYGIEOSA-N 0 0 436.583 6.144 40 30 IKEBRN CCO/C(=N/c1ccc(C#N)cc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000104229407 557322697 /nfs/dbraw/zinc/32/26/97/557322697.db2.gz RXUDBKMKUWJAFP-PNOGMODKSA-N 0 0 448.591 7.308 40 30 IKEBRN CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C)(C)N1C(=O)CCC1=O ZINC000104260096 557323643 /nfs/dbraw/zinc/32/36/43/557323643.db2.gz XIWRQRBDFCEUTH-VAWYXSNFSA-N 0 0 435.649 6.495 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccc(C(C)C)cc1 ZINC000104350110 557325460 /nfs/dbraw/zinc/32/54/60/557325460.db2.gz XWPOFMKMULALMG-BYNJWEBRSA-N 0 0 445.761 8.089 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccc(O)cc1O ZINC000104348849 557325564 /nfs/dbraw/zinc/32/55/64/557325564.db2.gz VMKYOVPRCOYZRR-QOMWVZHYSA-N 0 0 435.678 6.377 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1cccc([N+](=O)[O-])c1 ZINC000104360280 557325691 /nfs/dbraw/zinc/32/56/91/557325691.db2.gz UOGCKENBJCEZQP-YYADALCUSA-N 0 0 448.677 6.874 40 30 IKEBRN CCCCCCCCCCC(=O)N([C@@H]1C[C@H](C)CC(C)(C)C1)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000104359677 557325717 /nfs/dbraw/zinc/32/57/17/557325717.db2.gz DQHFFAOTHZXUGF-ASDGIDEWSA-N 0 0 433.765 8.775 40 30 IKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1ccc(OCC)c(OCC)c1 ZINC000104380354 557326035 /nfs/dbraw/zinc/32/60/35/557326035.db2.gz KWOGBSJMMJZMCI-QOMWVZHYSA-N 0 0 435.678 6.203 40 30 IKEBRN Cc1cccc(/C=N/CC[C@H](S)CC[C@H](S)CC/N=C\c2cccc(C)c2O)c1O ZINC000104373836 557326091 /nfs/dbraw/zinc/32/60/91/557326091.db2.gz BOFCHUFJJKIXGD-VUQKXIGNSA-N 0 0 444.666 5.410 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\C=C/c1ccccc1 ZINC000104376692 557326164 /nfs/dbraw/zinc/32/61/64/557326164.db2.gz HYPWGBILDBPVEG-DDLVWHPWSA-N 0 0 429.718 7.631 40 30 IKEBRN Clc1ccccc1/C=N/c1cccc2c1-c1ccc(/N=C\c3ccccc3Cl)cc1C2 ZINC000104391471 557326364 /nfs/dbraw/zinc/32/63/64/557326364.db2.gz IFDIJGNHMUAIRO-RQCICOGXSA-N 0 0 441.361 8.066 40 30 IKEBRN CC1(C)CC(=O)C([C@H]2c3cc(Cl)cc(Cl)c3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 ZINC000104804652 557328515 /nfs/dbraw/zinc/32/85/15/557328515.db2.gz XVEXKKMPOJWWGN-GOSISDBHSA-N 0 0 435.347 5.687 40 30 IKEBRN COc1ccc2ccccc2c1C(C1C(=O)CC(C)(C)CC1=O)C1C(=O)CC(C)(C)CC1=O ZINC000105664131 557331785 /nfs/dbraw/zinc/33/17/85/557331785.db2.gz JGLJIWGBLAWCLJ-SANMLTNESA-N 0 0 448.559 5.708 40 30 IKEBRN Cc1sc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(C#N)c1C ZINC000014271463 557332098 /nfs/dbraw/zinc/33/20/98/557332098.db2.gz JEPOKTYUOVGTRW-UHFFFAOYSA-N 0 0 444.379 5.279 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc4ccccc4c3)sc2C1 ZINC000014271536 557332419 /nfs/dbraw/zinc/33/24/19/557332419.db2.gz RTJHLBXKOFPWHS-GOSISDBHSA-N 0 0 447.629 6.051 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)sc2C1 ZINC000014273295 557332712 /nfs/dbraw/zinc/33/27/12/557332712.db2.gz GBLCUTYJTVSVMN-KVEVGEHQSA-N 0 0 443.956 5.984 40 30 IKEBRN Cc1cc(C)c2nc(SCC(=O)Nc3ccccc3Br)c(C#N)cc2c1 ZINC000013503497 557338437 /nfs/dbraw/zinc/33/84/37/557338437.db2.gz ZYHUVRCBGKFFPU-UHFFFAOYSA-N 0 0 426.339 5.217 40 30 IKEBRN Cc1ccc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2C#N)c(Br)c1 ZINC000013503492 557338470 /nfs/dbraw/zinc/33/84/70/557338470.db2.gz QDAMPMSORMIEAY-UHFFFAOYSA-N 0 0 440.366 5.525 40 30 IKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000013879732 557392864 /nfs/dbraw/zinc/39/28/64/557392864.db2.gz JXSTXWQEPSITPV-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000013879692 557392881 /nfs/dbraw/zinc/39/28/81/557392881.db2.gz NYLNEXDVNFIBBM-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000013841998 557394827 /nfs/dbraw/zinc/39/48/27/557394827.db2.gz MVSLYHGNNQJRID-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000013842000 557394833 /nfs/dbraw/zinc/39/48/33/557394833.db2.gz SBHUVNUUNSENQS-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000013842001 557394868 /nfs/dbraw/zinc/39/48/68/557394868.db2.gz MATJEJGBHLTZCU-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@@]3(C)CC[C@H]21 ZINC000034107144 557399352 /nfs/dbraw/zinc/39/93/52/557399352.db2.gz SZBWKZHLROZHJQ-LSXMLRQXSA-N 0 0 432.560 5.831 40 30 IKEBRN C[C@@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O ZINC000034112423 557400403 /nfs/dbraw/zinc/40/04/03/557400403.db2.gz GAKVNINHIOJQFK-SCCOBJAPSA-N 0 0 442.477 6.410 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@H](OCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914833 557405413 /nfs/dbraw/zinc/40/54/13/557405413.db2.gz TUEREPUZRGDETH-QFVXTVMVSA-N 0 0 436.592 5.645 40 30 IKEBRN C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000118936600 557408097 /nfs/dbraw/zinc/40/80/97/557408097.db2.gz FELCJAPFJOPHSD-UPGNKWQRSA-N 0 0 440.712 7.204 40 30 IKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000014117807 557420474 /nfs/dbraw/zinc/42/04/74/557420474.db2.gz ALXGIONRTAGARM-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000014117841 557420701 /nfs/dbraw/zinc/42/07/01/557420701.db2.gz DXOJZEAZGPUEAM-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccccc1C(C)C ZINC000014133276 557421742 /nfs/dbraw/zinc/42/17/42/557421742.db2.gz AUIHTSQTGGHZQE-UHFFFAOYSA-N 0 0 436.581 5.206 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc(Cl)ccc1C ZINC000014133279 557421787 /nfs/dbraw/zinc/42/17/87/557421787.db2.gz WJEKUXNHKWBOSB-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000014133278 557421924 /nfs/dbraw/zinc/42/19/24/557421924.db2.gz PRMQEZQNLSIDHU-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000014134480 557422423 /nfs/dbraw/zinc/42/24/23/557422423.db2.gz OWRWIJHVJZZFOC-RWPZCVJISA-N 0 0 438.487 6.501 40 30 IKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000014133432 557422479 /nfs/dbraw/zinc/42/24/79/557422479.db2.gz ROUNZOSGSOVFOQ-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN COc1ccc([C@@H]2C3=C(C[C@H](C)CC3=O)Nc3c(-c4ccccc4)c(C)nn32)c(OC)c1 ZINC000014163672 557424711 /nfs/dbraw/zinc/42/47/11/557424711.db2.gz PMCSJVLUTVSTSD-ODCWNRFASA-N 0 0 429.520 5.144 40 30 IKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1C[C@@H](C)CC(=O)C1[C@@H]2c1cc(F)cc(F)c1 ZINC000014163705 557425076 /nfs/dbraw/zinc/42/50/76/557425076.db2.gz QKFQRHGPTLWXNP-SPSFWMDKSA-N 0 0 439.893 6.058 40 30 IKEBRN N#Cc1ccccc1NC(=S)NC(=O)C=Cc1ccc(-c2cc(Cl)cc(Cl)c2)o1 ZINC000014270098 557429371 /nfs/dbraw/zinc/42/93/71/557429371.db2.gz LFBSKEYBDQKQQX-SOFGYWHQSA-N 0 0 442.327 5.651 40 30 IKEBRN Cc1sc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(C#N)c1C ZINC000014271469 557430794 /nfs/dbraw/zinc/43/07/94/557430794.db2.gz JAJOUVHFNKPONN-UHFFFAOYSA-N 0 0 440.402 5.885 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c([N+](=O)[O-])c1 ZINC000014408793 557443984 /nfs/dbraw/zinc/44/39/84/557443984.db2.gz ZSJYEJWXIDJFSF-WYMPLXKRSA-N 0 0 449.854 5.605 40 30 IKEBRN Cc1ccc(C(=O)Oc2ccc([C@H]3Sc4ccccc4NC4=C3C(=O)CCC4)cc2)cc1 ZINC000014671925 557449251 /nfs/dbraw/zinc/44/92/51/557449251.db2.gz OTFFSGCLWOZGJS-AREMUKBSSA-N 0 0 441.552 6.480 40 30 IKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@H]2c1ccccc1 ZINC000015973383 557468447 /nfs/dbraw/zinc/46/84/47/557468447.db2.gz SVTAXIKJBLEKHE-GBXCKJPGSA-N 0 0 433.511 5.124 40 30 IKEBRN Cc1c(/N=C/c2ccc(-c3cc(C)c(C)cc3[N+](=O)[O-])o2)c(=O)n(-c2ccccc2)n1C ZINC000015990381 557468639 /nfs/dbraw/zinc/46/86/39/557468639.db2.gz CMGSLIDNEPXEHF-AFUMVMLFSA-N 0 0 430.464 5.020 40 30 IKEBRN O=C(Oc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1)c1ccccc1 ZINC000016673015 557475135 /nfs/dbraw/zinc/47/51/35/557475135.db2.gz ZSLSDUADDJVJGQ-AFUMVMLFSA-N 0 0 433.920 6.129 40 30 IKEBRN COCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)S/C1=N/c1ccccc1 ZINC000223470916 557475879 /nfs/dbraw/zinc/47/58/79/557475879.db2.gz MYYFTYMFARSJOJ-YUBLGUFESA-N 0 0 447.604 5.569 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)S2)cc1 ZINC000223483955 557477912 /nfs/dbraw/zinc/47/79/12/557477912.db2.gz YZTGGPLSCYJGGG-UCQKPKSFSA-N 0 0 431.605 6.297 40 30 IKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)NC1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223510165 557480694 /nfs/dbraw/zinc/48/06/94/557480694.db2.gz SQKCUZAWVIWDAR-UCQKPKSFSA-N 0 0 431.605 6.297 40 30 IKEBRN 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Cc1cc2c(cc1CN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H](C)CC(C)(C)N2C(C)C ZINC000223587823 557489400 /nfs/dbraw/zinc/48/94/00/557489400.db2.gz QMYSJUKUUDYKQP-CBFMJHRQSA-N 0 0 439.516 5.758 40 30 IKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@H](C)CC(=O)C1[C@H]2c1ccc(Cl)cc1Cl ZINC000017101968 557490733 /nfs/dbraw/zinc/49/07/33/557490733.db2.gz AMIUUJYTQBRGGW-ZAMGYDSWSA-N 0 0 438.358 6.433 40 30 IKEBRN Cc1cc2c(cc1/C=N/c1ccc(Oc3ccccc3)cc1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223611436 557491509 /nfs/dbraw/zinc/49/15/09/557491509.db2.gz CFWZJHUKQBKNHS-CIXXEJBXSA-N 0 0 426.604 8.039 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1 ZINC000118919132 557493265 /nfs/dbraw/zinc/49/32/65/557493265.db2.gz UOCUEIOMIAYZNI-OJUNSENVSA-N 0 0 428.613 5.468 40 30 IKEBRN C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@]3(C)[C@H]1CC2 ZINC000118933145 557494099 /nfs/dbraw/zinc/49/40/99/557494099.db2.gz BNXIOYCVQJVXLJ-IBJXJAGGSA-N 0 0 434.617 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40 30 IKEBRN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)c1 ZINC000019641390 557503947 /nfs/dbraw/zinc/50/39/47/557503947.db2.gz VDFSRGUKTMXNFI-KWPJTZOTSA-N 0 0 444.556 5.551 40 30 IKEBRN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000019641160 557503964 /nfs/dbraw/zinc/50/39/64/557503964.db2.gz GYCLRVDCSWEASW-WHLCRQNOSA-N 0 0 444.538 6.242 40 30 IKEBRN CCOc1cc(Cl)cc(/C=N/c2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1O ZINC000019648246 557505553 /nfs/dbraw/zinc/50/55/53/557505553.db2.gz KJCUIODJRMGZRU-NEZLHVBRSA-N 0 0 448.950 7.517 40 30 IKEBRN Cc1cccc(C2C3=C(C[C@H](c4ccco4)CC3=O)NC3=C2C(=O)C[C@@H](c2ccco2)C3)c1 ZINC000019629703 557506586 /nfs/dbraw/zinc/50/65/86/557506586.db2.gz LUOONSUCHMOYNB-OALUTQOASA-N 0 0 439.511 5.669 40 30 IKEBRN CCn1c2ccccc2c2cc(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)ccc21 ZINC000002680280 557521816 /nfs/dbraw/zinc/52/18/16/557521816.db2.gz ZPHXRJLTOBUVGY-MZJWZYIUSA-N 0 0 426.545 5.347 40 30 IKEBRN COc1cc(/C=N/NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)ccc1O ZINC000003201901 557523483 /nfs/dbraw/zinc/52/34/83/557523483.db2.gz NWWJNGHQHDPONI-MFKUBSTISA-N 0 0 432.416 5.630 40 30 IKEBRN CCCCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1ccc(OC)cc1 ZINC000003324444 557525163 /nfs/dbraw/zinc/52/51/63/557525163.db2.gz BNEQDWCHNPCVRI-QUUARBKMSA-N 0 0 445.382 5.862 40 30 IKEBRN COc1ccccc1Oc1ccc(/N=C/c2cc3c(cc2C)N(C)C(C)(C)C=C3C)cc1 ZINC000198151080 557529571 /nfs/dbraw/zinc/52/95/71/557529571.db2.gz PDADIDIRCKOZIC-RDRPBHBLSA-N 0 0 426.560 7.178 40 30 IKEBRN CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(C)cc4)cc3)cc2[C@@H](C)CC1(C)C ZINC000198101620 557529629 /nfs/dbraw/zinc/52/96/29/557529629.db2.gz ODWZTOLAXRNPCT-TZDDYMTFSA-N 0 0 426.604 7.958 40 30 IKEBRN C=C(C)[C@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000118936500 557543742 /nfs/dbraw/zinc/54/37/42/557543742.db2.gz MQYXUWHLBZFQQO-IAWIYWMPSA-N 0 0 426.729 8.025 40 30 IKEBRN C=C(C)[C@H]1CC[C@]2(C)[C@@H]1[C@@H]1CC[C@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)C[C@@H]2O ZINC000118930127 557544023 /nfs/dbraw/zinc/54/40/23/557544023.db2.gz AJBZENLMTKDAEK-HRKSBMEOSA-N 0 0 442.728 6.996 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000118916323 557544691 /nfs/dbraw/zinc/54/46/91/557544691.db2.gz PXDOMWMSMCFAEF-SSKGIFKBSA-N 0 0 444.562 6.254 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000118916324 557544748 /nfs/dbraw/zinc/54/47/48/557544748.db2.gz PXDOMWMSMCFAEF-UGIWRJBRSA-N 0 0 444.562 6.254 40 30 IKEBRN CCN(CC)c1ccc(C=[NH+][N-]c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000027529294 557557743 /nfs/dbraw/zinc/55/77/43/557557743.db2.gz KSRLKOSWUQHTNA-ZXVVBBHZSA-N 0 0 426.589 6.769 40 30 IKEBRN O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000225801971 557778974 /nfs/dbraw/zinc/77/89/74/557778974.db2.gz SPZBFURCYXJWAM-UHFFFAOYSA-N 0 0 447.310 5.485 40 30 IKEBRN N#CCc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 ZINC000226091714 557805171 /nfs/dbraw/zinc/80/51/71/557805171.db2.gz NAFMJKUDYSMFOR-UHFFFAOYSA-N 0 0 429.907 5.251 40 30 IKEBRN c1ccc(Nc2nc(N=NCc3ccc4ccccc4c3)nc(Nc3ccccc3)n2)cc1 ZINC000033395553 557807843 /nfs/dbraw/zinc/80/78/43/557807843.db2.gz BYBWEFGYDAXGQI-IMRQLAEWSA-N 0 0 431.503 5.958 40 30 IKEBRN C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccccc1C ZINC000033793035 557809925 /nfs/dbraw/zinc/80/99/25/557809925.db2.gz VZTJACYZBNPUGY-INIZCTEOSA-N 0 0 426.973 5.209 40 30 IKEBRN C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1C ZINC000033793036 557809931 /nfs/dbraw/zinc/80/99/31/557809931.db2.gz VZTJACYZBNPUGY-MRXNPFEDSA-N 0 0 426.973 5.209 40 30 IKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1cccc2ccccc21 ZINC000059034415 557813606 /nfs/dbraw/zinc/81/36/06/557813606.db2.gz ARLMYCKPDMCXJD-JVWAILMASA-N 0 0 439.540 6.483 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\S/C(=N\c3ccc(OC)cc3)NC2=O)c1C ZINC000059104457 557814085 /nfs/dbraw/zinc/81/40/85/557814085.db2.gz UVQLNQVTPOSERG-HAHDFKILSA-N 0 0 445.588 5.865 40 30 IKEBRN CC/N=C1\S/C(=C/c2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)C(=O)N1CC ZINC000059104310 557814099 /nfs/dbraw/zinc/81/40/99/557814099.db2.gz MHKZNVJZNAIUDI-UINIZAEWSA-N 0 0 429.589 6.073 40 30 IKEBRN C=CCc1cc(/C=C2\S/C(=N\CC)N(CC)C2=O)cc(OC)c1OCc1ccccc1 ZINC000059104662 557814324 /nfs/dbraw/zinc/81/43/24/557814324.db2.gz GNFNUEVPKUBEOA-CENQWQLUSA-N 0 0 436.577 5.315 40 30 IKEBRN CCCCc1ccc(/N=C/c2cc(Br)c(I)o2)cc1 ZINC000059105075 557814632 /nfs/dbraw/zinc/81/46/32/557814632.db2.gz TXTCDYOGYGSTDJ-VCHYOVAHSA-N 0 0 432.099 5.740 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000059105748 557814781 /nfs/dbraw/zinc/81/47/81/557814781.db2.gz LWCDPVGSWHDCAM-VCHYOVAHSA-N 0 0 443.843 5.539 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4cccc(Cl)c4C)NC3=O)o2)cc1 ZINC000059137858 557816066 /nfs/dbraw/zinc/81/60/66/557816066.db2.gz YYANKMWMRUVPMF-UNOMPAQXSA-N 0 0 440.977 6.593 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4cccc(Cl)c4)NC3=O)o2)cc1 ZINC000059137840 557816078 /nfs/dbraw/zinc/81/60/78/557816078.db2.gz OYSPJKCKNDHFOE-PDGQHHTCSA-N 0 0 426.950 6.284 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)SC1=S ZINC000059167668 557817159 /nfs/dbraw/zinc/81/71/59/557817159.db2.gz LPKIJHQDRCJMFK-JAIQZWGSSA-N 0 0 442.968 5.869 40 30 IKEBRN COc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000059198991 557818536 /nfs/dbraw/zinc/81/85/36/557818536.db2.gz MYJLPBYQMHUDEM-OGLMXYFKSA-N 0 0 440.568 6.792 40 30 IKEBRN CSc1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000059248283 557818929 /nfs/dbraw/zinc/81/89/29/557818929.db2.gz VXUDXWJMQYTSQZ-SRZZPIQSSA-N 0 0 438.799 7.319 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000059250054 557819228 /nfs/dbraw/zinc/81/92/28/557819228.db2.gz BMMWHWFQIYLFSX-LSHDLFTRSA-N 0 0 441.177 7.559 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)c2C)cc1 ZINC000059105977 557820251 /nfs/dbraw/zinc/82/02/51/557820251.db2.gz LRMAQOOORHMVFP-HMAPJEAMSA-N 0 0 435.524 5.524 40 30 IKEBRN FC(F)(F)c1cccc(/C=N/c2c(-c3ccc(Cl)cc3Cl)nc3ccccn32)c1 ZINC000059442802 557820856 /nfs/dbraw/zinc/82/08/56/557820856.db2.gz MJJKQVJGQLVIFP-KKMKTNMSSA-N 0 0 434.248 7.078 40 30 IKEBRN COc1ccc(-c2ccc(/C=C3\S/C(=N\c4ccccc4C)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000059459394 557821148 /nfs/dbraw/zinc/82/11/48/557821148.db2.gz FQTMIJISXZIVGT-NDENLUEZSA-N 0 0 435.461 5.063 40 30 IKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)S1 ZINC000059459388 557821172 /nfs/dbraw/zinc/82/11/72/557821172.db2.gz XPJOYSVOXIQYGK-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S/C(=N\c3ccc(C)cc3C)NC2=O)o1 ZINC000059459419 557821307 /nfs/dbraw/zinc/82/13/07/557821307.db2.gz NVUMETUEWLSIEC-MTJSOVHGSA-N 0 0 449.488 5.372 40 30 IKEBRN COc1ccc(-c2ccc(/C=C3\S/C(=N\c4cc(C)ccc4C)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000059459448 557821314 /nfs/dbraw/zinc/82/13/14/557821314.db2.gz GBIKQFFULQIBRV-MTJSOVHGSA-N 0 0 449.488 5.372 40 30 IKEBRN C(=N/C1=N[C@H](c2ccco2)[C@H](c2ccco2)S1)\c1ccc(OCc2ccccc2)cc1 ZINC000059461377 557821343 /nfs/dbraw/zinc/82/13/43/557821343.db2.gz FVGCLJVNGAORAS-DWYQAMBJSA-N 0 0 428.513 6.456 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3[N+](=O)[O-])nc2-c2ccccc2)cc1 ZINC000059463670 557821545 /nfs/dbraw/zinc/82/15/45/557821545.db2.gz BXIVRETUZCUOBY-OEAKJJBVSA-N 0 0 430.445 6.044 40 30 IKEBRN COc1ccccc1/C=N/c1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000059463697 557821561 /nfs/dbraw/zinc/82/15/61/557821561.db2.gz AVZCZEUQHMQXOO-MFKUBSTISA-N 0 0 429.501 6.453 40 30 IKEBRN COc1cccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000059463695 557821563 /nfs/dbraw/zinc/82/15/63/557821563.db2.gz ARKLOOIYWVBLTR-MFKUBSTISA-N 0 0 429.501 6.453 40 30 IKEBRN COc1cccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000059463725 557821730 /nfs/dbraw/zinc/82/17/30/557821730.db2.gz WGRSRDDYFFMEOS-AFUMVMLFSA-N 0 0 449.919 6.798 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3OC)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463757 557821753 /nfs/dbraw/zinc/82/17/53/557821753.db2.gz XNGWWYJUZWHDKM-MFKUBSTISA-N 0 0 445.500 6.153 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccc(OC)cc2)cc1 ZINC000059464318 557821771 /nfs/dbraw/zinc/82/17/71/557821771.db2.gz QBADWENEYOOEDR-CVKSISIWSA-N 0 0 434.948 6.898 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3F)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463777 557821819 /nfs/dbraw/zinc/82/18/19/557821819.db2.gz VOKHWINTGRNDLO-VULFUBBASA-N 0 0 431.492 6.892 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1 ZINC000059463719 557821820 /nfs/dbraw/zinc/82/18/20/557821820.db2.gz LTFWFGCOYNIEQY-DHRITJCHSA-N 0 0 437.883 6.928 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000059301976 557821953 /nfs/dbraw/zinc/82/19/53/557821953.db2.gz KBHFXRIFBFJHDK-LSHDLFTRSA-N 0 0 441.177 7.559 40 30 IKEBRN C=CCc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc(OCC)c1O ZINC000059302662 557822209 /nfs/dbraw/zinc/82/22/09/557822209.db2.gz UBBWRDNNVZHPBN-PCLIKHOPSA-N 0 0 434.517 6.329 40 30 IKEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccccc2)ccc1OCc1ccccc1Cl ZINC000059399007 557822591 /nfs/dbraw/zinc/82/25/91/557822591.db2.gz JJMUFOIFNSRFEB-XSFVSMFZSA-N 0 0 433.891 5.662 40 30 IKEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccccc1OCc1ccccc1F ZINC000059418047 557823006 /nfs/dbraw/zinc/82/30/06/557823006.db2.gz VIEDMCPKHNFAQG-FYJGNVAPSA-N 0 0 438.911 5.950 40 30 IKEBRN C=CCn1c(C)c(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c2ccccc21 ZINC000059567020 557824316 /nfs/dbraw/zinc/82/43/16/557824316.db2.gz OOACPFGITQTIQY-UNOMPAQXSA-N 0 0 442.371 6.334 40 30 IKEBRN CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)c(OCC)c1 ZINC000059484204 557825045 /nfs/dbraw/zinc/82/50/45/557825045.db2.gz UUFYSFDSPMGQDJ-UHFFFAOYSA-N 0 0 437.580 5.457 40 30 IKEBRN C=CCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000059484216 557825082 /nfs/dbraw/zinc/82/50/82/557825082.db2.gz NHNPLTAYKYQWFJ-WPWMEQJKSA-N 0 0 445.975 7.141 40 30 IKEBRN CN(C)c1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059484264 557825282 /nfs/dbraw/zinc/82/52/82/557825282.db2.gz KQYMIWGHKXTVLL-PCLIKHOPSA-N 0 0 443.532 5.897 40 30 IKEBRN CCOc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(OCC)c1 ZINC000059484235 557825307 /nfs/dbraw/zinc/82/53/07/557825307.db2.gz MXJCEYIFGMPEKH-OVVQPSECSA-N 0 0 443.572 6.721 40 30 IKEBRN COc1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c(OC)c1 ZINC000059484361 557825321 /nfs/dbraw/zinc/82/53/21/557825321.db2.gz RIKJBNNRUAVHNM-WGOQTCKBSA-N 0 0 429.545 6.249 40 30 IKEBRN O=C(Oc1ccccc1/C=N/c1ccc(Cl)cc1)c1sc2ccccc2c1Cl ZINC000059500721 557826478 /nfs/dbraw/zinc/82/64/78/557826478.db2.gz SZIXOBRDXJJKSA-DHRITJCHSA-N 0 0 426.324 7.178 40 30 IKEBRN CC(=O)c1ccc(N=Cc2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000059500718 557826483 /nfs/dbraw/zinc/82/64/83/557826483.db2.gz VZISWLZFVMVQIA-VULFUBBASA-N 0 0 433.916 6.727 40 30 IKEBRN COC(=O)c1ccccc1/N=C/c1ccc(OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000059500707 557826495 /nfs/dbraw/zinc/82/64/95/557826495.db2.gz UXMAAKCONUTLBN-VULFUBBASA-N 0 0 449.915 6.311 40 30 IKEBRN CC(=O)c1ccc(N=Cc2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)cc1 ZINC000059500703 557826500 /nfs/dbraw/zinc/82/65/00/557826500.db2.gz OLUWXTSJSOAPNH-VULFUBBASA-N 0 0 433.916 6.727 40 30 IKEBRN COC(=O)c1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000059500714 557826521 /nfs/dbraw/zinc/82/65/21/557826521.db2.gz BGEAOHRYQRFXKS-VULFUBBASA-N 0 0 449.915 6.311 40 30 IKEBRN CC(N=Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000059500251 557826535 /nfs/dbraw/zinc/82/65/35/557826535.db2.gz HJPXHSNWFPACKZ-MUFRIFMGSA-N 0 0 440.467 5.103 40 30 IKEBRN O=[N+]([O-])c1ccc(Oc2ccc(C=NNc3nc4ccccc4s3)cc2)c([N+](=O)[O-])c1 ZINC000059514296 557826875 /nfs/dbraw/zinc/82/68/75/557826875.db2.gz OCUJMQUIRNMCCW-CIAFOILYSA-N 0 0 435.421 5.351 40 30 IKEBRN COC(=O)c1cccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)c1 ZINC000059503595 557826899 /nfs/dbraw/zinc/82/68/99/557826899.db2.gz PVDAMNVRAOQMAP-VULFUBBASA-N 0 0 449.915 6.311 40 30 IKEBRN O=C(Oc1cccc(/C=N/c2ccc3ccccc3c2)c1)c1sc2ccccc2c1Cl ZINC000059503593 557826940 /nfs/dbraw/zinc/82/69/40/557826940.db2.gz RVSKCBNTNGJOJO-LQKURTRISA-N 0 0 441.939 7.678 40 30 IKEBRN Brc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)oc1N1CCOCC1 ZINC000059678249 557828304 /nfs/dbraw/zinc/82/83/04/557828304.db2.gz QNHSMYYPQSDORP-HZHRSRAPSA-N 0 0 426.314 5.373 40 30 IKEBRN CCc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)S2)cc1 ZINC000059678960 557828536 /nfs/dbraw/zinc/82/85/36/557828536.db2.gz HBNXLMZSTPNCMX-ATVHPVEESA-N 0 0 446.370 5.096 40 30 IKEBRN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccccc1O ZINC000000855511 557830175 /nfs/dbraw/zinc/83/01/75/557830175.db2.gz YCFCNJOAWORSMM-UHFFFAOYSA-N 0 0 437.524 5.724 40 30 IKEBRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C ZINC000123290357 557837329 /nfs/dbraw/zinc/83/73/29/557837329.db2.gz CYPQELKXBYBDOE-VKCXERJYSA-N 0 0 446.628 5.154 40 30 IKEBRN COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C ZINC000123290840 557837346 /nfs/dbraw/zinc/83/73/46/557837346.db2.gz CYPQELKXBYBDOE-ABZSAFSGSA-N 0 0 446.628 5.154 40 30 IKEBRN Brc1ccc2nc(N=NCc3c[nH]c4ccccc34)nc(-c3ccccc3)c2c1 ZINC000096241092 557837924 /nfs/dbraw/zinc/83/79/24/557837924.db2.gz REQADNDMPFXOST-WGARJPEWSA-N 0 0 442.320 5.987 40 30 IKEBRN C=C(C)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000006303891 560205515 /nfs/dbraw/zinc/20/55/15/560205515.db2.gz MQYXUWHLBZFQQO-DCTTWMPASA-N 0 0 426.729 8.025 40 30 in-vitro IKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc(OC)c1O ZINC000003961023 562940104 /nfs/dbraw/zinc/94/01/04/562940104.db2.gz NLRWKQMNEFGWES-MFKUBSTISA-N 0 0 431.517 5.646 40 30 IKEBRN CC(=O)[C@@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004172334 562942454 /nfs/dbraw/zinc/94/24/54/562942454.db2.gz AHBKIEXBQNRDNL-FVCOMRFXSA-N 0 0 448.603 5.744 40 30 in-man IKEBRN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1nnc(-c2ccccc2)o1 ZINC000006474363 562946794 /nfs/dbraw/zinc/94/67/94/562946794.db2.gz LOFPBEUCAOSEMV-UHFFFAOYSA-N 0 0 446.535 6.630 40 30 IKEBRN COc1ccc(-c2cc(C(=O)Nc3sc4c(c3C#N)CCCC4)c3ccccc3n2)cc1 ZINC000007060148 562948682 /nfs/dbraw/zinc/94/86/82/562948682.db2.gz LCUXFGFBCCVQAO-UHFFFAOYSA-N 0 0 439.540 5.975 40 30 IKEBRN CCCCCCCCCCCCCCCCCC(=O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C ZINC000008195646 562949152 /nfs/dbraw/zinc/94/91/52/562949152.db2.gz FNPHNLNTJNMAEE-QHCPKHFHSA-O 0 0 428.678 6.341 40 30 endogenous,in-man IKEBRN N#Cc1cc(Cl)cc(Oc2cc(OCc3[nH]nc4nc(N)ccc34)ccc2Cl)c1 ZINC000034891728 563088485 /nfs/dbraw/zinc/08/84/85/563088485.db2.gz KXDIHAQCVNNLIB-UHFFFAOYSA-N 0 0 426.263 5.090 40 30 in-vivo IKEBRN N#Cc1ccc(-c2ccc(NC(=O)Nc3ccc(-c4ccnc5[nH]cnc54)cc3)cc2)cc1 ZINC000073293204 563171927 /nfs/dbraw/zinc/17/19/27/563171927.db2.gz FEDMEJWMCJAMHE-UHFFFAOYSA-N 0 0 430.471 5.808 40 30 in-vitro IKEBRN COc1ccc2[nH]c(CN3CCCC[C@@H]3c3csc(Nc4cc(C#N)ccn4)n3)cc2c1 ZINC000585293914 568632591 /nfs/dbraw/zinc/63/25/91/568632591.db2.gz BTOSFIFJWBBMJN-JOCHJYFZSA-N 0 0 444.564 5.370 40 30 IKEBRN N#Cc1ccc(Nc2nccc([C@@H]3CCCN3Cc3ccccc3OC3CCCC3)n2)cn1 ZINC000585295082 568632708 /nfs/dbraw/zinc/63/27/08/568632708.db2.gz ZKAMLLNXPPJZCI-DEOSSOPVSA-N 0 0 440.551 5.145 40 30 IKEBRN N#Cc1ccnc(Nc2nc([C@@H]3CCCCN3Cc3cnn(C4CCCC4)c3)cs2)c1 ZINC000585295358 568633081 /nfs/dbraw/zinc/63/30/81/568633081.db2.gz WNJKDOLRBZKQEG-NRFANRHFSA-N 0 0 433.585 5.192 40 30 IKEBRN N#Cc1ccc(CSc2nnc(CNc3ccc(F)cc3)n2Cc2ccccc2)cc1 ZINC000000923530 568637421 /nfs/dbraw/zinc/63/74/21/568637421.db2.gz PBJKVEQKSIUHTF-UHFFFAOYSA-N 0 0 429.524 5.242 40 30 IKEBRN COc1ccc(-c2c(C#N)c(SCC(=O)c3ccc(C)cc3)nc3c2CCCC3)cc1 ZINC000015303678 568755039 /nfs/dbraw/zinc/75/50/39/568755039.db2.gz RMISXZSCNXAHLI-UHFFFAOYSA-N 0 0 428.557 5.791 40 30 IKEBRN C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000043743141 568760105 /nfs/dbraw/zinc/76/01/05/568760105.db2.gz MQYXUWHLBZFQQO-VKZILGBASA-N 0 0 426.729 8.025 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3ccc4ccccc4c3)sc2C1 ZINC000032124574 568781510 /nfs/dbraw/zinc/78/15/10/568781510.db2.gz SNBVGCMWVLTGCW-GOSISDBHSA-N 0 0 434.630 6.655 40 30 IKEBRN CC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 ZINC000002772329 568789096 /nfs/dbraw/zinc/78/90/96/568789096.db2.gz YEARYHYSBIPYSN-QFIPXVFZSA-N 0 0 436.621 5.506 40 30 IKEBRN COc1ccc(/C=N/n2c(SC)nnc2C(F)F)cc1COc1ccc(C(C)C)cc1 ZINC000002791483 568789387 /nfs/dbraw/zinc/78/93/87/568789387.db2.gz HKGGELAWVCUKHX-BRJLIKDPSA-N 0 0 446.523 5.531 40 30 IKEBRN O=C(Nc1ccc(Cl)cc1)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F ZINC000098001583 568794872 /nfs/dbraw/zinc/79/48/72/568794872.db2.gz KXIPHUDICGRBFF-MRVPVSSYSA-N 0 0 439.608 5.314 40 30 IKEBRN Clc1c(Cl)c(Cl)c(OCC#CI)c(Cl)c1Cl ZINC000098175238 568795045 /nfs/dbraw/zinc/79/50/45/568795045.db2.gz FKGQDTLHOCREKS-UHFFFAOYSA-N 0 0 430.283 5.728 40 30 IKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)cc1 ZINC000013634727 568824070 /nfs/dbraw/zinc/82/40/70/568824070.db2.gz QZIRYQALYMIVQT-DEOSSOPVSA-N 0 0 431.536 5.479 40 30 IKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)cc1 ZINC000013634722 568824148 /nfs/dbraw/zinc/82/41/48/568824148.db2.gz QZIRYQALYMIVQT-XMMPIXPASA-N 0 0 431.536 5.479 40 30 IKEBRN COc1cc(C#Cc2cnc3ccccc3c2)c(OC)cc1C#Cc1cnc2ccccc2c1 ZINC000016194743 568829268 /nfs/dbraw/zinc/82/92/68/568829268.db2.gz YTKWBCLAQSTWNV-UHFFFAOYSA-N 0 0 440.502 5.600 40 30 IKEBRN O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1NCC#CC#Cc1ccccc1 ZINC000016451144 568829739 /nfs/dbraw/zinc/82/97/39/568829739.db2.gz BSHJHVUFHMQGFT-UHFFFAOYSA-N 0 0 434.326 6.104 40 30 IKEBRN CCO[P@](=O)(C#CC(C)(C)C)[C@@H](NCc1ccccc1)c1ccc(Br)cc1 ZINC000016688012 568829929 /nfs/dbraw/zinc/82/99/29/568829929.db2.gz PUUDWNUNBVTUBV-JIPXPUAJSA-N 0 0 448.341 6.559 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=S)N(Cc3ccc(OC)cc3)C2=O)cc1OCC ZINC000016688997 568829961 /nfs/dbraw/zinc/82/99/61/568829961.db2.gz OBYLQELKWCYVSP-STZFKDTASA-N 0 0 441.574 5.060 40 30 IKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(=O)OCC)cc1OC ZINC000016682873 568830030 /nfs/dbraw/zinc/83/00/30/568830030.db2.gz XAZKCCIPBRQRHW-JCMHNJIXSA-N 0 0 447.531 5.144 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(C)c1 ZINC000016788931 568830378 /nfs/dbraw/zinc/83/03/78/568830378.db2.gz WQFONXROMUQMQV-UHFFFAOYSA-N 0 0 433.364 5.477 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(C)cc1 ZINC000016788755 568830393 /nfs/dbraw/zinc/83/03/93/568830393.db2.gz AUIZICGVNRNRNL-UHFFFAOYSA-N 0 0 433.364 5.477 40 30 IKEBRN C=CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1c(Cl)cccc1Cl ZINC000016789597 568830414 /nfs/dbraw/zinc/83/04/14/568830414.db2.gz JQWKEZQLZZQIOX-UHFFFAOYSA-N 0 0 439.393 5.154 40 30 IKEBRN COC(=O)N[C@H](Sc1cccc2ncccc21)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000101673277 568849466 /nfs/dbraw/zinc/84/94/66/568849466.db2.gz JUDIXCYARVSOEV-GFCCVEGCSA-N 0 0 448.335 5.180 40 30 IKEBRN C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cccc(C)c2C)S1(=O)=O ZINC000020063609 568855508 /nfs/dbraw/zinc/85/55/08/568855508.db2.gz ZPMVGRCUWQFALA-UHFFFAOYSA-N 0 0 444.556 5.037 40 30 IKEBRN C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cc(C)ccc2C)S1(=O)=O ZINC000020063587 568855519 /nfs/dbraw/zinc/85/55/19/568855519.db2.gz CHFDZCRATIGCFJ-UHFFFAOYSA-N 0 0 444.556 5.037 40 30 IKEBRN C=CCc1cc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1OC ZINC000020110901 568855737 /nfs/dbraw/zinc/85/57/37/568855737.db2.gz ZTFPEVZNTNPGRP-UHFFFAOYSA-N 0 0 442.559 6.226 40 30 IKEBRN C=CCN(CC=C)C(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 ZINC000000980356 568858873 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IKEBRN Cc1ccc(CSc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c2C#N)cc1 ZINC000006245069 568880733 /nfs/dbraw/zinc/88/07/33/568880733.db2.gz HRCGSNORFACBEG-UHFFFAOYSA-N 0 0 426.972 7.541 40 30 IKEBRN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@@H](C)C(=O)Nc3ccccc3)n2)cc1 ZINC000006246175 568880903 /nfs/dbraw/zinc/88/09/03/568880903.db2.gz QHOBASUDHUUCIO-FQEVSTJZSA-N 0 0 449.579 6.715 40 30 IKEBRN C=CCOc1ccc(NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1 ZINC000219961312 568884757 /nfs/dbraw/zinc/88/47/57/568884757.db2.gz MSLWWOMJIKEQMH-UHFFFAOYSA-N 0 0 440.587 5.958 40 30 IKEBRN N#Cc1c(N)c(C#N)c(-c2ccc(Cl)cc2Cl)c2c1CCCCCCCCCC2 ZINC000016385126 568886406 /nfs/dbraw/zinc/88/64/06/568886406.db2.gz YAFMFWAWVNNPQQ-UHFFFAOYSA-N 0 0 426.391 7.205 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3C)c(OC)c2)SC1=S ZINC000026593301 568888286 /nfs/dbraw/zinc/88/82/86/568888286.db2.gz FNFQJJNVWSJUNZ-UNOMPAQXSA-N 0 0 445.993 5.623 40 30 IKEBRN CCOC(=O)c1ccc(NC(=S)N2/C(=N/c3ccc(Cl)cc3)SC[C@H]2CC)cc1 ZINC000102909260 568890063 /nfs/dbraw/zinc/89/00/63/568890063.db2.gz QGCYUXZZCQTEAX-GOTYSUTNSA-N 0 0 448.013 5.729 40 30 IKEBRN CCOc1ccc(Oc2c(/C=N/c3ccc(C)c(Cl)c3)c(C)nn2-c2ccccc2)cc1 ZINC000102926335 568890597 /nfs/dbraw/zinc/89/05/97/568890597.db2.gz YCHNPAGWOSDECU-OGLMXYFKSA-N 0 0 445.950 7.084 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)SC1=S ZINC000026607863 568892740 /nfs/dbraw/zinc/89/27/40/568892740.db2.gz AVGUGIDJMORGQR-UNOMPAQXSA-N 0 0 445.993 5.623 40 30 IKEBRN Cc1ccc(CSc2nnc(NC(=O)c3sc4cc(F)ccc4c3Cl)s2)cc1 ZINC000027912430 568895130 /nfs/dbraw/zinc/89/51/30/568895130.db2.gz GTHQNGOAWRAROD-UHFFFAOYSA-N 0 0 449.985 6.782 40 30 IKEBRN C=CCn1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cs/c1=N/c1ccc(C)cc1 ZINC000103437177 568896505 /nfs/dbraw/zinc/89/65/05/568896505.db2.gz WGGDGPOSHQUTFQ-AZPGRJICSA-N 0 0 434.649 7.244 40 30 IKEBRN C=CCn1c(-c2cccc([N+](=O)[O-])c2)cs/c1=N/c1ccc(/N=N/c2ccccc2)cc1 ZINC000103460667 568896860 /nfs/dbraw/zinc/89/68/60/568896860.db2.gz 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N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(F)cc1 ZINC000006474303 568919869 /nfs/dbraw/zinc/91/98/69/568919869.db2.gz UDGIGFRFKQEWTH-UHFFFAOYSA-N 0 0 439.515 6.157 40 30 IKEBRN CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(Cc3ccccc3)c2CO1 ZINC000016578236 568922948 /nfs/dbraw/zinc/92/29/48/568922948.db2.gz XTQNQRJARLZSQB-UHFFFAOYSA-N 0 0 446.934 5.310 40 30 IKEBRN COc1cc(/C=C/c2nc(C#N)c(NCc3ccc(Cl)cc3)o2)cc(OC)c1OC ZINC000016768454 569161390 /nfs/dbraw/zinc/16/13/90/569161390.db2.gz DFYIOAUXDSBAHB-RMKNXTFCSA-N 0 0 425.872 5.008 40 30 IKEBRN CCCCCCNc1c(Cc2ccc(Cl)cc2)c(C)c(C#N)c2nc3ccccc3n21 ZINC000016805102 569162133 /nfs/dbraw/zinc/16/21/33/569162133.db2.gz SKMRULKBLFOQHV-UHFFFAOYSA-N 0 0 430.983 6.904 40 30 IKEBRN CCc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1 ZINC000017094588 569172390 /nfs/dbraw/zinc/17/23/90/569172390.db2.gz VAEBNLXOLHJRLA-INIZCTEOSA-N 0 0 425.623 5.460 40 30 IKEBRN Cc1cc(C)cc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000017094591 569172746 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5.033 40 30 IKEBRN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)c(F)c1 ZINC000017098375 569173833 /nfs/dbraw/zinc/17/38/33/569173833.db2.gz ICUYHGBRLZXIJT-UHFFFAOYSA-N 0 0 433.442 6.425 40 30 IKEBRN c1ccc([C@H]2C/C(=N\N=C3/C[C@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 ZINC000033961009 569184920 /nfs/dbraw/zinc/18/49/20/569184920.db2.gz YRRHIUDRTJZIPK-GERUXKALSA-N 0 0 444.534 6.928 40 30 IKEBRN CC1(C)[C@H](O[C@H](C#N)c2cnc3ccccc3c2)[C@H]1C=C(Br)Br ZINC000254405780 569209240 /nfs/dbraw/zinc/20/92/40/569209240.db2.gz LAVBPVFCUCRKLJ-FRFSOERESA-N 0 0 436.147 5.472 40 30 IKEBRN C=CCSc1nnc2c(n1)O[C@H]([C@H]1C[C@H]3C(=CCCC3(C)C)C[C@H]1C)Nc1ccccc1-2 ZINC000009601834 569215793 /nfs/dbraw/zinc/21/57/93/569215793.db2.gz FFPWFNSTHNZZLR-KNLNXMFASA-N 0 0 448.636 6.356 40 30 IKEBRN N#CC(C#N)=c1ccc2c(c1)N1C(c3ccccc3)=C[C@@H](c3ccccc3)[C@@H]3CCCC[C@@]31N=2 ZINC000002274966 569217165 /nfs/dbraw/zinc/21/71/65/569217165.db2.gz OTRFRNNIWWWYJW-JCGRVDTESA-N 0 0 440.550 5.049 40 30 IKEBRN Clc1ccccc1CN/N=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000008811290 569219118 /nfs/dbraw/zinc/21/91/18/569219118.db2.gz MYBKCKJLVPGFFD-AFUMVMLFSA-N 0 0 429.745 5.805 40 30 IKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1cccc(Cl)c1 ZINC000008811903 569219139 /nfs/dbraw/zinc/21/91/39/569219139.db2.gz UUVBITJNJYBRCK-VULFUBBASA-N 0 0 429.347 6.095 40 30 IKEBRN N#Cc1ccccc1COc1ccc2ccccc2c1/C=N/NCc1ccccc1Cl ZINC000008811989 569219144 /nfs/dbraw/zinc/21/91/44/569219144.db2.gz LCNDCHSQGUHDPC-OCSSWDANSA-N 0 0 425.919 6.068 40 30 IKEBRN Clc1ccc(Cn2cc(/C=N/NCc3ccccc3Cl)c3ccccc32)cc1Cl ZINC000008811557 569219146 /nfs/dbraw/zinc/21/91/46/569219146.db2.gz SAZWGJOQIOZUJB-XODNFHPESA-N 0 0 442.777 6.774 40 30 IKEBRN COc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000008811354 569219155 /nfs/dbraw/zinc/21/91/55/569219155.db2.gz UAQUEASYLVPTMX-RPPGKUMJSA-N 0 0 449.765 6.358 40 30 IKEBRN N#Cc1ccc(COc2ccc3ccccc3c2/C=N/NCc2ccccc2Cl)cc1 ZINC000008811991 569219170 /nfs/dbraw/zinc/21/91/70/569219170.db2.gz 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ZINC000010118894 569221391 /nfs/dbraw/zinc/22/13/91/569221391.db2.gz DUSFOKDWVAPDMY-AFUMVMLFSA-N 0 0 429.745 5.805 40 30 IKEBRN COc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl ZINC000010119062 569221392 /nfs/dbraw/zinc/22/13/92/569221392.db2.gz GSXHXFMGIVQVSA-UVHMKAGCSA-N 0 0 449.765 6.358 40 30 IKEBRN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1cccc(C)c1 ZINC000022010728 569241604 /nfs/dbraw/zinc/24/16/04/569241604.db2.gz HZROBNPZHKYGFO-UHFFFAOYSA-N 0 0 428.355 5.177 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3nc4sc5c(c4c(Cl)n3)CCCC5)cc2)cc1 ZINC000028219422 569243297 /nfs/dbraw/zinc/24/32/97/569243297.db2.gz YRHSZQRXIYIGES-MZJWZYIUSA-N 0 0 447.991 6.862 40 30 IKEBRN C=CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccco1 ZINC000033655116 569245313 /nfs/dbraw/zinc/24/53/13/569245313.db2.gz DDXWKOFPDLGSSN-UHFFFAOYSA-N 0 0 428.602 5.310 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2nc(C)cs2)nnc1-c1cc2cc(Cl)ccc2o1 ZINC000033732786 569246209 /nfs/dbraw/zinc/24/62/09/569246209.db2.gz SXILWYLIBFAYQJ-UHFFFAOYSA-N 0 0 445.957 5.026 40 30 IKEBRN C=CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 ZINC000033733309 569246278 /nfs/dbraw/zinc/24/62/78/569246278.db2.gz YQMODNPEJLMUOM-MRXNPFEDSA-N 0 0 426.973 5.209 40 30 IKEBRN C=CCn1c(SCc2ccccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000033739548 569246378 /nfs/dbraw/zinc/24/63/78/569246378.db2.gz HTHSZIDWDMDZML-AWEZNQCLSA-N 0 0 447.391 5.554 40 30 IKEBRN C=CCOc1ccc(/C=C2/SC(=S)N(c3ccc(OCC)cc3)C2=O)cc1OC ZINC000060512728 569249916 /nfs/dbraw/zinc/24/99/16/569249916.db2.gz APBAQZWFRXIAKX-XSFVSMFZSA-N 0 0 427.547 5.065 40 30 IKEBRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(/C)CC/C=C(/C)CC[C@@H]1OC1(C)C ZINC000085546176 569250162 /nfs/dbraw/zinc/25/01/62/569250162.db2.gz QYIMSPSDBYKPPY-OVIVWFPBSA-N 0 0 426.729 9.816 40 30 IKEBRN COc1cc(CN=Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1 ZINC000011991787 569261654 /nfs/dbraw/zinc/26/16/54/569261654.db2.gz NRDZMCPAUOOMIA-CVKSISIWSA-N 0 0 429.545 6.152 40 30 IKEBRN CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1cc(OC)ccc1OC ZINC000033653482 569261699 /nfs/dbraw/zinc/26/16/99/569261699.db2.gz NFYATLOUWOPJQH-QFEZKATASA-N 0 0 448.540 6.011 40 30 IKEBRN CCOc1cc(/C=N\OCC(=O)Nc2cccc(C)c2C)ccc1OCc1ccccc1 ZINC000033370661 569261765 /nfs/dbraw/zinc/26/17/65/569261765.db2.gz RNOMVWFMSJPPAI-YUMHPJSZSA-N 0 0 432.520 5.270 40 30 IKEBRN COc1cc(/C=N\OCC(=O)Nc2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 ZINC000033787294 569261836 /nfs/dbraw/zinc/26/18/36/569261836.db2.gz IGVLEFXXLKFLIN-ZMFRSBBQSA-N 0 0 442.874 5.056 40 30 IKEBRN COc1ccc([C@H](C)C2=C(c3c(N)ccc4ccccc43)CC(C)(C)CC2=O)cc1[N+](=O)[O-] ZINC000033903889 569261858 /nfs/dbraw/zinc/26/18/58/569261858.db2.gz IEXVMBAURGKIMU-INIZCTEOSA-N 0 0 444.531 6.285 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(CN=Nc3ccc(C(F)(F)F)cn3)c2)cc1C ZINC000033709451 569261875 /nfs/dbraw/zinc/26/18/75/569261875.db2.gz WVPRBWAXUIWJPR-NVJOKUIPSA-N 0 0 442.441 5.181 40 30 IKEBRN O=C(CO/N=C\c1ccccc1OCc1ccccc1Cl)Nc1ccc(Cl)cc1 ZINC000033658814 569261877 /nfs/dbraw/zinc/26/18/77/569261877.db2.gz CRGKQOHDDLLEDG-MXAYSNPKSA-N 0 0 429.303 5.562 40 30 IKEBRN COc1cccc(/C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccc(Cl)cc1Cl ZINC000033733128 569261886 /nfs/dbraw/zinc/26/18/86/569261886.db2.gz QEIDQYPNOXDRFG-GATIEOLUSA-N 0 0 442.302 5.501 40 30 IKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000034766636 569262014 /nfs/dbraw/zinc/26/20/14/569262014.db2.gz BPAMXDVKVSLFPZ-NUGSKGIGSA-N 0 0 446.787 5.052 40 30 IKEBRN CCOc1cc(Cl)cc(/C=N/c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1O ZINC000038179856 569262143 /nfs/dbraw/zinc/26/21/43/569262143.db2.gz AEEHNYUFLBUBKR-DHRITJCHSA-N 0 0 429.303 6.101 40 30 IKEBRN C=CCN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O ZINC000039556822 569262169 /nfs/dbraw/zinc/26/21/69/569262169.db2.gz LQLIXIMZBBPLNH-YBFXNURJSA-N 0 0 426.303 5.075 40 30 IKEBRN Cc1ccc(-c2nc3cc(/N=C/c4cc(Cc5ccccc5)ccc4O)ccc3o2)cc1C ZINC000038179881 569262177 /nfs/dbraw/zinc/26/21/77/569262177.db2.gz FUODRZXTBQQYMN-UXHLAJHPSA-N 0 0 432.523 7.159 40 30 IKEBRN O=C(Nc1ccc(/N=C/c2cc(Br)ccc2O)cc1)c1cccc(Cl)c1 ZINC000038179849 569262180 /nfs/dbraw/zinc/26/21/80/569262180.db2.gz MKNSLOIUFPKONX-FSJBWODESA-N 0 0 429.701 5.811 40 30 IKEBRN COc1cc(/C=N\OCC(=O)Nc2ccccc2)cc(Cl)c1OCc1ccccc1F ZINC000108130421 569262397 /nfs/dbraw/zinc/26/23/97/569262397.db2.gz PSCURWIBFDJKMW-ZMFRSBBQSA-N 0 0 442.874 5.056 40 30 IKEBRN CCOc1cc(/C=N\OCC(=O)Nc2ccc(C)cc2)ccc1OCc1ccc(C)cc1 ZINC000107948875 569262417 /nfs/dbraw/zinc/26/24/17/569262417.db2.gz FWEOMADNLIEDOX-YUMHPJSZSA-N 0 0 432.520 5.270 40 30 IKEBRN CCNC(=S)N/N=C/c1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc21 ZINC000109041082 569262538 /nfs/dbraw/zinc/26/25/38/569262538.db2.gz GSPFHENXPPSUQE-BRJLIKDPSA-N 0 0 432.376 5.544 40 30 IKEBRN CCCCCCCCOc1ccc(Cl)cc1C=C1SC(Nc2ccccc2)=NC1=O ZINC000109122809 569262542 /nfs/dbraw/zinc/26/25/42/569262542.db2.gz YOQBPTMGBDAYLV-OQKWZONESA-N 0 0 443.012 7.162 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc(-c3ccccc3)cc2)cc1I ZINC000165475938 569262635 /nfs/dbraw/zinc/26/26/35/569262635.db2.gz YIWZSPDRVZBGIL-HZHRSRAPSA-N 0 0 427.285 6.108 40 30 IKEBRN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]12 ZINC000003982476 569262805 /nfs/dbraw/zinc/26/28/05/569262805.db2.gz FVWJYYTZTCVBKE-HFYSJIAGSA-N 0 0 442.728 6.997 40 30 IKEBRN C=C(C)[C@@H]1CC[C@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000003978652 569262809 /nfs/dbraw/zinc/26/28/09/569262809.db2.gz FVWJYYTZTCVBKE-GLDRGLGUSA-N 0 0 442.728 6.997 40 30 IKEBRN Cc1cc(N=C[C@@H](C#N)c2ccc(C(C#N)=Nc3ccc(N(C)C)cc3)cc2)cc(C)c1N=O ZINC000245239353 569269555 /nfs/dbraw/zinc/26/95/55/569269555.db2.gz ICDYXACODOPILD-JOCHJYFZSA-N 0 0 448.530 6.421 40 30 IKEBRN CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)C#Cc4ccccc4)[C@H]3CC[C@H]2C1 ZINC000245238789 569269566 /nfs/dbraw/zinc/26/95/66/569269566.db2.gz AXNNSHMUJUSTKY-KEZZCTRTSA-N 0 0 434.620 5.744 40 30 IKEBRN COc1ccc(C(=O)[C@H](C)[C@@H](C#Cc2ccccc2)[C@H](C)C(=O)c2ccc(OC)cc2)cc1 ZINC000245377150 569269872 /nfs/dbraw/zinc/26/98/72/569269872.db2.gz HILOGFVLUZLEML-AGPMEKIXSA-N 0 0 440.539 5.710 40 30 IKEBRN Fc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cc(C(F)F)n2)s1 ZINC000252480016 569271332 /nfs/dbraw/zinc/27/13/32/569271332.db2.gz BRQQZQGYTSCQGG-ODCIPOBUSA-N 0 0 427.249 5.490 40 30 IKEBRN C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1ccc(Br)cc1)C2=O ZINC000253497810 569272817 /nfs/dbraw/zinc/27/28/17/569272817.db2.gz CTGFFXZZHKKDLF-KSOYQNEMSA-N 0 0 441.453 7.444 40 30 IKEBRN C[C@@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000253497847 569272847 /nfs/dbraw/zinc/27/28/47/569272847.db2.gz PXDOMWMSMCFAEF-BKKFLPBGSA-N 0 0 444.562 6.254 40 30 IKEBRN Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C1=O)S2 ZINC000253505521 569272960 /nfs/dbraw/zinc/27/29/60/569272960.db2.gz YMDSWPZYGHRYGY-UBBXWXATSA-N 0 0 438.702 8.016 40 30 IKEBRN CO/N=C(\C)[C@@H]1/C(=N\OC)C[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]21C ZINC000253537517 569273061 /nfs/dbraw/zinc/27/30/61/569273061.db2.gz KLCZPBNZZJGNRW-BOLRVDKLSA-N 0 0 432.605 5.212 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@]3(C)[C@@H]4CC[C@@]5(C)CC(=O)C[C@@H]5[C@H]4CC[C@H]3C2)cc1 ZINC000253597588 569273309 /nfs/dbraw/zinc/27/33/09/569273309.db2.gz IFADLLNZMJESQF-GLFFJJMUSA-N 0 0 444.637 5.681 40 30 IKEBRN CC1(C)[C@H](C=C(Br)Br)[C@@H]1O[C@H](C#N)c1cnc2ccccc2c1 ZINC000254405781 569273827 /nfs/dbraw/zinc/27/38/27/569273827.db2.gz LAVBPVFCUCRKLJ-UNEWFSDZSA-N 0 0 436.147 5.472 40 30 IKEBRN N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)o1 ZINC000215154792 569274589 /nfs/dbraw/zinc/27/45/89/569274589.db2.gz DEAZESDZZVBVLG-KEBDBYFISA-N 0 0 438.867 5.847 40 30 IKEBRN CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O ZINC000256454172 569275388 /nfs/dbraw/zinc/27/53/88/569275388.db2.gz XTDMMOAGCXHNPN-LTGKBQHQSA-N 0 0 442.728 7.738 40 30 IKEBRN C=CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)CC(C)(C)C)CC1 ZINC000257315104 569279024 /nfs/dbraw/zinc/27/90/24/569279024.db2.gz UZXWEEHKVDHJLN-UHFFFAOYSA-N 0 0 446.635 5.552 40 30 IKEBRN C=CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCCC2)CC1 ZINC000257321589 569279276 /nfs/dbraw/zinc/27/92/76/569279276.db2.gz WCGONRBEKOTVNB-UHFFFAOYSA-N 0 0 436.621 5.059 40 30 IKEBRN C=CCO/N=C(\CCC)[C@H]1/C(=N/OCC)C[C@@H](C[C@@H](C)SCC)C/C1=N/OCC ZINC000257345405 569279917 /nfs/dbraw/zinc/27/99/17/569279917.db2.gz MSKXSYDVWIKAML-OOWCIHJUSA-N 0 0 425.639 5.688 40 30 IKEBRN CCOc1ccc(Br)c(C=Nc2ccc3oc(-c4ccccc4)nc3c2)c1O ZINC000257345415 569279978 /nfs/dbraw/zinc/27/99/78/569279978.db2.gz SRBMJRDAERVICJ-UHFFFAOYSA-N 0 0 437.293 6.112 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@]23O[C@H]13 ZINC000257348674 569280314 /nfs/dbraw/zinc/28/03/14/569280314.db2.gz HXKDHGZOPCTTAY-PVWRUTMNSA-N 0 0 444.700 7.171 40 30 IKEBRN C=CCN(c1ccc(C(=O)N[C@H](CC)c2ccc(C)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000260565808 569281143 /nfs/dbraw/zinc/28/11/43/569281143.db2.gz VKMKYNUTNUPTDK-RUZDIDTESA-N 0 0 448.588 5.257 40 30 IKEBRN C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc21 ZINC000260567297 569281216 /nfs/dbraw/zinc/28/12/16/569281216.db2.gz KGHQUUXWCVIQHV-YVXPFSDPSA-N 0 0 440.012 6.296 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C)SC1=Nc1ccccc1 ZINC000260570015 569281265 /nfs/dbraw/zinc/28/12/65/569281265.db2.gz TXELPTIDTKVTDG-WNOHRPASSA-N 0 0 431.605 6.332 40 30 IKEBRN CCCN1C(=O)/C(=C/c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)SC1=Nc1ccccc1 ZINC000260572569 569281292 /nfs/dbraw/zinc/28/12/92/569281292.db2.gz WWYSEDDAYLITQW-OSCSYLJYSA-N 0 0 447.648 6.731 40 30 IKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\SC(=Nc4ccccc4)N(C)C3=O)cc21 ZINC000260572380 569281296 /nfs/dbraw/zinc/28/12/96/569281296.db2.gz VCPNZXLBOPGKPA-YOIRLTMBSA-N 0 0 431.605 6.331 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)SC1=Nc1ccccc1 ZINC000260573748 569281306 /nfs/dbraw/zinc/28/13/06/569281306.db2.gz ZOUPOVGIRFKBMS-KXHMDKFRSA-N 0 0 433.621 6.423 40 30 IKEBRN CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@]12C ZINC000253617998 569284424 /nfs/dbraw/zinc/28/44/24/569284424.db2.gz JKWKMORAXJQQSR-UGOKDKHPSA-N 0 0 428.657 7.181 40 30 IKEBRN CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C ZINC000253617996 569284430 /nfs/dbraw/zinc/28/44/30/569284430.db2.gz JKWKMORAXJQQSR-LQLGGTQGSA-N 0 0 428.657 7.181 40 30 IKEBRN Cc1ccccc1N1C2=C(C(=O)c3ccccc32)[C@@H](c2ccccc2)C2=C1CC(C)(C)CC2=O ZINC000008781190 569290618 /nfs/dbraw/zinc/29/06/18/569290618.db2.gz SUIWLRBPDURENZ-SANMLTNESA-N 0 0 445.562 6.850 40 30 IKEBRN Cc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3c(Cl)cccc3Cl)cc1)N2 ZINC000008809792 569290794 /nfs/dbraw/zinc/29/07/94/569290794.db2.gz CWPKVJRKDYJFFN-DSXFLZDRSA-N 0 0 433.382 7.879 40 30 IKEBRN C[C@H]1Sc2ccc(C(=O)N3CCCS/C3=N\c3ccccc3Cl)cc2NC1=O ZINC000008883204 569291885 /nfs/dbraw/zinc/29/18/85/569291885.db2.gz 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CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c1 ZINC000225780342 569408472 /nfs/dbraw/zinc/40/84/72/569408472.db2.gz QRAZAWBYSWDQTR-OAHLLOKOSA-N 0 0 447.362 5.729 40 30 IKEBRN COc1ccc2c(c1)c(/C=C1\Oc3cc(OCc4ccccc4Cl)ccc3C1=O)cn2C ZINC000028182478 569408764 /nfs/dbraw/zinc/40/87/64/569408764.db2.gz RKJRSYUEALDFKR-GATIEOLUSA-N 0 0 445.902 6.036 40 30 IKEBRN CCn1cc(/C=C2\Oc3c(ccc(OCc4ccccc4Cl)c3C)C2=O)c2ccccc21 ZINC000028182542 569408790 /nfs/dbraw/zinc/40/87/90/569408790.db2.gz JTYFRPCPTDKOQO-QFEZKATASA-N 0 0 443.930 6.818 40 30 IKEBRN CCCCN1C(=O)/C(=C2\Sc3ccccc3N2C)S/C1=N/c1cccc2ccccc21 ZINC000003019808 569435556 /nfs/dbraw/zinc/43/55/56/569435556.db2.gz PJPDUHHUSSOTPZ-QPRJYHLLSA-N 0 0 445.613 6.614 40 30 IKEBRN O=[N+]([O-])c1cc(-c2ccc(/C=N/c3ccc(Cl)c(C(F)(F)F)c3)o2)ccc1Cl ZINC000003043248 569438540 /nfs/dbraw/zinc/43/85/40/569438540.db2.gz UQMQMVLUAIYLNB-PGGKNCGUSA-N 0 0 429.181 6.931 40 30 IKEBRN Cc1cc2nc(-c3ccc(C)c(/N=C/c4cc(Br)ccc4O)c3)oc2c(C)c1 ZINC000003068509 569439773 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IKEBRN C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@@H]2[C@@H]1C ZINC000257633908 571860578 /nfs/dbraw/zinc/86/05/78/571860578.db2.gz XWMMEBCFHUKHEX-FJOIJDQBSA-N 0 0 426.729 8.025 40 30 endogenous,in-man IKEBRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]2C1 ZINC000221521253 290697964 /nfs/dbraw/zinc/69/79/64/290697964.db2.gz UKAIYBGRLWQHDQ-GYWOLGCXSA-N 0 0 440.712 7.348 40 30 biogenic,in-vitro IKEBRN C=CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N/c1ccc2ccccc2c1 ZINC000100499551 123485894 /nfs/dbraw/zinc/48/58/94/123485894.db2.gz BOAKFOHGWYGPSQ-QPRJYHLLSA-N 0 0 443.597 6.390 40 30 IKEBRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1 ZINC000204609488 291398392 /nfs/dbraw/zinc/39/83/92/291398392.db2.gz UKAIYBGRLWQHDQ-WWIZHINUSA-N 0 0 440.712 7.348 40 30 biogenic,in-vitro IKEBRN Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3)c2C#N)cc1 ZINC000006246524 193894441 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CRPWWXZGLUDEJF-XODNFHPESA-N 0 0 449.429 5.361 40 30 IKEBRN C/C(=N\c1ccc(Oc2ccc(/N=C(\C)c3ccccc3O)cc2)cc1)c1ccccc1O ZINC000068603052 518471961 /nfs/dbraw/zinc/47/19/61/518471961.db2.gz VWZIISQABNBALW-CZYCKNNWSA-N 0 0 436.511 7.172 40 30 IKEBRN CC(C)(C)C1CCC(N=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)CC1 ZINC000006298142 518603270 /nfs/dbraw/zinc/60/32/70/518603270.db2.gz FXRFGKINKBGCOS-UHFFFAOYSA-N 0 0 429.572 6.363 40 30 IKEBRN C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000043867050 518646932 /nfs/dbraw/zinc/64/69/32/518646932.db2.gz FVWJYYTZTCVBKE-GFEHVKGOSA-N 0 0 442.728 6.997 40 30 in-man IKEBRN C=C(CCC)C1=C(C)C=C2C/C(=C\c3cccc4ccccc34)C(=C)[C@@H]2[C@@H]1c1ccccc1 ZINC000054198334 518649823 /nfs/dbraw/zinc/64/98/23/518649823.db2.gz HVURUKJRTJKPJS-BTVJMYOLSA-N 0 0 428.619 9.196 40 30 IKEBRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCCC(C)(C)O)C[C@@H](O)C[C@@H]1O ZINC000038791777 518657890 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COc1ccc(OC)c([C@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c1 ZINC000013567800 524913610 /nfs/dbraw/zinc/91/36/10/524913610.db2.gz FTDNNXYVSHQFCT-QGZVFWFLSA-N 0 0 439.939 5.521 40 30 IKEBRN COc1ccc(OC)c([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)C3=C2C(=O)CCC3)c1 ZINC000013567958 524913627 /nfs/dbraw/zinc/91/36/27/524913627.db2.gz UWUVTJPUJPKTCF-MRXNPFEDSA-N 0 0 429.875 5.024 40 30 IKEBRN Cc1ccccc1/N=C1\S/C(=C2\Sc3ccccc3N2C)C(=O)N1c1ccccc1 ZINC000013475595 525042686 /nfs/dbraw/zinc/04/26/86/525042686.db2.gz CMBZBZZQESHYBG-QDJRPKQISA-N 0 0 429.570 6.174 40 30 IKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000013567809 525234164 /nfs/dbraw/zinc/23/41/64/525234164.db2.gz ZZHAWMLKVWOEEB-IBGZPJMESA-N 0 0 439.939 5.521 40 30 IKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c(OC)c1 ZINC000013567899 525234541 /nfs/dbraw/zinc/23/45/41/525234541.db2.gz XXFZMRZNFAMHGK-SFHVURJKSA-N 0 0 445.437 5.250 40 30 IKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567789 525234848 /nfs/dbraw/zinc/23/48/48/525234848.db2.gz FCBBOMGSRKHLDF-IBGZPJMESA-N 0 0 449.547 5.185 40 30 IKEBRN COc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000066091553 525385438 /nfs/dbraw/zinc/38/54/38/525385438.db2.gz GDIKTMXIVDPXNX-VWLOTQADSA-N 0 0 444.575 5.555 40 30 IKEBRN COc1ccc([C@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c(OC)c1 ZINC000013567880 525402505 /nfs/dbraw/zinc/40/25/05/525402505.db2.gz JWFFSTHYICHSPV-MRXNPFEDSA-N 0 0 445.437 5.250 40 30 IKEBRN COc1ccc([C@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000013567798 525403056 /nfs/dbraw/zinc/40/30/56/525403056.db2.gz AAXBNBRRJJHSHZ-MRXNPFEDSA-N 0 0 439.939 5.521 40 30 IKEBRN COc1ccc([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c(OC)c1 ZINC000013567900 525403267 /nfs/dbraw/zinc/40/32/67/525403267.db2.gz XXFZMRZNFAMHGK-GOSISDBHSA-N 0 0 445.437 5.250 40 30 IKEBRN Cc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)cc2)cc1 ZINC000223562475 525473544 /nfs/dbraw/zinc/47/35/44/525473544.db2.gz NUDLUESWUABMKE-CIXXEJBXSA-N 0 0 426.604 8.039 40 30 IKEBRN Cc1ccc(S/C(=N/Nc2ccc(Cl)cc2)C(=O)c2ccc3ccccc3c2)cc1 ZINC000100351385 525641094 /nfs/dbraw/zinc/64/10/94/525641094.db2.gz VRSYFMNWEDZONQ-AZPGRJICSA-N 0 0 430.960 7.202 40 30 IKEBRN C[C@@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@]12CC[C@@H](C)CO2 ZINC000118917365 525715571 /nfs/dbraw/zinc/71/55/71/525715571.db2.gz BHUDKWOFZIXCDR-KPQZGTGUSA-N 0 0 426.597 5.101 40 30 IKEBRN Cc1ccc(-c2nc3cc(/N=C/c4ccc(-c5cc(Cl)ccc5Cl)o4)ccc3o2)cc1 ZINC000014920795 525822611 /nfs/dbraw/zinc/82/26/11/525822611.db2.gz IUFAPFHCQSRGAP-CCVNUDIWSA-N 0 0 447.321 8.121 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)cc1 ZINC000016291622 525967803 /nfs/dbraw/zinc/96/78/03/525967803.db2.gz KRPIAXGVVQOJKF-PDGQHHTCSA-N 0 0 432.530 5.507 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)S2)cc1C ZINC000223484121 525968839 /nfs/dbraw/zinc/96/88/39/525968839.db2.gz UWRIMQVPSSLVLU-OYKKKHCWSA-N 0 0 445.632 6.605 40 30 IKEBRN Cc1ccc(/N=C2/Sc3nc4cc(C)cc(C)c4cc3CN2CCN2CCOCC2)cc1 ZINC000013477837 525970363 /nfs/dbraw/zinc/97/03/63/525970363.db2.gz CHGRYVDOMCDAOT-CYYJNZCTSA-N 0 0 446.620 5.088 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C\c3ccc(N(C)C)cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000102421133 525971957 /nfs/dbraw/zinc/97/19/57/525971957.db2.gz JREWQHTZTNRSCL-HXNPFYCNSA-N 0 0 427.573 6.178 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C\c3ccc(O)c(O)c3)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000101018465 525973472 /nfs/dbraw/zinc/97/34/72/525973472.db2.gz MVICUDFZPKLORN-QAQAEODYSA-N 0 0 444.556 6.140 40 30 IKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1ccc(Cl)cc1Cl ZINC000009196477 526093840 /nfs/dbraw/zinc/09/38/40/526093840.db2.gz FDNYPKHPPUIXAH-KIBLKLHPSA-N 0 0 441.189 6.831 40 30 IKEBRN Cc1ccc2[nH]c(=O)c(C=NNc3nc4ccc(Cl)cc4c(-c4ccccc4)n3)cc2c1 ZINC000016348286 526095770 /nfs/dbraw/zinc/09/57/70/526095770.db2.gz MDIPWCFEAAJIPB-MZJWZYIUSA-N 0 0 439.906 5.546 40 30 IKEBRN C[C@H](c1ccccc1)N1C(=S)N=C(N[C@@H](COc2ccccc2)C(C)(C)C)C12CCCC2 ZINC000015162213 526096894 /nfs/dbraw/zinc/09/68/94/526096894.db2.gz IYPSBYONHMKVCN-OFNKIYASSA-N 0 0 449.664 6.143 40 30 IKEBRN Cc1cc(/N=C\[C@@H](C#N)c2ccc(/C(C#N)=N/c3ccc(N(C)C)cc3)cc2)cc(C)c1N=O ZINC000013404269 526098371 /nfs/dbraw/zinc/09/83/71/526098371.db2.gz ICDYXACODOPILD-HWKDPCBGSA-N 0 0 448.530 6.421 40 30 IKEBRN Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCCS/C1=N\c1ccccc1C(C)C ZINC000012530540 526293097 /nfs/dbraw/zinc/29/30/97/526293097.db2.gz WWRKHXUSMPOEBN-RQZHXJHFSA-N 0 0 446.620 5.938 40 30 IKEBRN O=C(CCN1c2ccccc2Sc2ccccc21)N1CCCS/C1=N\c1ccccc1 ZINC000012542584 526496795 /nfs/dbraw/zinc/49/67/95/526496795.db2.gz OTXHVXJOVKUIHT-QPLCGJKRSA-N 0 0 445.613 6.333 40 30 IKEBRN N#C[C@H](N=C(c1ccccc1)c1ccccc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000016451209 526509676 /nfs/dbraw/zinc/50/96/76/526509676.db2.gz LVIHSCNQUPCKOS-XCZPVHLTSA-N 0 0 435.958 6.923 40 30 IKEBRN N#Cc1ccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)cc1 ZINC000009197750 526636468 /nfs/dbraw/zinc/63/64/68/526636468.db2.gz LUDINXOJGLCDST-XODNFHPESA-N 0 0 433.342 5.992 40 30 IKEBRN O=C(c1ccc(Cl)cc1Cl)N(/C=N/c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000102939935 526678559 /nfs/dbraw/zinc/67/85/59/526678559.db2.gz HUZPWANJIGUVCK-BRJLIKDPSA-N 0 0 438.141 7.307 40 30 IKEBRN O=C(c1ccccc1)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccccc1OC1CCCC1 ZINC000036611841 526789769 /nfs/dbraw/zinc/78/97/69/526789769.db2.gz RFHRBOLSRLMGIF-AREMUKBSSA-N 0 0 438.527 5.656 40 30 IKEBRN Cl/C(=C\C=N\N=C\C=C(/Cl)c1ccc2ccccc2c1)c1ccc2ccccc2c1 ZINC000016545719 526922517 /nfs/dbraw/zinc/92/25/17/526922517.db2.gz ZNROLMNGIYQMRQ-XMKUYZSYSA-N 0 0 429.350 7.909 40 30 IKEBRN Clc1ccc(CN=Nc2nc3ccc(Cl)cc3c(-c3ccccc3)n2)c(Cl)c1 ZINC000013126313 526940397 /nfs/dbraw/zinc/94/03/97/526940397.db2.gz XQQNDQNEBKMSEH-BRJLIKDPSA-N 0 0 427.722 6.703 40 30 IKEBRN Clc1ccc(CN=Nc2nnc(N=NCc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000017418790 526940869 /nfs/dbraw/zinc/94/08/69/526940869.db2.gz MFKLZVQXLMLDEA-BKHCZYBLSA-N 0 0 435.318 5.829 40 30 IKEBRN O=C1/C(=N/c2cccc(Cl)c2)C[C@H](c2ccc(Cl)cc2)N1c1cccc(Cl)c1 ZINC000015924502 526948395 /nfs/dbraw/zinc/94/83/95/526948395.db2.gz JQHPQOGMXVPYEK-NBHLSZMOSA-N 0 0 429.734 6.898 40 30 IKEBRN O=C1C(Cl)=C(Oc2ccccc2Cl)C(=O)C(Cl)=C1Oc1ccccc1Cl ZINC000001614484 526958741 /nfs/dbraw/zinc/95/87/41/526958741.db2.gz HXGHNHQAVKGOIQ-UHFFFAOYSA-N 0 0 430.070 5.504 40 30 IKEBRN Clc1cccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)c1Cl ZINC000033398610 526974631 /nfs/dbraw/zinc/97/46/31/526974631.db2.gz KDEOOYRWKMDXQY-OYKKKHCWSA-N 0 0 442.354 5.358 40 30 IKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000001515279 527042093 /nfs/dbraw/zinc/04/20/93/527042093.db2.gz LRAOFPDEFXCXNX-STZFKDTASA-N 0 0 431.473 5.065 40 30 IKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000016451118 527043738 /nfs/dbraw/zinc/04/37/38/527043738.db2.gz HZXBTISGCZQUBM-WOJGMQOQSA-N 0 0 425.853 5.400 40 30 IKEBRN O=[N+]([O-])c1cc2c(cc1CC(=NNc1ccccc1)c1ccccc1)n1n2n1-c1ccccc1 ZINC000013402262 527341837 /nfs/dbraw/zinc/34/18/37/527341837.db2.gz KTTBWFUEGNXKQG-NFFVHWSESA-N 0 0 448.486 5.388 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NC2=C(Cl)C(c3ccccc3)[C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000017044837 527360155 /nfs/dbraw/zinc/36/01/55/527360155.db2.gz KNFNODSXKGDCHS-TUQDJIKESA-N 0 0 448.866 6.109 40 30 IKEBRN O=[N+]([O-])c1cccc(/C=C/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 ZINC000002566848 527383410 /nfs/dbraw/zinc/38/34/10/527383410.db2.gz PQMQLKQXFSQCGQ-HGAXPLMXSA-N 0 0 438.270 7.126 40 30 IKEBRN Nc1ncccc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl ZINC000068568558 527568048 /nfs/dbraw/zinc/56/80/48/527568048.db2.gz SPAMUCFBIITWIL-UHFFFAOYSA-N 0 0 428.604 5.128 40 30 IKEBRN O=C(C(=CNc1ccc(I)cc1)c1ccccc1)c1ccccc1 ZINC000004235495 527591473 /nfs/dbraw/zinc/59/14/73/527591473.db2.gz DOYMYNWPRVWMDR-HKWRFOASSA-N 0 0 425.269 5.627 40 30 IKEBRN O=C(/C=C1\OCCN1C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl ZINC000036625107 527652275 /nfs/dbraw/zinc/65/22/75/527652275.db2.gz PWYJDWZUVITIKE-MFOYZWKCSA-N 0 0 431.102 5.497 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@H]1CO1 ZINC000095676655 527661913 /nfs/dbraw/zinc/66/19/13/527661913.db2.gz NTCFPSIOLPOKNV-VKHMYHEASA-N 0 0 426.119 5.149 40 30 IKEBRN FC(F)(F)c1ccccc1NC(=S)N/N=C/c1c2ccccc2[nH]c1-c1ccccc1 ZINC000003328707 527686857 /nfs/dbraw/zinc/68/68/57/527686857.db2.gz QCPSHYHTHRMICA-MZJWZYIUSA-N 0 0 438.478 6.174 40 30 IKEBRN COc1ccccc1/C=N/Nc1nc(-c2cc3c(ccc4ccccc43)oc2=O)cs1 ZINC000009058707 555508126 /nfs/dbraw/zinc/50/81/26/555508126.db2.gz FOWJSPKAVTXHJL-DHRITJCHSA-N 0 0 427.485 5.524 40 30 IKEBRN CC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3C[C@@H](C(F)(F)F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000000537740 555510414 /nfs/dbraw/zinc/51/04/14/555510414.db2.gz MXZYUFNILISKBC-ZTHGNWFUSA-N 0 0 440.502 5.198 40 30 IKEBRN CCOc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)cc1 ZINC000000830372 555566337 /nfs/dbraw/zinc/56/63/37/555566337.db2.gz INMBJBTYRUWKEK-KWXIBIRDSA-N 0 0 445.522 5.370 40 30 IKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)C(=O)N1CC ZINC000035041801 555700551 /nfs/dbraw/zinc/70/05/51/555700551.db2.gz AAMTVNPOPSFPSV-LRXZINBSSA-N 0 0 444.984 5.630 40 30 IKEBRN N#C[C@]1(Nc2ccc(Br)cc2)C=C(c2ccccc2)[C@@](O)(c2ccccc2)C1 ZINC000001675870 555708939 /nfs/dbraw/zinc/70/89/39/555708939.db2.gz APFZSRPPJUQXLR-ZEQRLZLVSA-N 0 0 431.333 5.498 40 30 IKEBRN O=C(CCC(=O)N=C(c1ccccc1)c1ccccc1)N=C(c1ccccc1)c1ccccc1 ZINC000001679133 555709302 /nfs/dbraw/zinc/70/93/02/555709302.db2.gz PMFYGLOTTGYYKX-UHFFFAOYSA-N 0 0 444.534 5.895 40 30 IKEBRN Cn1c2ccccc2c(C2=CC(=O)c3ccccc3C2=O)c1C1=CC(=O)c2ccccc2C1=O ZINC000001692033 555709641 /nfs/dbraw/zinc/70/96/41/555709641.db2.gz HNZGQJVXOOWVAD-UHFFFAOYSA-N 0 0 443.458 5.104 40 30 IKEBRN C(=N/N(Cc1ccccc1)CN(Cc1ccccc1)/N=C/c1ccccc1)\c1ccccc1 ZINC000001703380 555710248 /nfs/dbraw/zinc/71/02/48/555710248.db2.gz SFCSLWUSEWVDOK-KZOHAVLASA-N 0 0 432.571 6.017 40 30 IKEBRN Brc1ccc(/C=N/c2ccc(/N=C\c3ccc(Br)cc3)cc2)cc1 ZINC000002147141 555749328 /nfs/dbraw/zinc/74/93/28/555749328.db2.gz ABIMDDIMIIGMLZ-NQGGHMMCSA-N 0 0 442.154 6.713 40 30 IKEBRN O=C(/C=C/N1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000002380076 555773974 /nfs/dbraw/zinc/77/39/74/555773974.db2.gz NLVUVQWIHDMUQA-BUHFOSPRSA-N 0 0 436.477 5.891 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(Oc2ccccc2)cc1 ZINC000035111945 555785634 /nfs/dbraw/zinc/78/56/34/555785634.db2.gz LVUSMLFVFAEDMA-BDYUSTAISA-N 0 0 447.534 6.521 40 30 IKEBRN CCCCCCCCOc1ccc(C=C2SC(=Nc3ccccc3Cl)NC2=O)cc1 ZINC000002590361 555789181 /nfs/dbraw/zinc/78/91/81/555789181.db2.gz FNBOUBNCTYESDH-OQKWZONESA-N 0 0 443.012 7.811 40 30 IKEBRN C=CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1Cl ZINC000408571272 555915136 /nfs/dbraw/zinc/91/51/36/555915136.db2.gz ODTPOOHWAUPZAY-IBGZPJMESA-N 0 0 448.907 5.043 40 30 IKEBRN Cc1ccc(Cl)cc1NC(=O)COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 ZINC000408576717 555927245 /nfs/dbraw/zinc/92/72/45/555927245.db2.gz ZONLUVJHCDFFFQ-UHFFFAOYSA-N 0 0 431.875 5.129 40 30 IKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccccc1Br ZINC000408593102 555954912 /nfs/dbraw/zinc/95/49/12/555954912.db2.gz PCNOZTYQNPVFQO-WSDLNYQXSA-N 0 0 428.286 5.316 40 30 IKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408596460 555963192 /nfs/dbraw/zinc/96/31/92/555963192.db2.gz ZLMVJSQGJZWTRT-BRJLIKDPSA-N 0 0 444.846 5.526 40 30 IKEBRN CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 ZINC000004273505 555981131 /nfs/dbraw/zinc/98/11/31/555981131.db2.gz NLWFAEGYIXBBFY-SFPIXGNXSA-N 0 0 442.684 7.139 40 30 IKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@H]5[C@H](C)OC(=O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 ZINC000004293393 555983723 /nfs/dbraw/zinc/98/37/23/555983723.db2.gz GYFDUNYHWOMITG-HTMKDARESA-N 0 0 444.700 7.315 40 30 IKEBRN COC(=O)[C@@H]1C2=C(C(=O)CC1(C)C)[C@@H](c1ccc(C)cc1)c1c(ccc3ccccc31)N2 ZINC000004708001 556007300 /nfs/dbraw/zinc/00/73/00/556007300.db2.gz UTTGRLMJBOCISR-DHLKQENFSA-N 0 0 425.528 5.748 40 30 IKEBRN COC(=O)[C@H]1C2=C(C(=O)CC1(C)C)[C@@H](c1ccc(C)cc1)c1c(ccc3ccccc31)N2 ZINC000004708004 556007313 /nfs/dbraw/zinc/00/73/13/556007313.db2.gz UTTGRLMJBOCISR-WIOPSUGQSA-N 0 0 425.528 5.748 40 30 IKEBRN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(-c2ccccc2)n1 ZINC000004933920 556021764 /nfs/dbraw/zinc/02/17/64/556021764.db2.gz DIDVQQHUMYJCEX-QCZBTCEYSA-N 0 0 447.644 6.396 40 30 in-vitro IKEBRN C/C=C/[C@@H]1C(C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)=CC(C)=C2CC[C@H](C)C[C@@H]21 ZINC000514287864 556025362 /nfs/dbraw/zinc/02/53/62/556025362.db2.gz FCQPLAILVSLWDT-KJSUWIAWSA-N 0 0 431.532 5.933 40 30 biogenic,in-vitro IKEBRN Cn1c2ccccc2nc1NN=Cc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 ZINC000408662255 556043225 /nfs/dbraw/zinc/04/32/25/556043225.db2.gz RDLPRWNYVDMSKH-UVHMKAGCSA-N 0 0 448.357 6.329 40 30 IKEBRN CCCCCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000005340141 556046734 /nfs/dbraw/zinc/04/67/34/556046734.db2.gz MWCIXJJFNQCNSU-YYDJUVGSSA-N 0 0 432.480 6.567 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2Cl)n1/N=C\c1ccc(Cl)cc1Cl ZINC000005706447 556063278 /nfs/dbraw/zinc/06/32/78/556063278.db2.gz QLLFZAVVOKHSGA-ROTLSHHCSA-N 0 0 428.706 5.906 40 30 IKEBRN CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 ZINC000408673550 556064804 /nfs/dbraw/zinc/06/48/04/556064804.db2.gz SVTCDHGMMJKDGZ-DHIUTWEWSA-N 0 0 426.601 6.226 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/C2(c3ccccc3)c3ccccc3-c3ccccc32)cc1 ZINC000005955399 556070824 /nfs/dbraw/zinc/07/08/24/556070824.db2.gz IQWDOFYXFDSDPM-TURZUDJPSA-N 0 0 438.552 5.274 40 30 IKEBRN C=CCn1c(COc2ccccc2OC)nnc1SCc1ccc(Br)cc1 ZINC000035352981 556080977 /nfs/dbraw/zinc/08/09/77/556080977.db2.gz AMGLHPGHHMMVJH-UHFFFAOYSA-N 0 0 446.370 5.107 40 30 IKEBRN CC1(C)OC(c2ccccc2)=C/C(=C/C=C/C(=O)/C=C(\c2ccccc2)N2CCOCC2)O1 ZINC000006232610 556081387 /nfs/dbraw/zinc/08/13/87/556081387.db2.gz SFPHJERGACFUPE-MLRPQVAMSA-N 0 0 443.543 5.193 40 30 IKEBRN C=CCn1c(COc2ccccc2OC)nnc1SCc1ccc(Cl)cc1Cl ZINC000035419778 556100489 /nfs/dbraw/zinc/10/04/89/556100489.db2.gz XHQKRJDBYZQLNB-UHFFFAOYSA-N 0 0 436.364 5.651 40 30 IKEBRN O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1cccc(Br)c1 ZINC000408722462 556148646 /nfs/dbraw/zinc/14/86/46/556148646.db2.gz JBVCJTVHVGWTQN-ATJXCDBQSA-N 0 0 439.265 5.161 40 30 IKEBRN Cc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1Br ZINC000408728376 556163936 /nfs/dbraw/zinc/16/39/36/556163936.db2.gz KQILCPLJGJQKAW-LQKURTRISA-N 0 0 441.328 7.307 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]32C)cc1 ZINC000008615979 556192572 /nfs/dbraw/zinc/19/25/72/556192572.db2.gz FKBGHOIYIHEXNW-GIDFYXQGSA-N 0 0 426.578 5.331 40 30 IKEBRN C(=N/N1CCN(/N=C\c2ccc(-c3ccccc3)cc2)CC1)\c1ccc(-c2ccccc2)cc1 ZINC000008649327 556196592 /nfs/dbraw/zinc/19/65/92/556196592.db2.gz NVZHXALZPYSPSN-FNKNYVMZSA-N 0 0 444.582 6.006 40 30 IKEBRN C/C(=N/NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1cccc2c1OCO2 ZINC000008655627 556197249 /nfs/dbraw/zinc/19/72/49/556197249.db2.gz RXIDOYLAWXOLHZ-UQQQWYQISA-N 0 0 444.597 5.488 40 30 IKEBRN Cc1cc(C=NC2C=C[C@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000408738493 556200193 /nfs/dbraw/zinc/20/01/93/556200193.db2.gz ZOCQXCWYXGJCDZ-XYCPFAMZSA-N 0 0 434.539 5.895 40 30 IKEBRN O=C(Oc1ccc(/C=N/c2ccccc2Cl)cc1)c1sc2ccccc2c1Cl ZINC000408734594 556201097 /nfs/dbraw/zinc/20/10/97/556201097.db2.gz ZDEVLEABTFFGNT-DHRITJCHSA-N 0 0 426.324 7.178 40 30 IKEBRN O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1ccc(Br)cc1 ZINC000035647564 556204313 /nfs/dbraw/zinc/20/43/13/556204313.db2.gz ICPCJTZRLJELSE-NTEUORMPSA-N 0 0 438.144 5.103 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3cc(C(F)(F)F)ccc3Cl)NC2=O)c(OC)c1 ZINC000008820734 556220992 /nfs/dbraw/zinc/22/09/92/556220992.db2.gz ZQEDEEDZDJJDDF-APSNUPSMSA-N 0 0 442.846 5.268 40 30 IKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 ZINC000008820754 556221058 /nfs/dbraw/zinc/22/10/58/556221058.db2.gz NLVJJSJAOWCZIQ-JLPGSUDCSA-N 0 0 444.556 5.864 40 30 IKEBRN C=CCOc1ccccc1/C=C1\S/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)NC1=O ZINC000008820743 556221070 /nfs/dbraw/zinc/22/10/70/556221070.db2.gz DTVDBDNGSWOEMJ-YVLHZVERSA-N 0 0 438.858 5.815 40 30 IKEBRN O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000008820941 556221355 /nfs/dbraw/zinc/22/13/55/556221355.db2.gz SVXXMWGEVKSHSY-HYARGMPZSA-N 0 0 430.916 6.645 40 30 IKEBRN O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820951 556221359 /nfs/dbraw/zinc/22/13/59/556221359.db2.gz BQMCUGLSRAQBAJ-WOJGMQOQSA-N 0 0 448.853 6.510 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1C ZINC000008820816 556221365 /nfs/dbraw/zinc/22/13/65/556221365.db2.gz CRKUKOAHJQEZTE-UCQKPKSFSA-N 0 0 448.975 6.427 40 30 IKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000008820940 556221377 /nfs/dbraw/zinc/22/13/77/556221377.db2.gz YSKMGFFFMQKAPI-HYARGMPZSA-N 0 0 430.916 6.645 40 30 IKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1 ZINC000008821004 556221569 /nfs/dbraw/zinc/22/15/69/556221569.db2.gz LARXBVPZYSCFED-RGVLZGJSSA-N 0 0 443.355 6.762 40 30 IKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000008821073 556221591 /nfs/dbraw/zinc/22/15/91/556221591.db2.gz JTTRPIWOCROVTB-HYARGMPZSA-N 0 0 441.468 5.900 40 30 IKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)S2)cc1 ZINC000008821056 556221606 /nfs/dbraw/zinc/22/16/06/556221606.db2.gz AMJUPPRWENVBDC-DEDYPNTBSA-N 0 0 435.461 5.145 40 30 IKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 ZINC000008820994 556221637 /nfs/dbraw/zinc/22/16/37/556221637.db2.gz CGZXFUMXAHIPDM-UDWIEESQSA-N 0 0 443.355 6.707 40 30 IKEBRN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(Br)cc1 ZINC000008821169 556221946 /nfs/dbraw/zinc/22/19/46/556221946.db2.gz CZVVHGKSZZRQDH-ZROIWOOFSA-N 0 0 427.245 5.360 40 30 IKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008821127 556221976 /nfs/dbraw/zinc/22/19/76/556221976.db2.gz ZTKRVICWMKDTNX-HYARGMPZSA-N 0 0 441.468 5.900 40 30 IKEBRN O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(Br)cc1 ZINC000008821170 556221990 /nfs/dbraw/zinc/22/19/90/556221990.db2.gz FHOJPIVOMCEAOB-ZSOIEALJSA-N 0 0 427.245 5.360 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 ZINC000008821207 556222116 /nfs/dbraw/zinc/22/21/16/556222116.db2.gz KKABQCMGNLSNSV-SXGWCWSVSA-N 0 0 426.847 5.649 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1cccc2ccccc12 ZINC000008821204 556222126 /nfs/dbraw/zinc/22/21/26/556222126.db2.gz OPTMYIJFOLUQCK-VCHYOVAHSA-N 0 0 432.854 6.404 40 30 IKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1 ZINC000008821219 556222187 /nfs/dbraw/zinc/22/21/87/556222187.db2.gz ZRDLAWZWGXDWJA-XDHOZWIPSA-N 0 0 443.355 6.707 40 30 IKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1cccc2ccccc21 ZINC000408750847 556228412 /nfs/dbraw/zinc/22/84/12/556228412.db2.gz SJNGZACJKILOCZ-WGARJPEWSA-N 0 0 428.448 5.177 40 30 IKEBRN CCOc1ccc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1Br ZINC000408753711 556235072 /nfs/dbraw/zinc/23/50/72/556235072.db2.gz HIUZYPZYCPQLIJ-PDGQHHTCSA-N 0 0 431.355 5.302 40 30 IKEBRN Clc1ccc(C=Nc2ccc3[nH]c(-c4ccc(Cl)cc4Cl)nc3c2)c(Cl)c1 ZINC000008935104 556235396 /nfs/dbraw/zinc/23/53/96/556235396.db2.gz BPHVSZDEIYXGOZ-KIBLKLHPSA-N 0 0 435.141 7.594 40 30 IKEBRN Fc1ccc(Cn2cc(/C=N/NCc3c(Cl)cccc3Cl)c3ccccc32)cc1 ZINC000009196059 556254492 /nfs/dbraw/zinc/25/44/92/556254492.db2.gz NLIMYYHRAAGOAP-KKMKTNMSSA-N 0 0 426.322 6.259 40 30 IKEBRN N#Cc1cccc(COc2ccc(Cl)cc2/C=N/NCc2c(Cl)cccc2Cl)c1 ZINC000009196867 556254679 /nfs/dbraw/zinc/25/46/79/556254679.db2.gz WKFIPYGOESGFRR-KKMKTNMSSA-N 0 0 444.749 6.221 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)cc1 ZINC000009196565 556254683 /nfs/dbraw/zinc/25/46/83/556254683.db2.gz NEEZSVGBUDGHPJ-LGJNPRDNSA-N 0 0 444.362 5.701 40 30 IKEBRN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=N/NCc2c(Cl)cccc2Cl)c1C ZINC000009196593 556254780 /nfs/dbraw/zinc/25/47/80/556254780.db2.gz QMXZVPIOEZMFKT-BHGWPJFGSA-N 0 0 447.322 5.441 40 30 IKEBRN COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(F)cc1 ZINC000009197096 556255173 /nfs/dbraw/zinc/25/51/73/556255173.db2.gz XYVFPVRNLYQKLA-RPPGKUMJSA-N 0 0 433.310 5.844 40 30 IKEBRN Cc1ccc(COc2ccc3ccccc3c2/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009197691 556255864 /nfs/dbraw/zinc/25/58/64/556255864.db2.gz ZRCKFXNYPQYOCZ-WKULSOCRSA-N 0 0 449.381 7.158 40 30 IKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)ccc1OC(=O)Nc1ccc(Cl)cc1 ZINC000009232252 556261704 /nfs/dbraw/zinc/26/17/04/556261704.db2.gz TYEUUJVZSBOPRP-UHFFFAOYSA-N 0 0 433.847 5.422 40 30 IKEBRN COc1ccccc1[C@@H]1C2=C(CCCC2=O)Nc2ccccc2N1C(=O)Nc1ccccc1 ZINC000009264190 556270383 /nfs/dbraw/zinc/27/03/83/556270383.db2.gz IMPPQCOCGDBYKU-AREMUKBSSA-N 0 0 439.515 5.908 40 30 IKEBRN C=CCn1c(C)c(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)c2ccccc21 ZINC000009310812 556279269 /nfs/dbraw/zinc/27/92/69/556279269.db2.gz DDVJBTBRYMYXOR-OBUXZSPNSA-N 0 0 431.561 5.386 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000039921290 556438136 /nfs/dbraw/zinc/43/81/36/556438136.db2.gz GSQAAKAOMJBFDI-DEOSSOPVSA-N 0 0 446.528 6.757 40 30 IKEBRN Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O ZINC000408857258 556447097 /nfs/dbraw/zinc/44/70/97/556447097.db2.gz NLYAPLIFVFBOQT-LBLAQESDSA-N 0 0 429.589 6.659 40 30 IKEBRN Cc1cc(C=C2C(=O)c3ccccc3C2=O)cc(C)c1OCc1ccc(Cl)cc1Cl ZINC000408858503 556447494 /nfs/dbraw/zinc/44/74/94/556447494.db2.gz PMFQFKDZBXUWFM-UHFFFAOYSA-N 0 0 437.322 6.652 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2ccc(Cl)cc2C)NC1=O ZINC000408858909 556452319 /nfs/dbraw/zinc/45/23/19/556452319.db2.gz UMUXCOKZNIOQOA-HMAPJEAMSA-N 0 0 436.964 6.482 40 30 IKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000408859718 556452795 /nfs/dbraw/zinc/45/27/95/556452795.db2.gz PVUNVEZLYRQPOG-ZDLGFXPLSA-N 0 0 443.843 5.539 40 30 IKEBRN CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408860429 556453016 /nfs/dbraw/zinc/45/30/16/556453016.db2.gz VLWOGLIFUUPFJF-CINWYSMESA-N 0 0 448.632 6.904 40 30 IKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccccc1 ZINC000408859939 556453044 /nfs/dbraw/zinc/45/30/44/556453044.db2.gz VVEMSJFVKIMMJX-OOJFIWEFSA-N 0 0 426.585 7.023 40 30 IKEBRN CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 ZINC000408860281 556453115 /nfs/dbraw/zinc/45/31/15/556453115.db2.gz ZWQPTVRYNADYKF-IMRQLAEWSA-N 0 0 431.605 6.476 40 30 IKEBRN CCOc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)ccc1OCc1ccccc1 ZINC000408861662 556454968 /nfs/dbraw/zinc/45/49/68/556454968.db2.gz FEAXVQMFFXFBBF-HAHDFKILSA-N 0 0 448.519 5.695 40 30 IKEBRN 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CC(C)N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1ccccc1 ZINC000408911683 556498339 /nfs/dbraw/zinc/49/83/39/556498339.db2.gz NSWWSNAESDJDCY-NFEGURHZSA-N 0 0 433.489 5.867 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c(C)c1 ZINC000408912346 556499021 /nfs/dbraw/zinc/49/90/21/556499021.db2.gz PXKALZFLAMASIN-RNWNAKOZSA-N 0 0 428.557 6.369 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1c(C)cccc1C ZINC000408912197 556499031 /nfs/dbraw/zinc/49/90/31/556499031.db2.gz PITBUMHEGMXMSM-MDIFQPDJSA-N 0 0 447.516 6.096 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2cccc3ccccc23)C(=O)N1C1CCCCC1 ZINC000408912283 556499082 /nfs/dbraw/zinc/49/90/82/556499082.db2.gz MVCWGUNVGFORSZ-HSHJPCDPSA-N 0 0 440.612 7.339 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)c2ccccc12 ZINC000408912532 556499259 /nfs/dbraw/zinc/49/92/59/556499259.db2.gz NLBUKAPREDKXIM-UINIZAEWSA-N 0 0 430.573 6.425 40 30 IKEBRN C=CCc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(OC)c1OCc1ccc(C)cc1 ZINC000408913471 556499381 /nfs/dbraw/zinc/49/93/81/556499381.db2.gz VBDDIJFNSGAQKU-WGARJPEWSA-N 0 0 432.480 5.060 40 30 IKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(Br)cc1O[C@H](C)CC ZINC000408914251 556499636 /nfs/dbraw/zinc/49/96/36/556499636.db2.gz XMOKSIADRXLTAG-MUBJSKCLSA-N 0 0 436.306 5.379 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1CC ZINC000408913736 556499654 /nfs/dbraw/zinc/49/96/54/556499654.db2.gz RKBMHJGMHOJPTH-LBMUFILHSA-N 0 0 447.516 6.041 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(OC)c(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408915354 556500320 /nfs/dbraw/zinc/50/03/20/556500320.db2.gz XSZNVYHAQFZZJL-DNLCFCFBSA-N 0 0 445.382 5.780 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=C1/S/C(=N\c2c(C)cccc2C)N(CC)C1=O ZINC000408914827 556500375 /nfs/dbraw/zinc/50/03/75/556500375.db2.gz XYIZQMLBJPUYJY-BDOZFWBASA-N 0 0 444.600 6.869 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O ZINC000408917219 556501967 /nfs/dbraw/zinc/50/19/67/556501967.db2.gz PFYYQYUTGCYMCN-VXLYETTFSA-N 0 0 448.327 5.251 40 30 IKEBRN CC(C)n1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000408917420 556502004 /nfs/dbraw/zinc/50/20/04/556502004.db2.gz UEZNRXREDWKEKD-PNTLFUMMSA-N 0 0 441.556 6.619 40 30 IKEBRN CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000408917667 556502401 /nfs/dbraw/zinc/50/24/01/556502401.db2.gz ZOTQVKDFBHUIFD-JWMLTMDESA-N 0 0 427.529 6.058 40 30 IKEBRN O=C1c2ccccc2-c2cc(/C(=N\C3CCCCC3)c3ccccc3)c(O)c3cccc1c32 ZINC000015135227 556505816 /nfs/dbraw/zinc/50/58/16/556505816.db2.gz IZZRFLYSTHDSDG-PNOGMODKSA-N 0 0 431.535 6.927 40 30 IKEBRN CC(=O)C(C(=O)c1ccc(C)cc1)=C(SCc1ccccc1)SCc1ccccc1 ZINC000015221034 556511689 /nfs/dbraw/zinc/51/16/89/556511689.db2.gz GWMOTKIZHBTMJV-UHFFFAOYSA-N 0 0 432.610 6.845 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C(=O)N1CC ZINC000408929202 556521582 /nfs/dbraw/zinc/52/15/82/556521582.db2.gz IGRGWJWNKXXEOU-SGFRRPFJSA-N 0 0 449.403 6.193 40 30 IKEBRN CC/N=C1/S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C(=O)N1CC ZINC000408930039 556523247 /nfs/dbraw/zinc/52/32/47/556523247.db2.gz RHHCXCCNTOJILG-XSGZQOPMSA-N 0 0 439.762 5.675 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C(=O)N1CC ZINC000408930354 556523544 /nfs/dbraw/zinc/52/35/44/556523544.db2.gz VZOCEQCHIDQGRU-SGFRRPFJSA-N 0 0 448.947 5.379 40 30 IKEBRN C/N=C1/S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C(=O)N1C ZINC000408930487 556523602 /nfs/dbraw/zinc/52/36/02/556523602.db2.gz XRMNBCXMLYVHHQ-JHXFIANCSA-N 0 0 431.561 5.205 40 30 IKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccc(Cl)cc1Cl ZINC000408931561 556524548 /nfs/dbraw/zinc/52/45/48/556524548.db2.gz NDTDHMMITWXNOO-CVKSISIWSA-N 0 0 428.363 5.988 40 30 IKEBRN C#CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408934355 556526818 /nfs/dbraw/zinc/52/68/18/556526818.db2.gz AHINBUXXTHOLGT-HGPMORKZSA-N 0 0 438.958 6.929 40 30 IKEBRN Oc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408934467 556527229 /nfs/dbraw/zinc/52/72/29/556527229.db2.gz AXZLGUIZJPHXLA-YTEYGYDXSA-N 0 0 445.360 6.732 40 30 IKEBRN C(=N/N1CN(/N=C\c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1)\c1ccccc1 ZINC000031960680 556528220 /nfs/dbraw/zinc/52/82/20/556528220.db2.gz UCGXOCDSFKLAHV-HQPCTCNJSA-N 0 0 430.555 6.112 40 30 IKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(Br)c(Cl)c1 ZINC000032100494 556528707 /nfs/dbraw/zinc/52/87/07/556528707.db2.gz KQDLHPFVQQJSEJ-CSKARUKUSA-N 0 0 429.539 6.064 40 30 IKEBRN CC(=CC(=O)c1ccc(Br)cc1)Nc1ccc(I)cc1 ZINC000032100458 556528719 /nfs/dbraw/zinc/52/87/19/556528719.db2.gz MPDYIQRNHXIEKV-ZHACJKMWSA-N 0 0 442.094 5.252 40 30 IKEBRN Cc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(C)n1-c1c(F)cccc1Br ZINC000032109733 556530427 /nfs/dbraw/zinc/53/04/27/556530427.db2.gz UQURUUMTWQMPPF-SSDVNMTOSA-N 0 0 431.265 5.350 40 30 IKEBRN C[C@H]1Cc2cc(OC(=O)c3cccc(F)c3)ccc2/C(=N/OC(=O)c2cccc(F)c2)C1 ZINC000032116541 556532454 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MGVBRIPYDRSOKU-PNFWVAELSA-N 0 0 444.962 6.940 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408940326 556537953 /nfs/dbraw/zinc/53/79/53/556537953.db2.gz NUUAYLBDFIVHFW-JCZPZKDPSA-N 0 0 434.539 6.284 40 30 IKEBRN COc1ccc(/C=N\N2CCN(Cc3ccccc3Cl)CC2)cc1OCc1ccccc1 ZINC000013633113 556539912 /nfs/dbraw/zinc/53/99/12/556539912.db2.gz RHUYASIFBKPRFF-VEILYXNESA-N 0 0 449.982 5.079 40 30 IKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408944006 556540792 /nfs/dbraw/zinc/54/07/92/556540792.db2.gz TWXSEAHYFCZLPF-BRGLFVENSA-N 0 0 436.555 6.837 40 30 IKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408943936 556540972 /nfs/dbraw/zinc/54/09/72/556540972.db2.gz SSTSGKJPRNWSDI-NXDGOGJJSA-N 0 0 438.571 7.061 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408944962 556542511 /nfs/dbraw/zinc/54/25/11/556542511.db2.gz VPHKNZNFVYJJBP-RBIIPTDJSA-N 0 0 444.578 7.816 40 30 IKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408945999 556546266 /nfs/dbraw/zinc/54/62/66/556546266.db2.gz XWATYTIRQAQUED-UBAGDLADSA-N 0 0 440.974 7.482 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4F)cc3)S2)cc1 ZINC000408949789 556548187 /nfs/dbraw/zinc/54/81/87/556548187.db2.gz CFLXTVBEQPMURN-HZHRSRAPSA-N 0 0 448.519 5.695 40 30 IKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)SC1=Nc1ccc(F)cc1 ZINC000408960210 556562791 /nfs/dbraw/zinc/56/27/91/556562791.db2.gz JQMIFODAFJVERR-DMEHKQLVSA-N 0 0 434.540 5.306 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000408960199 556562890 /nfs/dbraw/zinc/56/28/90/556562890.db2.gz DLOQYLJHGAQFQZ-PCLIKHOPSA-N 0 0 437.568 6.447 40 30 IKEBRN Cc1ccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)c1 ZINC000408961151 556564364 /nfs/dbraw/zinc/56/43/64/556564364.db2.gz ASRFHFCDPJBBTA-XDHOZWIPSA-N 0 0 442.371 6.293 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)c(C)c3)NC2=O)c1C ZINC000408962500 556565191 /nfs/dbraw/zinc/56/51/91/556565191.db2.gz YPLUKYJLWLJVSF-IWIPYMOSSA-N 0 0 443.616 6.473 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000408961995 556565981 /nfs/dbraw/zinc/56/59/81/556565981.db2.gz WSDLYGWHJQRMFY-UNOMPAQXSA-N 0 0 432.376 5.875 40 30 IKEBRN Cc1c(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c2ccccc2n1Cc1ccccc1 ZINC000408962145 556566251 /nfs/dbraw/zinc/56/62/51/556566251.db2.gz QIAKRHQGZIUBEN-PCLIKHOPSA-N 0 0 437.568 6.198 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccccc4F)c4ccccc34)S2)cc1 ZINC000408962954 556567002 /nfs/dbraw/zinc/56/70/02/556567002.db2.gz WHYQNQMSDPNTRG-ZVHZXABRSA-N 0 0 441.531 6.029 40 30 IKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1OC ZINC000408963403 556568400 /nfs/dbraw/zinc/56/84/00/556568400.db2.gz ZGWCTHCAGRUIPM-HWQJWEFDSA-N 0 0 434.920 5.557 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)S2)cc1 ZINC000408963685 556569369 /nfs/dbraw/zinc/56/93/69/556569369.db2.gz OLFUCTQZWACUEU-UDWIEESQSA-N 0 0 435.461 5.063 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3cc(C)cc(C)c3)NC2=O)c1C ZINC000408964252 556570461 /nfs/dbraw/zinc/57/04/61/556570461.db2.gz CLWUWGNTFHQFIG-IWIPYMOSSA-N 0 0 429.589 6.165 40 30 IKEBRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1ccc(OC(F)F)cc1 ZINC000033957373 556570472 /nfs/dbraw/zinc/57/04/72/556570472.db2.gz VGYMEBWQLDCBIR-BKYLOLQDSA-N 0 0 438.518 6.325 40 30 IKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1cn(Cc2ccc(F)cc2)c2ccccc12 ZINC000408964367 556570834 /nfs/dbraw/zinc/57/08/34/556570834.db2.gz GLHZAVJVAKPNBV-YDZHTSKRSA-N 0 0 445.494 5.859 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(Br)cc1OC ZINC000408967613 556576355 /nfs/dbraw/zinc/57/63/55/556576355.db2.gz WDRLTDJNYYSNAE-VCHYOVAHSA-N 0 0 447.354 5.056 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)c1C ZINC000408968081 556576966 /nfs/dbraw/zinc/57/69/66/556576966.db2.gz UDMWXQBYQXRQTP-ONUIUJJFSA-N 0 0 431.561 5.122 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000408968118 556577050 /nfs/dbraw/zinc/57/70/50/556577050.db2.gz ZNKJXSQAFAPWND-PCLIKHOPSA-N 0 0 437.568 6.447 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c2C)c1 ZINC000408966162 556578880 /nfs/dbraw/zinc/57/88/80/556578880.db2.gz KEVABCNSHPMBJH-ZMOGYAJESA-N 0 0 425.872 5.583 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cccc(Br)c4)o3)S2)cc1 ZINC000408966288 556579251 /nfs/dbraw/zinc/57/92/51/556579251.db2.gz ZHQZTDXQOBBFKM-XDHOZWIPSA-N 0 0 439.334 5.909 40 30 IKEBRN COc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1OC ZINC000408969770 556581000 /nfs/dbraw/zinc/58/10/00/556581000.db2.gz UFEQLCQOYMSVFL-WPWMEQJKSA-N 0 0 448.588 6.427 40 30 IKEBRN CC(C)Oc1cccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c1 ZINC000408970095 556586035 /nfs/dbraw/zinc/58/60/35/556586035.db2.gz AMEGEZOIUQQKQQ-MTDXEUNCSA-N 0 0 446.616 7.197 40 30 IKEBRN COc1cccc(/C=N\c2ccc(N(C)C)cc2)c1OCc1ccc(Cl)cc1Cl ZINC000016186407 556587666 /nfs/dbraw/zinc/58/76/66/556587666.db2.gz WJFSQIFQKBKHBG-WGARJPEWSA-N 0 0 429.347 6.398 40 30 IKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(/N=C/c3ccc(Br)cc3)cc1)N2 ZINC000035167008 556587697 /nfs/dbraw/zinc/58/76/97/556587697.db2.gz AARNPXITCXVHCB-SEUCCCPNSA-N 0 0 443.388 7.335 40 30 IKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCCCC2 ZINC000408970799 556591205 /nfs/dbraw/zinc/59/12/05/556591205.db2.gz KMWLOMFHEYCIPL-PCLIKHOPSA-N 0 0 433.533 6.318 40 30 IKEBRN COc1ccc(/C=C/C(=O)c2c(=O)[nH]c3ccc(Cl)cc3c2-c2ccccc2)c(OC)c1 ZINC000016215411 556591615 /nfs/dbraw/zinc/59/16/15/556591615.db2.gz MNVOHPONTJNCIK-UKTHLTGXSA-N 0 0 445.902 5.762 40 30 IKEBRN COc1ccc(C(=O)C=CNc2ccccc2NC=CC(=O)c2ccc(OC)cc2)cc1 ZINC000016216112 556591955 /nfs/dbraw/zinc/59/19/55/556591955.db2.gz DJMPUYATBAVWMB-YTEMWHBBSA-N 0 0 428.488 5.321 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1Br ZINC000016226585 556592671 /nfs/dbraw/zinc/59/26/71/556592671.db2.gz WBRMKKSXBIIVPR-ZMOGYAJESA-N 0 0 430.729 6.158 40 30 IKEBRN C#CCOc1c(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cccc1OC ZINC000016228205 556593259 /nfs/dbraw/zinc/59/32/59/556593259.db2.gz CXYGEHAMSGVISH-PKAZHMFMSA-N 0 0 444.556 5.650 40 30 IKEBRN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000016268103 556596018 /nfs/dbraw/zinc/59/60/18/556596018.db2.gz MZNURKXQNRSERB-IBGZPJMESA-N 0 0 444.749 7.255 40 30 IKEBRN Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1cccc(Cl)c1 ZINC000016268114 556596030 /nfs/dbraw/zinc/59/60/30/556596030.db2.gz LVMQXJCQUZXOLC-IBGZPJMESA-N 0 0 444.749 7.255 40 30 IKEBRN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)Nc1ccc(Cl)cc1 ZINC000016268105 556596040 /nfs/dbraw/zinc/59/60/40/556596040.db2.gz MZNURKXQNRSERB-LJQANCHMSA-N 0 0 444.749 7.255 40 30 IKEBRN Cc1cc2nc(-c3cccc(/N=C/c4cc(Cc5ccccc5)ccc4O)c3C)oc2c(C)c1 ZINC000016268801 556596053 /nfs/dbraw/zinc/59/60/53/556596053.db2.gz WNLSUXPCQJNUOG-FDAWAROLSA-N 0 0 446.550 7.467 40 30 IKEBRN COc1ccc(C(=O)Nc2cc(Cl)c([C@@H](C#N)c3ccc(Cl)cc3)cc2C)cc1 ZINC000016268138 556596061 /nfs/dbraw/zinc/59/60/61/556596061.db2.gz FCGRFUQLKPEPCJ-FQEVSTJZSA-N 0 0 425.315 6.218 40 30 IKEBRN COc1cc(Br)cc(/C=N/c2cc(-c3nc4ncccc4o3)ccc2C)c1O ZINC000016311756 556599824 /nfs/dbraw/zinc/59/98/24/556599824.db2.gz FYQFMYWIBRGARG-BHGWPJFGSA-N 0 0 438.281 5.426 40 30 IKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2c[nH]c3ccccc23)sc2c1CCCCCC2 ZINC000408972000 556599929 /nfs/dbraw/zinc/59/99/29/556599929.db2.gz NGSIYBSWGYMDAR-OGLMXYFKSA-N 0 0 427.573 6.891 40 30 IKEBRN Cc1ccc(N=CC=C(Nc2ccc(C)c(Cl)c2)c2ccc(Cl)cc2)cc1Cl ZINC000016312807 556600128 /nfs/dbraw/zinc/60/01/28/556600128.db2.gz UOQZPAZZODYLAG-NWVFTJPISA-N 0 0 429.778 8.119 40 30 IKEBRN CC(=O)c1nn(-c2ccc(Cl)cc2Cl)/c(=N/N=C/c2ccc(Cl)cc2)s1 ZINC000016322070 556600592 /nfs/dbraw/zinc/60/05/92/556600592.db2.gz SCLRPNLJFMIZMN-BXTBSTLWSA-N 0 0 425.728 5.031 40 30 IKEBRN O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)cc1)c1ccco1 ZINC000016450182 556609260 /nfs/dbraw/zinc/60/92/60/556609260.db2.gz RHJPQVWMKBNVFP-JVWAILMASA-N 0 0 430.891 6.232 40 30 IKEBRN O=C1N/C(=N/c2ccccc2)S/C1=C/c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000016451070 556609521 /nfs/dbraw/zinc/60/95/21/556609521.db2.gz QOZRVZAIUBCNLW-WOJGMQOQSA-N 0 0 425.853 5.400 40 30 IKEBRN O=C(Nc1cccc(/N=C/c2cc(Cc3ccccc3Cl)ccc2O)c1)c1ccccc1 ZINC000016476835 556610640 /nfs/dbraw/zinc/61/06/40/556610640.db2.gz JIXBFTOXLIHFAW-RDRPBHBLSA-N 0 0 440.930 6.639 40 30 IKEBRN NC(=S)Nc1ccc(/N=C/c2cc(Cc3ccccc3)cc(Br)c2O)cc1 ZINC000016480931 556611631 /nfs/dbraw/zinc/61/16/31/556611631.db2.gz DYDLQBXJWPTKMT-ZMOGYAJESA-N 0 0 440.366 5.152 40 30 IKEBRN O/N=C1\CC/C=C/CC/C=C/CC[C@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000016492203 556612574 /nfs/dbraw/zinc/61/25/74/556612574.db2.gz PNKVELXQIAPQHQ-YCNVSPBCSA-N 0 0 444.600 7.766 40 30 IKEBRN COc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)c(C)c1 ZINC000408974355 556615279 /nfs/dbraw/zinc/61/52/79/556615279.db2.gz YFPADCGDWHIOHZ-WPWMEQJKSA-N 0 0 432.589 6.727 40 30 IKEBRN CCCCCOc1ccc(C(Cc2ccccc2)=NOC(=O)Nc2ccccc2)c(O)c1 ZINC000016638560 556619496 /nfs/dbraw/zinc/61/94/96/556619496.db2.gz DAJJHIFEAMYVOE-ZZIIXHQDSA-N 0 0 432.520 6.157 40 30 IKEBRN CCOCCN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1 ZINC000016687998 556625722 /nfs/dbraw/zinc/62/57/22/556625722.db2.gz HIDRZYNCFXSPRH-YWQSIKCOSA-N 0 0 443.528 5.459 40 30 IKEBRN C/C(=N\N=c1/scc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc(F)cc1 ZINC000016711410 556630128 /nfs/dbraw/zinc/63/01/28/556630128.db2.gz WZHXIERYIHKBIX-RMXOYLDRSA-N 0 0 425.916 5.975 40 30 IKEBRN C/C(=N\N=c1/scc(-c2ccc(Cl)cc2)n1Cc1ccccc1)c1ccc(F)cc1 ZINC000016711531 556630166 /nfs/dbraw/zinc/63/01/66/556630166.db2.gz BCNJCAZXQHJYCQ-YACXLVKKSA-N 0 0 435.955 6.382 40 30 IKEBRN C=CCN(c1ccc(C(=O)NCc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224509260 556630616 /nfs/dbraw/zinc/63/06/16/556630616.db2.gz UKOVKDWKCATTPV-UHFFFAOYSA-N 0 0 448.588 5.121 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408977762 556633237 /nfs/dbraw/zinc/63/32/37/556633237.db2.gz YACHYFJMCWZMSW-ZVHZXABRSA-N 0 0 430.489 5.845 40 30 IKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 ZINC000224564539 556636196 /nfs/dbraw/zinc/63/61/96/556636196.db2.gz UVXLTSIQMYTPDC-UHFFFAOYSA-N 0 0 438.574 5.326 40 30 IKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 ZINC000224564609 556636409 /nfs/dbraw/zinc/63/64/09/556636409.db2.gz KHSUQJNFWAKBBC-UHFFFAOYSA-N 0 0 438.574 5.326 40 30 IKEBRN C=CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000224738243 556643862 /nfs/dbraw/zinc/64/38/62/556643862.db2.gz ZDQPTSDEKGVZCD-UHFFFAOYSA-N 0 0 428.351 5.497 40 30 IKEBRN O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000016958899 556650881 /nfs/dbraw/zinc/65/08/81/556650881.db2.gz JLROVADVPPVTIW-JFMUQQRKSA-N 0 0 445.862 5.619 40 30 IKEBRN Clc1ccccc1C(=N/c1ccccc1)/C(=N\c1ccccc1)c1ccccc1Cl ZINC000016978990 556652083 /nfs/dbraw/zinc/65/20/83/556652083.db2.gz FUDRBLXBROYOOS-IDDWGTJGSA-N 0 0 429.350 7.935 40 30 IKEBRN N#C[C@@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1 ZINC000017014717 556653009 /nfs/dbraw/zinc/65/30/09/556653009.db2.gz SDMPHYZQABZFTH-YTTGMZPUSA-N 0 0 449.597 8.112 40 30 IKEBRN CCCCCC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC000017044819 556654037 /nfs/dbraw/zinc/65/40/37/556654037.db2.gz MWCIXJJFNQCNSU-LVWGJNHUSA-N 0 0 432.480 6.567 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2c3ccccc3n(-c3ccccc3)c2Cl)c([N+](=O)[O-])c1 ZINC000017062492 556654894 /nfs/dbraw/zinc/65/48/94/556654894.db2.gz AWKCSEAUFJEXAL-YDZHTSKRSA-N 0 0 435.827 5.546 40 30 IKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 ZINC000083293068 556662932 /nfs/dbraw/zinc/66/29/32/556662932.db2.gz VHFIVGNPZFQZQO-OYKKKHCWSA-N 0 0 425.872 5.672 40 30 IKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1C ZINC000083295170 556663107 /nfs/dbraw/zinc/66/31/07/556663107.db2.gz GXZJOPPAXYVHSC-JAIQZWGSSA-N 0 0 443.355 6.762 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N/Cc3cc(C)cc(C)c3)NC2=O)c(C)n1-c1ccc(F)cc1 ZINC000083309972 556663461 /nfs/dbraw/zinc/66/34/61/556663461.db2.gz PNLDWLZUIVRJPR-QRVIBDJDSA-N 0 0 433.552 5.610 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000083309954 556663465 /nfs/dbraw/zinc/66/34/65/556663465.db2.gz UOEIEJCLHRAKSE-JAIQZWGSSA-N 0 0 442.371 6.293 40 30 IKEBRN Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)c1 ZINC000083316767 556663813 /nfs/dbraw/zinc/66/38/13/556663813.db2.gz XKSOHNPALMLYTR-MTJSOVHGSA-N 0 0 433.489 5.232 40 30 IKEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc21 ZINC000083318175 556663883 /nfs/dbraw/zinc/66/38/83/556663883.db2.gz KSACQVMGLBDROH-QQXSKIMKSA-N 0 0 427.460 5.782 40 30 IKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1ccc(Cl)cc1Cl ZINC000017106713 556667644 /nfs/dbraw/zinc/66/76/44/556667644.db2.gz OTRHENSUVFJNDC-JXJIOSSYSA-N 0 0 444.233 8.752 40 30 IKEBRN C=CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224945391 556668144 /nfs/dbraw/zinc/66/81/44/556668144.db2.gz WWEAJDDFECVLBA-UHFFFAOYSA-N 0 0 436.744 5.045 40 30 IKEBRN C=CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224961307 556669008 /nfs/dbraw/zinc/66/90/08/556669008.db2.gz SSHXRKDSSUSDHG-UHFFFAOYSA-N 0 0 440.270 5.402 40 30 IKEBRN COc1ccc([C@H]2C/C(=N\c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000017146658 556669968 /nfs/dbraw/zinc/66/99/68/556669968.db2.gz SPBGJDSPDBEMTN-XDMDVORWSA-N 0 0 425.315 6.253 40 30 IKEBRN N=C(Nc1cccc2ccccc21)SCCSC(=N)Nc1cccc2ccccc21 ZINC000017289778 556674531 /nfs/dbraw/zinc/67/45/31/556674531.db2.gz KJGQCICIYQFVRU-UHFFFAOYSA-N 0 0 430.602 6.452 40 30 IKEBRN Clc1ccc(/C=N/N2CCN(/N=C\c3ccc(Cl)cc3Cl)CC2)c(Cl)c1 ZINC000017422495 556677201 /nfs/dbraw/zinc/67/72/01/556677201.db2.gz LDSOWJJTHNMJLW-QEUMEHMPSA-N 0 0 430.166 5.286 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)S2)cc1 ZINC000408759028 556681539 /nfs/dbraw/zinc/68/15/39/556681539.db2.gz WRTRQOFNEMRSSV-HAHDFKILSA-N 0 0 432.520 5.859 40 30 IKEBRN C=CCSc1nnc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 ZINC000225317940 556682134 /nfs/dbraw/zinc/68/21/34/556682134.db2.gz XFSZTKZTQTXZPF-UHFFFAOYSA-N 0 0 434.011 6.014 40 30 IKEBRN C=CCOc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1 ZINC000225365967 556682206 /nfs/dbraw/zinc/68/22/06/556682206.db2.gz VMLPJUYNQBDPRO-UHFFFAOYSA-N 0 0 427.422 5.778 40 30 IKEBRN C=CCOC(=O)c1cc2nc(-c3ccc(Cl)cc3Cl)[nH]c2c(Br)c1 ZINC000226344708 556684890 /nfs/dbraw/zinc/68/48/90/556684890.db2.gz SNWSCWNJGFDEAI-UHFFFAOYSA-N 0 0 426.097 5.642 40 30 IKEBRN COC(=O)[C@H](CP(C)(C)=O)C(/N=C(\C)C(F)(F)F)(c1ccccc1)c1ccccc1 ZINC000018178440 556685922 /nfs/dbraw/zinc/68/59/22/556685922.db2.gz AXKGADSQHBNSTG-JHKMYFMNSA-N 0 0 439.414 5.365 40 30 IKEBRN COc1ccc(OC)c(COc2ccc(/C=C3\Sc4ccccc4C3=O)cc2OC)c1 ZINC000408985961 556687386 /nfs/dbraw/zinc/68/73/86/556687386.db2.gz OGCDGNDFMYNAGZ-CFRMEGHHSA-N 0 0 434.513 5.621 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)S2)cc1 ZINC000408761339 556687863 /nfs/dbraw/zinc/68/78/63/556687863.db2.gz IPGVLKVKOTTYCS-XYGWBWBKSA-N 0 0 443.616 6.672 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1 ZINC000408761771 556688083 /nfs/dbraw/zinc/68/80/83/556688083.db2.gz BKHBSRRSTKEILB-PDGQHHTCSA-N 0 0 443.366 5.522 40 30 IKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000170414907 556692577 /nfs/dbraw/zinc/69/25/77/556692577.db2.gz FHJJNUQUONLMAD-HSZRJFAPSA-N 0 0 435.564 5.378 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 ZINC000408989389 556695112 /nfs/dbraw/zinc/69/51/12/556695112.db2.gz HQILFORKDITYBA-AQTBWJFISA-N 0 0 434.502 5.033 40 30 IKEBRN N#Cc1ccc(-c2ccc(Cl)cc2Cl)nc1Sc1ccc([N+](=O)[O-])cc1C=O ZINC000013573834 556697921 /nfs/dbraw/zinc/69/79/21/556697921.db2.gz YCVZQCKVMHPEFH-UHFFFAOYSA-N 0 0 430.272 5.799 40 30 IKEBRN O=C1c2ccccc2S/C1=C/c1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000408991122 556707226 /nfs/dbraw/zinc/70/72/26/556707226.db2.gz MVPNGRUVXUAMLF-NDENLUEZSA-N 0 0 448.550 6.685 40 30 IKEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2cc(C)n(-c3ccc(C)cc3)c2C)C1=O ZINC000409000123 556710392 /nfs/dbraw/zinc/71/03/92/556710392.db2.gz XDGRUSMBCOSRPQ-XYGWBWBKSA-N 0 0 440.543 5.588 40 30 IKEBRN Cc1cc(C=NNc2ccc3ccccc3n2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000409003124 556712817 /nfs/dbraw/zinc/71/28/17/556712817.db2.gz YEVCVYZFBULHDZ-DICXZTSXSA-N 0 0 425.561 5.900 40 30 IKEBRN N#Cc1ccccc1COc1ccccc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O ZINC000409008373 556714208 /nfs/dbraw/zinc/71/42/08/556714208.db2.gz XNERIPDKVJPOLC-JLPGSUDCSA-N 0 0 440.524 5.416 40 30 IKEBRN Cc1ccc(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)cc1C ZINC000409011182 556715196 /nfs/dbraw/zinc/71/51/96/556715196.db2.gz FBYKPACWOFSBQP-FYTLUAJBSA-N 0 0 442.628 7.692 40 30 IKEBRN CCCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)SC1=Nc1ccccc1 ZINC000409014858 556717043 /nfs/dbraw/zinc/71/70/43/556717043.db2.gz QBMSCUNOWNHKBT-DMEHKQLVSA-N 0 0 435.980 6.453 40 30 IKEBRN Cc1ccc(C)c(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)c1 ZINC000409014560 556717115 /nfs/dbraw/zinc/71/71/15/556717115.db2.gz MZCRLRJVUIWGPK-FYTLUAJBSA-N 0 0 442.628 7.692 40 30 IKEBRN O=C(/C=C/C=C/c1ccccc1)C(C(=O)/C=C/C=C/c1ccccc1)=C1SCCS1 ZINC000100435946 556720146 /nfs/dbraw/zinc/72/01/46/556720146.db2.gz OVOLHPLRXFFCOQ-FVRNMFRHSA-N 0 0 430.594 6.355 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccccc3)N(CCOC)C2=O)cc1Cl ZINC000409019638 556721956 /nfs/dbraw/zinc/72/19/56/556721956.db2.gz KAXNFZNKUDNRSL-RZODSBTMSA-N 0 0 444.984 5.768 40 30 IKEBRN COc1cc(Br)cc(/C=N/c2ccc3oc(-c4ccc(C)cc4)nc3c2)c1O ZINC000000864789 556723615 /nfs/dbraw/zinc/72/36/15/556723615.db2.gz RTHBMMJZORYXOE-WYMPLXKRSA-N 0 0 437.293 6.031 40 30 IKEBRN CC(C)N1C(=O)S/C(=C/c2c(OCc3ccccc3C#N)ccc3ccccc32)C1=O ZINC000409023871 556725161 /nfs/dbraw/zinc/72/51/61/556725161.db2.gz LKXCIYLWWCRHPO-YDZHTSKRSA-N 0 0 428.513 5.735 40 30 IKEBRN Cc1cccc(COc2ccc(/C=N/c3cc(-c4ccccc4)nn3-c3ccccc3)cc2)c1 ZINC000409027112 556726664 /nfs/dbraw/zinc/72/66/64/556726664.db2.gz 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Cc1ccc(S(=O)(=O)N(Cc2ccc(/C=N/c3ccccc3)o2)Cc2ccccc2)cc1 ZINC000408835384 556866973 /nfs/dbraw/zinc/86/69/73/556866973.db2.gz WUCSQZAORKNXJC-OVVQPSECSA-N 0 0 444.556 5.730 40 30 IKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C(C)C)c(OC)cc1C ZINC000408839864 556867243 /nfs/dbraw/zinc/86/72/43/556867243.db2.gz AZKQYGYQJXESTE-HSZRJFAPSA-N 0 0 431.532 5.259 40 30 IKEBRN COC(=O)c1ccc(/N=C/c2c(C)n(-c3ccccc3)c(C)c2Br)cc1Cl ZINC000408846162 556868959 /nfs/dbraw/zinc/86/89/59/556868959.db2.gz IQNRHPQOZTXPCD-WYMPLXKRSA-N 0 0 445.744 6.047 40 30 IKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)cc(Cl)c1OC ZINC000408847324 556869194 /nfs/dbraw/zinc/86/91/94/556869194.db2.gz UZGZZQFPGWFVOD-SFHVURJKSA-N 0 0 444.314 5.134 40 30 IKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1ccc(Br)o1)CCCC2 ZINC000408848311 556869486 /nfs/dbraw/zinc/86/94/86/556869486.db2.gz TWJAHMHVXXYYJA-UUYOSTAYSA-N 0 0 429.339 5.985 40 30 IKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2ccc(Cl)cc2Cl)sc2c1CCCC2 ZINC000408852364 556869828 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CCOc1cc(C=NN2C(=S)N=NC2C)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408855128 556871840 /nfs/dbraw/zinc/87/18/40/556871840.db2.gz CHSHGYMUEWNPEK-LSHDLFTRSA-N 0 0 437.352 5.042 40 30 IKEBRN CCOc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OC ZINC000408855502 556871904 /nfs/dbraw/zinc/87/19/04/556871904.db2.gz FVYHJEVDMRMKIM-QQXSKIMKSA-N 0 0 434.561 6.037 40 30 IKEBRN O=C1/C(=C/c2ccc(Br)o2)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408856074 556872012 /nfs/dbraw/zinc/87/20/12/556872012.db2.gz ASUNSSRCROKIBV-NSMLSGJHSA-N 0 0 449.345 6.118 40 30 IKEBRN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408859368 556872193 /nfs/dbraw/zinc/87/21/93/556872193.db2.gz STYRAWDOTIZYCS-QKPARVBZSA-N 0 0 434.561 5.656 40 30 IKEBRN CCCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408856218 556872258 /nfs/dbraw/zinc/87/22/58/556872258.db2.gz BLQZIHGQWUIYFT-PKIMKDRHSA-N 0 0 434.605 6.658 40 30 IKEBRN CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408860432 556872504 /nfs/dbraw/zinc/87/25/04/556872504.db2.gz VLWOGLIFUUPFJF-LQVWYFLWSA-N 0 0 448.632 6.904 40 30 IKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2c3ccccc3cc3ccccc32)S1 ZINC000408860607 556872512 /nfs/dbraw/zinc/87/25/12/556872512.db2.gz ZYZOHHRGUNKLFL-UCQKPKSFSA-N 0 0 444.943 6.547 40 30 IKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3cccnc3)c2C)S1 ZINC000408860685 556872517 /nfs/dbraw/zinc/87/25/17/556872517.db2.gz BSCVXCYLOSWHPM-JMIUGGIZSA-N 0 0 438.940 5.043 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)S/C1=N\c1ccccc1 ZINC000408862691 556872703 /nfs/dbraw/zinc/87/27/03/556872703.db2.gz IMEJBWSBZWMHJA-FYNFDFMYSA-N 0 0 431.561 5.772 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(Cl)ccc2OC)NC1=O ZINC000408864580 556872953 /nfs/dbraw/zinc/87/29/53/556872953.db2.gz XYLBLKCUXIGWGB-HMAPJEAMSA-N 0 0 448.931 5.405 40 30 IKEBRN C#CCOc1c(Cl)cc(C[C@@H]2SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409145872 556874409 /nfs/dbraw/zinc/87/44/09/556874409.db2.gz SFGHYBQMULGHBH-INIZCTEOSA-N 0 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CCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)S/C1=N\c1ccccc1 ZINC000408912376 556886303 /nfs/dbraw/zinc/88/63/03/556886303.db2.gz NIJFSRQLYANWNK-LBMUFILHSA-N 0 0 447.516 6.177 40 30 IKEBRN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1cccc(C)c1C ZINC000408912489 556886319 /nfs/dbraw/zinc/88/63/19/556886319.db2.gz GXXDEDBCDWKHPL-BIZUNTBRSA-N 0 0 436.643 7.929 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(N(C)C)c(Br)c3)C(=O)N2C)cc1 ZINC000408912364 556886379 /nfs/dbraw/zinc/88/63/79/556886379.db2.gz PZAJBXZQKXEWRF-FTIPTLOASA-N 0 0 430.371 5.057 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2Cc2ccccc2)cc1 ZINC000408912123 556886396 /nfs/dbraw/zinc/88/63/96/556886396.db2.gz LWTTULTVNXEDRL-LBMUFILHSA-N 0 0 429.501 5.707 40 30 IKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000408912788 556886593 /nfs/dbraw/zinc/88/65/93/556886593.db2.gz RZQHDCHRNUIQHV-ROTLSHHCSA-N 0 0 440.887 5.375 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3c(C)cccc3C)N(CC)C2=O)c2ccccc12 ZINC000408913208 556886638 /nfs/dbraw/zinc/88/66/38/556886638.db2.gz SBRVZDSBZNGBJM-BVGVAWRYSA-N 0 0 430.573 6.479 40 30 IKEBRN COc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N([C@H](C)c2ccccc2)C1=O ZINC000408912863 556886649 /nfs/dbraw/zinc/88/66/49/556886649.db2.gz RSHQUKBWATXOIX-VYDMJTNZSA-N 0 0 448.975 6.714 40 30 IKEBRN COc1cc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)cc1Br ZINC000408908276 556886845 /nfs/dbraw/zinc/88/68/45/556886845.db2.gz RANLQJKRJZQESD-HFYOLELGSA-N 0 0 447.354 5.009 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1OC ZINC000408912997 556887287 /nfs/dbraw/zinc/88/72/87/556887287.db2.gz OXTXSJCNALOFSE-YCJCGMCGSA-N 0 0 444.556 5.816 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1ccc(C)cc1 ZINC000408909540 556887298 /nfs/dbraw/zinc/88/72/98/556887298.db2.gz DMFZYPCIHHILEH-AJGXWLHTSA-N 0 0 442.584 6.588 40 30 IKEBRN C=CCOc1c(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cccc1OC ZINC000408909737 556887556 /nfs/dbraw/zinc/88/75/56/556887556.db2.gz DUHHASPSKKPMAJ-RUEJZYPDSA-N 0 0 442.540 6.069 40 30 IKEBRN CCOc1c(Br)cc(C=C2C(=O)c3ccccc3C2=O)cc1Br ZINC000408910412 556887773 /nfs/dbraw/zinc/88/77/73/556887773.db2.gz KDDLMBPJYJACEG-UHFFFAOYSA-N 0 0 436.099 5.073 40 30 IKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408910947 556887947 /nfs/dbraw/zinc/88/79/47/556887947.db2.gz IDIXHGJWNYHPJY-XNGCSZICSA-N 0 0 429.383 6.160 40 30 IKEBRN O=C1/C(=C\c2ccc3c(c2)OCO3)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408910854 556887980 /nfs/dbraw/zinc/88/79/80/556887980.db2.gz LUMFEHSHQPEYCM-OQNHBUHUSA-N 0 0 428.513 5.262 40 30 IKEBRN CC[C@H](C)N1C(=O)/C(=C\c2cccc(Br)c2)S/C1=N\c1ccc(C)cc1 ZINC000408910946 556888021 /nfs/dbraw/zinc/88/80/21/556888021.db2.gz IDIXHGJWNYHPJY-CXPRPJQYSA-N 0 0 429.383 6.160 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O ZINC000408917674 556889000 /nfs/dbraw/zinc/88/90/00/556889000.db2.gz ZRKCZTDOROISLU-WOJGMQOQSA-N 0 0 432.328 5.550 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408913223 556889152 /nfs/dbraw/zinc/88/91/52/556889152.db2.gz SEWWKLZYFRJVPI-NFEGURHZSA-N 0 0 433.489 5.787 40 30 IKEBRN Cc1ccc(Sc2oc(/C=N\c3ccc(Cl)c(Cl)c3)cc2Br)cc1 ZINC000408914006 556889321 /nfs/dbraw/zinc/88/93/21/556889321.db2.gz WYUIBUIBEKAAHN-YVNNLAQVSA-N 0 0 441.177 7.559 40 30 IKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)c2ccccc12 ZINC000408914428 556889584 /nfs/dbraw/zinc/88/95/84/556889584.db2.gz UUZIWMBZVLWWRH-AJGXWLHTSA-N 0 0 444.600 6.815 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408914098 556889597 /nfs/dbraw/zinc/88/95/97/556889597.db2.gz SRZSJDLZAVLWJE-LBMUFILHSA-N 0 0 447.516 6.177 40 30 IKEBRN CCCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cccc1OC ZINC000408914257 556889620 /nfs/dbraw/zinc/88/96/20/556889620.db2.gz UEDPCAPCPWWIFC-JUMVDPBBSA-N 0 0 438.593 6.052 40 30 IKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\c4ccc(C)cc4)N(C)C3=O)o2)cc1 ZINC000408914791 556889745 /nfs/dbraw/zinc/88/97/45/556889745.db2.gz WFEXKQYTHQJKJA-JUMVDPBBSA-N 0 0 446.528 5.666 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCC(C)C)c(OC)c2)C(=O)N1CC ZINC000408914475 556889816 /nfs/dbraw/zinc/88/98/16/556889816.db2.gz UXCNOJLUXRWTMT-HUOZHCEOSA-N 0 0 438.593 5.916 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCc3ccccc3)C2=O)c(C)c1 ZINC000408915411 556890275 /nfs/dbraw/zinc/89/02/75/556890275.db2.gz YCFDQGFBIJXBAT-AJGXWLHTSA-N 0 0 442.584 6.159 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1C1CCCCC1 ZINC000408915697 556890338 /nfs/dbraw/zinc/89/03/38/556890338.db2.gz ZLYQFMKNCUJMPN-FTJNEJEMSA-N 0 0 435.549 6.094 40 30 IKEBRN COc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CCc2ccccc2)C1=O ZINC000408915397 556890381 /nfs/dbraw/zinc/89/03/81/556890381.db2.gz XZAXDGXHBXMXDX-KWPJTZOTSA-N 0 0 428.557 5.850 40 30 IKEBRN C=CCOc1c(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cccc1OC ZINC000408915778 556890486 /nfs/dbraw/zinc/89/04/86/556890486.db2.gz ZZJNKPBXWIAKEH-JUMVDPBBSA-N 0 0 436.577 5.828 40 30 IKEBRN CC(C)(C)[C@@]1(O)C=C(C(F)(F)C(F)(F)C(F)(F)F)NN1C(=O)c1ccccc1Cl ZINC000408919732 556890494 /nfs/dbraw/zinc/89/04/94/556890494.db2.gz BTYPDISSVFSOGC-AWEZNQCLSA-N 0 0 448.766 5.110 40 30 IKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1OCC#N ZINC000408916776 556890569 /nfs/dbraw/zinc/89/05/69/556890569.db2.gz ZCGUZRHRIMGLIW-YUMHPJSZSA-N 0 0 445.544 5.541 40 30 IKEBRN COc1cc(C2C3=C(CCCC3=O)N(CCc3ccccc3)C3=C2C(=O)CCC3)ccc1O ZINC000408920533 556890687 /nfs/dbraw/zinc/89/06/87/556890687.db2.gz JUTREFPJEGEGMS-UHFFFAOYSA-N 0 0 443.543 5.057 40 30 IKEBRN CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OCC)c(OC)c2)C2=C1CCCC2=O ZINC000408919546 556891705 /nfs/dbraw/zinc/89/17/05/556891705.db2.gz AVOBQINYBZRDGW-UHFFFAOYSA-N 0 0 443.971 5.571 40 30 IKEBRN C=CCOc1ccc(C2C3=C(CCCC3=O)N(CCC)C3=C2C(=O)CCC3)cc1OCC ZINC000408923308 556892399 /nfs/dbraw/zinc/89/23/99/556892399.db2.gz PGZVEHWLGSAPJW-UHFFFAOYSA-N 0 0 435.564 5.474 40 30 IKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1Cl ZINC000408931508 556892613 /nfs/dbraw/zinc/89/26/13/556892613.db2.gz MNWTYHQYNOJHAH-JVWAILMASA-N 0 0 441.358 6.160 40 30 IKEBRN CC[C@H](C)Oc1c(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000408931787 556892944 /nfs/dbraw/zinc/89/29/44/556892944.db2.gz QGXQZKZSBPZNNC-WTJYETQFSA-N 0 0 447.373 5.222 40 30 IKEBRN O=C(NCc1ccccc1)c1c(/N=C\c2cccc(Cl)c2Cl)sc2c1CCCC2 ZINC000408928266 556893114 /nfs/dbraw/zinc/89/31/14/556893114.db2.gz YWVZTLZIHFHSNB-VYYCAZPPSA-N 0 0 443.399 6.614 40 30 IKEBRN CCOc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(Cl)c1OC ZINC000408928152 556893224 /nfs/dbraw/zinc/89/32/24/556893224.db2.gz ZZFMIMYCRPAALH-UHFFFAOYSA-N 0 0 429.944 5.181 40 30 IKEBRN CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(O)c(OCC)c2)C2=C1CCCC2=O ZINC000408927912 556893239 /nfs/dbraw/zinc/89/32/39/556893239.db2.gz YGTPTCGVIOVZAS-UHFFFAOYSA-N 0 0 429.944 5.268 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C(=O)N1CC ZINC000408928723 556893369 /nfs/dbraw/zinc/89/33/69/556893369.db2.gz DXXWXXBQBNHZAC-SGFRRPFJSA-N 0 0 449.403 6.193 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C(=O)N1CC ZINC000408928407 556893416 /nfs/dbraw/zinc/89/34/16/556893416.db2.gz AXBXKPOCCRYRLO-OYPKHVMMSA-N 0 0 444.984 5.548 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccccc2Cl)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408929447 556893807 /nfs/dbraw/zinc/89/38/07/556893807.db2.gz ZOSWABAIVVJATR-REHDBGDWSA-N 0 0 425.985 5.954 40 30 IKEBRN Clc1cc(-c2ccc(/C=N/c3ccc(N4CCOCC4)cc3)o2)ccc1Br ZINC000408931014 556894476 /nfs/dbraw/zinc/89/44/76/556894476.db2.gz GBKQPZLOYJUVTK-ZVHZXABRSA-N 0 0 445.744 5.950 40 30 IKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1F ZINC000408931100 556894782 /nfs/dbraw/zinc/89/47/82/556894782.db2.gz HDZFQJWZXUIEPK-MUXKCCDJSA-N 0 0 432.417 6.268 40 30 IKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408934349 556895231 /nfs/dbraw/zinc/89/52/31/556895231.db2.gz AGKOMRFSYHGEMD-RCUHJWHVSA-N 0 0 440.974 7.482 40 30 IKEBRN COCCCN1C(=O)/C(=C/c2ccc(OC(C)C)c(Cl)c2)S/C1=N\c1ccccc1 ZINC000408933990 556895328 /nfs/dbraw/zinc/89/53/28/556895328.db2.gz KQKIOSCFVJIGTF-YVADOFBFSA-N 0 0 444.984 5.768 40 30 IKEBRN C=CCc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(OC)c1OCc1ccccc1 ZINC000408932130 556895997 /nfs/dbraw/zinc/89/59/97/556895997.db2.gz ULHHRPIZIQXGER-ZTKZIYFRSA-N 0 0 442.559 5.590 40 30 IKEBRN C(=N/c1ccc(N2CCOCC2)cc1)\c1cn(Cc2ccc3ccccc3c2)c2ccccc12 ZINC000408932315 556896178 /nfs/dbraw/zinc/89/61/78/556896178.db2.gz VMEZDIGBIFCWNQ-AJBULDERSA-N 0 0 445.566 6.430 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(OC)c1OC ZINC000408938789 556896504 /nfs/dbraw/zinc/89/65/04/556896504.db2.gz RPHGNXZYNHJXIC-DWZGDGSMSA-N 0 0 440.543 6.290 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408938614 556897066 /nfs/dbraw/zinc/89/70/66/556897066.db2.gz LEVWEVSHASTCOE-DVHQXOFNSA-N 0 0 442.990 7.624 40 30 IKEBRN COc1ccc2ccccc2c1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408938094 556897130 /nfs/dbraw/zinc/89/71/30/556897130.db2.gz KJJBANPKBSNGBJ-SWDXYKBFSA-N 0 0 430.551 7.426 40 30 IKEBRN CC1=NOC(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000408943997 556897366 /nfs/dbraw/zinc/89/73/66/556897366.db2.gz TWFGDWWIDVNEJI-MKMNVTDBSA-N 0 0 441.108 5.651 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc(Cl)c1OC ZINC000408944766 556897380 /nfs/dbraw/zinc/89/73/80/556897380.db2.gz VASXXQAHMWZQSS-JDVLXGQCSA-N 0 0 444.962 6.934 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc(Cl)c1OC ZINC000408944768 556897395 /nfs/dbraw/zinc/89/73/95/556897395.db2.gz VASXXQAHMWZQSS-QFCIWXFXSA-N 0 0 444.962 6.934 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408943438 556897667 /nfs/dbraw/zinc/89/76/67/556897667.db2.gz SEZAGBIDIJUIIV-PNLYLYDTSA-N 0 0 448.566 6.593 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cccc(OCc4ccc(F)cc4)c3)S2)cc1 ZINC000408951231 556897995 /nfs/dbraw/zinc/89/79/95/556897995.db2.gz IJRIOCYYAHJPES-HZHRSRAPSA-N 0 0 448.519 5.695 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408953424 556898307 /nfs/dbraw/zinc/89/83/07/556898307.db2.gz PMOUIZCUVYSXJO-FYJGNVAPSA-N 0 0 449.488 5.454 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCC)c(Br)c3)S2)cc1 ZINC000408952970 556898670 /nfs/dbraw/zinc/89/86/70/556898670.db2.gz NODPWWDIOHLKNX-LDADJPATSA-N 0 0 447.354 5.138 40 30 IKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccc(N(C)C)cc1 ZINC000408953022 556898734 /nfs/dbraw/zinc/89/87/34/556898734.db2.gz NYIOZXNDSZHHPD-CMEWOCMCSA-N 0 0 446.576 5.176 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCC)c(OCC)c3)S2)cc1 ZINC000408952741 556898742 /nfs/dbraw/zinc/89/87/42/556898742.db2.gz MIXUMHLFNZOZTB-CPNJWEJPSA-N 0 0 446.956 5.428 40 30 IKEBRN Cc1cc(I)ccc1/N=C\c1cccn1-c1ccc(N(C)C)cc1 ZINC000408954298 556899008 /nfs/dbraw/zinc/89/90/08/556899008.db2.gz SIZZWCRXGOPJLX-HMAPJEAMSA-N 0 0 429.305 5.207 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(F)cc3)S2)cc1 ZINC000408955081 556899112 /nfs/dbraw/zinc/89/91/12/556899112.db2.gz VXOMSDNISCVLSW-HZHRSRAPSA-N 0 0 448.519 5.695 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(Br)c(Br)o3)S2)cc1 ZINC000408955424 556899313 /nfs/dbraw/zinc/89/93/13/556899313.db2.gz XDYOSLQECIGSIA-GHXNOFRVSA-N 0 0 442.132 5.005 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCC3)cc2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000408959757 556899674 /nfs/dbraw/zinc/89/96/74/556899674.db2.gz FHWPYQHCDSHSAW-SIDNSYPESA-N 0 0 425.557 6.095 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccc(N(C)C)cc1 ZINC000408959651 556899677 /nfs/dbraw/zinc/89/96/77/556899677.db2.gz COWUAGAKCBZMDY-CMEWOCMCSA-N 0 0 434.609 5.285 40 30 IKEBRN CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(Br)cc1 ZINC000408959816 556899739 /nfs/dbraw/zinc/89/97/39/556899739.db2.gz GGQONSBHIGLKMR-VXMHBOQLSA-N 0 0 442.382 5.283 40 30 IKEBRN COC(=O)c1cccc(-c2ccc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)o2)c1C ZINC000408960323 556900233 /nfs/dbraw/zinc/90/02/33/556900233.db2.gz DVVYESZGYPAYKU-FYJGNVAPSA-N 0 0 432.501 5.242 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccc(Cl)cc1 ZINC000408960476 556900447 /nfs/dbraw/zinc/90/04/47/556900447.db2.gz LZJBUWNREAJJNS-XOLKAKTPSA-N 0 0 425.985 5.873 40 30 IKEBRN CCOc1cc(Cl)c(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OCC ZINC000408966189 556900702 /nfs/dbraw/zinc/90/07/02/556900702.db2.gz NLYWOUOINTYOBI-YBFXNURJSA-N 0 0 432.929 5.038 40 30 IKEBRN Cc1ccc(Cn2cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c3ccccc32)cc1 ZINC000408960995 556900773 /nfs/dbraw/zinc/90/07/73/556900773.db2.gz KVKMAELFTZNZGR-MFKUBSTISA-N 0 0 437.568 6.198 40 30 IKEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)o1 ZINC000408961466 556900909 /nfs/dbraw/zinc/90/09/09/556900909.db2.gz CKTUJQHUHAFXON-UDWIEESQSA-N 0 0 435.461 5.063 40 30 IKEBRN C#CCOc1c(CC=C)cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408961856 556901106 /nfs/dbraw/zinc/90/11/06/556901106.db2.gz ORIQHZQEAHPNOC-CJLVFECKSA-N 0 0 432.545 5.026 40 30 IKEBRN O=C1NC(=Nc2ccc(Br)cc2)S/C1=C\c1ccc(N2CCCCC2)cc1 ZINC000408962545 556901518 /nfs/dbraw/zinc/90/15/18/556901518.db2.gz YZVGMVCQLSZDQJ-RGEXLXHISA-N 0 0 442.382 5.331 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC ZINC000408966614 556902025 /nfs/dbraw/zinc/90/20/25/556902025.db2.gz PNAKARZBXQUJII-KZKLBEMASA-N 0 0 446.956 5.426 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1c(C)cc(C)cc1C ZINC000408964850 556902347 /nfs/dbraw/zinc/90/23/47/556902347.db2.gz HVXLBDRDKAALIK-LPYMAVHISA-N 0 0 433.552 6.050 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408965918 556902541 /nfs/dbraw/zinc/90/25/41/556902541.db2.gz XOKVVSHGQDDXFO-HYARGMPZSA-N 0 0 434.540 5.191 40 30 IKEBRN C=CCOc1ccc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)cc1Br ZINC000408967401 556903192 /nfs/dbraw/zinc/90/31/92/556903192.db2.gz VOHZIZDFFNPEIL-LDADJPATSA-N 0 0 429.339 5.214 40 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ZINC000408974308 556905199 /nfs/dbraw/zinc/90/51/99/556905199.db2.gz DYMNLNXEGJNYLG-RWPZCVJISA-N 0 0 441.874 7.106 40 30 IKEBRN CCc1ccc(C(C)N=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 ZINC000408974872 556905414 /nfs/dbraw/zinc/90/54/14/556905414.db2.gz HTQACUZKOKPYOI-ZTKZIYFRSA-N 0 0 425.601 7.492 40 30 IKEBRN Brc1cccc(/C=N/c2nc(-c3ccc(C4CCCCC4)cc3)cs2)c1 ZINC000408979229 556908673 /nfs/dbraw/zinc/90/86/73/556908673.db2.gz QFZIXZBAFHADIO-ZVHZXABRSA-N 0 0 425.395 7.371 40 30 IKEBRN C=CCN(CC=C)C(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 ZINC000408979799 556908708 /nfs/dbraw/zinc/90/87/08/556908708.db2.gz OOEJZHKYTNZOKM-UHFFFAOYSA-N 0 0 432.574 6.293 40 30 IKEBRN CCOc1ccc2nc(Sc3ccc(C=C4C(=O)c5ccccc5C4=O)o3)sc2c1 ZINC000408987135 556909862 /nfs/dbraw/zinc/90/98/62/556909862.db2.gz ALWWFGWZYUWYDZ-UHFFFAOYSA-N 0 0 433.510 5.902 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c(C)c1 ZINC000408987864 556910255 /nfs/dbraw/zinc/91/02/55/556910255.db2.gz ZIOFAFRMRDJPJR-STZFKDTASA-N 0 0 436.621 6.496 40 30 IKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3nc4ccccc4s3)o2)S1 ZINC000408988655 556911851 /nfs/dbraw/zinc/91/18/51/556911851.db2.gz FJLITEFMUQDBPB-PDGQHHTCSA-N 0 0 449.582 6.241 40 30 IKEBRN O=C1/C(=C/c2ccc(Sc3ccccn3)o2)S/C(=N\c2ccccc2)N1C1CCCC1 ZINC000408993538 556912652 /nfs/dbraw/zinc/91/26/52/556912652.db2.gz WACBCUGNOGIGQI-XQXXPLCESA-N 0 0 447.585 6.372 40 30 IKEBRN O=C1c2ccccc2S/C1=C/c1ccc(Sc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000408992960 556912712 /nfs/dbraw/zinc/91/27/12/556912712.db2.gz UGYGEPYDTJHFDW-HMAPJEAMSA-N 0 0 442.521 6.624 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(Cl)ccc2OCC)C1=O ZINC000408999446 556913632 /nfs/dbraw/zinc/91/36/32/556913632.db2.gz CWIXABRBZODVJJ-AQTBWJFISA-N 0 0 429.925 5.282 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCC)c(OCC)c2)C1=O ZINC000409002372 556914748 /nfs/dbraw/zinc/91/47/48/556914748.db2.gz NLNNENIYSYYGPK-HKWRFOASSA-N 0 0 439.533 5.028 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Cl ZINC000409007320 556916439 /nfs/dbraw/zinc/91/64/39/556916439.db2.gz PHQXWGQQQGRFCZ-AQTBWJFISA-N 0 0 432.328 5.284 40 30 IKEBRN CCCCOc1ccc2ccccc2c1/C=C1/SC(=Nc2ccc(C)cc2C)NC1=O ZINC000409007296 556916503 /nfs/dbraw/zinc/91/65/03/556916503.db2.gz NPPFGTWMJTWSER-LFVJCYFKSA-N 0 0 430.573 6.527 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3cccc(Br)c3)S2)cc1 ZINC000409009302 556917460 /nfs/dbraw/zinc/91/74/60/556917460.db2.gz DAMHFZHYKNAACZ-UYRXBGFRSA-N 0 0 438.350 5.440 40 30 IKEBRN Cc1cc(C)cc(NC(=O)c2c(/N=C/C=C/c3ccccc3)sc3c2CCCCCC3)c1 ZINC000409010676 556917935 /nfs/dbraw/zinc/91/79/35/556917935.db2.gz DFGSOLMYENPACG-WPRBOHTRSA-N 0 0 442.628 7.692 40 30 IKEBRN COC(=O)c1ccc(N=C2S/C(=C\c3ccc(-c4cccc(F)c4)o3)C(=O)N2C)cc1 ZINC000409016151 556921166 /nfs/dbraw/zinc/92/11/66/556921166.db2.gz SNSRDPHVFWVGKE-QUXILYDTSA-N 0 0 436.464 5.106 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl ZINC000409020895 556922005 /nfs/dbraw/zinc/92/20/05/556922005.db2.gz VJBNHHMWHNBWPL-FYHAJLKWSA-N 0 0 440.952 7.327 40 30 IKEBRN Brc1cccc(-n2cccc2/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c1 ZINC000409021147 556922044 /nfs/dbraw/zinc/92/20/44/556922044.db2.gz YIAWNORWTMDRAY-WPWMEQJKSA-N 0 0 441.328 7.404 40 30 IKEBRN Cc1cc2c(cc1/C=N/c1sc3c(c1C(=O)Nc1ccccc1)CCCCCC3)OCO2 ZINC000409019296 556923768 /nfs/dbraw/zinc/92/37/68/556923768.db2.gz WIESSZZGQOKWTO-JFLMPSFJSA-N 0 0 446.572 6.447 40 30 IKEBRN C=CCn1c(C)c(/C=C2/C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc21 ZINC000409029859 556926982 /nfs/dbraw/zinc/92/69/82/556926982.db2.gz CQWBWCWSUXOJRC-GXDHUFHOSA-N 0 0 445.391 5.637 40 30 IKEBRN Cc1c(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc2n1Cc1ccccc1F ZINC000409031360 556927202 /nfs/dbraw/zinc/92/72/02/556927202.db2.gz AUFAJWFOEZDULK-VYVUJPJFSA-N 0 0 449.345 5.851 40 30 IKEBRN CCOC(=O)c1cc(-c2ccc(C=NN=c3[nH]c4ccccc4s3)o2)ccc1Cl ZINC000409037883 556927558 /nfs/dbraw/zinc/92/75/58/556927558.db2.gz OBDRDZYWADDSKB-FSJBWODESA-N 0 0 425.897 5.832 40 30 IKEBRN O=[N+]([O-])c1cc(Cl)ccc1-c1ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o1 ZINC000409039005 556927940 /nfs/dbraw/zinc/92/79/40/556927940.db2.gz GDLKEEAHDGOTEF-TXNBCWFRSA-N 0 0 433.667 5.222 40 30 IKEBRN Fc1ccc(Cn2cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)cc1 ZINC000409034396 556928163 /nfs/dbraw/zinc/92/81/63/556928163.db2.gz HMHUNVLALFMVRX-BMWVXGTQSA-N 0 0 435.318 5.543 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(OCc2ccc(Cl)cc2)c1 ZINC000409040166 556929017 /nfs/dbraw/zinc/92/90/17/556929017.db2.gz HKZYDTJZOIVZDP-JQAMDZJQSA-N 0 0 428.735 5.633 40 30 IKEBRN COC(=O)c1ccc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)cc1Cl ZINC000409040181 556929058 /nfs/dbraw/zinc/92/90/58/556929058.db2.gz XWTIGBFEWFQTDZ-ONAMSPKSSA-N 0 0 446.706 5.101 40 30 IKEBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409044969 556930321 /nfs/dbraw/zinc/93/03/21/556930321.db2.gz DZDWRTSZVAFSLZ-FOKLQQMPSA-N 0 0 446.246 6.139 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000409045838 556930603 /nfs/dbraw/zinc/93/06/03/556930603.db2.gz IUPOIYWRXJVREE-WMDMUMDLSA-N 0 0 428.735 5.633 40 30 IKEBRN COc1c(Cl)cc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)NC2=C1C(=O)CC(C)(C)C2 ZINC000409048632 556932049 /nfs/dbraw/zinc/93/20/49/556932049.db2.gz TXTBUYCPYANMEP-UHFFFAOYSA-N 0 0 448.390 5.975 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)ccc1N1CCCC1 ZINC000409055073 556938570 /nfs/dbraw/zinc/93/85/70/556938570.db2.gz CCCLFIJXDOFPPT-MTDXEUNCSA-N 0 0 443.616 6.538 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409055841 556939114 /nfs/dbraw/zinc/93/91/14/556939114.db2.gz QGSBZPHKKNTJCM-BOPFTXTBSA-N 0 0 434.300 5.255 40 30 IKEBRN CCOC(=O)c1c(/N=C/c2cc([N+](=O)[O-])ccc2N(CC)CC)sc2c1CCCC2 ZINC000409067041 556942106 /nfs/dbraw/zinc/94/21/06/556942106.db2.gz IYBKBPDBBUZYTI-OEAKJJBVSA-N 0 0 429.542 5.309 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cccc(OCc2ccc(F)cc2)c1 ZINC000409075097 556943523 /nfs/dbraw/zinc/94/35/23/556943523.db2.gz UHXWYWJPDFZEOP-RPPGKUMJSA-N 0 0 433.361 5.778 40 30 IKEBRN COc1cccc(Oc2ccc(/N=C/c3ccc(Sc4ccc(Cl)cc4)cc3)cc2)c1 ZINC000409070858 556945311 /nfs/dbraw/zinc/94/53/11/556945311.db2.gz PDHWJLMKBYSRQA-MTDXEUNCSA-N 0 0 445.971 8.043 40 30 IKEBRN C=CCc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(OCC)c1OCCC ZINC000409070890 556945391 /nfs/dbraw/zinc/94/53/91/556945391.db2.gz HGGNHPJFBAFUEZ-UHFFFAOYSA-N 0 0 435.564 5.304 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)C1=O ZINC000409073820 556946728 /nfs/dbraw/zinc/94/67/28/556946728.db2.gz IULYUQQRIANOOJ-HYARGMPZSA-N 0 0 446.484 5.549 40 30 IKEBRN COc1cccc(C=NN=c2[nH]c3ccccc3s2)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409081412 556947417 /nfs/dbraw/zinc/94/74/17/556947417.db2.gz OBVXUIWCVWOSJN-QRVIBDJDSA-N 0 0 434.477 5.238 40 30 IKEBRN C=CCc1cc(/C=C2\C(=O)ON=C2C)cc(OC)c1OCc1ccc(Cl)cc1Cl ZINC000409081256 556947481 /nfs/dbraw/zinc/94/74/81/556947481.db2.gz GSEJILLGCMGZRU-NVMNQCDNSA-N 0 0 432.303 5.626 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409081786 556947684 /nfs/dbraw/zinc/94/76/84/556947684.db2.gz QGDCIWHGEIJCOE-SRZZPIQSSA-N 0 0 442.771 5.608 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)ccc1O ZINC000409081722 556947711 /nfs/dbraw/zinc/94/77/11/556947711.db2.gz QJFKPDQXHODBLE-AGSDWXNQSA-N 0 0 430.957 5.704 40 30 IKEBRN Cc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000409083883 556948084 /nfs/dbraw/zinc/94/80/84/556948084.db2.gz URVJIJSVLIZTMK-WALIPBEOSA-N 0 0 430.617 7.210 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc(OC)c(C)c2OC)S/C1=N/c1ccc(Cl)cc1 ZINC000409084779 556948424 /nfs/dbraw/zinc/94/84/24/556948424.db2.gz XONKDHDVTSRJTF-ZOVWXIRQSA-N 0 0 430.957 5.680 40 30 IKEBRN C#CCOc1cccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c1 ZINC000409084601 556948440 /nfs/dbraw/zinc/94/84/40/556948440.db2.gz WVWJPYMZDQTQQL-ZEHKLFRWSA-N 0 0 438.552 5.371 40 30 IKEBRN Cc1ccc(Cl)cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 ZINC000409085006 556948482 /nfs/dbraw/zinc/94/84/82/556948482.db2.gz YCKOQMPBSIOUIK-WBBAFLOHSA-N 0 0 437.008 7.743 40 30 IKEBRN Cc1ccsc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CC[C@@H](C(C)(C)C)C2 ZINC000409085869 556948845 /nfs/dbraw/zinc/94/88/45/556948845.db2.gz SVTKLPKJHYAUFS-JAYSCUBMSA-N 0 0 440.634 6.543 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409078865 556949047 /nfs/dbraw/zinc/94/90/47/556949047.db2.gz IOOQDTOFEPLWKR-SGXAETBLSA-N 0 0 440.012 6.263 40 30 IKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409093027 556949577 /nfs/dbraw/zinc/94/95/77/556949577.db2.gz YPSMBJHIOOWDOI-NSIKDUERSA-N 0 0 441.108 5.651 40 30 IKEBRN COc1ccccc1Oc1ccc(NC(C)=CC(=O)c2ccc(Br)cc2)cc1 ZINC000409094294 556949849 /nfs/dbraw/zinc/94/98/49/556949849.db2.gz DLVBRRJVDUKVCB-FOCLMDBBSA-N 0 0 438.321 6.449 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)C1=O ZINC000409094710 556950059 /nfs/dbraw/zinc/95/00/59/556950059.db2.gz FQUWEISLYXJJFO-XDHOZWIPSA-N 0 0 444.350 5.559 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1cccc(OCc2ccccc2F)c1 ZINC000409094495 556950087 /nfs/dbraw/zinc/95/00/87/556950087.db2.gz FHXOSOVXNCZMDC-RPPGKUMJSA-N 0 0 433.361 5.778 40 30 IKEBRN CC(=O)c1ccc(-c2ccc(C=Nc3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)cc1 ZINC000409088021 556950809 /nfs/dbraw/zinc/95/08/09/556950809.db2.gz DOXGNUBDHIAFHJ-HUZSXYRPSA-N 0 0 430.573 6.984 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(OCc4ccccc4F)cc3)sc2C1 ZINC000409087433 556950814 /nfs/dbraw/zinc/95/08/14/556950814.db2.gz CMWDKSZHDAQTDU-MKCCAMSKSA-N 0 0 446.591 7.239 40 30 IKEBRN Cc1cc(CN=Nc2ncccc2[N+](=O)[O-])c(C)n1-c1ccc(Br)c(Cl)c1 ZINC000409103838 556952552 /nfs/dbraw/zinc/95/25/52/556952552.db2.gz ZGCLISSXOHSYOL-LSHDLFTRSA-N 0 0 448.708 5.259 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000409104703 556952933 /nfs/dbraw/zinc/95/29/33/556952933.db2.gz HLVQOEKWCNNESE-DHDCSXOGSA-N 0 0 427.740 5.937 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O ZINC000409096893 556953247 /nfs/dbraw/zinc/95/32/47/556953247.db2.gz LINCRGUFEWEYKQ-FYJGNVAPSA-N 0 0 433.489 5.129 40 30 IKEBRN CC[C@H](C)Oc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409097673 556953573 /nfs/dbraw/zinc/95/35/73/556953573.db2.gz NTTNQMHDNOGXFK-OLLYESQCSA-N 0 0 446.267 5.495 40 30 IKEBRN CCOc1cc(Br)c(C=NNc2ccc(C(F)(F)F)cn2)cc1OCC ZINC000409098377 556954135 /nfs/dbraw/zinc/95/41/35/556954135.db2.gz LDZUDKJZXWOKGE-NUGSKGIGSA-N 0 0 432.240 5.106 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O ZINC000409099489 556954696 /nfs/dbraw/zinc/95/46/96/556954696.db2.gz NSYRTVDRZJWCKZ-KEBDBYFISA-N 0 0 443.355 6.219 40 30 IKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccccc1C#N ZINC000409099850 556954921 /nfs/dbraw/zinc/95/49/21/556954921.db2.gz LYYWBRPBODMYNY-KVSWJAHQSA-N 0 0 426.398 5.006 40 30 IKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000409101608 556955750 /nfs/dbraw/zinc/95/57/50/556955750.db2.gz PTVIQDHDOQJFFQ-JVWAILMASA-N 0 0 442.475 5.567 40 30 IKEBRN C=CCc1cc(CNc2ccc(OCC)cc2)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409109611 556957150 /nfs/dbraw/zinc/95/71/50/556957150.db2.gz ICHGMHWLSSTJAI-UHFFFAOYSA-N 0 0 437.967 6.667 40 30 IKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409111220 556957590 /nfs/dbraw/zinc/95/75/90/556957590.db2.gz AXPIMUJXWIGCBJ-UHFFFAOYSA-N 0 0 435.995 7.221 40 30 IKEBRN C=CCOc1c(I)cc(CNc2cccc(C)c2C)cc1OCC ZINC000409111179 556957644 /nfs/dbraw/zinc/95/76/44/556957644.db2.gz BCLZRUKSOHAZEF-UHFFFAOYSA-N 0 0 437.321 5.484 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccccc1Cl ZINC000409111698 556957881 /nfs/dbraw/zinc/95/78/81/556957881.db2.gz DNHGANSQAFTHRX-UHFFFAOYSA-N 0 0 442.386 7.230 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O ZINC000409105215 556958291 /nfs/dbraw/zinc/95/82/91/556958291.db2.gz JWUJSRDYJXDCOO-LFVJCYFKSA-N 0 0 445.540 6.040 40 30 IKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000409106718 556959090 /nfs/dbraw/zinc/95/90/90/556959090.db2.gz TVTYFUXWHFDAHQ-KBKYJPHKSA-N 0 0 446.385 5.042 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccccc2CC)cc1Br ZINC000409117944 556960340 /nfs/dbraw/zinc/96/03/40/556960340.db2.gz RRZSLJHZVBDVMQ-UHFFFAOYSA-N 0 0 425.164 5.951 40 30 IKEBRN O=C(Nc1cccnc1)c1c2c(sc1N=C1C(=O)Nc3ccc(Cl)cc31)CCCC2 ZINC000409117614 556960397 /nfs/dbraw/zinc/96/03/97/556960397.db2.gz PLVUQOOMTBFEGP-UHFFFAOYSA-N 0 0 436.924 5.001 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1 ZINC000409119802 556961061 /nfs/dbraw/zinc/96/10/61/556961061.db2.gz SYVPZGBAUSREFI-UDWIEESQSA-N 0 0 439.409 5.008 40 30 IKEBRN C=CCc1cc(CNc2ccc(CC)cc2)cc(OC)c1OCc1cccc2ccccc21 ZINC000409119737 556961086 /nfs/dbraw/zinc/96/10/86/556961086.db2.gz QQGRCFBREQLAKF-UHFFFAOYSA-N 0 0 437.583 7.330 40 30 IKEBRN Cc1ccc(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2OC(=O)c2ccco2)cc1 ZINC000409132147 556963707 /nfs/dbraw/zinc/96/37/07/556963707.db2.gz ZLZXHKBQYNKYTF-UHFFFAOYSA-N 0 0 449.466 5.066 40 30 IKEBRN CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(Cc3ccc(Cl)cc3)c21 ZINC000409132546 556963877 /nfs/dbraw/zinc/96/38/77/556963877.db2.gz KADMEBMCLHOZGN-UHFFFAOYSA-N 0 0 425.915 6.368 40 30 IKEBRN O=C(N=C1NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1)c1ccc(Cl)cc1 ZINC000409126567 556965650 /nfs/dbraw/zinc/96/56/50/556965650.db2.gz CQNQBHCXPIYIBE-WQRHYEAKSA-N 0 0 443.311 5.654 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccc(OC)cc2)SC(=Cc2cn(CC)c3ccccc23)C1=O ZINC000409127783 556966051 /nfs/dbraw/zinc/96/60/51/556966051.db2.gz HOIAAGUQKZHDPP-STZFKDTASA-N 0 0 448.544 5.213 40 30 IKEBRN C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)C1=O ZINC000409130065 556967353 /nfs/dbraw/zinc/96/73/53/556967353.db2.gz VWIJLZRSNJRELD-WOJGMQOQSA-N 0 0 447.318 5.050 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2cn(CC)c3ccccc23)C1=O ZINC000409133370 556968238 /nfs/dbraw/zinc/96/82/38/556968238.db2.gz SXBZLJDNMOMYKH-STZFKDTASA-N 0 0 432.545 5.513 40 30 IKEBRN N#Cc1c2c(sc1/N=C/c1cc(Cl)ccc1OCc1ccc(C#N)cc1)CCCC2 ZINC000409150018 556974839 /nfs/dbraw/zinc/97/48/39/556974839.db2.gz YIQKRPITOSUOBT-CCVNUDIWSA-N 0 0 431.948 6.353 40 30 IKEBRN Brc1ccc(/N=C2/c3ccccc3CN2c2ccc(Br)cc2)cc1 ZINC000015023415 556977666 /nfs/dbraw/zinc/97/76/66/556977666.db2.gz YZMUYKYGGZVXSN-ATJXCDBQSA-N 0 0 442.154 6.310 40 30 IKEBRN N#Cc1c(N)nc2c(c1N)[C@@H](c1ccc(Br)cc1)c1ccc3ccccc3c1O2 ZINC000015022739 556977736 /nfs/dbraw/zinc/97/77/36/556977736.db2.gz SVIAZIZVOOLBPP-SFHVURJKSA-N 0 0 443.304 5.319 40 30 IKEBRN CCc1ccc(/N=C2/S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4C)o3)C(=O)N2C)cc1 ZINC000409167687 556980796 /nfs/dbraw/zinc/98/07/96/556980796.db2.gz JIKSVVCCKBOABL-ASAQIREPSA-N 0 0 447.516 5.959 40 30 IKEBRN Cc1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)o2)cc1[N+](=O)[O-] ZINC000409168128 556980959 /nfs/dbraw/zinc/98/09/59/556980959.db2.gz KKQFCRLMSOGSQU-SRZZPIQSSA-N 0 0 445.456 5.271 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O ZINC000409170277 556982702 /nfs/dbraw/zinc/98/27/02/556982702.db2.gz VAUOCNAIDRBYAG-QRVIBDJDSA-N 0 0 444.487 5.513 40 30 IKEBRN COC(=O)COc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)cc1 ZINC000409173343 556984498 /nfs/dbraw/zinc/98/44/98/556984498.db2.gz PENKOPLJJGOGSS-STBIYBPSSA-N 0 0 436.467 5.788 40 30 IKEBRN COc1cc(C=NNc2nc3ccccc3[nH]2)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409175206 556985516 /nfs/dbraw/zinc/98/55/16/556985516.db2.gz XOQMAABEWBBGCY-BRJLIKDPSA-N 0 0 441.318 5.903 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C1=O ZINC000409172140 556985632 /nfs/dbraw/zinc/98/56/32/556985632.db2.gz IJRBARCCMZLCKC-AFUMVMLFSA-N 0 0 449.535 5.798 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C\c2c[nH]c3ccc(Br)cc23)C1=O ZINC000409172942 556987031 /nfs/dbraw/zinc/98/70/31/556987031.db2.gz GTDIUVWLQKDHLB-WSVATBPTSA-N 0 0 438.306 5.039 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)c2C)cc1 ZINC000409186918 556988134 /nfs/dbraw/zinc/98/81/34/556988134.db2.gz JNWUJVUJNZMTTD-IWIPYMOSSA-N 0 0 445.588 6.001 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S/C1=N/c1ccccc1 ZINC000409173843 556988261 /nfs/dbraw/zinc/98/82/61/556988261.db2.gz KTMOOSMXRVPDEL-IZSQXYTLSA-N 0 0 433.489 5.787 40 30 IKEBRN CCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OC ZINC000409198895 556992169 /nfs/dbraw/zinc/99/21/69/556992169.db2.gz ADFSXHUJUFOPQK-KEBDBYFISA-N 0 0 429.685 5.411 40 30 IKEBRN CCOc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)cc1 ZINC000409199099 556994244 /nfs/dbraw/zinc/99/42/44/556994244.db2.gz BKLDYGWTAACCKT-WPWMEQJKSA-N 0 0 426.472 6.476 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(Br)cc2)cc1OC ZINC000409197713 556995039 /nfs/dbraw/zinc/99/50/39/556995039.db2.gz MXRYVMXTLUMIJK-UHFFFAOYSA-N 0 0 427.136 5.397 40 30 IKEBRN COc1ccc(CN/N=C/c2ccc(-c3ccc(C)c(Br)c3)o2)cc1OC ZINC000020195936 556996847 /nfs/dbraw/zinc/99/68/47/556996847.db2.gz IJXURALUJMFJMS-ZMOGYAJESA-N 0 0 429.314 5.158 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1Cl ZINC000409208584 556997492 /nfs/dbraw/zinc/99/74/92/556997492.db2.gz CXLGFYOVKQCRGI-OPEKNORGSA-N 0 0 449.721 7.193 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc(Cl)c1O[C@@H](C)CC ZINC000409208946 556998069 /nfs/dbraw/zinc/99/80/69/556998069.db2.gz AYSBCHOBMUZNKF-ACYAHPIESA-N 0 0 439.021 6.005 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000409199260 556998531 /nfs/dbraw/zinc/99/85/31/556998531.db2.gz AWFAWIAMSBAVEH-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000409199246 556998545 /nfs/dbraw/zinc/99/85/45/556998545.db2.gz ANNAPUUBVWJMDZ-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000409199474 556998762 /nfs/dbraw/zinc/99/87/62/556998762.db2.gz DOVLKQPPCFNQRM-AFUMVMLFSA-N 0 0 440.337 6.104 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409199888 556998967 /nfs/dbraw/zinc/99/89/67/556998967.db2.gz FMQNEUHMBIOVGK-PCLIKHOPSA-N 0 0 443.952 5.819 40 30 IKEBRN COc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc32)cc1 ZINC000409199830 556998972 /nfs/dbraw/zinc/99/89/72/556998972.db2.gz FCTUMIYDTWFPGM-MFKUBSTISA-N 0 0 443.415 6.208 40 30 IKEBRN C#CCOc1c(I)cc(/C=N/c2ccc(CC)cc2)cc1OCC ZINC000409199948 556999168 /nfs/dbraw/zinc/99/91/68/556999168.db2.gz FXSXZKCUWWDCPZ-HYARGMPZSA-N 0 0 433.289 5.015 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 ZINC000409199978 556999252 /nfs/dbraw/zinc/99/92/52/556999252.db2.gz GEUSPLNOXJILSD-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCC)c(Br)c2)cc1 ZINC000409200070 556999484 /nfs/dbraw/zinc/99/94/84/556999484.db2.gz GHKYQFXKXHUOHW-RGVLZGJSSA-N 0 0 427.136 5.760 40 30 IKEBRN CCOC(=O)c1cc(-c2ccc(/C=N/NC(=S)Nc3ccccc3)o2)ccc1Cl ZINC000409200647 556999925 /nfs/dbraw/zinc/99/99/25/556999925.db2.gz JETSRLBZQXNPNU-YDZHTSKRSA-N 0 0 427.913 5.097 40 30 IKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(OC)cc2)cc1OCC ZINC000409200931 557000146 /nfs/dbraw/zinc/00/01/46/557000146.db2.gz KLWKQEZIRLTPMG-FYJGNVAPSA-N 0 0 437.277 5.014 40 30 IKEBRN Cc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1Cl ZINC000409201458 557000534 /nfs/dbraw/zinc/00/05/34/557000534.db2.gz NEISKBLSVYQFTP-ZRGSRPPYSA-N 0 0 434.801 7.118 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409201408 557000585 /nfs/dbraw/zinc/00/05/85/557000585.db2.gz MTEFQHYESFYIRN-MUFRIFMGSA-N 0 0 434.366 8.039 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)cc1 ZINC000409202135 557001192 /nfs/dbraw/zinc/00/11/92/557001192.db2.gz PDLCJEBGNSFHFZ-WYMPLXKRSA-N 0 0 431.275 6.240 40 30 IKEBRN CCc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000409202316 557001336 /nfs/dbraw/zinc/00/13/36/557001336.db2.gz RLPWHAIVYKDEJZ-OVVQPSECSA-N 0 0 429.541 6.229 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1 ZINC000409202637 557001660 /nfs/dbraw/zinc/00/16/60/557001660.db2.gz SLNUMZWOWJLFNT-OPEKNORGSA-N 0 0 449.721 7.193 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1C(C)C ZINC000409202408 557001732 /nfs/dbraw/zinc/00/17/32/557001732.db2.gz SJRRIYCJQYTQOH-PIINERKHSA-N 0 0 444.600 6.508 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2ccccc2C)cc1Cl ZINC000409202776 557001863 /nfs/dbraw/zinc/00/18/63/557001863.db2.gz UTAPXKCSTRTOAG-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2F)cc1Cl ZINC000409203127 557002156 /nfs/dbraw/zinc/00/21/56/557002156.db2.gz UPKWNJBVIKUPKV-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(OC)c2)cc1 ZINC000409203313 557002209 /nfs/dbraw/zinc/00/22/09/557002209.db2.gz VJVLWMJOVHXDRR-BUVRLJJBSA-N 0 0 445.924 5.266 40 30 IKEBRN CCOC(=O)c1cc(-c2ccc(C=NNc3ccc(Br)cc3)o2)ccc1Cl ZINC000409203943 557002852 /nfs/dbraw/zinc/00/28/52/557002852.db2.gz ZQGHEAJTPFMPSN-FSJBWODESA-N 0 0 447.716 5.985 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC ZINC000409209950 557004342 /nfs/dbraw/zinc/00/43/42/557004342.db2.gz JWQFSORPWNCWHB-WOJGMQOQSA-N 0 0 448.327 5.645 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1C(C)C ZINC000409209931 557004348 /nfs/dbraw/zinc/00/43/48/557004348.db2.gz ILCPSQVMKJOWSA-RRJMXWIWSA-N 0 0 428.985 6.008 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1 ZINC000409210154 557004628 /nfs/dbraw/zinc/00/46/28/557004628.db2.gz IIGTUKMPKRGEAN-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN Brc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000409210428 557004864 /nfs/dbraw/zinc/00/48/64/557004864.db2.gz JXLJYRYAQXLHKF-YDZHTSKRSA-N 0 0 445.154 6.541 40 30 IKEBRN CCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1Br ZINC000409210630 557005050 /nfs/dbraw/zinc/00/50/50/557005050.db2.gz KKVFOPYPBYGTGJ-AWQFTUOYSA-N 0 0 431.555 6.323 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)cc4)NC3=O)c2C)cc1 ZINC000409184357 557005232 /nfs/dbraw/zinc/00/52/32/557005232.db2.gz KSNQHWQJAMAVDY-HAHDFKILSA-N 0 0 431.561 5.693 40 30 IKEBRN Cc1cc(/C=N/c2ccc(Br)c(Cl)c2)c(C)n1NC(=O)c1ccccc1 ZINC000409210775 557005305 /nfs/dbraw/zinc/00/53/05/557005305.db2.gz LBKFTFIJDLDOII-FSJBWODESA-N 0 0 430.733 5.655 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(Cl)c2)cc1 ZINC000409211314 557005899 /nfs/dbraw/zinc/00/58/99/557005899.db2.gz NJHWKUIQQXCCKT-RWPZCVJISA-N 0 0 436.338 7.485 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)c(C)c1 ZINC000409211397 557005945 /nfs/dbraw/zinc/00/59/45/557005945.db2.gz NBFBIOXUHPTHJD-OEAKJJBVSA-N 0 0 444.350 5.584 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1 ZINC000409211452 557006179 /nfs/dbraw/zinc/00/61/79/557006179.db2.gz NQLXGJQAYCUPKC-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409211732 557006394 /nfs/dbraw/zinc/00/63/94/557006394.db2.gz MULYQTVNGORIKP-ZMOGYAJESA-N 0 0 430.729 6.441 40 30 IKEBRN O=[N+]([O-])c1ccc(Oc2ccc(Br)cc2/C=N/c2ccccc2)c([N+](=O)[O-])c1 ZINC000409211947 557006640 /nfs/dbraw/zinc/00/66/40/557006640.db2.gz OUBTVZAUVQQTNT-CIAFOILYSA-N 0 0 442.225 5.808 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=N\c3ccc(I)cc3)c2C)cc1 ZINC000409186563 557006719 /nfs/dbraw/zinc/00/67/19/557006719.db2.gz DUNVQXFNZCDHOJ-UCQKPKSFSA-N 0 0 444.316 5.848 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000409212237 557006832 /nfs/dbraw/zinc/00/68/32/557006832.db2.gz OEYBOZLRLMBUSC-ZMOGYAJESA-N 0 0 439.309 6.304 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 ZINC000409212425 557007061 /nfs/dbraw/zinc/00/70/61/557007061.db2.gz MEHRNSSZVPADBZ-MFKUBSTISA-N 0 0 440.337 6.186 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409212660 557007298 /nfs/dbraw/zinc/00/72/98/557007298.db2.gz RKGFBUHHRKBCRN-FSJBWODESA-N 0 0 441.827 6.016 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)sc2C1 ZINC000409212823 557007343 /nfs/dbraw/zinc/00/73/43/557007343.db2.gz RFCLFEXVDBSXKM-LYORIEDSSA-N 0 0 436.364 6.736 40 30 IKEBRN C=CCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OCC ZINC000409212962 557007634 /nfs/dbraw/zinc/00/76/34/557007634.db2.gz NOVMMLIXCAKTHD-LPYMAVHISA-N 0 0 435.305 5.622 40 30 IKEBRN Brc1ccc(COc2ccc(/C=N/c3cccnc3)cc2)c(Br)c1 ZINC000409187858 557007727 /nfs/dbraw/zinc/00/77/27/557007727.db2.gz VEEIFZGJSXHTOU-FOKLQQMPSA-N 0 0 446.142 5.936 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2cccc(Cl)c2C)cc1Br ZINC000409213301 557007828 /nfs/dbraw/zinc/00/78/28/557007828.db2.gz UCCBTSARRKDFEE-UFFVCSGVSA-N 0 0 445.582 6.713 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000409213475 557008131 /nfs/dbraw/zinc/00/81/31/557008131.db2.gz VXVZGAUOYSRGGL-OGLMXYFKSA-N 0 0 444.372 7.494 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(F)cc1 ZINC000409214361 557008920 /nfs/dbraw/zinc/00/89/20/557008920.db2.gz XCKDLOUNUOCGFA-AFUMVMLFSA-N 0 0 428.301 6.317 40 30 IKEBRN COC(=O)c1ccccc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 ZINC000409188123 557009076 /nfs/dbraw/zinc/00/90/76/557009076.db2.gz AWQPXHTZPZMDCU-SSVJFZKPSA-N 0 0 446.572 6.568 40 30 IKEBRN C(=N\c1ccc(Oc2ccccc2)cc1)\c1cccc(OCc2cccc3ccccc32)c1 ZINC000409214800 557009473 /nfs/dbraw/zinc/00/94/73/557009473.db2.gz YXPVUNBXVBPNPG-YQYKVWLJSA-N 0 0 429.519 7.962 40 30 IKEBRN O=[N+]([O-])c1cc(C=Nc2cccc(Cl)c2)ccc1Sc1n[nH]c(-c2ccccc2)n1 ZINC000409193383 557010103 /nfs/dbraw/zinc/01/01/03/557010103.db2.gz JQVXHJWBAHENIV-YDZHTSKRSA-N 0 0 435.896 5.935 40 30 IKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Br)o2)C2=C1CC(C)(C)CC2=O ZINC000409215603 557010484 /nfs/dbraw/zinc/01/04/84/557010484.db2.gz CDDNGNZESZLMSM-UHFFFAOYSA-N 0 0 446.385 5.748 40 30 IKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000409215898 557010745 /nfs/dbraw/zinc/01/07/45/557010745.db2.gz GIPKBZVNJMTZKY-ZVHZXABRSA-N 0 0 426.310 5.796 40 30 IKEBRN CN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(Cl)cc2Cl)C2=C1CC(C)(C)CC2=O ZINC000409216072 557010994 /nfs/dbraw/zinc/01/09/94/557010994.db2.gz HSQINTMJIHVKPS-UHFFFAOYSA-N 0 0 432.391 6.309 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409216812 557011891 /nfs/dbraw/zinc/01/18/91/557011891.db2.gz LTQLVAOXGOCPMK-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Br)cc(Br)c2OCC)cc1 ZINC000409217061 557012038 /nfs/dbraw/zinc/01/20/38/557012038.db2.gz RDKUAIPEBNWOAI-RGVLZGJSSA-N 0 0 427.136 5.760 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OCC ZINC000409217256 557012042 /nfs/dbraw/zinc/01/20/42/557012042.db2.gz UDXIPQVMGXRTPQ-SRZZPIQSSA-N 0 0 443.712 5.801 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000409217934 557012417 /nfs/dbraw/zinc/01/24/17/557012417.db2.gz RSPRDLIIPXPWJZ-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN C#CCOc1c(Br)cc(CNc2ccc(Br)cc2)cc1OCC ZINC000409198985 557012668 /nfs/dbraw/zinc/01/26/68/557012668.db2.gz GLFIIHZBWCSZRS-UHFFFAOYSA-N 0 0 439.147 5.234 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409218013 557012680 /nfs/dbraw/zinc/01/26/80/557012680.db2.gz SBMJXWQFGYXSFB-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)N1C(C)C ZINC000409218372 557012688 /nfs/dbraw/zinc/01/26/88/557012688.db2.gz ILIIDYOQLZEEQD-GRUKXCDCSA-N 0 0 439.537 5.263 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409218892 557012872 /nfs/dbraw/zinc/01/28/72/557012872.db2.gz XUYWWUIMNKBAFU-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)cc1 ZINC000409199265 557013005 /nfs/dbraw/zinc/01/30/05/557013005.db2.gz AYFCDUMTESLVDC-ZXVVBBHZSA-N 0 0 443.524 6.306 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Br)ccc2OCC(=O)Nc2ccccc2)c1 ZINC000409200062 557013030 /nfs/dbraw/zinc/01/30/30/557013030.db2.gz GKWKUYATLGFMMJ-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3cccc(Cl)c3C)cc2Cl)c1 ZINC000409199631 557013168 /nfs/dbraw/zinc/01/31/68/557013168.db2.gz CHOYKCANLPFRRG-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN Fc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(Oc3ccccc3)cc2)cc1 ZINC000409199464 557013188 /nfs/dbraw/zinc/01/31/88/557013188.db2.gz CXSSVSGOXYVRFI-UZWMFBFFSA-N 0 0 447.509 8.101 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409200187 557013196 /nfs/dbraw/zinc/01/31/96/557013196.db2.gz HJZOZCZNUHCTCA-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c1C ZINC000409199814 557013381 /nfs/dbraw/zinc/01/33/81/557013381.db2.gz DYIRTCYNHRGZPF-HPUZYZMBSA-N 0 0 446.016 5.845 40 30 IKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 ZINC000409199929 557013460 /nfs/dbraw/zinc/01/34/60/557013460.db2.gz FVPBWEJZBYPQHW-MZJWZYIUSA-N 0 0 436.939 6.042 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409199954 557013466 /nfs/dbraw/zinc/01/34/66/557013466.db2.gz GBSLWNMHQBMLEX-FOKLQQMPSA-N 0 0 446.246 6.661 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1 ZINC000409200291 557013474 /nfs/dbraw/zinc/01/34/74/557013474.db2.gz HNZYWFRFUMNUTE-KOEQRZSOSA-N 0 0 439.533 5.311 40 30 IKEBRN Fc1cccc(COc2ccc(Cl)cc2/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409199800 557013509 /nfs/dbraw/zinc/01/35/09/557013509.db2.gz DMUNGRYSBBLUEZ-STBIYBPSSA-N 0 0 431.894 7.601 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl ZINC000409200254 557013513 /nfs/dbraw/zinc/01/35/13/557013513.db2.gz HHKMKXYZYRFKDD-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1C ZINC000409199944 557013538 /nfs/dbraw/zinc/01/35/38/557013538.db2.gz FXZYAKVVEMMDLQ-UVHMKAGCSA-N 0 0 441.358 6.687 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409200679 557013871 /nfs/dbraw/zinc/01/38/71/557013871.db2.gz JQZWNWMLNMCEEH-FSJBWODESA-N 0 0 441.827 6.016 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409200876 557014048 /nfs/dbraw/zinc/01/40/48/557014048.db2.gz JXJGUKRVBXOTQS-YDZHTSKRSA-N 0 0 441.281 5.696 40 30 IKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1 ZINC000409201497 557014313 /nfs/dbraw/zinc/01/43/13/557014313.db2.gz NUAURXSZZSYEBO-RDRPBHBLSA-N 0 0 443.930 7.471 40 30 IKEBRN N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000409201609 557014346 /nfs/dbraw/zinc/01/43/46/557014346.db2.gz MZJLYGSAXXPBSY-WSDLNYQXSA-N 0 0 446.915 6.032 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(OC)cc2)cc1Br ZINC000409201474 557014359 /nfs/dbraw/zinc/01/43/59/557014359.db2.gz NKPCRIUXQNRJSB-RGVLZGJSSA-N 0 0 427.136 5.760 40 30 IKEBRN Cc1cccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc32)c1C ZINC000409202081 557014623 /nfs/dbraw/zinc/01/46/23/557014623.db2.gz OQLJLDHDEXDHHH-CVKSISIWSA-N 0 0 441.443 6.816 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409202092 557014719 /nfs/dbraw/zinc/01/47/19/557014719.db2.gz OUHPRYMQAHVTGY-ZVHZXABRSA-N 0 0 429.925 5.484 40 30 IKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409201861 557014738 /nfs/dbraw/zinc/01/47/38/557014738.db2.gz OGINCHNJUJAKCX-FSJBWODESA-N 0 0 441.827 6.016 40 30 IKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc2c(ccn2Cc2cccc(F)c2)c1 ZINC000409227622 557014752 /nfs/dbraw/zinc/01/47/52/557014752.db2.gz QXNQLWDDQOHZLL-OEAKJJBVSA-N 0 0 445.494 5.859 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2cccc(/C=N\c3ccc(Oc4ccccc4)cc3)c2)cc1 ZINC000409203558 557014829 /nfs/dbraw/zinc/01/48/29/557014829.db2.gz YCNLBRRLFNGUBF-DIBXZPPDSA-N 0 0 443.524 6.306 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409203408 557014839 /nfs/dbraw/zinc/01/48/39/557014839.db2.gz WZANXLLXTJOKLU-ZVHZXABRSA-N 0 0 429.925 5.484 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000409203307 557014908 /nfs/dbraw/zinc/01/49/08/557014908.db2.gz WIJIXVJLWGOEIZ-YDZHTSKRSA-N 0 0 441.827 6.098 40 30 IKEBRN Cc1ccc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)c(Br)c1 ZINC000409228187 557015007 /nfs/dbraw/zinc/01/50/07/557015007.db2.gz VOFCTXIZSFSVFD-KEBDBYFISA-N 0 0 445.229 5.280 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1C ZINC000409203720 557015287 /nfs/dbraw/zinc/01/52/87/557015287.db2.gz XNOUSUKDXBLNJN-UVHMKAGCSA-N 0 0 441.358 6.687 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409202879 557015719 /nfs/dbraw/zinc/01/57/19/557015719.db2.gz SWZOWQKEMZMURQ-JFLMPSFJSA-N 0 0 436.939 6.124 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 ZINC000409202882 557015732 /nfs/dbraw/zinc/01/57/32/557015732.db2.gz SYNKJQSRIRUZJH-JFLMPSFJSA-N 0 0 436.939 5.988 40 30 IKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/c2cccc(Cl)c2C)cc1 ZINC000409203124 557015750 /nfs/dbraw/zinc/01/57/50/557015750.db2.gz WFJGPFZKSNBCGX-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)c(C)c1 ZINC000409203121 557015847 /nfs/dbraw/zinc/01/58/47/557015847.db2.gz WEMBBJYGTYYGGT-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)SC1=Nc1ccccc1 ZINC000409221243 557016804 /nfs/dbraw/zinc/01/68/04/557016804.db2.gz NFKVJLNTWMCSTR-UECNKTLHSA-N 0 0 446.576 5.130 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409208145 557018192 /nfs/dbraw/zinc/01/81/92/557018192.db2.gz BIARHZQVWLNLNC-LGJNPRDNSA-N 0 0 442.328 6.543 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2C)S/C1=N/c1ccc(OC)cc1 ZINC000409236117 557018184 /nfs/dbraw/zinc/01/81/84/557018184.db2.gz RDEVQNRGWICMRK-AOUVVKEYSA-N 0 0 435.593 5.618 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409208224 557018643 /nfs/dbraw/zinc/01/86/43/557018643.db2.gz AVVBRLHYKXEYLX-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 ZINC000409207837 557018746 /nfs/dbraw/zinc/01/87/46/557018746.db2.gz BBEVLBVBBONYTC-FSJBWODESA-N 0 0 425.828 6.316 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)cc1Cl ZINC000409208014 557019386 /nfs/dbraw/zinc/01/93/86/557019386.db2.gz AEUDRDQJPNWSLI-RPPGKUMJSA-N 0 0 434.801 7.118 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409208437 557019703 /nfs/dbraw/zinc/01/97/03/557019703.db2.gz FXDQYCKTFURAIQ-JFLMPSFJSA-N 0 0 436.939 6.124 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1 ZINC000409208805 557020098 /nfs/dbraw/zinc/02/00/98/557020098.db2.gz DLINZRGGRHPQGI-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 ZINC000409209510 557020285 /nfs/dbraw/zinc/02/02/85/557020285.db2.gz CBFFJODJIKNBDO-CVKSISIWSA-N 0 0 438.365 6.658 40 30 IKEBRN O=S(=O)(Oc1ccc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1)c1ccccc1 ZINC000409210011 557020314 /nfs/dbraw/zinc/02/03/14/557020314.db2.gz JBGHMGIDVWKVQZ-LGUFXXKBSA-N 0 0 429.497 5.997 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409209276 557020425 /nfs/dbraw/zinc/02/04/25/557020425.db2.gz FBRQBRFHMRDJSJ-FOKLQQMPSA-N 0 0 446.246 6.661 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000409209865 557020586 /nfs/dbraw/zinc/02/05/86/557020586.db2.gz JNZLKOZEVGKENE-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN C=CCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OC ZINC000409209561 557020678 /nfs/dbraw/zinc/02/06/78/557020678.db2.gz HAGRPOCLNXMDPT-SRZZPIQSSA-N 0 0 441.696 5.577 40 30 IKEBRN Cc1cccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)c1C ZINC000409209786 557020732 /nfs/dbraw/zinc/02/07/32/557020732.db2.gz IRFXTSBAGCIOHO-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1C ZINC000409209763 557020778 /nfs/dbraw/zinc/02/07/78/557020778.db2.gz HWJWQRKGTUSCDE-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000409210649 557020999 /nfs/dbraw/zinc/02/09/99/557020999.db2.gz GBQNWHJZINTBGY-MZJWZYIUSA-N 0 0 444.409 6.728 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409210659 557021076 /nfs/dbraw/zinc/02/10/76/557021076.db2.gz KNRKENUMNLIZKJ-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409210202 557021391 /nfs/dbraw/zinc/02/13/91/557021391.db2.gz FLTBWFRVFGVNHN-LGJNPRDNSA-N 0 0 430.382 6.474 40 30 IKEBRN CCOc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000409240601 557021651 /nfs/dbraw/zinc/02/16/51/557021651.db2.gz HCVNIFFHOOVVGC-LICLKQGHSA-N 0 0 437.348 5.601 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1C ZINC000409210402 557022081 /nfs/dbraw/zinc/02/20/81/557022081.db2.gz JMZIEZWKZFOOKP-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(F)c1 ZINC000409210753 557022800 /nfs/dbraw/zinc/02/28/00/557022800.db2.gz MIICYDUWCVGIMM-UVHMKAGCSA-N 0 0 432.322 7.169 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2)c1 ZINC000409210876 557022945 /nfs/dbraw/zinc/02/29/45/557022945.db2.gz LIIOMSYKKWZXFB-VUTHCHCSSA-N 0 0 436.511 6.555 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCC(=O)Nc2ccccc2)ccc2ccccc21 ZINC000409211003 557023377 /nfs/dbraw/zinc/02/33/77/557023377.db2.gz LOYISRCZCYKFFY-LQKURTRISA-N 0 0 428.919 6.570 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1Br ZINC000409211197 557023466 /nfs/dbraw/zinc/02/34/66/557023466.db2.gz IGCISQNHYHXMTP-CIAFOILYSA-N 0 0 441.163 6.150 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000409212049 557024433 /nfs/dbraw/zinc/02/44/33/557024433.db2.gz LPCPAOZWWBSQKB-ZVHZXABRSA-N 0 0 429.925 5.484 40 30 IKEBRN CC(C)/N=C1\S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C(=O)N1C(C)C ZINC000409212085 557024641 /nfs/dbraw/zinc/02/46/41/557024641.db2.gz OULLLJSQOAHKEJ-AQWOHROKSA-N 0 0 431.026 6.580 40 30 IKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(N3CCCC3)cc2)C2=C1CC(C)(C)CC2=O ZINC000409211500 557025312 /nfs/dbraw/zinc/02/53/12/557025312.db2.gz OANFSKRRSKTBTA-UHFFFAOYSA-N 0 0 446.635 5.992 40 30 IKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2Br)cc1 ZINC000409211590 557025318 /nfs/dbraw/zinc/02/53/18/557025318.db2.gz LUBLAKWOIRYTRJ-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000409212193 557025645 /nfs/dbraw/zinc/02/56/45/557025645.db2.gz PYUPQIWOHNTYAA-FSJBWODESA-N 0 0 425.828 6.316 40 30 IKEBRN CCCOc1c(I)cc(/C=N/c2cc(C)ccc2C)cc1OCC ZINC000409212377 557025773 /nfs/dbraw/zinc/02/57/73/557025773.db2.gz QUFLJZGGCCHVNO-LPYMAVHISA-N 0 0 437.321 5.846 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1cccc(F)c1 ZINC000409212294 557025938 /nfs/dbraw/zinc/02/59/38/557025938.db2.gz OPJCUQRHUVLTDW-VULFUBBASA-N 0 0 442.328 6.625 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc3ccccc32)cc1 ZINC000409212540 557026146 /nfs/dbraw/zinc/02/61/46/557026146.db2.gz QXAGRUVSXJURAH-OGLMXYFKSA-N 0 0 444.372 7.494 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 ZINC000409212535 557026185 /nfs/dbraw/zinc/02/61/85/557026185.db2.gz MYXBMLWGBRYPJL-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 ZINC000409212637 557026297 /nfs/dbraw/zinc/02/62/97/557026297.db2.gz RQIAGGHNGRRRCJ-AFUMVMLFSA-N 0 0 428.301 6.317 40 30 IKEBRN Cc1cccc(COc2ccc(/C=N\c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)cc2)c1 ZINC000409212625 557026338 /nfs/dbraw/zinc/02/63/38/557026338.db2.gz RPQZLYZXEHDMAJ-AILRPVNASA-N 0 0 442.628 7.409 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)cc3)S2)cc1 ZINC000409245278 557027085 /nfs/dbraw/zinc/02/70/85/557027085.db2.gz QDYLBPMHPODQJM-KQWNVCNZSA-N 0 0 446.597 6.437 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cc([N+](=O)[O-])c(Cl)cc3Cl)sc2C1 ZINC000409212825 557027155 /nfs/dbraw/zinc/02/71/55/557027155.db2.gz RFCLFEXVDBSXKM-ZCUUTASWSA-N 0 0 436.364 6.736 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2cccc(F)c2)c(Br)c1 ZINC000409213001 557027163 /nfs/dbraw/zinc/02/71/63/557027163.db2.gz SYXPELRCUGEKFK-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN Cc1ccc(/N=C/c2c(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])ccc3ccccc32)cc1C ZINC000409214138 557027235 /nfs/dbraw/zinc/02/72/35/557027235.db2.gz WGBMMJKKUAEPTK-CVKSISIWSA-N 0 0 441.443 6.816 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1C(C)C ZINC000409214247 557027452 /nfs/dbraw/zinc/02/74/52/557027452.db2.gz WICCEJSFELBMFU-GRUKXCDCSA-N 0 0 439.537 5.263 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1Cl ZINC000409214141 557027455 /nfs/dbraw/zinc/02/74/55/557027455.db2.gz WOGDCXGIKSWWGI-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN COc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000409213531 557027636 /nfs/dbraw/zinc/02/76/36/557027636.db2.gz UGHNWZJGMVDELN-LGJNPRDNSA-N 0 0 443.330 6.079 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(CCC)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409246050 557027712 /nfs/dbraw/zinc/02/77/12/557027712.db2.gz DDYJYUTXFVOQJW-KGENOOAVSA-N 0 0 441.524 5.588 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1Cl ZINC000409213918 557028027 /nfs/dbraw/zinc/02/80/27/557028027.db2.gz UJLUUHFJRFVBJQ-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000409214018 557028080 /nfs/dbraw/zinc/02/80/80/557028080.db2.gz WTHFDWNNNTZOBG-VULFUBBASA-N 0 0 442.328 6.625 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)ccc1OCc1cccc2ccccc21 ZINC000409215430 557028252 /nfs/dbraw/zinc/02/82/52/557028252.db2.gz YQIUAMKCEMQVHN-STBIYBPSSA-N 0 0 429.947 7.530 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccc(OC)cc3)N(CC)C2=O)cc(Cl)c1OC ZINC000409247322 557028558 /nfs/dbraw/zinc/02/85/58/557028558.db2.gz MQTWCZVSKZATNB-BBWXTVSKSA-N 0 0 446.956 5.380 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)c1 ZINC000409214710 557029421 /nfs/dbraw/zinc/02/94/21/557029421.db2.gz XWAGROQSDFKYFZ-KKMKTNMSSA-N 0 0 448.828 7.427 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2cccc(Cl)c2)c(Br)c1 ZINC000409214732 557029486 /nfs/dbraw/zinc/02/94/86/557029486.db2.gz TWWVMHGMMVIEEY-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN O=C1NC(=Nc2ccccc2Cl)S/C1=C\c1ccc(-c2ccccc2C(F)(F)F)o1 ZINC000409215397 557029517 /nfs/dbraw/zinc/02/95/17/557029517.db2.gz XVXLXYOEKJDEGR-WQRHYEAKSA-N 0 0 448.853 6.510 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1 ZINC000409215878 557030079 /nfs/dbraw/zinc/03/00/79/557030079.db2.gz GAMBXRBRKZSLMI-HUOZHCEOSA-N 0 0 438.593 5.753 40 30 IKEBRN C=CCOc1c(I)cc(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000409215826 557030117 /nfs/dbraw/zinc/03/01/17/557030117.db2.gz BMKNENAUZVDRJO-SRZZPIQSSA-N 0 0 441.696 5.577 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 ZINC000409215821 557030204 /nfs/dbraw/zinc/03/02/04/557030204.db2.gz FOMHXKNBDCJADB-MFKUBSTISA-N 0 0 440.337 6.186 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 ZINC000409215754 557030235 /nfs/dbraw/zinc/03/02/35/557030235.db2.gz FAIDLDNKGUABQV-CVKSISIWSA-N 0 0 438.365 6.794 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OCc1ccc(F)cc1 ZINC000408527421 557030253 /nfs/dbraw/zinc/03/02/53/557030253.db2.gz ALIYCCINBHMRTQ-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN C#CCOc1c(I)cc(/C=N/c2cccc(C)c2C)cc1OCC ZINC000409216079 557030643 /nfs/dbraw/zinc/03/06/43/557030643.db2.gz HTXDFJZQZLWMKJ-LPYMAVHISA-N 0 0 433.289 5.069 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C(=O)N1C(C)C ZINC000409216343 557030648 /nfs/dbraw/zinc/03/06/48/557030648.db2.gz HMHVVGIHDMIOEJ-GRUKXCDCSA-N 0 0 439.537 5.263 40 30 IKEBRN C#CCOc1c(I)cc(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000409216376 557030671 /nfs/dbraw/zinc/03/06/71/557030671.db2.gz KNBGZGHSZRYYQO-SRZZPIQSSA-N 0 0 439.680 5.024 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(Cl)cc2)c(C)c1 ZINC000409216466 557030873 /nfs/dbraw/zinc/03/08/73/557030873.db2.gz LKACDDYUGAWVBH-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN Clc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1 ZINC000409216434 557030942 /nfs/dbraw/zinc/03/09/42/557030942.db2.gz LCJRTSYXDZGYSU-STBIYBPSSA-N 0 0 448.349 8.115 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409216846 557031286 /nfs/dbraw/zinc/03/12/86/557031286.db2.gz MDVBXSQTTRAPDE-LGJNPRDNSA-N 0 0 430.382 6.474 40 30 IKEBRN C=CCOc1c(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cccc1OC ZINC000408528374 557031368 /nfs/dbraw/zinc/03/13/68/557031368.db2.gz FYLYFYJVFDDZGI-ZDLGFXPLSA-N 0 0 433.888 5.289 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccccc3C)cc2Br)c1 ZINC000409217008 557031374 /nfs/dbraw/zinc/03/13/74/557031374.db2.gz NEFPQPCNUJPLRM-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409217128 557031569 /nfs/dbraw/zinc/03/15/69/557031569.db2.gz SCQPFIBRMFUWPU-JFLMPSFJSA-N 0 0 436.939 6.124 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 ZINC000409218038 557031955 /nfs/dbraw/zinc/03/19/55/557031955.db2.gz SGXDZEPAPFTUJS-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cccc(OCc2cccc(F)c2)c1 ZINC000408532879 557031970 /nfs/dbraw/zinc/03/19/70/557031970.db2.gz WMZRJXIGMLYQHE-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000408534214 557032252 /nfs/dbraw/zinc/03/22/52/557032252.db2.gz UFTISSHQTLPRRU-HMAPJEAMSA-N 0 0 445.500 5.374 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409218322 557032361 /nfs/dbraw/zinc/03/23/61/557032361.db2.gz UAIRJBTUFLXOPR-VULFUBBASA-N 0 0 438.911 6.593 40 30 IKEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O ZINC000408533935 557032385 /nfs/dbraw/zinc/03/23/85/557032385.db2.gz RKLSJVZRGPIAHB-STZFKDTASA-N 0 0 436.533 5.050 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1Br ZINC000408534569 557032392 /nfs/dbraw/zinc/03/23/92/557032392.db2.gz VOHZIZDFFNPEIL-PDGQHHTCSA-N 0 0 429.339 5.214 40 30 IKEBRN CCCOc1c(Br)cc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1OC ZINC000408533294 557032450 /nfs/dbraw/zinc/03/24/50/557032450.db2.gz XVNHKRLCTNEDCG-ATVHPVEESA-N 0 0 447.354 5.138 40 30 IKEBRN O=C1/C(=C/c2ccccc2O)S/C(=N\c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000408535591 557032658 /nfs/dbraw/zinc/03/26/58/557032658.db2.gz ZVUVEDLDKMTWJH-ORVWWNJKSA-N 0 0 441.339 6.508 40 30 IKEBRN CCCCCCCCOc1ccc(Br)cc1C=C1SC(=S)NC1=O ZINC000408538806 557033025 /nfs/dbraw/zinc/03/30/25/557033025.db2.gz BYCTYVBJJPBENG-FOWTUZBSSA-N 0 0 428.417 5.677 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 ZINC000409218908 557033041 /nfs/dbraw/zinc/03/30/41/557033041.db2.gz YEZSEQHGQCJJQI-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN CCN(CC)c1ccc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)cc1Br ZINC000409219021 557033054 /nfs/dbraw/zinc/03/30/54/557033054.db2.gz ZRGFOQRSOSADJC-FTIPTLOASA-N 0 0 438.435 5.384 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c(C)c1 ZINC000409219049 557033142 /nfs/dbraw/zinc/03/31/42/557033142.db2.gz MSGHZOPXJAWBLX-BRJLIKDPSA-N 0 0 429.303 6.848 40 30 IKEBRN COc1cc(/C=N\c2ccccc2O)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408540960 557033339 /nfs/dbraw/zinc/03/33/39/557033339.db2.gz ABIGGCMXYPHVAL-VEILYXNESA-N 0 0 444.531 5.357 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3cccc(C(=O)OC)c3C)c3ccccc32)c1 ZINC000408542335 557033672 /nfs/dbraw/zinc/03/36/72/557033672.db2.gz KUVKWRRGHFLQNZ-RWPZCVJISA-N 0 0 440.499 5.322 40 30 IKEBRN CCCCCCOc1ccc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 ZINC000408539512 557033887 /nfs/dbraw/zinc/03/38/87/557033887.db2.gz ICSWNDUFNJSBGS-UHFFFAOYSA-N 0 0 427.972 6.000 40 30 IKEBRN CCCCCCOc1c(Cl)cc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1Cl ZINC000408542578 557033892 /nfs/dbraw/zinc/03/38/92/557033892.db2.gz MIBOBJFUJZUXAJ-XMHGGMMESA-N 0 0 449.403 6.844 40 30 IKEBRN COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1OCc1ccccc1C#N ZINC000408542488 557033911 /nfs/dbraw/zinc/03/39/11/557033911.db2.gz JSQHJSJQEKYQGX-BQYQJAHWSA-N 0 0 425.828 5.174 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(Br)cc3)c3ccccc32)c1 ZINC000408542764 557033915 /nfs/dbraw/zinc/03/39/15/557033915.db2.gz NTXWMYBESQTGFC-VULFUBBASA-N 0 0 447.332 5.989 40 30 IKEBRN COc1cc(/C=N\c2ccccc2F)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408545507 557034247 /nfs/dbraw/zinc/03/42/47/557034247.db2.gz ZJFIFKRGRGTVLH-MIXAMLLLSA-N 0 0 446.522 5.790 40 30 IKEBRN CCCCCCOc1ccc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC ZINC000408540425 557034282 /nfs/dbraw/zinc/03/42/82/557034282.db2.gz RPTYOMUPAUKUCQ-UHFFFAOYSA-N 0 0 437.580 5.698 40 30 IKEBRN CCCCCCOc1ccc(Cl)cc1/C=C1/SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408540368 557034298 /nfs/dbraw/zinc/03/42/98/557034298.db2.gz QVLXXWUNGGAENJ-XSFVSMFZSA-N 0 0 449.403 6.844 40 30 IKEBRN CCCCCCOc1ccc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1OCC ZINC000408540277 557034309 /nfs/dbraw/zinc/03/43/09/557034309.db2.gz PMMIBGVTNVJRTI-UHFFFAOYSA-N 0 0 437.580 5.745 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(C(=O)OC)cc3C)c3ccccc32)c1 ZINC000408543482 557034663 /nfs/dbraw/zinc/03/46/63/557034663.db2.gz RKDCRMYTOLHMSM-RWPZCVJISA-N 0 0 440.499 5.322 40 30 IKEBRN Ic1ccccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408549890 557035364 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IKEBRN COc1ccc(-c2oc(/N=C/c3cc(C)ccc3O)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000409223730 557044688 /nfs/dbraw/zinc/04/46/88/557044688.db2.gz IINDPWPBKCVKBJ-MUFRIFMGSA-N 0 0 438.483 6.267 40 30 IKEBRN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)Cn3cc(C=O)c4ccccc43)sc2C1 ZINC000408580561 557044960 /nfs/dbraw/zinc/04/49/60/557044960.db2.gz CJFBHXKNOBKHBA-QGZVFWFLSA-N 0 0 433.577 5.567 40 30 IKEBRN O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1cc(Cl)ccc1O ZINC000409278585 557045363 /nfs/dbraw/zinc/04/53/63/557045363.db2.gz GECAGYWEPDCBIC-UHFFFAOYSA-N 0 0 443.812 5.324 40 30 IKEBRN Cc1cc(/C=N/c2oc(C)c(C)c2C#N)c(C)n1-c1ccccc1I ZINC000408586043 557045858 /nfs/dbraw/zinc/04/58/58/557045858.db2.gz AYARFNXKZCGMLT-FOKLQQMPSA-N 0 0 443.288 5.531 40 30 IKEBRN Cc1c(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc2n1Cc1ccc(F)cc1 ZINC000408587066 557046266 /nfs/dbraw/zinc/04/62/66/557046266.db2.gz DURUOSOYHOWTHP-DHRITJCHSA-N 0 0 447.426 5.400 40 30 IKEBRN Cc1cc(/C=N/OCc2ccccc2C#N)c(C)n1-c1ccc(Br)cc1F ZINC000408587852 557046297 /nfs/dbraw/zinc/04/62/97/557046297.db2.gz AJBQGIJRRWHWQR-BRJLIKDPSA-N 0 0 426.289 5.418 40 30 IKEBRN CCOc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cc2cc(Cl)ccc2o1 ZINC000409280606 557046466 /nfs/dbraw/zinc/04/64/66/557046466.db2.gz BSCSFTSBOUZKHI-UHFFFAOYSA-N 0 0 443.890 5.744 40 30 IKEBRN CC[C@H](C)n1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c2ccccc21 ZINC000409281928 557047448 /nfs/dbraw/zinc/04/74/48/557047448.db2.gz NMDNZHUXYBZOLK-AWEZNQCLSA-N 0 0 437.341 5.275 40 30 IKEBRN CC[C@@H](C)n1cc(C=Nn2c(C)nc3ccc(Br)cc3c2=O)c2ccccc21 ZINC000409281930 557047460 /nfs/dbraw/zinc/04/74/60/557047460.db2.gz NMDNZHUXYBZOLK-CQSZACIVSA-N 0 0 437.341 5.275 40 30 IKEBRN CC(C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccc(C(F)(F)F)c1 ZINC000409285583 557049429 /nfs/dbraw/zinc/04/94/29/557049429.db2.gz XQCXGPGIZZSBHR-UHFFFAOYSA-N 0 0 438.247 5.183 40 30 IKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccccc1Sc1ccccc1 ZINC000409291990 557049634 /nfs/dbraw/zinc/04/96/34/557049634.db2.gz RSNWRCIKFSLKSS-UHFFFAOYSA-N 0 0 439.584 6.478 40 30 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6.906 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(-c3cccc(C)c3C)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409229197 557055390 /nfs/dbraw/zinc/05/53/90/557055390.db2.gz LBCDDDZZSLOONK-FVGZADTASA-N 0 0 447.579 6.474 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000408593486 557055470 /nfs/dbraw/zinc/05/54/70/557055470.db2.gz PXIVSFMOMJVBOQ-KKMKTNMSSA-N 0 0 445.733 6.648 40 30 IKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc2ccccc2c1 ZINC000408591281 557056335 /nfs/dbraw/zinc/05/63/35/557056335.db2.gz JKGHWDNSCLILRL-JVWAILMASA-N 0 0 442.471 5.886 40 30 IKEBRN COc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc(Cl)c(Cl)c1 ZINC000408593439 557056468 /nfs/dbraw/zinc/05/64/68/557056468.db2.gz POSLHOGXGYQGCW-UVHMKAGCSA-N 0 0 441.314 6.003 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2c(OCc3ccccc3Cl)ccc3ccccc32)c1 ZINC000408591169 557056491 /nfs/dbraw/zinc/05/64/91/557056491.db2.gz IUIADEKSQVXHLN-JFLMPSFJSA-N 0 0 446.890 6.531 40 30 IKEBRN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=C/C=C/c1ccccc1 ZINC000409310644 557057567 /nfs/dbraw/zinc/05/75/67/557057567.db2.gz BUGDNWBKJFZTJU-NZNHPNLESA-N 0 0 436.353 5.754 40 30 IKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)ccc1OCc1ccc2ccccc2c1 ZINC000408593803 557057760 /nfs/dbraw/zinc/05/77/60/557057760.db2.gz RLMIMLPMHDDBTR-UXHLAJHPSA-N 0 0 436.511 6.240 40 30 IKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408594497 557058039 /nfs/dbraw/zinc/05/80/39/557058039.db2.gz HNKZARAGJQVLPG-CCVNUDIWSA-N 0 0 438.886 5.879 40 30 IKEBRN CCN1C(=O)/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)S/C1=N/c1ccc(F)cc1 ZINC000409231285 557058177 /nfs/dbraw/zinc/05/81/77/557058177.db2.gz JQOGDUNQBVSAME-NFVLHAOASA-N 0 0 436.468 5.149 40 30 IKEBRN CC[C@@H](C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)cc1 ZINC000409304753 557058470 /nfs/dbraw/zinc/05/84/70/557058470.db2.gz KUNHNNASIZISIK-OAHLLOKOSA-N 0 0 442.357 5.342 40 30 IKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(C(C)C)cc3)cc21 ZINC000409304765 557058537 /nfs/dbraw/zinc/05/85/37/557058537.db2.gz KVYAUDSBROEUTL-UHFFFAOYSA-N 0 0 437.499 5.824 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=C3\SC(=Nc4cccc(C)c4C)NC3=O)cc2)cc1 ZINC000409231809 557058538 /nfs/dbraw/zinc/05/85/38/557058538.db2.gz MIKURGXNJJHWQZ-HAHDFKILSA-N 0 0 430.598 6.655 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1c(OCc2ccccc2Cl)ccc2ccccc21 ZINC000408595297 557058691 /nfs/dbraw/zinc/05/86/91/557058691.db2.gz LZKVJASEFPODPY-MUFRIFMGSA-N 0 0 426.903 6.495 40 30 IKEBRN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1ccc(Cl)c(Cl)c1 ZINC000409306382 557058844 /nfs/dbraw/zinc/05/88/44/557058844.db2.gz QADRNOZTBAUFAX-UHFFFAOYSA-N 0 0 434.282 5.999 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408595726 557059007 /nfs/dbraw/zinc/05/90/07/557059007.db2.gz MPRVZEQCVMKLSL-FOKLQQMPSA-N 0 0 447.741 6.269 40 30 IKEBRN O=c1c2cc(Br)ccc2nc(C2CCCCC2)n1N=Cc1c[nH]c2ccccc12 ZINC000409320206 557059040 /nfs/dbraw/zinc/05/90/40/557059040.db2.gz PNKQJQVECDPHGI-UHFFFAOYSA-N 0 0 449.352 5.570 40 30 IKEBRN O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1ccc(O)c(Cl)c1 ZINC000409307170 557059141 /nfs/dbraw/zinc/05/91/41/557059141.db2.gz RLEFVBZSYSBMMQ-UHFFFAOYSA-N 0 0 443.812 5.324 40 30 IKEBRN COc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc(C(C)C)c(OC)cc2C)c1 ZINC000409307061 557059179 /nfs/dbraw/zinc/05/91/79/557059179.db2.gz QWAMUJAHNVKCCC-UHFFFAOYSA-N 0 0 441.531 5.395 40 30 IKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)cc1F ZINC000408595959 557059546 /nfs/dbraw/zinc/05/95/46/557059546.db2.gz YEHJEMBEJYQLAM-FOKLQQMPSA-N 0 0 446.276 5.455 40 30 IKEBRN O=C1c2ccccc2S/C1=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000409323710 557059813 /nfs/dbraw/zinc/05/98/13/557059813.db2.gz PHBFSGYNIKCPSY-CIAFOILYSA-N 0 0 441.321 6.497 40 30 IKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/OCc2ccccc2C#N)cc1 ZINC000408596756 557060063 /nfs/dbraw/zinc/06/00/63/557060063.db2.gz UFDJMEOMQOEZHQ-VULFUBBASA-N 0 0 435.321 5.759 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2/S/C(=N/c3ccc(F)cc3)N(CC)C2=O)cc1OC ZINC000409232924 557061335 /nfs/dbraw/zinc/06/13/35/557061335.db2.gz SYRKRCQMBNRUBJ-KZWMQRDFSA-N 0 0 444.915 5.124 40 30 IKEBRN 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IKEBRN Cc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)cc1 ZINC000100138465 557111128 /nfs/dbraw/zinc/11/11/28/557111128.db2.gz IAYIEHOUNBKVNE-RUMWWMSVSA-N 0 0 446.981 8.524 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Cl)c([N+](=O)[O-])c3)c2C)cc1 ZINC000100212047 557111600 /nfs/dbraw/zinc/11/16/00/557111600.db2.gz KSUZQKLIZPJSHD-ZMOGYAJESA-N 0 0 425.872 5.583 40 30 IKEBRN Cc1cc(/C=N/c2ccc(I)c(C)c2)c(C)n1-c1cc(C)cc(C)c1 ZINC000100116640 557111822 /nfs/dbraw/zinc/11/18/22/557111822.db2.gz WOKZNWBEWUIFCA-ZMOGYAJESA-N 0 0 442.344 6.375 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000100224465 557112313 /nfs/dbraw/zinc/11/23/13/557112313.db2.gz APRWWJYHZJFGBP-CVKSISIWSA-N 0 0 435.932 6.923 40 30 IKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccc(Cl)cc1Cl ZINC000409330641 557112310 /nfs/dbraw/zinc/11/23/10/557112310.db2.gz CBQSPMVLLVSAFI-UHFFFAOYSA-N 0 0 439.140 5.301 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Br)cc2)cc1)Nc1cccc(Cl)c1 ZINC000100404212 557113027 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CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(Br)c(C)c1 ZINC000408709188 557129371 /nfs/dbraw/zinc/12/93/71/557129371.db2.gz PJDVDOHCZMRBBA-UHFFFAOYSA-N 0 0 425.411 5.733 40 30 IKEBRN CCCCCCCCCCCCNC(=O)C(=O)Nc1ccc(C)cc1Br ZINC000408708929 557129391 /nfs/dbraw/zinc/12/93/91/557129391.db2.gz NIUQMAHUHBKHSA-UHFFFAOYSA-N 0 0 425.411 5.733 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1OCC ZINC000409350097 557129427 /nfs/dbraw/zinc/12/94/27/557129427.db2.gz XEHYIJZMFDULIF-STZFKDTASA-N 0 0 425.575 5.673 40 30 IKEBRN Oc1ccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@H]3c2ccccc2)cc1 ZINC000408718643 557132955 /nfs/dbraw/zinc/13/29/55/557132955.db2.gz NXRRQNGEFOKMOH-KDSGZEPYSA-N 0 0 444.578 7.020 40 30 IKEBRN Oc1ccc(/C=N/c2cc3c4c(c2)[C@H](c2ccccc2)CCN4CC[C@@H]3c2ccccc2)cc1 ZINC000408718645 557132961 /nfs/dbraw/zinc/13/29/61/557132961.db2.gz NXRRQNGEFOKMOH-VHPZECMTSA-N 0 0 444.578 7.020 40 30 IKEBRN C=CCN1C(=O)C(=CC2=CC(=NNc3cccc4ccccc43)C=CC2=O)SC1=S ZINC000408724363 557134139 /nfs/dbraw/zinc/13/41/39/557134139.db2.gz DAAFNEGQBKGRRF-YCBMQGOFSA-N 0 0 431.542 6.348 40 30 IKEBRN COc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn32)c(OC)c1 ZINC000408720995 557134801 /nfs/dbraw/zinc/13/48/01/557134801.db2.gz HVGASBLJIJTQLT-SSDVNMTOSA-N 0 0 426.270 5.125 40 30 IKEBRN CCCCCCCCC(=O)N1C(=O)c2ccccc2O[C@@H]1c1ccc(Br)cc1 ZINC000003031173 557135830 /nfs/dbraw/zinc/13/58/30/557135830.db2.gz URBRZOUUAHDLGU-HSZRJFAPSA-N 0 0 444.369 6.260 40 30 IKEBRN CCOc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000408721995 557136210 /nfs/dbraw/zinc/13/62/10/557136210.db2.gz CAYDEXKEUBRWGI-PCLIKHOPSA-N 0 0 429.501 6.535 40 30 IKEBRN CCCCOc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 ZINC000408722920 557136394 /nfs/dbraw/zinc/13/63/94/557136394.db2.gz OJPYFKGDZVVBIX-TURZUDJPSA-N 0 0 426.585 7.715 40 30 IKEBRN COc1ccc(-c2oc(/N=C/c3ccc(C#N)cc3)c(C#N)c2-c2cccc(OC)c2)cc1 ZINC000408722341 557136446 /nfs/dbraw/zinc/13/64/46/557136446.db2.gz HKZLFFHBKOSIIT-OCSSWDANSA-N 0 0 433.467 6.125 40 30 IKEBRN CCc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408723252 557136758 /nfs/dbraw/zinc/13/67/58/557136758.db2.gz SCALEWXUFGGDSV-CVKSISIWSA-N 0 0 447.947 7.352 40 30 IKEBRN COc1cccc(/C=N/c2oc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)c2C#N)c1OC ZINC000409359385 557137360 /nfs/dbraw/zinc/13/73/60/557137360.db2.gz OCIWMTLCUPLBKZ-OCSSWDANSA-N 0 0 436.511 6.870 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1OC ZINC000103151301 557137522 /nfs/dbraw/zinc/13/75/22/557137522.db2.gz RBRZIZZMGSUBAI-BVGVAWRYSA-N 0 0 444.556 6.129 40 30 IKEBRN C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cc(F)ccc1C ZINC000409362809 557137541 /nfs/dbraw/zinc/13/75/41/557137541.db2.gz SXUDUYVXUBSOOG-UHFFFAOYSA-N 0 0 442.585 5.076 40 30 IKEBRN N#Cc1ccccc1-c1ccc(C=C2SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)o1 ZINC000409366361 557137948 /nfs/dbraw/zinc/13/79/48/557137948.db2.gz QSNDEPLSDQCVMC-SRZZPIQSSA-N 0 0 448.887 5.391 40 30 IKEBRN Cc1ccc(NC(=O)CO/N=C\c2cc(Cl)ccc2OCc2ccccc2F)cc1 ZINC000409369546 557138225 /nfs/dbraw/zinc/13/82/25/557138225.db2.gz CRUYSLXVJMFTCC-ZMFRSBBQSA-N 0 0 426.875 5.356 40 30 IKEBRN Cc1ccc(NC(=O)CO/N=C\c2cc(Cl)ccc2OCc2cccc(F)c2)cc1 ZINC000409370794 557138436 /nfs/dbraw/zinc/13/84/36/557138436.db2.gz UGUMGVHLZRYHPK-ZMFRSBBQSA-N 0 0 426.875 5.356 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)S/C1=N\c1ccccc1 ZINC000408730431 557138979 /nfs/dbraw/zinc/13/89/79/557138979.db2.gz QUPKHGHOQNMDPL-NVZLDUMVSA-N 0 0 431.473 5.645 40 30 IKEBRN CCN(CC)c1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000408730643 557139400 /nfs/dbraw/zinc/13/94/00/557139400.db2.gz SSBSVXMRIWWAEH-ZXVVBBHZSA-N 0 0 447.604 5.030 40 30 IKEBRN CCCCOc1ccc(/C=N/c2ccc(S(=O)(=O)N3CCc4ccccc4C3)cc2)cc1 ZINC000408730919 557139415 /nfs/dbraw/zinc/13/94/15/557139415.db2.gz VXARUSKQGHJIMT-ZXVVBBHZSA-N 0 0 448.588 5.363 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3ccc(Br)cc3)c2)cc1C ZINC000409380577 557140597 /nfs/dbraw/zinc/14/05/97/557140597.db2.gz NUSMGZLOVHFLAZ-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN CCOc1ccccc1/N=C\c1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 ZINC000409380120 557140627 /nfs/dbraw/zinc/14/06/27/557140627.db2.gz ILTLWPHXWQFOEJ-WGARJPEWSA-N 0 0 426.875 5.646 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N/c2ccc(Oc3cccc(Cl)c3)cc2)cc1OC ZINC000409381056 557140675 /nfs/dbraw/zinc/14/06/75/557140675.db2.gz RGZRHQUIANVKEK-WJGWSCHNSA-N 0 0 444.358 7.722 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N\c3ccc(Cl)c(Cl)c3)c2)cc1C ZINC000409379477 557140712 /nfs/dbraw/zinc/14/07/12/557140712.db2.gz YCHQVOIWDKLEQE-ZMFRSBBQSA-N 0 0 427.331 6.378 40 30 IKEBRN CC[C@@H](C)Oc1c(Cl)cc(/C=N\c2cccc(I)c2)cc1OC ZINC000409383383 557140894 /nfs/dbraw/zinc/14/08/94/557140894.db2.gz XDUHABAALGJOOI-UORWWSPDSA-N 0 0 443.712 5.881 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/c3cccc(Br)c3)c2)cc1C ZINC000409381550 557140901 /nfs/dbraw/zinc/14/09/01/557140901.db2.gz GJOPLSWPEGQJHY-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN N#Cc1c(/N=C/c2cc3c(cc2Cl)OCO3)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408728044 557141050 /nfs/dbraw/zinc/14/10/50/557141050.db2.gz HNUMCMWTKZMQNE-CCVNUDIWSA-N 0 0 426.859 6.618 40 30 IKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1[N+](=O)[O-] ZINC000103980623 557141125 /nfs/dbraw/zinc/14/11/25/557141125.db2.gz RDYLLZLRSOEKKY-YSMPRRRNSA-N 0 0 449.532 5.224 40 30 IKEBRN O=S(=O)(c1ccc(/N=C/c2ccccc2C(F)(F)F)cc1)N1CCc2ccccc2C1 ZINC000408728931 557141403 /nfs/dbraw/zinc/14/14/03/557141403.db2.gz AVNMSZPKICOBTN-JFLMPSFJSA-N 0 0 444.478 5.203 40 30 IKEBRN Cc1cc2c(cc1C)CN(c1ccc(C(=O)/C=C/c3ccc(Br)cc3)cc1)C2 ZINC000408733152 557141477 /nfs/dbraw/zinc/14/14/77/557141477.db2.gz WLPQQQGQDNTANT-LFYBBSHMSA-N 0 0 432.361 6.482 40 30 IKEBRN CCOc1ccc(/N=C/c2ccccc2OC(=O)c2sc3ccccc3c2Cl)cc1 ZINC000408734236 557141781 /nfs/dbraw/zinc/14/17/81/557141781.db2.gz KMJLOJGXUXVONS-CVKSISIWSA-N 0 0 435.932 6.923 40 30 IKEBRN CCOc1ccccc1/N=C/c1cccc(OC(=O)c2sc3ccccc3c2Cl)c1 ZINC000408734360 557141844 /nfs/dbraw/zinc/14/18/44/557141844.db2.gz YMDRXCRKQAKTNW-CVKSISIWSA-N 0 0 435.932 6.923 40 30 IKEBRN C=CCN1c2ccccc2/C(=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)C1=O ZINC000409390997 557142603 /nfs/dbraw/zinc/14/26/03/557142603.db2.gz XAZMZJQYTKOEQL-WEMUOSSPSA-N 0 0 447.604 5.343 40 30 IKEBRN Clc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000408733475 557142996 /nfs/dbraw/zinc/14/29/96/557142996.db2.gz YBTXUYPSGBFMOK-NJZRLIGZSA-N 0 0 432.954 8.215 40 30 IKEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc(Cl)c1OCC ZINC000409401075 557143207 /nfs/dbraw/zinc/14/32/07/557143207.db2.gz BZSLTERIPOOXOE-UHFFFAOYSA-N 0 0 447.922 5.397 40 30 IKEBRN Cc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408733840 557143320 /nfs/dbraw/zinc/14/33/20/557143320.db2.gz AXNKINSAWNIKMM-UHFFFAOYSA-N 0 0 434.590 5.900 40 30 IKEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)ccc1OC(C)(C)C ZINC000409402383 557144340 /nfs/dbraw/zinc/14/43/40/557144340.db2.gz HOKMOYBOKJJAMG-UHFFFAOYSA-N 0 0 441.531 5.522 40 30 IKEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)c1OC(C)C ZINC000409405115 557144371 /nfs/dbraw/zinc/14/43/71/557144371.db2.gz SSTXNEYPKDALCN-UHFFFAOYSA-N 0 0 447.922 5.395 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c[nH]c2ccc(Br)cc12 ZINC000409405225 557144402 /nfs/dbraw/zinc/14/44/02/557144402.db2.gz NOWBKMGAULZSRT-UHFFFAOYSA-N 0 0 443.304 5.190 40 30 IKEBRN Cc1cccc(COc2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)cc2)c1 ZINC000409403153 557144438 /nfs/dbraw/zinc/14/44/38/557144438.db2.gz KUHGKGNMFHIPJK-UHFFFAOYSA-N 0 0 445.522 5.833 40 30 IKEBRN CCOc1ccc(-c2ccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)o2)cc1 ZINC000409403598 557144620 /nfs/dbraw/zinc/14/46/20/557144620.db2.gz IMRGTUJYCJZGMQ-UHFFFAOYSA-N 0 0 435.483 5.604 40 30 IKEBRN Cc1cccc(COc2cccc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)c2)c1 ZINC000409403406 557144636 /nfs/dbraw/zinc/14/46/36/557144636.db2.gz LQXGUIFTMNWKFA-UHFFFAOYSA-N 0 0 445.522 5.833 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O ZINC000408737523 557144774 /nfs/dbraw/zinc/14/47/74/557144774.db2.gz CQQGAEDHYWGTLH-HMAPJEAMSA-N 0 0 436.964 6.482 40 30 IKEBRN Cc1cc(/C=N/c2ccc(I)c(C)c2)c(C)n1-c1ccc(F)cc1 ZINC000408737479 557144779 /nfs/dbraw/zinc/14/47/79/557144779.db2.gz BIEQFYDARPDVHG-FSJBWODESA-N 0 0 432.280 5.897 40 30 IKEBRN CC[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cccc1OC ZINC000409405726 557144893 /nfs/dbraw/zinc/14/48/93/557144893.db2.gz VATFIZQQWKPUHP-GOSISDBHSA-N 0 0 427.504 5.132 40 30 IKEBRN CC(C)(C)Oc1c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cccc1[N+](=O)[O-] ZINC000409406470 557144939 /nfs/dbraw/zinc/14/49/39/557144939.db2.gz QSTYNZJQNQWGNW-UHFFFAOYSA-N 0 0 442.475 5.031 40 30 IKEBRN COc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Br ZINC000408737648 557145053 /nfs/dbraw/zinc/14/50/53/557145053.db2.gz FSMYXUUPYXSMGA-SXGWCWSVSA-N 0 0 437.746 5.311 40 30 IKEBRN COC(=O)c1cc(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)ccc1Cl ZINC000408738799 557147942 /nfs/dbraw/zinc/14/79/42/557147942.db2.gz OXHGAEIGPVRDEB-WYMPLXKRSA-N 0 0 445.744 6.047 40 30 IKEBRN CCCCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3C)NC2=O)cc1OC ZINC000408739032 557148357 /nfs/dbraw/zinc/14/83/57/557148357.db2.gz RSLGFORNMNBLCY-MOSHPQCFSA-N 0 0 430.957 5.728 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)S2)cc1Cl ZINC000408739015 557148432 /nfs/dbraw/zinc/14/84/32/557148432.db2.gz RIGLJHDSAOGIGO-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN Cc1cc(C=NC2C=C[C@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740695 557149129 /nfs/dbraw/zinc/14/91/29/557149129.db2.gz LUTAOULZXCBFKV-AYJIWNBDSA-N 0 0 449.554 5.344 40 30 IKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2C)cc1 ZINC000408743248 557150825 /nfs/dbraw/zinc/15/08/25/557150825.db2.gz RSBQQYBRKAXHJB-HYARGMPZSA-N 0 0 445.544 5.081 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)S2)cc1 ZINC000408744300 557151462 /nfs/dbraw/zinc/15/14/62/557151462.db2.gz ZKKDFOYRHMFDRU-HZHRSRAPSA-N 0 0 431.561 5.693 40 30 IKEBRN C#CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1OC ZINC000106698769 557156289 /nfs/dbraw/zinc/15/62/89/557156289.db2.gz PDYYKFBYWHBAOD-GRSHGNNSSA-N 0 0 448.327 5.251 40 30 IKEBRN CC1=CC(=CN=Nc2ccc([N+](=O)[O-])cn2)C(C)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000408749171 557156301 /nfs/dbraw/zinc/15/63/01/557156301.db2.gz FCWZTSWXWSUGRV-NAADSQMESA-N 0 0 440.503 6.027 40 30 IKEBRN N#Cc1ccccc1CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1 ZINC000408750406 557159039 /nfs/dbraw/zinc/15/90/39/557159039.db2.gz MKFJTNKWFSWUHK-UHFFFAOYSA-N 0 0 427.510 5.261 40 30 IKEBRN Cc1ccc(COc2ccc(CN=Nc3ccc([N+](=O)[O-])cn3)cc2Br)cc1 ZINC000408750776 557159404 /nfs/dbraw/zinc/15/94/04/557159404.db2.gz ROPJZIWBZFCYLT-KSEXSDGBSA-N 0 0 441.285 5.086 40 30 IKEBRN C=CCc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(OCC)c1OCc1ccccc1 ZINC000408750695 557159446 /nfs/dbraw/zinc/15/94/46/557159446.db2.gz QMAQQHBEMXOTNF-YSMPRRRNSA-N 0 0 432.480 5.142 40 30 IKEBRN CC(C)(C)c1cc(/C=C2/SC(=Nc3ccc(Cl)cc3)NC2=O)cc(C(C)(C)C)c1O ZINC000408751847 557160097 /nfs/dbraw/zinc/16/00/97/557160097.db2.gz CWNXEWFOYHDKJF-CPNJWEJPSA-N 0 0 443.012 6.532 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3ccccc3Cl)o2)c(Br)c1 ZINC000008811477 557162145 /nfs/dbraw/zinc/16/21/45/557162145.db2.gz SLPIAHVQOOZELT-SSDVNMTOSA-N 0 0 434.677 5.394 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)ccc4C)c3C)S2)cc1 ZINC000408754320 557165867 /nfs/dbraw/zinc/16/58/67/557165867.db2.gz QETNLZAJZWFHOZ-IWIPYMOSSA-N 0 0 429.589 6.165 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F ZINC000107740388 557167479 /nfs/dbraw/zinc/16/74/79/557167479.db2.gz CQHPQVWLDHCEAE-UHFFFAOYSA-N 0 0 437.327 5.308 40 30 IKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3cc(Cl)ccc3O)S2)cc(C)c1Br ZINC000408757014 557169399 /nfs/dbraw/zinc/16/93/99/557169399.db2.gz YYIURSZXNSZWEQ-NVNXTCNLSA-N 0 0 437.746 5.317 40 30 IKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008821086 557173935 /nfs/dbraw/zinc/17/39/35/557173935.db2.gz XBAIZKHLPRQVJL-WOJGMQOQSA-N 0 0 425.853 5.400 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)OC)ccc4C)o3)S2)cc1 ZINC000408759776 557177965 /nfs/dbraw/zinc/17/79/65/557177965.db2.gz LKIFAPXFQKAVPE-HMAPJEAMSA-N 0 0 446.528 5.496 40 30 IKEBRN Cc1cc(N=C2NC(=O)/C(=C/c3ccc(C(C)C)cc3)S2)cc(C)c1Br ZINC000408760659 557178218 /nfs/dbraw/zinc/17/82/18/557178218.db2.gz CMPDKVJJHNUTDR-WQRHYEAKSA-N 0 0 429.383 6.081 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccccc4Cl)c3C)S2)cc1 ZINC000408764545 557182423 /nfs/dbraw/zinc/18/24/23/557182423.db2.gz UNSSLKVKZADRTK-HMAPJEAMSA-N 0 0 435.980 6.202 40 30 IKEBRN CC/N=C1\S/C(=C\c2c(OCc3ccccc3C#N)ccc3ccccc32)C(=O)N1CC ZINC000009259655 557184206 /nfs/dbraw/zinc/18/42/06/557184206.db2.gz OUIYCYOKXUBCCD-AHHHDHMGSA-N 0 0 441.556 5.603 40 30 IKEBRN COC(=O)c1ccc(C)c(/N=C/c2cc(C)n(-c3ccc(Br)cc3)c2C)c1 ZINC000408767496 557189250 /nfs/dbraw/zinc/18/92/50/557189250.db2.gz LKNIREUAUHSHDZ-ZMOGYAJESA-N 0 0 425.326 5.702 40 30 IKEBRN CC(=O)Oc1cccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1 ZINC000408770803 557195232 /nfs/dbraw/zinc/19/52/32/557195232.db2.gz ABLUWHSBIMOZLP-YUMHPJSZSA-N 0 0 432.545 5.233 40 30 IKEBRN O=S(=O)(NCc1ccc(/C=N/c2ccc(Cl)c(C(F)(F)F)c2)o1)c1ccccc1 ZINC000408773805 557196428 /nfs/dbraw/zinc/19/64/28/557196428.db2.gz JFPJUUONTCBAGE-BHGWPJFGSA-N 0 0 442.846 5.181 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)S2)c1C ZINC000408777446 557200101 /nfs/dbraw/zinc/20/01/01/557200101.db2.gz ZPPQOXODHKVIOO-NDENLUEZSA-N 0 0 446.488 5.291 40 30 IKEBRN CCOc1ccccc1/N=C\c1cc(C)n(-c2ccc(I)cc2)c1C ZINC000408776595 557200836 /nfs/dbraw/zinc/20/08/36/557200836.db2.gz WQSDCZDTOBEARR-UCQKPKSFSA-N 0 0 444.316 5.848 40 30 IKEBRN CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccccc3C#N)S2)cc1 ZINC000408776569 557200916 /nfs/dbraw/zinc/20/09/16/557200916.db2.gz VZWKDFXKHCAXML-RISWYLRJSA-N 0 0 441.556 5.299 40 30 IKEBRN Cc1cc(/C=N/c2ccc(Nc3ccccc3)cc2)c(C)n1-c1ccc(Br)cc1 ZINC000408779644 557201533 /nfs/dbraw/zinc/20/15/33/557201533.db2.gz GVURYOQVRNOYFM-WPWMEQJKSA-N 0 0 444.376 7.351 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3C)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408782559 557205592 /nfs/dbraw/zinc/20/55/92/557205592.db2.gz KDHWVWHCEMHUCP-MTJSOVHGSA-N 0 0 432.505 5.202 40 30 IKEBRN O=C(Nc1ccc(/N=C/c2cc(Cc3ccccc3)ccc2O)cc1)c1cccc(Cl)c1 ZINC000038179860 557205705 /nfs/dbraw/zinc/20/57/05/557205705.db2.gz MNZWLMJFIRTDIZ-RDRPBHBLSA-N 0 0 440.930 6.639 40 30 IKEBRN O=S(=O)(NCc1ccc(/C=N/c2ccc(Cl)c(Cl)c2)o1)c1ccc(Cl)cc1 ZINC000408783187 557206659 /nfs/dbraw/zinc/20/66/59/557206659.db2.gz LUMQLIYPAZDTQB-LSHDLFTRSA-N 0 0 443.739 5.469 40 30 IKEBRN Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2C#N)cc1 ZINC000408806916 557218425 /nfs/dbraw/zinc/21/84/25/557218425.db2.gz BOBNQJSLIKVVCR-QRVIBDJDSA-N 0 0 443.528 5.211 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccccc1F ZINC000408808267 557219127 /nfs/dbraw/zinc/21/91/27/557219127.db2.gz DTJVTCOWROSIFE-MOSHPQCFSA-N 0 0 427.497 5.198 40 30 IKEBRN N#Cc1ccccc1Cn1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408808269 557219438 /nfs/dbraw/zinc/21/94/38/557219438.db2.gz DTNMKLVSVHKBHP-OYKKKHCWSA-N 0 0 435.508 5.802 40 30 IKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)SC1Nc1ccccc1 ZINC000408809177 557220864 /nfs/dbraw/zinc/22/08/64/557220864.db2.gz QXCVSJPRFOQMCM-GXEQYHJJSA-N 0 0 432.569 5.643 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)S2)cc1 ZINC000408811261 557222043 /nfs/dbraw/zinc/22/20/43/557222043.db2.gz AQKDKKRILJVPFC-UYRXBGFRSA-N 0 0 438.350 5.440 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cccc(Cl)c2C)NC1=O ZINC000408811782 557222293 /nfs/dbraw/zinc/22/22/93/557222293.db2.gz AMTSZTACWPISGF-HMAPJEAMSA-N 0 0 432.932 5.705 40 30 IKEBRN CC(C)(C)c1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000408813083 557222982 /nfs/dbraw/zinc/22/29/82/557222982.db2.gz DWWQAMAFWKAJNP-CFRMEGHHSA-N 0 0 448.813 7.895 40 30 IKEBRN C=CCn1c(C)c(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c2ccccc21 ZINC000408813403 557223585 /nfs/dbraw/zinc/22/35/85/557223585.db2.gz PLLZFIIANBQZPN-DSTPSKMHSA-N 0 0 449.579 6.944 40 30 IKEBRN O=C1C[C@@H](c2ccccc2)CC2=C1C(c1ccco1)C1=C(C[C@H](c3ccccc3)CC1=O)N2 ZINC000022500523 557224259 /nfs/dbraw/zinc/22/42/59/557224259.db2.gz ZOMAHBYSHWQBDZ-SFTDATJTSA-N 0 0 435.523 5.768 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3)NC2=O)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000408814026 557227115 /nfs/dbraw/zinc/22/71/15/557227115.db2.gz PMKKVPLWJAAXDP-JAIQZWGSSA-N 0 0 425.916 5.778 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccccc4C#N)c4ccccc34)S2)cc1 ZINC000408815332 557228855 /nfs/dbraw/zinc/22/88/55/557228855.db2.gz RBQHEZHXFATEBQ-QFEZKATASA-N 0 0 448.551 5.761 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000408816959 557230396 /nfs/dbraw/zinc/23/03/96/557230396.db2.gz KJZSIOSNXCHAHW-UCQKPKSFSA-N 0 0 443.959 6.235 40 30 IKEBRN O=C1c2ccccc2S/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc21 ZINC000408816141 557230704 /nfs/dbraw/zinc/23/07/04/557230704.db2.gz KOVLDWFULVKCSI-MYYYXRDXSA-N 0 0 428.940 7.402 40 30 IKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 ZINC000408819812 557233356 /nfs/dbraw/zinc/23/33/56/557233356.db2.gz RYTHKDIJGOMQJT-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000408820472 557234302 /nfs/dbraw/zinc/23/43/02/557234302.db2.gz XXNSLLHKYBVBIQ-MOSHPQCFSA-N 0 0 443.952 5.712 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(C)c(C)c2)NC1=O ZINC000408820598 557234471 /nfs/dbraw/zinc/23/44/71/557234471.db2.gz XDVMQRNRSKNRGG-UNOMPAQXSA-N 0 0 443.366 5.522 40 30 IKEBRN N#Cc1ccccc1Cn1cc(/C=N/N(c2ccccc2)c2ccccc2)c2ccccc21 ZINC000408821062 557235223 /nfs/dbraw/zinc/23/52/23/557235223.db2.gz BXVGMCVYMSOJDL-AJBULDERSA-N 0 0 426.523 6.733 40 30 IKEBRN COc1ccc(-c2oc(/N=C/c3ccccc3OC)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000111916040 557236045 /nfs/dbraw/zinc/23/60/45/557236045.db2.gz UZSXXPDDKXDTAH-STBIYBPSSA-N 0 0 438.483 6.262 40 30 IKEBRN C=C1S/C(=N\c2c(C)cccc2C)N(c2nc(Cl)nc(Cl)n2)C12CCCCC2 ZINC000100010436 557237231 /nfs/dbraw/zinc/23/72/31/557237231.db2.gz ADSWCQFUPZGLJU-NMWGTECJSA-N 0 0 434.396 6.253 40 30 IKEBRN CCCCCCOc1ccccc1CN=Nc1nc(-c2ccc(Cl)cc2Cl)cs1 ZINC000011992772 557238231 /nfs/dbraw/zinc/23/82/31/557238231.db2.gz BLGRMACAGROCBR-AFUMVMLFSA-N 0 0 448.419 7.522 40 30 IKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)nnc1C(C)C ZINC000013995510 557240766 /nfs/dbraw/zinc/24/07/66/557240766.db2.gz NIBGSNZWNYQPNC-CQSZACIVSA-N 0 0 445.658 5.236 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000408825934 557241370 /nfs/dbraw/zinc/24/13/70/557241370.db2.gz SCQDCKJTQBVOJF-QRVIBDJDSA-N 0 0 443.959 6.235 40 30 IKEBRN CC(C)(C)C1=C/C(=N/C(=O)c2ccccc2)C(Cl)(Cl)[C@](Cl)(C(C)(C)C)C1=O ZINC000026787261 557248848 /nfs/dbraw/zinc/24/88/48/557248848.db2.gz OUFGOZOIEYWLPH-UQEONJGVSA-N 0 0 428.787 6.021 40 30 IKEBRN Cc1ccc(C(=O)/N=C2/C=C(C(C)(C)C)C(=O)[C@@](Cl)(C(C)(C)C)C2(Cl)Cl)cc1 ZINC000026787265 557248906 /nfs/dbraw/zinc/24/89/06/557248906.db2.gz UPSFFMXTMBQMQY-YQUKCCFRSA-N 0 0 442.814 6.329 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/NCc2ccc(Cl)cc2)cc1OCC ZINC000010119116 557251419 /nfs/dbraw/zinc/25/14/19/557251419.db2.gz MAJJZWLJHBLGAO-YDZHTSKRSA-N 0 0 425.754 5.414 40 30 IKEBRN Cc1cc(/N=C/[C@@H](C#N)c2ccc(/C(C#N)=N/c3ccc(N(C)C)cc3)cc2)cc(C)c1N=O ZINC000100366071 557258987 /nfs/dbraw/zinc/25/89/87/557258987.db2.gz ICDYXACODOPILD-BGPXMMMASA-N 0 0 448.530 6.421 40 30 IKEBRN CCCCc1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2F)cc1 ZINC000100384411 557259387 /nfs/dbraw/zinc/25/93/87/557259387.db2.gz VQGBZYSUFRXWCL-RWPZCVJISA-N 0 0 430.350 7.805 40 30 IKEBRN N#Cc1c(/N=C\c2ccc(Cl)c(Cl)c2)sc(-c2ccccc2)c1-c1ccccc1 ZINC000100391485 557259393 /nfs/dbraw/zinc/25/93/93/557259393.db2.gz ISOPHEIAMRARBG-MBTHVWNTSA-N 0 0 433.363 8.011 40 30 IKEBRN COc1cccc2c(/C=C3/SC(=Nc4ccccn4)NC3=O)c(-c3ccccc3)[nH]c21 ZINC000408840192 557261583 /nfs/dbraw/zinc/26/15/83/557261583.db2.gz BUDPCQLKAAXSCF-XMHGGMMESA-N 0 0 426.501 5.130 40 30 IKEBRN Cc1ccc(N=CC=C(Nc2ccc(C)c(Cl)c2)c2ccc(Cl)cc2)cc1Cl ZINC000100661668 557268694 /nfs/dbraw/zinc/26/86/94/557268694.db2.gz UOQZPAZZODYLAG-AFMKNOHBSA-N 0 0 429.778 8.119 40 30 IKEBRN COc1ccc(-n2cccc2/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000408848451 557271252 /nfs/dbraw/zinc/27/12/52/557271252.db2.gz ZBNYKRXTUQHCNM-KOEQRZSOSA-N 0 0 429.501 6.296 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=N/c2ccc(Br)c(Cl)c2)c1C ZINC000408847935 557271971 /nfs/dbraw/zinc/27/19/71/557271971.db2.gz OKGPATMQRMPIMH-DHRITJCHSA-N 0 0 429.789 7.131 40 30 IKEBRN CCCCCCCCSCCSCCSCCSCCCCCCCC ZINC000100925693 557278933 /nfs/dbraw/zinc/27/89/33/557278933.db2.gz ZRCWMRCELMQJMO-UHFFFAOYSA-N 0 0 438.878 8.640 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccc(C)cc2)cc1 ZINC000100935590 557279170 /nfs/dbraw/zinc/27/91/70/557279170.db2.gz LVRAFANJAQSBKR-YWROOUKNSA-N 0 0 429.501 6.020 40 30 IKEBRN COc1ccccc1NC(=O)c1sc(NC(=O)Cc2ccc(Cl)cc2)c(C#N)c1C ZINC000000838404 557279670 /nfs/dbraw/zinc/27/96/70/557279670.db2.gz FOXLOGZUEFSKBR-UHFFFAOYSA-N 0 0 439.924 5.024 40 30 IKEBRN CCCCCCCCCCS(=O)(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000100959458 557279979 /nfs/dbraw/zinc/27/99/79/557279979.db2.gz SSHDJSNNRZLSLN-UHFFFAOYSA-N 0 0 436.017 6.453 40 30 IKEBRN CCCCCCCCCCCCS(=O)(=O)Nc1ccccc1C(=O)c1ccccc1 ZINC000100959460 557280040 /nfs/dbraw/zinc/28/00/40/557280040.db2.gz XPYRXDOZXUDDDY-UHFFFAOYSA-N 0 0 429.626 6.580 40 30 IKEBRN CCCCCCCSc1nnc2c(n1)O[C@H](c1ccccc1OC)Nc1ccccc1-2 ZINC000101007382 557281030 /nfs/dbraw/zinc/28/10/30/557281030.db2.gz HAUGGIOPWFPKPH-JOCHJYFZSA-N 0 0 436.581 6.113 40 30 IKEBRN COc1cccc(/C=C2\S/C(=N\c3cccc(C)c3)N(c3cccc(C)c3)C2=O)c1OC ZINC000101015680 557281440 /nfs/dbraw/zinc/28/14/40/557281440.db2.gz JAXRSSMZBUXJTA-JXKYSLRESA-N 0 0 444.556 6.129 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4o3)sc2C1 ZINC000014067250 557292901 /nfs/dbraw/zinc/29/29/01/557292901.db2.gz ILEYXPKEPBMTBQ-CYBMUJFWSA-N 0 0 425.579 5.643 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4s3)sc2C1 ZINC000014067160 557293237 /nfs/dbraw/zinc/29/32/37/557293237.db2.gz GTWRDYRVVYGAOI-CYBMUJFWSA-N 0 0 441.647 6.111 40 30 IKEBRN COc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 ZINC000101764685 557295476 /nfs/dbraw/zinc/29/54/76/557295476.db2.gz HUYXGJWAGCRFOS-LPVSAIRDSA-N 0 0 426.516 6.241 40 30 IKEBRN CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 ZINC000101764802 557295493 /nfs/dbraw/zinc/29/54/93/557295493.db2.gz RXJSTNSLRSRQDM-XPMRTLDXSA-N 0 0 440.543 6.631 40 30 IKEBRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000014088295 557301167 /nfs/dbraw/zinc/30/11/67/557301167.db2.gz FSEOEGCLSYZKMC-UHFFFAOYSA-N 0 0 449.363 5.081 40 30 IKEBRN c1ccc(/N=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)\C2=N/c2ccccc2)cc1 ZINC000102983278 557311591 /nfs/dbraw/zinc/31/15/91/557311591.db2.gz TXPDBMSODBCQAQ-IUPFWZBJSA-N 0 0 444.648 7.517 40 30 IKEBRN C(=N/c1ccc2c(c1)oc1ccccc12)\c1ccc(Sc2nnnn2-c2ccccc2)o1 ZINC000103602767 557316940 /nfs/dbraw/zinc/31/69/40/557316940.db2.gz KTGFLPYFSHMHSY-MFKUBSTISA-N 0 0 437.484 6.057 40 30 IKEBRN CCCCCCCCSCCCCCCCCCCCSCCCCCCCC ZINC000104134635 557321081 /nfs/dbraw/zinc/32/10/81/557321081.db2.gz MGSRDTFQTCTRPT-UHFFFAOYSA-N 0 0 444.879 10.685 40 30 IKEBRN Clc1ccccc1C(=N\c1ccccc1)/C(=N/c1ccccc1)c1ccccc1Cl ZINC000104138545 557321266 /nfs/dbraw/zinc/32/12/66/557321266.db2.gz FUDRBLXBROYOOS-XDHTVYJESA-N 0 0 429.350 7.935 40 30 IKEBRN CCCCCCCCCCCCCCCCOc1ccc(C2=NC[C@H](C)S2)c(C)c1 ZINC000104153813 557321374 /nfs/dbraw/zinc/32/13/74/557321374.db2.gz YRSQGRWPEDPNOO-DEOSSOPVSA-N 0 0 431.730 8.737 40 30 IKEBRN CC1=Nc2cc(Cl)c(Cl)cc2N(C)/C1=C\C1=C(Cl)C(=O)c2ccccc2C1=O ZINC000104200845 557321963 /nfs/dbraw/zinc/32/19/63/557321963.db2.gz XKFQSLPTTUGNBQ-IDUWFGFVSA-N 0 0 431.706 5.992 40 30 IKEBRN COc1ccccc1NC(=S)NN=CC1=CC(=NNc2ccccc2)C=C(OC)C1=O ZINC000104276413 557323606 /nfs/dbraw/zinc/32/36/06/557323606.db2.gz PKAMBVZMTDOTKZ-WRIATZMJSA-N 0 0 435.509 5.145 40 30 IKEBRN O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000104315942 557324835 /nfs/dbraw/zinc/32/48/35/557324835.db2.gz JLROVADVPPVTIW-JZTLMNBPSA-N 0 0 445.862 5.619 40 30 IKEBRN O=C(c1ccccc1)N1C(=O)N(c2ccccc2)C(=N\c2ccccc2)/C1=N/c1ccccc1 ZINC000104311523 557324944 /nfs/dbraw/zinc/32/49/44/557324944.db2.gz HXWMFCLWDJULMR-IDDWGTJGSA-N 0 0 444.494 6.229 40 30 IKEBRN CN(C)c1ccc(/C=C2\c3ccccc3-c3ccc(/N=C\c4ccc([N+](=O)[O-])cc4)cc32)cc1 ZINC000104335619 557325435 /nfs/dbraw/zinc/32/54/35/557325435.db2.gz SRKKDHXJUSSFLO-IFFAIQBCSA-N 0 0 445.522 6.981 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1OCC ZINC000104348823 557325483 /nfs/dbraw/zinc/32/54/83/557325483.db2.gz DAKUWECMAUHDSK-NFFVHWSESA-N 0 0 447.733 7.365 40 30 IKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1O ZINC000104364967 557325820 /nfs/dbraw/zinc/32/58/20/557325820.db2.gz WNACIALNKLPCHY-NFFVHWSESA-N 0 0 447.733 7.452 40 30 IKEBRN O=C1/C(=N\c2cccc(Cl)c2)C[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 ZINC000104358562 557325834 /nfs/dbraw/zinc/32/58/34/557325834.db2.gz OYOJRJRPTJFBDY-MLQDUXEUSA-N 0 0 429.734 6.898 40 30 IKEBRN C[C@@H]1/C(=N/O)CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000104376104 557326069 /nfs/dbraw/zinc/32/60/69/557326069.db2.gz ZISSOKXBDZMEDP-QRWKPCBNSA-N 0 0 441.744 8.718 40 30 IKEBRN Cc1cccc(/C=N\CC[C@H](S)CC[C@H](S)CC/N=C\c2cccc(C)c2O)c1O ZINC000104373834 557326145 /nfs/dbraw/zinc/32/61/45/557326145.db2.gz BOFCHUFJJKIXGD-ILYLVNGUSA-N 0 0 444.666 5.410 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/C(C)=C/c1ccccc1 ZINC000104376686 557326168 /nfs/dbraw/zinc/32/61/68/557326168.db2.gz AVFQNOCRESGCFT-VAGPPZDSSA-N 0 0 443.745 8.021 40 30 IKEBRN Clc1ccccc1/C=N/c1ccc2c(c1)Cc1cc(/N=C/c3ccccc3Cl)ccc1-2 ZINC000104391462 557326430 /nfs/dbraw/zinc/32/64/30/557326430.db2.gz XGFBVDAHUXIEKP-RVSCTIAXSA-N 0 0 441.361 8.066 40 30 IKEBRN CC1(C)CC(=O)C([C@@H]2c3cc(Cl)cc(Cl)c3OC3=C2C(=O)CC(C)(C)C3)C(=O)C1 ZINC000104804649 557328443 /nfs/dbraw/zinc/32/84/43/557328443.db2.gz XVEXKKMPOJWWGN-SFHVURJKSA-N 0 0 435.347 5.687 40 30 IKEBRN CCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000014271501 557332144 /nfs/dbraw/zinc/33/21/44/557332144.db2.gz WJQQYFKSQNZETR-OAHLLOKOSA-N 0 0 441.622 5.296 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)sc2C1 ZINC000014273300 557332315 /nfs/dbraw/zinc/33/23/15/557332315.db2.gz NQKPBUZATPMHHV-OAHLLOKOSA-N 0 0 449.532 6.191 40 30 IKEBRN CCOC(=O)N1C=C[C@@H]2C=C[C@H]1[C@@]1(C)C(=O)C(C)=C(c3ccccc3)[C@]21c1ccccc1 ZINC000045069564 557352719 /nfs/dbraw/zinc/35/27/19/557352719.db2.gz ZLEIAUDTJAGXJQ-GOUQPXDXSA-N 0 0 425.528 5.528 40 30 IKEBRN COc1ccc2c(c1)CC[C@@H]1[C@H]3CC[C@H](OS(=O)(=O)c4ccc(C)cc4)[C@@]3(C)CC[C@@H]21 ZINC000045069010 557352836 /nfs/dbraw/zinc/35/28/36/557352836.db2.gz ZJUABQDERHSYQM-BONDPLATSA-N 0 0 440.605 5.634 40 30 IKEBRN CCOC(=O)c1c(C)[nH]c(/C=C/C(=O)c2ccc(F)cc2)c1Cc1cccc(Cl)c1 ZINC000011690114 557369171 /nfs/dbraw/zinc/36/91/71/557369171.db2.gz KXLRDVMCMVELGY-VAWYXSNFSA-N 0 0 425.887 5.779 40 30 IKEBRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CC/C2=N\N=C\c1cccc(Cl)c1Cl ZINC000033957399 557382282 /nfs/dbraw/zinc/38/22/82/557382282.db2.gz KAZZDRRNZVOQBJ-FVPBKMDNSA-N 0 0 441.402 7.030 40 30 IKEBRN COc1ccc(C(=O)[C@H](C)C(C#Cc2ccccc2)[C@@H](C)C(=O)c2ccc(OC)cc2)cc1 ZINC000013633956 557383946 /nfs/dbraw/zinc/38/39/46/557383946.db2.gz HILOGFVLUZLEML-NHCUHLMSSA-N 0 0 440.539 5.710 40 30 IKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000013879694 557392935 /nfs/dbraw/zinc/39/29/35/557392935.db2.gz DAXGJPYOVFVTKL-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1Cl ZINC000013879683 557392939 /nfs/dbraw/zinc/39/29/39/557392939.db2.gz HTYLLULJEOHUOU-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000013879681 557392956 /nfs/dbraw/zinc/39/29/56/557392956.db2.gz QZIQGJBGHHMJQF-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN CC(C)c1ccc([C@@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000013816146 557394335 /nfs/dbraw/zinc/39/43/35/557394335.db2.gz OCQDUXCXSHGZPC-MGPUTAFESA-N 0 0 442.441 5.429 40 30 IKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000013841987 557394858 /nfs/dbraw/zinc/39/48/58/557394858.db2.gz NEAICLRYGXEETM-UHFFFAOYSA-N 0 0 449.363 5.081 40 30 IKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000013841961 557394895 /nfs/dbraw/zinc/39/48/95/557394895.db2.gz RSFAIYJXRCBQSU-UHFFFAOYSA-N 0 0 440.783 6.296 40 30 IKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000013842920 557395237 /nfs/dbraw/zinc/39/52/37/557395237.db2.gz ORJDKSRGLNQLJY-UHFFFAOYSA-N 0 0 440.544 5.036 40 30 IKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000013842863 557395270 /nfs/dbraw/zinc/39/52/70/557395270.db2.gz YWHNMSAMIFVGHQ-UHFFFAOYSA-N 0 0 448.419 6.766 40 30 IKEBRN C=CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1C ZINC000013842952 557395334 /nfs/dbraw/zinc/39/53/34/557395334.db2.gz FCIPRWVOMBHGRB-UHFFFAOYSA-N 0 0 436.581 5.206 40 30 IKEBRN C=CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(Br)cc1 ZINC000013845432 557395539 /nfs/dbraw/zinc/39/55/39/557395539.db2.gz UQZOROCQIJQHBC-UHFFFAOYSA-N 0 0 446.370 5.107 40 30 IKEBRN CCCCCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC ZINC000100306110 557398897 /nfs/dbraw/zinc/39/88/97/557398897.db2.gz NPVCBOKHWZYJGT-UHFFFAOYSA-N 0 0 427.626 5.469 40 30 IKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC)c(OC)c4)C(=O)[C@@]3(C)CC[C@@H]21 ZINC000034107146 557399367 /nfs/dbraw/zinc/39/93/67/557399367.db2.gz SZBWKZHLROZHJQ-OQHVMYPWSA-N 0 0 432.560 5.831 40 30 IKEBRN COc1cc(/C=C2\C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc2c1OCO2 ZINC000118913500 557405177 /nfs/dbraw/zinc/40/51/77/557405177.db2.gz FBJLPYMCBZFUML-UKDVBGKFSA-N 0 0 436.592 6.419 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@H](CC[C@H]4[C@@H]5CC(=O)C[C@@]5(C)CC[C@@H]43)C2)cc1 ZINC000118914902 557405441 /nfs/dbraw/zinc/40/54/41/557405441.db2.gz IFADLLNZMJESQF-XLKHMCNMSA-N 0 0 444.637 5.681 40 30 IKEBRN 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444.560 5.236 40 30 IKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000014133419 557422126 /nfs/dbraw/zinc/42/21/26/557422126.db2.gz WTPFRBCSTMFAPT-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000014133330 557422191 /nfs/dbraw/zinc/42/21/91/557422191.db2.gz XFTSNTOODZDQLH-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000014133421 557422333 /nfs/dbraw/zinc/42/23/33/557422333.db2.gz DEUNIQFVRSSUAW-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000014133422 557422346 /nfs/dbraw/zinc/42/23/46/557422346.db2.gz RJDODNMUDUAMIA-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccccc1Cl ZINC000014133448 557422434 /nfs/dbraw/zinc/42/24/34/557422434.db2.gz FUZMWKGXYXOMRN-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C#CCOc1ccc(OC)cc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000014134497 557422783 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O=C1C[C@H](c2ccccc2)CC2=Nc3nc4ccccc4n3[C@@H](c3ccc(Cl)cc3)C12 ZINC000017094641 557484645 /nfs/dbraw/zinc/48/46/45/557484645.db2.gz BFTNCODIEGWAOI-CJAUYULYSA-N 0 0 425.919 6.105 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)c(C)c1 ZINC000223553987 557485210 /nfs/dbraw/zinc/48/52/10/557485210.db2.gz GIOREIQBTMCKAQ-QCYAWUEASA-N 0 0 447.648 6.696 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)cc2)cc1 ZINC000223562702 557486410 /nfs/dbraw/zinc/48/64/10/557486410.db2.gz MASJTXOCJYLRBU-DDBXXPGKSA-N 0 0 442.603 7.739 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000017096079 557487730 /nfs/dbraw/zinc/48/77/30/557487730.db2.gz ZBFJZKMDAYPMIR-KWPJTZOTSA-N 0 0 428.557 6.280 40 30 IKEBRN CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccc(C)c(C)c4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223579038 557488186 /nfs/dbraw/zinc/48/81/86/557488186.db2.gz QPHZODRRAPCCDE-QCYAWUEASA-N 0 0 447.648 6.616 40 30 IKEBRN 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COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)cc2)cc1 ZINC000198151090 557529649 /nfs/dbraw/zinc/52/96/49/557529649.db2.gz MBQDOXROMKUNHZ-RDRPBHBLSA-N 0 0 426.560 7.178 40 30 IKEBRN C=C(C)[C@H]1CC[C@@]2(CO)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000118913212 557544194 /nfs/dbraw/zinc/54/41/94/557544194.db2.gz FVWJYYTZTCVBKE-UPGNKWQRSA-N 0 0 442.728 6.997 40 30 in-man IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914957 557544251 /nfs/dbraw/zinc/54/42/51/557544251.db2.gz AXNNSHMUJUSTKY-GMZOJPPVSA-N 0 0 434.620 5.744 40 30 IKEBRN Clc1nc(COc2ccc(/C=N/c3ccccc3)cc2)nc2sc3c(c21)CCCC3 ZINC000028219408 557673182 /nfs/dbraw/zinc/67/31/82/557673182.db2.gz ADBUXXZZGDKZTD-VULFUBBASA-N 0 0 433.964 6.553 40 30 IKEBRN Clc1ccc(COc2cccc(C=NNc3nc4ccccc4s3)c2)c(Cl)c1 ZINC000033396490 557808097 /nfs/dbraw/zinc/80/80/97/557808097.db2.gz HTVOUBMYUBSZKI-MSXFZWOLSA-N 0 0 428.344 6.628 40 30 IKEBRN Clc1ccc(-c2nc3ccccc3c(N=NCc3ccc(Br)cc3)n2)cc1 ZINC000033535242 557808310 /nfs/dbraw/zinc/80/83/10/557808310.db2.gz KFLRDOVYKKZXMY-CFRMEGHHSA-N 0 0 437.728 6.159 40 30 IKEBRN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 ZINC000033616706 557808629 /nfs/dbraw/zinc/80/86/29/557808629.db2.gz WLTGSTWAXMZIIP-UHFFFAOYSA-N 0 0 448.773 5.522 40 30 IKEBRN COc1ccc(OC)c(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)c1 ZINC000058826816 557812845 /nfs/dbraw/zinc/81/28/45/557812845.db2.gz OARZFRWXYAJZJE-YUMHPJSZSA-N 0 0 434.561 5.325 40 30 IKEBRN CCc1ccc(/N=C2\S/C(=C\c3cc(C)n(C)c3C)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059104357 557814078 /nfs/dbraw/zinc/81/40/78/557814078.db2.gz DZUJESVBVWKNDO-BLEOTABNSA-N 0 0 443.616 6.575 40 30 IKEBRN CCc1ccc(/N=C2\S/C(=C\c3cccc(C)c3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059105154 557814636 /nfs/dbraw/zinc/81/46/36/557814636.db2.gz NOHBORSDOZDUQA-ZEHKLFRWSA-N 0 0 426.585 6.928 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccccc1 ZINC000059105732 557814773 /nfs/dbraw/zinc/81/47/73/557814773.db2.gz AVCMBYDKQMLUGP-HZHRSRAPSA-N 0 0 448.519 5.695 40 30 IKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(F)cc4)c3C)S2)cc1 ZINC000059137131 557815855 /nfs/dbraw/zinc/81/58/55/557815855.db2.gz IAHWVOBUSGPSPC-HMAPJEAMSA-N 0 0 435.524 5.524 40 30 IKEBRN CCOc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)S2)cc1 ZINC000059137866 557816103 /nfs/dbraw/zinc/81/61/03/557816103.db2.gz DUXSGSNEYCRGCW-ZHZULCJRSA-N 0 0 436.558 6.030 40 30 IKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3cc(Cl)ccc3OCc3ccccc3)S2)cc1 ZINC000059145709 557817143 /nfs/dbraw/zinc/81/71/43/557817143.db2.gz WAOVDMXYOBJOCW-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN COc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)ccc1OCc1cccc(C)c1 ZINC000059193582 557818033 /nfs/dbraw/zinc/81/80/33/557818033.db2.gz MPCNWHFPTJAEJZ-UHFFFAOYSA-N 0 0 444.527 5.711 40 30 IKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1ccccc1C ZINC000059194501 557818194 /nfs/dbraw/zinc/81/81/94/557818194.db2.gz JASZAWDKPVWDSQ-MFKUBSTISA-N 0 0 431.517 5.669 40 30 IKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1cccc(C)c1 ZINC000059193628 557818207 /nfs/dbraw/zinc/81/82/07/557818207.db2.gz OUPHFJMXZZSIJL-CVKSISIWSA-N 0 0 443.528 5.792 40 30 IKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OC(=O)c1cccc(Cl)c1 ZINC000059194450 557818244 /nfs/dbraw/zinc/81/82/44/557818244.db2.gz LQWRUBGRZJBDFS-ZMOGYAJESA-N 0 0 437.908 5.624 40 30 IKEBRN COc1ccc(-c2ccc(/C=C3/S/C(=N\c4ccc(C)c(C)c4)NC3=O)o2)c([N+](=O)[O-])c1 ZINC000059223866 557818738 /nfs/dbraw/zinc/81/87/38/557818738.db2.gz CXXWTMGQLBTFBX-CIAFOILYSA-N 0 0 449.488 5.372 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N/c3cc(Cl)ccc3C)NC2=O)cc1Br ZINC000059224308 557818801 /nfs/dbraw/zinc/81/88/01/557818801.db2.gz MTBOVMSYTDBXLU-PXNMLYILSA-N 0 0 437.746 5.311 40 30 IKEBRN Cc1cc(/C=C2/S/C(=N/c3ccc(F)cc3)NC2=O)c(C)n1-c1ccccc1Cl ZINC000059105980 557820267 /nfs/dbraw/zinc/82/02/67/557820267.db2.gz SCHXCBFVPZENIY-UDWIEESQSA-N 0 0 425.916 5.778 40 30 IKEBRN Oc1ccccc1/C=N/c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 ZINC000059461267 557821332 /nfs/dbraw/zinc/82/13/32/557821332.db2.gz ZRDCHGXCFSEDPB-BHGWPJFGSA-N 0 0 445.396 7.352 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000059459531 557821379 /nfs/dbraw/zinc/82/13/79/557821379.db2.gz PGBFSGQQHSERNN-VNSNFZHPSA-N 0 0 438.358 5.761 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3ccc(Cl)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463686 557821538 /nfs/dbraw/zinc/82/15/38/557821538.db2.gz LUTFTMNUMSNOBQ-AFUMVMLFSA-N 0 0 433.920 7.098 40 30 IKEBRN COc1ccc(OC)c(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1 ZINC000059463677 557821557 /nfs/dbraw/zinc/82/15/57/557821557.db2.gz IZXKOJJHQIGXCA-MFKUBSTISA-N 0 0 445.500 6.153 40 30 IKEBRN O=C(ON=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cc(F)c(F)cc1Cl ZINC000059461432 557821577 /nfs/dbraw/zinc/82/15/77/557821577.db2.gz AOAOBHCPEUDICV-UHFFFAOYSA-N 0 0 440.660 6.534 40 30 IKEBRN Brc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000059471642 557821926 /nfs/dbraw/zinc/82/19/26/557821926.db2.gz JURCQCLMERDIMU-QDMJJKQJSA-N 0 0 429.361 7.026 40 30 IKEBRN Cc1cccc(/N=C2\NC(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)S2)c1C ZINC000059302128 557821942 /nfs/dbraw/zinc/82/19/42/557821942.db2.gz RFKAYEUJGQNETE-BOPFTXTBSA-N 0 0 446.370 5.151 40 30 IKEBRN Clc1ccccc1COc1ccc2ccccc2c1C=NN=c1[nH]c2ccccc2s1 ZINC000059386988 557822373 /nfs/dbraw/zinc/82/23/73/557822373.db2.gz VRRUYNYBJLIOEO-JFLMPSFJSA-N 0 0 443.959 7.128 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N\c3ccc(-n4c(C)ccc4C)cc3)c2C)cc1 ZINC000059427375 557823661 /nfs/dbraw/zinc/82/36/61/557823661.db2.gz AKQTXXPNLKVCEZ-MIXAMLLLSA-N 0 0 439.559 6.429 40 30 IKEBRN O=c1c2c3c(sc2ncn1/N=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)CCCC3 ZINC000059433774 557823886 /nfs/dbraw/zinc/82/38/86/557823886.db2.gz NYXJBSYAGBDYOP-KIBLKLHPSA-N 0 0 444.343 5.786 40 30 IKEBRN COc1cc(C)c(/C=C2\S/C(=N/c3cccc(Cl)c3Cl)NC2=O)cc1C(C)C ZINC000059566961 557824326 /nfs/dbraw/zinc/82/43/26/557824326.db2.gz ILOOOYKNFXCUQL-ZDLGFXPLSA-N 0 0 435.376 6.325 40 30 IKEBRN COc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)s2)cc1OC ZINC000059475144 557824698 /nfs/dbraw/zinc/82/46/98/557824698.db2.gz PJSHNPAKAXTGES-CVKSISIWSA-N 0 0 449.963 6.594 40 30 IKEBRN C=CCSc1nc2ccc(/N=C/c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2s1 ZINC000059483330 557825073 /nfs/dbraw/zinc/82/50/73/557825073.db2.gz NXKNGGWRJSUNSA-HYARGMPZSA-N 0 0 440.550 5.070 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000059500684 557826513 /nfs/dbraw/zinc/82/65/13/557826513.db2.gz KZEWXKWLDCAKPV-VULFUBBASA-N 0 0 435.932 6.842 40 30 IKEBRN COc1c(Br)cc(/C=C2\Sc3ccccc3C2=O)cc1Br ZINC000059503503 557826729 /nfs/dbraw/zinc/82/67/29/557826729.db2.gz DKYVSCSCABVLFP-ZSOIEALJSA-N 0 0 426.129 5.550 40 30 IKEBRN FC(F)(F)c1cccc(CN=Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 ZINC000059514355 557826829 /nfs/dbraw/zinc/82/68/29/557826829.db2.gz OIPSGPSEZKXPDF-JFLMPSFJSA-N 0 0 449.440 5.824 40 30 IKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2cccc3ccccc32)c(OCC)c1 ZINC000059535948 557827481 /nfs/dbraw/zinc/82/74/81/557827481.db2.gz LWWCJEORTONEHV-VULFUBBASA-N 0 0 441.984 5.289 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000059959490 557828142 /nfs/dbraw/zinc/82/81/42/557828142.db2.gz MGVKBQZTXZRMGX-OTZYPNAKSA-N 0 0 448.910 5.015 40 30 IKEBRN CCCCc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000059679315 557828512 /nfs/dbraw/zinc/82/85/12/557828512.db2.gz GLAXAPHKLWXNNE-ZVHZXABRSA-N 0 0 448.813 7.940 40 30 IKEBRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3[C@@H]3O[C@@H]3[C@]12C ZINC000123290147 557837281 /nfs/dbraw/zinc/83/72/81/557837281.db2.gz CYPQELKXBYBDOE-GEAQWMIGSA-N 0 0 446.628 5.154 40 30 IKEBRN CCCN1C(=O)/C(=C\c2c(OCC)ccc3ccccc32)S/C1=N/c1ccc(C)cc1 ZINC000096469257 557838136 /nfs/dbraw/zinc/83/81/36/557838136.db2.gz DQXVIDBRVRIHAD-RWBSCQHUSA-N 0 0 430.573 6.561 40 30 IKEBRN CCCCCCCCOc1ccc(/C=N/N=C(/C(=O)c2ccccc2)c2ccccc2)cc1 ZINC000097980751 557839499 /nfs/dbraw/zinc/83/94/99/557839499.db2.gz BQHOXFYKSAMEHS-RAHOFXTKSA-N 0 0 440.587 7.132 40 30 IKEBRN Brc1ccc(N=NC(Br)c2ccccc2)c(Br)c1 ZINC000255004042 569274010 /nfs/dbraw/zinc/27/40/10/569274010.db2.gz LCAVXBLQYLZLDG-UHFFFAOYSA-N 0 0 432.941 5.380 40 30 IKEBRN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501191 560037874 /nfs/dbraw/zinc/03/78/74/560037874.db2.gz MHAVMNJPXLZEIG-HQFMZJCSSA-N 0 0 438.696 7.412 40 30 biogenic,in-vitro IKEBRN C=C(C)[C@@H](O)CC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253534230 560039896 /nfs/dbraw/zinc/03/98/96/560039896.db2.gz XTCFYHGQQPCUJI-YPJAPOCRSA-N 0 0 444.744 7.386 40 30 biogenic,in-vitro IKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000014117849 568622024 /nfs/dbraw/zinc/62/20/24/568622024.db2.gz MBXWXZKXCBJKCT-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN CCCCc1ccc(CN2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 ZINC000585294747 568632324 /nfs/dbraw/zinc/63/23/24/568632324.db2.gz JADLJFPTRLNCAD-OAQYLSRUSA-N 0 0 437.638 6.285 40 30 IKEBRN N#Cc1c(-c2ccccc2)cc(-c2cccs2)n(CC(=O)Nc2ccccc2)c1=S ZINC000001073900 568654914 /nfs/dbraw/zinc/65/49/14/568654914.db2.gz VRLJZYXFVYWMFY-UHFFFAOYSA-N 0 0 427.554 6.123 40 30 IKEBRN N#Cc1c(-c2cccs2)cc(C(F)(F)F)nc1SCC(=O)Nc1ccc(F)cc1 ZINC000001073742 568654917 /nfs/dbraw/zinc/65/49/17/568654917.db2.gz ZRRJACJVQQTVIW-UHFFFAOYSA-N 0 0 437.443 5.570 40 30 IKEBRN Cn1nnnc1NC(=O)c1cc(-c2cc(Cl)c(Cl)c(Cl)c2)nc2ccccc21 ZINC000026780173 568739074 /nfs/dbraw/zinc/73/90/74/568739074.db2.gz OBPIMVXXNXROIG-UHFFFAOYSA-N 0 0 433.686 5.022 40 30 IKEBRN COc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2c1 ZINC000001223607 568741827 /nfs/dbraw/zinc/74/18/27/568741827.db2.gz RHIGVLKOMSBZGT-UHFFFAOYSA-N 0 0 425.513 5.513 40 30 IKEBRN O=c1oc2ccccc2cc1-c1ccc(/N=C/c2c3c(ccc2Br)OCO3)cc1 ZINC000003206610 568743001 /nfs/dbraw/zinc/74/30/01/568743001.db2.gz XGCIWKABJLBPER-BRJLIKDPSA-N 0 0 448.272 5.702 40 30 IKEBRN CCCCCCCNC(=O)c1cc(Cl)c(Cl)cc1C(=O)NCCCCCCC ZINC000105633982 568743707 /nfs/dbraw/zinc/74/37/07/568743707.db2.gz WGKIMMDUDXZTAE-UHFFFAOYSA-N 0 0 429.432 6.394 40 30 IKEBRN C=C(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000043743143 568760041 /nfs/dbraw/zinc/76/00/41/568760041.db2.gz MQYXUWHLBZFQQO-TZTCSNRFSA-N 0 0 426.729 8.025 40 30 IKEBRN N#Cc1c(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)sc2c1CCCC2 ZINC000032124630 568781476 /nfs/dbraw/zinc/78/14/76/568781476.db2.gz MCGYWTCHEAJJDA-UHFFFAOYSA-N 0 0 431.517 5.038 40 30 IKEBRN C/C(=N\c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(Cl)c(Cl)c1 ZINC000101559459 568791917 /nfs/dbraw/zinc/79/19/17/568791917.db2.gz WLZZYKMNNYTREI-MUFRIFMGSA-N 0 0 431.322 7.933 40 30 IKEBRN C#CCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O ZINC000009311706 568818446 /nfs/dbraw/zinc/81/84/46/568818446.db2.gz JSRJTDRTOMCTPD-WQRHYEAKSA-N 0 0 448.327 5.251 40 30 IKEBRN C=CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Br ZINC000016161884 568829336 /nfs/dbraw/zinc/82/93/36/568829336.db2.gz AMFZFKFGBQGKPC-CNSVBDKNSA-N 0 0 445.382 5.176 40 30 IKEBRN CCCCCCCCCCCCNC(=O)CCC(=O)OCCCC(F)(F)C(F)(F)F ZINC000101657622 568848021 /nfs/dbraw/zinc/84/80/21/568848021.db2.gz KRWCFCMJCCYBNK-UHFFFAOYSA-N 0 0 445.513 6.325 40 30 IKEBRN CCCCCCCCOc1ccc(/C=C2\C(=O)ON=C2c2ccc(OC)c(OC)c2)cc1 ZINC000101662331 568848588 /nfs/dbraw/zinc/84/85/88/568848588.db2.gz IHKZVALHEDMESF-XLNRJJMWSA-N 0 0 437.536 5.788 40 30 IKEBRN C=C(C)C(=O)Nc1ccc(Oc2ccc(Oc3ccc(NC(=O)C(=C)C)cc3)cc2)cc1 ZINC000020161362 568855671 /nfs/dbraw/zinc/85/56/71/568855671.db2.gz OGDWUTPNUMHZDY-UHFFFAOYSA-N 0 0 428.488 6.300 40 30 IKEBRN C=CCOC(=O)c1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 ZINC000216831898 568861690 /nfs/dbraw/zinc/86/16/90/568861690.db2.gz ZGEVEQKCXBTZDY-UHFFFAOYSA-N 0 0 425.706 5.423 40 30 IKEBRN Brc1ccc(/N=C(\Nc2ccc(Br)cc2)c2ccccc2)cc1 ZINC000033450103 568866449 /nfs/dbraw/zinc/86/64/49/568866449.db2.gz SNZUCMSYBNEOMQ-UHFFFAOYSA-N 0 0 430.143 6.402 40 30 IKEBRN CN(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C#N)cc5)o4)cc3)o2)cc1 ZINC000016186531 568872156 /nfs/dbraw/zinc/87/21/56/568872156.db2.gz QBSLPPKSFUHMNG-UHFFFAOYSA-N 0 0 434.459 5.058 40 30 IKEBRN COc1ccc(-c2nnc(SCc3ccc(C#N)cc3Cl)n2-c2ccccc2)cc1 ZINC000016217504 568873021 /nfs/dbraw/zinc/87/30/21/568873021.db2.gz LBYUTRSHIZIUJB-UHFFFAOYSA-N 0 0 432.936 5.760 40 30 IKEBRN Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)c(C)c1 ZINC000006195305 568876218 /nfs/dbraw/zinc/87/62/18/568876218.db2.gz AXVOOBOVMQRASC-UHFFFAOYSA-N 0 0 449.579 6.635 40 30 IKEBRN N#Cc1c(N)nc(SCc2ccc(Cl)cc2Cl)nc1Cc1ccccc1Cl ZINC000223666544 568876302 /nfs/dbraw/zinc/87/63/02/568876302.db2.gz DQBFMVSLYSDYMK-UHFFFAOYSA-N 0 0 435.767 5.774 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NC(=CCc2ccc(Cl)cc2)c2cccs2)c([N+](=O)[O-])c1 ZINC000026442358 568877639 /nfs/dbraw/zinc/87/76/39/568877639.db2.gz CWGVYKILAOKCSB-HFYBAYOISA-N 0 0 428.857 5.748 40 30 IKEBRN Cc1ccc(-c2cc(-c3ccccc3)c(C#N)c(SCC(=O)Nc3ccccc3C)n2)cc1 ZINC000006245995 568880664 /nfs/dbraw/zinc/88/06/64/568880664.db2.gz AXDJRUCNUCULMZ-UHFFFAOYSA-N 0 0 449.579 6.635 40 30 IKEBRN CC[C@H](C)N1C(=O)[C@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC(F)F)cc1 ZINC000102961959 568900509 /nfs/dbraw/zinc/90/05/09/568900509.db2.gz NSMRBIFQENEVOQ-QZEHPXEOSA-N 0 0 447.507 5.047 40 30 IKEBRN C=CC/N=c1/scc(-c2ccc3c(c2)NC(=O)CO3)n1N=C1CCC(C(C)(C)C)CC1 ZINC000105525656 568901113 /nfs/dbraw/zinc/90/11/13/568901113.db2.gz ONCDMQSWPHOEBQ-AOPAZGRYSA-N 0 0 438.597 5.075 40 30 IKEBRN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000001782382 568906936 /nfs/dbraw/zinc/90/69/36/568906936.db2.gz CDRHUFSCBSMTOQ-NEXMIYJRSA-N 0 0 445.382 5.558 40 30 IKEBRN Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N ZINC000006444106 568906954 /nfs/dbraw/zinc/90/69/54/568906954.db2.gz HNPUZIKDJRSQAK-HXUWFJFHSA-N 0 0 449.579 6.715 40 30 IKEBRN N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1c(Cl)cccc1Cl ZINC000006474352 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569409304 /nfs/dbraw/zinc/40/93/04/569409304.db2.gz PHDXKKSGVHQWEZ-UHFFFAOYSA-N 0 0 439.357 5.159 40 30 IKEBRN CCn1ncc(Br)c1C(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)CC)C2 ZINC000002764216 569420483 /nfs/dbraw/zinc/42/04/83/569420483.db2.gz KEHRIDXLPHRIIU-GFCCVEGCSA-N 0 0 449.418 5.392 40 30 IKEBRN C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc(C)cc1C ZINC000003022312 569436013 /nfs/dbraw/zinc/43/60/13/569436013.db2.gz ZMRAJJSBIMWOTQ-VHPLVOQASA-N 0 0 437.590 5.472 40 30 IKEBRN Clc1cccc(/C=N/c2ccc3oc(-c4ccccc4Br)nc3c2)c1Cl ZINC000003043233 569438536 /nfs/dbraw/zinc/43/85/36/569438536.db2.gz DXSHWFWUQZLXIZ-BHGWPJFGSA-N 0 0 446.131 7.315 40 30 IKEBRN CCOc1cc(/C=N/c2ccc3ccccc3c2)ccc1OC(=O)c1cccc2ccccc21 ZINC000003044402 569438555 /nfs/dbraw/zinc/43/85/55/569438555.db2.gz XECVFPMXXTWKHV-AJBULDERSA-N 0 0 445.518 7.362 40 30 IKEBRN COc1cc(Br)cc(/C=N/c2ccc(-c3nc4ccccc4s3)cc2)c1O ZINC000003050587 569439137 /nfs/dbraw/zinc/43/91/37/569439137.db2.gz VBLRYUGCPKCYIC-FSJBWODESA-N 0 0 439.334 6.191 40 30 IKEBRN Cc1ccc([C@@H]2C(c3nc(-c4ccccc4)cs3)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000003073417 569439829 /nfs/dbraw/zinc/43/98/29/569439829.db2.gz CVTLTSDKNATWQH-QFIPXVFZSA-N 0 0 442.584 6.203 40 30 IKEBRN CCCCCCCCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=O ZINC000003137962 569440802 /nfs/dbraw/zinc/44/08/02/569440802.db2.gz SORYLCGYKXUZOR-UHFFFAOYSA-N 0 0 440.452 5.622 40 30 IKEBRN COc1ccc(/N=C/c2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1Cl ZINC000003202215 569441591 /nfs/dbraw/zinc/44/15/91/569441591.db2.gz RBDLVIZIVMFNBD-BRJLIKDPSA-N 0 0 434.706 6.625 40 30 IKEBRN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 ZINC000004081750 569458668 /nfs/dbraw/zinc/45/86/68/569458668.db2.gz MHAVMNJPXLZEIG-RPLJJSTGSA-N 0 0 438.696 7.412 40 30 biogenic IKEBRN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@H](C(C)(C)C)C2 ZINC000032124813 569460322 /nfs/dbraw/zinc/46/03/22/569460322.db2.gz RMVPGKICTKBHSA-INIZCTEOSA-N 0 0 433.577 5.485 40 30 IKEBRN 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569585039 /nfs/dbraw/zinc/58/50/39/569585039.db2.gz BRTNMAVHNASESL-CVKSISIWSA-N 0 0 433.964 6.797 40 30 IKEBRN Cc1sc(N=NCc2ccc(OCc3ccc(Cl)cc3)cc2)nc1-c1ccccc1 ZINC000059193830 569585041 /nfs/dbraw/zinc/58/50/41/569585041.db2.gz QSMANZPIQOXOPU-CVKSISIWSA-N 0 0 433.964 6.797 40 30 IKEBRN COc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1c(C)cc(C)cc1C ZINC000408979941 569585113 /nfs/dbraw/zinc/58/51/13/569585113.db2.gz OTBQSRXPBXAZDA-UHFFFAOYSA-N 0 0 427.548 5.594 40 30 IKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1ccc(Cl)cc1 ZINC000408977780 569585118 /nfs/dbraw/zinc/58/51/18/569585118.db2.gz FODBUJGGLMRHCO-UHFFFAOYSA-N 0 0 441.918 6.110 40 30 IKEBRN CCOc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1cccc(C)c1 ZINC000408983046 569585123 /nfs/dbraw/zinc/58/51/23/569585123.db2.gz ZZSBJOUXABSBED-UHFFFAOYSA-N 0 0 435.527 6.156 40 30 IKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1ccc(F)cc1 ZINC000408982887 569585153 /nfs/dbraw/zinc/58/51/53/569585153.db2.gz ZPEXSUREYXLPPA-UHFFFAOYSA-N 0 0 425.463 5.596 40 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C=CCOc1c(Br)cc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 ZINC000408613559 193979652 /nfs/dbraw/zinc/97/96/52/193979652.db2.gz YBWJBKGSJUNXFH-UHFFFAOYSA-N 0 0 442.107 5.297 40 30 IKEBRN C(=Nc1ccccc1)C1=C(N(c2ccccc2)c2ccccc2)C(=CNc2ccccc2)CC1 ZINC000016488102 518378473 /nfs/dbraw/zinc/37/84/73/518378473.db2.gz GXBQJYINGLJJDR-SGBSCXRBSA-N 0 0 441.578 8.271 40 30 IKEBRN C(=N\N(CCCCN(/N=C\c1ccccc1)c1ccccc1)c1ccccc1)\c1ccccc1 ZINC000031669968 518380231 /nfs/dbraw/zinc/38/02/31/518380231.db2.gz LAFVXUWSZCDPIQ-WVMMTVHUSA-N 0 0 446.598 6.848 40 30 IKEBRN CC(N=Nc1ccccn1)c1ccc(OCCOc2ccc(Br)cc2)cc1 ZINC000012524771 518465372 /nfs/dbraw/zinc/46/53/72/518465372.db2.gz LEHNNMDXZDQSTK-LFVJCYFKSA-N 0 0 426.314 5.138 40 30 IKEBRN CC(Nc1ccccc1N=Cc1c2ccccc2cc2ccccc21)=C1C(=O)C=C(C)OC1=O ZINC000227173350 518475822 /nfs/dbraw/zinc/47/58/22/518475822.db2.gz GCOKEYNYSCEDMW-OGGHBDMOSA-N 0 0 446.506 6.459 40 30 IKEBRN CC(=O)n1nc(C(F)(F)C(F)(F)C(F)(F)F)c(Br)c1-c1ccccc1 ZINC000002526331 518497892 /nfs/dbraw/zinc/49/78/92/518497892.db2.gz MJGAUBDQHKZYTI-UHFFFAOYSA-N 0 0 433.121 5.262 40 30 IKEBRN C=C(C)CS[C@@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CC[C@H](C(C)(C)C)C3 ZINC000004907130 518624874 /nfs/dbraw/zinc/62/48/74/518624874.db2.gz RLVDOZLLKXBQFM-QMHKHESXSA-N 0 0 426.651 6.564 40 30 IKEBRN C=CCN(Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 ZINC000224469559 518778377 /nfs/dbraw/zinc/77/83/77/518778377.db2.gz AWJMOBCCPBTGEC-UHFFFAOYSA-N 0 0 448.588 5.439 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224372145 518807852 /nfs/dbraw/zinc/80/78/52/518807852.db2.gz UXPAGXGXNTWEAY-UHFFFAOYSA-N 0 0 440.952 5.282 40 30 IKEBRN C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(Br)cc1 ZINC000224741855 518813550 /nfs/dbraw/zinc/81/35/50/518813550.db2.gz WBVPVUFVJKYNFP-UHFFFAOYSA-N 0 0 436.371 5.152 40 30 IKEBRN C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224961494 518814129 /nfs/dbraw/zinc/81/41/29/518814129.db2.gz MRFFVVUKGDCQRU-UHFFFAOYSA-N 0 0 443.952 5.309 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S ZINC000006600592 518832852 /nfs/dbraw/zinc/83/28/52/518832852.db2.gz CKWHIXFPAVHHHX-DEDYPNTBSA-N 0 0 445.993 5.705 40 30 IKEBRN C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2c(C)cccc2C)S1(=O)=O ZINC000020063588 518876879 /nfs/dbraw/zinc/87/68/79/518876879.db2.gz NUCACDOZGDEVAF-UHFFFAOYSA-N 0 0 444.556 5.037 40 30 IKEBRN C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Br)c1 ZINC000226341089 518967291 /nfs/dbraw/zinc/96/72/91/518967291.db2.gz KOLGCPKUESVHBE-VOTSOKGWSA-N 0 0 425.681 5.563 40 30 IKEBRN C=CCO/N=C(\CCC)C1/C(=N/OCC)CC(C[C@@H](C)SCC)C/C1=N/OCC ZINC000102909771 518967517 /nfs/dbraw/zinc/96/75/17/518967517.db2.gz MSKXSYDVWIKAML-WTEUBJNMSA-N 0 0 425.639 5.688 40 30 IKEBRN C=CCOC(=O)C1C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(OCCC(C)C)c1 ZINC000020672493 518973439 /nfs/dbraw/zinc/97/34/39/518973439.db2.gz FTKOIQCQFONSLZ-DEOSSOPVSA-N 0 0 431.536 5.479 40 30 IKEBRN C=CCOC(=O)c1cc(-c2ccc3c4c(cccc42)CC3)nc2ccc(Br)cc21 ZINC000226360612 518977150 /nfs/dbraw/zinc/97/71/50/518977150.db2.gz SBMXZXAXPPZAKV-UHFFFAOYSA-N 0 0 444.328 6.259 40 30 IKEBRN C=CCOC(=O)c1cc(Br)c(OCc2cccc3ccccc32)c(OCC)c1 ZINC000226325239 518977484 /nfs/dbraw/zinc/97/74/84/518977484.db2.gz BVIHBEHPDJRDNY-UHFFFAOYSA-N 0 0 441.321 5.923 40 30 IKEBRN C=CCOc1c(Br)cc(/C=N/NCc2c(Cl)cccc2Cl)cc1OC ZINC000009197245 519002553 /nfs/dbraw/zinc/00/25/53/519002553.db2.gz ZEXGHDBCQOTRFN-LSHDLFTRSA-N 0 0 444.156 5.453 40 30 IKEBRN CC(C)(C)c1ccc(C2N=NC(=S)N2N=CC(Br)=Cc2ccccc2)cc1 ZINC000012464716 519009515 /nfs/dbraw/zinc/00/95/15/519009515.db2.gz TYPNHNNGNDVJIU-QWFULKMDSA-N 0 0 441.398 5.801 40 30 IKEBRN C=CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Br ZINC000016161886 519016576 /nfs/dbraw/zinc/01/65/76/519016576.db2.gz AMFZFKFGBQGKPC-FNGUVFISSA-N 0 0 445.382 5.176 40 30 IKEBRN CC(C)(C)c1ccc(CSc2nc(-c3ccccc3)cn2/N=C/c2cccs2)cc1 ZINC000012652586 519031885 /nfs/dbraw/zinc/03/18/85/519031885.db2.gz CSIBOFGKHVQOOA-WGOQTCKBSA-N 0 0 431.630 7.084 40 30 IKEBRN CC(C)(C)c1ccc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c2c1 ZINC000002386318 519051907 /nfs/dbraw/zinc/05/19/07/519051907.db2.gz DZPHEQMCDNDBKY-UHFFFAOYSA-N 0 0 434.582 8.090 40 30 IKEBRN C=CCSC1=NC(C)(C)C[C@@]2(C[C@H](c3ccc(OC)cc3)c3ccc(O)c(C)c3O2)N1 ZINC000012716876 519076170 /nfs/dbraw/zinc/07/61/70/519076170.db2.gz RYQIQTFWSRHYSV-NLFFAJNJSA-N 0 0 438.593 5.367 40 30 IKEBRN C=CCSc1nnc2c(n1)O[C@@H](c1c(OCC)ccc3ccccc31)Nc1ccccc1-2 ZINC000015015567 519093485 /nfs/dbraw/zinc/09/34/85/519093485.db2.gz GRTXLOYKXHOCPH-QHCPKHFHSA-N 0 0 442.544 5.872 40 30 IKEBRN C=CCn1c(CSc2ccc(C)cc2)nn(CC(=O)Nc2c(C)cccc2C)c1=S ZINC000016769632 519190745 /nfs/dbraw/zinc/19/07/45/519190745.db2.gz OTCJWQWOFCLWND-UHFFFAOYSA-N 0 0 438.622 5.456 40 30 IKEBRN C=CCn1c(Cc2ccc(OC)cc2)nnc1SCc1ccc(Br)cc1 ZINC000014091784 519192062 /nfs/dbraw/zinc/19/20/62/519192062.db2.gz PLVTZRKCRNDULX-UHFFFAOYSA-N 0 0 430.371 5.118 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850571 519221762 /nfs/dbraw/zinc/22/17/62/519221762.db2.gz WDRJYEFPSRDVAD-MRXNPFEDSA-N 0 0 442.972 5.297 40 30 IKEBRN C=CCn1c(SCc2cc(N)cc(Nc3ccccc3)c2)nnc1-c1cccc(OC)c1 ZINC000032109927 519238035 /nfs/dbraw/zinc/23/80/35/519238035.db2.gz SPFFGLJSYYMYCH-UHFFFAOYSA-N 0 0 443.576 5.758 40 30 IKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)c1ccc(Br)cc1 ZINC000072228609 519445821 /nfs/dbraw/zinc/44/58/21/519445821.db2.gz GCLWFUOCGJMQPX-UHFFFAOYSA-N 0 0 431.359 5.736 40 30 IKEBRN CC(C)c1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)cc(C(C)C)c1O ZINC000026787085 519833163 /nfs/dbraw/zinc/83/31/63/519833163.db2.gz DFBQKEBKKBZWMP-UHFFFAOYSA-N 0 0 436.577 5.887 40 30 IKEBRN CCCC/N=C1\S/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C(=O)N1CCCC ZINC000012275038 519887439 /nfs/dbraw/zinc/88/74/39/519887439.db2.gz KAYHXJOIFNTLKB-DZNDYGJHSA-N 0 0 436.621 6.447 40 30 IKEBRN CCCCC/C=C\C/C=C\CCCCCCCCOC(=O)CCCCCCCCCCC ZINC000100503774 519917081 /nfs/dbraw/zinc/91/70/81/519917081.db2.gz HHGLCKLXHVTCRU-DURLKXOLSA-N 0 0 448.776 10.264 40 30 IKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1c(Cl)cccc1Cl ZINC000005493449 519949110 /nfs/dbraw/zinc/94/91/10/519949110.db2.gz RMSMBWQZZQVPFL-VTBQGAJJSA-N 0 0 444.233 8.752 40 30 IKEBRN CCCCCCCCCCCC(=NOC(=O)Nc1cccc2ccccc21)c1ccccc1 ZINC000100936729 519981788 /nfs/dbraw/zinc/98/17/88/519981788.db2.gz GPXMRNKQLFVUES-TVKQRKNISA-N 0 0 444.619 8.714 40 30 IKEBRN CCCCCCCCCCCCC/C=C/[C@H](O)[C@H](CO)NC(=O)CCCCCCC ZINC000095099786 519985124 /nfs/dbraw/zinc/98/51/24/519985124.db2.gz APDLCSPGWPLYEQ-XRABSZPPSA-N 0 0 425.698 6.442 40 30 IKEBRN CCCCCCCCCCCCC/C=C/[C@@H](OCOC)[C@H](COCOC)OC(C)=O ZINC000095612023 519985403 /nfs/dbraw/zinc/98/54/03/519985403.db2.gz JOSCSIUPYUMNLZ-MVUKWZHESA-N 0 0 430.626 5.785 40 30 IKEBRN CCCCCCCCCCCCCCCCCCC(=O)N1CCC(C2CCOCC2)CC1 ZINC000059663446 519993848 /nfs/dbraw/zinc/99/38/48/519993848.db2.gz YFBHGXJENCZHMT-UHFFFAOYSA-N 0 0 449.764 8.303 40 30 IKEBRN CCCCCCCCCCCCCCCCCCNC(=S)NN1CCCCCC1 ZINC000104063487 519997275 /nfs/dbraw/zinc/99/72/75/519997275.db2.gz RMKGQOAECSBJSJ-UHFFFAOYSA-N 0 0 425.771 7.503 40 30 IKEBRN CCCCCCCCCCCCCCCCCOC(=O)c1nsc(Cl)c1Cl ZINC000098006132 519998430 /nfs/dbraw/zinc/99/84/30/519998430.db2.gz DJUNPNKSMNAFDA-UHFFFAOYSA-N 0 0 436.489 8.478 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccccc1OC ZINC000104348843 519999650 /nfs/dbraw/zinc/99/96/50/519999650.db2.gz PZGJHGVAFWYJJA-QYQHSDTDSA-N 0 0 433.706 6.975 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/c1ccccc1OC ZINC000104348845 519999821 /nfs/dbraw/zinc/99/98/21/519999821.db2.gz PZGJHGVAFWYJJA-HPNDGRJYSA-N 0 0 433.706 6.975 40 30 IKEBRN CCCCCCCCCCCC[NH2+][C@H](CC(=O)Nc1cc(Cl)ccc1OC)C(=O)[O-] ZINC000100908733 520009506 /nfs/dbraw/zinc/00/95/06/520009506.db2.gz NFCCBECISXFJHJ-HXUWFJFHSA-N 0 0 441.012 5.641 40 30 IKEBRN CCCCCCCCCCOc1ccc(C(C)=O)cc1OCCCCCCCCCC ZINC000082110898 520021838 /nfs/dbraw/zinc/02/18/38/520021838.db2.gz IRHSVVJSRVPFGC-UHFFFAOYSA-N 0 0 432.689 8.928 40 30 IKEBRN CCCCCCCCCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1 ZINC000100921854 520027647 /nfs/dbraw/zinc/02/76/47/520027647.db2.gz BGESOWPFWBGFQJ-VWLOTQADSA-N 0 0 443.587 6.549 40 30 IKEBRN CCCCCCCCOc1ccc(/C=C2\SC(=S)N(C(C)(C)C)C2=O)cc1OC ZINC000101011245 520044246 /nfs/dbraw/zinc/04/42/46/520044246.db2.gz FORTUOQSLQETCC-SILNSSARSA-N 0 0 435.655 6.434 40 30 IKEBRN CCCCCCOc1ccc(C=NN2C(=S)N=NC2c2ccccc2Cl)cc1OC ZINC000001783303 520102161 /nfs/dbraw/zinc/10/21/61/520102161.db2.gz YCZLZPMPYMUWSI-BUVRLJJBSA-N 0 0 444.988 5.737 40 30 IKEBRN CCC(C)N=Nc1nc2c(s1)c(Cl)c(NC(=O)c1ccc(Cl)cc1)cc2Cl ZINC000072229013 520183348 /nfs/dbraw/zinc/18/33/48/520183348.db2.gz CMWNTMNJIWVCBG-OPVMPGTRSA-N 0 0 441.771 6.707 40 30 IKEBRN CCC(C)N=Nc1nc2c(s1)c(Cl)c(NC(=O)c1ccccc1Cl)cc2Cl ZINC000072229014 520184179 /nfs/dbraw/zinc/18/41/79/520184179.db2.gz SFFKMJJPUOUQQV-OPVMPGTRSA-N 0 0 441.771 6.707 40 30 IKEBRN CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N\c1ccc(F)cc1 ZINC000012406307 520546376 /nfs/dbraw/zinc/54/63/76/520546376.db2.gz BNXHYJGYFILIDX-HVCOVSINSA-N 0 0 432.926 6.435 40 30 IKEBRN CCOc1cc(/C=N/NCc2ccc(OC)c(OC)c2)ccc1OCc1ccc(C)cc1 ZINC000020196499 520639216 /nfs/dbraw/zinc/63/92/16/520639216.db2.gz YSNFNOSSDCPSNI-OGLMXYFKSA-N 0 0 434.536 5.114 40 30 IKEBRN CCOc1cc(C=NNc2ccc(Br)cc2)cc(Br)c1OCC ZINC000013914255 520642661 /nfs/dbraw/zinc/64/26/61/520642661.db2.gz ZZFVBBVWTQAVBG-RGVLZGJSSA-N 0 0 442.151 5.455 40 30 IKEBRN CCOc1ccc(/N=C2/Sc3nc4c(C)cccc4cc3CN2C2CCCCC2)cc1 ZINC000012482493 520858152 /nfs/dbraw/zinc/85/81/52/520858152.db2.gz JUZCJUQFXHJUHO-CYYJNZCTSA-N 0 0 431.605 6.870 40 30 IKEBRN CCOc1ccc(/N=C2\SCCCN2C(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)cc1 ZINC000103032952 520861519 /nfs/dbraw/zinc/86/15/19/520861519.db2.gz HKSMESIJIHQPHN-PZDLKQIWSA-N 0 0 447.604 5.958 40 30 IKEBRN CCOc1ccc2[nH]c(C(=O)N3CCC(C(=O)/C=C(\Cl)c4ccccc4)CC3)cc2c1 ZINC000013997089 521286077 /nfs/dbraw/zinc/28/60/77/521286077.db2.gz MUTVPMOEKHULIO-PGMHBOJBSA-N 0 0 436.939 5.268 40 30 IKEBRN CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3-c3ccccc3)nc2c1 ZINC000035311705 521294367 /nfs/dbraw/zinc/29/43/67/521294367.db2.gz WRNMFXADFSTZQB-UHFFFAOYSA-N 0 0 439.540 5.903 40 30 IKEBRN CCOc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000008821107 521450085 /nfs/dbraw/zinc/45/00/85/521450085.db2.gz JFYRBLDGDFRGJG-DEDYPNTBSA-N 0 0 435.461 5.145 40 30 IKEBRN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1cc(C)ccc1C ZINC000013306284 521513336 /nfs/dbraw/zinc/51/33/36/521513336.db2.gz RIPRXVWHSDLYBK-BEIQUOEZSA-N 0 0 425.579 5.306 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OC)c3ccccc23)S/C1=N\c1ccc(C(=O)OC)cc1 ZINC000012630266 521515612 /nfs/dbraw/zinc/51/56/12/521515612.db2.gz CAQOZZZQCNHEAC-JUMVDPBBSA-N 0 0 446.528 5.259 40 30 IKEBRN CCOC(=O)c1ccc(NC(=S)N2/C(=N/c3ccc(Cl)cc3)SC[C@@H]2CC)cc1 ZINC000102909264 521517226 /nfs/dbraw/zinc/51/72/26/521517226.db2.gz QGCYUXZZCQTEAX-YQMDHOPXSA-N 0 0 448.013 5.729 40 30 IKEBRN CCSc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3)cc1)C1C(=O)C[C@@H](C)CC1=N2 ZINC000022608478 521786249 /nfs/dbraw/zinc/78/62/49/521786249.db2.gz HJPHNCLWTQHFJK-QMHKHESXSA-N 0 0 446.576 5.237 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)N1C ZINC000038203354 521803670 /nfs/dbraw/zinc/80/36/70/521803670.db2.gz FPTGZPMOTJGPMO-QMSJJHEMSA-N 0 0 447.516 5.959 40 30 IKEBRN COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1C#N ZINC000009197102 521990375 /nfs/dbraw/zinc/99/03/75/521990375.db2.gz GQCDBHAQALTRPB-UVHMKAGCSA-N 0 0 440.330 5.576 40 30 IKEBRN COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccccc1Cl ZINC000009195281 521990960 /nfs/dbraw/zinc/99/09/60/521990960.db2.gz OCYSPSWUDUFRQK-RPPGKUMJSA-N 0 0 449.765 6.358 40 30 IKEBRN COc1cc(/C=N/OCc2ccc(C)cc2)ccc1OCC(=O)Nc1c(C)cc(C)cc1C ZINC000012624743 521999506 /nfs/dbraw/zinc/99/95/06/521999506.db2.gz VXENSAUCKQGHJR-RWPZCVJISA-N 0 0 446.547 5.497 40 30 IKEBRN CN(C)c1ccc(/C=C2\c3ccccc3-c3ccc(/N=C/c4ccc([N+](=O)[O-])cc4)cc32)cc1 ZINC000018167786 522131404 /nfs/dbraw/zinc/13/14/04/522131404.db2.gz SRKKDHXJUSSFLO-TUSDEZAESA-N 0 0 445.522 6.981 40 30 IKEBRN CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000033909736 522132912 /nfs/dbraw/zinc/13/29/12/522132912.db2.gz NQVOCPLHSSXKQA-WMOWQXFYSA-N 0 0 444.516 5.469 40 30 IKEBRN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1cccc(OC)c1 ZINC000035973800 522235753 /nfs/dbraw/zinc/23/57/53/522235753.db2.gz RUCSBLGADDDLHI-HIIGZGGBSA-N 0 0 445.559 5.399 40 30 IKEBRN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H]1c1ccc(O)cc1 ZINC000035982120 522236968 /nfs/dbraw/zinc/23/69/68/522236968.db2.gz QHSIPLRFUZZWRP-KQUPGTECSA-N 0 0 431.532 5.096 40 30 IKEBRN COC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2c(Cl)cccc2Cl)c1C ZINC000009196527 522255364 /nfs/dbraw/zinc/25/53/64/522255364.db2.gz KQLLUELTLUTEGV-BRJLIKDPSA-N 0 0 430.335 5.311 40 30 IKEBRN COc1cc([C@@H]2c3c(ccc4ncccc43)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000013564296 522935501 /nfs/dbraw/zinc/93/55/01/522935501.db2.gz YSPGOAKYORYANZ-HSZRJFAPSA-N 0 0 444.531 5.461 40 30 IKEBRN COc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Oc2ccccc2)cc1 ZINC000101764691 523055671 /nfs/dbraw/zinc/05/56/71/523055671.db2.gz HUYXGJWAGCRFOS-AHWXRYGESA-N 0 0 426.516 6.241 40 30 IKEBRN CCn1cc(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)c(=O)c2cc(C(F)(F)F)ccc21 ZINC000022237063 523345564 /nfs/dbraw/zinc/34/55/64/523345564.db2.gz GSTDGGGYEZAPQD-UHFFFAOYSA-N 0 0 446.322 5.450 40 30 IKEBRN COc1ccc(/C=C\C(=O)OCCOc2ccc(/C=C/C(=O)c3ccccc3)cc2)cc1 ZINC000013406649 523432216 /nfs/dbraw/zinc/43/22/16/523432216.db2.gz OFMZLJFYBQURED-HMQSQOOHSA-N 0 0 428.484 5.227 40 30 IKEBRN COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@@]23C)cc1OC ZINC000033957357 523441672 /nfs/dbraw/zinc/44/16/72/523441672.db2.gz KJCBMTPITIADGL-LEWAZHMDSA-N 0 0 432.564 5.741 40 30 IKEBRN COc1ccc(/C=N/N=C2\CC[C@H]3[C@H]4CCc5cc(O)ccc5[C@@H]4CC[C@]23C)cc1OC ZINC000020572606 523441900 /nfs/dbraw/zinc/44/19/00/523441900.db2.gz KJCBMTPITIADGL-SONUWKRMSA-N 0 0 432.564 5.741 40 30 IKEBRN COc1ccc(N=CC2=CC(=[NH+][N-]c3cccc(C(F)(F)F)c3)C=CC2=O)cc1OC ZINC000013477996 523464960 /nfs/dbraw/zinc/46/49/60/523464960.db2.gz RGNWKOXWJDMBQD-AFDPEFSASA-N 0 0 429.398 6.594 40 30 IKEBRN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)c(OC)c1 ZINC000008820945 523467682 /nfs/dbraw/zinc/46/76/82/523467682.db2.gz JUWUUNUYMCKFNK-UDWIEESQSA-N 0 0 440.908 5.509 40 30 IKEBRN COc1ccc(C(=O)C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 ZINC000006239711 523562790 /nfs/dbraw/zinc/56/27/90/523562790.db2.gz ASNMIOZKMQRAME-HSZRJFAPSA-N 0 0 447.918 5.170 40 30 IKEBRN CCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCS/C2=N\c2ccccc2)cc1 ZINC000071195244 523861334 /nfs/dbraw/zinc/86/13/34/523861334.db2.gz OLEVIJGYKJZUEY-DQSJHHFOSA-N 0 0 438.600 6.338 40 30 IKEBRN COc1ccc(CC(=NNc2ccnc3cc(Cl)ccc32)c2ccc(OC)cc2)cc1 ZINC000013134331 523864899 /nfs/dbraw/zinc/86/48/99/523864899.db2.gz WUFHJUDJNIZOOS-RMLRFSFXSA-N 0 0 431.923 5.964 40 30 IKEBRN CCc1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2cc(OC)ccc2OC)cc1 ZINC000066088144 523961820 /nfs/dbraw/zinc/96/18/20/523961820.db2.gz HNGKGWBBXQVTMR-XMMPIXPASA-N 0 0 443.499 5.049 40 30 IKEBRN COc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC ZINC000020195778 524017899 /nfs/dbraw/zinc/01/78/99/524017899.db2.gz NYEQMWNKGOKUAI-JFLMPSFJSA-N 0 0 440.927 5.069 40 30 IKEBRN COc1ccc(CN2Cc3cc4cccc(C)c4nc3S/C2=N/Cc2ccccc2)cc1 ZINC000012482519 524043489 /nfs/dbraw/zinc/04/34/89/524043489.db2.gz UFPKFUQOEIPEPD-BYYHNAKLSA-N 0 0 439.584 6.216 40 30 IKEBRN CCc1ccc2nc(NCCCNC(=O)Nc3ccccc3C(F)(F)F)c(C#N)cc2c1 ZINC000035311728 524061043 /nfs/dbraw/zinc/06/10/43/524061043.db2.gz WCFXKRRCLUQMIJ-UHFFFAOYSA-N 0 0 441.457 5.311 40 30 IKEBRN COc1cccc([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c1OC ZINC000013567897 524114811 /nfs/dbraw/zinc/11/48/11/524114811.db2.gz DNOKZYVOVQIVTJ-KRWDZBQOSA-N 0 0 445.437 5.250 40 30 IKEBRN COc1cccc([C@@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c1OC ZINC000013567937 524114895 /nfs/dbraw/zinc/11/48/95/524114895.db2.gz QJAVAHWLFPIXFY-KRWDZBQOSA-N 0 0 425.912 5.193 40 30 IKEBRN Cc1cccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c1 ZINC000100306359 524153754 /nfs/dbraw/zinc/15/37/54/524153754.db2.gz NBDMVMSMZLRAIY-XJBRANNNSA-N 0 0 437.568 6.323 40 30 IKEBRN COc1cccc([C@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000013567794 524172974 /nfs/dbraw/zinc/17/29/74/524172974.db2.gz KLYMENMPORLGTF-MRXNPFEDSA-N 0 0 439.939 5.521 40 30 IKEBRN Cc1ccc(C)c([C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C2(C#N)C#N)c1 ZINC000008742250 524212778 /nfs/dbraw/zinc/21/27/78/524212778.db2.gz OQZASONRRBHPCD-PVHODMMVSA-N 0 0 429.523 5.588 40 30 IKEBRN COc1ccccc1/N=C1\SCCCN1C(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000103032972 524328200 /nfs/dbraw/zinc/32/82/00/524328200.db2.gz WJQBTRQHJWKXAD-NPZTXGTLSA-N 0 0 433.577 5.568 40 30 IKEBRN COc1ccccc1CN1Cc2cc3cc(C)c(C)cc3nc2S/C1=N/C[C@H]1CCCO1 ZINC000013562199 524458064 /nfs/dbraw/zinc/45/80/64/524458064.db2.gz BSASZMQBWNRELJ-PLFNIDSXSA-N 0 0 447.604 5.503 40 30 IKEBRN Cc1cccc(OC(=O)[C@@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1C ZINC000068573681 524706057 /nfs/dbraw/zinc/70/60/57/524706057.db2.gz PBULMHAPFJXELA-SNVBAGLBSA-N 0 0 434.201 5.244 40 30 IKEBRN COc1ccc(OC(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C\c3ccccc3)C2)cc1 ZINC000017951722 524781521 /nfs/dbraw/zinc/78/15/21/524781521.db2.gz RTUXBVLRCHGASV-SWRBISBUSA-N 0 0 425.484 5.246 40 30 IKEBRN COc1ccc(OC)c(-c2csc(N=NC(Cc3ccccc3)Cc3ccccc3)n2)c1 ZINC000045068177 524795670 /nfs/dbraw/zinc/79/56/70/524795670.db2.gz UDDVDDOQEKNVET-UHFFFAOYSA-N 0 0 443.572 6.081 40 30 IKEBRN COc1ccc(OC)c(/C=C2/S/C(=N/c3ccccc3)N(CCc3ccccc3)C2=O)c1 ZINC000100233576 524801369 /nfs/dbraw/zinc/80/13/69/524801369.db2.gz VDFSRGUKTMXNFI-CFEZCKOSSA-N 0 0 444.556 5.551 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3cc4c(cc3Cl)N(C)C(C)(C)C[C@@H]4C)cc2)cc1 ZINC000198086389 524992193 /nfs/dbraw/zinc/99/21/93/524992193.db2.gz OKDGHXJVDIGUBD-OJPXDDBDSA-N 0 0 448.994 7.614 40 30 IKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000066091508 525020368 /nfs/dbraw/zinc/02/03/68/525020368.db2.gz AVRJTFYNNVEQIR-XMMPIXPASA-N 0 0 448.994 6.200 40 30 IKEBRN COc1ccc([C@@H]2C/C(=N/c3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 ZINC000100349586 525227299 /nfs/dbraw/zinc/22/72/99/525227299.db2.gz SPBGJDSPDBEMTN-UPMFUBJASA-N 0 0 425.315 6.253 40 30 IKEBRN Cc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 ZINC000000676290 525230521 /nfs/dbraw/zinc/23/05/21/525230521.db2.gz DGOIDBMIVMSBTM-QHCPKHFHSA-N 0 0 434.967 5.891 40 30 IKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000013567795 525235821 /nfs/dbraw/zinc/23/58/21/525235821.db2.gz IJWHQPUTPTUBHP-KRWDZBQOSA-N 0 0 439.939 5.521 40 30 IKEBRN C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2c1csc(-c2ccccc2)n1 ZINC000013597268 525352533 /nfs/dbraw/zinc/35/25/33/525352533.db2.gz DIDVQQHUMYJCEX-CUVCNJFMSA-N 0 0 447.644 6.396 40 30 in-vitro IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Br)cc1)C2=O ZINC000118916330 525352721 /nfs/dbraw/zinc/35/27/21/525352721.db2.gz CTGFFXZZHKKDLF-HGPOAJNESA-N 0 0 441.453 7.444 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Br)c1)C2=O ZINC000118916223 525352932 /nfs/dbraw/zinc/35/29/32/525352932.db2.gz OMJIZRMQBBHMOY-GYIWABLXSA-N 0 0 441.453 7.444 40 30 IKEBRN COc1ccc([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c(OC)c1 ZINC000013567890 525403257 /nfs/dbraw/zinc/40/32/57/525403257.db2.gz QVZOWCJZXCSKDJ-GOSISDBHSA-N 0 0 445.437 5.250 40 30 IKEBRN COc1ccc([C@H]2CC(=O)N(c3ccccc3Cl)C3=C2C(=O)CC(C)(C)C3)c(OC)c1 ZINC000013567796 525403551 /nfs/dbraw/zinc/40/35/51/525403551.db2.gz IJWHQPUTPTUBHP-QGZVFWFLSA-N 0 0 439.939 5.521 40 30 IKEBRN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)c1ccc(Cl)cc1 ZINC000016268130 525501802 /nfs/dbraw/zinc/50/18/02/525501802.db2.gz MGPUFQSCVJRWDJ-LJQANCHMSA-N 0 0 429.734 6.863 40 30 IKEBRN Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1Cc1ccccc1C ZINC000009197827 525519452 /nfs/dbraw/zinc/51/94/52/525519452.db2.gz FYIURDPGVYRUEW-CCVNUDIWSA-N 0 0 436.386 6.737 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@@]32C)cc1 ZINC000253617212 525625221 /nfs/dbraw/zinc/62/52/21/525625221.db2.gz NVFBLCBUSIGTCH-FNSTZISHSA-N 0 0 444.637 5.681 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@H]2CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 ZINC000071973586 525625264 /nfs/dbraw/zinc/62/52/64/525625264.db2.gz LQBTZXLGHXAZEI-FRSCJGFNSA-N 0 0 442.621 5.601 40 30 IKEBRN Cc1cc2cc(-c3ccccc3)n(C)c2cc1NC(=CC(=O)c1ccccc1)c1ccccc1 ZINC000035325073 525633120 /nfs/dbraw/zinc/63/31/20/525633120.db2.gz TUVCEDLZQUEPOC-HFTWOUSFSA-N 0 0 442.562 7.490 40 30 IKEBRN Cc1cc2cc3c(nc2cc1C)S/C(=N/CC(C)C)N(Cc1ccc2c(c1)OCO2)C3 ZINC000012879945 525647960 /nfs/dbraw/zinc/64/79/60/525647960.db2.gz UJKPTCAGMCPBON-OCEACIFDSA-N 0 0 433.577 5.700 40 30 IKEBRN C[C@@H]1[C@@H]2[C@@H](C[C@@H]3[C@H]4CC(=O)C5=CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]32C)O[C@@]12CC[C@H](C)CO2 ZINC000253500938 525674556 /nfs/dbraw/zinc/67/45/56/525674556.db2.gz BHUDKWOFZIXCDR-VPVBJELHSA-N 0 0 426.597 5.101 40 30 IKEBRN COc1cccc(/C=N/C[C@@]2(O)CC[C@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@H]4CC[C@@]32C)c1O ZINC000118918853 525770370 /nfs/dbraw/zinc/77/03/70/525770370.db2.gz PFLCXOYUUHWAGR-QPERRTFZSA-N 0 0 439.640 5.984 40 30 IKEBRN Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2C)cc1C ZINC000016362645 525967860 /nfs/dbraw/zinc/96/78/60/525967860.db2.gz CDSLPVZVKDXMAX-VMCVTNGESA-N 0 0 429.563 7.950 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1 ZINC000008820805 525968254 /nfs/dbraw/zinc/96/82/54/525968254.db2.gz KPPYNEUTETWXIX-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN Cc1cc(-c2ccc(/C=N/c3c(-c4ccco4)nc4ccccn43)o2)c([N+](=O)[O-])cc1C ZINC000101286116 526038948 /nfs/dbraw/zinc/03/89/48/526038948.db2.gz VDNACYNCETZKJD-AFUMVMLFSA-N 0 0 426.432 6.130 40 30 IKEBRN Cc1cc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)c(C)n1C1CCCC1 ZINC000012559275 526096318 /nfs/dbraw/zinc/09/63/18/526096318.db2.gz ACPQMLMLGRDRSJ-FSJBWODESA-N 0 0 443.414 6.552 40 30 IKEBRN Cc1ccc2cc3c(nc2c1C)S/C(=N/CC(C)C)N(Cc1ccc2c(c1)OCO2)C3 ZINC000012880002 526233799 /nfs/dbraw/zinc/23/37/99/526233799.db2.gz ZGAOVEPDPBXNOH-OCEACIFDSA-N 0 0 433.577 5.700 40 30 IKEBRN Fc1ccc(-c2nn(-c3ccccc3)cc2CN2CCS/C2=N\c2ccccc2)cc1 ZINC000071195242 526317218 /nfs/dbraw/zinc/31/72/18/526317218.db2.gz PEVWOGOTJHOQDC-RFBIWTDZSA-N 0 0 428.536 5.915 40 30 IKEBRN Oc1ccccc1CN=Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1 ZINC000013304448 526369543 /nfs/dbraw/zinc/36/95/43/526369543.db2.gz ZCAMFPAAPBLIEH-MFKUBSTISA-N 0 0 445.320 5.725 40 30 IKEBRN Oc1ccccc1/C=N/[C@H]1c2ccccc2O[C@]2(/N=C/c3ccccc3O)CCCC[C@H]12 ZINC000012375288 526370659 /nfs/dbraw/zinc/37/06/59/526370659.db2.gz PPJFANUQDXSZTQ-MFSJMSLOSA-N 0 0 426.516 5.656 40 30 IKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(-c2ccccc2)cc1 ZINC000002340144 526390294 /nfs/dbraw/zinc/39/02/94/526390294.db2.gz QWNPCODHPVHDLX-CFRMEGHHSA-N 0 0 425.344 6.090 40 30 IKEBRN Fc1ccccc1-c1nc(N=NCc2ccc3nccnc3c2)nc2ccc(Cl)cc21 ZINC000046085367 526406742 /nfs/dbraw/zinc/40/67/42/526406742.db2.gz JWWNPSMTYBYVQC-XODNFHPESA-N 0 0 428.858 5.479 40 30 IKEBRN O=C(O[C@@]1(c2ccccc2)CC(=O)C(c2ccccc2)=C(c2ccccc2)O1)c1ccccc1 ZINC000016954377 526435833 /nfs/dbraw/zinc/43/58/33/526435833.db2.gz SEBWPFLXZNBMHF-SSEXGKCCSA-N 0 0 446.502 6.254 40 30 IKEBRN N#CN=C(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000005810856 526489400 /nfs/dbraw/zinc/48/94/00/526489400.db2.gz ISTIRUDUMPUSKM-UHFFFAOYSA-N 0 0 444.582 6.228 40 30 IKEBRN N#C[C@@H](C(=O)CCCC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000001614000 526490057 /nfs/dbraw/zinc/49/00/57/526490057.db2.gz BQXODNMEUYOOAQ-CQSZACIVSA-N 0 0 444.145 6.285 40 30 IKEBRN c1ccc([C@H]2C/C(=N/N=C3\C[C@@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 ZINC000013424710 526497235 /nfs/dbraw/zinc/49/72/35/526497235.db2.gz YRRHIUDRTJZIPK-UKZQAQFASA-N 0 0 444.534 6.928 40 30 IKEBRN c1ccc([C@H]2C/C(=N\N=C3\C[C@@H](c4ccccc4)Oc4ccccc43)c3ccccc3O2)cc1 ZINC000013424709 526497925 /nfs/dbraw/zinc/49/79/25/526497925.db2.gz YRRHIUDRTJZIPK-VQUOBEOXSA-N 0 0 444.534 6.928 40 30 IKEBRN N#C[C@H](N=C(c1ccccc1)c1ccccc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000016451208 526510365 /nfs/dbraw/zinc/51/03/65/526510365.db2.gz LVIHSCNQUPCKOS-XTEPFMGCSA-N 0 0 435.958 6.923 40 30 IKEBRN N#Cc1cccc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)c1 ZINC000035425499 526703679 /nfs/dbraw/zinc/70/36/79/526703679.db2.gz IIZVUBZFOVSLTE-QFIPXVFZSA-N 0 0 429.524 5.052 40 30 biogenic,in-vitro IKEBRN Clc1ccc(-c2ccc(/C=N/c3cccc(-c4nc5ccccc5o4)c3)o2)cc1Cl ZINC000014920792 526933069 /nfs/dbraw/zinc/93/30/69/526933069.db2.gz FWJNFVFWEXLLPN-MZJWZYIUSA-N 0 0 433.294 7.812 40 30 IKEBRN O=C1/C(=N/N=C2c3ccccc3-c3ccccc32)c2ccccc2N1Cc1ccccc1Cl ZINC000020495100 526948242 /nfs/dbraw/zinc/94/82/42/526948242.db2.gz OXYQGQVACAPRJP-TVKQRKNISA-N 0 0 447.925 6.109 40 30 IKEBRN O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2c1ccc(Cl)cc1Cl ZINC000013567954 526965921 /nfs/dbraw/zinc/96/59/21/526965921.db2.gz BYLFWEVXMCQIKO-CQSZACIVSA-N 0 0 430.287 5.250 40 30 IKEBRN Clc1cccc(Cl)c1CN/N=C/c1c(OCc2ccccc2)ccc2ccccc21 ZINC000009197623 526978775 /nfs/dbraw/zinc/97/87/75/526978775.db2.gz KVJLRJWCTLDQNM-RWPZCVJISA-N 0 0 435.354 6.849 40 30 IKEBRN O=C1N/C(=N/c2ccc(Br)cc2)S/C1=C/c1cccc(Br)c1 ZINC000035623330 527040937 /nfs/dbraw/zinc/04/09/37/527040937.db2.gz XDVQKYZJCLHCDN-NTEUORMPSA-N 0 0 438.144 5.103 40 30 IKEBRN O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 ZINC000008820791 527041569 /nfs/dbraw/zinc/04/15/69/527041569.db2.gz CUGHCBTWOKONRU-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(-c2ccc(Br)cc2)o1 ZINC000008821035 527041995 /nfs/dbraw/zinc/04/19/95/527041995.db2.gz MPHUNDVQCKBKLF-WOJGMQOQSA-N 0 0 443.297 5.740 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccc(Br)cc3)cc2)cc1 ZINC000083312017 527360479 /nfs/dbraw/zinc/36/04/79/527360479.db2.gz SFABHDSECDMFNS-XKZIYDEJSA-N 0 0 426.270 5.382 40 30 IKEBRN Cc1nn(-c2cccc(C(F)(F)F)c2)c(Cl)c1C=NN=c1[nH]c2ccccc2s1 ZINC000012566289 527535041 /nfs/dbraw/zinc/53/50/41/527535041.db2.gz ZRDJZFZIGCEBIJ-YSURURNPSA-N 0 0 435.862 5.909 40 30 IKEBRN O=C(/N=C1\N=C2C=CC=CN2Cc2ccccc21)c1cc(-c2ccccc2)nc2ccccc21 ZINC000013304288 527661741 /nfs/dbraw/zinc/66/17/41/527661741.db2.gz OITOCPUTIHNPFX-BLCKFSMSSA-N 0 0 440.506 5.786 40 30 IKEBRN O=C(/N=C1\c2ccccc2CN1c1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000012524117 527662500 /nfs/dbraw/zinc/66/25/00/527662500.db2.gz OZFDOSFYCINZRR-HIXSDJFHSA-N 0 0 425.713 5.710 40 30 IKEBRN C=C(C)[C@@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253589463 574421524 /nfs/dbraw/zinc/42/15/24/574421524.db2.gz FVWJYYTZTCVBKE-LIWUMPQWSA-N 0 0 442.728 6.997 40 30 endogenous,in-man IKEBRN C=C(C)[C@H]1CC[C@@]2(CO)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253589460 574421527 /nfs/dbraw/zinc/42/15/27/574421527.db2.gz FVWJYYTZTCVBKE-AMXZUDFWSA-N 0 0 442.728 6.997 40 30 endogenous,in-man IKEBRN CC[C@@H](C)N1C(=O)[C@@H](CC(=O)Nc2ccccc2)S/C1=N\c1ccc(OC(F)F)cc1 ZINC000009373396 555567020 /nfs/dbraw/zinc/56/70/20/555567020.db2.gz NSMRBIFQENEVOQ-FTPVDGMKSA-N 0 0 447.507 5.047 40 30 IKEBRN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1 ZINC000001201593 555678802 /nfs/dbraw/zinc/67/88/02/555678802.db2.gz JESQQNXVXJKARR-YNSGVOSJSA-N 0 0 433.523 5.529 40 30 IKEBRN Fc1cccc(-c2nc3cc(/N=C/c4cc5c(cc4Br)OCO5)ccc3o2)c1 ZINC000001434982 555696862 /nfs/dbraw/zinc/69/68/62/555696862.db2.gz BPMVRUHZIQKVBE-YSURURNPSA-N 0 0 439.240 5.876 40 30 IKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@]3(C)CC[C@H]21 ZINC000010272334 555696875 /nfs/dbraw/zinc/69/68/75/555696875.db2.gz SDYMIDMUFXWPCF-IZLLSAALSA-N 0 0 438.514 6.415 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2Cl)n1/N=C/c1ccc(Cl)cc1Cl ZINC000001575306 555703936 /nfs/dbraw/zinc/70/39/36/555703936.db2.gz QLLFZAVVOKHSGA-BRJLIKDPSA-N 0 0 428.706 5.906 40 30 IKEBRN CCCCCCCCOc1ccc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)cc1 ZINC000001838200 555719723 /nfs/dbraw/zinc/71/97/23/555719723.db2.gz DEGBJJIGYOULQQ-OQKWZONESA-N 0 0 426.557 6.457 40 30 IKEBRN COc1cc(C=NNc2ccccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408545352 555795008 /nfs/dbraw/zinc/79/50/08/555795008.db2.gz YDXRPGIYXBUULO-TURZUDJPSA-N 0 0 443.547 5.346 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(Sc2ccc(Cl)cc2)cc1 ZINC000002828764 555831587 /nfs/dbraw/zinc/83/15/87/555831587.db2.gz TUXAWWFWXXNLRB-DEDYPNTBSA-N 0 0 440.952 6.522 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3ccccc3I)cc2)cc1 ZINC000408550553 555866438 /nfs/dbraw/zinc/86/64/38/555866438.db2.gz HWJJECPNMFNYRG-HYARGMPZSA-N 0 0 429.257 5.843 40 30 IKEBRN Clc1ccccc1Oc1ccc(/N=C/c2ccccc2I)cc1 ZINC000408552414 555879068 /nfs/dbraw/zinc/87/90/68/555879068.db2.gz TWIRKQXRQAABOH-LPYMAVHISA-N 0 0 433.676 6.488 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000408559615 555899271 /nfs/dbraw/zinc/89/92/71/555899271.db2.gz ACGWOEMVRIGDQC-UHFFFAOYSA-N 0 0 448.979 5.592 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)N[C@@H](C)c1ccccc1 ZINC000408560220 555900065 /nfs/dbraw/zinc/90/00/65/555900065.db2.gz FGPQHKYWYCFWDZ-IBGZPJMESA-N 0 0 442.588 5.178 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)Nc1ccc(C)cc1 ZINC000408561966 555904967 /nfs/dbraw/zinc/90/49/67/555904967.db2.gz MDLIGCGSNRAULA-UHFFFAOYSA-N 0 0 428.561 5.247 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccccc3Cl)c3ccccc23)c([N+](=O)[O-])c1 ZINC000408566421 555909400 /nfs/dbraw/zinc/90/94/00/555909400.db2.gz GHHVAKGLOLJQCL-WYMPLXKRSA-N 0 0 449.854 5.605 40 30 IKEBRN Cc1cc(C)c(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)c(C)c1 ZINC000408574962 555925392 /nfs/dbraw/zinc/92/53/92/555925392.db2.gz HCZWABMTBWPHPS-UHFFFAOYSA-N 0 0 425.484 5.092 40 30 IKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000408588319 555938852 /nfs/dbraw/zinc/93/88/52/555938852.db2.gz BERWQVQHAJIMHU-BRJLIKDPSA-N 0 0 444.846 5.526 40 30 IKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@H]3c3ccc(C(C)(C)C)cc3)c2c1 ZINC000035164837 555942406 /nfs/dbraw/zinc/94/24/06/555942406.db2.gz OQHAFAPLAMIOPA-XMMPIXPASA-N 0 0 446.547 5.001 40 30 IKEBRN COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(C)=O)[C@@H]3c3ccc(C(C)(C)C)cc3)c2c1 ZINC000035164839 555942447 /nfs/dbraw/zinc/94/24/47/555942447.db2.gz OQHAFAPLAMIOPA-DEOSSOPVSA-N 0 0 446.547 5.001 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c1 ZINC000408593091 555954461 /nfs/dbraw/zinc/95/44/61/555954461.db2.gz OYBTZYASZKRGGM-WYMPLXKRSA-N 0 0 431.275 6.031 40 30 IKEBRN C#CCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OCC ZINC000408606598 555967007 /nfs/dbraw/zinc/96/70/07/555967007.db2.gz IWQBIJYKVFTVIS-UHFFFAOYSA-N 0 0 429.141 5.779 40 30 IKEBRN Clc1ccccc1/C=N/c1cc2c(cc1/C=C/c1ccccc1)C[C@@H](c1ccccc1)N2 ZINC000004235256 555977845 /nfs/dbraw/zinc/97/78/45/555977845.db2.gz LXELOHAFCYYCOU-SKWOMLIGSA-N 0 0 434.970 7.970 40 30 IKEBRN CC[C@@H](C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC)cc1)C1CCCCC1 ZINC000004265978 555980461 /nfs/dbraw/zinc/98/04/61/555980461.db2.gz LTJAWEGODMRXLB-XMVGPFMNSA-N 0 0 440.500 5.934 40 30 IKEBRN C#CCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1Br ZINC000408610693 555980796 /nfs/dbraw/zinc/98/07/96/555980796.db2.gz RKIIKFRQDVPLBE-UHFFFAOYSA-N 0 0 447.529 5.628 40 30 IKEBRN CCOc1cc(/C=C/C(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000408618161 555981894 /nfs/dbraw/zinc/98/18/94/555981894.db2.gz CJDHDQAQBWRDOQ-XYOKQWHBSA-N 0 0 427.327 6.867 40 30 IKEBRN CCOC(=O)c1c2c(sc1NC(=NCc1ccccc1)NC(=O)C(C)(C)C)CCCC2 ZINC000004293401 555983745 /nfs/dbraw/zinc/98/37/45/555983745.db2.gz HYIDLSDWMRMGEV-UHFFFAOYSA-N 0 0 441.597 5.584 40 30 IKEBRN c1ccc2c(c1)Cc1cc(N=C3CCC(=Nc4ccc5c(c4)Cc4ccccc4-5)CC3)ccc1-2 ZINC000004428442 555994553 /nfs/dbraw/zinc/99/45/53/555994553.db2.gz QANHLHJPIPVULF-UHFFFAOYSA-N 0 0 438.574 8.248 40 30 IKEBRN Cn1c2ccccc2nc1NN=Cc1cccc(OCc2ccc(Br)cc2)c1 ZINC000408658429 556035769 /nfs/dbraw/zinc/03/57/69/556035769.db2.gz OCEGAFFFCDIJFR-ZVHZXABRSA-N 0 0 435.325 5.361 40 30 IKEBRN CCCCCCCCCCCC(=O)Nc1ccc(N2C(=O)[C@@H]3CC=C[C@H](C)[C@@H]3C2=O)cc1 ZINC000408668293 556053652 /nfs/dbraw/zinc/05/36/52/556053652.db2.gz DLKZUBPHBDKNIR-ZWSUVBHBSA-N 0 0 438.612 6.248 40 30 IKEBRN COc1ccc(C(=O)/C=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)cc1 ZINC000408667371 556055911 /nfs/dbraw/zinc/05/59/11/556055911.db2.gz VKFORWAOUGARHZ-UKTHLTGXSA-N 0 0 436.338 6.901 40 30 IKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1ccc(Cl)cc1Cl ZINC000005492550 556056568 /nfs/dbraw/zinc/05/65/68/556056568.db2.gz OTRHENSUVFJNDC-LGFPMUJSSA-N 0 0 444.233 8.752 40 30 IKEBRN CC(C)(C)C(=O)C=C(O)C(=CC(=O)C(C)(C)C)NN=C(c1ccccc1)c1ccccc1 ZINC000005544622 556058360 /nfs/dbraw/zinc/05/83/60/556058360.db2.gz NFTNSKMJKCHGQV-SVJWQLCWSA-N 0 0 432.564 5.585 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NC(c2ccc(Cl)cc2)c2ccccc2Cl)c([N+](=O)[O-])c1 ZINC000005699756 556063258 /nfs/dbraw/zinc/06/32/58/556063258.db2.gz DULWYMBTCVYVBN-NMWGTECJSA-N 0 0 431.235 5.674 40 30 IKEBRN CCCCCCC(=O)/C=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 ZINC000005706539 556063265 /nfs/dbraw/zinc/06/32/65/556063265.db2.gz UGWXMECXTYMGSS-ZPHPHTNESA-N 0 0 428.572 7.397 40 30 IKEBRN COc1ccc(OC(=O)N2C/C(=C\c3ccccc3)C(=O)/C(=C/c3ccccc3)C2)cc1 ZINC000005889698 556068377 /nfs/dbraw/zinc/06/83/77/556068377.db2.gz RTUXBVLRCHGASV-LKNRODPVSA-N 0 0 425.484 5.246 40 30 IKEBRN Cc1cc(/C=C/C(=O)c2ccc(C)cc2)c(C)n1-c1ccccc1I ZINC000408692270 556094957 /nfs/dbraw/zinc/09/49/57/556094957.db2.gz IWTULQZKGQJISY-OUKQBFOZSA-N 0 0 441.312 5.903 40 30 IKEBRN CCOc1cc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)ccc1O ZINC000408722591 556149530 /nfs/dbraw/zinc/14/95/30/556149530.db2.gz LLTWJXPJMJFVCU-MFKUBSTISA-N 0 0 445.500 6.240 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(Cl)cc3)S2)c(C)c1 ZINC000408723800 556151232 /nfs/dbraw/zinc/15/12/32/556151232.db2.gz ORZOJSYAOUOVOI-OEAKJJBVSA-N 0 0 448.975 6.427 40 30 IKEBRN CCOc1ccccc1/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl ZINC000408734269 556201013 /nfs/dbraw/zinc/20/10/13/556201013.db2.gz VXWOJNWGSCTVRE-CVKSISIWSA-N 0 0 435.932 6.923 40 30 IKEBRN O=C1N/C(=N/c2ccccc2Br)S/C1=C/c1cccc(Br)c1 ZINC000035647514 556204333 /nfs/dbraw/zinc/20/43/33/556204333.db2.gz HMYBBNURYPQFFN-NTEUORMPSA-N 0 0 438.144 5.103 40 30 IKEBRN Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4ccc(C)cc4C)NC3=O)cc2)cc1 ZINC000008820756 556221002 /nfs/dbraw/zinc/22/10/02/556221002.db2.gz XNJUTVSOACWFLQ-IWIPYMOSSA-N 0 0 428.557 6.082 40 30 IKEBRN CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)cc1 ZINC000008820923 556221332 /nfs/dbraw/zinc/22/13/32/556221332.db2.gz DZKYQKYWUIFBER-PXLXIMEGSA-N 0 0 436.964 6.834 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)c(C)c1 ZINC000008820787 556221352 /nfs/dbraw/zinc/22/13/52/556221352.db2.gz NQIZKYKTMCHTCX-UCQKPKSFSA-N 0 0 448.975 6.427 40 30 IKEBRN CCCCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 ZINC000008820942 556221381 /nfs/dbraw/zinc/22/13/81/556221381.db2.gz BUUCRQMEIVNDOR-PXLXIMEGSA-N 0 0 436.964 6.834 40 30 IKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820960 556221388 /nfs/dbraw/zinc/22/13/88/556221388.db2.gz WXGLCXNNOGAJEL-HYARGMPZSA-N 0 0 430.916 6.645 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 ZINC000008820992 556221631 /nfs/dbraw/zinc/22/16/31/556221631.db2.gz HCSVOGICNPNFHN-YBFXNURJSA-N 0 0 429.328 6.453 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)c(Cl)c2)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008821095 556221656 /nfs/dbraw/zinc/22/16/56/556221656.db2.gz CFAGCRWORMONID-VCHYOVAHSA-N 0 0 443.843 5.539 40 30 IKEBRN O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000008821007 556221674 /nfs/dbraw/zinc/22/16/74/556221674.db2.gz SBRMDVPGUCOEJU-VCHYOVAHSA-N 0 0 433.291 6.284 40 30 IKEBRN O=C1N/C(=N/c2cccc3ccccc32)S/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000008821100 556221685 /nfs/dbraw/zinc/22/16/85/556221685.db2.gz AYVRCENRTDDICG-HYARGMPZSA-N 0 0 441.468 5.900 40 30 IKEBRN O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000008821128 556221905 /nfs/dbraw/zinc/22/19/05/556221905.db2.gz DONUZBMWKFLWLE-HYARGMPZSA-N 0 0 441.468 5.900 40 30 IKEBRN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 ZINC000008821136 556221931 /nfs/dbraw/zinc/22/19/31/556221931.db2.gz HEAQJOHYJCQATK-NVNXTCNLSA-N 0 0 440.830 5.037 40 30 IKEBRN O=C1N/C(=N/c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1cccc2ccccc12 ZINC000008821205 556222134 /nfs/dbraw/zinc/22/21/34/556222134.db2.gz RCEBYMMGKVZXEI-VCHYOVAHSA-N 0 0 432.854 6.404 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)c(C)c1 ZINC000008821227 556222153 /nfs/dbraw/zinc/22/21/53/556222153.db2.gz NYEDDSBHJOJRAR-YBFXNURJSA-N 0 0 443.355 6.762 40 30 IKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S1 ZINC000008821216 556222159 /nfs/dbraw/zinc/22/21/59/556222159.db2.gz PAXLTIQEYKBFMG-WOJGMQOQSA-N 0 0 429.328 6.453 40 30 IKEBRN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1 ZINC000008821222 556222168 /nfs/dbraw/zinc/22/21/68/556222168.db2.gz QIXZDVQRUWVRAU-WOJGMQOQSA-N 0 0 445.327 6.154 40 30 IKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccccc1Cl ZINC000408750535 556227771 /nfs/dbraw/zinc/22/77/71/556227771.db2.gz OPHURWQKSCMZQO-MSXFZWOLSA-N 0 0 426.860 5.067 40 30 IKEBRN Clc1ccccc1Cn1cc(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc21 ZINC000009196037 556254381 /nfs/dbraw/zinc/25/43/81/556254381.db2.gz UHMFJIKPFOTVOL-KKMKTNMSSA-N 0 0 442.777 6.774 40 30 IKEBRN CCOc1cc(/C=N/NCc2c(Cl)cccc2Cl)cc(Br)c1OCC ZINC000009195378 556254403 /nfs/dbraw/zinc/25/44/03/556254403.db2.gz RRMVQDNRMUSSQQ-LSHDLFTRSA-N 0 0 446.172 5.677 40 30 IKEBRN Cc1cc(/C=N/NCc2c(Cl)cccc2Cl)c(C)n1-c1cc([N+](=O)[O-])ccc1C ZINC000009196582 556254660 /nfs/dbraw/zinc/25/46/60/556254660.db2.gz FJERBSZFJZIIIM-BHGWPJFGSA-N 0 0 431.323 5.741 40 30 IKEBRN CCOC(=O)c1ccccc1-n1c(C)cc(/C=N/NCc2c(Cl)cccc2Cl)c1C ZINC000009196533 556254719 /nfs/dbraw/zinc/25/47/19/556254719.db2.gz VNQRPXCICJYUHY-LGJNPRDNSA-N 0 0 444.362 5.701 40 30 IKEBRN N#Cc1ccc(COc2ccc(Cl)cc2/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009196871 556254738 /nfs/dbraw/zinc/25/47/38/556254738.db2.gz KVYCBUPXTVRCEJ-KKMKTNMSSA-N 0 0 444.749 6.221 40 30 IKEBRN COc1cc(/C=N/NCc2c(Cl)cccc2Cl)ccc1OCc1ccc(C#N)cc1 ZINC000009197122 556255303 /nfs/dbraw/zinc/25/53/03/556255303.db2.gz IQSXORVBJSFBEQ-UVHMKAGCSA-N 0 0 440.330 5.576 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)cc(Br)c1OCC ZINC000009233676 556262443 /nfs/dbraw/zinc/26/24/43/556262443.db2.gz CIMKPWCYDIVTHT-SFQUDFHCSA-N 0 0 447.354 5.138 40 30 IKEBRN Cc1cc(/C=N/NC(=S)Nc2cccc(C)c2C)c(C)n1-c1ccc(F)c(Cl)c1 ZINC000009262062 556269219 /nfs/dbraw/zinc/26/92/19/556269219.db2.gz FWTFBSYEDMQBGB-BRJLIKDPSA-N 0 0 428.964 5.824 40 30 IKEBRN COCCN1C(=O)/C(=C\c2c(OC)ccc3ccc(OC)cc32)S/C1=N\c1ccccc1 ZINC000009311581 556280007 /nfs/dbraw/zinc/28/00/07/556280007.db2.gz LPEWYPMWXQNSGF-OQNHBUHUSA-N 0 0 448.544 5.107 40 30 IKEBRN CC(=NNc1nnc(SCCC(=O)Nc2c(Cl)cccc2Cl)[nH]1)c1ccccc1 ZINC000009695147 556306670 /nfs/dbraw/zinc/30/66/70/556306670.db2.gz ONXCWNDVLMEGPY-WYMPLXKRSA-N 0 0 449.367 5.069 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(OCC)c1OCC ZINC000214634632 556338315 /nfs/dbraw/zinc/33/83/15/556338315.db2.gz JRTNETBPNNYSGE-PXLXIMEGSA-N 0 0 437.561 5.757 40 30 IKEBRN C(=N/c1ccc(-c2cc(-c3ccccc3)nc3ccc4ccccc4c32)cc1)\c1ccccc1 ZINC000012375800 556403665 /nfs/dbraw/zinc/40/36/65/556403665.db2.gz NFKDYJICOHIJDQ-STKMKYKTSA-N 0 0 434.542 8.473 40 30 IKEBRN Cc1c(Br)c(/C=N/c2ccc(C3CCCCC3)cc2)c(C)n1-c1ccccc1 ZINC000408851423 556434912 /nfs/dbraw/zinc/43/49/12/556434912.db2.gz ZCQAXUZWXPFIEA-WPWMEQJKSA-N 0 0 435.409 7.655 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1S[C@@H]2c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000039921291 556438027 /nfs/dbraw/zinc/43/80/27/556438027.db2.gz GSQAAKAOMJBFDI-XMMPIXPASA-N 0 0 446.528 6.757 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OC ZINC000408858106 556446480 /nfs/dbraw/zinc/44/64/80/556446480.db2.gz 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C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cccc(Cl)c2Cl)S/C1=N\c1ccccc1 ZINC000408861201 556454052 /nfs/dbraw/zinc/45/40/52/556454052.db2.gz PHANRYGBNKQGAF-KBBHJCPHSA-N 0 0 445.415 7.176 40 30 IKEBRN CCOC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408869934 556461726 /nfs/dbraw/zinc/46/17/26/556461726.db2.gz RCRZKSMDSHAECJ-QCPPNAKLSA-N 0 0 448.588 6.046 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(OC)c1 ZINC000408871218 556462008 /nfs/dbraw/zinc/46/20/08/556462008.db2.gz YVVNMSKPJLWPAZ-LYOBYNQFSA-N 0 0 436.577 5.887 40 30 IKEBRN CCCCOc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)c2ccccc12 ZINC000408873335 556463001 /nfs/dbraw/zinc/46/30/01/556463001.db2.gz TYGOOPUHVKXNKI-JLPGSUDCSA-N 0 0 446.572 6.227 40 30 IKEBRN COc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 ZINC000408873928 556464596 /nfs/dbraw/zinc/46/45/96/556464596.db2.gz XKAOCLUTRAEBFI-NHDPSOOVSA-N 0 0 433.920 5.875 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccccc3F)NC2=O)c(C)n1-c1cccc(Cl)c1C ZINC000408879694 556470022 /nfs/dbraw/zinc/47/00/22/556470022.db2.gz DTTFMLVBTYWVMP-MTJSOVHGSA-N 0 0 439.943 6.087 40 30 IKEBRN C=CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408884388 556472214 /nfs/dbraw/zinc/47/22/14/556472214.db2.gz UHHVJWXDZIKZMG-VEIFWBPYSA-N 0 0 432.589 6.434 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(C)cc4[N+](=O)[O-])o3)S2)cc1 ZINC000408890334 556476936 /nfs/dbraw/zinc/47/69/36/556476936.db2.gz RNXHSNFLHUYNJX-NDENLUEZSA-N 0 0 435.461 5.063 40 30 IKEBRN C#CCn1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)c2ccccc21 ZINC000408896198 556481561 /nfs/dbraw/zinc/48/15/61/556481561.db2.gz QCADKALVZPNBHL-UHFFFAOYSA-N 0 0 440.587 5.590 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCOC)C2=O)c2ccccc12 ZINC000015012600 556483791 /nfs/dbraw/zinc/48/37/91/556483791.db2.gz QXBDYDYTACEPOV-OBUXZSPNSA-N 0 0 432.545 5.489 40 30 IKEBRN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OC(C)C ZINC000408898256 556484273 /nfs/dbraw/zinc/48/42/73/556484273.db2.gz PKLNRIKZVSVXTH-UHFFFAOYSA-N 0 0 443.971 5.569 40 30 IKEBRN C=CCc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(OC)c1OCc1ccccc1 ZINC000408901622 556486994 /nfs/dbraw/zinc/48/69/94/556486994.db2.gz GWMIYTCAPPCQOA-KOEQRZSOSA-N 0 0 438.527 5.809 40 30 IKEBRN CN1C2=C(C(=O)CCC2)C(c2cn(Cc3ccccc3)c3ccccc23)C2=C1CCCC2=O ZINC000408900190 556487318 /nfs/dbraw/zinc/48/73/18/556487318.db2.gz XKOUHWMSRXHAOW-UHFFFAOYSA-N 0 0 436.555 5.733 40 30 IKEBRN N#Cc1ccccc1COc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O ZINC000408901843 556487947 /nfs/dbraw/zinc/48/79/47/556487947.db2.gz HUMCSTDSEJJMTN-HYARGMPZSA-N 0 0 428.538 5.543 40 30 IKEBRN Cc1sc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)c(C#N)c1C ZINC000408903414 556490901 /nfs/dbraw/zinc/49/09/01/556490901.db2.gz XKIIBQYMYSGNNQ-RGVLZGJSSA-N 0 0 449.626 6.050 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc(O)c(I)c3)cc2)cc1 ZINC000408904759 556492359 /nfs/dbraw/zinc/49/23/59/556492359.db2.gz OFVLIUPJPSWEMR-LPYMAVHISA-N 0 0 445.256 5.548 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3cc(C)ccc3C)N(CC)C2=O)cc(Cl)c1O ZINC000408906371 556492405 /nfs/dbraw/zinc/49/24/05/556492405.db2.gz IUUBZFUJZBYYQS-RVFNTIOESA-N 0 0 430.957 5.685 40 30 IKEBRN CC1=NN(c2ccccc2)C(=O)/C1=C/c1c(OCc2ccccc2C#N)ccc2ccccc21 ZINC000408905260 556492680 /nfs/dbraw/zinc/49/26/80/556492680.db2.gz WCHCTOMJQSOERV-YZSQISJMSA-N 0 0 443.506 6.097 40 30 IKEBRN CC(C)N1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1ccccc1 ZINC000408906076 556492891 /nfs/dbraw/zinc/49/28/91/556492891.db2.gz HDAYXEBMCHMOGY-UINIZAEWSA-N 0 0 428.557 6.278 40 30 IKEBRN N#CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N(Cc2ccccc2)C1=O ZINC000408906064 556493011 /nfs/dbraw/zinc/49/30/11/556493011.db2.gz GZNCWUFCRFXBTG-ACWMPWAISA-N 0 0 425.513 5.393 40 30 IKEBRN COc1ccc(-n2c(C)cc(/C=C3/S/C(=N\c4ccccc4)N(C(C)C)C3=O)c2C)cc1 ZINC000408906215 556493255 /nfs/dbraw/zinc/49/32/55/556493255.db2.gz BATCSRBPZVVZQQ-YCJCGMCGSA-N 0 0 445.588 6.115 40 30 IKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 ZINC000408906220 556493273 /nfs/dbraw/zinc/49/32/73/556493273.db2.gz BBFGPCBQEYFCLJ-KEHMSQLFSA-N 0 0 429.501 5.960 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3c(F)cccc3Cl)C(=O)N2c2ccc(C)cc2)cc1 ZINC000408908955 556494048 /nfs/dbraw/zinc/49/40/48/556494048.db2.gz BDCCWXCBKGQCPM-MDISCOTOSA-N 0 0 436.939 6.905 40 30 IKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000408907103 556494396 /nfs/dbraw/zinc/49/43/96/556494396.db2.gz LWWZOPDRFZPECR-SOISBHENSA-N 0 0 440.568 6.617 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1cc(C)ccc1C ZINC000408907381 556494483 /nfs/dbraw/zinc/49/44/83/556494483.db2.gz MSULKDIHQFNYIS-FUQOYWQNSA-N 0 0 442.584 6.506 40 30 IKEBRN CCn1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 ZINC000408907576 556494696 /nfs/dbraw/zinc/49/46/96/556494696.db2.gz BMUSKFJAYTWPMZ-YUMHPJSZSA-N 0 0 427.573 6.604 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CCC)C2=O)cc1OCC ZINC000408910289 556494722 /nfs/dbraw/zinc/49/47/22/556494722.db2.gz 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CCc1ccccc1/N=C1\S/C(=C/c2cccc(OC)c2O)C(=O)N1C1CCCCC1 ZINC000408913019 556497730 /nfs/dbraw/zinc/49/77/30/556497730.db2.gz PCALXNPFWQILLM-HNEFAFEWSA-N 0 0 436.577 5.900 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1C ZINC000408911759 556498325 /nfs/dbraw/zinc/49/83/25/556498325.db2.gz KOASUULNHWQDLN-YCJCGMCGSA-N 0 0 428.557 6.429 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N\c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)o2)cc1 ZINC000408912363 556499449 /nfs/dbraw/zinc/49/94/49/556499449.db2.gz FKHYYPBCUFGINP-QRQIAZFYSA-N 0 0 426.516 7.073 40 30 IKEBRN C#CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000408914106 556499632 /nfs/dbraw/zinc/49/96/32/556499632.db2.gz SVHLRRWMVLUGFY-AJGXWLHTSA-N 0 0 438.552 6.124 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@@H](C)CC)C2=O)c2ccccc12 ZINC000408914073 556499693 /nfs/dbraw/zinc/49/96/93/556499693.db2.gz SJIAAGXXJDTHTO-PYIPUQDCSA-N 0 0 444.600 6.949 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc(Cl)c1O ZINC000408914036 556499720 /nfs/dbraw/zinc/49/97/20/556499720.db2.gz SDVHYXKEBZLRIV-NKMCWBCSSA-N 0 0 444.984 6.155 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(Br)cc3)C(=O)N2CC(C)C)cc1 ZINC000408914401 556500092 /nfs/dbraw/zinc/50/00/92/556500092.db2.gz USZRIIHEAFAJKB-CRUFNBOHSA-N 0 0 429.383 6.018 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C(C)C)C2=O)c2ccccc12 ZINC000408915036 556500370 /nfs/dbraw/zinc/50/03/70/556500370.db2.gz WPZGZSIYMXTLCR-YCJCGMCGSA-N 0 0 430.573 6.559 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccccc3OCC(C)C)C(=O)N2C2CCCCC2)cc1 ZINC000408915421 556500431 /nfs/dbraw/zinc/50/04/31/556500431.db2.gz YFTPRPDUXJILKR-FUQOYWQNSA-N 0 0 448.632 6.967 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408915796 556500628 /nfs/dbraw/zinc/50/06/28/556500628.db2.gz YYESXHGMYIXLIY-UHFFFAOYSA-N 0 0 435.435 5.790 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1CC ZINC000408915620 556500697 /nfs/dbraw/zinc/50/06/97/556500697.db2.gz ZAJPUJFKLBFOIL-AJGXWLHTSA-N 0 0 442.584 6.452 40 30 IKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1cc3c(cc1Cl)OCO3)CCCC2 ZINC000408916153 556500779 /nfs/dbraw/zinc/50/07/79/556500779.db2.gz VGNMFKSQFXPSPP-ROTLSHHCSA-N 0 0 438.936 6.012 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2CCc2ccccc2)cc1 ZINC000408915708 556500815 /nfs/dbraw/zinc/50/08/15/556500815.db2.gz ZOEGCMHMPSODLP-HSHJPCDPSA-N 0 0 440.612 6.965 40 30 IKEBRN N#CCn1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 ZINC000408916389 556501091 /nfs/dbraw/zinc/50/10/91/556501091.db2.gz WZESJRJHUCBHMJ-NTFVMDSBSA-N 0 0 438.556 6.108 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)C1=O ZINC000408917088 556502025 /nfs/dbraw/zinc/50/20/25/556502025.db2.gz MICULMMGYJMTIK-XDHOZWIPSA-N 0 0 442.334 5.006 40 30 IKEBRN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(-c2ccccc2)cc1 ZINC000015225765 556512422 /nfs/dbraw/zinc/51/24/22/556512422.db2.gz YZNSASLDRXVXFU-ZHACJKMWSA-N 0 0 435.367 7.200 40 30 IKEBRN C/C(=N\N1C(=O)c2ccccc2N[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1O ZINC000015276979 556514623 /nfs/dbraw/zinc/51/46/23/556514623.db2.gz PSLBUIMSVOPXPB-QMPKWXHSSA-N 0 0 426.303 5.690 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1ccc3ncccc3c1[C@H]2c1ccc(-c2ccccc2)cc1 ZINC000015305152 556517674 /nfs/dbraw/zinc/51/76/74/556517674.db2.gz GGEAHDKGRSYXTQ-HHHXNRCGSA-N 0 0 430.551 7.102 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C(=O)N1CC ZINC000408929695 556523339 /nfs/dbraw/zinc/52/33/39/556523339.db2.gz MQOLQBYXOKVHID-SGFRRPFJSA-N 0 0 448.947 5.379 40 30 IKEBRN Clc1ccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)cc1 ZINC000408930782 556524088 /nfs/dbraw/zinc/52/40/88/556524088.db2.gz BYKNBKSYIOFJJL-OGLMXYFKSA-N 0 0 429.951 5.930 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(C)cc1 ZINC000408931917 556524506 /nfs/dbraw/zinc/52/45/06/556524506.db2.gz SCCWHXPSMRTSPJ-TURZUDJPSA-N 0 0 430.548 5.560 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1cccn1-c1cccc(C(F)(F)F)c1 ZINC000408931835 556524547 /nfs/dbraw/zinc/52/45/47/556524547.db2.gz QVGAJJUYWTZEOR-PDGQHHTCSA-N 0 0 447.869 6.041 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1cccc(C)c1 ZINC000408931087 556524554 /nfs/dbraw/zinc/52/45/54/556524554.db2.gz GZXIMNVSMMSVQX-TURZUDJPSA-N 0 0 430.548 5.560 40 30 IKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)S1 ZINC000408931735 556524817 /nfs/dbraw/zinc/52/48/17/556524817.db2.gz PNOJFUKQJIWPRR-UYRXBGFRSA-N 0 0 427.451 5.696 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccccc2C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000408931959 556525684 /nfs/dbraw/zinc/52/56/84/556525684.db2.gz AFFMBTRWNCRJFP-VYYCAZPPSA-N 0 0 427.426 5.477 40 30 IKEBRN CC[C@H]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc3c(C)ccc(C)c3c21 ZINC000031778257 556526462 /nfs/dbraw/zinc/52/64/62/556526462.db2.gz ZASYPLFQBLFUIG-MEZKORTJSA-N 0 0 432.480 6.377 40 30 IKEBRN Oc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408934466 556527217 /nfs/dbraw/zinc/52/72/17/556527217.db2.gz AXZLGUIZJPHXLA-VZQTZOBLSA-N 0 0 445.360 6.732 40 30 IKEBRN Oc1ccc(Br)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408934465 556527247 /nfs/dbraw/zinc/52/72/47/556527247.db2.gz AXZLGUIZJPHXLA-QSKSHKASSA-N 0 0 445.360 6.732 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc(Cl)c1O ZINC000408934597 556527472 /nfs/dbraw/zinc/52/74/72/556527472.db2.gz BKOAEVMCLLJQFL-BHCKABGOSA-N 0 0 430.935 6.631 40 30 IKEBRN CCOc1cccc(/C=N/c2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1O ZINC000032114725 556531196 /nfs/dbraw/zinc/53/11/96/556531196.db2.gz CMTDHFZHMAFGEH-RWPZCVJISA-N 0 0 442.902 7.156 40 30 IKEBRN Cc1cc(Cl)cc(/C=N/c2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1O ZINC000032115314 556531484 /nfs/dbraw/zinc/53/14/84/556531484.db2.gz WBTACRFFCXCOAF-JQAMDZJQSA-N 0 0 433.241 6.844 40 30 IKEBRN CCOc1cc(CN=Nc2nc(C)cc(COC)c2C#N)ccc1OCc1cccc(C)c1 ZINC000032115661 556531828 /nfs/dbraw/zinc/53/18/28/556531828.db2.gz HRBYLZHDTLUTTJ-MBTHVWNTSA-N 0 0 444.535 5.140 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408935913 556533025 /nfs/dbraw/zinc/53/30/25/556533025.db2.gz FDDKXLPPMMWZPV-WKSIQMIZSA-N 0 0 428.963 7.316 40 30 IKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408936385 556536850 /nfs/dbraw/zinc/53/68/50/556536850.db2.gz FUDCDNAHHZABAY-LNAYXSFYSA-N 0 0 442.990 7.706 40 30 IKEBRN COCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)S/C1=N\c1ccccc1 ZINC000408942353 556540496 /nfs/dbraw/zinc/54/04/96/556540496.db2.gz XKVMQIDPMAQNMI-SIDNSYPESA-N 0 0 428.557 5.994 40 30 IKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408941176 556540529 /nfs/dbraw/zinc/54/05/29/556540529.db2.gz OUAVVNZYWXPSCU-UBAGDLADSA-N 0 0 442.990 7.706 40 30 IKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408944010 556540773 /nfs/dbraw/zinc/54/07/73/556540773.db2.gz TWXSEAHYFCZLPF-JCZPZKDPSA-N 0 0 436.555 6.837 40 30 IKEBRN O=[N+]([O-])c1cccc(-c2csc(N=NCc3ccc(OCc4ccccc4)cc3)n2)c1 ZINC000032653943 556546394 /nfs/dbraw/zinc/54/63/94/556546394.db2.gz APJKXXCBACKUKJ-OYKKKHCWSA-N 0 0 430.489 5.743 40 30 IKEBRN Brc1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)oc1Br ZINC000408949975 556548132 /nfs/dbraw/zinc/54/81/32/556548132.db2.gz CVSFZRGTMKJNBH-SSDVNMTOSA-N 0 0 445.110 6.968 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OC(C)C)c(OC)c3)S2)cc1 ZINC000408950532 556548204 /nfs/dbraw/zinc/54/82/04/556548204.db2.gz GDAWEBUPGAYHJT-XDHOZWIPSA-N 0 0 446.956 5.426 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OC)c(OCC)c3)S2)cc1 ZINC000408954669 556556798 /nfs/dbraw/zinc/55/67/98/556556798.db2.gz ULJGAFBRECAIDF-LDADJPATSA-N 0 0 432.929 5.038 40 30 IKEBRN Cc1oc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)c(C#N)c1C ZINC000408957997 556561436 /nfs/dbraw/zinc/56/14/36/556561436.db2.gz WZODKIGYCRALGP-OPEKNORGSA-N 0 0 443.728 6.514 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)S2)cc1 ZINC000408959953 556561596 /nfs/dbraw/zinc/56/15/96/556561596.db2.gz BBISRUDBOKHPCV-HYARGMPZSA-N 0 0 445.500 5.374 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccc(N(C)C)cc1 ZINC000408959537 556562515 /nfs/dbraw/zinc/56/25/15/556562515.db2.gz AQGYJBWGJUJLPV-YJMOJNCUSA-N 0 0 434.609 5.367 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 ZINC000408962548 556565253 /nfs/dbraw/zinc/56/52/53/556565253.db2.gz SZDUBZRGKYMVFP-HYARGMPZSA-N 0 0 434.492 5.305 40 30 IKEBRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]2C1 ZINC000033831797 556568386 /nfs/dbraw/zinc/56/83/86/556568386.db2.gz UKAIYBGRLWQHDQ-KWRVYEIKSA-N 0 0 440.712 7.348 40 30 biogenic,in-vitro IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccc(OC(C)C)c(Br)c3)S2)cc1 ZINC000408964250 556570478 /nfs/dbraw/zinc/57/04/78/556570478.db2.gz QEERUAPCQPWLPB-WOJGMQOQSA-N 0 0 447.354 5.137 40 30 IKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408968059 556577056 /nfs/dbraw/zinc/57/70/56/556577056.db2.gz ZFENCXUSKSBHDP-FYJGNVAPSA-N 0 0 449.463 5.205 40 30 IKEBRN Cc1cc(/C=N/c2ccc(-c3cc4ccccc4o3)cc2)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408965800 556577630 /nfs/dbraw/zinc/57/76/30/556577630.db2.gz IQPNDONCPRBJRA-UZWMFBFFSA-N 0 0 446.594 8.555 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3F)S2)cc1 ZINC000408966083 556578155 /nfs/dbraw/zinc/57/81/55/556578155.db2.gz MSRGNQYMNBKUII-HYARGMPZSA-N 0 0 434.492 5.305 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4Cl)c3C)S2)cc1 ZINC000408966331 556579207 /nfs/dbraw/zinc/57/92/07/556579207.db2.gz ZYSMJPOLEYLQFE-FYJGNVAPSA-N 0 0 437.952 5.648 40 30 IKEBRN COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)ccc1O ZINC000408969066 556579646 /nfs/dbraw/zinc/57/96/46/556579646.db2.gz GQVXFJCGFJLCCW-WGOQTCKBSA-N 0 0 434.561 6.124 40 30 IKEBRN C=CCn1cc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000016138513 556585094 /nfs/dbraw/zinc/58/50/94/556585094.db2.gz YRFVZTFXIUJEBX-LMTJQJACSA-N 0 0 439.540 6.225 40 30 IKEBRN C/C(=N\c1ccc(/N=C(\C)c2cc3ccccc3oc2=O)cc1)c1cc2ccccc2oc1=O ZINC000016137281 556585130 /nfs/dbraw/zinc/58/51/30/556585130.db2.gz FTPPLPNIQJGURD-YAGSLNJISA-N 0 0 448.478 6.181 40 30 IKEBRN Cc1[nH]c2ccccc2c1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000408970088 556585372 /nfs/dbraw/zinc/58/53/72/556585372.db2.gz AGCGJGPYMPNQRF-OGLMXYFKSA-N 0 0 441.600 7.200 40 30 IKEBRN COc1c(Cl)cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)cc1Br ZINC000016194446 556589621 /nfs/dbraw/zinc/58/96/21/556589621.db2.gz RVNBOSOVKSPVIU-ZSOIEALJSA-N 0 0 441.709 5.142 40 30 IKEBRN COc1ccc(Br)c(/N=C\c2ccc3oc(-c4ccccc4F)nc3c2)c1O ZINC000016215700 556591598 /nfs/dbraw/zinc/59/15/98/556591598.db2.gz ISDBIFXTCNASCH-MYKKPKGFSA-N 0 0 441.256 5.861 40 30 IKEBRN COc1cccc(/C=N/c2ccc3oc(-c4cc(Cl)c(OC)c(Cl)c4)nc3c2)c1O ZINC000016228147 556593277 /nfs/dbraw/zinc/59/32/77/556593277.db2.gz AOLXADWVARZEPS-OPEKNORGSA-N 0 0 443.286 6.275 40 30 IKEBRN COc1ccc(/N=C/c2c(C)nn(-c3ccccc3)c2Sc2ccc(Cl)cc2)cc1 ZINC000016249405 556594454 /nfs/dbraw/zinc/59/44/54/556594454.db2.gz GYXKRROKCQNPKG-WGOQTCKBSA-N 0 0 433.964 6.745 40 30 IKEBRN Cc1cc(Br)c(O)c(/C=N/c2ccc(-c3cc4ccccc4oc3=O)cc2)c1 ZINC000016267127 556595620 /nfs/dbraw/zinc/59/56/20/556595620.db2.gz ZSAUAHRPHIPVCT-DHRITJCHSA-N 0 0 434.289 5.987 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000016268505 556596014 /nfs/dbraw/zinc/59/60/14/556596014.db2.gz HEJKRQGKQJHNKF-IWIPYMOSSA-N 0 0 441.531 6.278 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1cccc2ccccc21 ZINC000016268593 556596032 /nfs/dbraw/zinc/59/60/32/556596032.db2.gz IAHJEHCUERBSJE-IWIPYMOSSA-N 0 0 441.531 6.278 40 30 IKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=N/c2ccc3oc(-c4ccccc4F)nc3c2)o1 ZINC000016283270 556596753 /nfs/dbraw/zinc/59/67/53/556596753.db2.gz BIHGSUCFWPZWCG-MZJWZYIUSA-N 0 0 441.418 6.861 40 30 IKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc3c(c2)OCO3)sc2c1CCCCCC2 ZINC000408971415 556597879 /nfs/dbraw/zinc/59/78/79/556597879.db2.gz ODVXUFQYUDPMJP-CVKSISIWSA-N 0 0 432.545 6.139 40 30 IKEBRN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)cc1 ZINC000016291614 556597958 /nfs/dbraw/zinc/59/79/58/556597958.db2.gz IDTSPQIBXYVEAG-JXKYSLRESA-N 0 0 442.540 5.899 40 30 IKEBRN N#Cc1ccc(COc2ccccc2/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 ZINC000408971628 556598397 /nfs/dbraw/zinc/59/83/97/556598397.db2.gz KNHAEOBKUITUKT-STZFKDTASA-N 0 0 447.416 5.486 40 30 IKEBRN Cc1nn(-c2ccc(C)cc2)c2c1C1=C(C(=O)CC(C)(C)C1)[C@@H](c1ccc(N(C)C)cc1)N2 ZINC000016311722 556599859 /nfs/dbraw/zinc/59/98/59/556599859.db2.gz QHKFPKKWMKWFKA-AREMUKBSSA-N 0 0 440.591 5.865 40 30 IKEBRN CC(=O)c1cccc(N=Cc2cc(Cc3ccccc3Cl)cc(Br)c2O)c1 ZINC000016321998 556600617 /nfs/dbraw/zinc/60/06/17/556600617.db2.gz JQNKBHCXXOEYKX-DHRITJCHSA-N 0 0 442.740 6.352 40 30 IKEBRN COC(=O)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408972119 556601032 /nfs/dbraw/zinc/60/10/32/556601032.db2.gz SGLFFSZWWIAMIQ-WPWMEQJKSA-N 0 0 446.572 6.197 40 30 IKEBRN Cc1ccc2c(c1)C(N=Nc1ncnc3sc4c(c31)CCCC4)C[C@@H](c1ccccc1)O2 ZINC000016348142 556601875 /nfs/dbraw/zinc/60/18/75/556601875.db2.gz XTDFSYOBMUEUFA-KKSLMDIGSA-N 0 0 440.572 6.219 40 30 IKEBRN O=C(Oc1ccc(/C=N\c2ccc3c4c(cccc42)CC3)cc1)c1ccc(Cl)cc1Cl ZINC000016431653 556607496 /nfs/dbraw/zinc/60/74/96/556607496.db2.gz QCNNTXCPIBWQKU-FDVSRXAVSA-N 0 0 446.333 7.215 40 30 IKEBRN N#Cc1ccccc1COc1ccccc1/C=C1\S/C(=N\c2ccc(F)cc2)NC1=O ZINC000016450093 556609225 /nfs/dbraw/zinc/60/92/25/556609225.db2.gz UKKFGOBBEURFNA-XKZIYDEJSA-N 0 0 429.476 5.168 40 30 IKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C/C(=N\O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000072182632 556609943 /nfs/dbraw/zinc/60/99/43/556609943.db2.gz JVBJMRIVVNLPKI-CYYPHDLDSA-N 0 0 433.677 6.024 40 30 IKEBRN Oc1c(Br)cc(Cc2ccccc2)cc1/C=N/c1ccccc1N1CCCC1 ZINC000016480940 556611696 /nfs/dbraw/zinc/61/16/96/556611696.db2.gz CJMCTRQXBWVBAV-YZSQISJMSA-N 0 0 435.365 6.096 40 30 IKEBRN O/N=C1\CC/C=C/CC/C=C/CC[C@@H]1Sc1nc(-c2ccccc2)c(-c2ccccc2)o1 ZINC000016492199 556612523 /nfs/dbraw/zinc/61/25/23/556612523.db2.gz PNKVELXQIAPQHQ-FPNJMJGSSA-N 0 0 444.600 7.766 40 30 IKEBRN COc1ccccc1CN=Nc1nc(-c2ccc(C)cc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000408975409 556615641 /nfs/dbraw/zinc/61/56/41/556615641.db2.gz JRKFXMLOGQNINY-MFKUBSTISA-N 0 0 444.516 6.148 40 30 IKEBRN Clc1ccc(Cc2[nH]c3ccccc3c2C=NNc2nc3ccccc3[nH]2)c(Cl)c1 ZINC000408974640 556615654 /nfs/dbraw/zinc/61/56/54/556615654.db2.gz FUIUNXSLLIRCDI-LGJNPRDNSA-N 0 0 434.330 6.388 40 30 IKEBRN N#Cc1c(/N=C/c2ccc(OCc3ccccc3)cc2)oc(-c2ccco2)c1-c1ccco1 ZINC000408975579 556615665 /nfs/dbraw/zinc/61/56/65/556615665.db2.gz NKOIZABBVMHUSL-STBIYBPSSA-N 0 0 434.451 7.001 40 30 IKEBRN Cc1ccc(-c2nc(N=NC(C)c3cccc([N+](=O)[O-])c3)sc2-c2ccccc2)cc1C ZINC000408975281 556615667 /nfs/dbraw/zinc/61/56/67/556615667.db2.gz LTVISSGVGVZRPX-OVVQPSECSA-N 0 0 442.544 6.838 40 30 IKEBRN Brc1cccc(/C=N/c2ncnc3oc(-c4ccco4)c(-c4ccco4)c32)c1 ZINC000408975039 556615687 /nfs/dbraw/zinc/61/56/87/556615687.db2.gz IXSRMGFVCVRJQF-FOKLQQMPSA-N 0 0 434.249 6.256 40 30 IKEBRN CCCCO[C@@H]1Oc2ccc(C)cc2C(=O)C1=CN=c1[nH]c2c(cccc2Cl)s1 ZINC000016639065 556619350 /nfs/dbraw/zinc/61/93/50/556619350.db2.gz IDRMWPKNUVIWBO-OKULMJQMSA-N 0 0 428.941 5.972 40 30 IKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc4c(c3)OCO4)cc2)cc1 ZINC000016638598 556619403 /nfs/dbraw/zinc/61/94/03/556619403.db2.gz QVGHANQHPKNYGD-WPWMEQJKSA-N 0 0 431.488 5.954 40 30 IKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000016638594 556619442 /nfs/dbraw/zinc/61/94/42/556619442.db2.gz LYMMHZGEUHKOOG-NLRVBDNBSA-N 0 0 432.476 6.134 40 30 IKEBRN C=CCSc1nnc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)s1 ZINC000224312649 556619526 /nfs/dbraw/zinc/61/95/26/556619526.db2.gz SELAHMGDAJUFEE-UHFFFAOYSA-N 0 0 429.592 5.240 40 30 IKEBRN CCCCCOc1ccc(C(=O)Oc2ccc(/N=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000016638607 556619523 /nfs/dbraw/zinc/61/95/23/556619523.db2.gz ACZFUGFQGNQCIF-NLRVBDNBSA-N 0 0 432.476 6.134 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C\c3ccccc3F)C(=O)N2c2ccc(C)c(C)c2)cc1C ZINC000408975668 556619972 /nfs/dbraw/zinc/61/99/72/556619972.db2.gz BYHWNYMIKKNCLW-AHHHDHMGSA-N 0 0 430.548 6.868 40 30 IKEBRN C=CCOc1ccccc1CN=Nc1nc(-c2ccc(C)c(C)c2)c(-c2ccccc2)s1 ZINC000408976078 556620135 /nfs/dbraw/zinc/62/01/35/556620135.db2.gz OYMDHPCHGLRWLW-MTDXEUNCSA-N 0 0 439.584 7.105 40 30 IKEBRN C=CCN(c1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 ZINC000224377746 556621941 /nfs/dbraw/zinc/62/19/41/556621941.db2.gz AYVJRINFZPOBAN-NRFANRHFSA-N 0 0 448.588 5.176 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1)S(=O)(=O)c1ccccc1 ZINC000224374900 556621969 /nfs/dbraw/zinc/62/19/69/556621969.db2.gz OPMIKEJGPCCFMX-UHFFFAOYSA-N 0 0 448.588 5.752 40 30 IKEBRN CCN(CC)C(=O)C(=O)[C@@H](SC(=Nc1ccccc1)Nc1ccccc1)c1ccccc1 ZINC000016678379 556623283 /nfs/dbraw/zinc/62/32/83/556623283.db2.gz KVAHJXYMBKRQHL-DEOSSOPVSA-N 0 0 445.588 5.698 40 30 IKEBRN C=CCN(Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224477202 556628635 /nfs/dbraw/zinc/62/86/35/556628635.db2.gz OEYBMLKWDUVQKH-UHFFFAOYSA-N 0 0 448.588 5.241 40 30 IKEBRN C=CCN(Cc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224477282 556628918 /nfs/dbraw/zinc/62/89/18/556628918.db2.gz KFRLCBWGWCRAJH-UHFFFAOYSA-N 0 0 448.588 5.241 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccccc3[N+](=O)[O-])sc2-c2ccccc2)cc1C ZINC000408976751 556629773 /nfs/dbraw/zinc/62/97/73/556629773.db2.gz RZLHFMNTLPAQEO-MFKUBSTISA-N 0 0 428.517 6.448 40 30 IKEBRN CCOc1ccc2ccccc2c1/C=N/c1nc(-c2ccc(C3CCCCC3)cc2)cs1 ZINC000408976957 556629863 /nfs/dbraw/zinc/62/98/63/556629863.db2.gz HGJAVJSWHPFJHP-RDRPBHBLSA-N 0 0 440.612 8.160 40 30 IKEBRN C=CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 ZINC000224564682 556636291 /nfs/dbraw/zinc/63/62/91/556636291.db2.gz IIXNZTWEMDJIES-UHFFFAOYSA-N 0 0 442.537 5.157 40 30 IKEBRN COc1cc(/C=N\N2CCN(c3ccc(Cl)cc3)CC2)ccc1OCc1ccccc1 ZINC000016901503 556648521 /nfs/dbraw/zinc/64/85/21/556648521.db2.gz RAODBYKFQKPPRJ-IMRQLAEWSA-N 0 0 435.955 5.084 40 30 IKEBRN O=C(Oc1ccc(Cl)cc1)N1C/C(=C/c2ccccc2)C(=O)/C(=C\c2ccccc2)C1 ZINC000016953472 556650030 /nfs/dbraw/zinc/65/00/30/556650030.db2.gz FNXCWBHQNWTCOR-BMJUYKDLSA-N 0 0 429.903 5.891 40 30 IKEBRN COc1ccc(COc2ccc(-c3c(C#N)c(N)ncc3-c3ccccc3)cc2OC)cc1 ZINC000408979625 556652336 /nfs/dbraw/zinc/65/23/36/556652336.db2.gz NKFSZEONFSOZBZ-UHFFFAOYSA-N 0 0 437.499 5.466 40 30 IKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)ccc1OCc1cccc2ccccc21 ZINC000083293205 556662841 /nfs/dbraw/zinc/66/28/41/556662841.db2.gz GBBMEMKXZGQDNI-PKAZHMFMSA-N 0 0 441.487 6.172 40 30 IKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3\S/C(=N/c4ccc(OC)cc4)NC3=O)o2)cc1 ZINC000083262577 556662852 /nfs/dbraw/zinc/66/28/52/556662852.db2.gz SGPBFXCJUNWHNM-STZFKDTASA-N 0 0 448.500 5.024 40 30 IKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccccc1F ZINC000083299340 556663243 /nfs/dbraw/zinc/66/32/43/556663243.db2.gz REOWOZUBTCCFMB-MXAYSNPKSA-N 0 0 443.862 5.811 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)c(C)c3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000083309766 556663456 /nfs/dbraw/zinc/66/34/56/556663456.db2.gz BTLOENCEQOACHC-XKZIYDEJSA-N 0 0 435.980 6.256 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccccc1 ZINC000083309933 556663466 /nfs/dbraw/zinc/66/34/66/556663466.db2.gz MHYOXDCQJXIYEA-JAIQZWGSSA-N 0 0 442.371 6.293 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N/c3ccc(C)cc3C)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000083309682 556663512 /nfs/dbraw/zinc/66/35/12/556663512.db2.gz YHRXWBRFGDEDGJ-XKZIYDEJSA-N 0 0 435.980 6.256 40 30 IKEBRN COc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000083316247 556663836 /nfs/dbraw/zinc/66/38/36/556663836.db2.gz VXMMEYQDBYYLHN-MSXFZWOLSA-N 0 0 429.835 5.421 40 30 IKEBRN Cc1cc(C)cc(C/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)S2)c1 ZINC000083316720 556663864 /nfs/dbraw/zinc/66/38/64/556663864.db2.gz CSWRXQFXQJURTM-UUYOSTAYSA-N 0 0 447.516 5.540 40 30 IKEBRN C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224930620 556664901 /nfs/dbraw/zinc/66/49/01/556664901.db2.gz OVDLOHXPIWSTMJ-UHFFFAOYSA-N 0 0 434.344 6.167 40 30 IKEBRN Cc1ccc(C)c(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c1 ZINC000408983302 556665506 /nfs/dbraw/zinc/66/55/06/556665506.db2.gz AOYVCMIMENBIPO-STZFKDTASA-N 0 0 436.621 6.496 40 30 IKEBRN C=CCN(c1ccc(Cl)c(C(=O)OCC)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224944312 556668022 /nfs/dbraw/zinc/66/80/22/556668022.db2.gz VUKGDEDZLZAFTC-UHFFFAOYSA-N 0 0 448.755 5.205 40 30 IKEBRN C=CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224945877 556668057 /nfs/dbraw/zinc/66/80/57/556668057.db2.gz PPINPKGYQRMOIX-UHFFFAOYSA-N 0 0 426.365 5.696 40 30 IKEBRN C=CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 ZINC000224952787 556668138 /nfs/dbraw/zinc/66/81/38/556668138.db2.gz DXOGCEBWBGAWKK-UHFFFAOYSA-N 0 0 429.925 5.522 40 30 IKEBRN C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225057264 556676193 /nfs/dbraw/zinc/67/61/93/556676193.db2.gz FOWOSQCNRIEALZ-UHFFFAOYSA-N 0 0 429.541 5.800 40 30 IKEBRN C=CCOc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1 ZINC000225342671 556682199 /nfs/dbraw/zinc/68/21/99/556682199.db2.gz MOYOCCNCTPOHBI-UHFFFAOYSA-N 0 0 427.422 5.778 40 30 IKEBRN Cc1cccc(/C=N/CC[C@H](S)CC[C@H](S)CC/N=C/c2cccc(C)c2O)c1O ZINC000018061841 556682787 /nfs/dbraw/zinc/68/27/87/556682787.db2.gz BOFCHUFJJKIXGD-FFSNSUEASA-N 0 0 444.666 5.410 40 30 IKEBRN C#CCOC(=O)c1cc(-c2ccc3c4c(cccc42)CC3)nc2ccc(Br)cc21 ZINC000226360618 556684867 /nfs/dbraw/zinc/68/48/67/556684867.db2.gz RIWZVCIVVMFEBW-UHFFFAOYSA-N 0 0 442.312 5.706 40 30 IKEBRN CCOc1ccc(/C=C2\C=C(c3ccc(Cl)cc3)N(c3ccc(C#N)cc3)C2=O)cc1 ZINC000408985027 556686378 /nfs/dbraw/zinc/68/63/78/556686378.db2.gz KMFXZTNJEQPFQV-RCCKNPSSSA-N 0 0 426.903 6.082 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccc(OCc4ccccc4C#N)cc3)S2)cc1 ZINC000408759651 556686960 /nfs/dbraw/zinc/68/69/60/556686960.db2.gz ISYLPAHGMAYUBS-IWIPYMOSSA-N 0 0 439.540 5.591 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(CC)cc4)NC3=O)c2C)cc1 ZINC000408761787 556688104 /nfs/dbraw/zinc/68/81/04/556688104.db2.gz HOOOXKLGTGPNHD-JLPGSUDCSA-N 0 0 445.588 5.947 40 30 IKEBRN COc1ccccc1NC(=S)NN=CC1=CC(=NNc2ccccc2)C=C(OC)C1=O ZINC000018269612 556688823 /nfs/dbraw/zinc/68/88/23/556688823.db2.gz PKAMBVZMTDOTKZ-HRRUJZEASA-N 0 0 435.509 5.145 40 30 IKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000170414893 556692568 /nfs/dbraw/zinc/69/25/68/556692568.db2.gz AOGCZIZFXAISFD-OAQYLSRUSA-N 0 0 441.593 5.439 40 30 IKEBRN CCOc1cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc(Cl)c1OCC ZINC000000780229 556693462 /nfs/dbraw/zinc/69/34/62/556693462.db2.gz XJHKOKBAKANTME-UHFFFAOYSA-N 0 0 429.944 5.181 40 30 IKEBRN CN(C)C(=O)Oc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1 ZINC000000780586 556693492 /nfs/dbraw/zinc/69/34/92/556693492.db2.gz RBCPANXRVAUJOK-UHFFFAOYSA-N 0 0 437.536 5.147 40 30 IKEBRN N#Cc1ccc(-c2ccc(Cl)cc2)nc1SCC(=O)Nc1cccc2ncccc21 ZINC000261526799 556698740 /nfs/dbraw/zinc/69/87/40/556698740.db2.gz LLDKXIDMPYPGAN-UHFFFAOYSA-N 0 0 430.920 5.553 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(Sc2nc3ccccc3s2)o1 ZINC000408994279 556709485 /nfs/dbraw/zinc/70/94/85/556709485.db2.gz YXLQZVMKZCHIGS-ATVHPVEESA-N 0 0 435.555 5.932 40 30 IKEBRN CCOC(=O)c1ccc(/N=C\c2ccc(OCC(=O)Nc3ccccc3Cl)cc2)cc1 ZINC000408996889 556709488 /nfs/dbraw/zinc/70/94/88/556709488.db2.gz FJIHJGKGRAJRHR-YSMPRRRNSA-N 0 0 436.895 5.285 40 30 IKEBRN Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408998101 556710207 /nfs/dbraw/zinc/71/02/07/556710207.db2.gz HZMWTZIOBUPJIS-AFUMVMLFSA-N 0 0 433.606 5.227 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(Br)s2)C1=O ZINC000409000172 556710424 /nfs/dbraw/zinc/71/04/24/556710424.db2.gz XJYNYKLSWSDXBD-RAXLEYEMSA-N 0 0 436.352 5.054 40 30 IKEBRN CCCCCCCOc1ccccc1/C=C1\N=C(c2cc(Cl)ccc2OC)OC1=O ZINC000409006178 556713209 /nfs/dbraw/zinc/71/32/09/556713209.db2.gz YKHRFPXGMZQLNJ-HKWRFOASSA-N 0 0 427.928 6.042 40 30 IKEBRN CCOc1ccc2ccc(OCC)c(/C=N/n3cnc4sc5c(c4c3=O)CCCC5)c2c1 ZINC000409005985 556713212 /nfs/dbraw/zinc/71/32/12/556713212.db2.gz GTECTGMEOQBDHZ-MZJWZYIUSA-N 0 0 447.560 5.170 40 30 IKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000409007717 556713892 /nfs/dbraw/zinc/71/38/92/556713892.db2.gz QMRUAKLBAMXTRB-AFUMVMLFSA-N 0 0 446.532 5.077 40 30 IKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1C ZINC000409008578 556714116 /nfs/dbraw/zinc/71/41/16/556714116.db2.gz YDVLLMBEAPXBHO-QFEZKATASA-N 0 0 446.532 5.077 40 30 IKEBRN CN1C(=O)/C(=C/c2c[nH]c3ccccc23)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409012705 556715823 /nfs/dbraw/zinc/71/58/23/556715823.db2.gz LEKLZDVPJDKNCK-GQQYLGSISA-N 0 0 446.757 5.818 40 30 IKEBRN COc1ccccc1[C@@H]1C(C(=O)OCc2ccccc2)=C(C)NC2=C1C(=O)CC(C)(C)C2 ZINC000019228270 556717395 /nfs/dbraw/zinc/71/73/95/556717395.db2.gz QBOSISZOBXFSHM-XMMPIXPASA-N 0 0 431.532 5.043 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)S2)c1 ZINC000409015617 556719653 /nfs/dbraw/zinc/71/96/53/556719653.db2.gz ORNHKUIPSCBLSB-PDGQHHTCSA-N 0 0 443.018 6.753 40 30 IKEBRN C#CCOc1ccccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCCCC2 ZINC000409019019 556722150 /nfs/dbraw/zinc/72/21/50/556722150.db2.gz VGXPHGBWIDJRTJ-TURZUDJPSA-N 0 0 442.584 6.422 40 30 IKEBRN CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1ccccc1C#N ZINC000409020055 556722788 /nfs/dbraw/zinc/72/27/88/556722788.db2.gz LQSWOJJOBGNCKL-QPNANDPSSA-N 0 0 436.533 5.371 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(O)cc2)S/C1=N\c1ccc(Br)c(Cl)c1 ZINC000409020097 556722921 /nfs/dbraw/zinc/72/29/21/556722921.db2.gz LWIPCKGLBOMUEH-NSUZWAMQSA-N 0 0 437.746 5.432 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccc(OC)cc1 ZINC000409021894 556723976 /nfs/dbraw/zinc/72/39/76/556723976.db2.gz DNYCQQJIOPRELQ-WJEPFGLZSA-N 0 0 429.501 5.451 40 30 IKEBRN COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000409023066 556724909 /nfs/dbraw/zinc/72/49/09/556724909.db2.gz CLGRGMXCGOVBNC-VXLYETTFSA-N 0 0 442.924 5.244 40 30 IKEBRN CCOc1cc(CN=Nc2nc(C)c(C)s2)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000409023724 556725167 /nfs/dbraw/zinc/72/51/67/556725167.db2.gz DGHLLMNFDZWGSH-FSJBWODESA-N 0 0 429.929 5.477 40 30 IKEBRN CC(C)COc1ccc(Br)cc1/C=N/NC(F)(F)C(F)(F)C(F)(F)F ZINC000409034771 556743820 /nfs/dbraw/zinc/74/38/20/556743820.db2.gz OJRDZOJDDBYHAH-TXNBCWFRSA-N 0 0 439.169 5.198 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1[C@@H](C)Oc1ccccc1 ZINC000013850567 556746255 /nfs/dbraw/zinc/74/62/55/556746255.db2.gz WQFLLAPHCHUQON-GOSISDBHSA-N 0 0 436.581 5.458 40 30 IKEBRN C=CCn1cc(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc21 ZINC000409038236 556748657 /nfs/dbraw/zinc/74/86/57/556748657.db2.gz VALJRAVZIGGCEN-ZROIWOOFSA-N 0 0 431.364 5.329 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 ZINC000409042571 556749900 /nfs/dbraw/zinc/74/99/00/556749900.db2.gz NLLQWTMWLCLJDR-BHGWPJFGSA-N 0 0 435.694 6.885 40 30 IKEBRN Cc1c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cc(C)ccc2n1Cc1ccccc1 ZINC000409039088 556750149 /nfs/dbraw/zinc/75/01/49/556750149.db2.gz QKLVDMIUYKAQDJ-KYMQWJLESA-N 0 0 445.382 6.020 40 30 IKEBRN CCC1=C(CC)[C@H](CC)C[C@H](NS(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O ZINC000001108192 556750345 /nfs/dbraw/zinc/75/03/45/556750345.db2.gz BQIGNKOHMRZTIZ-KOSHJBKYSA-N 0 0 425.594 5.744 40 30 IKEBRN CCn1c(C)c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cc(C)ccc21 ZINC000409041190 556751015 /nfs/dbraw/zinc/75/10/15/556751015.db2.gz ZPWCVMRTLXGOLL-IJFXDBOGSA-N 0 0 431.355 6.299 40 30 IKEBRN COC(=O)c1ccc([C@@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CC(C)(C)C3)cc1OC ZINC000000924069 556751595 /nfs/dbraw/zinc/75/15/95/556751595.db2.gz JOYACLAZUNGSGP-VWLOTQADSA-N 0 0 442.515 5.340 40 30 IKEBRN O=[N+]([O-])c1ccc(COc2c(Cl)cc(/C=N/c3ccc([N+](=O)[O-])cc3)cc2Cl)cc1 ZINC000409048726 556753452 /nfs/dbraw/zinc/75/34/52/556753452.db2.gz SUQQNLJEGHPLBO-FOKLQQMPSA-N 0 0 446.246 6.139 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc([N+](=O)[O-])cc1 ZINC000409045789 556755665 /nfs/dbraw/zinc/75/56/65/556755665.db2.gz IAMXOHNVPYIWHW-VXLYETTFSA-N 0 0 440.091 5.435 40 30 IKEBRN CCOc1cc(C=NN2C(=S)N=NC2c2ccccc2)ccc1OCc1ccccc1F ZINC000409057851 556755925 /nfs/dbraw/zinc/75/59/25/556755925.db2.gz IHVNKYGMCZFVRD-CVKSISIWSA-N 0 0 448.523 5.233 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409058122 556756011 /nfs/dbraw/zinc/75/60/11/556756011.db2.gz RLWSHMKQOHGQHU-VCHYOVAHSA-N 0 0 443.311 5.114 40 30 IKEBRN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(CCCC)C2=O)cc1OCC ZINC000409058584 556756246 /nfs/dbraw/zinc/75/62/46/556756246.db2.gz SVSGYXQPAKBPCB-VBKFSLOCSA-N 0 0 440.359 5.249 40 30 IKEBRN CC(C)COc1c(Cl)cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc1Cl ZINC000409056651 556759223 /nfs/dbraw/zinc/75/92/23/556759223.db2.gz NEBXXAKQTMGSNY-UHFFFAOYSA-N 0 0 434.363 5.729 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N\c3sc4c(c3C#N)CCCC4)cc2)cc1 ZINC000409063291 556759703 /nfs/dbraw/zinc/75/97/03/556759703.db2.gz KBZHYJPZJQNRNE-DICXZTSXSA-N 0 0 429.545 5.575 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 ZINC000409064092 556760273 /nfs/dbraw/zinc/76/02/73/556760273.db2.gz BPCKYSZGANILCK-ZMOGYAJESA-N 0 0 449.359 5.193 40 30 IKEBRN Cc1cc(N2CCOCC2)ccc1/C=C1\SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000409064847 556760781 /nfs/dbraw/zinc/76/07/81/556760781.db2.gz QEUZTPAWUZGOPR-PDGQHHTCSA-N 0 0 448.375 5.030 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(C#N)cc1 ZINC000409065341 556760858 /nfs/dbraw/zinc/76/08/58/556760858.db2.gz KQUYRMWNWFZOBN-RPPGKUMJSA-N 0 0 427.386 5.339 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O ZINC000409066229 556761982 /nfs/dbraw/zinc/76/19/82/556761982.db2.gz KMMJDOWBUNQQPN-RQZCQDPDSA-N 0 0 435.318 5.218 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1ccc(N2CCCC2)c(F)c1 ZINC000409066300 556761987 /nfs/dbraw/zinc/76/19/87/556761987.db2.gz BNTSBUHWNUPTQY-BOPFTXTBSA-N 0 0 436.339 5.624 40 30 IKEBRN CCOc1cc(Cl)c(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409066762 556769798 /nfs/dbraw/zinc/76/97/98/556769798.db2.gz PLIHUZVVFHTSHM-AUEPDCJTSA-N 0 0 431.798 5.510 40 30 IKEBRN C=CCOc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Br ZINC000409067937 556772338 /nfs/dbraw/zinc/77/23/38/556772338.db2.gz QWIPFOKHEXUPJT-LSHDLFTRSA-N 0 0 444.207 5.387 40 30 IKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409068075 556772828 /nfs/dbraw/zinc/77/28/28/556772828.db2.gz HFKWIBKVSKRNLH-JVWAILMASA-N 0 0 434.467 6.191 40 30 IKEBRN COC(=O)c1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)c(C)c1 ZINC000409068724 556774029 /nfs/dbraw/zinc/77/40/29/556774029.db2.gz UXLXULHDMZBUOF-OPEKNORGSA-N 0 0 447.369 5.415 40 30 IKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000409073520 556775897 /nfs/dbraw/zinc/77/58/97/556775897.db2.gz QBEPMADSNGVIRD-CVKSISIWSA-N 0 0 436.895 6.315 40 30 IKEBRN C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000409074814 556775970 /nfs/dbraw/zinc/77/59/70/556775970.db2.gz RYGPGCMWROAPJG-UHFFFAOYSA-N 0 0 449.591 5.406 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409074319 556775977 /nfs/dbraw/zinc/77/59/77/556775977.db2.gz ZBLOKIKLIBDYFA-LPYMAVHISA-N 0 0 430.869 5.075 40 30 IKEBRN COc1cc(CN=Nc2nc(-c3ccc(C)cc3)cs2)ccc1OC(=O)c1ccco1 ZINC000409073755 556776160 /nfs/dbraw/zinc/77/61/60/556776160.db2.gz SXTZJKKAPBAYGO-ZMOGYAJESA-N 0 0 433.489 5.385 40 30 IKEBRN C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000409069637 556777481 /nfs/dbraw/zinc/77/74/81/556777481.db2.gz MCIUQKVOUFHJNX-UHFFFAOYSA-N 0 0 436.548 5.530 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1OC ZINC000409076239 556779576 /nfs/dbraw/zinc/77/95/76/556779576.db2.gz AEJPTPHLILHKJS-QNGOZBTKSA-N 0 0 444.918 5.748 40 30 IKEBRN CCCN1C(=O)/C(=C/c2cc(Cl)c(O)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409076446 556779823 /nfs/dbraw/zinc/77/98/23/556779823.db2.gz AJNVEQOGYCEPHV-RVIYGNEXSA-N 0 0 437.348 5.722 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3c4ccccc4[nH]c3-c3ccccc3)sc2C1 ZINC000409077208 556781546 /nfs/dbraw/zinc/78/15/46/556781546.db2.gz DKYFSTVWMRRKPT-ZXAKHJNPSA-N 0 0 437.612 7.670 40 30 IKEBRN Oc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=N/c1ccc(Br)c(Cl)c1 ZINC000409077088 556781575 /nfs/dbraw/zinc/78/15/75/556781575.db2.gz DDTZSGLTLKRMQR-LGJNPRDNSA-N 0 0 444.800 7.027 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1ccc(F)cc1 ZINC000409079371 556785444 /nfs/dbraw/zinc/78/54/44/556785444.db2.gz FPBYXHKQTOOMOG-AMUFHYMTSA-N 0 0 433.596 7.068 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc(OCC#N)c(OC)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409081230 556787483 /nfs/dbraw/zinc/78/74/83/556787483.db2.gz NEGGXCMKTPYVKS-SOMGSRHFSA-N 0 0 441.940 5.265 40 30 IKEBRN C=CCc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc(OCC)c1OC ZINC000409082194 556789392 /nfs/dbraw/zinc/78/93/92/556789392.db2.gz RNYJZTAXSSOJBM-MOHJPFBDSA-N 0 0 438.527 5.657 40 30 IKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409081918 556789463 /nfs/dbraw/zinc/78/94/63/556789463.db2.gz OTCSDPRZDUZBGG-NKZWWHGNSA-N 0 0 447.560 6.998 40 30 IKEBRN Cc1c(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)cccc1[N+](=O)[O-] ZINC000409080552 556789532 /nfs/dbraw/zinc/78/95/32/556789532.db2.gz LOTUWHBFVRXHTM-NKZWWHGNSA-N 0 0 447.560 6.998 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3cccc(OCc4ccccc4)c3)sc2C1 ZINC000409082221 556789705 /nfs/dbraw/zinc/78/97/05/556789705.db2.gz RUHOETUAJBJNTO-YJLDXCOUSA-N 0 0 428.601 7.100 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(OCc4ccccc4)cc3)sc2C1 ZINC000409082218 556789715 /nfs/dbraw/zinc/78/97/15/556789715.db2.gz RUCNLHNFIVZUSV-OHPNAPQJSA-N 0 0 428.601 7.100 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(OCc4ccccc4)cc3)sc2C1 ZINC000409082219 556789728 /nfs/dbraw/zinc/78/97/28/556789728.db2.gz RUCNLHNFIVZUSV-YJLDXCOUSA-N 0 0 428.601 7.100 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)n1-c1c(C)cccc1C ZINC000409082922 556789767 /nfs/dbraw/zinc/78/97/67/556789767.db2.gz UEQUZGDYIAZPBK-DVCVSJLKSA-N 0 0 443.660 7.546 40 30 IKEBRN CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br ZINC000409086269 556790555 /nfs/dbraw/zinc/79/05/55/556790555.db2.gz UYZOMQIPBXENRA-SQAVSUBZSA-N 0 0 444.442 6.350 40 30 IKEBRN CN(C)c1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br ZINC000409086277 556790560 /nfs/dbraw/zinc/79/05/60/556790560.db2.gz UYZOMQIPBXENRA-VSRRSJTHSA-N 0 0 444.442 6.350 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000409086210 556790652 /nfs/dbraw/zinc/79/06/52/556790652.db2.gz YQHKQPHDGZSZKA-UYRXBGFRSA-N 0 0 434.289 5.373 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3cccn3-c3cccc([N+](=O)[O-])c3)sc2C1 ZINC000409085075 556790723 /nfs/dbraw/zinc/79/07/23/556790723.db2.gz YHEUYEGJXXUGTC-KSXCTLEASA-N 0 0 432.549 6.220 40 30 IKEBRN CCCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409084938 556790744 /nfs/dbraw/zinc/79/07/44/556790744.db2.gz YNGMIJZVGSMCSS-UZOOHMMHSA-N 0 0 444.644 7.853 40 30 IKEBRN CCOc1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br ZINC000409087422 556791192 /nfs/dbraw/zinc/79/11/92/556791192.db2.gz UCMIAFJMKHEGHO-SQAVSUBZSA-N 0 0 445.426 6.683 40 30 IKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OC ZINC000409087240 556791222 /nfs/dbraw/zinc/79/12/22/556791222.db2.gz XUORZHZULGJXQA-WEPAEKJRSA-N 0 0 431.001 6.582 40 30 IKEBRN COC(=O)c1cccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)c1 ZINC000409087379 556791249 /nfs/dbraw/zinc/79/12/49/556791249.db2.gz CHTPWNSIDHQEQB-UEYIPHHSSA-N 0 0 446.572 6.568 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)C1=O ZINC000409089154 556791514 /nfs/dbraw/zinc/79/15/14/556791514.db2.gz NGYIXMNDCBFMAM-WOJGMQOQSA-N 0 0 448.313 5.390 40 30 IKEBRN CC(C)Oc1ccc2ccccc2c1/C=N/c1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000409089994 556791965 /nfs/dbraw/zinc/79/19/65/556791965.db2.gz NYWQDDRDTKXWNY-MQRLXVCBSA-N 0 0 430.617 7.462 40 30 IKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409090994 556792175 /nfs/dbraw/zinc/79/21/75/556792175.db2.gz OIRXQFVJKDMRPE-ODLFYWEKSA-N 0 0 437.854 5.411 40 30 IKEBRN COc1cccc(/C=N/c2sc3c(c2C#N)CCCC3)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409089732 556792188 /nfs/dbraw/zinc/79/21/88/556792188.db2.gz JRTVRGRQTCJSMS-VULFUBBASA-N 0 0 447.516 5.745 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3ccc(O)cc3)c2C(=O)Nc2ccccc2)C1 ZINC000409090518 556792431 /nfs/dbraw/zinc/79/24/31/556792431.db2.gz PUVJGCKVZIKFEV-GEGDGZKASA-N 0 0 432.589 6.608 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccccc1Br ZINC000409090591 556792499 /nfs/dbraw/zinc/79/24/99/556792499.db2.gz RNDBYRSWAZMASK-KIBLKLHPSA-N 0 0 437.263 5.716 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccccc3O)c2C(=O)NCc2ccco2)C1 ZINC000409092688 556792767 /nfs/dbraw/zinc/79/27/67/556792767.db2.gz WCJBVSCNDMIHDD-MWQSPYHUSA-N 0 0 436.577 5.878 40 30 IKEBRN CCOC(=O)c1c2c(sc1/N=C/c1ccc(Sc3ccc(Cl)cc3)o1)CCCC2 ZINC000409092659 556792845 /nfs/dbraw/zinc/79/28/45/556792845.db2.gz VMRVYTNNVJBYQF-ZMOGYAJESA-N 0 0 445.993 6.952 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)ccc1OCc1cccc2ccccc21 ZINC000409092340 556793048 /nfs/dbraw/zinc/79/30/48/556793048.db2.gz URKOGDRMIQVQGU-JLPGSUDCSA-N 0 0 439.898 6.417 40 30 IKEBRN COc1ccc(Oc2ccc(NC(C)=CC(=O)c3ccc(Br)cc3)cc2)cc1 ZINC000409098369 556794767 /nfs/dbraw/zinc/79/47/67/556794767.db2.gz ONQKKNMRBBNOEC-FOCLMDBBSA-N 0 0 438.321 6.449 40 30 IKEBRN CC[C@H](C)Oc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OC ZINC000409096555 556794830 /nfs/dbraw/zinc/79/48/30/556794830.db2.gz KLYACAHTXUJZEJ-QPDIMOPTSA-N 0 0 445.825 5.899 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1[N-][NH+]=Cc1ccc(N2CCCC2)c2ccccc12 ZINC000409097952 556794981 /nfs/dbraw/zinc/79/49/81/556794981.db2.gz OKHFAYSKIFOUCF-VULFUBBASA-N 0 0 428.414 5.813 40 30 IKEBRN CC[C@@H](C)Oc1c(Br)cc(C=NNc2ccc(C(F)(F)F)cn2)cc1OC ZINC000409097674 556795124 /nfs/dbraw/zinc/79/51/24/556795124.db2.gz NTTNQMHDNOGXFK-PTGPUUDJSA-N 0 0 446.267 5.495 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409098022 556795150 /nfs/dbraw/zinc/79/51/50/556795150.db2.gz NBVKCZGBQBVZHB-PXLXIMEGSA-N 0 0 437.561 5.757 40 30 IKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1cccc(C)c1 ZINC000409101837 556795594 /nfs/dbraw/zinc/79/55/94/556795594.db2.gz ZCGIRAFEALDLSZ-DHRITJCHSA-N 0 0 440.887 5.375 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCC3)c(F)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000409101943 556795598 /nfs/dbraw/zinc/79/55/98/556795598.db2.gz BZYLSEIFXNYOIC-ULVCWHGLSA-N 0 0 443.547 6.235 40 30 IKEBRN COc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409098579 556795638 /nfs/dbraw/zinc/79/56/38/556795638.db2.gz QSMKOMCXTCRHBN-IPBVOBEMSA-N 0 0 449.860 6.096 40 30 IKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1 ZINC000409102762 556796177 /nfs/dbraw/zinc/79/61/77/556796177.db2.gz UAQBRZAGVZUQCD-KVSWJAHQSA-N 0 0 449.860 6.178 40 30 IKEBRN CCN(CC)c1ccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cn3)c2C)cc1 ZINC000409099676 556796325 /nfs/dbraw/zinc/79/63/25/556796325.db2.gz RYHWEGQUXAKWMM-CCVNUDIWSA-N 0 0 429.490 5.800 40 30 IKEBRN C#CCOc1c(Cl)cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1OCC ZINC000409106087 556797329 /nfs/dbraw/zinc/79/73/29/556797329.db2.gz LZDIHJBDYXRSJG-BHGWPJFGSA-N 0 0 441.793 5.124 40 30 IKEBRN COc1cc(N2CCCC2)c(OC)cc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409104686 556797737 /nfs/dbraw/zinc/79/77/37/556797737.db2.gz HKJVSQGFFXNBEL-NDZAJKAJSA-N 0 0 444.619 6.522 40 30 IKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000409105055 556798059 /nfs/dbraw/zinc/79/80/59/556798059.db2.gz IFWCMLRTWBIPFY-KBKYJPHKSA-N 0 0 446.385 5.042 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1cccc(Br)c1 ZINC000409104920 556798068 /nfs/dbraw/zinc/79/80/68/556798068.db2.gz LEJQWELBRSLCAP-KIBLKLHPSA-N 0 0 437.263 5.716 40 30 IKEBRN Cc1c(CN=Nc2ccc(C(F)(F)F)cn2)c2ccccc2n1Cc1ccccc1F ZINC000409107928 556798755 /nfs/dbraw/zinc/79/87/55/556798755.db2.gz YFNZMCVZPZOQGC-VFLNYLIXSA-N 0 0 426.417 5.997 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2ccccc2)N(Cc2ccco2)C1=O ZINC000409107803 556798858 /nfs/dbraw/zinc/79/88/58/556798858.db2.gz QSLOXGUIHJVAKR-RFWMZAAKSA-N 0 0 438.936 6.136 40 30 IKEBRN C=CCc1cc(/C=C2/c3ccccc3NC2=O)cc(OCC)c1OCc1ccccc1C#N ZINC000409109632 556799997 /nfs/dbraw/zinc/79/99/97/556799997.db2.gz ILFQRHGQNUMLGY-IWIPYMOSSA-N 0 0 436.511 5.757 40 30 IKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409110557 556800686 /nfs/dbraw/zinc/80/06/86/556800686.db2.gz WKUHGIMDNLBXMZ-UHFFFAOYSA-N 0 0 439.958 7.106 40 30 IKEBRN Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N/c2sc3c(c2C#N)CCCC3)n1 ZINC000409110927 556801233 /nfs/dbraw/zinc/80/12/33/556801233.db2.gz AEHUHQAHMXTUGP-WYMPLXKRSA-N 0 0 449.561 5.715 40 30 IKEBRN O=C1/C(=N/c2ccc(F)cc2)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 ZINC000014920643 556801439 /nfs/dbraw/zinc/80/14/39/556801439.db2.gz IXYNYRDZCVBPMT-PBBVDAKRSA-N 0 0 427.523 5.205 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1Br ZINC000409113563 556803698 /nfs/dbraw/zinc/80/36/98/556803698.db2.gz HGWZVJDJEUJQIF-UHFFFAOYSA-N 0 0 425.164 6.005 40 30 IKEBRN O=C(Oc1ccc(/C=N/c2ccc(N3CCOCC3)cc2)cc1)c1cccc2ccccc21 ZINC000003191504 556804065 /nfs/dbraw/zinc/80/40/65/556804065.db2.gz UOQSRKAABFAWBW-ZTKZIYFRSA-N 0 0 436.511 5.646 40 30 IKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1ccc(F)cc1 ZINC000409114762 556805484 /nfs/dbraw/zinc/80/54/84/556805484.db2.gz ILMNXSZCMPOFBT-UHFFFAOYSA-N 0 0 425.931 6.716 40 30 IKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409117776 556810177 /nfs/dbraw/zinc/81/01/77/556810177.db2.gz MVSGRMUVTDDSLW-UHFFFAOYSA-N 0 0 437.967 6.667 40 30 IKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)ccc1OCc1ccc(Cl)cc1 ZINC000003321245 556810211 /nfs/dbraw/zinc/81/02/11/556810211.db2.gz GVDGAKYWOYJUHJ-ZMOGYAJESA-N 0 0 426.856 5.387 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccc(OCC)cc1 ZINC000409120448 556814196 /nfs/dbraw/zinc/81/41/96/556814196.db2.gz ZNXJMTMOQAGFQU-UHFFFAOYSA-N 0 0 441.163 5.787 40 30 IKEBRN Cc1ccc(NC(=O)c2c3c(sc2/N=C2/c4ccccc4N(C)C2=O)CCCC3)cc1 ZINC000409121816 556815339 /nfs/dbraw/zinc/81/53/39/556815339.db2.gz WQAUHELHRUWSTR-QYQHSDTDSA-N 0 0 429.545 5.285 40 30 IKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccc(F)cc1 ZINC000409122421 556816465 /nfs/dbraw/zinc/81/64/65/556816465.db2.gz YHPCTRAVTLHXLX-UHFFFAOYSA-N 0 0 425.931 6.716 40 30 IKEBRN CC[C@]1(C)C[C@@](CC/N=C/c2ccc(OC)c(OC)c2)(c2ccccc2OC)CCO1 ZINC000004951102 556825468 /nfs/dbraw/zinc/82/54/68/556825468.db2.gz HXQQXLYXXSIJSC-JPHMPOHMSA-N 0 0 425.569 5.439 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1cc([N+](=O)[O-])ccc1Cl ZINC000006077113 556828378 /nfs/dbraw/zinc/82/83/78/556828378.db2.gz ROABCZJZJLHQTN-DEOSSOPVSA-N 0 0 432.907 6.711 40 30 IKEBRN CCN1C(=O)/C(=C/C=C2/Sc3ccc(Cl)cc3N2C)S/C1=N\c1ccccc1C ZINC000006078604 556828614 /nfs/dbraw/zinc/82/86/14/556828614.db2.gz ONQVUWZKTLKKKS-LSOGTARGSA-N 0 0 442.009 6.199 40 30 IKEBRN C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(OCC)c1OCC ZINC000408766848 556829943 /nfs/dbraw/zinc/82/99/43/556829943.db2.gz HKFRNQMSJLFUIP-YVVITCHPSA-N 0 0 438.593 5.375 40 30 IKEBRN COc1ccc(-c2nn(-c3ccccc3)cc2C=NNc2ccccc2Cl)cc1OC ZINC000006304440 556832652 /nfs/dbraw/zinc/83/26/52/556832652.db2.gz XAPYIWWDMLITDQ-CVKSISIWSA-N 0 0 432.911 5.656 40 30 IKEBRN C#CCN1C(=O)S/C(=C\c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C1=O ZINC000409126481 556832980 /nfs/dbraw/zinc/83/29/80/556832980.db2.gz OMRBETPGDXCJJT-WQRHYEAKSA-N 0 0 443.366 5.143 40 30 IKEBRN COc1c(Cl)cc(Cl)cc1/C=N/c1nc(-c2ccc(Br)cc2)cs1 ZINC000006905750 556840684 /nfs/dbraw/zinc/84/06/84/556840684.db2.gz IDNXCEYRLCXNTQ-ODCIPOBUSA-N 0 0 442.165 6.639 40 30 IKEBRN COc1ccccc1OCCCn1cc(C=C2C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000409130928 556841823 /nfs/dbraw/zinc/84/18/23/556841823.db2.gz IVTQGFXXFLXJLG-UHFFFAOYSA-N 0 0 437.495 5.582 40 30 IKEBRN N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 ZINC000409131713 556842241 /nfs/dbraw/zinc/84/22/41/556842241.db2.gz XUFAVQFQGDWYJR-OEAKJJBVSA-N 0 0 432.545 5.754 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408776567 556847348 /nfs/dbraw/zinc/84/73/48/556847348.db2.gz VZORCWFPTRXOQA-NDENLUEZSA-N 0 0 442.371 6.293 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408773965 556848174 /nfs/dbraw/zinc/84/81/74/556848174.db2.gz URCAMFQDNHYPJT-UUYOSTAYSA-N 0 0 446.532 5.511 40 30 IKEBRN Cc1cc(/C=N\c2ccccc2Br)c(C)n1-c1ccc(Br)cc1 ZINC000408774307 556848198 /nfs/dbraw/zinc/84/81/98/556848198.db2.gz UQOXADNEIGPTAH-UUYOSTAYSA-N 0 0 432.159 6.370 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(Cl)c2)cc(OC)c1OCc1ccc(F)cc1 ZINC000409137087 556849937 /nfs/dbraw/zinc/84/99/37/556849937.db2.gz WHQOVUDIBKNNEY-UHFFFAOYSA-N 0 0 425.931 6.716 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1Cl ZINC000408778903 556853749 /nfs/dbraw/zinc/85/37/49/556853749.db2.gz ZMMYKDOYTXPCSZ-BIFPGVLTSA-N 0 0 447.044 6.676 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1Cl ZINC000408780079 556854285 /nfs/dbraw/zinc/85/42/85/556854285.db2.gz RNNBHAGYCVIULT-GCXIQGEKSA-N 0 0 434.948 6.153 40 30 IKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(OC)cc4)NC3=O)c2c1 ZINC000408780624 556854484 /nfs/dbraw/zinc/85/44/84/556854484.db2.gz GONAWLZICUDJTJ-HAHDFKILSA-N 0 0 448.544 5.537 40 30 IKEBRN Cc1cc(/C=N/c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)n1-c1ccc(F)cc1 ZINC000408780539 556854588 /nfs/dbraw/zinc/85/45/88/556854588.db2.gz DBNXYRXMOHELCP-FDAWAROLSA-N 0 0 426.579 7.452 40 30 IKEBRN COc1ccc2ccccc2c1/C=C1/SC(=Nc2cccc(Cl)c2Cl)NC1=O ZINC000408783213 556854996 /nfs/dbraw/zinc/85/49/96/556854996.db2.gz MGKBVXMPTMXDGF-WOJGMQOQSA-N 0 0 429.328 6.047 40 30 IKEBRN CCN(CC)c1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(O)c1 ZINC000408785907 556855858 /nfs/dbraw/zinc/85/58/58/556855858.db2.gz JOHDZFIGPHQOJD-YVLHZVERSA-N 0 0 436.364 5.437 40 30 IKEBRN O=C(COc1ccc(/C=N\c2cccc(Br)c2)cc1)Nc1ccccc1Cl ZINC000408802901 556859656 /nfs/dbraw/zinc/85/96/56/556859656.db2.gz IZKODWZMKZQGEO-CFRMEGHHSA-N 0 0 443.728 5.871 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)NCc1ccco1 ZINC000408802910 556859701 /nfs/dbraw/zinc/85/97/01/556859701.db2.gz JBTNJGCRYCVCKZ-RAWMCFOBSA-N 0 0 436.817 5.398 40 30 IKEBRN COc1cc(/C=C2\Sc3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408817965 556864437 /nfs/dbraw/zinc/86/44/37/556864437.db2.gz XFDRCEWJKUDSTJ-MTJSOVHGSA-N 0 0 443.351 6.911 40 30 IKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000408819115 556864779 /nfs/dbraw/zinc/86/47/79/556864779.db2.gz ZNGGZFSGODQMSW-UCQKPKSFSA-N 0 0 427.504 5.720 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1cccn1-c1ccc(Cl)cc1 ZINC000408818802 556864804 /nfs/dbraw/zinc/86/48/04/556864804.db2.gz OYCIFFKFZVTZQS-WQRHYEAKSA-N 0 0 448.762 6.329 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)SC1=S ZINC000408813976 556864975 /nfs/dbraw/zinc/86/49/75/556864975.db2.gz FMRTWSHLZFGNRL-YVLHZVERSA-N 0 0 433.396 5.244 40 30 IKEBRN C=CCOc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000408822784 556865504 /nfs/dbraw/zinc/86/55/04/556865504.db2.gz MBPSARFXBSJBLV-ATVHPVEESA-N 0 0 446.322 5.263 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC ZINC000408823321 556865553 /nfs/dbraw/zinc/86/55/53/556865553.db2.gz NTMSMOVGGCAUMS-ATVHPVEESA-N 0 0 430.323 5.427 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=C1\SC(=Nc2cc(C)c(C)c([N+](=O)[O-])c2)NC1=O ZINC000408819793 556865694 /nfs/dbraw/zinc/86/56/94/556865694.db2.gz TYENOXPWQXGDCJ-NVMNQCDNSA-N 0 0 431.901 5.155 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(C)C2=O)cc(OC)c1OCc1ccc2ccccc2c1 ZINC000408820170 556865971 /nfs/dbraw/zinc/86/59/71/556865971.db2.gz VUKKXVHTDNJAMQ-HAHDFKILSA-N 0 0 445.540 5.822 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)S2)c1 ZINC000408821360 556866258 /nfs/dbraw/zinc/86/62/58/556866258.db2.gz GOWTVVNGCPBRPR-OYKKKHCWSA-N 0 0 441.531 6.029 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O ZINC000408824574 556866525 /nfs/dbraw/zinc/86/65/25/556866525.db2.gz RDXMBAGQWDRDFF-PDGQHHTCSA-N 0 0 429.339 5.214 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)SC1=S ZINC000408830179 556866705 /nfs/dbraw/zinc/86/67/05/556866705.db2.gz YHAAVWJPAJLHLD-DHDCSXOGSA-N 0 0 440.771 5.750 40 30 IKEBRN CC(=O)Nc1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000408843840 556868278 /nfs/dbraw/zinc/86/82/78/556868278.db2.gz HFXPVMLGSWZQLK-SSDVNMTOSA-N 0 0 449.757 6.556 40 30 IKEBRN CC/N=C1\S/C(=C\c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)C(=O)N1CC ZINC000408843679 556868372 /nfs/dbraw/zinc/86/83/72/556868372.db2.gz APTGYTRZUNTINB-YYZJCZGKSA-N 0 0 440.308 5.474 40 30 IKEBRN Cc1c(Br)c(/C=N/c2ccc(Br)cc2)c(C)n1-c1ccccc1 ZINC000408848029 556869575 /nfs/dbraw/zinc/86/95/75/556869575.db2.gz PABZNWAKSHQLKX-WSDLNYQXSA-N 0 0 432.159 6.370 40 30 IKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1[N+](=O)[O-] ZINC000408852256 556869739 /nfs/dbraw/zinc/86/97/39/556869739.db2.gz QYWPFDVXVHNYRX-OYKKKHCWSA-N 0 0 435.505 5.547 40 30 IKEBRN C/N=C1/S/C(=C\c2cc(C)n(-c3ccc(OCc4ccc(F)cc4)cc3)c2C)C(=O)N1C ZINC000408852026 556869754 /nfs/dbraw/zinc/86/97/54/556869754.db2.gz PWELQAVQAGYUAC-BBZGBGGVSA-N 0 0 449.551 5.344 40 30 IKEBRN C=CCn1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 ZINC000408852875 556870240 /nfs/dbraw/zinc/87/02/40/556870240.db2.gz WUUWTOOBNAHWGO-QRQIAZFYSA-N 0 0 439.584 6.771 40 30 IKEBRN CC(=O)c1ccc(N=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000408849620 556870351 /nfs/dbraw/zinc/87/03/51/556870351.db2.gz XUNDTAOMSMNYDS-SSDVNMTOSA-N 0 0 434.742 6.800 40 30 IKEBRN O=C1/C(=C/c2cc(Cl)ccc2O)S/C(=N\c2ccccc2F)N1C1CCCCC1 ZINC000408849060 556870388 /nfs/dbraw/zinc/87/03/88/556870388.db2.gz UEFIEHUQVGSZBQ-ORVWWNJKSA-N 0 0 430.932 6.121 40 30 IKEBRN CCN(CC)c1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)o1 ZINC000408851317 556870974 /nfs/dbraw/zinc/87/09/74/556870974.db2.gz XUPRHQADAHWSHU-MYYYXRDXSA-N 0 0 425.554 5.340 40 30 IKEBRN CC/N=C1\S/C(=C\c2c(OCc3ccc(F)cc3)ccc3ccccc32)C(=O)N1CC ZINC000408856708 556870983 /nfs/dbraw/zinc/87/09/83/556870983.db2.gz LEOJAPDLEXLUJG-KHHYFDFNSA-N 0 0 434.536 5.870 40 30 IKEBRN Cc1[nH]c2ccccc2c1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O ZINC000408857266 556871100 /nfs/dbraw/zinc/87/11/00/556871100.db2.gz NLYAPLIFVFBOQT-NFNJRCMKSA-N 0 0 429.589 6.659 40 30 IKEBRN CC(C)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000408857406 556871135 /nfs/dbraw/zinc/87/11/35/556871135.db2.gz UXGNWUBZZPFROZ-FSJBWODESA-N 0 0 434.786 7.721 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OC ZINC000408858105 556871172 /nfs/dbraw/zinc/87/11/72/556871172.db2.gz JRESHBBDWIAFKO-GCTLURRCSA-N 0 0 436.577 5.887 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCC3)o2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408858634 556871475 /nfs/dbraw/zinc/87/14/75/556871475.db2.gz ZSAKKLPUNVREFP-AUERHCTOSA-N 0 0 429.545 5.684 40 30 IKEBRN CC(=O)c1cccc(N=Cc2cc(Br)c(Sc3ccc(Cl)cc3)o2)c1 ZINC000408854269 556871696 /nfs/dbraw/zinc/87/16/96/556871696.db2.gz BFRKANIFVNWKHH-SSDVNMTOSA-N 0 0 434.742 6.800 40 30 IKEBRN CCOc1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)ccc1OC ZINC000408854491 556871740 /nfs/dbraw/zinc/87/17/40/556871740.db2.gz GPRMVSPIZSKXEH-WGARJPEWSA-N 0 0 438.549 5.308 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(C)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408855611 556871895 /nfs/dbraw/zinc/87/18/95/556871895.db2.gz HBCRMKVULDQLRI-MRUKODCESA-N 0 0 445.306 5.938 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2cn(C)c3ccccc23)S/C1=N\c1ccccc1 ZINC000408859789 556872163 /nfs/dbraw/zinc/87/21/63/556872163.db2.gz ZBMPVKPALAKNRM-KNVBRFRNSA-N 0 0 429.589 6.361 40 30 IKEBRN C[C@@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cccc3ccccc23)S/C1=N\c1ccccc1 ZINC000408859938 556872183 /nfs/dbraw/zinc/87/21/83/556872183.db2.gz VVEMSJFVKIMMJX-LGCXQFENSA-N 0 0 426.585 7.023 40 30 IKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1 ZINC000408859583 556872202 /nfs/dbraw/zinc/87/22/02/556872202.db2.gz YJJPVFAWVDJOCL-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN CCOc1cc(C=NN2C(=S)N=NC2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000408863458 556872655 /nfs/dbraw/zinc/87/26/55/556872655.db2.gz SACHOXQVMOZFJT-LSHDLFTRSA-N 0 0 437.352 5.042 40 30 IKEBRN Cc1cc(C=NN2C(=S)N=NC2C)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000408863158 556872662 /nfs/dbraw/zinc/87/26/62/556872662.db2.gz PTVKAYPVJRNMLW-JFLMPSFJSA-N 0 0 445.636 5.633 40 30 IKEBRN Cc1cc(Cl)ccc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 ZINC000408863507 556872716 /nfs/dbraw/zinc/87/27/16/556872716.db2.gz OVXXFIJKGJPSQP-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN O=C(Oc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1)c1ccccc1 ZINC000409137848 556872910 /nfs/dbraw/zinc/87/29/10/556872910.db2.gz WVPUFDQTCFQQFY-UHFFFAOYSA-N 0 0 445.478 5.165 40 30 IKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2ccc(N3CCCCC3)o2)S/C1=N\c1ccccc1 ZINC000408866628 556873574 /nfs/dbraw/zinc/87/35/74/556873574.db2.gz HLDDIBDFEFZNDB-WTBXGWCDSA-N 0 0 449.620 6.453 40 30 IKEBRN C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O ZINC000409145559 556874416 /nfs/dbraw/zinc/87/44/16/556874416.db2.gz IVANHUQVIAPYCA-WOJGMQOQSA-N 0 0 447.318 5.050 40 30 IKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 ZINC000408874911 556874508 /nfs/dbraw/zinc/87/45/08/556874508.db2.gz FFTHBMBNJREPIN-ZDLGFXPLSA-N 0 0 433.291 6.284 40 30 IKEBRN CCOC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408869931 556874617 /nfs/dbraw/zinc/87/46/17/556874617.db2.gz RCRZKSMDSHAECJ-NHRXPWHVSA-N 0 0 448.588 6.046 40 30 IKEBRN CCOC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408869933 556874757 /nfs/dbraw/zinc/87/47/57/556874757.db2.gz RCRZKSMDSHAECJ-QBPOCAQUSA-N 0 0 448.588 6.046 40 30 IKEBRN C=CCN1C(=O)S/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C1=O ZINC000409147758 556875130 /nfs/dbraw/zinc/87/51/30/556875130.db2.gz WCYGECDKLPPWFH-STZFKDTASA-N 0 0 438.936 5.596 40 30 IKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)c1OC ZINC000408872526 556875242 /nfs/dbraw/zinc/87/52/42/556875242.db2.gz FUEAUQQPHVPXTP-BNUIPMERSA-N 0 0 440.540 5.780 40 30 IKEBRN CCCCOc1ccc(/C=C2\SC(=Nc3cc(Cl)ccc3OC)NC2=O)cc1OC ZINC000408873355 556875569 /nfs/dbraw/zinc/87/55/69/556875569.db2.gz UEHMVRIYEHYRRQ-NDENLUEZSA-N 0 0 446.956 5.428 40 30 IKEBRN Cc1cccc(Cn2cc(/C=C3\SC(=Nc4ccccc4F)NC3=O)c3ccccc32)c1 ZINC000408874434 556875853 /nfs/dbraw/zinc/87/58/53/556875853.db2.gz BJKDKZWNDKYYNQ-OYKKKHCWSA-N 0 0 441.531 6.029 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O ZINC000409151042 556876520 /nfs/dbraw/zinc/87/65/20/556876520.db2.gz FYTQSSBKSCVARP-YDZHTSKRSA-N 0 0 444.487 5.513 40 30 IKEBRN COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O ZINC000408875836 556876625 /nfs/dbraw/zinc/87/66/25/556876625.db2.gz LSLGYPKGWOLNMY-PVSWKLMISA-N 0 0 440.996 6.531 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1OCC(C)C ZINC000408880644 556878235 /nfs/dbraw/zinc/87/82/35/556878235.db2.gz HQOCRTBFMLUELI-JMIUGGIZSA-N 0 0 430.957 5.583 40 30 IKEBRN CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3C#N)C2=O)cc1OCC ZINC000409152460 556878270 /nfs/dbraw/zinc/87/82/70/556878270.db2.gz BDUNZHIZCWYSRX-HMAPJEAMSA-N 0 0 436.533 5.372 40 30 IKEBRN CC(=O)c1ccc(-c2ccc(C=C3SC(=O)N(Cc4ccccc4C#N)C3=O)o2)cc1 ZINC000409152069 556878311 /nfs/dbraw/zinc/87/83/11/556878311.db2.gz IVOUOEUAOQRSLQ-WSDLNYQXSA-N 0 0 428.469 5.257 40 30 IKEBRN COc1cccc(CN=Nc2ccc([N+](=O)[O-])cn2)c1OCc1cccc2ccccc21 ZINC000408887389 556879285 /nfs/dbraw/zinc/87/92/85/556879285.db2.gz NTBKGCGPDDNLKZ-VULFUBBASA-N 0 0 428.448 5.177 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC(=O)c4cccc(F)c4)c3)S2)cc1 ZINC000408887921 556879950 /nfs/dbraw/zinc/87/99/50/556879950.db2.gz SCOLEOFSGVXPDI-BKUYFWCQSA-N 0 0 432.476 5.245 40 30 IKEBRN Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c1 ZINC000409157579 556880323 /nfs/dbraw/zinc/88/03/23/556880323.db2.gz WBYYLCNLTNVIED-ZVHZXABRSA-N 0 0 440.524 5.682 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O ZINC000409157505 556880425 /nfs/dbraw/zinc/88/04/25/556880425.db2.gz QWTRCRCUOWKNJW-YDZHTSKRSA-N 0 0 444.487 5.513 40 30 IKEBRN Cc1ccc(C(=O)Oc2ccc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)cc2)cc1 ZINC000408895346 556880962 /nfs/dbraw/zinc/88/09/62/556880962.db2.gz MJRNSDKJAYSMOW-STZFKDTASA-N 0 0 448.931 5.759 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3cccc(Cl)c3)cc2)c([N+](=O)[O-])c1 ZINC000408900078 556882056 /nfs/dbraw/zinc/88/20/56/556882056.db2.gz SOXLVSSKIHKRKA-WSDLNYQXSA-N 0 0 426.816 5.181 40 30 IKEBRN CCCn1cc(C2C3=C(CCCC3=O)N(CCOC)C3=C2C(=O)CCC3)c2ccccc21 ZINC000408899369 556882108 /nfs/dbraw/zinc/88/21/08/556882108.db2.gz UAXYJQWPTTUDPM-UHFFFAOYSA-N 0 0 432.564 5.111 40 30 IKEBRN O=C1CCCC2=C1C(c1cn(Cc3ccc(F)cc3)c3ccccc13)C1=C(CCCC1=O)O2 ZINC000408900573 556882256 /nfs/dbraw/zinc/88/22/56/556882256.db2.gz YXALADMCOLAQEY-UHFFFAOYSA-N 0 0 441.502 5.957 40 30 IKEBRN CCn1cc(C2C3=C(CCCC3=O)N(CCCOC)C3=C2C(=O)CCC3)c2ccccc21 ZINC000408900678 556882325 /nfs/dbraw/zinc/88/23/25/556882325.db2.gz ZORJCFAEMZNYBN-UHFFFAOYSA-N 0 0 432.564 5.111 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC(=O)c4ccc(C)cc4)c3)S2)cc1 ZINC000408897538 556883049 /nfs/dbraw/zinc/88/30/49/556883049.db2.gz XRAVBQQWZRWQLZ-JCMHNJIXSA-N 0 0 428.513 5.414 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC)c3OCc3ccccc3)S2)cc1 ZINC000408897453 556883120 /nfs/dbraw/zinc/88/31/20/556883120.db2.gz SENHHXUMSVDOOK-JCMHNJIXSA-N 0 0 446.528 5.174 40 30 IKEBRN CCOc1ccc(/C=N/c2cccc(Br)c2)cc1I ZINC000408903914 556883606 /nfs/dbraw/zinc/88/36/06/556883606.db2.gz BEBWNDPUVQYIOS-VCHYOVAHSA-N 0 0 430.083 5.203 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc(Cl)c([N+](=O)[O-])c2)cc1I ZINC000408903828 556883725 /nfs/dbraw/zinc/88/37/25/556883725.db2.gz AACDFDLEARWAIT-GIJQJNRQSA-N 0 0 430.629 5.002 40 30 IKEBRN O=C1/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408905861 556884169 /nfs/dbraw/zinc/88/41/69/556884169.db2.gz FVQCOWNVEPZEGZ-LISDSOCTSA-N 0 0 449.919 6.052 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)S/C1=N\c1ccccc1 ZINC000408906455 556884367 /nfs/dbraw/zinc/88/43/67/556884367.db2.gz BOOPGEFRKPZYQY-ZIGJTDFESA-N 0 0 444.398 5.529 40 30 IKEBRN C[C@@H](c1ccccc1)N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)S/C1=N\c1ccccc1 ZINC000408906221 556884373 /nfs/dbraw/zinc/88/43/73/556884373.db2.gz BBFGPCBQEYFCLJ-ULWVPNJNSA-N 0 0 429.501 5.960 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1OC ZINC000408906067 556884420 /nfs/dbraw/zinc/88/44/20/556884420.db2.gz HAHVXENPRPMLJP-UINIZAEWSA-N 0 0 444.556 5.898 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(OCC(C)C)c3ccccc23)S/C1=N\c1ccccc1 ZINC000408906912 556884683 /nfs/dbraw/zinc/88/46/83/556884683.db2.gz FCWFARGINKWULU-FUQOYWQNSA-N 0 0 444.600 6.889 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000408907070 556884733 /nfs/dbraw/zinc/88/47/33/556884733.db2.gz LMRSSDBJANRJGJ-PEBOIGEYSA-N 0 0 428.557 6.451 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N\c1ccccc1 ZINC000408907710 556884961 /nfs/dbraw/zinc/88/49/61/556884961.db2.gz OYDVBAFDMFDOBA-KWPJTZOTSA-N 0 0 428.557 6.280 40 30 IKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 ZINC000408912700 556886519 /nfs/dbraw/zinc/88/65/19/556886519.db2.gz QZFXCHUKDNEPRS-AWBWHEFQSA-N 0 0 434.948 6.411 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)S/C1=N\c1ccccc1 ZINC000408912776 556886531 /nfs/dbraw/zinc/88/65/31/556886531.db2.gz RJZJUVVKCRXVQK-NVZLDUMVSA-N 0 0 433.489 5.869 40 30 IKEBRN CC[C@H](C)N1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912649 556886544 /nfs/dbraw/zinc/88/65/44/556886544.db2.gz OIYLFMPADNFOMN-TWIAQIIMSA-N 0 0 430.957 5.765 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)(C)C)cc3)C(=O)N2C2CCCCC2)cc1 ZINC000408912559 556886631 /nfs/dbraw/zinc/88/66/31/556886631.db2.gz NVOTXXDSLCKHNE-DCPLYQDGSA-N 0 0 432.633 7.229 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C(C)C)cc3)C(=O)N2Cc2ccccc2)cc1 ZINC000408912630 556886644 /nfs/dbraw/zinc/88/66/44/556886644.db2.gz OGNTVPNTEWDBRA-FUQOYWQNSA-N 0 0 426.585 6.923 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)cc1 ZINC000408908177 556886840 /nfs/dbraw/zinc/88/68/40/556886840.db2.gz BKMUECQWWNTEIM-MYKKPKGFSA-N 0 0 434.254 6.066 40 30 IKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O ZINC000408909007 556886974 /nfs/dbraw/zinc/88/69/74/556886974.db2.gz BLHUQNVHRURBGM-UINIZAEWSA-N 0 0 428.557 6.511 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(C3CCCCC3)C2=O)cc1 ZINC000408908710 556887052 /nfs/dbraw/zinc/88/70/52/556887052.db2.gz BBIDPOUSUBKFAW-KWPJTZOTSA-N 0 0 434.605 6.584 40 30 IKEBRN C#CCn1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 ZINC000408909842 556887577 /nfs/dbraw/zinc/88/75/77/556887577.db2.gz HRAPAZKRELFGSL-QRQIAZFYSA-N 0 0 437.568 6.218 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc4ccccc34)C(=O)N2Cc2ccccc2)cc1 ZINC000408910261 556887761 /nfs/dbraw/zinc/88/77/61/556887761.db2.gz GQEAPUZQOCVPHC-GEZLPURSSA-N 0 0 434.564 6.952 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1O ZINC000408910255 556887797 /nfs/dbraw/zinc/88/77/97/556887797.db2.gz GOYNSLJWQFBJAU-JUMVDPBBSA-N 0 0 430.529 5.513 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccccc3CC)N(C)C2=O)ccc1OCC(C)C ZINC000408910616 556887801 /nfs/dbraw/zinc/88/78/01/556887801.db2.gz HEOFGNYBXLIKLK-HUOZHCEOSA-N 0 0 438.593 5.916 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(C(=O)OC)cc3)o2)S/C1=N\c1ccc(C)cc1 ZINC000408910231 556887826 /nfs/dbraw/zinc/88/78/26/556887826.db2.gz GJMKRSMMJAWPDX-JUMVDPBBSA-N 0 0 446.528 5.666 40 30 IKEBRN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 ZINC000408911035 556887967 /nfs/dbraw/zinc/88/79/67/556887967.db2.gz IPIYVVCUTHKEHM-YCJCGMCGSA-N 0 0 444.556 6.129 40 30 IKEBRN O=C1/C(=C\c2cccc3ccccc23)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000408911304 556887983 /nfs/dbraw/zinc/88/79/83/556887983.db2.gz MVBAAUFVSJUPEL-UVUXTFCJSA-N 0 0 434.564 6.687 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(C)c([N+](=O)[O-])c3)C(=O)N2C2CCCCC2)cc1 ZINC000408910987 556888011 /nfs/dbraw/zinc/88/80/11/556888011.db2.gz IJLRJFGIEKHFNX-LBMUFILHSA-N 0 0 435.549 6.148 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2ccc(Br)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408911567 556888258 /nfs/dbraw/zinc/88/82/58/556888258.db2.gz KCNVLFKHLFLZLH-ZIGJTDFESA-N 0 0 429.383 6.162 40 30 IKEBRN CC(C)(C)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408911875 556888516 /nfs/dbraw/zinc/88/85/16/556888516.db2.gz OVEVWLQDFOHFNZ-AZHUGQJKSA-N 0 0 440.612 6.831 40 30 IKEBRN O=C1/C(=C/c2cc(Br)cs2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000408917277 556888850 /nfs/dbraw/zinc/88/88/50/556888850.db2.gz QFYCGLRWSTYVIS-HDRGVUIASA-N 0 0 445.363 5.908 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408913398 556889114 /nfs/dbraw/zinc/88/91/14/556889114.db2.gz QMGSVWBSXBYENU-DNLCFCFBSA-N 0 0 429.929 5.961 40 30 IKEBRN CCOC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1 ZINC000408913411 556889211 /nfs/dbraw/zinc/88/92/11/556889211.db2.gz QRAMTIIOWGXGQL-RZZGQMAMSA-N 0 0 428.513 5.672 40 30 IKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408913943 556889358 /nfs/dbraw/zinc/88/93/58/556889358.db2.gz WEOBTVJSHQKRBE-GATIEOLUSA-N 0 0 444.850 5.206 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3cccc4ccccc34)C(=O)N2C2CCCCC2)cc1 ZINC000408913672 556889381 /nfs/dbraw/zinc/88/93/81/556889381.db2.gz RDIUPUOXAONPBS-AJGXWLHTSA-N 0 0 426.585 7.085 40 30 IKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(Br)cc1O[C@@H](C)CC ZINC000408914244 556889687 /nfs/dbraw/zinc/88/96/87/556889687.db2.gz XMOKSIADRXLTAG-KUARTLJMSA-N 0 0 436.306 5.379 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc4c(c3)OCO4)C(=O)N2Cc2ccccc2)cc1 ZINC000408914641 556889768 /nfs/dbraw/zinc/88/97/68/556889768.db2.gz VLDXMCYDOSTRJK-WRIATZMJSA-N 0 0 428.513 5.528 40 30 IKEBRN CCOc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1 ZINC000408914813 556889776 /nfs/dbraw/zinc/88/97/76/556889776.db2.gz WHANPFPEUWAUPR-UINIZAEWSA-N 0 0 428.557 6.511 40 30 IKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1cccc(C)c1 ZINC000408914479 556889791 /nfs/dbraw/zinc/88/97/91/556889791.db2.gz YAJVUTVNROLZHT-QFEZKATASA-N 0 0 439.899 5.980 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)N1C ZINC000408915359 556890106 /nfs/dbraw/zinc/89/01/06/556890106.db2.gz XTKKWQMOQGBCEY-NFEGURHZSA-N 0 0 433.489 5.651 40 30 IKEBRN C=CCc1cc(C=C2C(=O)c3ccccc3C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000408915560 556890357 /nfs/dbraw/zinc/89/03/57/556890357.db2.gz XUYFMAZSNYCOPW-UHFFFAOYSA-N 0 0 444.914 6.119 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3ccc(C(=O)OC)cc3)o2)C(=O)N1C ZINC000408915772 556890535 /nfs/dbraw/zinc/89/05/35/556890535.db2.gz ZYCQIQWPHYTMMB-JUMVDPBBSA-N 0 0 446.528 5.529 40 30 IKEBRN N#Cc1c(/N=C/c2ccc(-c3cccc(Cl)c3)o2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408919002 556891394 /nfs/dbraw/zinc/89/13/94/556891394.db2.gz ROUHBNMALCSFGV-FDAWAROLSA-N 0 0 448.909 8.149 40 30 IKEBRN CC[C@@H](C)Oc1c(Br)cc(/C=N/c2ccc(N3CCOCC3)cc2)cc1OC ZINC000408931786 556892948 /nfs/dbraw/zinc/89/29/48/556892948.db2.gz QGXQZKZSBPZNNC-DTVDJLOLSA-N 0 0 447.373 5.222 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408928568 556893359 /nfs/dbraw/zinc/89/33/59/556893359.db2.gz CLROBUFHSCJFPJ-HLTANSAUSA-N 0 0 435.549 5.030 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(C)n(-c3cccc(Br)c3)c2C)C(=O)N1CC ZINC000408929802 556893929 /nfs/dbraw/zinc/89/39/29/556893929.db2.gz OIDSSCZLMKATSR-HZMZRVLWSA-N 0 0 432.387 5.169 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N/C)N(C)C2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000408930290 556894360 /nfs/dbraw/zinc/89/43/60/556894360.db2.gz UYPJNVXOJJDHAI-DBPHPPTCSA-N 0 0 430.957 5.158 40 30 IKEBRN CC/N=C1/S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1CC ZINC000408931333 556894722 /nfs/dbraw/zinc/89/47/22/556894722.db2.gz KDXQKBVLRBNLLS-LVKIEVKJSA-N 0 0 435.376 5.885 40 30 IKEBRN FC(F)(F)c1cccc(-n2cccc2/C=N\c2ccc(I)cc2)c1 ZINC000408932741 556894727 /nfs/dbraw/zinc/89/47/27/556894727.db2.gz DUASHDPNQIYNBV-FMCGGJTJSA-N 0 0 440.206 5.851 40 30 IKEBRN Cc1ccc(COc2ccc3ccccc3c2C=NNc2ccc(C(F)(F)F)cc2)cc1 ZINC000408932789 556894871 /nfs/dbraw/zinc/89/48/71/556894871.db2.gz FAFYXMJSKZGLRP-UHBFCERESA-N 0 0 434.461 7.192 40 30 IKEBRN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccc(Br)cc2)cc1 ZINC000408932739 556894876 /nfs/dbraw/zinc/89/48/76/556894876.db2.gz DTRPCKUIYPUMPP-ZMFRSBBQSA-N 0 0 449.270 6.493 40 30 IKEBRN CC/N=C1/S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1CC ZINC000408932816 556894990 /nfs/dbraw/zinc/89/49/90/556894990.db2.gz ZKPUQJXOXZUKLP-ONNNIBOUSA-N 0 0 435.376 5.885 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408933464 556894994 /nfs/dbraw/zinc/89/49/94/556894994.db2.gz ADFRWNKVJFMONB-BBHADXTRSA-N 0 0 448.566 6.674 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1OCC ZINC000408933573 556895026 /nfs/dbraw/zinc/89/50/26/556895026.db2.gz AWQXCYDXPHSWOB-HVGHKUKKSA-N 0 0 438.571 7.061 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(OCc3ccccc3F)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000408934273 556895294 /nfs/dbraw/zinc/89/52/94/556895294.db2.gz ABJMODLAXMVCKM-KSEXSDGBSA-N 0 0 444.806 5.321 40 30 IKEBRN Clc1cc(/C=N/c2ccc(N3CCOCC3)cc2)cc(Cl)c1OCc1ccccc1 ZINC000408932386 556896088 /nfs/dbraw/zinc/89/60/88/556896088.db2.gz WNFNNLWWVIFLMP-JVWAILMASA-N 0 0 441.358 6.160 40 30 IKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cc2)ccc1OCc1ccc(F)cc1 ZINC000408932582 556896149 /nfs/dbraw/zinc/89/61/49/556896149.db2.gz XSCCKUPBONWHGW-MUXKCCDJSA-N 0 0 432.417 6.268 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1O ZINC000408939294 556896480 /nfs/dbraw/zinc/89/64/80/556896480.db2.gz MGVBRIPYDRSOKU-ROXLPIEOSA-N 0 0 444.962 6.940 40 30 IKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408941175 556896675 /nfs/dbraw/zinc/89/66/75/556896675.db2.gz OUAVVNZYWXPSCU-HGPMORKZSA-N 0 0 442.990 7.706 40 30 IKEBRN CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408941690 556896890 /nfs/dbraw/zinc/89/68/90/556896890.db2.gz PJNPTOQCXIUJEC-GIDUJCDVSA-N 0 0 440.710 5.941 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1OC ZINC000408937308 556896913 /nfs/dbraw/zinc/89/69/13/556896913.db2.gz ISFLKLJBVLNBIC-STWATBMFSA-N 0 0 438.571 6.979 40 30 IKEBRN CCOc1cc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)ccc1OC ZINC000408938308 556897070 /nfs/dbraw/zinc/89/70/70/556897070.db2.gz PZYCHQHCNDJMLI-STWATBMFSA-N 0 0 438.571 6.979 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408938618 556897167 /nfs/dbraw/zinc/89/71/67/556897167.db2.gz LEVWEVSHASTCOE-VGFAGTAPSA-N 0 0 442.990 7.624 40 30 IKEBRN C=CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1 ZINC000408945996 556897297 /nfs/dbraw/zinc/89/72/97/556897297.db2.gz XWATYTIRQAQUED-HGPMORKZSA-N 0 0 440.974 7.482 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc(Cl)c1OC ZINC000408944767 556897412 /nfs/dbraw/zinc/89/74/12/556897412.db2.gz VASXXQAHMWZQSS-MBZYMXRXSA-N 0 0 444.962 6.934 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408946043 556897568 /nfs/dbraw/zinc/89/75/68/556897568.db2.gz XZFFVZAVOACMJF-LUFODCTDSA-N 0 0 442.990 7.624 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3cccc(F)c3)S2)cc1 ZINC000408953144 556897721 /nfs/dbraw/zinc/89/77/21/556897721.db2.gz OLHOULCXIOAGDG-HZHRSRAPSA-N 0 0 448.519 5.695 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc(C)cc3)S2)cc1 ZINC000408953140 556897764 /nfs/dbraw/zinc/89/77/64/556897764.db2.gz OLBXVOCSSGHVMO-LFVJCYFKSA-N 0 0 444.556 5.864 40 30 IKEBRN Cc1sc(N=NCc2cccc(OC(=O)c3ccccc3F)c2)nc1-c1ccccc1 ZINC000408949835 556897816 /nfs/dbraw/zinc/89/78/16/556897816.db2.gz GGKODNJXYMOQFK-CVKSISIWSA-N 0 0 431.492 5.923 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4cccc(C)c4C)c3C)S2)cc1 ZINC000408949553 556897869 /nfs/dbraw/zinc/89/78/69/556897869.db2.gz BKEHCBAKSJOWMK-BUVRLJJBSA-N 0 0 445.588 6.001 40 30 IKEBRN CN(C)c1ccc(-n2cccc2/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000408952703 556898620 /nfs/dbraw/zinc/89/86/20/556898620.db2.gz MGIKXSLLSDOXGJ-NLRVBDNBSA-N 0 0 442.544 6.353 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4ccc(C(=O)OC)cc4)o3)S2)cc1 ZINC000408955969 556898813 /nfs/dbraw/zinc/89/88/13/556898813.db2.gz ZFYLJIFEUPCBSI-KGENOOAVSA-N 0 0 448.500 5.024 40 30 IKEBRN Cc1ccc(Cl)cc1N=C1NC(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)S1 ZINC000408953505 556898904 /nfs/dbraw/zinc/89/89/04/556898904.db2.gz PZORGWYODUYIHZ-STZFKDTASA-N 0 0 436.968 5.397 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)S2)cc1 ZINC000408956073 556899050 /nfs/dbraw/zinc/89/90/50/556899050.db2.gz ZWMMOANKYITCRE-HZHRSRAPSA-N 0 0 448.519 5.695 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCC)c(OC)c3)S2)cc1 ZINC000408955460 556899336 /nfs/dbraw/zinc/89/93/36/556899336.db2.gz XIEDBHVBUVLZCN-LDADJPATSA-N 0 0 432.929 5.038 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c1C ZINC000408959871 556899767 /nfs/dbraw/zinc/89/97/67/556899767.db2.gz HFZFRNLNNDIDQO-HMAPJEAMSA-N 0 0 433.552 5.996 40 30 IKEBRN CCc1cccc(C)c1-n1c(C)cc(/C=C2\SC(=Nc3ccc(C)cc3C)NC2=O)c1C ZINC000408960837 556899961 /nfs/dbraw/zinc/89/99/61/556899961.db2.gz OPEBZDLOUBELJS-IWIPYMOSSA-N 0 0 443.616 6.473 40 30 IKEBRN CC(C)(C)c1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(C(C)(C)C)c1O ZINC000408959955 556900027 /nfs/dbraw/zinc/90/00/27/556900027.db2.gz BBPAJMVZCWXJKP-CPNJWEJPSA-N 0 0 426.557 6.018 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3C#N)S2)cc1 ZINC000408966550 556900719 /nfs/dbraw/zinc/90/07/19/556900719.db2.gz PBWURYHTNDJUHD-OEAKJJBVSA-N 0 0 441.512 5.037 40 30 IKEBRN Cc1ccc(N=C2S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2C)cc1C ZINC000408961321 556900960 /nfs/dbraw/zinc/90/09/60/556900960.db2.gz RMRXURFOAKBZBL-ZYITZIQLSA-N 0 0 430.577 5.394 40 30 IKEBRN CN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)SC1=Nc1ccc(N2CCCCC2)cc1 ZINC000408961631 556901061 /nfs/dbraw/zinc/90/10/61/556901061.db2.gz UFQAKHQBMFWNSN-VDJURDQESA-N 0 0 446.620 5.511 40 30 IKEBRN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=Nc4ccc(F)cc4)NC3=O)o2)c1 ZINC000408961835 556901095 /nfs/dbraw/zinc/90/10/95/556901095.db2.gz OJTFDZYWYARPRC-UDWIEESQSA-N 0 0 436.464 5.072 40 30 IKEBRN Cc1ccc(N=C2NC(=O)C(=Cc3ccc(Sc4nc5cc(C)ccc5[nH]4)o3)S2)cc1 ZINC000408963292 556901741 /nfs/dbraw/zinc/90/17/41/556901741.db2.gz BIDPIOHJSOAQND-XDHOZWIPSA-N 0 0 446.557 5.816 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccccn1 ZINC000408963964 556902002 /nfs/dbraw/zinc/90/20/02/556902002.db2.gz DXLRITFLUJZPKO-GZTJUZNOSA-N 0 0 443.359 5.688 40 30 IKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3cccc(C(=O)OCC)c3)c2C)cc1 ZINC000408966074 556902829 /nfs/dbraw/zinc/90/28/29/556902829.db2.gz JTLSJAOEALKEFB-MTDXEUNCSA-N 0 0 446.547 5.978 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)S2)cc1 ZINC000408967273 556903151 /nfs/dbraw/zinc/90/31/51/556903151.db2.gz UFTISSHQTLPRRU-HYARGMPZSA-N 0 0 445.500 5.374 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N\c3ccccc3Br)c2C)c1 ZINC000408967157 556903202 /nfs/dbraw/zinc/90/32/02/556903202.db2.gz QDTIRBFJZQBILG-OYKKKHCWSA-N 0 0 425.326 5.784 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(F)cc3)N(C)C2=O)c1C ZINC000408968820 556903938 /nfs/dbraw/zinc/90/39/38/556903938.db2.gz ZPAZNHRDXFEIIA-YOIRLTMBSA-N 0 0 433.552 6.029 40 30 IKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(C)(C)C)cc3)c2C)cc1 ZINC000408968750 556903972 /nfs/dbraw/zinc/90/39/72/556903972.db2.gz YPYOZZDTXZLRDA-VUTHCHCSSA-N 0 0 430.592 7.099 40 30 IKEBRN Cc1ccc(-c2nc(N=NC(C)c3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)cc1C ZINC000408973521 556904951 /nfs/dbraw/zinc/90/49/51/556904951.db2.gz BHKKZVWXWRSEIK-OVVQPSECSA-N 0 0 442.544 6.838 40 30 IKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc([N+](=O)[O-])cc2)sc2c1CCCCCC2 ZINC000408974078 556904958 /nfs/dbraw/zinc/90/49/58/556904958.db2.gz WVJLPLALESJAJK-PCLIKHOPSA-N 0 0 433.533 6.318 40 30 IKEBRN CC(C)c1ccc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000408974855 556905384 /nfs/dbraw/zinc/90/53/84/556905384.db2.gz HPACWVYZGOLZSZ-MHZLTWQESA-N 0 0 440.543 7.181 40 30 IKEBRN CCCCCCCCNC(=O)c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 ZINC000408974632 556905431 /nfs/dbraw/zinc/90/54/31/556905431.db2.gz FTHYGVFDHPSNDX-UHFFFAOYSA-N 0 0 437.547 5.970 40 30 IKEBRN COc1ccc(CN=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1OC ZINC000408974607 556905456 /nfs/dbraw/zinc/90/54/56/556905456.db2.gz FLDPXMCUENOZCA-JVWAILMASA-N 0 0 443.572 6.557 40 30 IKEBRN CCOc1ccc(CN=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1 ZINC000408975084 556905472 /nfs/dbraw/zinc/90/54/72/556905472.db2.gz JVAWQXLZJVUZTL-WPWMEQJKSA-N 0 0 427.573 6.939 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc31)N[C@H]2c1ccc(-c2ccc(F)cc2)o1 ZINC000408975439 556905685 /nfs/dbraw/zinc/90/56/85/556905685.db2.gz KHUWEIPCCWEHJL-NDEPHWFRSA-N 0 0 437.514 7.548 40 30 IKEBRN Cc1cc(C)c(CN=Nc2nc(Nc3ccc(F)cc3)nc(N3CCCCC3)n2)cc1C ZINC000408975682 556906011 /nfs/dbraw/zinc/90/60/11/556906011.db2.gz LLUBHHSNDPMZJY-CVKSISIWSA-N 0 0 433.535 5.116 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl)c1ccccc1 ZINC000408976956 556906527 /nfs/dbraw/zinc/90/65/27/556906527.db2.gz UARHBPJXCBUYHM-FXZATJRASA-N 0 0 438.358 5.761 40 30 IKEBRN CCCCCCCCNC(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 ZINC000408981129 556907681 /nfs/dbraw/zinc/90/76/81/556907681.db2.gz ZVOSTOGPSHHWLY-UHFFFAOYSA-N 0 0 448.592 6.797 40 30 IKEBRN CCOc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OCC ZINC000408982752 556907951 /nfs/dbraw/zinc/90/79/51/556907951.db2.gz FDNFGQAFAZTRJH-OVVQPSECSA-N 0 0 443.572 6.721 40 30 IKEBRN CCOc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCc1c(C)cc(C)cc1C ZINC000408986226 556909233 /nfs/dbraw/zinc/90/92/33/556909233.db2.gz OVPJEDHOQWVSTH-YSMPRRRNSA-N 0 0 430.569 6.919 40 30 IKEBRN CCOc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)ccc1OCC(C)C ZINC000408986346 556909653 /nfs/dbraw/zinc/90/96/53/556909653.db2.gz BWORDAJRFZAIBJ-NDENLUEZSA-N 0 0 430.957 5.665 40 30 IKEBRN CCOc1ccc2nc(Sc3ccc(/C=C4\Sc5ccccc5C4=O)o3)sc2c1 ZINC000408987042 556909778 /nfs/dbraw/zinc/90/97/78/556909778.db2.gz AAEJDQSHZUNWSH-UNOMPAQXSA-N 0 0 437.567 6.769 40 30 IKEBRN Cc1cc(C)cc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c1 ZINC000408984463 556910752 /nfs/dbraw/zinc/91/07/52/556910752.db2.gz HLFJNWLWKZDFLY-STZFKDTASA-N 0 0 436.621 6.496 40 30 IKEBRN Cc1cc(C)c(COc2ccc(/C=C3\SC(=Nc4ccccc4)NC3=O)cc2)c(C)c1 ZINC000408989543 556910779 /nfs/dbraw/zinc/91/07/79/556910779.db2.gz LDKCSGUPTUIHMR-IWIPYMOSSA-N 0 0 428.557 6.082 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4ccccn4)o3)S2)cc1Cl ZINC000408990168 556911145 /nfs/dbraw/zinc/91/11/45/556911145.db2.gz JSDYTFGPOMAGBK-WJDWOHSUSA-N 0 0 427.938 5.679 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 ZINC000408992429 556911986 /nfs/dbraw/zinc/91/19/86/556911986.db2.gz RVUYWKRBWQMDGP-UHFFFAOYSA-N 0 0 434.454 5.411 40 30 IKEBRN C=CCOc1ccc(C=C2SC(Nc3ccccc3)=C(C(=O)OCC)C2=O)cc1Cl ZINC000408995944 556912196 /nfs/dbraw/zinc/91/21/96/556912196.db2.gz FWGNYHRZTPMPDZ-RGEXLXHISA-N 0 0 441.936 5.448 40 30 IKEBRN COc1cc(/C=C2/S/C(=N/c3ccccc3)N(C3CCCCC3)C2=O)cc(OC)c1O ZINC000408989311 556912279 /nfs/dbraw/zinc/91/22/79/556912279.db2.gz TXJJSRVPKORBIT-KWZOLKRCSA-N 0 0 438.549 5.346 40 30 IKEBRN Ic1ccc(COc2ccc(C=NNc3ccccc3)cc2)cc1 ZINC000408998432 556913540 /nfs/dbraw/zinc/91/35/40/556913540.db2.gz JDHGPMNINNYORF-HYARGMPZSA-N 0 0 428.273 5.316 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3C)NC2=O)c(C)n1-c1c(C)cccc1C ZINC000408999299 556913571 /nfs/dbraw/zinc/91/35/71/556913571.db2.gz UOPBXCUQBCRWRP-OEAKJJBVSA-N 0 0 429.589 6.219 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(-c3ccc(F)cc3)o2)C1=O ZINC000409005095 556915666 /nfs/dbraw/zinc/91/56/66/556915666.db2.gz ZCUCOQPWNBZHKT-ZHZULCJRSA-N 0 0 435.476 5.629 40 30 IKEBRN C=CCOc1c(Br)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OCC ZINC000409011755 556918398 /nfs/dbraw/zinc/91/83/98/556918398.db2.gz IJQYVEWUPPPKEW-PILJQMSFSA-N 0 0 440.359 5.247 40 30 IKEBRN Cc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(F)cc3)N(C)C2=O)cc1Cl ZINC000409017406 556919392 /nfs/dbraw/zinc/91/93/92/556919392.db2.gz ZHHAZEYGEVLBAE-MJBUPYINSA-N 0 0 425.916 5.812 40 30 IKEBRN C=CCc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1 ZINC000409008992 556919400 /nfs/dbraw/zinc/91/94/00/556919400.db2.gz QGHBINAUDQPYBG-XQNSMLJCSA-N 0 0 440.499 5.100 40 30 IKEBRN CC(C)(C)c1cc(/C=N\NS(=O)(=O)c2ccc3ccccc3c2)cc(C(C)(C)C)c1O ZINC000409013979 556920196 /nfs/dbraw/zinc/92/01/96/556920196.db2.gz OGXNKEMGBYQZBJ-QQXSKIMKSA-N 0 0 438.593 5.453 40 30 IKEBRN Cc1ccccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S1 ZINC000409016135 556921223 /nfs/dbraw/zinc/92/12/23/556921223.db2.gz COGMKARIARJIPJ-PDGQHHTCSA-N 0 0 443.018 6.753 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccc(Cl)cc1 ZINC000409015801 556921228 /nfs/dbraw/zinc/92/12/28/556921228.db2.gz BLCMYJAKWFTZKD-MJBUPYINSA-N 0 0 426.900 6.363 40 30 IKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)C(C)=C2C(=O)OC)cc1 ZINC000409022396 556922819 /nfs/dbraw/zinc/92/28/19/556922819.db2.gz MZQCLYUKCQGGKV-JMIUGGIZSA-N 0 0 444.314 5.435 40 30 IKEBRN CN1C(=O)/C(=C/c2ccc(-c3ccc(C#N)cc3)o2)SC1=Nc1ccc2ccccc2c1 ZINC000409019486 556924057 /nfs/dbraw/zinc/92/40/57/556924057.db2.gz STNFPZCSGRHZJF-HOOGSHDOSA-N 0 0 435.508 6.205 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)S2)cc1 ZINC000409019410 556924064 /nfs/dbraw/zinc/92/40/64/556924064.db2.gz IYIKOIILUFQUFF-STZFKDTASA-N 0 0 437.952 5.729 40 30 IKEBRN COc1cccc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c1OC(C)C ZINC000409020375 556924303 /nfs/dbraw/zinc/92/43/03/556924303.db2.gz OSBUZNKBFBSXCC-BOPFTXTBSA-N 0 0 447.354 5.137 40 30 IKEBRN Cc1ccc(-c2csc(N=NCc3ccc(OC(=O)c4c(F)cccc4F)cc3)n2)cc1 ZINC000409020324 556924313 /nfs/dbraw/zinc/92/43/13/556924313.db2.gz NXWUOSGGFZYGCG-UVHMKAGCSA-N 0 0 449.482 6.062 40 30 IKEBRN C#CCn1c(C)c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cc(C)ccc21 ZINC000409030748 556926969 /nfs/dbraw/zinc/92/69/69/556926969.db2.gz HQEJKBWPRINBLC-JNNAGZRYSA-N 0 0 441.350 5.913 40 30 IKEBRN CC(C)COc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl ZINC000409031315 556927197 /nfs/dbraw/zinc/92/71/97/556927197.db2.gz AOKNMEZMORTGGW-ZRJGMHBZSA-N 0 0 429.163 5.742 40 30 IKEBRN Cc1c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cccc(C)c2n1C(C)C ZINC000409034033 556927550 /nfs/dbraw/zinc/92/75/50/556927550.db2.gz GWGUOZLYOTYEBN-HYYKAVFWSA-N 0 0 445.382 6.860 40 30 IKEBRN C=CCn1c(C)c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cc(C)ccc21 ZINC000409029765 556927701 /nfs/dbraw/zinc/92/77/01/556927701.db2.gz BEUBCPGOKLPKJM-JNNAGZRYSA-N 0 0 443.366 6.465 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(OCc2cccc3ccccc32)c1 ZINC000409039248 556927995 /nfs/dbraw/zinc/92/79/95/556927995.db2.gz WSKDSYAGDRHVHO-XKJRVUDJSA-N 0 0 444.350 6.133 40 30 IKEBRN O=[N+]([O-])c1cc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)ccc1Cl ZINC000409036260 556928535 /nfs/dbraw/zinc/92/85/35/556928535.db2.gz VESQSCRFFUWBQU-TXNBCWFRSA-N 0 0 433.667 5.222 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1ccccc1OCc1ccccc1Cl ZINC000409035863 556928573 /nfs/dbraw/zinc/92/85/73/556928573.db2.gz KNEIZFWJFMSTBA-JQAMDZJQSA-N 0 0 428.735 5.633 40 30 IKEBRN C#CCOc1c(Cl)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1Cl ZINC000409040003 556928730 /nfs/dbraw/zinc/92/87/30/556928730.db2.gz FAZWTZVDPOXSSG-UHFFFAOYSA-N 0 0 430.331 5.049 40 30 IKEBRN CCCCOc1c(Cl)cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)cc1Cl ZINC000409036674 556928738 /nfs/dbraw/zinc/92/87/38/556928738.db2.gz SCQMBLRVVVYTDQ-VAPIAZESSA-N 0 0 429.163 5.886 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cc(Cl)ccc1OCc1ccccc1 ZINC000409037020 556928750 /nfs/dbraw/zinc/92/87/50/556928750.db2.gz WYJSIUHRPCEOOQ-JQAMDZJQSA-N 0 0 428.735 5.633 40 30 IKEBRN CC[C@H](C)Sc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409037223 556929022 /nfs/dbraw/zinc/92/90/22/556929022.db2.gz MEQODCIMWASLBW-WQBBPGTOSA-N 0 0 426.401 6.444 40 30 IKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc1Br ZINC000409042577 556929475 /nfs/dbraw/zinc/92/94/75/556929475.db2.gz NMOFRHKZZIYNFI-VXLYETTFSA-N 0 0 440.091 5.435 40 30 IKEBRN C=CCOc1ccc(Cl)cc1/C=C1\C(=O)N(c2c(F)c(F)c(F)c(F)c2F)N=C1C ZINC000409043578 556929740 /nfs/dbraw/zinc/92/97/40/556929740.db2.gz NCTPQYAUVYXVOY-WQLSENKSSA-N 0 0 442.771 5.406 40 30 IKEBRN CC(C)COc1c(Cl)cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc1Cl ZINC000409043651 556929751 /nfs/dbraw/zinc/92/97/51/556929751.db2.gz SQEKMHOYZXONHK-UHFFFAOYSA-N 0 0 435.347 6.156 40 30 IKEBRN Fc1ccc(Br)cc1C=NN1C(=S)N=NC1c1ccc(Cl)cc1Cl ZINC000019850077 556930641 /nfs/dbraw/zinc/93/06/41/556930641.db2.gz JSDFGTCPPGRDHW-SCDVKCJHSA-N 0 0 446.132 5.324 40 30 IKEBRN CC(C)COc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)N(C)C2=C1C(=O)CCC2 ZINC000409047380 556931596 /nfs/dbraw/zinc/93/15/96/556931596.db2.gz OMDMOFJEPJQECQ-UHFFFAOYSA-N 0 0 448.390 6.071 40 30 IKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(Cl)c(Cl)c1 ZINC000409051458 556933181 /nfs/dbraw/zinc/93/31/81/556933181.db2.gz DDJVWTDTDIYTCA-NUGSKGIGSA-N 0 0 431.175 7.260 40 30 IKEBRN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=Cc1ccc(Br)s1 ZINC000019861014 556933437 /nfs/dbraw/zinc/93/34/37/556933437.db2.gz MPJRONGLSGYPDW-FMQZQXMHSA-N 0 0 434.171 5.247 40 30 IKEBRN C=CCOc1ccc(C(C)N=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000409052261 556933698 /nfs/dbraw/zinc/93/36/98/556933698.db2.gz GXWFECKJWAOBOG-OEAKJJBVSA-N 0 0 428.355 5.974 40 30 IKEBRN CC(C)COc1c(Cl)cc(Cl)cc1C1C2=C(CCCC2=O)NC2=C1C(=O)CCC2 ZINC000409058672 556935616 /nfs/dbraw/zinc/93/56/16/556935616.db2.gz SMHWMIBQIHEBHU-UHFFFAOYSA-N 0 0 434.363 5.729 40 30 IKEBRN CCOC(=O)c1c(/N=C\c2cc(C)n(-c3cccc(Cl)c3)c2C)sc2c1CCCC2 ZINC000409063174 556940355 /nfs/dbraw/zinc/94/03/55/556940355.db2.gz IAXIDGNJSLTLNL-WGARJPEWSA-N 0 0 440.996 6.615 40 30 IKEBRN Cc1cc(/C=N\n2cnc3sc4c(c3c2=O)CCCC4)c(C)n1-c1cccc(Cl)c1 ZINC000409063482 556940568 /nfs/dbraw/zinc/94/05/68/556940568.db2.gz LQGCLODNMHQCQH-ZRGSRPPYSA-N 0 0 436.968 5.280 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N\c3sc4c(c3C#N)CCCC4)cc2)c1 ZINC000409063491 556940574 /nfs/dbraw/zinc/94/05/74/556940574.db2.gz LTOWRTOIYMLVPI-DICXZTSXSA-N 0 0 429.545 5.575 40 30 IKEBRN CC(C)(C)[C@H]1C[C@@H](C(C)(C)C)C2=C1OC(=O)[C@]1(C(=O)[C@H](C(C)(C)C)C[C@H]1C(C)(C)C)C2=O ZINC000409066028 556941570 /nfs/dbraw/zinc/94/15/70/556941570.db2.gz VMDSRARXVSWQPD-BMUNIIBWSA-N 0 0 444.656 6.379 40 30 IKEBRN C=CCc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(OC)c1OCC ZINC000409074940 556943536 /nfs/dbraw/zinc/94/35/36/556943536.db2.gz ORBPDOLOCJIAQE-UHFFFAOYSA-N 0 0 435.564 5.256 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1cccc(C(F)(F)F)c1 ZINC000409075709 556943796 /nfs/dbraw/zinc/94/37/96/556943796.db2.gz ZGQMFLJTHVALOL-XODNFHPESA-N 0 0 427.495 6.676 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409075679 556943864 /nfs/dbraw/zinc/94/38/64/556943864.db2.gz ZVBGKNSPFFJDFT-KGENOOAVSA-N 0 0 441.524 5.588 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409077811 556943868 /nfs/dbraw/zinc/94/38/68/556943868.db2.gz FYQNMKPNULXOOR-REHDBGDWSA-N 0 0 425.985 5.954 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3cccc(O)c3)c2C(=O)NCc2ccco2)C1 ZINC000409076895 556944064 /nfs/dbraw/zinc/94/40/64/556944064.db2.gz COBHTZGLJKQMOC-MWQSPYHUSA-N 0 0 436.577 5.878 40 30 IKEBRN Cc1ccc(COc2c(Cl)cc(Cl)cc2/C=C2\C(=O)ON=C2c2ccccc2)cc1 ZINC000409077303 556944204 /nfs/dbraw/zinc/94/42/04/556944204.db2.gz DTQVPVPEKGRHON-NDENLUEZSA-N 0 0 438.310 6.225 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(Sc3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 ZINC000409072405 556946031 /nfs/dbraw/zinc/94/60/31/556946031.db2.gz RUTGHWUNHPEFPQ-CIAFOILYSA-N 0 0 428.857 5.754 40 30 IKEBRN O=[N+]([O-])c1ccc(Cn2cc(CN=Nc3ccc(C(F)(F)F)cn3)c3ccccc32)cc1 ZINC000409072498 556946071 /nfs/dbraw/zinc/94/60/71/556946071.db2.gz VRFNIIPIMVPSDJ-LUOAPIJWSA-N 0 0 439.397 5.458 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000409073326 556946498 /nfs/dbraw/zinc/94/64/98/556946498.db2.gz MIUQIOQZDDTUKE-RPPGKUMJSA-N 0 0 449.816 6.292 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(OCc4ccccc4)cc3)c2C)C1=O ZINC000409072970 556946510 /nfs/dbraw/zinc/94/65/10/556946510.db2.gz FOXIKSIKSYDGBU-LFVJCYFKSA-N 0 0 444.556 5.895 40 30 IKEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc2ccccc2c1 ZINC000409074102 556947007 /nfs/dbraw/zinc/94/70/07/556947007.db2.gz XXJJRWDQBLFHGO-CVKSISIWSA-N 0 0 428.448 5.177 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)n1-c1ccc(C)cc1 ZINC000409080289 556947145 /nfs/dbraw/zinc/94/71/45/556947145.db2.gz MTUUQDIAZKSJOE-BLLKKSLCSA-N 0 0 429.633 7.237 40 30 IKEBRN Cc1c(C)c(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)ccc1Br ZINC000409080312 556947207 /nfs/dbraw/zinc/94/72/07/556947207.db2.gz MWNFYKGSOOIPOZ-MZJWZYIUSA-N 0 0 438.409 6.990 40 30 IKEBRN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)o1 ZINC000409081915 556947655 /nfs/dbraw/zinc/94/76/55/556947655.db2.gz OTCSDPRZDUZBGG-JZNDDVEWSA-N 0 0 447.560 6.998 40 30 IKEBRN COc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Br ZINC000409081634 556947660 /nfs/dbraw/zinc/94/76/60/556947660.db2.gz HHGZFWRGSAMODD-REMUQMNCSA-N 0 0 431.399 6.292 40 30 IKEBRN C#CCOc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CCC)C2=O)cc1Cl ZINC000409083586 556948067 /nfs/dbraw/zinc/94/80/67/556948067.db2.gz SYUJCDLZTSNTSC-SOMGSRHFSA-N 0 0 445.371 6.019 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)sc2C1 ZINC000409083530 556948143 /nfs/dbraw/zinc/94/81/43/556948143.db2.gz VFMJPPIUKBXISY-HEOQCTJZSA-N 0 0 433.533 6.690 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(sc(/N=C\c3ccc(F)cc3)c2C(=O)NCc2ccco2)C1 ZINC000409083200 556948153 /nfs/dbraw/zinc/94/81/53/556948153.db2.gz UWNPKBZGDWRLPN-RYPKJOHWSA-N 0 0 438.568 6.312 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409083343 556948173 /nfs/dbraw/zinc/94/81/73/556948173.db2.gz AEUSCWQLLSEXAG-MYKKPKGFSA-N 0 0 447.373 5.375 40 30 IKEBRN CN(C)c1oc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc1Br ZINC000409084896 556948467 /nfs/dbraw/zinc/94/84/67/556948467.db2.gz NHRJVGDMMPPTBB-LITAXMHPSA-N 0 0 434.403 5.943 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc1OCC ZINC000409085409 556948518 /nfs/dbraw/zinc/94/85/18/556948518.db2.gz ZGYMDQOSPMWEHR-AQTBWJFISA-N 0 0 434.989 5.036 40 30 IKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2O)cc1 ZINC000409085559 556948599 /nfs/dbraw/zinc/94/85/99/556948599.db2.gz ZXJYKXYVKGUXSV-RDRPBHBLSA-N 0 0 431.576 6.568 40 30 IKEBRN CCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)S/C1=N/c1ccc(Cl)cc1 ZINC000409093227 556949542 /nfs/dbraw/zinc/94/95/42/556949542.db2.gz ZKKWLDLZCRPLDI-REHDBGDWSA-N 0 0 428.001 6.200 40 30 IKEBRN COc1cc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc(OC)c1O ZINC000409087953 556950898 /nfs/dbraw/zinc/95/08/98/556950898.db2.gz VEYKGFADGOYCPG-YVQDBNNVSA-N 0 0 446.956 5.323 40 30 IKEBRN CCN(CC)c1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1 ZINC000409090194 556951630 /nfs/dbraw/zinc/95/16/30/556951630.db2.gz LBVNBZFEYPXMKZ-MKIITAJQSA-N 0 0 442.028 6.446 40 30 IKEBRN COc1cccc(Oc2ccc(NC=CC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)c1 ZINC000409103419 556952178 /nfs/dbraw/zinc/95/21/78/556952178.db2.gz GVYGVQAEZOHUTN-OUKQBFOZSA-N 0 0 435.476 5.322 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C1=O ZINC000409103796 556952539 /nfs/dbraw/zinc/95/25/39/556952539.db2.gz YZZMXVOYWUVPAY-XDHOZWIPSA-N 0 0 447.915 5.679 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O ZINC000409104364 556952962 /nfs/dbraw/zinc/95/29/62/556952962.db2.gz YHPNXSBQMSQUNV-WOJGMQOQSA-N 0 0 434.344 6.103 40 30 IKEBRN CCOc1cc(C=NNc2ccc(C(F)(F)F)cn2)cc(Br)c1OC(C)C ZINC000409096851 556953225 /nfs/dbraw/zinc/95/32/25/556953225.db2.gz KVBWXUMFRNAENU-PGGKNCGUSA-N 0 0 446.267 5.495 40 30 IKEBRN N#Cc1c2c(sc1/N=C/c1cc(Br)c(Sc3ncccn3)o1)CCCC2 ZINC000409099017 556954382 /nfs/dbraw/zinc/95/43/82/556954382.db2.gz PLPXLNVEXLFPSL-AUEPDCJTSA-N 0 0 445.367 5.546 40 30 IKEBRN FC(F)(F)c1ccc(N=NCc2cn(Cc3ccc(Cl)cc3)c3ccccc23)nc1 ZINC000409101433 556955787 /nfs/dbraw/zinc/95/57/87/556955787.db2.gz XSAWRLZVHOKLLU-IPBVOBEMSA-N 0 0 428.845 6.203 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(Sc2nc3ccccc3[nH]2)o1 ZINC000409101738 556956064 /nfs/dbraw/zinc/95/60/64/556956064.db2.gz QXPTYLJKFWISGL-AUEPDCJTSA-N 0 0 447.398 5.680 40 30 IKEBRN C=CCOc1c(I)cc(CNc2ccc(C)c(C)c2)cc1OCC ZINC000409112415 556958130 /nfs/dbraw/zinc/95/81/30/556958130.db2.gz GIJDMTPICMITEH-UHFFFAOYSA-N 0 0 437.321 5.484 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000409105025 556958371 /nfs/dbraw/zinc/95/83/71/556958371.db2.gz HTJQJEOYAMOUHN-MNDYBZJGSA-N 0 0 434.465 6.621 40 30 IKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409119694 556961046 /nfs/dbraw/zinc/96/10/46/556961046.db2.gz SQVVXVQMHYUIKW-UHFFFAOYSA-N 0 0 432.520 6.222 40 30 IKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1ccccc1F ZINC000409122435 556961770 /nfs/dbraw/zinc/96/17/70/556961770.db2.gz YNOVUMLMSBTZHN-UHFFFAOYSA-N 0 0 425.931 6.716 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)cc2)cc(OCC)c1OS(=O)(=O)c1ccccc1 ZINC000409121809 556961845 /nfs/dbraw/zinc/96/18/45/556961845.db2.gz YBCOBOMAHLAVJK-UHFFFAOYSA-N 0 0 437.561 5.502 40 30 IKEBRN C#CCOc1c(Br)cc(/C=C2/c3ccccc3N(CC(C)C)C2=O)cc1OC ZINC000409121763 556961849 /nfs/dbraw/zinc/96/18/49/556961849.db2.gz ZXYGXMOKAONYGI-WQRHYEAKSA-N 0 0 440.337 5.013 40 30 IKEBRN COC(=O)c1ccc(/N=C\c2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000409116323 556963198 /nfs/dbraw/zinc/96/31/98/556963198.db2.gz JYZXBFRYNJMHMZ-QRVIBDJDSA-N 0 0 426.881 5.937 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cn(CC(C)C)c3ccccc23)C1=O ZINC000409127413 556965799 /nfs/dbraw/zinc/96/57/99/556965799.db2.gz HJGCCBJVECLKEX-HMAPJEAMSA-N 0 0 446.572 5.841 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccc(C)cc2)SC(=Cc2c[nH]c3c2cccc3CC)C1=O ZINC000409133227 556968155 /nfs/dbraw/zinc/96/81/55/556968155.db2.gz NBNWFYNCABFXBX-MOSHPQCFSA-N 0 0 432.545 5.582 40 30 IKEBRN C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(OC)c2)C1=O ZINC000409136612 556969696 /nfs/dbraw/zinc/96/96/96/556969696.db2.gz RZTDSHOJGLANSJ-FYJGNVAPSA-N 0 0 448.906 5.160 40 30 IKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OCC)c1OCc1ccc(F)cc1 ZINC000409137961 556970439 /nfs/dbraw/zinc/97/04/39/556970439.db2.gz ZYZKGFROUYNVCR-UHFFFAOYSA-N 0 0 439.958 7.106 40 30 IKEBRN C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000409139459 556971422 /nfs/dbraw/zinc/97/14/22/556971422.db2.gz NTFWAPVBNKIWGZ-FYJGNVAPSA-N 0 0 448.906 5.160 40 30 IKEBRN C#CCOc1c(Cl)cc(C[C@@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409142173 556972841 /nfs/dbraw/zinc/97/28/41/556972841.db2.gz RRRVILOWDZYCKO-INIZCTEOSA-N 0 0 440.735 5.470 40 30 IKEBRN O=C(Nc1ccccc1)c1c(/N=C/c2ccc(OC(F)F)cc2)sc2c1CCCC2 ZINC000409160136 556974760 /nfs/dbraw/zinc/97/47/60/556974760.db2.gz SRYMVMMZJOQPLH-VULFUBBASA-N 0 0 426.488 6.231 40 30 IKEBRN COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccc(-c3ccccc3)cc1)CC2 ZINC000409150044 556974853 /nfs/dbraw/zinc/97/48/53/556974853.db2.gz YWMMHIVEXOZERJ-LKUDQCMESA-N 0 0 436.305 5.632 40 30 IKEBRN N#Cc1ccccc1COc1ccccc1C[C@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409160270 556975030 /nfs/dbraw/zinc/97/50/30/556975030.db2.gz FNDQTIGHHOSKRC-JOCHJYFZSA-N 0 0 448.931 5.602 40 30 IKEBRN CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)ccc1O[C@@H](C)CC ZINC000409161370 556976686 /nfs/dbraw/zinc/97/66/86/556976686.db2.gz UEJOUJBTULDAMI-QPNANDPSSA-N 0 0 436.533 5.371 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(OCC(=O)N4CCCC4)cc3)sc2C1 ZINC000409162136 556977446 /nfs/dbraw/zinc/97/74/46/556977446.db2.gz CWGANACQJVUWGK-DVQSINOTSA-N 0 0 449.620 5.523 40 30 IKEBRN O=C(NC1CCCCC1)c1c(/N=C/c2ccc(OC(F)F)cc2)sc2c1CCCC2 ZINC000409162961 556977658 /nfs/dbraw/zinc/97/76/58/556977658.db2.gz KAXJABRRZIDUSZ-VULFUBBASA-N 0 0 432.536 6.041 40 30 IKEBRN CCOC(=O)c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccc(C)cc4)N(C)C3=O)o2)c1 ZINC000409152774 556978566 /nfs/dbraw/zinc/97/85/66/556978566.db2.gz LFKUTDZZRBAAAM-ZBNITPKASA-N 0 0 446.528 5.666 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(OCC)c1OCC ZINC000409169807 556980417 /nfs/dbraw/zinc/98/04/17/556980417.db2.gz RPSKPNZGGAANJP-HYARGMPZSA-N 0 0 448.544 5.321 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O ZINC000409170088 556982327 /nfs/dbraw/zinc/98/23/27/556982327.db2.gz SVBNVZQSDTUYEV-OEAKJJBVSA-N 0 0 426.497 5.374 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C1=O ZINC000409169731 556982697 /nfs/dbraw/zinc/98/26/97/556982697.db2.gz YXWJTEGJLOFXEV-YDZHTSKRSA-N 0 0 444.487 5.513 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccc(N3CCCC3)c3ccccc23)C1=O ZINC000409171417 556984160 /nfs/dbraw/zinc/98/41/60/556984160.db2.gz AXQPXHWHDZUPBG-BUVRLJJBSA-N 0 0 439.540 5.548 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccccc2OCc2cccc(F)c2)C1=O ZINC000409172085 556985642 /nfs/dbraw/zinc/98/56/42/556985642.db2.gz HAYSAFDCAHVPSO-YDZHTSKRSA-N 0 0 444.487 5.513 40 30 IKEBRN Cc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OC(F)F)cc2)CCCC3)cc1 ZINC000409175848 556985673 /nfs/dbraw/zinc/98/56/73/556985673.db2.gz VSQGLNLGTOTNOO-MZJWZYIUSA-N 0 0 440.515 6.540 40 30 IKEBRN Cc1ccc(-c2csc(N=NCc3cccc(OCc4cccc5ccccc54)c3)n2)cc1 ZINC000409178058 556986922 /nfs/dbraw/zinc/98/69/22/556986922.db2.gz KIGCQDQMTCKUHS-STBIYBPSSA-N 0 0 449.579 7.297 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccc(C)cc1C ZINC000409172729 556987094 /nfs/dbraw/zinc/98/70/94/556987094.db2.gz HJMNQMZSIPRAFR-ZMOGYAJESA-N 0 0 441.556 5.819 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1Cl ZINC000409172984 556987651 /nfs/dbraw/zinc/98/76/51/556987651.db2.gz NHDZCFVJHPUVOS-HXJASHHUSA-N 0 0 426.925 5.625 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1cc(C)cc(C)c1 ZINC000409173133 556988168 /nfs/dbraw/zinc/98/81/68/556988168.db2.gz KPAGNRRDULCRQK-ZMOGYAJESA-N 0 0 441.556 5.819 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(C)cc4C)NC3=O)c2C)cc1 ZINC000409183444 556990380 /nfs/dbraw/zinc/99/03/80/556990380.db2.gz CRLODHBZVXRHLA-IWIPYMOSSA-N 0 0 445.588 6.001 40 30 IKEBRN COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)c2C)cc1 ZINC000409175510 556992168 /nfs/dbraw/zinc/99/21/68/556992168.db2.gz ZQVMWOGLIYGPHK-YDZHTSKRSA-N 0 0 443.528 5.211 40 30 IKEBRN CCOc1ccc(/N=C\c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)cc1 ZINC000409198923 556993128 /nfs/dbraw/zinc/99/31/28/556993128.db2.gz AGZUNYOPSPQEIB-WGARJPEWSA-N 0 0 430.382 6.555 40 30 IKEBRN Cc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccccc2OC(F)F)CCCC3)cc1 ZINC000409176242 556993567 /nfs/dbraw/zinc/99/35/67/556993567.db2.gz ZDUGVHCNLFRLTK-MZJWZYIUSA-N 0 0 440.515 6.540 40 30 IKEBRN O=[N+]([O-])c1cc(C=Nc2ccc(Cl)cc2)ccc1Sc1n[nH]c(-c2ccccc2)n1 ZINC000409194987 556993622 /nfs/dbraw/zinc/99/36/22/556993622.db2.gz RUJILCFIKDYCRT-YDZHTSKRSA-N 0 0 435.896 5.935 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 ZINC000409199103 556994129 /nfs/dbraw/zinc/99/41/29/556994129.db2.gz BKYCMDNVDWCTMR-BUVRLJJBSA-N 0 0 429.925 5.565 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccc(F)cc1 ZINC000409199031 556995794 /nfs/dbraw/zinc/99/57/94/556995794.db2.gz BAFXLGLAQSVBEN-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN C#CCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OCC ZINC000409206989 556996402 /nfs/dbraw/zinc/99/64/02/556996402.db2.gz OCVWEWCPPFQDAQ-UHFFFAOYSA-N 0 0 429.141 5.779 40 30 IKEBRN COc1ccc(CN/N=C/c2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC ZINC000020195677 556996802 /nfs/dbraw/zinc/99/68/02/556996802.db2.gz LFMAJEGZRJLMIU-MZJWZYIUSA-N 0 0 445.346 5.713 40 30 IKEBRN COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)cc1OC ZINC000020195686 556996886 /nfs/dbraw/zinc/99/68/86/556996886.db2.gz KSEXKXQIAAQGSS-MZJWZYIUSA-N 0 0 445.346 5.713 40 30 IKEBRN COc1ccc(CN/N=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC ZINC000020195776 556996902 /nfs/dbraw/zinc/99/69/02/556996902.db2.gz RSCDVXWKWYXYAL-JFLMPSFJSA-N 0 0 440.927 5.069 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Br)c1OCc1ccccc1 ZINC000409207865 556996959 /nfs/dbraw/zinc/99/69/59/556996959.db2.gz BQUWMIWACLWYDT-CVKSISIWSA-N 0 0 438.365 6.794 40 30 IKEBRN COc1ccc(CN/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OC ZINC000020196321 556997119 /nfs/dbraw/zinc/99/71/19/556997119.db2.gz BDLIJEWABRRXKV-MZJWZYIUSA-N 0 0 445.346 5.713 40 30 IKEBRN COc1ccc(CN/N=C/c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)cc1OC ZINC000020196249 556997147 /nfs/dbraw/zinc/99/71/47/556997147.db2.gz QSPJIZJZOZBLHE-MUFRIFMGSA-N 0 0 431.511 5.278 40 30 IKEBRN COc1ccc(CN/N=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)cc1OC ZINC000020196619 556997357 /nfs/dbraw/zinc/99/73/57/556997357.db2.gz VZVLZVLFWCPQGU-RWPZCVJISA-N 0 0 433.939 5.484 40 30 IKEBRN COc1ccc(CN/N=C/c2c(C)n(Cc3ccccc3C#N)c3ccccc23)cc1OC ZINC000020196646 556997393 /nfs/dbraw/zinc/99/73/93/556997393.db2.gz RNJKYTNDSIPZBH-OCSSWDANSA-N 0 0 438.531 5.011 40 30 IKEBRN COc1ccc(CN/N=C/c2c(C)n(Cc3ccccc3C)c3ccccc23)cc1OC ZINC000020196651 556997406 /nfs/dbraw/zinc/99/74/06/556997406.db2.gz AHPFRUBEWQBNMH-STBIYBPSSA-N 0 0 427.548 5.447 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409208396 556997438 /nfs/dbraw/zinc/99/74/38/556997438.db2.gz BJFINTQBZIBTEC-WSDLNYQXSA-N 0 0 427.800 5.708 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 ZINC000409208438 556997447 /nfs/dbraw/zinc/99/74/47/556997447.db2.gz BSEWCAWPMNBKPI-CVKSISIWSA-N 0 0 438.911 5.515 40 30 IKEBRN Cc1ccc(Cn2cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c3ccccc32)cc1 ZINC000409208756 556997751 /nfs/dbraw/zinc/99/77/51/556997751.db2.gz BXWCXDLTCYQVNV-JAYUVETPSA-N 0 0 431.605 6.087 40 30 IKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409208651 556997768 /nfs/dbraw/zinc/99/77/68/556997768.db2.gz DKZUQMKSNVXGJK-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN CCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1Br ZINC000409209108 556998243 /nfs/dbraw/zinc/99/82/43/556998243.db2.gz FVOAADAFZUASKL-AWQFTUOYSA-N 0 0 431.555 6.323 40 30 IKEBRN C=CCOc1c(I)cc(CNc2ccc(Cl)cc2)cc1OC ZINC000409180311 556998978 /nfs/dbraw/zinc/99/89/78/556998978.db2.gz QRMCTRUPKTWDLP-UHFFFAOYSA-N 0 0 429.685 5.130 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000409199873 556998962 /nfs/dbraw/zinc/99/89/62/556998962.db2.gz FLLWTQHQHDHNIQ-LGJNPRDNSA-N 0 0 434.750 7.375 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 ZINC000409199840 556999037 /nfs/dbraw/zinc/99/90/37/556999037.db2.gz FCQRBYABUDGBCI-AFUMVMLFSA-N 0 0 428.757 6.995 40 30 IKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409199987 556999156 /nfs/dbraw/zinc/99/91/56/556999156.db2.gz GHRRSUPEDLBJIE-FSJBWODESA-N 0 0 441.827 6.016 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409200129 556999487 /nfs/dbraw/zinc/99/94/87/556999487.db2.gz GVMGOEKQBQCTPK-RPPGKUMJSA-N 0 0 434.801 7.118 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 ZINC000409200267 556999505 /nfs/dbraw/zinc/99/95/05/556999505.db2.gz HJYMBSJRILFIOX-AFUMVMLFSA-N 0 0 444.756 6.831 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409200339 556999536 /nfs/dbraw/zinc/99/95/36/556999536.db2.gz HVXPSPHMFBMWLK-AFUMVMLFSA-N 0 0 443.952 5.792 40 30 IKEBRN C#CCOc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1 ZINC000409181127 557000532 /nfs/dbraw/zinc/00/05/32/557000532.db2.gz XCZCVTSTZYHMFU-UHFFFAOYSA-N 0 0 429.539 5.489 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000409201549 557000592 /nfs/dbraw/zinc/00/05/92/557000592.db2.gz MIJVLNHYIYWOJJ-ZVHZXABRSA-N 0 0 435.436 6.061 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OC)cc1 ZINC000409202025 557001202 /nfs/dbraw/zinc/00/12/02/557001202.db2.gz NRHLRLCHAISHKT-RGVLZGJSSA-N 0 0 425.120 5.536 40 30 IKEBRN CCOc1ccc(/N=C/c2c(OS(=O)(=O)c3ccccc3)ccc3ccccc32)cc1 ZINC000409202604 557001674 /nfs/dbraw/zinc/00/16/74/557001674.db2.gz SAFRLUQAGPLVJB-NLRVBDNBSA-N 0 0 431.513 5.757 40 30 IKEBRN COc1cc(/C=N/c2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409202558 557001687 /nfs/dbraw/zinc/00/16/87/557001687.db2.gz RMMKWOHPOFAFKF-MZJWZYIUSA-N 0 0 436.939 6.042 40 30 IKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1F ZINC000409202838 557001882 /nfs/dbraw/zinc/00/18/82/557001882.db2.gz TUTHAZVBXRNDCM-RDRPBHBLSA-N 0 0 427.475 6.956 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409203485 557002408 /nfs/dbraw/zinc/00/24/08/557002408.db2.gz WOCYEOWESGEMIS-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN C#CCOc1c(Br)cc(CNc2ccccc2Cl)cc1Br ZINC000409182425 557002701 /nfs/dbraw/zinc/00/27/01/557002701.db2.gz MAXSNXATADGXMT-UHFFFAOYSA-N 0 0 429.539 5.489 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000409183330 557003989 /nfs/dbraw/zinc/00/39/89/557003989.db2.gz BHUINOIVNXVXGS-OTZYPNAKSA-N 0 0 448.910 5.015 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccccc2)cc1Cl ZINC000409209758 557004162 /nfs/dbraw/zinc/00/41/62/557004162.db2.gz HVOBKLSLVFFHTO-LQKURTRISA-N 0 0 428.919 6.570 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409210186 557004620 /nfs/dbraw/zinc/00/46/20/557004620.db2.gz FJVJHJIWVKGTPU-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409210017 557004623 /nfs/dbraw/zinc/00/46/23/557004623.db2.gz JDZQWTKYCCXPOV-KKMKTNMSSA-N 0 0 448.777 7.602 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1c(OCC(=O)Nc2ccccc2)ccc2ccccc21 ZINC000409210499 557004663 /nfs/dbraw/zinc/00/46/63/557004663.db2.gz KWXGXVKGFFPBCU-LQKURTRISA-N 0 0 428.919 6.570 40 30 IKEBRN CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409183840 557004685 /nfs/dbraw/zinc/00/46/85/557004685.db2.gz VLNKAXPFRWKJMB-KKMKTNMSSA-N 0 0 443.330 6.803 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000409210407 557004857 /nfs/dbraw/zinc/00/48/57/557004857.db2.gz JOTHCWICBGSFEU-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409210829 557005326 /nfs/dbraw/zinc/00/53/26/557005326.db2.gz GWPJLSGIXKIJBB-JFLMPSFJSA-N 0 0 436.939 6.124 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(C)cc2C)cc1Br ZINC000409210909 557005369 /nfs/dbraw/zinc/00/53/69/557005369.db2.gz LOYBUFTYSGUUHE-SRZZPIQSSA-N 0 0 425.164 6.368 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409210889 557005431 /nfs/dbraw/zinc/00/54/31/557005431.db2.gz HJXVMZFLROOTMG-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN Cc1ccc(/N=C/c2ccccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1Cl ZINC000409210932 557005614 /nfs/dbraw/zinc/00/56/14/557005614.db2.gz HOKMVUKIHYDRRO-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409211074 557005647 /nfs/dbraw/zinc/00/56/47/557005647.db2.gz MLCKFQTWGCGBBG-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409211461 557006151 /nfs/dbraw/zinc/00/61/51/557006151.db2.gz NSRONVIKLDBNFG-JFLMPSFJSA-N 0 0 436.939 6.124 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 ZINC000409211579 557006167 /nfs/dbraw/zinc/00/61/67/557006167.db2.gz OLKJHBDZAOXWSO-UVHMKAGCSA-N 0 0 432.322 7.169 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccccc3)c(Br)c2)cc1 ZINC000409211556 557006186 /nfs/dbraw/zinc/00/61/86/557006186.db2.gz NYOLWBDKFFZKKF-HZHRSRAPSA-N 0 0 444.350 5.530 40 30 IKEBRN Cc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1C ZINC000409212369 557006857 /nfs/dbraw/zinc/00/68/57/557006857.db2.gz QNQKFKULKDHOMT-WKULSOCRSA-N 0 0 434.366 8.093 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000409212366 557006899 /nfs/dbraw/zinc/00/68/99/557006899.db2.gz QMKHTLHBULWQLX-HYARGMPZSA-N 0 0 430.323 5.276 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)S2)cc1 ZINC000409212723 557007311 /nfs/dbraw/zinc/00/73/11/557007311.db2.gz PYRRBIIEKFJCLG-UNOMPAQXSA-N 0 0 444.434 5.866 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4cccc(C)c4)NC3=O)c2C)cc1 ZINC000409187725 557007340 /nfs/dbraw/zinc/00/73/40/557007340.db2.gz UETNZKDVPAAVQZ-HAHDFKILSA-N 0 0 431.561 5.693 40 30 IKEBRN COc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409213258 557007831 /nfs/dbraw/zinc/00/78/31/557007831.db2.gz TVAOSWYAXZTCDZ-AFUMVMLFSA-N 0 0 443.952 5.792 40 30 IKEBRN C(=N/c1ccc(Oc2ccccc2)cc1)\c1ccccc1OCc1cccc2ccccc21 ZINC000409213305 557007832 /nfs/dbraw/zinc/00/78/32/557007832.db2.gz UDCUKYFDKYRXQI-NJZRLIGZSA-N 0 0 429.519 7.962 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(F)c2)cc1Cl ZINC000409213254 557007847 /nfs/dbraw/zinc/00/78/47/557007847.db2.gz TZLZYCQODAEOHG-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN Cc1ccc(COc2ccc(/C=N/c3cccc(Cl)c3C)cc2Br)cc1 ZINC000409213466 557007848 /nfs/dbraw/zinc/00/78/48/557007848.db2.gz VRNOXDZTJWCREW-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000409213610 557008093 /nfs/dbraw/zinc/00/80/93/557008093.db2.gz UNNHOALXKUNGAX-MZJWZYIUSA-N 0 0 436.939 6.042 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1ccccc1Cl ZINC000409213518 557008161 /nfs/dbraw/zinc/00/81/61/557008161.db2.gz PNLOFEVYXVWKGX-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(Cl)c2C)cc(I)c1OC ZINC000409213563 557008176 /nfs/dbraw/zinc/00/81/76/557008176.db2.gz PSWFHYWAANRXMG-KEBDBYFISA-N 0 0 429.685 5.411 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409213957 557008470 /nfs/dbraw/zinc/00/84/70/557008470.db2.gz URRVEPCFLJTECX-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3c[nH]c4ccc(Br)cc34)sc2C1 ZINC000409214541 557009107 /nfs/dbraw/zinc/00/91/07/557009107.db2.gz VUQUYZRGESFYEA-SVLFYUKMSA-N 0 0 440.410 6.765 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3c[nH]c4ccc(Br)cc34)sc2C1 ZINC000409214540 557009238 /nfs/dbraw/zinc/00/92/38/557009238.db2.gz VUQUYZRGESFYEA-IETDBYTCSA-N 0 0 440.410 6.765 40 30 IKEBRN CCOC(=O)C(CC(=O)c1ccc(Br)cc1)=Nc1cc(Cl)cc(Cl)c1 ZINC000409189153 557009526 /nfs/dbraw/zinc/00/95/26/557009526.db2.gz JAMXXHKRAKUPHJ-YBEGLDIGSA-N 0 0 443.124 5.498 40 30 IKEBRN O=C(/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1cccc(Cl)c1 ZINC000020353538 557009522 /nfs/dbraw/zinc/00/95/22/557009522.db2.gz GZDUYTRYVKOIIC-WXECKQFNSA-N 0 0 433.920 5.630 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(I)c(OCC)c(OCC)c2)cc1 ZINC000409215333 557010191 /nfs/dbraw/zinc/01/01/91/557010191.db2.gz ZDZNCYPRHNSTHP-FYJGNVAPSA-N 0 0 439.293 5.238 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)cc(I)c1OCC ZINC000409215554 557010420 /nfs/dbraw/zinc/01/04/20/557010420.db2.gz BCPXCKHQHUERJC-SRZZPIQSSA-N 0 0 443.712 5.801 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1C ZINC000409215664 557010424 /nfs/dbraw/zinc/01/04/24/557010424.db2.gz DCLBDXRJQSIDBE-OEAKJJBVSA-N 0 0 444.350 5.584 40 30 IKEBRN CCOc1cc(/C=N\c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)ccc1O[C@H](C)CC ZINC000409215594 557010490 /nfs/dbraw/zinc/01/04/90/557010490.db2.gz BXWKEXQPXQGUTE-VIXPHPPQSA-N 0 0 438.637 7.097 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccc(/C=N/c3ccc(C)c(Cl)c3)cc2Cl)c1 ZINC000409215945 557010939 /nfs/dbraw/zinc/01/09/39/557010939.db2.gz CHOYKAMBRYMBNX-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN Fc1ccccc1COc1ccc(Cl)cc1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409216119 557010943 /nfs/dbraw/zinc/01/09/43/557010943.db2.gz FHKYVWGJXQSIAF-STBIYBPSSA-N 0 0 431.894 7.601 40 30 IKEBRN COc1ccc(-n2c(C)cc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)c2C)cc1 ZINC000409216106 557010953 /nfs/dbraw/zinc/01/09/53/557010953.db2.gz DZKKWVXLAOPKGG-JHUOEDMDSA-N 0 0 445.632 6.938 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccc(C)c(Cl)c2)c1 ZINC000409216117 557010985 /nfs/dbraw/zinc/01/09/85/557010985.db2.gz FHBZFCNWNYSUMW-MUFRIFMGSA-N 0 0 442.946 6.878 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC ZINC000409196104 557011106 /nfs/dbraw/zinc/01/11/06/557011106.db2.gz XAFXUCGSZVNBKB-LDADJPATSA-N 0 0 448.327 5.645 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2/SC(=S)N(n3c(C)ccc3C)C2=O)cc1OCC ZINC000409194806 557011185 /nfs/dbraw/zinc/01/11/85/557011185.db2.gz MUGHXYGNJCQWSF-LDADJPATSA-N 0 0 448.997 5.259 40 30 IKEBRN Cc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000409216732 557011709 /nfs/dbraw/zinc/01/17/09/557011709.db2.gz KXVFJAQEDCZNGV-RDRPBHBLSA-N 0 0 427.931 7.770 40 30 IKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1Cl ZINC000409217854 557012426 /nfs/dbraw/zinc/01/24/26/557012426.db2.gz XPIGKGUKOZYWTH-RDRPBHBLSA-N 0 0 443.930 7.471 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1C(C)C ZINC000409218696 557012857 /nfs/dbraw/zinc/01/28/57/557012857.db2.gz XMUCYLZIGKGFIS-RRJMXWIWSA-N 0 0 428.985 6.008 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccccc1F ZINC000409219795 557013315 /nfs/dbraw/zinc/01/33/15/557013315.db2.gz UVCDAGJUJQAXCL-VULFUBBASA-N 0 0 442.328 6.625 40 30 IKEBRN O=[N+]([O-])c1ccc(Oc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)c([N+](=O)[O-])c1 ZINC000409200283 557013439 /nfs/dbraw/zinc/01/34/39/557013439.db2.gz HLYZWOFVCFCUGG-SSDVNMTOSA-N 0 0 432.219 6.353 40 30 IKEBRN COc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4C)NC3=O)c2C)cc1 ZINC000409199807 557013486 /nfs/dbraw/zinc/01/34/86/557013486.db2.gz DNDSHAZLCPOACZ-OEAKJJBVSA-N 0 0 431.561 5.611 40 30 IKEBRN Cc1cccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)c1C ZINC000409200640 557013686 /nfs/dbraw/zinc/01/36/86/557013686.db2.gz ISWPBDQSAZBLOT-LQKURTRISA-N 0 0 444.372 7.549 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(OC)cc2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409200606 557013779 /nfs/dbraw/zinc/01/37/79/557013779.db2.gz IOXCWEYKDFMSDS-VULFUBBASA-N 0 0 430.331 6.730 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccccc3F)c(Br)c2)cc1Cl ZINC000409202612 557013816 /nfs/dbraw/zinc/01/38/16/557013816.db2.gz SCSLGUZLZONIBG-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1cc(Cl)ccc1C ZINC000409202644 557013828 /nfs/dbraw/zinc/01/38/28/557013828.db2.gz SMTRZTAFNPXKGK-UFFVCSGVSA-N 0 0 443.566 6.489 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000409200987 557014003 /nfs/dbraw/zinc/01/40/03/557014003.db2.gz KVQCECVRRLNMJZ-UVHMKAGCSA-N 0 0 432.322 7.169 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c(C)c1 ZINC000409201585 557014303 /nfs/dbraw/zinc/01/43/03/557014303.db2.gz MTUVEPURYWLWNH-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN COc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409201618 557014398 /nfs/dbraw/zinc/01/43/98/557014398.db2.gz NBRNLYWWEWJQNR-ZMOGYAJESA-N 0 0 430.729 6.441 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1Cl ZINC000409201221 557014421 /nfs/dbraw/zinc/01/44/21/557014421.db2.gz KQNUPKXHJJZGIH-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)cc1C ZINC000409201728 557014699 /nfs/dbraw/zinc/01/46/99/557014699.db2.gz NNIBEMWUPQLWCR-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)ccc2OCC(=O)Nc2ccc(C)c(Cl)c2)cc1 ZINC000409203096 557015677 /nfs/dbraw/zinc/01/56/77/557015677.db2.gz UZJHWCMVFAPMOP-LGJNPRDNSA-N 0 0 443.330 6.079 40 30 IKEBRN COc1cccc(Oc2ccc(/N=C/c3cc(C)n(NC(=O)c4ccccc4)c3C)cc2)c1 ZINC000409202940 557015799 /nfs/dbraw/zinc/01/57/99/557015799.db2.gz VGKJNVUPXLQVRU-MTDXEUNCSA-N 0 0 439.515 6.040 40 30 IKEBRN Cc1cc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)c(C)n1-c1ccccn1 ZINC000409235837 557017865 /nfs/dbraw/zinc/01/78/65/557017865.db2.gz CIRQYGOOGGLFLZ-WGOQTCKBSA-N 0 0 428.517 6.299 40 30 IKEBRN COc1cc(N2CCOCC2)ccc1/C=N/c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000409237691 557019441 /nfs/dbraw/zinc/01/94/41/557019441.db2.gz KXLHLWRFEVMLIP-VUTHCHCSSA-N 0 0 430.592 5.750 40 30 IKEBRN COc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccccc4Cl)NC3=O)c2C)cc1 ZINC000409208093 557019631 /nfs/dbraw/zinc/01/96/31/557019631.db2.gz AUHYKYCZMYKUHQ-FYJGNVAPSA-N 0 0 437.952 5.648 40 30 IKEBRN C#CCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OCC ZINC000409208573 557020023 /nfs/dbraw/zinc/02/00/23/557020023.db2.gz GWRKOQPKXPBRPJ-LPYMAVHISA-N 0 0 433.289 5.069 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OC ZINC000409208542 557020084 /nfs/dbraw/zinc/02/00/84/557020084.db2.gz GQSIIBYSAIVYSN-KEBDBYFISA-N 0 0 429.685 5.411 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1C(C)C ZINC000409208894 557020102 /nfs/dbraw/zinc/02/01/02/557020102.db2.gz DAOUNKVWNCQWIK-PIINERKHSA-N 0 0 444.600 6.508 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(Cc3ccccc3)c2C)S/C1=N/c1ccc(OC)cc1 ZINC000409238565 557020144 /nfs/dbraw/zinc/02/01/44/557020144.db2.gz KJKZTNOINIAOAA-PHSRYYMBSA-N 0 0 445.588 5.786 40 30 IKEBRN COc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 ZINC000409209548 557020361 /nfs/dbraw/zinc/02/03/61/557020361.db2.gz CINTYAJOVVLRSR-RDRPBHBLSA-N 0 0 443.930 7.471 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OS(=O)(=O)c3ccc(Cl)cc3)c(Cl)c2)c(C)c1 ZINC000409209223 557020386 /nfs/dbraw/zinc/02/03/86/557020386.db2.gz HWCYKTOVFPSEKC-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN Cc1cccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cccc(Cl)c2C)c1 ZINC000409209537 557020420 /nfs/dbraw/zinc/02/04/20/557020420.db2.gz GHSMOOUZDOSQKJ-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409209156 557020430 /nfs/dbraw/zinc/02/04/30/557020430.db2.gz GBVZVWVEXOEGFP-YDZHTSKRSA-N 0 0 425.282 5.995 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)S/C1=N/c1ccc(F)cc1 ZINC000409239028 557020415 /nfs/dbraw/zinc/02/04/15/557020415.db2.gz YSWSQDPZYMJZFP-YMERHICUSA-N 0 0 426.900 6.363 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)cc1 ZINC000409209665 557020702 /nfs/dbraw/zinc/02/07/02/557020702.db2.gz HNYPEOAUMIUEHK-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3cc(C)ccc3C)cc2Cl)cc1 ZINC000409209572 557020716 /nfs/dbraw/zinc/02/07/16/557020716.db2.gz CNVFCLTWCJTDMN-DHRITJCHSA-N 0 0 448.371 6.437 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 ZINC000409209826 557020746 /nfs/dbraw/zinc/02/07/46/557020746.db2.gz HMDFXWWVOSHSJN-KBKYJPHKSA-N 0 0 439.169 7.938 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N1C(C)C ZINC000409209812 557020751 /nfs/dbraw/zinc/02/07/51/557020751.db2.gz HHHAWUVDMPCQLW-FTIPTLOASA-N 0 0 432.387 5.329 40 30 IKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000409210727 557020862 /nfs/dbraw/zinc/02/08/62/557020862.db2.gz GOGQREJWKJVEEV-ZVHZXABRSA-N 0 0 429.925 5.484 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1 ZINC000409210170 557021218 /nfs/dbraw/zinc/02/12/18/557021218.db2.gz ISJCRTJOMSMGNC-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2F)c(Br)c1 ZINC000409210198 557021306 /nfs/dbraw/zinc/02/13/06/557021306.db2.gz IQJQKIZSTMINAK-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN Cc1ccc(-c2ccc(/C=N/c3ccc(Oc4ccccc4C)cc3)o2)c(Br)c1 ZINC000409240672 557021599 /nfs/dbraw/zinc/02/15/99/557021599.db2.gz QXKNQYOQMWMPNM-JVWAILMASA-N 0 0 446.344 7.869 40 30 IKEBRN Cc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc32)cc1C ZINC000409210936 557022834 /nfs/dbraw/zinc/02/28/34/557022834.db2.gz HOQLUVFOOXQXGD-JVWAILMASA-N 0 0 449.959 6.628 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2ccc(CC)cc2)cc1Br ZINC000409211065 557023221 /nfs/dbraw/zinc/02/32/21/557023221.db2.gz KLLQWXZOGGTWKA-CIAFOILYSA-N 0 0 425.164 6.313 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 ZINC000409211152 557023400 /nfs/dbraw/zinc/02/34/00/557023400.db2.gz IDMDROPMLDYTBU-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc(Sc3ccc(C)cc3)cc2)cc1 ZINC000409232750 557024324 /nfs/dbraw/zinc/02/43/24/557024324.db2.gz PJCOYLIXQLOQMK-TURZUDJPSA-N 0 0 425.553 7.698 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409212137 557024579 /nfs/dbraw/zinc/02/45/79/557024579.db2.gz PKQDOLBJMUYQQU-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 ZINC000409212006 557025602 /nfs/dbraw/zinc/02/56/02/557025602.db2.gz PMXGGSRWDJCGSP-ZVHZXABRSA-N 0 0 426.310 5.796 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2cccc(C)c2C)cc1 ZINC000409212008 557025718 /nfs/dbraw/zinc/02/57/18/557025718.db2.gz PDBNBUDEMJLCCZ-WPWMEQJKSA-N 0 0 429.541 6.283 40 30 IKEBRN COc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409212584 557026312 /nfs/dbraw/zinc/02/63/12/557026312.db2.gz NGIZDOSIOFJCJQ-YDZHTSKRSA-N 0 0 441.281 5.696 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 ZINC000409212991 557027076 /nfs/dbraw/zinc/02/70/76/557027076.db2.gz NTLNYBWIZXUJIC-DHRITJCHSA-N 0 0 429.303 5.770 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 ZINC000409214133 557027240 /nfs/dbraw/zinc/02/72/40/557027240.db2.gz WNVJIXFANIFQLO-LGJNPRDNSA-N 0 0 434.750 7.375 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409214513 557027252 /nfs/dbraw/zinc/02/72/52/557027252.db2.gz YBIDJMYZUAFPSC-OCSSWDANSA-N 0 0 443.974 7.838 40 30 IKEBRN Cc1ccc(/N=C/c2c(OCC(=O)Nc3ccc(C)c(Cl)c3)ccc3ccccc32)cc1 ZINC000409214276 557027353 /nfs/dbraw/zinc/02/73/53/557027353.db2.gz WWRKMANEXNVJDE-MUFRIFMGSA-N 0 0 442.946 6.878 40 30 IKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(OC)cc1 ZINC000409214492 557027356 /nfs/dbraw/zinc/02/73/56/557027356.db2.gz VLYIGJBCYJVGPZ-RGVLZGJSSA-N 0 0 427.136 5.760 40 30 IKEBRN CC(C)/N=C1\S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)N1C(C)C ZINC000409213481 557027674 /nfs/dbraw/zinc/02/76/74/557027674.db2.gz VZJBFCNPRRVIHL-KQSCOELBSA-N 0 0 433.917 5.597 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c1 ZINC000409213743 557027703 /nfs/dbraw/zinc/02/77/03/557027703.db2.gz QPEUDAORXWGLSK-UVHMKAGCSA-N 0 0 441.358 6.687 40 30 IKEBRN CCOC(=O)c1c(/N=C/c2ccc(Br)c([N+](=O)[O-])c2)sc2c1CCCC2 ZINC000409213866 557027743 /nfs/dbraw/zinc/02/77/43/557027743.db2.gz UEAHHNUHPSNIFF-KEBDBYFISA-N 0 0 437.315 5.225 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 ZINC000409213741 557027765 /nfs/dbraw/zinc/02/77/65/557027765.db2.gz SXDOTTFMJUREJM-VULFUBBASA-N 0 0 442.328 6.489 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000409214813 557027946 /nfs/dbraw/zinc/02/79/46/557027946.db2.gz YINRLDKWYQKBQR-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409214874 557028014 /nfs/dbraw/zinc/02/80/14/557028014.db2.gz YHNHJBSBNHCMAC-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(/C=N/c3ccccc3C)cc2Cl)cc1Cl ZINC000409214850 557028020 /nfs/dbraw/zinc/02/80/20/557028020.db2.gz ZIIAQRRWOYHODJ-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 ZINC000409213924 557028059 /nfs/dbraw/zinc/02/80/59/557028059.db2.gz WGKGMDPEMPMGNT-DHRITJCHSA-N 0 0 428.301 6.235 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1 ZINC000409215171 557028259 /nfs/dbraw/zinc/02/82/59/557028259.db2.gz XUZBLZFSWWWVOZ-BRJLIKDPSA-N 0 0 429.303 6.848 40 30 IKEBRN CCOc1c(Cl)cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)cc1Cl ZINC000409247212 557028553 /nfs/dbraw/zinc/02/85/53/557028553.db2.gz GVPXTAQLCNSWMI-CXUHLZMHSA-N 0 0 441.767 6.246 40 30 IKEBRN C#CCOc1c(Br)cc(/C=N/c2ccc(OCC)cc2)cc1Br ZINC000409214600 557029225 /nfs/dbraw/zinc/02/92/25/557029225.db2.gz WIJTZYLWLACBCL-CIAFOILYSA-N 0 0 437.131 5.373 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)ccc2OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409214709 557029426 /nfs/dbraw/zinc/02/94/26/557029426.db2.gz XVFYYCDNQIJTCP-ZVHZXABRSA-N 0 0 434.344 6.074 40 30 IKEBRN CCN1C(=O)/C(=C\c2cccn2-c2ccc(C)c(C)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409248672 557029518 /nfs/dbraw/zinc/02/95/18/557029518.db2.gz HWRGEYBQAOXHCN-XZKXACHFSA-N 0 0 431.561 5.727 40 30 IKEBRN COc1ccc(/N=C/c2ccc(OCc3cccc4ccccc43)c(Br)c2)cc1 ZINC000409217616 557029901 /nfs/dbraw/zinc/02/99/01/557029901.db2.gz QTQCWGNDXZWUGC-JVWAILMASA-N 0 0 446.344 6.941 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 ZINC000409215532 557029939 /nfs/dbraw/zinc/02/99/39/557029939.db2.gz AQYXYZZTONLSRS-AFUMVMLFSA-N 0 0 444.756 6.831 40 30 IKEBRN CCOc1ccc(/N=C/c2c(OS(=O)(=O)c3ccc(C)cc3)ccc3ccccc32)cc1 ZINC000409215884 557030089 /nfs/dbraw/zinc/03/00/89/557030089.db2.gz GCJNTGQRUALOKP-OVVQPSECSA-N 0 0 445.540 6.065 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409215660 557030108 /nfs/dbraw/zinc/03/01/08/557030108.db2.gz CZUZCKZCZCGTBZ-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccccc2Sc2ccccc2)S/C1=N/c1ccc(OC)cc1 ZINC000409249777 557030214 /nfs/dbraw/zinc/03/02/14/557030214.db2.gz VNYMKHWZYWAYKQ-CGINZGNNSA-N 0 0 446.597 6.470 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 ZINC000409215733 557030218 /nfs/dbraw/zinc/03/02/18/557030218.db2.gz DUMVECXLSRVPHR-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1c(OCc2ccccc2)ccc2ccccc21 ZINC000408527328 557030258 /nfs/dbraw/zinc/03/02/58/557030258.db2.gz AEDRHEZROCRFKR-UQQQWYQISA-N 0 0 436.536 6.310 40 30 IKEBRN C=CCOc1c(/C=C2\SC(=S)N(c3ccc(OC)c(Cl)c3)C2=O)cccc1OC ZINC000408526334 557030264 /nfs/dbraw/zinc/03/02/64/557030264.db2.gz AWCOUWYKTXKGNB-WQRHYEAKSA-N 0 0 447.965 5.328 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccc(OCc2ccccc2F)cc1 ZINC000408527282 557030279 /nfs/dbraw/zinc/03/02/79/557030279.db2.gz AAAAMJOZNOIWRW-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN C=CCOc1c(/C=C2\SC(=S)N(c3ccc(OCC)cc3)C2=O)cccc1OC ZINC000408528442 557031268 /nfs/dbraw/zinc/03/12/68/557031268.db2.gz GEJATLPXFFRXQI-RGEXLXHISA-N 0 0 427.547 5.065 40 30 IKEBRN CCCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(C)cc2)NC1=O ZINC000408528518 557031281 /nfs/dbraw/zinc/03/12/81/557031281.db2.gz FGXMURLHIBNTPW-PDGQHHTCSA-N 0 0 431.355 5.438 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccccc1 ZINC000409216592 557031317 /nfs/dbraw/zinc/03/13/17/557031317.db2.gz MQPNYKIAIHRRAR-BUVRLJJBSA-N 0 0 429.925 5.565 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 ZINC000409216728 557031328 /nfs/dbraw/zinc/03/13/28/557031328.db2.gz KVKRNJFPNUFSHK-ZVHZXABRSA-N 0 0 429.925 5.484 40 30 IKEBRN Cc1ccc(COc2ccc(/C=C3/SC(=Nc4cccc(Cl)c4C)NC3=O)cc2)cc1 ZINC000409250761 557031331 /nfs/dbraw/zinc/03/13/31/557031331.db2.gz YBRQXKUZVXUQIJ-OEAKJJBVSA-N 0 0 448.975 6.427 40 30 IKEBRN C=CCOc1c(Br)cc(/C=N/c2ccc(C)c(Cl)c2)cc1Br ZINC000409217121 557031546 /nfs/dbraw/zinc/03/15/46/557031546.db2.gz RZVSXWRSXGQIRA-UFFVCSGVSA-N 0 0 443.566 6.489 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1OCC ZINC000408530078 557031578 /nfs/dbraw/zinc/03/15/78/557031578.db2.gz IOENKPKZGTYLAK-UYRXBGFRSA-N 0 0 428.941 5.504 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 ZINC000409217464 557031609 /nfs/dbraw/zinc/03/16/09/557031609.db2.gz VRIVABVRGTUGRI-CVKSISIWSA-N 0 0 438.365 6.794 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000409217366 557031646 /nfs/dbraw/zinc/03/16/46/557031646.db2.gz PMGYOVQXWNMCEW-FDAWAROLSA-N 0 0 435.954 8.284 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2/C=N/c2ccc(C)c(Cl)c2)cc1 ZINC000409218147 557031920 /nfs/dbraw/zinc/03/19/20/557031920.db2.gz STNIFXISSYDMTN-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Cl)c2)c1C ZINC000409218159 557032024 /nfs/dbraw/zinc/03/20/24/557032024.db2.gz SUMZSCZGVFGCAJ-BRJLIKDPSA-N 0 0 429.303 6.848 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4cccc(Cl)c4)c3)S2)cc1 ZINC000408531452 557032082 /nfs/dbraw/zinc/03/20/82/557032082.db2.gz LZTIXMNWQZIOFS-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1OC ZINC000408531746 557032090 /nfs/dbraw/zinc/03/20/90/557032090.db2.gz QJROWHGOSAEGSQ-BOPFTXTBSA-N 0 0 435.332 5.458 40 30 IKEBRN CCOc1ccc(Br)cc1/C=C1\SC(=Nc2ccc(Cl)cc2)NC1=O ZINC000408532864 557032098 /nfs/dbraw/zinc/03/20/98/557032098.db2.gz WKZBXJZMLFBBQZ-YBEGLDIGSA-N 0 0 437.746 5.393 40 30 IKEBRN CCCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)cc1Cl ZINC000408533441 557032442 /nfs/dbraw/zinc/03/24/42/557032442.db2.gz YQJQXWXRCIJXLJ-YBEGLDIGSA-N 0 0 441.767 6.327 40 30 IKEBRN C=CCOc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2Br)C1=O ZINC000408536493 557032574 /nfs/dbraw/zinc/03/25/74/557032574.db2.gz ZVANBZLQJQQIQY-PDGQHHTCSA-N 0 0 430.323 5.250 40 30 IKEBRN C=CCOc1c(/C=C2/SC(=S)N(c3cccc4ccccc43)C2=O)cccc1OC ZINC000408536084 557032661 /nfs/dbraw/zinc/03/26/61/557032661.db2.gz XZXPGTQHXPOAEV-RCCKNPSSSA-N 0 0 433.554 5.819 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C/c1cn(CCOc2ccccc2)c2ccccc12 ZINC000409218616 557032671 /nfs/dbraw/zinc/03/26/71/557032671.db2.gz WGZNCKQLRIJKID-JJIBRWJFSA-N 0 0 439.540 5.612 40 30 IKEBRN CCOc1cc(/C=N/c2cccc(C)c2C)ccc1OCc1ccc(Br)cc1 ZINC000409219031 557033005 /nfs/dbraw/zinc/03/30/05/557033005.db2.gz MMWOHHULCDHSTE-CVKSISIWSA-N 0 0 438.365 6.794 40 30 IKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)cc2OC)C2=C1CC(C)(C)CC2=O ZINC000409218921 557033037 /nfs/dbraw/zinc/03/30/37/557033037.db2.gz YLJAKAHYCWQFQP-UHFFFAOYSA-N 0 0 437.580 5.409 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408541117 557033336 /nfs/dbraw/zinc/03/33/36/557033336.db2.gz DUXATHLJHKTPPT-TURZUDJPSA-N 0 0 428.532 5.651 40 30 IKEBRN COc1cc(/C=N\c2cccc(C)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408542043 557033657 /nfs/dbraw/zinc/03/36/57/557033657.db2.gz JMYGFMACRJKXRA-CEUNXORHSA-N 0 0 442.559 5.959 40 30 IKEBRN CCOC(=O)c1ccc(/N=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)cc1 ZINC000408542367 557033881 /nfs/dbraw/zinc/03/38/81/557033881.db2.gz LHWXWPIVJAFHRU-LQKURTRISA-N 0 0 440.499 5.404 40 30 IKEBRN CCCCCCCCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1Cl ZINC000408539623 557033900 /nfs/dbraw/zinc/03/39/00/557033900.db2.gz IVMKKDPTVHNYGM-SFQUDFHCSA-N 0 0 443.396 5.839 40 30 IKEBRN CCCCCCCCOc1ccc(/C=C2/SC(=Nc3ccccc3)NC2=O)cc1OC ZINC000408542615 557033929 /nfs/dbraw/zinc/03/39/29/557033929.db2.gz MOMMGWSZNWFQEU-PTGBLXJZSA-N 0 0 438.593 6.326 40 30 IKEBRN COc1cc(/C=N/c2ccc(O)cc2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408543441 557034514 /nfs/dbraw/zinc/03/45/14/557034514.db2.gz RCLYETLEZOROMU-MTDXEUNCSA-N 0 0 444.531 5.357 40 30 IKEBRN C#CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OCC ZINC000408558712 557038497 /nfs/dbraw/zinc/03/84/97/557038497.db2.gz SGBXCEOSAKDENL-UHFFFAOYSA-N 0 0 429.141 5.779 40 30 IKEBRN C=CCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OCC ZINC000408558692 557038535 /nfs/dbraw/zinc/03/85/35/557038535.db2.gz SDLDEJWMORENKL-UHFFFAOYSA-N 0 0 431.157 6.332 40 30 IKEBRN CCOc1cc(C=NNc2ccccc2)ccc1OCc1ccc(Br)cc1 ZINC000409264183 557041419 /nfs/dbraw/zinc/04/14/19/557041419.db2.gz NLAUJMCVORAWNY-BUVRLJJBSA-N 0 0 425.326 5.873 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccccc2C=C2C(=O)c3ccccc3C2=O)cc1Cl ZINC000408574817 557043078 /nfs/dbraw/zinc/04/30/78/557043078.db2.gz DQLSHVZPIFJIFN-UHFFFAOYSA-N 0 0 431.875 5.129 40 30 IKEBRN CC1CCN(c2ccc(/C=C3/S/C(=N/c4ccccc4)N(C4CCCCC4)C3=O)o2)CC1 ZINC000409275242 557043797 /nfs/dbraw/zinc/04/37/97/557043797.db2.gz ZRZCLTDDCKLELO-OVEFUCHESA-N 0 0 449.620 6.453 40 30 IKEBRN O=c1c2ccccc2nc(C2CCCCC2)n1N=Cc1ccccc1OCc1ccccc1 ZINC000409276666 557044592 /nfs/dbraw/zinc/04/45/92/557044592.db2.gz UWCSAOGBWJKFQM-UHFFFAOYSA-N 0 0 437.543 5.905 40 30 IKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)Cn3cc(C=O)c4ccccc43)sc2C1 ZINC000408580557 557044788 /nfs/dbraw/zinc/04/47/88/557044788.db2.gz CJFBHXKNOBKHBA-KRWDZBQOSA-N 0 0 433.577 5.567 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(C=C3C(=O)c4ccccc4C3=O)cc2)cc1Cl ZINC000408575555 557045182 /nfs/dbraw/zinc/04/51/82/557045182.db2.gz MJDKFABOYDLFIL-UHFFFAOYSA-N 0 0 431.875 5.129 40 30 IKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3cc(Cl)ccc3O)cc21 ZINC000409278996 557045760 /nfs/dbraw/zinc/04/57/60/557045760.db2.gz HJDKWBKDTJYZGF-UHFFFAOYSA-N 0 0 445.862 5.060 40 30 IKEBRN CC[C@@H](C)Oc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cccc1OC ZINC000409279486 557046032 /nfs/dbraw/zinc/04/60/32/557046032.db2.gz HUBRZJWPCAKVDK-GOSISDBHSA-N 0 0 433.552 5.512 40 30 IKEBRN CC(C)c1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)cc1 ZINC000409279399 557046046 /nfs/dbraw/zinc/04/60/46/557046046.db2.gz HHVQVEXLUKYBHL-UHFFFAOYSA-N 0 0 435.449 6.088 40 30 IKEBRN O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1cccc(C(F)(F)F)c1 ZINC000409279249 557046074 /nfs/dbraw/zinc/04/60/74/557046074.db2.gz HCVYCMQRXMWVRP-UHFFFAOYSA-N 0 0 433.389 5.711 40 30 IKEBRN CCCc1ccc(-c2cc(F)c(COc3c(F)c(F)c(F)c(F)c3F)c(F)c2)cc1 ZINC000205435020 557046122 /nfs/dbraw/zinc/04/61/22/557046122.db2.gz MDUMQSDWDVDAPU-UHFFFAOYSA-N 0 0 428.347 6.859 40 30 IKEBRN O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1N=Cc1c[nH]c2ccccc12 ZINC000409280826 557046375 /nfs/dbraw/zinc/04/63/75/557046375.db2.gz MGAWAHMOQRGKKQ-UHFFFAOYSA-N 0 0 432.405 5.446 40 30 IKEBRN CCOc1ccccc1C=Nn1c(=O)c2ccccc2nc1-c1cccc(C(F)(F)F)c1 ZINC000409280947 557046880 /nfs/dbraw/zinc/04/68/80/557046880.db2.gz CGRIALRXYWEPDA-UHFFFAOYSA-N 0 0 437.421 5.363 40 30 IKEBRN COc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OC)c1OC(C)C ZINC000409283479 557048561 /nfs/dbraw/zinc/04/85/61/557048561.db2.gz QQJVYOKLXMGIIM-UHFFFAOYSA-N 0 0 449.551 5.131 40 30 IKEBRN CC(C)c1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1 ZINC000409284440 557048814 /nfs/dbraw/zinc/04/88/14/557048814.db2.gz RHBYSFXYEQTHRL-UHFFFAOYSA-N 0 0 426.358 5.462 40 30 IKEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=C/C(C)=C/c2ccco2)cc1C(C)C ZINC000409284313 557048860 /nfs/dbraw/zinc/04/88/60/557048860.db2.gz TZIZULBURICUFX-WYZIOEFASA-N 0 0 441.531 6.034 40 30 IKEBRN CC[C@@H](C)Oc1cccc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1 ZINC000409292928 557050050 /nfs/dbraw/zinc/05/00/50/557050050.db2.gz GCYYNJXZRZHYPF-GOSISDBHSA-N 0 0 437.499 5.869 40 30 IKEBRN C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OCC)c1O ZINC000409293871 557050736 /nfs/dbraw/zinc/05/07/36/557050736.db2.gz MDZRRTIUDWMUGJ-UHFFFAOYSA-N 0 0 431.536 5.159 40 30 IKEBRN CC[C@@H](C)Oc1cc(N(C)C)ccc1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409291022 557052788 /nfs/dbraw/zinc/05/27/88/557052788.db2.gz OFJRAQNSZXPNTQ-LJQANCHMSA-N 0 0 446.595 5.570 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1cc(Cl)ccc1Cl ZINC000408591896 557054420 /nfs/dbraw/zinc/05/44/20/557054420.db2.gz VXZLXOYFCSDJDY-LSHDLFTRSA-N 0 0 448.266 5.663 40 30 IKEBRN N#CCOc1ccc2ccccc2c1C=Nn1c(=O)c2ccccc2nc1C1CCCCC1 ZINC000409297418 557054606 /nfs/dbraw/zinc/05/46/06/557054606.db2.gz KNVYBALNWJRJCA-UHFFFAOYSA-N 0 0 436.515 5.382 40 30 IKEBRN COc1ccc(C=Nn2c(=O)c3ccccc3nc2-c2cccc(C(F)(F)F)c2)c(C)c1 ZINC000409298945 557055017 /nfs/dbraw/zinc/05/50/17/557055017.db2.gz ONVHCJWVHLVYQX-UHFFFAOYSA-N 0 0 437.421 5.282 40 30 IKEBRN CCOc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Br)c1OC(C)C ZINC000408589660 557055451 /nfs/dbraw/zinc/05/54/51/557055451.db2.gz FIDMTECZUHQJTE-SRZZPIQSSA-N 0 0 437.290 5.094 40 30 IKEBRN Cc1c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c2ccccc2n1C(C)C ZINC000409304134 557056292 /nfs/dbraw/zinc/05/62/92/557056292.db2.gz QDNTYIVARHCJFH-UHFFFAOYSA-N 0 0 426.564 6.170 40 30 IKEBRN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/Sc4ccccc4C3=O)cc2)cc1 ZINC000409304448 557056346 /nfs/dbraw/zinc/05/63/46/557056346.db2.gz QSEIZLSWVVLIOX-HYARGMPZSA-N 0 0 429.497 5.120 40 30 IKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(C)n(C2CCCC2)c1C ZINC000409304381 557056373 /nfs/dbraw/zinc/05/63/73/557056373.db2.gz JVSLXQXTXRCCIA-UHFFFAOYSA-N 0 0 441.373 5.137 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1ccc(OCc2ccc(F)cc2)c(Br)c1 ZINC000408591261 557056489 /nfs/dbraw/zinc/05/64/89/557056489.db2.gz JHECPVMLMATWQJ-LGJNPRDNSA-N 0 0 439.284 5.590 40 30 IKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C\c2c3ccccc3cc3ccccc32)S1 ZINC000409231234 557057197 /nfs/dbraw/zinc/05/71/97/557057197.db2.gz IZVBPQHTAKFYBH-OEAKJJBVSA-N 0 0 428.944 6.846 40 30 IKEBRN COc1cc(/C=C2\Sc3ccccc3C2=O)ccc1OCC(=O)Nc1cccc(C)c1 ZINC000409312412 557058170 /nfs/dbraw/zinc/05/81/70/557058170.db2.gz LMCYSKLITCHMIN-UCQKPKSFSA-N 0 0 431.513 5.351 40 30 IKEBRN COc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2sccc2C)cc1C(C)C ZINC000409305737 557058883 /nfs/dbraw/zinc/05/88/83/557058883.db2.gz XECFSIMMRSCSDX-UHFFFAOYSA-N 0 0 431.561 5.756 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000408595766 557059069 /nfs/dbraw/zinc/05/90/69/557059069.db2.gz NUZQNRSYMDWFBC-LQKURTRISA-N 0 0 437.455 5.749 40 30 IKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(Br)c(C)c1 ZINC000408595392 557059145 /nfs/dbraw/zinc/05/91/45/557059145.db2.gz WMPUHAJYVAERCN-FSJBWODESA-N 0 0 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ZINC000408764759 557182810 /nfs/dbraw/zinc/18/28/10/557182810.db2.gz JWMKNYFTYMKGST-WQRHYEAKSA-N 0 0 445.382 5.745 40 30 IKEBRN C#CCOc1c(CC=C)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OCC ZINC000408766180 557188653 /nfs/dbraw/zinc/18/86/53/557188653.db2.gz PNMCMILEBZVKJV-QJOMJCCJSA-N 0 0 446.572 5.280 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccc(Cl)cc4)NC3=O)c2C)cc1 ZINC000408765825 557188673 /nfs/dbraw/zinc/18/86/73/557188673.db2.gz QNVNGHUBUULKAS-HMAPJEAMSA-N 0 0 435.980 6.202 40 30 IKEBRN Cc1ccc(COc2ccc([C@@H]3Nc4c(C#N)cc([N+](=O)[O-])cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 ZINC000408766846 557189058 /nfs/dbraw/zinc/18/90/58/557189058.db2.gz STMMMMNJCDLAFM-USZFVNFHSA-N 0 0 437.499 6.180 40 30 IKEBRN Cc1cc(/C=N\c2ccc([N+](=O)[O-])cc2)c(C)n1-c1ccc(I)cc1 ZINC000408771144 557195436 /nfs/dbraw/zinc/19/54/36/557195436.db2.gz DKFXMEFSOQGJLG-MTJSOVHGSA-N 0 0 445.260 5.358 40 30 IKEBRN C=CCc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1O ZINC000408773597 557196256 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CCOc1ccc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)cc1Cl ZINC000408784042 557207213 /nfs/dbraw/zinc/20/72/13/557207213.db2.gz QUAQMYHIHDXCCN-DHDCSXOGSA-N 0 0 427.740 5.937 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Br)cc3)NC2=O)c(C)n1C1CCCC1 ZINC000408784937 557208100 /nfs/dbraw/zinc/20/81/00/557208100.db2.gz WWEPMSLIDRHRFM-UNOMPAQXSA-N 0 0 444.398 5.874 40 30 IKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(C)c(C)c4)NC3=O)c2c1 ZINC000408785595 557208346 /nfs/dbraw/zinc/20/83/46/557208346.db2.gz HUXQSBRUTYQDDL-IWIPYMOSSA-N 0 0 446.572 6.146 40 30 IKEBRN CCOc1c(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)cccc1OC ZINC000408802729 557213426 /nfs/dbraw/zinc/21/34/26/557213426.db2.gz GQQXBENDBNGUNP-QQXSKIMKSA-N 0 0 440.609 5.847 40 30 IKEBRN O=C(COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1)NCCc1ccccc1 ZINC000408804719 557217697 /nfs/dbraw/zinc/21/76/97/557217697.db2.gz GWTWKMBSROLVIR-MWLSYYOVSA-N 0 0 426.438 5.194 40 30 IKEBRN CCOc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000408807738 557219397 /nfs/dbraw/zinc/21/93/97/557219397.db2.gz FBRRJKOLANMWAY-BIFPGVLTSA-N 0 0 434.948 6.547 40 30 IKEBRN N#CCn1cc(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc21 ZINC000408808647 557222992 /nfs/dbraw/zinc/22/29/92/557222992.db2.gz QNRPKHOHLHXRAX-NTFVMDSBSA-N 0 0 444.604 5.918 40 30 IKEBRN Cc1cc(C)cc(NC(=O)c2c(/N=C/c3cn(C)c4ccccc34)sc3c2CCCC3)c1 ZINC000408814316 557227785 /nfs/dbraw/zinc/22/77/85/557227785.db2.gz SNLLDVJDXISJNS-RWPZCVJISA-N 0 0 441.600 6.738 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408818005 557231034 /nfs/dbraw/zinc/23/10/34/557231034.db2.gz OQHDWPYZFJNFFB-UHFFFAOYSA-N 0 0 432.306 6.459 40 30 IKEBRN CCCCCOc1ccc(CN=Nc2nc(-c3ccc(Br)cc3)cs2)cc1 ZINC000011992307 557237911 /nfs/dbraw/zinc/23/79/11/557237911.db2.gz QMMJOUNOUDAUQC-OEAKJJBVSA-N 0 0 444.398 6.588 40 30 IKEBRN O=C([C@@H]1CCCCC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000100115646 557240930 /nfs/dbraw/zinc/24/09/30/557240930.db2.gz ZSCSEYRTJFTOQR-RXMQYKEDSA-N 0 0 444.187 5.054 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N/NCc3ccc(Cl)cc3)o2)c(Br)c1 ZINC000010118818 557244964 /nfs/dbraw/zinc/24/49/64/557244964.db2.gz KTUOPTWGIXZPDU-SSDVNMTOSA-N 0 0 434.677 5.394 40 30 IKEBRN Cc1c(Cl)cccc1/N=C1\SCCN1C(=O)CCc1ncc(-c2ccccc2)o1 ZINC000014774950 557245528 /nfs/dbraw/zinc/24/55/28/557245528.db2.gz JABZEWDOYBYTAT-LVWGJNHUSA-N 0 0 425.941 5.499 40 30 IKEBRN C=C1C(=O)C(OC)C(=CCCCCCCCCCCCCCCCCCC)C(=O)C1OC ZINC000100166954 557245738 /nfs/dbraw/zinc/24/57/38/557245738.db2.gz LWUFLFCSIAGKGD-UHFFFAOYSA-N 0 0 448.688 8.001 40 30 IKEBRN CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCCC ZINC000100167311 557245764 /nfs/dbraw/zinc/24/57/64/557245764.db2.gz YEVRRNZSZWIYCX-BIXSNLIQSA-N 0 0 448.776 10.264 40 30 IKEBRN CCOc1ccc(C(=O)C2=C(SCC)S[C@H](c3ccc(Cl)cc3)CC2=O)cc1 ZINC000026896902 557250561 /nfs/dbraw/zinc/25/05/61/557250561.db2.gz XUOCAUYMKJWQGK-IBGZPJMESA-N 0 0 432.994 6.333 40 30 IKEBRN Clc1cc(Cl)c(OCc2ccccc2)c(/C=N/c2ccc(N3CCOCC3)cc2)c1 ZINC000100384170 557259408 /nfs/dbraw/zinc/25/94/08/557259408.db2.gz BUAIDGVVGXAZFS-JVWAILMASA-N 0 0 441.358 6.160 40 30 IKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H]2c1ccccc1 ZINC000100421504 557260508 /nfs/dbraw/zinc/26/05/08/557260508.db2.gz FQNBGXGKYSKSJR-HYBUGGRVSA-N 0 0 433.511 5.536 40 30 IKEBRN FC(F)C(F)(F)C(F)(F)C(F)(F)COCC(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000100424588 557260551 /nfs/dbraw/zinc/26/05/51/557260551.db2.gz RAGOGQITHBODEI-UHFFFAOYSA-N 0 0 446.125 5.345 40 30 IKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C\c1cc3c(cc1[N+](=O)[O-])OCO3)CCCC2 ZINC000408843818 557263090 /nfs/dbraw/zinc/26/30/90/557263090.db2.gz AWJNWRHEBOKXRG-MSXFZWOLSA-N 0 0 449.488 5.267 40 30 IKEBRN Clc1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1 ZINC000408844069 557263432 /nfs/dbraw/zinc/26/34/32/557263432.db2.gz GTUREIADSOIODU-FBHDLOMBSA-N 0 0 427.150 7.251 40 30 IKEBRN CCCCOc1ccc(/C=C2\SC(=Nc3cc(C)ccc3OC)NC2=O)cc1OC ZINC000408843660 557265166 /nfs/dbraw/zinc/26/51/66/557265166.db2.gz AOBUHNOHMOVQJL-STZFKDTASA-N 0 0 426.538 5.083 40 30 IKEBRN C[C@@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(Cl)cc2Cl)S/C1=N\c1ccccc1 ZINC000408844926 557265755 /nfs/dbraw/zinc/26/57/55/557265755.db2.gz JCUALCWFQCFLGI-ZVMHVJJHSA-N 0 0 445.415 7.176 40 30 IKEBRN C=CCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1OC ZINC000408845516 557266071 /nfs/dbraw/zinc/26/60/71/557266071.db2.gz KBOFAUGUUOVDKD-PKAZHMFMSA-N 0 0 446.572 6.203 40 30 IKEBRN O=C1/C(=C/c2cccn2-c2ccccc2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408847083 557267507 /nfs/dbraw/zinc/26/75/07/557267507.db2.gz MHDNRHSNOVFZEB-NKDOTSDESA-N 0 0 435.552 6.282 40 30 IKEBRN CC/N=C1\S/C(=C\c2cc(C)c(OCc3ccc(Cl)cc3)c(C)c2)C(=O)N1CC ZINC000408848335 557271357 /nfs/dbraw/zinc/27/13/57/557271357.db2.gz YAVOFYNAWXTRFO-VDJWSQCXSA-N 0 0 428.985 5.848 40 30 IKEBRN CC(C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408849788 557274202 /nfs/dbraw/zinc/27/42/02/557274202.db2.gz ZFIRLZOYAJAHLQ-LUTPDKMQSA-N 0 0 434.605 6.657 40 30 IKEBRN C=CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2)S/C1=N/c1cccc2ccccc21 ZINC000100879386 557277670 /nfs/dbraw/zinc/27/76/70/557277670.db2.gz AIMXGCGQNSPXDQ-BPMVYWJCSA-N 0 0 449.963 5.640 40 30 IKEBRN CCCCCCCCSCC(=O)NCCNC(=O)CSCCCCCCCC ZINC000100934653 557279182 /nfs/dbraw/zinc/27/91/82/557279182.db2.gz AQNKZSLUUNKELF-UHFFFAOYSA-N 0 0 432.740 5.406 40 30 IKEBRN CC(C)OC(=O)c1ccc(-c2ccc(/C=N\c3sc4c(c3C(N)=O)CCCC4)o2)cc1 ZINC000100982417 557280854 /nfs/dbraw/zinc/28/08/54/557280854.db2.gz BBIJRHRKUUPSNE-ZMFRSBBQSA-N 0 0 436.533 5.302 40 30 IKEBRN CCCCCCCSc1nnc2c(n1)OC(=C(O)c1ccccc1)Nc1ccccc1-2 ZINC000101007400 557281011 /nfs/dbraw/zinc/28/10/11/557281011.db2.gz MSOZYYWGVCBILY-QHCPKHFHSA-N 0 0 434.565 5.614 40 30 IKEBRN O=C(/C=C/c1ccc(O)cc1)C(C(=O)/C=C/c1ccc(O)cc1)=C1SCCCCS1 ZINC000101461081 557292793 /nfs/dbraw/zinc/29/27/93/557292793.db2.gz VYQAYQUBPWDQHR-FNCQTZNRSA-N 0 0 438.570 5.434 40 30 IKEBRN O=C(CC1S/C(=N\c2ccccc2)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000101573468 557294127 /nfs/dbraw/zinc/29/41/27/557294127.db2.gz RTQUVIKQMWQVQF-UOODYVSWSA-N 0 0 435.936 5.505 40 30 IKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc4ccccc4o3)sc2C1 ZINC000014067313 557296671 /nfs/dbraw/zinc/29/66/71/557296671.db2.gz HMRQUVOVIRORPI-AWEZNQCLSA-N 0 0 439.606 6.033 40 30 IKEBRN COc1cc(/C=C2/S/C(=N/c3ccccc3)NC2=O)ccc1OCc1cccc(C)c1 ZINC000113834749 557307556 /nfs/dbraw/zinc/30/75/56/557307556.db2.gz GTZZEUVKPRUZLW-HZHRSRAPSA-N 0 0 430.529 5.474 40 30 IKEBRN O=C1N/C(=N\c2ccccc2Cl)S/C1=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000113837578 557307827 /nfs/dbraw/zinc/30/78/27/557307827.db2.gz DZPQDLQJUHGEBX-MKMNVTDBSA-N 0 0 428.684 5.447 40 30 IKEBRN N#Cc1ccccc1-c1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc43)C2=O)o1 ZINC000014132647 557308970 /nfs/dbraw/zinc/30/89/70/557308970.db2.gz LFJAAWJOTLZHAE-ZVHZXABRSA-N 0 0 436.492 6.208 40 30 IKEBRN Cc1ccc(C(=O)C=C2Nc3ccc([N+](=O)[O-])cc3NC2=CC(=O)c2ccc(C)cc2)cc1 ZINC000102896297 557309392 /nfs/dbraw/zinc/30/93/92/557309392.db2.gz ORXNONNFHLAHLN-KZSQTELISA-N 0 0 439.471 5.583 40 30 IKEBRN CCCCCCCCCCCCS(=O)(=O)Nc1ccccc1/C(=N/O)c1ccccc1 ZINC000103005680 557311780 /nfs/dbraw/zinc/31/17/80/557311780.db2.gz BMSHMTIZGLXLTA-OCEACIFDSA-N 0 0 444.641 6.576 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2cccc(OCc3c(Cl)cccc3Cl)c2)SC1=S ZINC000002847810 557312746 /nfs/dbraw/zinc/31/27/46/557312746.db2.gz UXGATXLGXPZDJJ-WQRHYEAKSA-N 0 0 436.385 5.960 40 30 IKEBRN O=C1C=C(Cl)[C@H]2CC(Nc3ccccc3)=C3C(=O)C=C(Cl)c4cc(Cl)c1c2c43 ZINC000103693174 557318028 /nfs/dbraw/zinc/31/80/28/557318028.db2.gz DKTMGOWAHFWZTD-IPQOISQHSA-N 0 0 428.702 5.998 40 30 IKEBRN Cc1ccc(/N=C(/C(=O)c2ccccc2)[C@H](Nc2ccc(C)cc2)C(=O)c2ccccc2)cc1 ZINC000104080796 557320063 /nfs/dbraw/zinc/32/00/63/557320063.db2.gz MVHBIQWZFZKONM-XOHYTFRVSA-N 0 0 446.550 6.622 40 30 IKEBRN CC(=CN=Nc1nnc(N=NC=C(C)Cc2ccccc2)c2ccccc21)Cc1ccccc1 ZINC000104079204 557320081 /nfs/dbraw/zinc/32/00/81/557320081.db2.gz BPCYNUABEPJTQI-AUBKGTFFSA-N 0 0 446.558 6.632 40 30 IKEBRN Cc1ccc(/N=C(/C(=O)c2ccccc2)[C@@H](Nc2ccc(C)cc2)C(=O)c2ccccc2)cc1 ZINC000104080787 557320099 /nfs/dbraw/zinc/32/00/99/557320099.db2.gz MVHBIQWZFZKONM-WABZQMDPSA-N 0 0 446.550 6.622 40 30 IKEBRN CCCCCCCCCCCCCCCc1cc(=O)n(-c2ccc(NC(C)=O)cc2)n1C ZINC000104108288 557320748 /nfs/dbraw/zinc/32/07/48/557320748.db2.gz BQLTWPDERFANPE-UHFFFAOYSA-N 0 0 441.660 6.768 40 30 IKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OCCSCCOC(C)=O ZINC000104137710 557320871 /nfs/dbraw/zinc/32/08/71/557320871.db2.gz IUZMMIWMHAGIMN-KHPPLWFESA-N 0 0 428.679 6.863 40 30 IKEBRN CCCCCCCC/C=C\CCCCCCCC(=O)OCCCCCCCCCCC ZINC000104136873 557320913 /nfs/dbraw/zinc/32/09/13/557320913.db2.gz XUXHXFXVUACXPI-NXVVXOECSA-N 0 0 436.765 10.098 40 30 IKEBRN CCCCCCCCCCCCCCOc1ccc(OCCCCCCCCC)cc1 ZINC000104134563 557321089 /nfs/dbraw/zinc/32/10/89/557321089.db2.gz ICMVFGGACQEVAH-UHFFFAOYSA-N 0 0 432.733 9.896 40 30 IKEBRN CCOc1ccc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccccc2)cc1 ZINC000104223525 557322426 /nfs/dbraw/zinc/32/24/26/557322426.db2.gz QVOXQTGXYCYTMD-BGABXYSRSA-N 0 0 436.519 6.088 40 30 IKEBRN COC(=O)[C@H](CP(C)(C)=O)C(/N=C(/C)C(F)(F)F)(c1ccccc1)c1ccccc1 ZINC000104230420 557322831 /nfs/dbraw/zinc/32/28/31/557322831.db2.gz AXKGADSQHBNSTG-HPUZFYODSA-N 0 0 439.414 5.365 40 30 IKEBRN C(=N\N1CN(/N=C\c2ccccc2)[C@@H](c2ccccc2)[C@H]1c1ccccc1)\c1ccccc1 ZINC000104231625 557323033 /nfs/dbraw/zinc/32/30/33/557323033.db2.gz UCGXOCDSFKLAHV-RPGXYNDOSA-N 0 0 430.555 6.112 40 30 IKEBRN CCCCCCCCCCC(=O)N([C@@H]1C[C@H](C)CC(C)(C)C1)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000104359685 557325703 /nfs/dbraw/zinc/32/57/03/557325703.db2.gz DQHFFAOTHZXUGF-FATVKVNYSA-N 0 0 433.765 8.775 40 30 IKEBRN CCCCCCCCCCCCCCCCCCNC(=S)N/N=C\c1ccncc1 ZINC000104387817 557326042 /nfs/dbraw/zinc/32/60/42/557326042.db2.gz ORSYGWXOXOGXLP-NFFVHWSESA-N 0 0 432.722 7.141 40 30 IKEBRN CCCCCCCCCCCCNC(=S)N/N=C\c1cc(Br)ccc1O ZINC000104380308 557326176 /nfs/dbraw/zinc/32/61/76/557326176.db2.gz KVWDSZNHQQQTSW-KQWNVCNZSA-N 0 0 442.467 5.874 40 30 IKEBRN CCCCCCCCCCCCCCCCOC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000105024464 557329694 /nfs/dbraw/zinc/32/96/94/557329694.db2.gz DTSVPCHGCPYSSR-UHFFFAOYSA-N 0 0 425.997 7.886 40 30 IKEBRN N#Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 ZINC000014273253 557332128 /nfs/dbraw/zinc/33/21/28/557332128.db2.gz WRXWUXXBYUJOSH-JXMROGBWSA-N 0 0 443.355 6.717 40 30 IKEBRN COc1ccc(/C=N\NC(=S)Nc2ccc(C(C)C)cc2)cc1OCc1ccccc1 ZINC000033410427 557334705 /nfs/dbraw/zinc/33/47/05/557334705.db2.gz GHQNPTVHKSJUMM-QQXSKIMKSA-N 0 0 433.577 5.718 40 30 IKEBRN Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Br)nc2c1C ZINC000013503490 557338400 /nfs/dbraw/zinc/33/84/00/557338400.db2.gz GSSRVPCUZIKKDB-UHFFFAOYSA-N 0 0 426.339 5.217 40 30 IKEBRN COc1ccc(C(=O)[C@@H](C)C(C#Cc2ccccc2)[C@H](C)C(=O)c2ccc(OC)cc2)cc1 ZINC000013633959 557383950 /nfs/dbraw/zinc/38/39/50/557383950.db2.gz HILOGFVLUZLEML-SFTDATJTSA-N 0 0 440.539 5.710 40 30 IKEBRN CC(C)c1ccc([C@H]2C3C(=O)C[C@@H](c4ccco4)CC3=Nc3nc(C(F)(F)F)nn32)cc1 ZINC000013816150 557394514 /nfs/dbraw/zinc/39/45/14/557394514.db2.gz OCQDUXCXSHGZPC-YWZLYKJASA-N 0 0 442.441 5.429 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=N/OCCC#N ZINC000118926996 557406904 /nfs/dbraw/zinc/40/69/04/557406904.db2.gz WIZOEYDUOXKTRB-PCAHFRBBSA-N 0 0 440.628 6.147 40 30 IKEBRN CCNC(=O)O/N=C1/C=C2CC[C@H]3[C@@H]4CC[C@@H](OC(=O)NCC)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 ZINC000118926875 557406918 /nfs/dbraw/zinc/40/69/18/557406918.db2.gz ODSCMQMBEHYDCG-MLKBZWFKSA-N 0 0 445.604 5.166 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O[C@@H]5CCCCO5)CC[C@@]43C)[C@@H]1CC/C2=N/OCCC#N ZINC000118927003 557406949 /nfs/dbraw/zinc/40/69/49/557406949.db2.gz WIZOEYDUOXKTRB-QCHZGNEASA-N 0 0 440.628 6.147 40 30 IKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000014117844 557420668 /nfs/dbraw/zinc/42/06/68/557420668.db2.gz JUPVEESRVQKQMU-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cc(C)cc(C)c1 ZINC000014126801 557421141 /nfs/dbraw/zinc/42/11/41/557421141.db2.gz VBUUBOYNKQTGTC-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C)c(C)c1 ZINC000014126881 557421217 /nfs/dbraw/zinc/42/12/17/557421217.db2.gz BPTSCUYGDMWIQC-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cc(C)ccc1C ZINC000014126799 557421235 /nfs/dbraw/zinc/42/12/35/557421235.db2.gz XVUGFTUAQFNYEI-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc(Cl)c1C ZINC000014133277 557421926 /nfs/dbraw/zinc/42/19/26/557421926.db2.gz BJWFZLOPUMYJPO-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000014133420 557422339 /nfs/dbraw/zinc/42/23/39/557422339.db2.gz NWLAXMWHPICXRV-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1C[C@H](C)CC(=O)C1[C@H]2c1cc(F)cc(F)c1 ZINC000014163694 557424697 /nfs/dbraw/zinc/42/46/97/557424697.db2.gz QKFQRHGPTLWXNP-DAOPMYJZSA-N 0 0 439.893 6.058 40 30 IKEBRN N#Cc1c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 ZINC000014269504 557428745 /nfs/dbraw/zinc/42/87/45/557428745.db2.gz GCWAUSWQGHSQFB-UHFFFAOYSA-N 0 0 447.585 5.204 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc4ccccc43)sc2C1 ZINC000014271532 557430809 /nfs/dbraw/zinc/43/08/09/557430809.db2.gz NQCHOKSMFSDTND-MRXNPFEDSA-N 0 0 447.629 6.051 40 30 IKEBRN C#CCOc1ccc([N+](=O)[O-])cc1/C=N/c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N ZINC000014408465 557444072 /nfs/dbraw/zinc/44/40/72/557444072.db2.gz SFWJYQJPSVESLA-RDRPBHBLSA-N 0 0 447.450 6.156 40 30 IKEBRN C=CCn1cc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21 ZINC000014408481 557444114 /nfs/dbraw/zinc/44/41/14/557444114.db2.gz YJEMJLLAJJRMQL-ZCTHSVRISA-N 0 0 427.507 7.377 40 30 IKEBRN O=C1CCCC2=C1[C@H](c1ccc(I)cc1)Sc1ccccc1N2 ZINC000014671922 557449241 /nfs/dbraw/zinc/44/92/41/557449241.db2.gz WFVHRLNFESBVIK-IBGZPJMESA-N 0 0 433.314 5.557 40 30 IKEBRN CCCCCCCCc1ccc(-c2ccc(C(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)cc2)cc1 ZINC000097961220 557453396 /nfs/dbraw/zinc/45/33/96/557453396.db2.gz DUORJTVBVQJQNS-DQWNXYKBSA-N 0 0 448.691 8.874 40 30 IKEBRN O=[N+]([O-])c1cc(Br)ccc1-c1ccc(C=NN=c2[nH]c3ccccc3s2)o1 ZINC000015223456 557460542 /nfs/dbraw/zinc/46/05/42/557460542.db2.gz CKYKJNHZXUQIOE-JMIUGGIZSA-N 0 0 443.282 5.673 40 30 IKEBRN Cc1cc(/C=N/NC(=S)Nc2ccccc2)c(C)n1-c1cccc(Br)c1 ZINC000028217539 557464872 /nfs/dbraw/zinc/46/48/72/557464872.db2.gz KSARFGNNMBAGKQ-LPYMAVHISA-N 0 0 427.371 5.177 40 30 IKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@H](c3ccccc3)C1)[C@H]2c1ccccc1 ZINC000015973379 557468407 /nfs/dbraw/zinc/46/84/07/557468407.db2.gz SVTAXIKJBLEKHE-HYBUGGRVSA-N 0 0 433.511 5.124 40 30 IKEBRN O=c1c2c([nH]n1-c1ccccc1)NC1=C(C(=O)C[C@@H](c3ccccc3)C1)[C@@H]2c1ccccc1 ZINC000015973381 557468445 /nfs/dbraw/zinc/46/84/45/557468445.db2.gz SVTAXIKJBLEKHE-RDPSFJRHSA-N 0 0 433.511 5.124 40 30 IKEBRN Cc1[nH]nc2c1C1=C(C(=O)[C@H](C(C)(C)C)C[C@@H]1C(C)(C)C)[C@@H](c1ccc(N(C)C)cc1)N2 ZINC000016265958 557471379 /nfs/dbraw/zinc/47/13/79/557471379.db2.gz JVUXTMQBVQQAIR-YCRNBWNJSA-N 0 0 434.628 6.002 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)S/C1=N\c1ccccc1 ZINC000223484930 557477809 /nfs/dbraw/zinc/47/78/09/557477809.db2.gz JQIGWLKZZUCQEL-KKOPTWAASA-N 0 0 445.632 6.721 40 30 IKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)S2)c1 ZINC000223484039 557477865 /nfs/dbraw/zinc/47/78/65/557477865.db2.gz ZMODHEVPSOEBHE-UCQKPKSFSA-N 0 0 431.605 6.297 40 30 IKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)S2)cc1 ZINC000223485515 557478094 /nfs/dbraw/zinc/47/80/94/557478094.db2.gz NJMYWFUYZRBUOO-IWIPYMOSSA-N 0 0 445.632 6.551 40 30 IKEBRN Cc1ccc(Oc2ccc(/N=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C=C4C)cc2)cc1 ZINC000223516739 557481323 /nfs/dbraw/zinc/48/13/23/557481323.db2.gz NLHNRRKDLYCQPT-ZCTHSVRISA-N 0 0 438.615 8.257 40 30 IKEBRN Cc1nn2c(c1-c1ccc(Cl)cc1)N=C1CCCC(=O)C1[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000017099229 557482201 /nfs/dbraw/zinc/48/22/01/557482201.db2.gz CPVPTGYDVVTIBS-JOCHJYFZSA-N 0 0 434.883 5.442 40 30 IKEBRN CC[C@H](C)c1ccc2oc(-c3ccc(/N=C/c4cc(Cl)cc(OC)c4O)cc3)nc2c1 ZINC000017099283 557482605 /nfs/dbraw/zinc/48/26/05/557482605.db2.gz KVKIVHCJEDZULX-FYDYWCEBSA-N 0 0 434.923 7.127 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)S/C1=N/c1ccccc1 ZINC000223534212 557482925 /nfs/dbraw/zinc/48/29/25/557482925.db2.gz ZOUPOVGIRFKBMS-LPJLAFHTSA-N 0 0 433.621 6.423 40 30 IKEBRN COc1ccc([C@@H]2C3C(=O)C[C@@H](c4ccc(C)cc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000017099614 557483197 /nfs/dbraw/zinc/48/31/97/557483197.db2.gz ITRPBVPFKBZSGH-CCLHPLFOSA-N 0 0 435.527 5.769 40 30 IKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)c1 ZINC000223552926 557485206 /nfs/dbraw/zinc/48/52/06/557485206.db2.gz WIHNYTHXMXKKEG-PVFDWLMNSA-N 0 0 433.621 6.387 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@H](C)CC(C)(C)N4C(C)C)S2)cc1 ZINC000223552836 557485231 /nfs/dbraw/zinc/48/52/31/557485231.db2.gz KOYKSSYXDDQXPG-NLKUQUHMSA-N 0 0 433.621 6.387 40 30 IKEBRN CC(C)N1c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc2[C@@H](C)CC1(C)C ZINC000223553606 557485232 /nfs/dbraw/zinc/48/52/32/557485232.db2.gz MIPLGGRKFNGHID-LNDJBHNWSA-N 0 0 433.621 6.421 40 30 IKEBRN CCN1c2cc(C)c(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2[C@@H](C)CC1(C)C ZINC000223572400 557487766 /nfs/dbraw/zinc/48/77/66/557487766.db2.gz BRPFAJXIVMIAOT-LUILSVGHSA-N 0 0 425.489 5.370 40 30 IKEBRN CCN1c2cc(C)c(/C=C3\S/C(=N\c4ccc(C)cc4)NC3=O)cc2[C@@H](C)CC1(C)C ZINC000223578931 557488205 /nfs/dbraw/zinc/48/82/05/557488205.db2.gz BWCDNDUKFMYREE-PVFDWLMNSA-N 0 0 433.621 6.307 40 30 IKEBRN O=C1C[C@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@H](c3c[nH]c4ccccc43)C12 ZINC000017100481 557489121 /nfs/dbraw/zinc/48/91/21/557489121.db2.gz SSJIPWRKLLMHBW-SGANQWHYSA-N 0 0 436.540 5.995 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@]3(C)CCC[C@H]3[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@@H]23)cc1 ZINC000118929878 557493816 /nfs/dbraw/zinc/49/38/16/557493816.db2.gz VBLKGSKRRMCRKY-SDCMWZCSSA-N 0 0 444.637 5.681 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1Cl)C2=O ZINC000118925726 557494631 /nfs/dbraw/zinc/49/46/31/557494631.db2.gz FYAPPFWDCSJLLT-OTDSSJSPSA-N 0 0 445.430 6.880 40 30 IKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=N/O)/C(=N\O)C[C@]4(C)[C@H]3CC[C@]12C ZINC000118924540 557494638 /nfs/dbraw/zinc/49/46/38/557494638.db2.gz HVEXIRSOIACQFA-OKEIMNDESA-N 0 0 430.677 7.378 40 30 IKEBRN O=C1C[C@@H](c2ccc(F)cc2)CC2=Nc3nc4ccccc4n3[C@@H](c3c[nH]c4ccccc43)C12 ZINC000019647227 557505338 /nfs/dbraw/zinc/50/53/38/557505338.db2.gz XICDTYAETWKQBQ-SOKVYYICSA-N 0 0 448.501 6.072 40 30 IKEBRN Cc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1C(=O)C[C@H](c3ccccc3)CC1=N2 ZINC000019647409 557505413 /nfs/dbraw/zinc/50/54/13/557505413.db2.gz IKLBZVHMXYKIIN-JIPXPUAJSA-N 0 0 448.526 5.795 40 30 IKEBRN Cc1cc(NN=C2c3cc(C(C)C)ccc3N(C3CSC3)C2=O)ccc1Br ZINC000223727868 557506741 /nfs/dbraw/zinc/50/67/41/557506741.db2.gz WOIZZLPUOZMPDQ-GFMRDNFCSA-N 0 0 444.398 5.159 40 30 IKEBRN O=C1C(=NNc2cccc(C(F)(F)F)c2)c2cc(C(F)(F)F)ccc2N1C1CSC1 ZINC000223744892 557508090 /nfs/dbraw/zinc/50/80/90/557508090.db2.gz ZEPNBWMXHRRPGV-YUMHPJSZSA-N 0 0 445.388 5.002 40 30 IKEBRN COc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000020228642 557518196 /nfs/dbraw/zinc/51/81/96/557518196.db2.gz MAFIBKQOCLKYDH-YDZHTSKRSA-N 0 0 434.477 5.238 40 30 IKEBRN Cc1nc2ccc(N=NC(C(=O)Nc3c(C)cccc3C)C(=O)c3ccccc3)cc2s1 ZINC000002679676 557521804 /nfs/dbraw/zinc/52/18/04/557521804.db2.gz FCKZFSCPMDBEKX-BYNJWEBRSA-N 0 0 442.544 5.511 40 30 IKEBRN CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccc(OC)cc4)cc3)cc2C(C)=CC1(C)C ZINC000198161193 557529535 /nfs/dbraw/zinc/52/95/35/557529535.db2.gz ZDVFQWTXFFNBLY-NDZAJKAJSA-N 0 0 440.587 7.568 40 30 IKEBRN CCN1c2cc(C)c(/C=N/c3ccc(Oc4ccccc4OC)cc3)cc2[C@@H](C)CC1(C)C ZINC000198101723 557529598 /nfs/dbraw/zinc/52/95/98/557529598.db2.gz PIYSNZQQXXPQPC-DDBXXPGKSA-N 0 0 442.603 7.659 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000027907136 557594838 /nfs/dbraw/zinc/59/48/38/557594838.db2.gz ATWWVDSXJWUADB-SMSCYPBYSA-N 0 0 446.326 5.290 40 30 IKEBRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C#N)c1 ZINC000225767211 557774747 /nfs/dbraw/zinc/77/47/47/557774747.db2.gz XJAKJDFIKTVODH-UHFFFAOYSA-N 0 0 431.363 6.494 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1F ZINC000033446515 557807744 /nfs/dbraw/zinc/80/77/44/557807744.db2.gz KQWAQSIIYFHTFD-UHFFFAOYSA-N 0 0 437.327 5.308 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cc2cccc(OC)c2o1 ZINC000033601902 557808613 /nfs/dbraw/zinc/80/86/13/557808613.db2.gz QBQHFJHYHCAGJC-UHFFFAOYSA-N 0 0 448.548 5.234 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccc(CC)cc3)NC2=O)cc(Br)c1O ZINC000033795447 557809952 /nfs/dbraw/zinc/80/99/52/557809952.db2.gz IZLHGUSAPDPEFD-BOPFTXTBSA-N 0 0 447.354 5.007 40 30 IKEBRN COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1C#N ZINC000033918905 557810157 /nfs/dbraw/zinc/81/01/57/557810157.db2.gz AYNZBADDFOWZNC-OEAKJJBVSA-N 0 0 442.496 5.387 40 30 IKEBRN O=C1/C(=C/c2cccc(Br)c2)S/C(=N\c2ccccc2)N1c1ccccc1 ZINC000033894286 557810162 /nfs/dbraw/zinc/81/01/62/557810162.db2.gz CLYDAFHGZPCBHM-WELATPIXSA-N 0 0 435.346 6.258 40 30 IKEBRN CCOC(=O)c1ccc(/N=C/c2c(C)n(-c3ccccc3)c(C)c2Br)cc1 ZINC000059104907 557814534 /nfs/dbraw/zinc/81/45/34/557814534.db2.gz FKGIMOLVNRTIOQ-ZVHZXABRSA-N 0 0 425.326 5.784 40 30 IKEBRN C/N=C1/S/C(=C\c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C(=O)N1C ZINC000059104978 557814578 /nfs/dbraw/zinc/81/45/78/557814578.db2.gz SCAJNEYVTVEYFR-ZEGLZJJTSA-N 0 0 430.360 5.528 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=C3\S/C(=N\c4ccc(Cl)cc4)NC3=O)o2)cc1 ZINC000059137837 557816069 /nfs/dbraw/zinc/81/60/69/557816069.db2.gz XSUMUNULFYOXAM-PDGQHHTCSA-N 0 0 426.950 6.284 40 30 IKEBRN CC(C)(C)c1ccc(C(=O)Oc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1 ZINC000059194455 557818288 /nfs/dbraw/zinc/81/82/88/557818288.db2.gz AYDOEDYCJWLNIF-WGOQTCKBSA-N 0 0 429.545 6.259 40 30 IKEBRN Clc1ccc(COc2ccc(C=NNc3nc4ccccc4s3)cc2)cc1Cl ZINC000059194507 557818296 /nfs/dbraw/zinc/81/82/96/557818296.db2.gz RFVDXASQPCUYEK-WYMPLXKRSA-N 0 0 428.344 6.628 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1\S/C(=N/c2cc(Cl)ccc2C)NC1=O ZINC000059224374 557818772 /nfs/dbraw/zinc/81/87/72/557818772.db2.gz OXGWWZZNBRYUJT-HMAPJEAMSA-N 0 0 432.932 5.705 40 30 IKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)S2)cc1C ZINC000059223967 557818786 /nfs/dbraw/zinc/81/87/86/557818786.db2.gz MXYXEWVGECKTOW-WOJGMQOQSA-N 0 0 430.371 5.024 40 30 IKEBRN Brc1cc(/C=N/N(c2ccccc2)c2ccccc2)oc1N1CCOCC1 ZINC000059249275 557819168 /nfs/dbraw/zinc/81/91/68/557819168.db2.gz YKBTXLFTVFYNRL-XQNSMLJCSA-N 0 0 426.314 5.051 40 30 IKEBRN Cc1ccc(Cn2cc(/C=C3/S/C(=N\c4ccc(F)cc4)NC3=O)c3ccccc32)cc1 ZINC000059106024 557820299 /nfs/dbraw/zinc/82/02/99/557820299.db2.gz DAPSSRKXLQFYLG-ZVHZXABRSA-N 0 0 441.531 6.029 40 30 IKEBRN C=CCOc1cccc(/C=C2\C(=O)N(c3ccc(Cl)c(Cl)c3)C(C)=C2C(=O)OC)c1 ZINC000059435733 557820608 /nfs/dbraw/zinc/82/06/08/557820608.db2.gz MHJNUYSOGUKYMU-PDGQHHTCSA-N 0 0 444.314 5.435 40 30 IKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)S1 ZINC000059459389 557821143 /nfs/dbraw/zinc/82/11/43/557821143.db2.gz KZVSWPWFQDAGBP-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2sc(/N=C/c3ccccc3O)nc2-c2ccc(Cl)cc2)cc1 ZINC000059463737 557821733 /nfs/dbraw/zinc/82/17/33/557821733.db2.gz WJLKLGMXNAGEFQ-ZMOGYAJESA-N 0 0 435.892 6.495 40 30 IKEBRN COc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)s2)cc1 ZINC000059464320 557821739 /nfs/dbraw/zinc/82/17/39/557821739.db2.gz QWKZEJALTPAVPC-WGOQTCKBSA-N 0 0 430.529 6.254 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccc(C(C)C)cc3)sc2-c2ccc(OC)cc2)cc1 ZINC000059464292 557821791 /nfs/dbraw/zinc/82/17/91/557821791.db2.gz HKGTZAKFICCMGX-OGLMXYFKSA-N 0 0 442.584 7.368 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463772 557821810 /nfs/dbraw/zinc/82/18/10/557821810.db2.gz MOPOXXVIEYLWFN-VULFUBBASA-N 0 0 447.947 7.406 40 30 IKEBRN COc1ccccc1/C=N/c1nc(-c2ccc(C)cc2C)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000059463789 557821813 /nfs/dbraw/zinc/82/18/13/557821813.db2.gz YCXPBYRNJPWEMD-CVKSISIWSA-N 0 0 443.528 6.761 40 30 IKEBRN Clc1ccc(COc2ccc3ccccc3c2C=NN=c2[nH]c3ccccc3[nH]2)cc1 ZINC000059417076 557822737 /nfs/dbraw/zinc/82/27/37/557822737.db2.gz FWTDAAQQISERSB-JFLMPSFJSA-N 0 0 426.907 6.395 40 30 IKEBRN CC(N=Nc1nc(Nc2ccccc2)nc(N2CCCC2)n1)c1ccc2c3c(cccc31)CC2 ZINC000059417934 557822974 /nfs/dbraw/zinc/82/29/74/557822974.db2.gz KSJFVMYBVPBSEX-KCSSXMTESA-N 0 0 449.562 5.303 40 30 IKEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1cccc(OCc2ccc(F)cc2)c1 ZINC000059418050 557823203 /nfs/dbraw/zinc/82/32/03/557823203.db2.gz UVWMSPDMHUHSAG-FYJGNVAPSA-N 0 0 438.911 5.950 40 30 IKEBRN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\S/C(=N/c3cc(C)cc(C)c3)NC2=O)o1 ZINC000059426836 557823641 /nfs/dbraw/zinc/82/36/41/557823641.db2.gz SMHWPACAFLPRGV-MTJSOVHGSA-N 0 0 449.488 5.372 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3C)c2C)cc1 ZINC000059427362 557823653 /nfs/dbraw/zinc/82/36/53/557823653.db2.gz BYANYBPPPNWMFG-AFUMVMLFSA-N 0 0 439.353 6.092 40 30 IKEBRN O=C(CSc1nc2ccc(/N=C/c3ccc(Cl)cc3)cc2s1)NC[C@@H]1CCCO1 ZINC000059474855 557824401 /nfs/dbraw/zinc/82/44/01/557824401.db2.gz SQCPJPTXVSHIRB-HPMPDSITSA-N 0 0 445.997 5.088 40 30 IKEBRN CCOc1ccc(/C=N/c2c(-c3ccccc3)c(-c3ccccc3)nn2-c2ccccc2)cc1 ZINC000059474870 557824451 /nfs/dbraw/zinc/82/44/51/557824451.db2.gz RFEGRZVNCXNHHS-DFKUXCBWSA-N 0 0 443.550 7.356 40 30 IKEBRN COC(=O)c1ccc(CN=Nc2nc(-c3ccc(C)cc3C)c(-c3ccccc3)s2)cc1 ZINC000059474896 557824454 /nfs/dbraw/zinc/82/44/54/557824454.db2.gz WPTJLLVYNJJUJE-JVWAILMASA-N 0 0 441.556 6.327 40 30 IKEBRN Brc1cccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 ZINC000059475119 557824525 /nfs/dbraw/zinc/82/45/25/557824525.db2.gz NCHYDCPYSWPSDK-BUVRLJJBSA-N 0 0 434.362 6.686 40 30 IKEBRN Brc1ccc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 ZINC000059475120 557824690 /nfs/dbraw/zinc/82/46/90/557824690.db2.gz TZBDVGWBKXTROT-BUVRLJJBSA-N 0 0 434.362 6.686 40 30 IKEBRN Oc1ccc2ccccc2c1/C=N/c1ccc(OCC(F)(F)C(F)F)c(C(F)(F)F)c1 ZINC000059475476 557824905 /nfs/dbraw/zinc/82/49/05/557824905.db2.gz FVYFRDUXBIQJLP-VYVUJPJFSA-N 0 0 445.334 6.594 40 30 IKEBRN CCOc1cc(CN=Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)ccc1OC ZINC000059484231 557825036 /nfs/dbraw/zinc/82/50/36/557825036.db2.gz WOQJLKKMDFBNIB-YZSQISJMSA-N 0 0 429.545 6.330 40 30 IKEBRN CCOc1cc(/C=C2\C(=O)ON=C2c2ccc(Cl)cc2)ccc1OCc1ccccc1 ZINC000059483069 557825039 /nfs/dbraw/zinc/82/50/39/557825039.db2.gz VVHIDAWIFBDMNN-STZFKDTASA-N 0 0 433.891 5.662 40 30 IKEBRN COC(=O)c1ccc(CN=Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 ZINC000059484287 557825263 /nfs/dbraw/zinc/82/52/63/557825263.db2.gz REPTXINEIGFGOI-WGOQTCKBSA-N 0 0 427.529 6.018 40 30 IKEBRN COc1ccccc1CN=Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1 ZINC000059484268 557825324 /nfs/dbraw/zinc/82/53/24/557825324.db2.gz UWGZJRZJIVJYQM-BUVRLJJBSA-N 0 0 430.489 5.840 40 30 IKEBRN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000059484855 557825508 /nfs/dbraw/zinc/82/55/08/557825508.db2.gz LYFALZGRIMQGOA-YWROOUKNSA-N 0 0 429.501 5.268 40 30 IKEBRN CC(C)CN(CC(C)C)S(=O)(=O)c1cc(/N=C/c2ccco2)ccc1N1CCCCC1 ZINC000059489815 557826049 /nfs/dbraw/zinc/82/60/49/557826049.db2.gz BKDBNSAWNLHHRX-PCLIKHOPSA-N 0 0 445.629 5.323 40 30 IKEBRN COc1cc(/C=N/Cc2ccco2)ccc1OC(=O)c1sc2ccccc2c1Cl ZINC000059500691 557826485 /nfs/dbraw/zinc/82/64/85/557826485.db2.gz XJXOFHMCHSKWMC-WYMPLXKRSA-N 0 0 425.893 5.995 40 30 IKEBRN O=C(Oc1ccccc1/C=N/c1ccc2ccccc2c1)c1sc2ccccc2c1Cl ZINC000059500723 557826492 /nfs/dbraw/zinc/82/64/92/557826492.db2.gz OVFHRQYMOSYSFX-LQKURTRISA-N 0 0 441.939 7.678 40 30 IKEBRN O=[N+]([O-])c1ccc(Oc2cccc(C=NNc3nc4ccccc4s3)c2)c([N+](=O)[O-])c1 ZINC000059514294 557826833 /nfs/dbraw/zinc/82/68/33/557826833.db2.gz HDCJWEHABPPKOL-CIAFOILYSA-N 0 0 435.421 5.351 40 30 IKEBRN COc1cc(C=NNc2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000059536009 557827436 /nfs/dbraw/zinc/82/74/36/557827436.db2.gz WMKTUGZCYWDVQW-ZMOGYAJESA-N 0 0 445.744 6.136 40 30 IKEBRN CCNC(=S)N/N=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 ZINC000059536020 557827463 /nfs/dbraw/zinc/82/74/63/557827463.db2.gz SRNNKAZBUFTTSC-NUGSKGIGSA-N 0 0 446.787 5.052 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000059959491 557828137 /nfs/dbraw/zinc/82/81/37/557828137.db2.gz MGVKBQZTXZRMGX-MSIOFZDNSA-N 0 0 448.910 5.015 40 30 IKEBRN CC(=O)O[C@]12C[C@@H]3CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]4[C@@]3(C)C[C@H]1O2 ZINC000064573567 557832582 /nfs/dbraw/zinc/83/25/82/557832582.db2.gz WJIXKJVODIQPNM-FMSSLCCRSA-N 0 0 444.700 7.376 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cc1 ZINC000123393208 557837563 /nfs/dbraw/zinc/83/75/63/557837563.db2.gz BKOGUJNRCSWUNA-JIGJNNBISA-N 0 0 446.653 5.473 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N/c1ccc(C)c(C)c1 ZINC000096609974 557838531 /nfs/dbraw/zinc/83/85/31/557838531.db2.gz LTLKXHYORSIHQV-JMCHZZBBSA-N 0 0 442.584 6.506 40 30 IKEBRN O=C1/C(=C\c2ccc([N+](=O)[O-])cc2)S/C(=N\c2ccccc2)N1CCc1ccccc1 ZINC000098038602 557839477 /nfs/dbraw/zinc/83/94/77/557839477.db2.gz RJKXINZOVBYZOZ-AIQBXGKYSA-N 0 0 429.501 5.442 40 30 IKEBRN C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(O)c2c1O[C@H](c1ccc(O)cc1OC)CC2=O ZINC000014711612 563014787 /nfs/dbraw/zinc/01/47/87/563014787.db2.gz YLTPWCZXKJSORQ-GYCJOSAFSA-N 0 0 438.520 5.610 40 30 biogenic,in-vivo IKEBRN CC(C)Cc1ccc(CN2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)s1 ZINC000585294051 568632719 /nfs/dbraw/zinc/63/27/19/568632719.db2.gz DITPBXTWNOTEAK-OAQYLSRUSA-N 0 0 437.638 6.141 40 30 IKEBRN Cn1cc(CN2CCCC[C@@H]2c2csc(Nc3cc(C#N)ccn3)n2)c2ccccc21 ZINC000585295147 568632925 /nfs/dbraw/zinc/63/29/25/568632925.db2.gz NCSGTYHJDUWFQK-JOCHJYFZSA-N 0 0 428.565 5.372 40 30 IKEBRN COc1ccc2nc(SCC(=O)Nc3ccccc3-c3ccccc3)c(C#N)cc2c1 ZINC000000917556 568636449 /nfs/dbraw/zinc/63/64/49/568636449.db2.gz ZBGUOCXVCDTYLN-UHFFFAOYSA-N 0 0 425.513 5.513 40 30 IKEBRN N#Cc1ccc(-c2ccc(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)o2)cc1 ZINC000001098631 568658234 /nfs/dbraw/zinc/65/82/34/568658234.db2.gz NAUKMNVUBKJARB-VXLYETTFSA-N 0 0 438.270 5.218 40 30 IKEBRN C#CCOc1ccc(Br)cc1CNc1ccc(Br)c(Cl)c1 ZINC000218007057 568737969 /nfs/dbraw/zinc/73/79/69/568737969.db2.gz GRPVRZKCYGSFNC-UHFFFAOYSA-N 0 0 429.539 5.489 40 30 IKEBRN CCOc1ccc(OCC)c(NC(=O)CSc2nc3cc(C)c(C)cc3cc2C#N)c1 ZINC000001354508 568780589 /nfs/dbraw/zinc/78/05/89/568780589.db2.gz DCWHGOZSOLHZLF-UHFFFAOYSA-N 0 0 435.549 5.252 40 30 IKEBRN Cc1ccc(/N=C(\c2ccccc2)N(C(=O)c2ccc(Cl)cc2)c2ccc(C)cc2)cc1 ZINC000101547979 568791788 /nfs/dbraw/zinc/79/17/88/568791788.db2.gz QVRBNDDIVGVFLV-KDJFERLWSA-N 0 0 438.958 7.382 40 30 IKEBRN CCOC(=O)c1c2ccc(/C=N/CCc3ccc(O)cc3)c(Cl)c2sc1NC(C)=O ZINC000009943212 568794465 /nfs/dbraw/zinc/79/44/65/568794465.db2.gz ZPQOBGWASMVGFS-WYMPLXKRSA-N 0 0 444.940 5.057 40 30 IKEBRN CCCCCCCCCCCCC/C=C\[C@@H](O)[C@H](CO)NC(=O)CCCCCCC ZINC000098209415 568794962 /nfs/dbraw/zinc/79/49/62/568794962.db2.gz APDLCSPGWPLYEQ-MMGYXDHVSA-N 0 0 425.698 6.442 40 30 in-vitro IKEBRN C=CCSc1nnc2c(n1)O[C@H](c1c(OCC)ccc3ccccc31)Nc1ccccc1-2 ZINC000015015566 568827893 /nfs/dbraw/zinc/82/78/93/568827893.db2.gz GRTXLOYKXHOCPH-HSZRJFAPSA-N 0 0 442.544 5.872 40 30 IKEBRN C=CCSc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2s1 ZINC000016322408 568829681 /nfs/dbraw/zinc/82/96/81/568829681.db2.gz WEOYDFUXPBNYNA-NSHDSACASA-N 0 0 439.389 6.287 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(O)c1OCc1ccccc1C#N ZINC000016575397 568829915 /nfs/dbraw/zinc/82/99/15/568829915.db2.gz NYJKCFGSOXJJNK-CIAFOILYSA-N 0 0 434.517 5.016 40 30 IKEBRN C=CCc1cc(C(=C\C)/C(=C/C)c2ccc(OC(C)=O)c(CC=C)c2)ccc1OC(C)=O ZINC000016990097 568830381 /nfs/dbraw/zinc/83/03/81/568830381.db2.gz JYHPJEHAFFAGBR-ZZULHHKVSA-N 0 0 430.544 6.501 40 30 IKEBRN CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)c(C#N)cc2c1 ZINC000006134246 568844818 /nfs/dbraw/zinc/84/48/18/568844818.db2.gz CXJLRKKICRXAEI-UHFFFAOYSA-N 0 0 432.332 5.543 40 30 IKEBRN COc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)c3ccccc3)c2C#N)cc1 ZINC000006157141 568847224 /nfs/dbraw/zinc/84/72/24/568847224.db2.gz LVBZHRPXDVMHNQ-UHFFFAOYSA-N 0 0 436.536 6.271 40 30 IKEBRN C[C@@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N)C(=O)Nc1ccccc1 ZINC000006177441 568850859 /nfs/dbraw/zinc/85/08/59/568850859.db2.gz SIJURMDYNFEJMW-LJQANCHMSA-N 0 0 435.552 6.407 40 30 IKEBRN C=CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccc(C)cc2C)S1(=O)=O ZINC000020063586 568855481 /nfs/dbraw/zinc/85/54/81/568855481.db2.gz ANRCNMQLEHUAEV-UHFFFAOYSA-N 0 0 444.556 5.037 40 30 IKEBRN CSc1ccc(CN=Nc2ccc(C(=O)c3c(C)cc4ccccn43)cc2[N+](=O)[O-])cc1 ZINC000015910687 568858496 /nfs/dbraw/zinc/85/84/96/568858496.db2.gz AQLISBBRSONJCX-MFKUBSTISA-N 0 0 444.516 5.555 40 30 IKEBRN C=CCOC(=O)c1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 ZINC000216832230 568861646 /nfs/dbraw/zinc/86/16/46/568861646.db2.gz WROUVWFWTGMWNW-UHFFFAOYSA-N 0 0 425.706 5.423 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)c([N+](=O)[O-])c2)SC1=S ZINC000032124826 568866045 /nfs/dbraw/zinc/86/60/45/568866045.db2.gz ZUWGSKDCZKGVIR-LDADJPATSA-N 0 0 428.560 5.442 40 30 IKEBRN C=CCNC(=S)c1c(-c2ccccc2)c2c3n(c(COc4ccccc4)nn13)CCCC2 ZINC000026442080 568877569 /nfs/dbraw/zinc/87/75/69/568877569.db2.gz YTBBPGBVUZIDMV-UHFFFAOYSA-N 0 0 442.588 5.169 40 30 IKEBRN Cc1ccc(-c2cc(-c3ccccc3)nc(SCC(=O)NC3CCCCC3)c2C#N)cc1 ZINC000006246471 568880874 /nfs/dbraw/zinc/88/08/74/568880874.db2.gz ZRLHJTKLXUUNNG-UHFFFAOYSA-N 0 0 441.600 6.137 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCCCOc3cccc(C)c3)cc2)SC1=S ZINC000026580588 568886070 /nfs/dbraw/zinc/88/60/70/568886070.db2.gz DDODSLLZVIGQSE-PGMHBOJBSA-N 0 0 425.575 5.230 40 30 IKEBRN N#Cc1ccc(SCCCCCCSc2ccc(C#N)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000016384394 568886343 /nfs/dbraw/zinc/88/63/43/568886343.db2.gz MPAWXQDOTJUKMO-UHFFFAOYSA-N 0 0 442.522 5.691 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2[nH]1 ZINC000102895957 568890054 /nfs/dbraw/zinc/89/00/54/568890054.db2.gz IHKGKJQHIIWIAQ-UHFFFAOYSA-N 0 0 436.171 5.758 40 30 IKEBRN FC(F)(F)c1ccc(N2CCOCC2)c(/N=C/c2c3ccccc3cc3ccccc32)c1 ZINC000102939097 568890787 /nfs/dbraw/zinc/89/07/87/568890787.db2.gz PHVFCCJVZAZPHX-OCSSWDANSA-N 0 0 434.461 6.599 40 30 IKEBRN C=CCn1c(-c2cc(C)n(-c3ccccc3)c2C)cs/c1=N\c1cc(OC)cc(OC)c1 ZINC000102939518 568890815 /nfs/dbraw/zinc/89/08/15/568890815.db2.gz KEZGQDCUUJJHON-RQZHXJHFSA-N 0 0 445.588 6.060 40 30 IKEBRN COc1ccc(N2C(=O)C(O)=C(C(=O)c3cccs3)[C@H]2c2ccccc2)cc1Cl ZINC000027061667 568894902 /nfs/dbraw/zinc/89/49/02/568894902.db2.gz SWYHTUQMKGRDNF-LJQANCHMSA-N 0 0 425.893 5.193 40 30 IKEBRN O=C(Oc1ccc(/C=N/c2ccccc2Cl)c(OC(=O)c2ccco2)c1)c1ccco1 ZINC000102946683 568900382 /nfs/dbraw/zinc/90/03/82/568900382.db2.gz HNUJTVKVVMFJES-AFUMVMLFSA-N 0 0 435.819 5.715 40 30 IKEBRN CC(C)(C)c1ccc(C(=O)/N=C2/N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 ZINC000102947679 568900453 /nfs/dbraw/zinc/90/04/53/568900453.db2.gz QEGVOFCGLKLXNS-HPNDGRJYSA-N 0 0 448.364 5.591 40 30 IKEBRN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CC[C@@H](C)C2 ZINC000001782386 568906935 /nfs/dbraw/zinc/90/69/35/568906935.db2.gz CDRHUFSCBSMTOQ-OMDQHUAHSA-N 0 0 445.382 5.558 40 30 IKEBRN Cc1cc(OCCCC(=O)Nc2sc(=S)c3c(c2C#N)CCCC3)ccc1Cl ZINC000001792339 568907805 /nfs/dbraw/zinc/90/78/05/568907805.db2.gz MYWPFKPWQPPEQP-UHFFFAOYSA-N 0 0 432.998 5.988 40 30 IKEBRN CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C#N)cc4F)c3)nc2c1 ZINC000001858601 568916675 /nfs/dbraw/zinc/91/66/75/568916675.db2.gz AGJUNGRZZKQDFV-AWEZNQCLSA-N 0 0 447.897 6.925 40 30 IKEBRN COc1cc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc(Br)c1O ZINC000031854521 568937586 /nfs/dbraw/zinc/93/75/86/568937586.db2.gz JXWCVHWRPIREDC-ZBKNUEDVSA-N 0 0 438.734 5.386 40 30 IKEBRN CCCc1cc(SCC(=O)c2ccccc2OCC)n2c3ccccc3nc2c1C#N ZINC000016740567 569160612 /nfs/dbraw/zinc/16/06/12/569160612.db2.gz KSUXDXAEGKOKND-UHFFFAOYSA-N 0 0 429.545 5.685 40 30 IKEBRN C[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2C1 ZINC000017097407 569172366 /nfs/dbraw/zinc/17/23/66/569172366.db2.gz QRRZFVTZZTZSPU-NSHDSACASA-N 0 0 431.344 6.564 40 30 IKEBRN CCCCOc1cccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000017095589 569172489 /nfs/dbraw/zinc/17/24/89/569172489.db2.gz OIMGNMCWAPIQJI-AWEZNQCLSA-N 0 0 427.595 5.050 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(c3ccccc3)c3ccccc3)sc2C1 ZINC000017096130 569172526 /nfs/dbraw/zinc/17/25/26/569172526.db2.gz KDADCVNRZKYSJN-HXUWFJFHSA-N 0 0 428.601 6.541 40 30 IKEBRN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1C ZINC000017094587 569172591 /nfs/dbraw/zinc/17/25/91/569172591.db2.gz CUMQCLRYQHMBMI-MRXNPFEDSA-N 0 0 425.623 5.514 40 30 IKEBRN CCOC(=O)c1sc(NC(=O)COc2ccc(C3CCCCC3)cc2)c(C#N)c1C ZINC000017094966 569172604 /nfs/dbraw/zinc/17/26/04/569172604.db2.gz PUHVKCDOJJLYSZ-UHFFFAOYSA-N 0 0 426.538 5.170 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C#N)C1 ZINC000017095758 569172612 /nfs/dbraw/zinc/17/26/12/569172612.db2.gz VIHRHGHBECSGQB-QMMMGPOBSA-N 0 0 428.426 5.719 40 30 IKEBRN Cc1sc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C#N)c1C ZINC000017096723 569172749 /nfs/dbraw/zinc/17/27/49/569172749.db2.gz LYGIHMSPFALFLM-UHFFFAOYSA-N 0 0 429.954 5.585 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cc4ccccc4o3)sc2C1 ZINC000017101605 569173332 /nfs/dbraw/zinc/17/33/32/569173332.db2.gz PADFLBXZWFDJNL-AWEZNQCLSA-N 0 0 437.590 5.644 40 30 IKEBRN COc1cc2ccccc2cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CC[C@H](C)C2 ZINC000017099668 569173454 /nfs/dbraw/zinc/17/34/54/569173454.db2.gz RYXYNCWWCQBGIR-ZDUSSCGKSA-N 0 0 435.574 5.033 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000017102956 569173652 /nfs/dbraw/zinc/17/36/52/569173652.db2.gz BXKDYKRYQRDGRQ-OAHLLOKOSA-N 0 0 438.980 6.936 40 30 IKEBRN C[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)sc2C1 ZINC000017097667 569173682 /nfs/dbraw/zinc/17/36/82/569173682.db2.gz SIFVSQONMQLNAV-HNNXBMFYSA-N 0 0 431.586 5.538 40 30 IKEBRN COc1c(Cl)cc(C(=O)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1Cl ZINC000017101225 569173726 /nfs/dbraw/zinc/17/37/26/569173726.db2.gz OWBIPGXQQPCSSD-GFCCVEGCSA-N 0 0 437.392 6.338 40 30 IKEBRN N#Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c(F)c1 ZINC000017099922 569173827 /nfs/dbraw/zinc/17/38/27/569173827.db2.gz ZHOMXKMJTCLKDZ-UHFFFAOYSA-N 0 0 436.240 5.520 40 30 IKEBRN Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(/N=C/c3ccc(Br)cc3)cc1)N2 ZINC000003666155 569218410 /nfs/dbraw/zinc/21/84/10/569218410.db2.gz AARNPXITCXVHCB-AOYSYPELSA-N 0 0 443.388 7.335 40 30 IKEBRN COc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000008811368 569219109 /nfs/dbraw/zinc/21/91/09/569219109.db2.gz RJRHXOYVUOXMNH-RPPGKUMJSA-N 0 0 449.765 6.358 40 30 IKEBRN COc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1cccc2ccccc21 ZINC000008811359 569219140 /nfs/dbraw/zinc/21/91/40/569219140.db2.gz ZLLMXVRHQWCUTB-LQKURTRISA-N 0 0 430.935 6.205 40 30 IKEBRN Cc1cc(/C=N/NCc2ccccc2Cl)c(C)n1-c1ccc(C)c(Br)c1 ZINC000008811619 569219150 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CCCC1CCC(=Nn2c(-c3cccc([N+](=O)[O-])c3)cs/c2=N\C2CCCCC2)CC1 ZINC000012312107 569304051 /nfs/dbraw/zinc/30/40/51/569304051.db2.gz YYLIPENMSWBHEO-HRGWNAHFSA-N 0 0 440.613 6.553 40 30 IKEBRN C=CCOc1c(Br)cc(C2Nc3cccc4cccc(c43)N2)cc1OCC ZINC000070453963 569312713 /nfs/dbraw/zinc/31/27/13/569312713.db2.gz MXYXDFITBVBUFI-UHFFFAOYSA-N 0 0 425.326 6.102 40 30 IKEBRN C[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)sc2C1 ZINC000019630966 569324198 /nfs/dbraw/zinc/32/41/98/569324198.db2.gz KHCIQSOSPRVACU-GFCCVEGCSA-N 0 0 439.993 5.678 40 30 IKEBRN CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C#N)c1 ZINC000225767276 569408388 /nfs/dbraw/zinc/40/83/88/569408388.db2.gz LJSPCLBJMSPKBD-UHFFFAOYSA-N 0 0 445.390 6.885 40 30 IKEBRN CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C#N)c1 ZINC000225780303 569408463 /nfs/dbraw/zinc/40/84/63/569408463.db2.gz UJRRVLGUYUMWEW-UHFFFAOYSA-N 0 0 433.335 5.339 40 30 IKEBRN CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C#N ZINC000225780117 569408494 /nfs/dbraw/zinc/40/84/94/569408494.db2.gz LBGANHHRDATRIY-UHFFFAOYSA-N 0 0 433.335 5.341 40 30 IKEBRN CCn1cc(/C=C2\Oc3cc(OCc4ccc(Cl)cc4)ccc3C2=O)c2ccccc21 ZINC000028182742 569408709 /nfs/dbraw/zinc/40/87/09/569408709.db2.gz MOTQDPBRQOQDMG-MXAYSNPKSA-N 0 0 429.903 6.510 40 30 IKEBRN CCn1cc(/C=C2\Oc3cc(OCc4ccccc4F)ccc3C2=O)c2cc(OC)ccc21 ZINC000028182583 569408796 /nfs/dbraw/zinc/40/87/96/569408796.db2.gz FTMMHWDWTOONII-ZRGSRPPYSA-N 0 0 443.474 6.004 40 30 IKEBRN COc1cc(C#N)cc(I)c1OCc1ccc(Cl)c(Cl)c1 ZINC000226327438 569419849 /nfs/dbraw/zinc/41/98/49/569419849.db2.gz RQIRRPAWPZJRJV-UHFFFAOYSA-N 0 0 434.060 5.057 40 30 IKEBRN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N/c1ccc(C)cc1C ZINC000003022295 569436029 /nfs/dbraw/zinc/43/60/29/569436029.db2.gz AJHJMYGDAYPFNV-ZCGWOIPMSA-N 0 0 425.579 5.306 40 30 IKEBRN Cc1cc(C)cc(-c2nc3cc(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc54)ccc3o2)c1 ZINC000003034021 569437870 /nfs/dbraw/zinc/43/78/70/569437870.db2.gz IYABGQAKGXOWQP-MZJWZYIUSA-N 0 0 437.455 6.629 40 30 IKEBRN Cc1cc(C)cc(-c2nc3cc(/N=C/c4cc5c(cc4Br)OCO5)ccc3o2)c1 ZINC000003033997 569437881 /nfs/dbraw/zinc/43/78/81/569437881.db2.gz RAOFBVWNXDINAV-OPEKNORGSA-N 0 0 449.304 6.353 40 30 IKEBRN CC(C)(C)c1ccc(-c2nc3cc(/N=C/c4cc(Br)ccc4O)ccc3o2)cc1 ZINC000003066518 569439671 /nfs/dbraw/zinc/43/96/71/569439671.db2.gz RLOBGLPEMONHQD-VULFUBBASA-N 0 0 449.348 7.011 40 30 IKEBRN O=[N+]([O-])c1cc(/C=N/c2ccc3oc(-c4cccc(F)c4)nc3c2)ccc1Br ZINC000003113105 569440361 /nfs/dbraw/zinc/44/03/61/569440361.db2.gz KOIKQIOQBKDNCX-FOKLQQMPSA-N 0 0 440.228 6.055 40 30 IKEBRN Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1/N=C/c1ccc(Br)cc1O ZINC000003208170 569441682 /nfs/dbraw/zinc/44/16/82/569441682.db2.gz KHOUUWSCWXZITL-BHGWPJFGSA-N 0 0 441.712 6.675 40 30 IKEBRN O=C1C(=O)N(c2ccc(Cl)cc2)C(c2ccccc2)=C1C(c1ccccc1)c1ccccc1 ZINC000003666168 569455966 /nfs/dbraw/zinc/45/59/66/569455966.db2.gz IBPYBMJHCVHPPL-UHFFFAOYSA-N 0 0 449.937 6.499 40 30 IKEBRN C=C(C)[C@@H]1CC[C@]2(C=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]12 ZINC000004081754 569458658 /nfs/dbraw/zinc/45/86/58/569458658.db2.gz MHAVMNJPXLZEIG-APWXFDQXSA-N 0 0 438.696 7.412 40 30 biogenic IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3cccc4ccccc43)sc2C1 ZINC000032124674 569460311 /nfs/dbraw/zinc/46/03/11/569460311.db2.gz JZSZQICPRMVZAE-KRWDZBQOSA-N 0 0 434.630 6.655 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)c3cccc(Cl)c3)sc2C1 ZINC000032124929 569460328 /nfs/dbraw/zinc/46/03/28/569460328.db2.gz VKKQVOMPPGVJSU-AWEZNQCLSA-N 0 0 430.957 5.220 40 30 IKEBRN CC(=O)Nc1ccccc1SCC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000032124933 569460350 /nfs/dbraw/zinc/46/03/50/569460350.db2.gz OLBKTIFBAKVWOS-OAHLLOKOSA-N 0 0 441.622 5.460 40 30 IKEBRN O=C(/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)C(F)(F)F)c1ccccc1 ZINC000008742120 569472931 /nfs/dbraw/zinc/47/29/31/569472931.db2.gz IPUVTSRHBBZPAT-CJLVFECKSA-N 0 0 446.428 5.937 40 30 IKEBRN C[C@@H]1C/C(=C\c2ccc(Cl)cc2Cl)C(=O)/C(=C\c2ccc(Cl)cc2Cl)C1 ZINC000245237026 569500404 /nfs/dbraw/zinc/50/04/04/569500404.db2.gz CDBOJGPJMRWNAJ-HWGZDBTHSA-N 0 0 426.170 7.766 40 30 IKEBRN C[C@@H]1C/C(=C\c2cccc(Cl)c2Cl)C(=O)/C(=C\c2cccc(Cl)c2Cl)C1 ZINC000245237818 569500442 /nfs/dbraw/zinc/50/04/42/569500442.db2.gz XTGHSTCJEVFVMM-ZYLOTTRVSA-N 0 0 426.170 7.766 40 30 IKEBRN CC(C)(C)Nc1nc(Nc2cccc(F)c2C#N)cc(-c2cccc(OC(F)(F)F)c2)n1 ZINC000329060757 569582996 /nfs/dbraw/zinc/58/29/96/569582996.db2.gz WNPSLNXTBYHDAP-UHFFFAOYSA-N 0 0 445.420 6.007 40 30 IKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)COc1ccc(Cl)c(C)c1 ZINC000072228838 569583110 /nfs/dbraw/zinc/58/31/10/569583110.db2.gz ZNIKJLUOKUEGQO-UHFFFAOYSA-N 0 0 430.961 5.700 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccc([N+](=O)[O-])cc3)sc2-c2ccccc2)c(C)c1 ZINC000059474893 569584087 /nfs/dbraw/zinc/58/40/87/569584087.db2.gz QXSBLAADXIGKRS-MFKUBSTISA-N 0 0 428.517 6.448 40 30 IKEBRN Cc1sc(N=NCc2c(OCc3ccccc3)ccc3ccccc32)nc1-c1ccccc1 ZINC000059193846 569585029 /nfs/dbraw/zinc/58/50/29/569585029.db2.gz RSAVFEKJTAULBY-RDRPBHBLSA-N 0 0 449.579 7.297 40 30 IKEBRN Cc1sc(N=NCc2ccc(OC(=O)c3cccc(C)c3)cc2)nc1-c1ccccc1 ZINC000059193866 569585088 /nfs/dbraw/zinc/58/50/88/569585088.db2.gz FGVXXUYZCIWYCQ-WGOQTCKBSA-N 0 0 427.529 6.092 40 30 IKEBRN COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1ccccc1C#N ZINC000408979243 569585109 /nfs/dbraw/zinc/58/51/09/569585109.db2.gz LRJBRCYWIOKGJL-UHFFFAOYSA-N 0 0 446.510 5.637 40 30 IKEBRN COc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1cccc(F)c1 ZINC000408979999 569585114 /nfs/dbraw/zinc/58/51/14/569585114.db2.gz PGYUINOZNZMBAU-UHFFFAOYSA-N 0 0 439.490 5.905 40 30 IKEBRN CCOc1cc(-c2c(C#N)c(N)nc3c2CCCC3)ccc1OCc1cccc2ccccc21 ZINC000408979318 569585119 /nfs/dbraw/zinc/58/51/19/569585119.db2.gz MLOXXPAVENTSIT-UHFFFAOYSA-N 0 0 449.554 6.212 40 30 IKEBRN CCOc1cc(-c2c(C#N)c(N)nc(C)c2-c2ccccc2)ccc1OCc1cccc(C)c1 ZINC000408980677 569585120 /nfs/dbraw/zinc/58/51/20/569585120.db2.gz SEYMBGXMXQVLHR-UHFFFAOYSA-N 0 0 449.554 6.464 40 30 IKEBRN COc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1ccccc1C#N ZINC000408976639 569585146 /nfs/dbraw/zinc/58/51/46/569585146.db2.gz BLSFFUUIQWVEPK-UHFFFAOYSA-N 0 0 432.483 5.329 40 30 IKEBRN Cc1nc(N)c(C#N)c(-c2ccc(OCc3cccc4ccccc43)cc2)c1-c1ccccc1 ZINC000408982415 569585179 /nfs/dbraw/zinc/58/51/79/569585179.db2.gz XVEBRTNNVFJUJA-UHFFFAOYSA-N 0 0 441.534 6.910 40 30 IKEBRN N#Cc1c(N)nc2c(c1-c1cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc13)CCCC2 ZINC000408980932 569585195 /nfs/dbraw/zinc/58/51/95/569585195.db2.gz ULMRRQKZTITRHB-UHFFFAOYSA-N 0 0 447.369 6.391 40 30 IKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2CC)S/C1=N\c1ccc2ccccc2c1 ZINC000100505614 123486895 /nfs/dbraw/zinc/48/68/95/123486895.db2.gz AFAIMFKUBBKBTB-QDJRPKQISA-N 0 0 431.586 6.224 40 30 IKEBRN CO/N=C1\C[C@H]2[C@@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1/C(C)=N\OC ZINC000118913928 291404915 /nfs/dbraw/zinc/40/49/15/291404915.db2.gz KLCZPBNZZJGNRW-MVMQCHERSA-N 0 0 432.605 5.212 40 30 biogenic,in-vitro IKEBRN Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(-c3ccccc3)c2C#N)cc1 ZINC000006245226 193894126 /nfs/dbraw/zinc/89/41/26/193894126.db2.gz CDNPMRKMPGZIGC-FQEVSTJZSA-N 0 0 449.579 6.715 40 30 IKEBRN COCc1cc(C)nc(N=NCc2cc(C)n(-c3ccc(-c4ccccc4)cc3)c2C)c1C#N ZINC000006177741 193888489 /nfs/dbraw/zinc/88/84/89/193888489.db2.gz BKULBSWPTLFSIR-OCSSWDANSA-N 0 0 449.558 5.929 40 30 IKEBRN C#CCOC(=O)c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000226327216 518295331 /nfs/dbraw/zinc/29/53/31/518295331.db2.gz REBZIGDVKRMFTL-UHFFFAOYSA-N 0 0 444.108 5.134 40 30 IKEBRN C/C(=N\c1oc(-c2ccccc2)c(-c2ccccc2)c1C#N)c1ccc(-c2ccccc2)cc1 ZINC000101560016 518474156 /nfs/dbraw/zinc/47/41/56/518474156.db2.gz KLUDQUWQXNNFHQ-STKMKYKTSA-N 0 0 438.530 8.293 40 30 IKEBRN C/C(=N\n1c(-c2cccs2)cs/c1=N\c1ccc(Cl)cc1Cl)c1ccncc1 ZINC000012694311 518474830 /nfs/dbraw/zinc/47/48/30/518474830.db2.gz WYSUYBIPESGMKU-JYPJVVHVSA-N 0 0 445.400 6.485 40 30 IKEBRN CC(CCc1oc2ccccc2c1-c1ccccc1)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000013409605 518475961 /nfs/dbraw/zinc/47/59/61/518475961.db2.gz VFVONMJXNPDQSO-PCLIKHOPSA-N 0 0 444.447 6.337 40 30 IKEBRN CC(=O)n1nc(-c2ccc(C(C)(C)C#N)cc2)c2c1cnc1ccc(Br)cc21 ZINC000095080134 518499265 /nfs/dbraw/zinc/49/92/65/518499265.db2.gz RTUILLNUVFGQRW-UHFFFAOYSA-N 0 0 433.309 5.475 40 30 IKEBRN C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000043867186 518644832 /nfs/dbraw/zinc/64/48/32/518644832.db2.gz FELCJAPFJOPHSD-PYKACDHASA-N 0 0 440.712 7.204 40 30 IKEBRN C=C1/C(=C\C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@@H](O)C2CC2)C[C@@H](O)C[C@]1(C)O ZINC000022000069 518657799 /nfs/dbraw/zinc/65/77/99/518657799.db2.gz CWFZYRNMMPHAIS-AXGCBIPSSA-N 0 0 426.641 5.481 40 30 IKEBRN C=C1CC(C(=O)N[C@H](c2ccc3ccc(-c4ccccc4)nc3c2)c2nccnc2Cl)C1 ZINC000095080578 518659669 /nfs/dbraw/zinc/65/96/69/518659669.db2.gz FINPDKQWUZMKLI-HSZRJFAPSA-N 0 0 440.934 5.517 40 30 IKEBRN C=CCCCCCCCCC(=O)ON(Cc1ccc(O)c(OC)c1)C(=O)C(F)(F)F ZINC000005941555 518699869 /nfs/dbraw/zinc/69/98/69/518699869.db2.gz GUWJDYGTQODFBK-UHFFFAOYSA-N 0 0 431.451 5.057 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2c(CC)cccc2CC)cc1)S(=O)(=O)c1ccccc1 ZINC000224373695 518807954 /nfs/dbraw/zinc/80/79/54/518807954.db2.gz KKDUBEQYAFKQDW-UHFFFAOYSA-N 0 0 448.588 5.445 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2c(-c3ccccc3)nc3sc(CC(C)C)nn23)SC1=S ZINC000041074237 518824917 /nfs/dbraw/zinc/82/49/17/518824917.db2.gz VUKCGWJSWCGQEO-VBKFSLOCSA-N 0 0 440.619 5.044 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)c(OCC)c2)SC1=S ZINC000009762122 518826611 /nfs/dbraw/zinc/82/66/11/518826611.db2.gz CQZFZPYXZWRERE-STZFKDTASA-N 0 0 425.575 5.360 40 30 IKEBRN C=CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 ZINC000226336670 518967747 /nfs/dbraw/zinc/96/77/47/518967747.db2.gz NOPRLDUZMIWKAT-FNORWQNLSA-N 0 0 427.711 5.977 40 30 IKEBRN C=CCOc1c(Br)cc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1OC ZINC000009056423 519002038 /nfs/dbraw/zinc/00/20/38/519002038.db2.gz RSUUGFSWVFDJQF-YVLHZVERSA-N 0 0 427.294 5.312 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CCCCCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CC)cc2)cc1 ZINC000068569045 520001699 /nfs/dbraw/zinc/00/16/99/520001699.db2.gz TWGHYOAJUKDFII-QVAGMWBUSA-N 0 0 449.723 9.860 40 30 IKEBRN CCCCCCCCCCCCCCOc1ccc(/C=N/c2ccc(CCC)cc2)cc1 ZINC000068569043 520004703 /nfs/dbraw/zinc/00/47/03/520004703.db2.gz CZBZGGDEZKZORW-GKPLWNPISA-N 0 0 435.696 9.470 40 30 IKEBRN CCCCCCCCCCCCCC[C@H]1OC(C)(C)O[C@H]1[C@H](O)[C@H]1COC(C)(C)O1 ZINC000072399735 520007006 /nfs/dbraw/zinc/00/70/06/520007006.db2.gz LGWUPCHVFJGQAF-SSGKUCQKSA-N 0 0 428.654 6.110 40 30 in-vitro IKEBRN CCCCCCCCCCCCNc1cc(NCCCCCCCCCCCC)ncn1 ZINC000068562417 520011931 /nfs/dbraw/zinc/01/19/31/520011931.db2.gz UQJRDRLJXLQSCC-UHFFFAOYSA-N 0 0 446.768 9.142 40 30 IKEBRN CCCCCCCCCCCCSCCSCCCCCCCCCCCC ZINC000095810884 520013100 /nfs/dbraw/zinc/01/31/00/520013100.db2.gz WXXCXXVZIQCGNZ-UHFFFAOYSA-N 0 0 430.852 10.295 40 30 IKEBRN CCCCCCOc1ccc(/C=C/C(=O)/C=C\c2ccc(OCCCCCC)cc2)cc1 ZINC000077051466 520103605 /nfs/dbraw/zinc/10/36/05/520103605.db2.gz 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CCC(C)N=Nc1nc2cc(C)c(NC(=O)c3cc(Cl)ccc3Cl)c(C)c2s1 ZINC000072228626 520184531 /nfs/dbraw/zinc/18/45/31/520184531.db2.gz CZHPWYZMAGTELT-GATIEOLUSA-N 0 0 435.380 6.670 40 30 IKEBRN CC1(C)CC(=O)C(C(c2cccc(Br)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000105443183 520252684 /nfs/dbraw/zinc/25/26/84/520252684.db2.gz DPXWNXOKFXGWIC-LJQANCHMSA-N 0 0 447.369 5.308 40 30 IKEBRN CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2cccc3c2N1C(=O)/C3=N\c1ccc(F)cc1 ZINC000012406309 520572462 /nfs/dbraw/zinc/57/24/62/520572462.db2.gz BNXHYJGYFILIDX-MIGQBWSYSA-N 0 0 432.926 6.435 40 30 IKEBRN CCOc1cc([C@@H]2Nc3c4ccccc4ccc3C3=C2C(=O)CCC3)ccc1OCCO ZINC000006089742 520777387 /nfs/dbraw/zinc/77/73/87/520777387.db2.gz HILTWPURTFZGOY-SANMLTNESA-N 0 0 429.516 5.283 40 30 IKEBRN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1 ZINC000000811243 520815634 /nfs/dbraw/zinc/81/56/34/520815634.db2.gz DAQQPSMGULWCMY-YADARESESA-N 0 0 435.951 5.653 40 30 IKEBRN CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21 ZINC000223522546 520851228 /nfs/dbraw/zinc/85/12/28/520851228.db2.gz XLELGTSTCHDUPB-XVLPZJLPSA-N 0 0 437.996 6.206 40 30 IKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N/c4ccccc4)N(C)C3=O)cc21 ZINC000223484594 520852453 /nfs/dbraw/zinc/85/24/53/520852453.db2.gz VCPNZXLBOPGKPA-GOESLVMASA-N 0 0 431.605 6.331 40 30 IKEBRN CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](F)C[C@]12C ZINC000118933261 521232494 /nfs/dbraw/zinc/23/24/94/521232494.db2.gz JEEUJGVJTLVJQM-OIELIUQCSA-N 0 0 439.365 5.082 40 30 IKEBRN CCOc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2c1 ZINC000035290819 521294563 /nfs/dbraw/zinc/29/45/63/521294563.db2.gz MQTFBRUSXDACFW-UHFFFAOYSA-N 0 0 431.439 5.255 40 30 IKEBRN CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)S/C1=N\c1ccc2ccccc2c1 ZINC000013303881 521512446 /nfs/dbraw/zinc/51/24/46/521512446.db2.gz LCILTPXBLZCMHB-QDJRPKQISA-N 0 0 447.585 5.842 40 30 IKEBRN CCN1C(=O)/C(=C2/Sc3ccccc3N2C)S/C1=N\c1ccc2sc(C)nc2c1 ZINC000013306353 521512603 /nfs/dbraw/zinc/51/26/03/521512603.db2.gz WBICKEASKIFVFD-QUOYTPRUSA-N 0 0 438.603 5.599 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)S/C1=N\c1ccccc1 ZINC000223534159 521513059 /nfs/dbraw/zinc/51/30/59/521513059.db2.gz ZOUPOVGIRFKBMS-NBGJGOCSSA-N 0 0 433.621 6.423 40 30 IKEBRN COC(=O)c1ccc(-n2c(C)cc(/C=N/NCc3c(Cl)cccc3Cl)c2C)cc1 ZINC000009196555 521931547 /nfs/dbraw/zinc/93/15/47/521931547.db2.gz ZLBJKDHGVYCNFS-BRJLIKDPSA-N 0 0 430.335 5.311 40 30 IKEBRN COc1cc(C=NNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 ZINC000012311856 521993254 /nfs/dbraw/zinc/99/32/54/521993254.db2.gz XKLAAGCCEPHXLK-BRJLIKDPSA-N 0 0 435.738 6.680 40 30 IKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000013152104 522002912 /nfs/dbraw/zinc/00/29/12/522002912.db2.gz DXHBLDVHKADGMV-VULFUBBASA-N 0 0 447.516 5.745 40 30 IKEBRN COC(=O)c1ccc(COc2ccc3c(c2)O/C(=C\c2cn(C)c4ccccc24)C3=O)cc1 ZINC000028182510 522045797 /nfs/dbraw/zinc/04/57/97/522045797.db2.gz CRDSAOQBPKAMPV-MXAYSNPKSA-N 0 0 439.467 5.160 40 30 IKEBRN COC(=O)c1ccc(COc2ccc(C=NNc3ccc(Cl)c(Cl)c3)cc2)cc1 ZINC000012614102 522046456 /nfs/dbraw/zinc/04/64/56/522046456.db2.gz KYRBHDRQSFRHRS-DHRITJCHSA-N 0 0 429.303 5.805 40 30 IKEBRN CC[C@@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1cccc(OC)c1 ZINC000035973802 522236457 /nfs/dbraw/zinc/23/64/57/522236457.db2.gz RUCSBLGADDDLHI-GZAUMTHMSA-N 0 0 445.559 5.399 40 30 IKEBRN COC1=C(OC)C(=O)C(CCCCCCCCCCOc2ccnc(Cl)c2)=C(C)C1=O ZINC000100360416 522650652 /nfs/dbraw/zinc/65/06/52/522650652.db2.gz WIBTWRWLCRDIHA-UHFFFAOYSA-N 0 0 449.975 5.597 40 30 IKEBRN COc1cc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000013567792 522959709 /nfs/dbraw/zinc/95/97/09/522959709.db2.gz KVTJAECFRDAAPE-LJQANCHMSA-N 0 0 449.547 5.185 40 30 IKEBRN COc1cc2ccccc2cc1C(=O)Nc1c(C)cc2nc(N=NC(C)C)sc2c1C ZINC000072228637 523062264 /nfs/dbraw/zinc/06/22/64/523062264.db2.gz JVIMTPCTAFBWRR-UHFFFAOYSA-N 0 0 432.549 6.135 40 30 IKEBRN COc1ccc(-c2n[nH]c(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2Cl)cc1 ZINC000095671230 523072831 /nfs/dbraw/zinc/07/28/31/523072831.db2.gz ZMVAMPSKIYWHPY-UHFFFAOYSA-N 0 0 426.666 5.663 40 30 IKEBRN CCc1sc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1[N+](=O)[O-] ZINC000000792566 523075196 /nfs/dbraw/zinc/07/51/96/523075196.db2.gz SVEYKRAGORJZDF-UHFFFAOYSA-N 0 0 429.538 5.619 40 30 IKEBRN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 ZINC000008820997 523467810 /nfs/dbraw/zinc/46/78/10/523467810.db2.gz AELYXULBDWPQTH-YBFXNURJSA-N 0 0 445.327 6.154 40 30 IKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@H]2c1ccc(Cl)c(Cl)c1 ZINC000006177480 523943566 /nfs/dbraw/zinc/94/35/66/523943566.db2.gz JNAAZPVXVYVNER-WLJAHRKQSA-N 0 0 431.319 5.224 40 30 IKEBRN CCc1ccc(N2C(=O)C[C@@H](c3cc(OC)ccc3OC)C3=C2CC(C)(C)CC3=O)cc1 ZINC000013567835 523963299 /nfs/dbraw/zinc/96/32/99/523963299.db2.gz UCXAJPIJWBABGE-NRFANRHFSA-N 0 0 433.548 5.430 40 30 IKEBRN CCc1ccc(OC(=O)[C@](F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)cc1 ZINC000068573675 524001030 /nfs/dbraw/zinc/00/10/30/524001030.db2.gz ZJXSOWNINCNSQF-JTQLQIEISA-N 0 0 434.201 5.190 40 30 IKEBRN COc1ccc(CN/N=C/c2ccccc2OCc2cccc3ccccc32)cc1OC ZINC000020195684 524017732 /nfs/dbraw/zinc/01/77/32/524017732.db2.gz QUTVRSIWTHDBGM-RDRPBHBLSA-N 0 0 426.516 5.560 40 30 IKEBRN COc1ccc(CN/N=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1OC ZINC000020196292 524017999 /nfs/dbraw/zinc/01/79/99/524017999.db2.gz KFOKUJCBNBAQBB-MZJWZYIUSA-N 0 0 445.346 5.713 40 30 IKEBRN COc1cccc([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C3=C2C(=O)CC(C)(C)C3)c1OC ZINC000013567807 524114011 /nfs/dbraw/zinc/11/40/11/524114011.db2.gz XGFSZHBIPSIMCU-SFHVURJKSA-N 0 0 439.939 5.521 40 30 IKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4C(C)C)S2)c1C ZINC000223553836 524156094 /nfs/dbraw/zinc/15/60/94/524156094.db2.gz YTNMCCFKQMRDJV-SMNNTEATSA-N 0 0 447.648 6.696 40 30 IKEBRN COc1cccc([C@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c1OC ZINC000013567898 524173309 /nfs/dbraw/zinc/17/33/09/524173309.db2.gz DNOKZYVOVQIVTJ-QGZVFWFLSA-N 0 0 445.437 5.250 40 30 IKEBRN COc1cccc([C@H]2CC(=O)N(c3cc(Cl)ccc3C)C3=C2C(=O)CCC3)c1OC ZINC000013567938 524173531 /nfs/dbraw/zinc/17/35/31/524173531.db2.gz QJAVAHWLFPIXFY-QGZVFWFLSA-N 0 0 425.912 5.193 40 30 IKEBRN COc1cccc([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C3=C2C(=O)CCC3)c1OC ZINC000013567950 524174077 /nfs/dbraw/zinc/17/40/77/524174077.db2.gz JYBPCIYOJXVHKV-OAHLLOKOSA-N 0 0 446.330 5.538 40 30 IKEBRN Cc1cc(C)c2cc(C#N)c(NCCCNC(=O)Nc3ccccc3C(F)(F)F)nc2c1 ZINC000035291512 524350613 /nfs/dbraw/zinc/35/06/13/524350613.db2.gz JLUDUMUYAHVAMX-UHFFFAOYSA-N 0 0 441.457 5.366 40 30 IKEBRN COc1ccccc1CN1Cc2cc3ccc(C)c(C)c3nc2S/C1=N/C[C@H]1CCCO1 ZINC000013562162 524457415 /nfs/dbraw/zinc/45/74/15/524457415.db2.gz SYLXODUELMHFDE-PLFNIDSXSA-N 0 0 447.604 5.503 40 30 IKEBRN COc1ccccc1CN1Cc2cc3cc(C)c(C)cc3nc2S/C1=N/C[C@@H]1CCCO1 ZINC000013562198 524457756 /nfs/dbraw/zinc/45/77/56/524457756.db2.gz BSASZMQBWNRELJ-KQEYZTLISA-N 0 0 447.604 5.503 40 30 IKEBRN COc1ccccc1CN1Cc2cc3c(C)ccc(C)c3nc2S/C1=N/C[C@@H]1CCCO1 ZINC000013562178 524457773 /nfs/dbraw/zinc/45/77/73/524457773.db2.gz YAFRQDZKKMPZOU-ZPKNHPDFSA-N 0 0 447.604 5.503 40 30 IKEBRN Cc1ccc(COc2ccc(Cl)cc2/C=N/NCc2c(Cl)cccc2Cl)cc1 ZINC000009196878 524629418 /nfs/dbraw/zinc/62/94/18/524629418.db2.gz JKEGKOZWYGOFCZ-RPPGKUMJSA-N 0 0 433.766 6.658 40 30 IKEBRN Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4cccc(C)c4C)NC3=O)cc2)cc1 ZINC000008820755 524629511 /nfs/dbraw/zinc/62/95/11/524629511.db2.gz BEWVZOLKGNXKEO-IWIPYMOSSA-N 0 0 428.557 6.082 40 30 IKEBRN COc1ccc(Nc2nc(N=NCc3ccc(Cl)cc3)nc(Nc3ccccc3)n2)cc1 ZINC000030072256 524720429 /nfs/dbraw/zinc/72/04/29/524720429.db2.gz WARBDOVXSFRCKG-MYYYXRDXSA-N 0 0 445.914 5.467 40 30 IKEBRN COc1ccc(OC)c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c1 ZINC000013567891 524891462 /nfs/dbraw/zinc/89/14/62/524891462.db2.gz AXQCVKHRBNKOGX-SFHVURJKSA-N 0 0 445.437 5.250 40 30 IKEBRN COc1ccc(OC)c([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccnc2)c1 ZINC000013568640 524891732 /nfs/dbraw/zinc/89/17/32/524891732.db2.gz YLNXEHYCYXBHDD-QLXKLKPCSA-N 0 0 427.504 5.078 40 30 IKEBRN COc1ccc(OC)c([C@@H]2CC(=O)N(c3ccc(C(F)(F)F)cc3)C3=C2C(=O)CCC3)c1 ZINC000013567901 524892328 /nfs/dbraw/zinc/89/23/28/524892328.db2.gz FNCYWOXNKPDDAR-SFHVURJKSA-N 0 0 445.437 5.250 40 30 IKEBRN COc1ccc(OC)c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CCC3)c1 ZINC000013567892 524912792 /nfs/dbraw/zinc/91/27/92/524912792.db2.gz AXQCVKHRBNKOGX-GOSISDBHSA-N 0 0 445.437 5.250 40 30 IKEBRN Cc1cccc2cc(C#N)c(NCCCNC(=O)Nc3ccccc3C(F)(F)F)nc12 ZINC000012646152 524969359 /nfs/dbraw/zinc/96/93/59/524969359.db2.gz KTGHAJJOMNILKI-UHFFFAOYSA-N 0 0 427.430 5.057 40 30 IKEBRN Cc1ccc(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc(Cl)cc2)c(C)c1 ZINC000066091509 525020583 /nfs/dbraw/zinc/02/05/83/525020583.db2.gz AVRJTFYNNVEQIR-DEOSSOPVSA-N 0 0 448.994 6.200 40 30 IKEBRN Cc1ccc(NC(=O)CSc2nc3cc(C)cc(C)c3cc2C#N)c(Br)c1 ZINC000035288725 525078781 /nfs/dbraw/zinc/07/87/81/525078781.db2.gz OXIDFWCYCRERDP-UHFFFAOYSA-N 0 0 440.366 5.525 40 30 IKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)c(OC)c1 ZINC000013567879 525236069 /nfs/dbraw/zinc/23/60/69/525236069.db2.gz JWFFSTHYICHSPV-INIZCTEOSA-N 0 0 445.437 5.250 40 30 IKEBRN COc1ccc([C@@H]2CC(=O)N(c3ccccc3C(F)(F)F)C3=C2C(=O)CCC3)cc1OC ZINC000013567881 525236558 /nfs/dbraw/zinc/23/65/58/525236558.db2.gz ZFKGWGKDJKCOPG-HNNXBMFYSA-N 0 0 445.437 5.250 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000118916318 525353839 /nfs/dbraw/zinc/35/38/39/525353839.db2.gz UELTYJDTQILMTO-WYINDTISSA-N 0 0 446.553 6.671 40 30 IKEBRN C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccc(OC(F)(F)F)cc1)C2=O ZINC000034112429 525354079 /nfs/dbraw/zinc/35/40/79/525354079.db2.gz GAKVNINHIOJQFK-RRBXKDKASA-N 0 0 442.477 6.410 40 30 IKEBRN COc1ccc([C@H]2CC(=O)N(c3ccc(C)cc3)C3=C2C(=O)CC(C)(C)C3)c(OC)c1OC ZINC000013567790 525403375 /nfs/dbraw/zinc/40/33/75/525403375.db2.gz FCBBOMGSRKHLDF-LJQANCHMSA-N 0 0 449.547 5.185 40 30 IKEBRN Cc1c(/C=N/NCc2c(Cl)cccc2Cl)c2ccccc2n1Cc1ccc(C)cc1 ZINC000009197821 525519708 /nfs/dbraw/zinc/51/97/08/525519708.db2.gz OJVICJDETFPTSD-CCVNUDIWSA-N 0 0 436.386 6.737 40 30 IKEBRN Cc1c(/C=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)c2ccccc2n1C ZINC000016249781 525522663 /nfs/dbraw/zinc/52/26/63/525522663.db2.gz IDOLUSWFEQDZEN-YUMHPJSZSA-N 0 0 433.621 6.240 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC(=O)C[C@@]5(C)CC[C@@H]43)C2)cc1 ZINC000118914904 525623593 /nfs/dbraw/zinc/62/35/93/525623593.db2.gz IFADLLNZMJESQF-RLOFXDQLSA-N 0 0 444.637 5.681 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@H]3[C@@H]4CC[C@@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)cc1 ZINC000002562725 525623776 /nfs/dbraw/zinc/62/37/76/525623776.db2.gz NVFBLCBUSIGTCH-WZTJOTNISA-N 0 0 444.637 5.681 40 30 IKEBRN C[C@@H]1Sc2ccc(C(=O)N3CCCS/C3=N\c3ccccc3Cl)cc2NC1=O ZINC000008883207 525625449 /nfs/dbraw/zinc/62/54/49/525625449.db2.gz UZPXJLAXWIVHQM-YUGZQCPWSA-N 0 0 431.970 5.040 40 30 IKEBRN Cc1ccc(S/C(=N\Nc2ccc(Cl)cc2)C(=O)c2ccc3ccccc3c2)cc1 ZINC000013410229 525641328 /nfs/dbraw/zinc/64/13/28/525641328.db2.gz VRSYFMNWEDZONQ-FVDSYPCUSA-N 0 0 430.960 7.202 40 30 IKEBRN Cc1cc2nc(-c3cc(/N=C/C=C/c4ccc(Cl)cc4Cl)ccc3O)oc2c(C)c1 ZINC000003032254 525665275 /nfs/dbraw/zinc/66/52/75/525665275.db2.gz BQNDBGDSNUMMOR-SBVAFVRDSA-N 0 0 437.326 7.540 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=N\NC(=S)NCc3ccccc3)cc2[N+](=O)[O-])cc1 ZINC000032124705 525670885 /nfs/dbraw/zinc/67/08/85/525670885.db2.gz NMRJLGWTWDZQNP-IWIPYMOSSA-N 0 0 436.562 5.053 40 30 IKEBRN Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NCc2c(Cl)cccc2Cl)o1 ZINC000009196404 525838345 /nfs/dbraw/zinc/83/83/45/525838345.db2.gz PYEQPDVZPJKJJU-BRJLIKDPSA-N 0 0 425.319 5.871 40 30 IKEBRN Cc1ccc(C(Cl)C(=CN=Nc2ccccc2)c2cc(C#N)c(C#N)cc2[N+](=O)[O-])cc1 ZINC000085408894 525941136 /nfs/dbraw/zinc/94/11/36/525941136.db2.gz HINHWLVSYWRIKX-KOWMRQHOSA-N 0 0 441.878 5.852 40 30 IKEBRN Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2C)c(C)c1 ZINC000016284699 525967949 /nfs/dbraw/zinc/96/79/49/525967949.db2.gz WWKCWJDSPSBYRA-VMCVTNGESA-N 0 0 429.563 7.950 40 30 IKEBRN Cc1ccc(/N=C2\Sc3nc4cc5c(cc4cc3CN2C[C@H]2CCCO2)OCO5)cc1 ZINC000013511140 525971883 /nfs/dbraw/zinc/97/18/83/525971883.db2.gz GSAYFZRGXUXTRX-KRXRYSOXSA-N 0 0 433.533 5.046 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)c(C)c1 ZINC000013303972 525973028 /nfs/dbraw/zinc/97/30/28/525973028.db2.gz VOWKBWSZKSCQPS-SLJQUXCSSA-N 0 0 443.597 6.482 40 30 IKEBRN COc1cccc(C[C@@H]2Nc3cc4cc(C)ccc4nc3S/C2=N\c2cccc(C)c2)c1 ZINC000013568292 526074628 /nfs/dbraw/zinc/07/46/28/526074628.db2.gz RUVCZBYRZIMFIQ-SVUDALLQSA-N 0 0 439.584 6.719 40 30 IKEBRN Cc1cc(/C=N/c2cc(C)ccc2C)c(C)n1-c1ccc(I)cc1 ZINC000006195154 526096030 /nfs/dbraw/zinc/09/60/30/526096030.db2.gz CMTFTCNVYACLQC-YDZHTSKRSA-N 0 0 428.317 6.066 40 30 IKEBRN Cc1ccc(C(=O)N2c3ccccc3NC3=C(C(=O)CC(C)(C)C3)[C@@H]2c2ccco2)cc1 ZINC000030823020 526143802 /nfs/dbraw/zinc/14/38/02/526143802.db2.gz GSQCDUNITFNFSV-VWLOTQADSA-N 0 0 426.516 6.045 40 30 IKEBRN C[C@@H]1/C(=N\O)CC[C@H]2[C@@]3(C)CC[C@@]4(C)[C@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000008615616 526194636 /nfs/dbraw/zinc/19/46/36/526194636.db2.gz ZISSOKXBDZMEDP-KXNTUUPSSA-N 0 0 441.744 8.718 40 30 IKEBRN Cc1ccc2cc(C#N)c(NCCCNC(=O)Nc3ccccc3C(F)(F)F)nc2c1 ZINC000035313185 526225433 /nfs/dbraw/zinc/22/54/33/526225433.db2.gz CRFVFMMXMGEINY-UHFFFAOYSA-N 0 0 427.430 5.057 40 30 IKEBRN Cc1ccc(C)c(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2c2ccccc2)c1 ZINC000013306274 526257955 /nfs/dbraw/zinc/25/79/55/526257955.db2.gz BUQZDLRNSVBBNH-SLJQUXCSSA-N 0 0 443.597 6.482 40 30 IKEBRN S=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1cccc2cc3ccccc3nc21 ZINC000017314421 526382655 /nfs/dbraw/zinc/38/26/55/526382655.db2.gz RZWAHWAHRUIFCP-WYMPLXKRSA-N 0 0 425.344 6.015 40 30 IKEBRN S=C1/C(=N\c2ccccc2)N(c2ccccc2)/C(=N\c2ccccn2)N1c1ccccc1 ZINC000104311653 526387187 /nfs/dbraw/zinc/38/71/87/526387187.db2.gz NTFQVQVCZMCMMY-WCKXTXEHSA-N 0 0 433.540 6.154 40 30 IKEBRN N#CC1(C#N)[C@H](c2ccccc2Cl)[C@@H](C(=O)c2ccccc2)N2C=Cc3ccccc3[C@@H]21 ZINC000013635570 526430822 /nfs/dbraw/zinc/43/08/22/526430822.db2.gz GIMPXNKAJBQLLQ-RMTZWNOUSA-N 0 0 435.914 5.750 40 30 IKEBRN N#CC1(C#N)[C@H]2c3ccccc3C=CN2[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1Cl ZINC000013635581 526430994 /nfs/dbraw/zinc/43/09/94/526430994.db2.gz GIMPXNKAJBQLLQ-BFLUCZKCSA-N 0 0 435.914 5.750 40 30 IKEBRN O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1cccc(Cl)c1 ZINC000014257468 526439319 /nfs/dbraw/zinc/43/93/19/526439319.db2.gz DYHYELZRZURWMT-AFUMVMLFSA-N 0 0 433.920 6.129 40 30 IKEBRN N#C[C@@H](N)c1ccc(OCCCCCCCCCCOc2ccc([C@H](N)C#N)cc2)cc1 ZINC000031870865 526495036 /nfs/dbraw/zinc/49/50/36/526495036.db2.gz HAUCJFOUGDOZIP-CLJLJLNGSA-N 0 0 434.584 5.312 40 30 IKEBRN Clc1ccc(-c2nn(-c3ccccc3)cc2C=NN=c2[nH]c3ccccc3s2)cc1 ZINC000041074069 526936196 /nfs/dbraw/zinc/93/61/96/526936196.db2.gz AWZPLUGTBZOFKC-AFUMVMLFSA-N 0 0 429.936 6.248 40 30 IKEBRN Clc1ccc(/C=N/CCCCCC/N=C\c2ccc(Cl)c(Cl)c2)cc1Cl ZINC000104063631 526938243 /nfs/dbraw/zinc/93/82/43/526938243.db2.gz PKMQIKOITVWFIY-KGRJIBJCSA-N 0 0 430.206 7.399 40 30 IKEBRN Clc1ccc(/C(=N/c2ccccc2)[C@@H](Nc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000104046562 526938487 /nfs/dbraw/zinc/93/84/87/526938487.db2.gz UWSHCXPHJCVWGB-YVARBQMLSA-N 0 0 431.366 7.968 40 30 IKEBRN Clc1ccc(CN=Nc2nc(NCc3ccccc3)nc(Nc3ccccc3)n2)cc1 ZINC000036020247 526940447 /nfs/dbraw/zinc/94/04/47/526940447.db2.gz KJLFWDPIVBBDLE-QQXSKIMKSA-N 0 0 429.915 5.327 40 30 IKEBRN O=C1/C(=C/c2ccc(Cl)cc2)CN(Cc2ccccc2)C/C1=C/c1ccc(Cl)cc1 ZINC000033922071 526940639 /nfs/dbraw/zinc/94/06/39/526940639.db2.gz OSUWILFLOHLUFU-OQRYGUKSSA-N 0 0 434.366 6.545 40 30 IKEBRN Clc1ccc([N-][NH+]=Cc2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1Cl ZINC000012570215 526953783 /nfs/dbraw/zinc/95/37/83/526953783.db2.gz NGVWLDNEXCFHFR-MTDXEUNCSA-N 0 0 432.354 7.909 40 30 IKEBRN Clc1ccc(NN=Cc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000012564636 526954609 /nfs/dbraw/zinc/95/46/09/526954609.db2.gz QDSPNGXFMMGKJM-CVKSISIWSA-N 0 0 430.895 5.410 40 30 IKEBRN O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2c1cc(Cl)cc(Cl)c1 ZINC000013567952 526966699 /nfs/dbraw/zinc/96/66/99/526966699.db2.gz RWBSQZRGECRCOK-MRXNPFEDSA-N 0 0 430.287 5.250 40 30 IKEBRN Clc1ccccc1/C=N/c1ccc2c(c1)Cc1cccc(/N=C/c3ccccc3Cl)c1-2 ZINC000104391475 526987040 /nfs/dbraw/zinc/98/70/40/526987040.db2.gz IFDIJGNHMUAIRO-RVSCTIAXSA-N 0 0 441.361 8.066 40 30 IKEBRN Cn1c(-c2ccccc2)cc2c1cccc2NC(=CC(=O)c1ccccc1)c1ccccc1 ZINC000035325061 527017745 /nfs/dbraw/zinc/01/77/45/527017745.db2.gz PPRCXVMOILONQV-SZXQPVLSSA-N 0 0 428.535 7.181 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820957 527040367 /nfs/dbraw/zinc/04/03/67/527040367.db2.gz UKHMWBYBLSYKCC-VCHYOVAHSA-N 0 0 449.746 6.798 40 30 IKEBRN O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000008820819 527042499 /nfs/dbraw/zinc/04/24/99/527042499.db2.gz BOYKYXGIANFVJJ-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN O=C(Nc1cc(/N=C/c2ccc(Cl)cc2Cl)c(Cl)cc1Cl)c1ccccc1 ZINC000016476779 527100913 /nfs/dbraw/zinc/10/09/13/527100913.db2.gz GOEYNBPIWZLQIT-OPEKNORGSA-N 0 0 438.141 7.303 40 30 IKEBRN O=C1c2cc(Cl)ccc2O[C@@H](Nc2ccc(Cl)cc2)C1=CNc1ccc(Cl)cc1 ZINC000016427862 527121233 /nfs/dbraw/zinc/12/12/33/527121233.db2.gz UWKPRUGQGOONHN-GSERBOKHSA-N 0 0 445.733 6.656 40 30 IKEBRN O=S(=O)(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1ccccc1 ZINC000014257464 527262751 /nfs/dbraw/zinc/26/27/51/527262751.db2.gz ZAYJASMOXMCMLC-HZHRSRAPSA-N 0 0 435.530 5.024 40 30 IKEBRN O=S1(=O)CS/C(=N/C(=S)N(c2ccccc2)c2ccccc2)N1c1ccccc1 ZINC000104202007 527314334 /nfs/dbraw/zinc/31/43/34/527314334.db2.gz WHFLLSDSNHZKAX-QURGRASLSA-N 0 0 439.587 5.006 40 30 IKEBRN O=[N+]([O-])c1cc(C=NN=c2[nH]c3ccccc3s2)ccc1Sc1ccc(Cl)cc1 ZINC000032116859 527326502 /nfs/dbraw/zinc/32/65/02/527326502.db2.gz PFOIQZHRODKDDQ-UUYOSTAYSA-N 0 0 440.937 6.455 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2csc(N=NCc3ccccc3OCc3ccccc3)n2)cc1 ZINC000032673725 527342914 /nfs/dbraw/zinc/34/29/14/527342914.db2.gz PVDFMRLSYUZACO-OYKKKHCWSA-N 0 0 430.489 5.743 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)nc1 ZINC000038196212 527359479 /nfs/dbraw/zinc/35/94/79/527359479.db2.gz YUFUCZMOZACMNA-OPVMPGTRSA-N 0 0 435.242 5.461 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)nc1 ZINC000035131554 527360973 /nfs/dbraw/zinc/36/09/73/527360973.db2.gz SRKMMBAFNGJPOB-OPVMPGTRSA-N 0 0 435.242 5.461 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@H]1CO1 ZINC000095676657 527661998 /nfs/dbraw/zinc/66/19/98/527661998.db2.gz NTCFPSIOLPOKNV-GSVOUGTGSA-N 0 0 426.119 5.149 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)nc1 ZINC000034795951 555509250 /nfs/dbraw/zinc/50/92/50/555509250.db2.gz LENVLVPFRGGQQA-OPVMPGTRSA-N 0 0 435.242 5.461 40 30 IKEBRN N#CC1(C#N)[C@H]2C=Cc3ccccc3N2[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccc(F)cc1F ZINC000000708509 555545798 /nfs/dbraw/zinc/54/57/98/555545798.db2.gz CAYPLBWXIOMWFB-DSNGMDLFSA-N 0 0 437.449 5.249 40 30 IKEBRN COc1ccc2c(c1)CC[C@@H]1[C@@H]3C/C(=C\c4ccc(OC(F)F)cc4)C(=O)[C@]3(C)CC[C@@H]21 ZINC000010272336 555696851 /nfs/dbraw/zinc/69/68/51/555696851.db2.gz SDYMIDMUFXWPCF-SANQDLMBSA-N 0 0 438.514 6.415 40 30 IKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C(=O)N1CC ZINC000035041791 555700533 /nfs/dbraw/zinc/70/05/33/555700533.db2.gz QUYPXQOCEYCYMA-ATAQLJSPSA-N 0 0 430.957 5.240 40 30 IKEBRN Cc1ccc(C2=C(c3ccc(C)cc3)C(c3ccc(C)cc3)=C(c3ccc(C)cc3)C2=O)cc1 ZINC000001628720 555707081 /nfs/dbraw/zinc/70/70/81/555707081.db2.gz ZSUDSCKIBFDILN-UHFFFAOYSA-N 0 0 440.586 8.025 40 30 IKEBRN N#C[C@@]1(Nc2ccc(Br)cc2)C=C(c2ccccc2)[C@](O)(c2ccccc2)C1 ZINC000001675871 555708971 /nfs/dbraw/zinc/70/89/71/555708971.db2.gz APFZSRPPJUQXLR-DNQXCXABSA-N 0 0 431.333 5.498 40 30 IKEBRN c1ccc2c(c1)-c1ccccc1C2=Nc1ccc(N=C2c3ccccc3-c3ccccc32)cc1 ZINC000001724459 555710799 /nfs/dbraw/zinc/71/07/99/555710799.db2.gz GCKQVENQMOTMOW-UHFFFAOYSA-N 0 0 432.526 7.986 40 30 in-vitro IKEBRN N#C[C@H]1C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)C(c1ccccc1)=C2c1ccccc1 ZINC000001722478 555710959 /nfs/dbraw/zinc/71/09/59/555710959.db2.gz TWDUEZCBTVNBEI-MBYALERHSA-N 0 0 437.542 6.600 40 30 IKEBRN COc1ccc([C@H](C#N)CC(=O)c2ccc(OCc3ccccc3)c(OC)c2)cc1OC ZINC000001735206 555711213 /nfs/dbraw/zinc/71/12/13/555711213.db2.gz RGXFXLCNAOBHLD-NRFANRHFSA-N 0 0 431.488 5.172 40 30 IKEBRN CCOC(=O)CC1=CS/C(=N\c2cc(C(F)(F)F)ccc2Cl)N(C(C)(C)C)N1 ZINC000100218535 555718736 /nfs/dbraw/zinc/71/87/36/555718736.db2.gz XYLHOJGYGPBDSJ-KQWNVCNZSA-N 0 0 435.899 5.493 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@@H]1[C@H]2c1ccc(Oc2ccccc2)cc1 ZINC000035111938 555785570 /nfs/dbraw/zinc/78/55/70/555785570.db2.gz LVUSMLFVFAEDMA-AHKZPQOWSA-N 0 0 447.534 6.521 40 30 IKEBRN COc1cc(/C=N\c2cccc(O)c2)ccc1OCc1ccc(C(=O)N2CCCCC2)cc1 ZINC000408544168 555791425 /nfs/dbraw/zinc/79/14/25/555791425.db2.gz VKDHDAOCJZOQAR-VEILYXNESA-N 0 0 444.531 5.357 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N\c3cccc(Cl)c3Cl)c3ccccc32)c1 ZINC000408544780 555792809 /nfs/dbraw/zinc/79/28/09/555792809.db2.gz XIFQASFIGQJAFY-WKIKZPBSSA-N 0 0 437.326 6.534 40 30 IKEBRN COc1cccc(Oc2ccc(/N=C/c3ccccc3I)cc2)c1 ZINC000408551594 555859274 /nfs/dbraw/zinc/85/92/74/555859274.db2.gz OIIONYRMLCAYSO-HYARGMPZSA-N 0 0 429.257 5.843 40 30 IKEBRN C=CCn1c(Cc2cccc3ccccc32)nnc1SCC(=O)N[C@H](C)c1ccccc1 ZINC000408560221 555900132 /nfs/dbraw/zinc/90/01/32/555900132.db2.gz FGPQHKYWYCFWDZ-LJQANCHMSA-N 0 0 442.588 5.178 40 30 IKEBRN CCCCCCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1CC ZINC000408560527 555901701 /nfs/dbraw/zinc/90/17/01/555901701.db2.gz JPMCJXRWMWLHNG-UHFFFAOYSA-N 0 0 429.417 5.849 40 30 IKEBRN CCOc1cc(/C=C(\C(=O)c2cccs2)C(=O)C(F)(F)F)cc(Br)c1O ZINC000408563232 555907532 /nfs/dbraw/zinc/90/75/32/555907532.db2.gz JXHREZPASMWLIC-UXBLZVDNSA-N 0 0 449.244 5.013 40 30 IKEBRN Cc1ccccc1Cn1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc21 ZINC000408565790 555908195 /nfs/dbraw/zinc/90/81/95/555908195.db2.gz AMXYGOIBQUNPON-ZMOGYAJESA-N 0 0 429.436 5.260 40 30 IKEBRN Brc1cc(C=NNc2ccccc2)ccc1OCc1cccc2ccccc21 ZINC000408567358 555910679 /nfs/dbraw/zinc/91/06/79/555910679.db2.gz MBKHFMSRWMHAJP-WGOQTCKBSA-N 0 0 431.333 6.627 40 30 IKEBRN Cc1ccc(S(=O)(=O)O[C@@H]2CC[C@@H]3[C@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@@H]4CC[C@@]23C)cc1 ZINC000003846862 555948411 /nfs/dbraw/zinc/94/84/11/555948411.db2.gz NVFBLCBUSIGTCH-PZWVWVFKSA-N 0 0 444.637 5.681 40 30 IKEBRN Cc1sc2ncnc(SCC(=O)Nc3sc4c(c3C#N)CC[C@H](C)C4)c2c1C ZINC000013454046 555959961 /nfs/dbraw/zinc/95/99/61/555959961.db2.gz JETLZMWXRUDZGC-JTQLQIEISA-N 0 0 428.608 5.097 40 30 IKEBRN CN1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccc(N2CCOCC2)cc1 ZINC000004105534 555962626 /nfs/dbraw/zinc/96/26/26/555962626.db2.gz UHNDKKPQBIPCFW-GVPYCIPCSA-N 0 0 435.593 5.055 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(-c3cc([N+](=O)[O-])c(Cl)cc3Cl)o2)c1 ZINC000408596484 555963469 /nfs/dbraw/zinc/96/34/69/555963469.db2.gz ZPJBMPZTJVVQAK-ZVBGSRNCSA-N 0 0 436.207 5.621 40 30 IKEBRN CC(C)COc1ccc(/C=N\c2sc3c(c2C#N)CCN(C)C3)cc1Br ZINC000408604469 555974623 /nfs/dbraw/zinc/97/46/23/555974623.db2.gz USJCITWMBVMIQJ-RMORIDSASA-N 0 0 432.387 5.156 40 30 IKEBRN CC[C@H](C(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(OC)cc1)C1CCCCC1 ZINC000004265976 555980454 /nfs/dbraw/zinc/98/04/54/555980454.db2.gz LTJAWEGODMRXLB-XUKXGFMLSA-N 0 0 440.500 5.934 40 30 IKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@@H]([C@H](C)O)[C@](C)(CCCO)[C@]3(CC[C@]12C)O4 ZINC000004293440 555983666 /nfs/dbraw/zinc/98/36/66/555983666.db2.gz FQVYPFDSTMDZMU-LDERPEMCSA-N 0 0 448.732 6.743 40 30 IKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@]34CC[C@H]5[C@H](C)C(=O)CC[C@]5(C)[C@]3(CC[C@]12C)O4 ZINC000004293392 555983785 /nfs/dbraw/zinc/98/37/85/555983785.db2.gz QXRLFOIWIZFYOW-HTMKDARESA-N 0 0 428.701 7.588 40 30 IKEBRN COc1cc(/C=C/C(=O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000408622517 555991398 /nfs/dbraw/zinc/99/13/98/555991398.db2.gz PTFLGZKZEPURAT-JXMROGBWSA-N 0 0 447.745 7.131 40 30 IKEBRN Cc1cc(/C=C/C(=O)c2ccccc2)c(C)n1-c1ccc(I)cc1 ZINC000408625128 555995787 /nfs/dbraw/zinc/99/57/87/555995787.db2.gz WLRSSICYISBOBZ-MDWZMJQESA-N 0 0 427.285 5.595 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NC(c2ccc3ccccc3c2)c2ccccc2F)c([N+](=O)[O-])c1 ZINC000004974372 556025105 /nfs/dbraw/zinc/02/51/05/556025105.db2.gz QCCOHKTWKGLEBJ-RWEWTDSWSA-N 0 0 430.395 5.660 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NC2=C(Cl)C(c3ccccc3)[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000005340153 556046667 /nfs/dbraw/zinc/04/66/67/556046667.db2.gz KNFNODSXKGDCHS-CGDDYCGFSA-N 0 0 448.866 6.109 40 30 IKEBRN C/C(=N\NS(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)c1cccc2c1OCO2 ZINC000005662947 556061997 /nfs/dbraw/zinc/06/19/97/556061997.db2.gz RXIDOYLAWXOLHZ-KOEQRZSOSA-N 0 0 444.597 5.488 40 30 IKEBRN CCCCCCCCCCOC(=O)c1ccc(NC(=O)[C@@H]2[C@H]3C[C@H]4OC(=O)[C@H]2[C@H]4C3)cc1 ZINC000408674411 556067576 /nfs/dbraw/zinc/06/75/76/556067576.db2.gz ZJSJQIDRZDNXJQ-FHGIMWBPSA-N 0 0 441.568 5.120 40 30 IKEBRN Cc1nc(Nc2ccc(Cl)c(Cl)c2)sc1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000005852862 556067915 /nfs/dbraw/zinc/06/79/15/556067915.db2.gz HUWFWRBOYDPAPI-QHHAFSJGSA-N 0 0 433.316 6.127 40 30 IKEBRN C=CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C ZINC000035362396 556083911 /nfs/dbraw/zinc/08/39/11/556083911.db2.gz BODQATCYWPONIV-JOCHJYFZSA-N 0 0 434.609 5.500 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3cccc(OC)c3)sc2-c2ccc(OC)cc2)cc1 ZINC000408722590 556149495 /nfs/dbraw/zinc/14/94/95/556149495.db2.gz LLSCNDGZPDNYEO-WGOQTCKBSA-N 0 0 430.529 6.254 40 30 IKEBRN CCc1ccc(-c2nc(/N=C/c3ccccc3OC)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408722576 556149514 /nfs/dbraw/zinc/14/95/14/556149514.db2.gz LCXFJYIDPMGYBI-WGOQTCKBSA-N 0 0 443.528 6.707 40 30 IKEBRN CCCCSC(=O)[C@@]1(C)CC[C@@H]2[C@H](CC=C3C[C@@H](OC(C)=O)CC[C@@]32C)[C@@H]1CC#N ZINC000008616311 556192550 /nfs/dbraw/zinc/19/25/50/556192550.db2.gz JFFSTLYNUSZJBJ-AMAPAYRQSA-N 0 0 431.642 6.061 40 30 IKEBRN CC1(C)C[C@](C)(c2ccccc2)c2cccc3c2N1C(=O)/C3=N\c1ccc(Cl)c(Cl)c1 ZINC000008623814 556193474 /nfs/dbraw/zinc/19/34/74/556193474.db2.gz NKVBMEVULBJSKQ-MIGQBWSYSA-N 0 0 449.381 6.949 40 30 IKEBRN N#C[C@H](C(=O)CCCC(=O)Nc1cc(Cl)ccc1Cl)c1ccc(Cl)cc1Cl ZINC000008655410 556196890 /nfs/dbraw/zinc/19/68/90/556196890.db2.gz BQXODNMEUYOOAQ-AWEZNQCLSA-N 0 0 444.145 6.285 40 30 IKEBRN C/C(=C/C(=O)c1ccc(Sc2ccccc2)cc1)c1ccc(Sc2ccccc2)cc1 ZINC000008655851 556197262 /nfs/dbraw/zinc/19/72/62/556197262.db2.gz QBNDLZPWGPIVIC-MRCUWXFGSA-N 0 0 438.617 8.275 40 30 IKEBRN COc1ccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccc(C)cc4)cs3)cc2)cc1 ZINC000408737678 556199530 /nfs/dbraw/zinc/19/95/30/556199530.db2.gz UPEWBIDPZCAMKM-CVKSISIWSA-N 0 0 443.528 5.792 40 30 IKEBRN C=CCN(CC=C)C(=S)Oc1ccc2nc3c4ccccc4c4ccccc4c3nc2c1 ZINC000408735987 556202818 /nfs/dbraw/zinc/20/28/18/556202818.db2.gz ZIJAXDXBSDEYOI-UHFFFAOYSA-N 0 0 435.552 6.427 40 30 IKEBRN O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000035646562 556204375 /nfs/dbraw/zinc/20/43/75/556204375.db2.gz SMCKDVCEKVZXAZ-WQRHYEAKSA-N 0 0 425.853 5.400 40 30 IKEBRN Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1C ZINC000035646320 556204405 /nfs/dbraw/zinc/20/44/05/556204405.db2.gz MSYHNPCFBSCFMO-JAIQZWGSSA-N 0 0 443.355 6.762 40 30 IKEBRN Cc1ccc(COc2ccc(/C=C3\S/C(=N\c4cc(C)ccc4C)NC3=O)cc2)cc1 ZINC000008820758 556221088 /nfs/dbraw/zinc/22/10/88/556221088.db2.gz RNDURKQKWQRCHO-IWIPYMOSSA-N 0 0 428.557 6.082 40 30 IKEBRN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)S1 ZINC000008820776 556221324 /nfs/dbraw/zinc/22/13/24/556221324.db2.gz QCXVYKILXGGUED-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN O=C1N/C(=N/c2cccc(Cl)c2Cl)S/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000008820936 556221329 /nfs/dbraw/zinc/22/13/29/556221329.db2.gz HLRMYVMGUKEJDO-LICLKQGHSA-N 0 0 449.746 6.798 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)S2)c(C)c1 ZINC000008820815 556221339 /nfs/dbraw/zinc/22/13/39/556221339.db2.gz WRRFGWVXUICKMB-UCQKPKSFSA-N 0 0 448.975 6.427 40 30 IKEBRN O=C1N/C(=N/c2ccc3ccccc3c2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820961 556221374 /nfs/dbraw/zinc/22/13/74/556221374.db2.gz KAFTYGRWUCDGAC-HYARGMPZSA-N 0 0 430.916 6.645 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C/c1ccc(-c2cccc(Cl)c2)o1 ZINC000008820958 556221390 /nfs/dbraw/zinc/22/13/90/556221390.db2.gz OCQSUEVPZLYZPD-VCHYOVAHSA-N 0 0 449.746 6.798 40 30 IKEBRN COc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccccc4Cl)o3)S2)c(OC)c1 ZINC000008820926 556221392 /nfs/dbraw/zinc/22/13/92/556221392.db2.gz DJHYANYQQLSIGO-UDWIEESQSA-N 0 0 440.908 5.509 40 30 IKEBRN O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(-c2ccccc2Cl)o1 ZINC000008820930 556221395 /nfs/dbraw/zinc/22/13/95/556221395.db2.gz DSCMXENZYLYOHL-WOJGMQOQSA-N 0 0 448.853 6.510 40 30 IKEBRN Cc1ccc(C)c(/N=C2/NC(=O)/C(=C/c3ccc(OCc4ccccc4Cl)cc3)S2)c1 ZINC000008820789 556221399 /nfs/dbraw/zinc/22/13/99/556221399.db2.gz BTRGYQMUBOMGTF-UCQKPKSFSA-N 0 0 448.975 6.427 40 30 IKEBRN Cc1cccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1C ZINC000008821001 556221620 /nfs/dbraw/zinc/22/16/20/556221620.db2.gz XVWIHLLXRCFTGR-RGVLZGJSSA-N 0 0 443.355 6.762 40 30 IKEBRN CCc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 ZINC000008820965 556221626 /nfs/dbraw/zinc/22/16/26/556221626.db2.gz PRSXFKAYIBAQBU-UDWIEESQSA-N 0 0 443.355 6.707 40 30 IKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4cccc([N+](=O)[O-])c4)o3)S2)cc1 ZINC000008821081 556221651 /nfs/dbraw/zinc/22/16/51/556221651.db2.gz MYQYGWNDLUFHFF-DEDYPNTBSA-N 0 0 435.461 5.145 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000008820979 556221694 /nfs/dbraw/zinc/22/16/94/556221694.db2.gz NPPHGVAOLFKTCE-VCHYOVAHSA-N 0 0 449.746 6.798 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1C ZINC000008821003 556221711 /nfs/dbraw/zinc/22/17/11/556221711.db2.gz MSYHNPCFBSCFMO-RGVLZGJSSA-N 0 0 443.355 6.762 40 30 IKEBRN CN(C)c1ccc(/C=C2\S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 ZINC000008821194 556221967 /nfs/dbraw/zinc/22/19/67/556221967.db2.gz NNZUUAZMKFNZHU-SXGWCWSVSA-N 0 0 425.863 5.316 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Br)cc1 ZINC000008821177 556221985 /nfs/dbraw/zinc/22/19/85/556221985.db2.gz OTQCFRUDMPJSCN-AUWJEWJLSA-N 0 0 428.138 5.648 40 30 IKEBRN O=C1N/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1ccc([N+](=O)[O-])cc1 ZINC000008821198 556222120 /nfs/dbraw/zinc/22/21/20/556222120.db2.gz FRAVOLNBFRFKBU-AUWJEWJLSA-N 0 0 427.791 5.159 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C\c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1 ZINC000008821217 556222198 /nfs/dbraw/zinc/22/21/98/556222198.db2.gz SNTQQFGSORAUPR-WOJGMQOQSA-N 0 0 429.328 6.453 40 30 IKEBRN CCc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S1 ZINC000008821218 556222237 /nfs/dbraw/zinc/22/22/37/556222237.db2.gz GMCWDYUCFIHOAP-XDHOZWIPSA-N 0 0 443.355 6.707 40 30 IKEBRN Cn1cc(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)c2ccccc21 ZINC000008821714 556223666 /nfs/dbraw/zinc/22/36/66/556223666.db2.gz QAEOOFFUBDWXLJ-CAOOACKPSA-N 0 0 435.858 5.742 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3nc4ccccc4n3C)C(=O)N2c2ccc(C)cc2)cc1 ZINC000008869989 556228650 /nfs/dbraw/zinc/22/86/50/556228650.db2.gz XNAKYANPJMBBDL-BVGVAWRYSA-N 0 0 438.556 5.999 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)nc1 ZINC000408748427 556230275 /nfs/dbraw/zinc/23/02/75/556230275.db2.gz AFIUFVSONVCBDJ-VROXFSQNSA-N 0 0 447.329 5.155 40 30 IKEBRN N#Cc1ccccc1COc1ccc(Cl)cc1/C=N/NCc1c(Cl)cccc1Cl ZINC000009196863 556254668 /nfs/dbraw/zinc/25/46/68/556254668.db2.gz AHIRSOXKTZBFTD-KKMKTNMSSA-N 0 0 444.749 6.221 40 30 IKEBRN Cc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000009261286 556268961 /nfs/dbraw/zinc/26/89/61/556268961.db2.gz WDLXOKWWOKRWLN-HZHRSRAPSA-N 0 0 447.579 6.422 40 30 IKEBRN COCCCN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1 ZINC000009261516 556269200 /nfs/dbraw/zinc/26/92/00/556269200.db2.gz BWOUVQLTWXPQMX-YWQSIKCOSA-N 0 0 443.528 5.459 40 30 IKEBRN N#Cc1c(/N=C2\C(=O)c3ccccc3N2Cc2ccccc2Cl)sc2c1CCCC2 ZINC000014162144 556378644 /nfs/dbraw/zinc/37/86/44/556378644.db2.gz NHGZQCHJHBXWGU-SLEBQGDGSA-N 0 0 431.948 6.085 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)S1 ZINC000408856617 556444212 /nfs/dbraw/zinc/44/42/12/556444212.db2.gz HTOLRHAJIXASKH-XKZIYDEJSA-N 0 0 435.524 5.442 40 30 IKEBRN CCc1ccc(/N=C2\S/C(=C\C(C)=C\c3ccco3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000408855663 556444558 /nfs/dbraw/zinc/44/45/58/556444558.db2.gz FXLRBKYBCFKKAL-VCNHSGRNSA-N 0 0 442.584 7.159 40 30 IKEBRN C=CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)SC1=S ZINC000040006209 556445767 /nfs/dbraw/zinc/44/57/67/556445767.db2.gz RUOMFRRPCVAZIP-DEDYPNTBSA-N 0 0 429.538 5.191 40 30 IKEBRN CCOc1cc(C=NNc2ccccc2)c(Br)cc1OCc1ccc(F)cc1 ZINC000408857845 556446594 /nfs/dbraw/zinc/44/65/94/556446594.db2.gz MVKQODGODYDYOK-QFEZKATASA-N 0 0 443.316 6.012 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408858735 556451345 /nfs/dbraw/zinc/45/13/45/556451345.db2.gz OYQHCLJXGGFOEW-NLNLCADSSA-N 0 0 432.633 7.167 40 30 IKEBRN COc1cc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(Cl)c1O ZINC000408858942 556452376 /nfs/dbraw/zinc/45/23/76/556452376.db2.gz UUJNQOYYOSDLCW-MXAYSNPKSA-N 0 0 440.952 5.997 40 30 IKEBRN CC(C)COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408860431 556452965 /nfs/dbraw/zinc/45/29/65/556452965.db2.gz VLWOGLIFUUPFJF-LHGGQAAOSA-N 0 0 448.632 6.904 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1O ZINC000408859238 556453010 /nfs/dbraw/zinc/45/30/10/556453010.db2.gz RGNFSMATMMBLFT-MAIMZUNFSA-N 0 0 436.577 5.974 40 30 IKEBRN COc1cc(/C=N\N2CCN(Cc3ccc(C)cc3C)CC2)ccc1OCc1ccccc1 ZINC000028351273 556453081 /nfs/dbraw/zinc/45/30/81/556453081.db2.gz SOBZMVGVFNGCRI-CEUNXORHSA-N 0 0 443.591 5.043 40 30 IKEBRN Cc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1[N+](=O)[O-] ZINC000408861065 556453385 /nfs/dbraw/zinc/45/33/85/556453385.db2.gz LZBKFSOBAJHIJF-CFZWDAKHSA-N 0 0 435.549 6.086 40 30 IKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2c(F)cccc2Cl)S/C1=N\c1ccccc1 ZINC000408863788 556456353 /nfs/dbraw/zinc/45/63/53/556456353.db2.gz UJMQKLILDHWRFW-GGYAHKELSA-N 0 0 428.960 6.662 40 30 IKEBRN CCC1N=NC(=S)N1N=Cc1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 ZINC000408864471 556457692 /nfs/dbraw/zinc/45/76/92/556457692.db2.gz WEDYANFJNHNOSS-AUEPDCJTSA-N 0 0 430.364 5.321 40 30 IKEBRN COc1cccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1OC ZINC000408865462 556458029 /nfs/dbraw/zinc/45/80/29/556458029.db2.gz ASYUCBFXRNCRTL-NRGMOFNHSA-N 0 0 436.577 5.887 40 30 IKEBRN Cc1ccc(-c2nc3cc(/N=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)ccc3o2)cc1 ZINC000014920406 556458723 /nfs/dbraw/zinc/45/87/23/556458723.db2.gz LCFJZEAPFSCLOK-CCVNUDIWSA-N 0 0 447.321 8.121 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 ZINC000408870016 556461788 /nfs/dbraw/zinc/46/17/88/556461788.db2.gz UUYRLXICJJMMSW-HAHDFKILSA-N 0 0 430.529 5.474 40 30 IKEBRN CCOC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408869932 556461796 /nfs/dbraw/zinc/46/17/96/556461796.db2.gz RCRZKSMDSHAECJ-OPVSOKKRSA-N 0 0 448.588 6.046 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(OC)c1 ZINC000408871211 556462034 /nfs/dbraw/zinc/46/20/34/556462034.db2.gz YVVNMSKPJLWPAZ-AEXPQDBSSA-N 0 0 436.577 5.887 40 30 IKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 ZINC000408870869 556462121 /nfs/dbraw/zinc/46/21/21/556462121.db2.gz XTEIWACEMWDDOO-UCQKPKSFSA-N 0 0 427.504 5.720 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3C)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000408872950 556462676 /nfs/dbraw/zinc/46/26/76/556462676.db2.gz PUPWSZDIVAFGKM-XKZIYDEJSA-N 0 0 435.980 6.256 40 30 IKEBRN COc1ccc(OC)c(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 ZINC000408875804 556465639 /nfs/dbraw/zinc/46/56/39/556465639.db2.gz HSSWTNQIVGYAOE-VUWMNBKMSA-N 0 0 436.577 5.887 40 30 IKEBRN COc1ccc(Cl)cc1/C=C1\S/C(=N\c2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O ZINC000408875837 556465973 /nfs/dbraw/zinc/46/59/73/556465973.db2.gz LSLGYPKGWOLNMY-XWHUXBOCSA-N 0 0 440.996 6.531 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)S1 ZINC000408882590 556471268 /nfs/dbraw/zinc/47/12/68/556471268.db2.gz RLTZVYYFNXEZEC-UCQKPKSFSA-N 0 0 445.588 5.920 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000408884600 556472396 /nfs/dbraw/zinc/47/23/96/556472396.db2.gz ZUTFOBKNGJCUAA-LSHDLFTRSA-N 0 0 448.266 5.663 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 ZINC000408896552 556482115 /nfs/dbraw/zinc/48/21/15/556482115.db2.gz OHEFCHYNWUPEDL-ZMOGYAJESA-N 0 0 449.359 5.193 40 30 IKEBRN COc1cc(C=NNc2ccc(Br)cc2)ccc1OCc1ccccc1C#N ZINC000015008842 556482583 /nfs/dbraw/zinc/48/25/83/556482583.db2.gz FJEXZUWFVLGWPA-AFUMVMLFSA-N 0 0 436.309 5.354 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 ZINC000408898154 556483849 /nfs/dbraw/zinc/48/38/49/556483849.db2.gz VDPRPJLRGFERQQ-ZMOGYAJESA-N 0 0 449.359 5.193 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3c[nH]c4ccc(OCc5ccccc5)cc34)S2)cc1 ZINC000408897717 556484509 /nfs/dbraw/zinc/48/45/09/556484509.db2.gz ZMZNONTUTQDFIW-CFRMEGHHSA-N 0 0 439.540 5.947 40 30 IKEBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)o1 ZINC000408898881 556485634 /nfs/dbraw/zinc/48/56/34/556485634.db2.gz YCPVDOKFNJTUHU-NDENLUEZSA-N 0 0 435.461 5.063 40 30 IKEBRN COc1ccc(CN=Nc2ccc([N+](=O)[O-])cn2)cc1OCc1ccc(Cl)cc1Cl ZINC000408898470 556486602 /nfs/dbraw/zinc/48/66/02/556486602.db2.gz LPRRZXXUTVFGQM-YSURURNPSA-N 0 0 447.278 5.330 40 30 IKEBRN COc1ccc(Cl)cc1C1C2=C(CC(C)(C)CC2=O)N(C)C2=C1C(=O)CC(C)(C)C2 ZINC000408898683 556486988 /nfs/dbraw/zinc/48/69/88/556486988.db2.gz RFNBIKCHGLYFCU-UHFFFAOYSA-N 0 0 427.972 5.664 40 30 IKEBRN N#Cc1cc([N+](=O)[O-])ccc1Oc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1 ZINC000408898714 556487034 /nfs/dbraw/zinc/48/70/34/556487034.db2.gz MLDGYDWEJHGXEX-MTJSOVHGSA-N 0 0 442.456 5.150 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OC(=O)c3ccc(C)cc3)S2)cc1 ZINC000408899967 556487278 /nfs/dbraw/zinc/48/72/78/556487278.db2.gz RYDULQSZXLGXTI-JCMHNJIXSA-N 0 0 428.513 5.414 40 30 IKEBRN COCCCN1C2=C(C(=O)CCC2)C(c2cn(C(C)C)c3ccccc23)C2=C1CCCC2=O ZINC000408900662 556488287 /nfs/dbraw/zinc/48/82/87/556488287.db2.gz ZLEQXQKTOTXZJL-UHFFFAOYSA-N 0 0 446.591 5.672 40 30 IKEBRN COC(=O)[C@H]1C(=O)C2=C(CC1(C)C)Nc1ccc3ncccc3c1[C@H]2c1ccc(C)cc1 ZINC000015024034 556488809 /nfs/dbraw/zinc/48/88/09/556488809.db2.gz OZDRJIWWJNRYEC-ZJSXRUAMSA-N 0 0 426.516 5.143 40 30 IKEBRN CCOc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1I ZINC000408905371 556492751 /nfs/dbraw/zinc/49/27/51/556492751.db2.gz XYUVGURHEZIGMX-XQNSMLJCSA-N 0 0 442.300 5.862 40 30 IKEBRN Cc1cc2c(cc1/C=C1/S/C(=N\c3ccccc3)N(Cc3ccccc3)C1=O)OCO2 ZINC000408905790 556492865 /nfs/dbraw/zinc/49/28/65/556492865.db2.gz DXFNEBIDZLGYJQ-WRIATZMJSA-N 0 0 428.513 5.528 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C(=O)N2C)cc1 ZINC000408905607 556492978 /nfs/dbraw/zinc/49/29/78/556492978.db2.gz BOVDWVRCFQKHPT-WNIMSWJZSA-N 0 0 448.975 6.461 40 30 IKEBRN CCCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)S/C1=N\c1ccccc1 ZINC000408905723 556493068 /nfs/dbraw/zinc/49/30/68/556493068.db2.gz CXOFTVFEXQHORM-JRLDGGGSSA-N 0 0 447.354 5.177 40 30 IKEBRN COC(=O)c1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000408906166 556493296 /nfs/dbraw/zinc/49/32/96/556493296.db2.gz ASAJWEGZWIKOLR-OSAFKRHQSA-N 0 0 442.540 5.838 40 30 IKEBRN CCn1c(C)c(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c2ccccc21 ZINC000408907215 556494422 /nfs/dbraw/zinc/49/44/22/556494422.db2.gz ADPDEHCNLAOJED-QRQIAZFYSA-N 0 0 441.600 6.913 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N(CCc3ccccc3)C2=O)cc1 ZINC000408907365 556494452 /nfs/dbraw/zinc/49/44/52/556494452.db2.gz MMZVJPQBRMNDQU-GJHWIIEUSA-N 0 0 428.557 5.932 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)c1OC ZINC000408910677 556495511 /nfs/dbraw/zinc/49/55/11/556495511.db2.gz XQDMCGKZBILJEV-SPFAOYRPSA-N 0 0 444.556 6.069 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000408909466 556496139 /nfs/dbraw/zinc/49/61/39/556496139.db2.gz CZUDJXHDYDHDMV-YCJCGMCGSA-N 0 0 444.556 5.904 40 30 IKEBRN COc1ccc(OC)c(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1 ZINC000408909551 556496663 /nfs/dbraw/zinc/49/66/63/556496663.db2.gz DOFVBUXDRBULAN-YCJCGMCGSA-N 0 0 444.556 5.816 40 30 IKEBRN C=CCc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1ccc(F)cc1 ZINC000408909693 556496689 /nfs/dbraw/zinc/49/66/89/556496689.db2.gz IECIHAVFYWHFHI-YSMPRRRNSA-N 0 0 435.455 5.496 40 30 IKEBRN CCCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(c2ccc(C)cc2)C1=O ZINC000408913055 556497762 /nfs/dbraw/zinc/49/77/62/556497762.db2.gz PHOXUSZBFSYJGM-AJGXWLHTSA-N 0 0 442.584 6.901 40 30 IKEBRN O=C(Nc1ccccc1)c1c(/N=C\c2cccc(Cl)c2Cl)sc2c1CCCC2 ZINC000408912948 556497766 /nfs/dbraw/zinc/49/77/66/556497766.db2.gz MHEAENAEUYQRJA-MXAYSNPKSA-N 0 0 429.372 6.937 40 30 IKEBRN COc1cccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c1OCC#N ZINC000408912035 556498358 /nfs/dbraw/zinc/49/83/58/556498358.db2.gz KLXDPLPBOKHCFH-YUMHPJSZSA-N 0 0 445.544 5.541 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(C(=O)OC)cc2)C(=O)N1C1CCCCC1 ZINC000408911947 556498389 /nfs/dbraw/zinc/49/83/89/556498389.db2.gz LCXYFMFWKGBYBF-LQLRGMOSSA-N 0 0 448.588 5.972 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)N1C1CCCCC1 ZINC000408912279 556498958 /nfs/dbraw/zinc/49/89/58/556498958.db2.gz MURLYSKUTMAROI-OQNHBUHUSA-N 0 0 449.576 6.402 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)ccc1O ZINC000408912359 556499295 /nfs/dbraw/zinc/49/92/95/556499295.db2.gz NGCCFABALAGHOT-HUOZHCEOSA-N 0 0 430.529 5.513 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1C ZINC000408912368 556499358 /nfs/dbraw/zinc/49/93/58/556499358.db2.gz NGIDSRVLRBRRGQ-DOGKOTLKSA-N 0 0 446.547 6.201 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C3CCCCC3)C2=O)c(OC)c1 ZINC000408913815 556499648 /nfs/dbraw/zinc/49/96/48/556499648.db2.gz ROPFASBNAUKCBT-HUOZHCEOSA-N 0 0 436.577 5.949 40 30 IKEBRN CCCCOc1ccc(/C=C2/S/C(=N\c3ccccc3CC)N(CC)C2=O)cc1OC ZINC000408914112 556499702 /nfs/dbraw/zinc/49/97/02/556499702.db2.gz SXUPHVVYEURLDG-OBUXZSPNSA-N 0 0 438.593 6.060 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000408914570 556500072 /nfs/dbraw/zinc/50/00/72/556500072.db2.gz YLSDCBXTZIUYGM-MYKKPKGFSA-N 0 0 434.254 6.066 40 30 IKEBRN C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408915765 556500621 /nfs/dbraw/zinc/50/06/21/556500621.db2.gz ZVHRGWINCRELOG-AJGXWLHTSA-N 0 0 440.568 6.364 40 30 IKEBRN CCOc1ccccc1/C=N/C(/N=C/c1ccccc1OCC)c1ccccc1OCC ZINC000015079610 556500630 /nfs/dbraw/zinc/50/06/30/556500630.db2.gz BBKUJNYJOGPTRZ-JUWMQZRYSA-N 0 0 430.548 6.120 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2cc(Cl)ccc2O)C(=O)N1C1CCCCC1 ZINC000408915774 556500791 /nfs/dbraw/zinc/50/07/91/556500791.db2.gz ZYKLNTLPHRXCMK-GCXIQGEKSA-N 0 0 440.996 6.545 40 30 IKEBRN CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(OCC)c1 ZINC000408916631 556501824 /nfs/dbraw/zinc/50/18/24/556501824.db2.gz YPPJUZYBTLWICN-WPWMEQJKSA-N 0 0 448.588 6.427 40 30 IKEBRN O=C1/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000408917063 556501997 /nfs/dbraw/zinc/50/19/97/556501997.db2.gz LSXORVRQPWTSDR-RINAVELBSA-N 0 0 439.880 5.645 40 30 IKEBRN N#Cc1c(/N=C/c2cc([N+](=O)[O-])ccc2Cl)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408918345 556502648 /nfs/dbraw/zinc/50/26/48/556502648.db2.gz JKZJXQVRJJFXFG-JFLMPSFJSA-N 0 0 427.847 6.797 40 30 IKEBRN Cc1ccc(SCC(=O)N2c3ccccc3NC3=C(C(=O)CCC3)[C@H]2c2ccco2)cc1 ZINC000030823025 556507061 /nfs/dbraw/zinc/50/70/61/556507061.db2.gz SXGNEADKCWLFAE-AREMUKBSSA-N 0 0 444.556 5.887 40 30 IKEBRN COc1ccc(C(=O)C(C(C)=O)=C(SCc2ccccc2)SCc2ccccc2)cc1 ZINC000015221031 556511803 /nfs/dbraw/zinc/51/18/03/556511803.db2.gz VGPOXRMRAHEYBR-UHFFFAOYSA-N 0 0 448.609 6.545 40 30 IKEBRN CC(C)(C)c1ccc(-c2cc(NC=C3C(=O)CC(C)(C)CC3=O)n(-c3ccccc3)n2)cc1 ZINC000408923244 556520853 /nfs/dbraw/zinc/52/08/53/556520853.db2.gz PDHJUWCXHHRNNT-UHFFFAOYSA-N 0 0 441.575 6.091 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc32)cc1 ZINC000408925213 556522134 /nfs/dbraw/zinc/52/21/34/556522134.db2.gz QMSWTBGATNKVQP-YZSQISJMSA-N 0 0 430.529 5.040 40 30 IKEBRN CCCN1C2=C(C(=O)CCC2)C(c2cc(Cl)c(OC)c(OCC)c2)C2=C1CCCC2=O ZINC000408927282 556522931 /nfs/dbraw/zinc/52/29/31/556522931.db2.gz VTLSBICFCRJYEQ-UHFFFAOYSA-N 0 0 443.971 5.571 40 30 IKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)C(=O)N1CC ZINC000408929913 556523218 /nfs/dbraw/zinc/52/32/18/556523218.db2.gz POOOSRNTCAHMRL-PHSRYYMBSA-N 0 0 446.572 5.740 40 30 IKEBRN CCN1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408930514 556523558 /nfs/dbraw/zinc/52/35/58/556523558.db2.gz YAMCUAMZGRVWIX-VLYZUMCXSA-N 0 0 441.984 5.660 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(CCCOC)C2=O)c2ccccc12 ZINC000408931514 556524192 /nfs/dbraw/zinc/52/41/92/556524192.db2.gz MQFZNJLCRXGSAK-DZNDYGJHSA-N 0 0 446.572 5.879 40 30 IKEBRN CCCCOC(=O)c1ccc(/N=C/c2cc(C)n(-c3ccc(C(=O)OC)cc3C)c2C)cc1 ZINC000408931352 556524542 /nfs/dbraw/zinc/52/45/42/556524542.db2.gz KLIUJTVJRUJHQX-OGLMXYFKSA-N 0 0 446.547 5.897 40 30 IKEBRN O=[N+]([O-])c1cccc(Cn2cc(/C=N/c3ccc(N4CCOCC4)cc3)c3ccccc32)c1 ZINC000408932115 556525470 /nfs/dbraw/zinc/52/54/70/556525470.db2.gz UFSRKKGTSSGUNF-WPWMEQJKSA-N 0 0 440.503 5.185 40 30 IKEBRN Clc1ccc(CN=Nc2nnc(N=NCc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000031670029 556525492 /nfs/dbraw/zinc/52/54/92/556525492.db2.gz MFKLZVQXLMLDEA-WFBNZKAHSA-N 0 0 435.318 5.829 40 30 IKEBRN Clc1ccc(CN=Nc2nnc(N=NCc3ccc(Cl)cc3)c3ccccc32)cc1 ZINC000031670030 556525551 /nfs/dbraw/zinc/52/55/51/556525551.db2.gz MFKLZVQXLMLDEA-KGRJIBJCSA-N 0 0 435.318 5.829 40 30 IKEBRN CC(=CN=Nc1nnc(N=NC=C(C)Cc2ccccc2)c2ccccc21)Cc1ccccc1 ZINC000031669988 556525559 /nfs/dbraw/zinc/52/55/59/556525559.db2.gz BPCYNUABEPJTQI-DIWKJPODSA-N 0 0 446.558 6.632 40 30 IKEBRN C=CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408934346 556526866 /nfs/dbraw/zinc/52/68/66/556526866.db2.gz AGKOMRFSYHGEMD-QNAAZPGRSA-N 0 0 440.974 7.482 40 30 IKEBRN COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408934445 556527201 /nfs/dbraw/zinc/52/72/01/556527201.db2.gz ATOABYCADJWBHR-GGJJYIGYSA-N 0 0 428.963 7.234 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(Sc3ccc(Cl)cc3)c([N+](=O)[O-])c2)cc1 ZINC000032116834 556532720 /nfs/dbraw/zinc/53/27/20/556532720.db2.gz DZBVOQRUOYQDQZ-MTJSOVHGSA-N 0 0 428.857 5.754 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408935909 556532760 /nfs/dbraw/zinc/53/27/60/556532760.db2.gz FDDKXLPPMMWZPV-DWZGDGSMSA-N 0 0 428.963 7.316 40 30 IKEBRN Cc1ccc(Sc2ccc(C=NNc3ccc(Br)cc3)cc2[N+](=O)[O-])cc1 ZINC000032125016 556534014 /nfs/dbraw/zinc/53/40/14/556534014.db2.gz BDFODTLLRNFQQF-XKZIYDEJSA-N 0 0 442.338 6.263 40 30 IKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408936386 556536806 /nfs/dbraw/zinc/53/68/06/556536806.db2.gz FUDCDNAHHZABAY-QNAAZPGRSA-N 0 0 442.990 7.706 40 30 IKEBRN CCCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@@H]4C=CC[C@H]43)cc2)cc1Cl ZINC000408936384 556536877 /nfs/dbraw/zinc/53/68/77/556536877.db2.gz FUDCDNAHHZABAY-BACCJKGJSA-N 0 0 442.990 7.706 40 30 IKEBRN C#CCOc1ccc(C2C3=C(CC(C)(C)CC3=O)NC3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000032193765 556537251 /nfs/dbraw/zinc/53/72/51/556537251.db2.gz RAGZYOLCJBYHIK-UHFFFAOYSA-N 0 0 437.967 5.325 40 30 IKEBRN C#CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc1Cl ZINC000408940347 556538080 /nfs/dbraw/zinc/53/80/80/556538080.db2.gz NVOMMVBBNMJINM-LNAYXSFYSA-N 0 0 438.958 6.929 40 30 IKEBRN O=C(NCCCC[C@H]1S/C(=N/c2ccccc2)N(c2ccccc2)C1=O)c1ccccc1 ZINC000032594719 556542164 /nfs/dbraw/zinc/54/21/64/556542164.db2.gz WDUYMQIMUDQAIO-ZKZPFDSASA-N 0 0 443.572 5.423 40 30 IKEBRN Cc1ccc(-c2csc(N=NCc3cccc(OC(=O)c4ccccc4F)c3)n2)cc1 ZINC000408948214 556547367 /nfs/dbraw/zinc/54/73/67/556547367.db2.gz CIUMOYATQMTFNZ-VULFUBBASA-N 0 0 431.492 5.923 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3ccc(-c4cc(Cl)ccc4C)o3)S2)cc1 ZINC000408951264 556548453 /nfs/dbraw/zinc/54/84/53/556548453.db2.gz IMIBQMOXCFTXLB-FYJGNVAPSA-N 0 0 438.936 6.199 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C#N)cc4)c3C)S2)cc1 ZINC000408951243 556548503 /nfs/dbraw/zinc/54/85/03/556548503.db2.gz IKKNMQKHDCFZEX-OEAKJJBVSA-N 0 0 442.544 5.256 40 30 IKEBRN CCN1C(=O)/C(=C/c2cccn2-c2ccc(OC)cc2)SC1=Nc1ccc(OC)cc1 ZINC000408952711 556550221 /nfs/dbraw/zinc/55/02/21/556550221.db2.gz MHMCUAQFGHZOQN-HNYZTYFESA-N 0 0 433.533 5.118 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(Cl)c(OCC)c(Cl)c3)S2)cc1 ZINC000408954309 556555969 /nfs/dbraw/zinc/55/59/69/556555969.db2.gz SKADWGSKKKLUQG-GZTJUZNOSA-N 0 0 437.348 5.682 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccccc4F)c3C)S2)cc1 ZINC000408954785 556557008 /nfs/dbraw/zinc/55/70/08/556557008.db2.gz VBXDNELWYZSCKO-HYARGMPZSA-N 0 0 435.524 5.524 40 30 IKEBRN COc1ccc(-n2cccc2/C=C2\SC(=Nc3ccc4ccccc4c3)N(C)C2=O)cc1 ZINC000408955710 556559596 /nfs/dbraw/zinc/55/95/96/556559596.db2.gz YQUXIAHAVRSGMA-SIFMURAYSA-N 0 0 439.540 5.873 40 30 IKEBRN Cc1cc(N2CCCC2)ccc1/C=C1\SC(=Nc2ccccc2)N(C[C@@H]2CCCO2)C1=O ZINC000408960273 556563094 /nfs/dbraw/zinc/56/30/94/556563094.db2.gz KNLHNANFGSPBBV-BXYLNGANSA-N 0 0 447.604 5.378 40 30 IKEBRN CN(C)c1ccc(-n2cccc2/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1 ZINC000408961313 556563947 /nfs/dbraw/zinc/56/39/47/556563947.db2.gz RJMZKLLSEDASHN-XOLKAKTPSA-N 0 0 436.968 5.431 40 30 IKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408961900 556565972 /nfs/dbraw/zinc/56/59/72/556565972.db2.gz PGSWHXOQMSKALH-FYJGNVAPSA-N 0 0 449.463 5.205 40 30 IKEBRN COc1ccc(Cl)cc1NC(=O)c1c(/N=C\c2ccncc2)sc2c1CCCC2 ZINC000015945611 556566826 /nfs/dbraw/zinc/56/68/26/556566826.db2.gz AHNBDHRWQSJQSB-MXAYSNPKSA-N 0 0 425.941 5.687 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=C2\SC(=Nc3ccc(F)cc3)N(CC)C2=O)c1C ZINC000408964247 556570467 /nfs/dbraw/zinc/57/04/67/556570467.db2.gz CKSPKPWDCODEOE-VYYDMKJGSA-N 0 0 447.579 6.420 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 ZINC000034392809 556572812 /nfs/dbraw/zinc/57/28/12/556572812.db2.gz PMBSWZWCNKVWLV-KOKWGBNISA-N 0 0 442.684 7.139 40 30 in-vitro IKEBRN Cc1cccc(-n2cccc2/C=C2/SC(=Nc3cccc(Cl)c3Cl)NC2=O)c1 ZINC000408966714 556575721 /nfs/dbraw/zinc/57/57/21/556575721.db2.gz QCGNAFCYVSXZGP-LDADJPATSA-N 0 0 428.344 5.984 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3cn(Cc4ccccc4C#N)c4ccccc34)S2)cc1 ZINC000408966889 556575728 /nfs/dbraw/zinc/57/57/28/556575728.db2.gz RBQHEZHXFATEBQ-AFUMVMLFSA-N 0 0 448.551 5.761 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)S2)cc1 ZINC000408966517 556575733 /nfs/dbraw/zinc/57/57/33/556575733.db2.gz OYPAEPWCPJYANC-OEAKJJBVSA-N 0 0 445.588 5.920 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc(OCC)c1OCC ZINC000408965656 556577593 /nfs/dbraw/zinc/57/75/93/556577593.db2.gz WXPLVGUUMLGBKO-RCCKNPSSSA-N 0 0 438.549 5.113 40 30 IKEBRN CC(C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Br ZINC000408965837 556577620 /nfs/dbraw/zinc/57/76/20/556577620.db2.gz MKXAONPEIWVPJI-LICLKQGHSA-N 0 0 435.318 5.267 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3C#N)S2)cc1 ZINC000408966163 556578942 /nfs/dbraw/zinc/57/89/42/556578942.db2.gz NBEXBVZVSVUMNO-OEAKJJBVSA-N 0 0 425.513 5.337 40 30 IKEBRN C=CCOc1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408969974 556582514 /nfs/dbraw/zinc/58/25/14/556582514.db2.gz YBGQPSDUIALVSQ-TURZUDJPSA-N 0 0 444.600 6.975 40 30 IKEBRN CCn1c2cc(Br)c(Br)cc2nc1/N=C/c1ccc(C)cc1O ZINC000016162788 556586706 /nfs/dbraw/zinc/58/67/06/556586706.db2.gz POLIJOPXLYOJFM-AWQFTUOYSA-N 0 0 437.135 5.346 40 30 IKEBRN N#Cc1ccccc1COc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F ZINC000408970520 556588168 /nfs/dbraw/zinc/58/81/68/556588168.db2.gz ASYHHXSMPSIWID-STZFKDTASA-N 0 0 447.416 5.486 40 30 IKEBRN COCc1cc(C)nc(N=NCc2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)c1C#N ZINC000016267788 556595848 /nfs/dbraw/zinc/59/58/48/556595848.db2.gz MRJYEMLNNMJFNB-NCAUGAEKSA-N 0 0 448.832 5.786 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3ccc(F)cc3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000016268381 556596034 /nfs/dbraw/zinc/59/60/34/556596034.db2.gz PKOYJLPSDKGFEU-NDENLUEZSA-N 0 0 425.916 5.778 40 30 IKEBRN Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=S)Nc1ccccc1 ZINC000016268175 556596038 /nfs/dbraw/zinc/59/60/38/556596038.db2.gz HFAPXJGJRKJOFS-LJQANCHMSA-N 0 0 426.372 6.766 40 30 IKEBRN COc1cc(Br)cc(/C=N/c2ccc(NC(=O)c3ccccc3)c(C)c2)c1O ZINC000016282668 556596801 /nfs/dbraw/zinc/59/68/01/556596801.db2.gz OWVIPQTUHDJBCK-ZMOGYAJESA-N 0 0 439.309 5.475 40 30 IKEBRN Cc1ccc(/N=C/C2=C(c3ccccc3)Oc3ccccc3[C@@H]2c2ccccc2C)c(C)c1 ZINC000016284697 556597413 /nfs/dbraw/zinc/59/74/13/556597413.db2.gz WWKCWJDSPSBYRA-PLFABGOGSA-N 0 0 429.563 7.950 40 30 IKEBRN Cc1ccc(/N=C(\c2ccccc2)[C@@H]2SC(=N)N(c3ccccc3)[C@@H]2c2ccccc2)cc1 ZINC000016291572 556597933 /nfs/dbraw/zinc/59/79/33/556597933.db2.gz BJWFNANIWVLDLW-JSVGDTRTSA-N 0 0 447.607 7.414 40 30 IKEBRN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccccc2[N+](=O)[O-])C(=O)N1c1ccccc1 ZINC000016349935 556602073 /nfs/dbraw/zinc/60/20/73/556602073.db2.gz RXBCIGASJUHXSO-PSYZWBJOSA-N 0 0 429.501 6.020 40 30 IKEBRN O=C(Nc1ccc(/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1)c1ccco1 ZINC000016430185 556607278 /nfs/dbraw/zinc/60/72/78/556607278.db2.gz BKTXIHFTJPBCNB-ZVHZXABRSA-N 0 0 435.277 6.305 40 30 IKEBRN Cc1cccc(C)c1/N=C1\S/C(=C\c2ccc(N(C)C)cc2)C(=O)N1c1ccccc1 ZINC000408973343 556611869 /nfs/dbraw/zinc/61/18/69/556611869.db2.gz LVKSRBBFVDQHEI-KFLOGIKRSA-N 0 0 427.573 6.178 40 30 IKEBRN NC1=C(c2nc(-c3ccccc3)cs2)[C@@H](c2ccc([N+](=O)[O-])cc2)C2=C(CCCC2=O)O1 ZINC000016493307 556612737 /nfs/dbraw/zinc/61/27/37/556612737.db2.gz HCIXTRIMNIKJHO-FQEVSTJZSA-N 0 0 445.500 5.167 40 30 IKEBRN CN(C)c1ccc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCCCC3)cc1 ZINC000408974137 556614730 /nfs/dbraw/zinc/61/47/30/556614730.db2.gz XSTWADUTHQGSHK-OVVQPSECSA-N 0 0 431.605 6.476 40 30 IKEBRN COc1cccc(CN=Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)c1OC ZINC000408974850 556615676 /nfs/dbraw/zinc/61/56/76/556615676.db2.gz HMCNYSOSNUPJPM-JVWAILMASA-N 0 0 443.572 6.557 40 30 IKEBRN CC1(C)CC(=O)C2=C(C1)Nc1sc(C#N)c(N)c1[C@@H]2c1ccc(Br)cc1 ZINC000016578000 556616431 /nfs/dbraw/zinc/61/64/31/556616431.db2.gz STVCYNGBMOYEKD-OAHLLOKOSA-N 0 0 428.355 5.165 40 30 IKEBRN CCCCCCOc1ccc(C(=NOC(=O)Nc2ccccc2)c2ccccc2)c(O)c1 ZINC000016638257 556619262 /nfs/dbraw/zinc/61/92/62/556619262.db2.gz IULLHUVNUOPKRZ-AZPGRJICSA-N 0 0 432.520 6.352 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224372381 556621701 /nfs/dbraw/zinc/62/17/01/556621701.db2.gz LYAVNWHXFZGCTE-UHFFFAOYSA-N 0 0 440.952 5.282 40 30 IKEBRN C=CCN(c1ccc(C(=O)Nc2c(C)cccc2CC)cc1)S(=O)(=O)c1ccccc1 ZINC000224373947 556622012 /nfs/dbraw/zinc/62/20/12/556622012.db2.gz QOSLQOXNKYDXPT-UHFFFAOYSA-N 0 0 434.561 5.191 40 30 IKEBRN N#Cc1c(/N=C\c2ccccc2Br)sc(-c2ccccc2)c1-c1ccccc1 ZINC000016675992 556622327 /nfs/dbraw/zinc/62/23/27/556622327.db2.gz HVJZZDGWXGOSTM-YUMHPJSZSA-N 0 0 443.369 7.467 40 30 IKEBRN C=CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccccc1 ZINC000224378317 556622341 /nfs/dbraw/zinc/62/23/41/556622341.db2.gz XZQZAXHHVZOPSO-NRFANRHFSA-N 0 0 448.588 5.176 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 ZINC000016689092 556626980 /nfs/dbraw/zinc/62/69/80/556626980.db2.gz DNLPTJIKCJRVJP-AFUMVMLFSA-N 0 0 428.301 6.317 40 30 IKEBRN C=CCN(Cc1ccc(C(=O)Nc2ccccc2CC)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224477429 556628420 /nfs/dbraw/zinc/62/84/20/556628420.db2.gz UABFTOYCYSHDRO-UHFFFAOYSA-N 0 0 448.588 5.187 40 30 IKEBRN C=CCN(Cc1ccc(C(=O)Nc2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000224477129 556628638 /nfs/dbraw/zinc/62/86/38/556628638.db2.gz CKAGDTCPXULITH-UHFFFAOYSA-N 0 0 448.588 5.241 40 30 IKEBRN CCc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)cc2c1 ZINC000013503471 556630574 /nfs/dbraw/zinc/63/05/74/556630574.db2.gz KBHKTYLQNCQPKW-UHFFFAOYSA-N 0 0 432.574 5.212 40 30 IKEBRN CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]2C1 ZINC000033831795 556638721 /nfs/dbraw/zinc/63/87/21/556638721.db2.gz UKAIYBGRLWQHDQ-VLZFSBLWSA-N 0 0 440.712 7.348 40 30 biogenic,in-vitro IKEBRN Cc1cc(NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)c(Cl)c(Cl)c1O ZINC000016807747 556644460 /nfs/dbraw/zinc/64/44/60/556644460.db2.gz BJBRFEJGRACDEL-UHFFFAOYSA-N 0 0 435.332 5.255 40 30 IKEBRN Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)/C=C/c1ccccc1 ZINC000016957596 556650645 /nfs/dbraw/zinc/65/06/45/556650645.db2.gz DDJHJUVZEFZWQV-ISLYRVAYSA-N 0 0 447.563 6.867 40 30 in-vivo IKEBRN O=[N+]([O-])c1ccc(N=NC2=C(Cl)C(c3ccccc3)[C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000017044839 556654013 /nfs/dbraw/zinc/65/40/13/556654013.db2.gz KNFNODSXKGDCHS-IBGRPIGGSA-N 0 0 448.866 6.109 40 30 IKEBRN COc1ccc(/N=C2/NC(=O)/C(=C/c3cc(C)n(-c4ccc(Cl)cc4)c3C)S2)cc1 ZINC000083261805 556662809 /nfs/dbraw/zinc/66/28/09/556662809.db2.gz FKVRRMCOCJMSAB-BKUYFWCQSA-N 0 0 437.952 5.648 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000083293084 556662829 /nfs/dbraw/zinc/66/28/29/556662829.db2.gz IARVIZJAOAONQB-HAHDFKILSA-N 0 0 448.519 5.695 40 30 IKEBRN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCc1ccc(F)cc1 ZINC000083299342 556663131 /nfs/dbraw/zinc/66/31/31/556663131.db2.gz FJRNGQCLICRDAM-MXAYSNPKSA-N 0 0 443.862 5.811 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3cccc(Cl)c3Cl)NC2=O)c(C)n1-c1ccccc1 ZINC000083309720 556663483 /nfs/dbraw/zinc/66/34/83/556663483.db2.gz BQDRNGQCCACKBX-UNOMPAQXSA-N 0 0 442.371 6.293 40 30 IKEBRN Cc1cc(/C=C2/S/C(=N/c3cccc(C)c3)NC2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000083309831 556663544 /nfs/dbraw/zinc/66/35/44/556663544.db2.gz FTHXXDRBIMGXCR-CIAFOILYSA-N 0 0 432.505 5.202 40 30 IKEBRN C=CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224937452 556665011 /nfs/dbraw/zinc/66/50/11/556665011.db2.gz WHUXVVDZDBCOLS-UHFFFAOYSA-N 0 0 448.371 5.954 40 30 IKEBRN C=CCN(c1ccc(Br)c(C)c1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000224937081 556665045 /nfs/dbraw/zinc/66/50/45/556665045.db2.gz NWNOBPOOVHXJPR-UHFFFAOYSA-N 0 0 435.170 5.446 40 30 IKEBRN CCCCCCC(=CCc1ccc(Cl)c(Cl)c1)N=Nc1c(Cl)cccc1Cl ZINC000017107678 556667637 /nfs/dbraw/zinc/66/76/37/556667637.db2.gz RMSMBWQZZQVPFL-IEZHFZQESA-N 0 0 444.233 8.752 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1C ZINC000408983863 556667772 /nfs/dbraw/zinc/66/77/72/556667772.db2.gz DPVOIQUBRBHIAH-STZFKDTASA-N 0 0 436.621 6.496 40 30 IKEBRN O=C(N=C(NC(=Nc1ccc(Cl)cc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000017123582 556668591 /nfs/dbraw/zinc/66/85/91/556668591.db2.gz BXUYSMARAAENFO-UHFFFAOYSA-N 0 0 437.930 6.486 40 30 IKEBRN C=CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225060403 556677049 /nfs/dbraw/zinc/67/70/49/556677049.db2.gz DNTJZKZNFIMGLF-UHFFFAOYSA-N 0 0 425.859 5.893 40 30 IKEBRN Clc1cccc(Cl)c1/C=N/N1CCN(/N=C\c2c(Cl)cccc2Cl)CC1 ZINC000017422792 556677056 /nfs/dbraw/zinc/67/70/56/556677056.db2.gz FWAVDYMDHKDANB-QEUMEHMPSA-N 0 0 430.166 5.286 40 30 IKEBRN C=CCN(c1ccc(Cl)c(C(=O)OCC)c1)S(=O)(=O)c1ccc2ccccc2c1 ZINC000225066530 556677094 /nfs/dbraw/zinc/67/70/94/556677094.db2.gz JHFRGASRTROWBD-UHFFFAOYSA-N 0 0 429.925 5.051 40 30 IKEBRN Clc1cccc(CN=Nc2nnc(N=NCc3cccc(Cl)c3)c3ccccc32)c1 ZINC000017418732 556677216 /nfs/dbraw/zinc/67/72/16/556677216.db2.gz CYKZGUGAOIRLRS-BKHCZYBLSA-N 0 0 435.318 5.829 40 30 IKEBRN CC[C@H]1CCC(N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccc3c(C)ccc(C)c3c21 ZINC000017991544 556681325 /nfs/dbraw/zinc/68/13/25/556681325.db2.gz ZASYPLFQBLFUIG-QBTWCYAOSA-N 0 0 432.480 6.377 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408758981 556681581 /nfs/dbraw/zinc/68/15/81/556681581.db2.gz VXVIHVBAWOMJDT-JMIUGGIZSA-N 0 0 442.371 6.293 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408758640 556681629 /nfs/dbraw/zinc/68/16/29/556681629.db2.gz OHVJIZUMSNKHHP-JAIQZWGSSA-N 0 0 442.371 6.293 40 30 IKEBRN C=CCOc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1 ZINC000225342726 556682156 /nfs/dbraw/zinc/68/21/56/556682156.db2.gz CLPBNSHVURBZMY-UHFFFAOYSA-N 0 0 427.422 5.778 40 30 IKEBRN COc1cc(C#N)cc(I)c1OCc1ccc(Cl)cc1Cl ZINC000226364225 556685027 /nfs/dbraw/zinc/68/50/27/556685027.db2.gz WFRSAGDKHNABDH-UHFFFAOYSA-N 0 0 434.060 5.057 40 30 IKEBRN Cc1cc(/N=C\[C@@H](C#N)c2ccc(/C(C#N)=N\c3ccc(N(C)C)cc3)cc2)cc(C)c1N=O ZINC000018210009 556686933 /nfs/dbraw/zinc/68/69/33/556686933.db2.gz ICDYXACODOPILD-VRPNZLASSA-N 0 0 448.530 6.421 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(Sc2ccccc2)o1 ZINC000408760432 556687247 /nfs/dbraw/zinc/68/72/47/556687247.db2.gz YOZXBXANCHAXNP-BOPFTXTBSA-N 0 0 447.368 6.629 40 30 IKEBRN CCOc1cc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)ccc1O ZINC000408761588 556687831 /nfs/dbraw/zinc/68/78/31/556687831.db2.gz GPBZOMJTQVYCRO-YVLHZVERSA-N 0 0 447.354 5.062 40 30 IKEBRN O=C(Oc1ccc(/C=C2\SC(=Nc3ccccc3)NC2=O)cc1)c1cccc(Cl)c1 ZINC000408761438 556687860 /nfs/dbraw/zinc/68/78/60/556687860.db2.gz FHZADNUHSHIVBT-MOSHPQCFSA-N 0 0 434.904 5.451 40 30 IKEBRN CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000170414906 556692589 /nfs/dbraw/zinc/69/25/89/556692589.db2.gz FHJJNUQUONLMAD-QHCPKHFHSA-N 0 0 435.564 5.378 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)c1C ZINC000408987816 556693249 /nfs/dbraw/zinc/69/32/49/556693249.db2.gz YSAOKZKTJVYPPB-STZFKDTASA-N 0 0 436.621 6.496 40 30 IKEBRN CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Cl)c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 ZINC000000811240 556698017 /nfs/dbraw/zinc/69/80/17/556698017.db2.gz DAQQPSMGULWCMY-NTKDMRAZSA-N 0 0 435.951 5.653 40 30 IKEBRN N#Cc1c2c(sc1NC(=O)CSc1nc3ccccc3o1)C[C@@H](c1ccccc1)CC2 ZINC000261527066 556698815 /nfs/dbraw/zinc/69/88/15/556698815.db2.gz YFPHPUYRLVSZIV-INIZCTEOSA-N 0 0 445.569 5.764 40 30 IKEBRN N#Cc1ccc(-c2ccccc2Cl)nc1SCC(=O)Nc1cccc2ncccc21 ZINC000261526848 556698840 /nfs/dbraw/zinc/69/88/40/556698840.db2.gz NDFDAUCGQHAYDJ-UHFFFAOYSA-N 0 0 430.920 5.553 40 30 IKEBRN COc1cc(OC)c(NC(=O)CSc2nc(-c3ccccc3)ccc2C#N)cc1Cl ZINC000261526675 556698851 /nfs/dbraw/zinc/69/88/51/556698851.db2.gz GMWTUMSDWHKOQC-UHFFFAOYSA-N 0 0 439.924 5.022 40 30 IKEBRN Cc1ccc(N2C(=O)C[C@H](Sc3nc(C(C)(C)C)cc(C(F)(F)F)c3C#N)C2=O)cc1 ZINC000261526538 556698861 /nfs/dbraw/zinc/69/88/61/556698861.db2.gz AAOXEVPNWFSATE-INIZCTEOSA-N 0 0 447.482 5.002 40 30 IKEBRN CC1=C(C(=O)OC(C)C)[C@H](c2ccc(Br)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000000820511 556699418 /nfs/dbraw/zinc/69/94/18/556699418.db2.gz QPHQPYVLDBBADF-IBGZPJMESA-N 0 0 432.358 5.005 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)S2)c1 ZINC000408993814 556709516 /nfs/dbraw/zinc/70/95/16/556709516.db2.gz WVHPWIZGEREKLS-PDGQHHTCSA-N 0 0 449.582 6.241 40 30 IKEBRN N#CCOc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1Br ZINC000409000320 556710338 /nfs/dbraw/zinc/71/03/38/556710338.db2.gz VJSCJULFELQKEY-UHFFFAOYSA-N 0 0 444.354 5.388 40 30 IKEBRN CCCCCCCOc1ccccc1/C=C1\N=C(c2ccc(OCCCC)cc2)OC1=O ZINC000409002870 556712242 /nfs/dbraw/zinc/71/22/42/556712242.db2.gz BXKIWLSKYSGYOL-GFMRDNFCSA-N 0 0 435.564 6.559 40 30 IKEBRN O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1c(F)cccc1F ZINC000409009995 556714604 /nfs/dbraw/zinc/71/46/04/556714604.db2.gz AWYIDTWRDSCZHD-LGJNPRDNSA-N 0 0 435.455 5.754 40 30 IKEBRN Oc1ccc(Br)cc1/C=N/c1c(-c2ccc3ccccc3c2)nc2ccccn21 ZINC000013712062 556715216 /nfs/dbraw/zinc/71/52/16/556715216.db2.gz SZIVGTACOXHNSB-CVKSISIWSA-N 0 0 442.316 6.373 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(CC)C2=O)cc1Cl ZINC000409013122 556715840 /nfs/dbraw/zinc/71/58/40/556715840.db2.gz SUYVZEYOFOSYTF-IXJADQOWSA-N 0 0 449.403 6.795 40 30 IKEBRN CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(N(C)C)cc2)C2=C(CC(C)(C)CC2=O)N1 ZINC000019228278 556717476 /nfs/dbraw/zinc/71/74/76/556717476.db2.gz PTECIZRFUPKROG-RUZDIDTESA-N 0 0 444.575 5.100 40 30 IKEBRN Clc1cc(/N=C/c2cccn2-c2cccc(Br)c2)ccc1Br ZINC000409015045 556719303 /nfs/dbraw/zinc/71/93/03/556719303.db2.gz RNABTCPEXDGRON-SRZZPIQSSA-N 0 0 438.550 6.406 40 30 IKEBRN C=C(C)Cn1c(SCC(=O)c2ccc(OC)cc2)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000000856384 556722510 /nfs/dbraw/zinc/72/25/10/556722510.db2.gz NPZNDXRSJVYKQB-UHFFFAOYSA-N 0 0 435.593 5.802 40 30 IKEBRN COc1cc(Br)cc(/C=N/c2ccc(-c3nc4cc(C)ccc4o3)cc2)c1O ZINC000000859577 556723093 /nfs/dbraw/zinc/72/30/93/556723093.db2.gz BNEMAUVSJMKIMZ-WYMPLXKRSA-N 0 0 437.293 6.031 40 30 IKEBRN CCOc1ccc(N=C2S/C(=C\c3cccc(OC)c3OC(C)C)C(=O)N2C)cc1 ZINC000409021285 556723667 /nfs/dbraw/zinc/72/36/67/556723667.db2.gz ZYBXGVKKBVTBDH-KWKLDLJFSA-N 0 0 426.538 5.115 40 30 IKEBRN CN1C(=O)/C(=C/c2cccn2-c2ccc(O)cc2)SC1=Nc1ccc2ccccc2c1 ZINC000409024390 556724953 /nfs/dbraw/zinc/72/49/53/556724953.db2.gz XQIUKUIRRMRSGA-ZYITZIQLSA-N 0 0 425.513 5.570 40 30 IKEBRN C=CCOc1cccc(/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(C)=C2C(=O)OC)c1 ZINC000409024335 556724966 /nfs/dbraw/zinc/72/49/66/556724966.db2.gz QRMASWLBHFAAOH-MOSHPQCFSA-N 0 0 443.421 5.147 40 30 IKEBRN COC(=O)c1cc(-c2ccc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)o2)ccc1Cl ZINC000409030302 556728358 /nfs/dbraw/zinc/72/83/58/556728358.db2.gz FFSUMJLDQXZKLS-JRXWSOMVSA-N 0 0 446.706 5.101 40 30 IKEBRN CC(C)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)SC1=S ZINC000409030434 556728667 /nfs/dbraw/zinc/72/86/67/556728667.db2.gz DFYKTJQLFHJPTH-JMIUGGIZSA-N 0 0 442.993 5.648 40 30 IKEBRN O=C1CCCC2=C1C(c1cc(Cl)ccc1O)C1=C(CCCC1=O)N2Cc1ccccc1 ZINC000409034655 556743683 /nfs/dbraw/zinc/74/36/83/556743683.db2.gz ICFLVIXLYFKFJX-UHFFFAOYSA-N 0 0 433.935 5.659 40 30 IKEBRN COc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)ccc1OCc1cccc(F)c1 ZINC000409035196 556744382 /nfs/dbraw/zinc/74/43/82/556744382.db2.gz JDXBSKFDMFMVTC-WPDGFUPNSA-N 0 0 442.306 5.127 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)o2)c(Cl)c1 ZINC000409037410 556747394 /nfs/dbraw/zinc/74/73/94/556747394.db2.gz NMODAFXBBOSKGK-OUBWWKSTSA-N 0 0 433.667 5.222 40 30 IKEBRN C#CCn1c(C)c(/C=C2\C(=O)N(c3c(F)c(F)c(F)c(F)c3F)N=C2C)c2ccccc21 ZINC000409038132 556748399 /nfs/dbraw/zinc/74/83/99/556748399.db2.gz DREMPLXYSVLALS-UVTDQMKNSA-N 0 0 443.375 5.085 40 30 IKEBRN Fc1ccccc1Cn1cc(/C=N/NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc21 ZINC000409042213 556749718 /nfs/dbraw/zinc/74/97/18/556749718.db2.gz BVLSTIGUSGZXJY-HIUVJMHLSA-N 0 0 435.318 5.543 40 30 IKEBRN Cc1c(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2cccc(C)c2n1Cc1ccccc1 ZINC000409042338 556749834 /nfs/dbraw/zinc/74/98/34/556749834.db2.gz KGVOKOUQGQANNL-KYMQWJLESA-N 0 0 445.382 6.020 40 30 IKEBRN Cc1cc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409042928 556749874 /nfs/dbraw/zinc/74/98/74/556749874.db2.gz LPLYWXNIEIALDF-JAHAZDFLSA-N 0 0 440.319 5.025 40 30 IKEBRN COc1cc(/C=C2\SC(=S)N(CC(C)C)C2=O)ccc1OCc1ccccc1C#N ZINC000409039290 556750138 /nfs/dbraw/zinc/75/01/38/556750138.db2.gz RCTDNSVUCCFFFQ-NHDPSOOVSA-N 0 0 438.574 5.003 40 30 IKEBRN COc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409044747 556755111 /nfs/dbraw/zinc/75/51/11/556755111.db2.gz HORHWRABRJCWLV-ZMOGYAJESA-N 0 0 439.855 5.025 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc43)c(OC)c2)C1=O ZINC000409044463 556755160 /nfs/dbraw/zinc/75/51/60/556755160.db2.gz CNQKKRSERDOGST-HZHRSRAPSA-N 0 0 429.497 5.097 40 30 IKEBRN CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000001531014 556756711 /nfs/dbraw/zinc/75/67/11/556756711.db2.gz DOMWKUIIPQCAJU-FQKQELJYSA-N 0 0 428.613 5.970 40 30 IKEBRN Cc1ccc(-c2csc(N=NC(C)c3ccc(OC(=O)c4ccccc4)cc3)n2)cc1 ZINC000409053089 556757742 /nfs/dbraw/zinc/75/77/42/556757742.db2.gz XCUAYVXGJJKKLA-OVVQPSECSA-N 0 0 427.529 6.174 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000409053763 556757990 /nfs/dbraw/zinc/75/79/90/556757990.db2.gz PFYJJAGFYOXPAZ-WQRHYEAKSA-N 0 0 448.396 5.715 40 30 IKEBRN COc1ccc(-n2c(C)cc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2C)cc1Cl ZINC000409065426 556761000 /nfs/dbraw/zinc/76/10/00/556761000.db2.gz SBUJWWZMIRBXEO-SSDVNMTOSA-N 0 0 443.847 5.019 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C1=O ZINC000409065769 556761441 /nfs/dbraw/zinc/76/14/41/556761441.db2.gz NCPFKANMAGBANA-CPNJWEJPSA-N 0 0 429.925 5.540 40 30 IKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N/c2sc3c(c2C#N)CCCC3)cc1 ZINC000409066087 556761972 /nfs/dbraw/zinc/76/19/72/556761972.db2.gz VMUAKUDKWHUFIF-JFLMPSFJSA-N 0 0 445.544 5.275 40 30 IKEBRN O=C(Nc1ccccc1)c1c2c(sc1/N=C/c1ccc(N3CCCCC3)cc1)CCCC2 ZINC000409060393 556768319 /nfs/dbraw/zinc/76/83/19/556768319.db2.gz RKOFFMOPRLUKQC-TURZUDJPSA-N 0 0 443.616 6.620 40 30 IKEBRN Cc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C#N)c(Br)c1 ZINC000001223964 556769067 /nfs/dbraw/zinc/76/90/67/556769067.db2.gz TZDQGUPPHXASNF-UHFFFAOYSA-N 0 0 440.366 5.525 40 30 IKEBRN C=CCOc1c(CC=C)cc(C2C3=C(CCCC3=O)N(C)C3=C2C(=O)CCC3)cc1OC ZINC000409067643 556771747 /nfs/dbraw/zinc/77/17/47/556771747.db2.gz QHDWYGZOUNHLEY-UHFFFAOYSA-N 0 0 433.548 5.032 40 30 IKEBRN CCn1c(C)cc(/C=C2\SC(=Nc3ccccc3)N(CCCc3ccccc3)C2=O)c1C ZINC000409067777 556771916 /nfs/dbraw/zinc/77/19/16/556771916.db2.gz REJQFTCPVWEQKZ-PAPBZEPUSA-N 0 0 443.616 6.362 40 30 IKEBRN C=CCc1cc(C2C3=C(CCCC3=O)N(CC)C3=C2C(=O)CCC3)cc(OC)c1OCCC ZINC000409067870 556772247 /nfs/dbraw/zinc/77/22/47/556772247.db2.gz DKLDSKAWZPTHMU-UHFFFAOYSA-N 0 0 449.591 5.646 40 30 IKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCc1cccc(F)c1 ZINC000409068512 556773831 /nfs/dbraw/zinc/77/38/31/556773831.db2.gz SXGUENSCQMBQEC-JVWAILMASA-N 0 0 434.467 6.191 40 30 IKEBRN N#Cc1c2c(sc1NC(=O)CSc1ncccc1-c1nc3ccccc3[nH]1)CCCC2 ZINC000001329258 556773922 /nfs/dbraw/zinc/77/39/22/556773922.db2.gz UQBDSVMAPNZIAG-UHFFFAOYSA-N 0 0 445.573 5.168 40 30 IKEBRN CN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)SC1=Nc1ccccc1 ZINC000409071860 556774506 /nfs/dbraw/zinc/77/45/06/556774506.db2.gz QETJQGXHABHTOP-XOLKAKTPSA-N 0 0 436.989 6.725 40 30 IKEBRN C=CCc1cc(/C=N/c2ccc([N+](=O)[O-])cc2)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409072500 556774799 /nfs/dbraw/zinc/77/47/99/556774799.db2.gz VRKYNTFEMWGDMC-CVKSISIWSA-N 0 0 436.895 6.315 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OC)c1OCc1ccc(C)cc1 ZINC000409073670 556776108 /nfs/dbraw/zinc/77/61/08/556776108.db2.gz WUBMHDLYGGUMCP-PXLXIMEGSA-N 0 0 435.545 5.533 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)C1=O ZINC000409074411 556776112 /nfs/dbraw/zinc/77/61/12/556776112.db2.gz QYMYDYDTYXDZRY-XDHOZWIPSA-N 0 0 447.915 5.679 40 30 IKEBRN Clc1ccc(COc2cccc(C=NNc3nc4ccccc4s3)c2)cc1Cl ZINC000409074260 556776116 /nfs/dbraw/zinc/77/61/16/556776116.db2.gz SREAWXVQWPQCSY-WYMPLXKRSA-N 0 0 428.344 6.628 40 30 IKEBRN Cc1cc(N2CCCC2)ccc1/C=N/c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000409073918 556776141 /nfs/dbraw/zinc/77/61/41/556776141.db2.gz UNXNITPYXIBUGP-MTDXEUNCSA-N 0 0 443.616 6.538 40 30 IKEBRN FC(F)(F)c1ccc(NN=Cc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)nc1 ZINC000409076073 556776910 /nfs/dbraw/zinc/77/69/10/556776910.db2.gz XKSAINONQQVRMD-YPXUMCKCSA-N 0 0 440.252 6.432 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cccc(OCc2ccc(Br)cc2)c1 ZINC000409078273 556779004 /nfs/dbraw/zinc/77/90/04/556779004.db2.gz HQQNZDTUVFGJHV-KGENOOAVSA-N 0 0 434.289 5.373 40 30 IKEBRN COc1cccc(/C=N/c2sc3c(c2C#N)CCCC3)c1OCc1ccc(Cl)cc1 ZINC000409078362 556779293 /nfs/dbraw/zinc/77/92/93/556779293.db2.gz BTYNEGIUAVZOJC-MZJWZYIUSA-N 0 0 436.964 6.490 40 30 IKEBRN N#CCn1cc(/C=N\c2sc3c(c2C(=O)NCc2ccco2)CCCC3)c2ccccc21 ZINC000409079232 556784454 /nfs/dbraw/zinc/78/44/54/556784454.db2.gz AHCZDSLOHLLLKT-MUXKCCDJSA-N 0 0 442.544 5.379 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(I)o3)sc2C1 ZINC000409081261 556787497 /nfs/dbraw/zinc/78/74/97/556787497.db2.gz KFRJIJZZYRMWRO-OHBSIKEHSA-N 0 0 438.334 5.719 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000409079552 556787821 /nfs/dbraw/zinc/78/78/21/556787821.db2.gz KWYAKCPOTIQKDW-ZHZULCJRSA-N 0 0 434.289 5.373 40 30 IKEBRN C=CCc1cc(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc(OC)c1O ZINC000409082185 556789471 /nfs/dbraw/zinc/78/94/71/556789471.db2.gz RKYZOWQMVVKFEU-LQLRGMOSSA-N 0 0 442.540 5.938 40 30 IKEBRN CC(C)Oc1ccc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc12 ZINC000409083083 556789775 /nfs/dbraw/zinc/78/97/75/556789775.db2.gz UTXAXDUEPHTONW-MQRLXVCBSA-N 0 0 430.617 7.462 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(/N=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)sc2C1 ZINC000409083531 556790212 /nfs/dbraw/zinc/79/02/12/556790212.db2.gz VFMJPPIUKBXISY-JOBSNELWSA-N 0 0 433.533 6.690 40 30 IKEBRN CCOC(=O)Cn1cc(/C=N/c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c2ccccc21 ZINC000409083465 556790314 /nfs/dbraw/zinc/79/03/14/556790314.db2.gz VLDHTKAMZQMTKS-UETRGQPKSA-N 0 0 447.604 6.039 40 30 IKEBRN CCCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000409083978 556790344 /nfs/dbraw/zinc/79/03/44/556790344.db2.gz LZIDAEAYILASHW-ACWMPWAISA-N 0 0 448.975 6.937 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2cc(Cl)ccc2OCC)SC1=Nc1ccccc1 ZINC000409085708 556790512 /nfs/dbraw/zinc/79/05/12/556790512.db2.gz FOXCZLHSZQUQER-OIBHPTRJSA-N 0 0 430.957 5.379 40 30 IKEBRN CCCN1C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)S/C1=N/c1ccc(Cl)cc1 ZINC000409086446 556790699 /nfs/dbraw/zinc/79/06/99/556790699.db2.gz ZPUHAVFJNDXZHY-TWDJDDHFSA-N 0 0 443.012 6.794 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccccc3OCc3ccc(F)cc3)sc2C1 ZINC000409086378 556790760 /nfs/dbraw/zinc/79/07/60/556790760.db2.gz ZJPGKWAOUVGCSM-OSGIAPPUSA-N 0 0 446.591 7.239 40 30 IKEBRN COc1ccccc1/C=N\c1sc2c(c1C(=O)Nc1ccccc1)CC[C@H](C(C)(C)C)C2 ZINC000409086639 556790798 /nfs/dbraw/zinc/79/07/98/556790798.db2.gz RGEXIKQOAWZCEV-JTOGBTRBSA-N 0 0 446.616 6.911 40 30 IKEBRN COC(=O)c1cccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@@H](C(C)(C)C)C4)o2)c1 ZINC000409087376 556791224 /nfs/dbraw/zinc/79/12/24/556791224.db2.gz CHTPWNSIDHQEQB-OVNWTWFZSA-N 0 0 446.572 6.568 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000409089719 556792178 /nfs/dbraw/zinc/79/21/78/556792178.db2.gz JOSYUSAGNQSJKZ-YVLHZVERSA-N 0 0 442.273 6.056 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)cc1 ZINC000409091321 556792543 /nfs/dbraw/zinc/79/25/43/556792543.db2.gz PKWUTYZTIMEBKT-SRZZPIQSSA-N 0 0 442.771 5.608 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c(OC)c1 ZINC000409092780 556792731 /nfs/dbraw/zinc/79/27/31/556792731.db2.gz WQTUUOWAWVJVEN-ZFJTUCSNSA-N 0 0 430.957 5.617 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)cc1Cl ZINC000409092625 556792852 /nfs/dbraw/zinc/79/28/52/556792852.db2.gz VTXUUULRBBZQRE-JXQPYYAVSA-N 0 0 435.376 6.262 40 30 IKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409093191 556793769 /nfs/dbraw/zinc/79/37/69/556793769.db2.gz XZBZGCJCMXLMEJ-CHHVJCJISA-N 0 0 441.108 5.651 40 30 IKEBRN COc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@H](C(C)(C)C)C3)cc1 ZINC000409093169 556793774 /nfs/dbraw/zinc/79/37/74/556793774.db2.gz XSPBQQHZORTULE-JTOGBTRBSA-N 0 0 446.616 6.911 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(C(C)C)cc1 ZINC000409093908 556793789 /nfs/dbraw/zinc/79/37/89/556793789.db2.gz BOEXPTSEYVHLOK-UVHMKAGCSA-N 0 0 444.457 6.591 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(OCc2cccc(F)c2)cc1 ZINC000409095757 556793957 /nfs/dbraw/zinc/79/39/57/556793957.db2.gz IWHOITPPGJNROB-RPPGKUMJSA-N 0 0 433.361 5.778 40 30 IKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(F)c1 ZINC000409095237 556794282 /nfs/dbraw/zinc/79/42/82/556794282.db2.gz HCKDSZGWFVMLHV-KVSWJAHQSA-N 0 0 433.405 5.663 40 30 IKEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1Cl ZINC000409095254 556794328 /nfs/dbraw/zinc/79/43/28/556794328.db2.gz AIKMYWLGFNXOIC-BHGWPJFGSA-N 0 0 447.278 5.330 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OCC)c1OCc1ccc(C)cc1 ZINC000409096052 556794504 /nfs/dbraw/zinc/79/45/04/556794504.db2.gz FHUOTDJRWWFLLE-XQNSMLJCSA-N 0 0 449.572 5.924 40 30 IKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCc1ccccc1Cl ZINC000409095690 556794521 /nfs/dbraw/zinc/79/45/21/556794521.db2.gz IDXWSFZHDVRAQJ-ZMOGYAJESA-N 0 0 426.860 5.067 40 30 IKEBRN FC(F)(F)c1ccc(N=NCc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)nc1 ZINC000409096501 556794721 /nfs/dbraw/zinc/79/47/21/556794721.db2.gz KIXHJYCIOJMATM-YPXUMCKCSA-N 0 0 440.252 6.432 40 30 IKEBRN COc1cccc(Oc2ccc(NC(C)=CC(=O)c3ccc(Br)cc3)cc2)c1 ZINC000409097778 556795141 /nfs/dbraw/zinc/79/51/41/556795141.db2.gz OLIVQEZNISDZRD-JQIJEIRASA-N 0 0 438.321 6.449 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O ZINC000409102317 556795831 /nfs/dbraw/zinc/79/58/31/556795831.db2.gz RVIBKGXSRXWAOX-LICLKQGHSA-N 0 0 438.307 5.934 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccccc1OCc1cccc(F)c1 ZINC000409102614 556795923 /nfs/dbraw/zinc/79/59/23/556795923.db2.gz YYLVOBIJXGFCCF-RPPGKUMJSA-N 0 0 433.361 5.778 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O ZINC000409103250 556796204 /nfs/dbraw/zinc/79/62/04/556796204.db2.gz XOPOZOVUQLGCCQ-WOJGMQOQSA-N 0 0 433.888 5.289 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc2c(c1)OCO2 ZINC000409100703 556796719 /nfs/dbraw/zinc/79/67/19/556796719.db2.gz WJJGQGLQOSVZKG-KIBLKLHPSA-N 0 0 446.385 5.196 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cn2)c(C)n1-c1ccc(Cl)c(Cl)c1 ZINC000409104323 556797533 /nfs/dbraw/zinc/79/75/33/556797533.db2.gz CUMGNXYQYNWKBN-WMDMUMDLSA-N 0 0 427.257 6.261 40 30 IKEBRN CCCCCCCCCC(=O)O[C@@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000001634049 556797608 /nfs/dbraw/zinc/79/76/08/556797608.db2.gz LBERVHLCXUMDOT-VZYPYRSISA-N 0 0 442.684 7.571 40 30 IKEBRN Cc1ccc(C(=O)C2=C3NC(=O)c4c5c(sc4N3Cc3ccccc32)CCCC5)cc1 ZINC000001751980 556797756 /nfs/dbraw/zinc/79/77/56/556797756.db2.gz QYRMFWVOCPNLRT-UHFFFAOYSA-N 0 0 426.541 5.250 40 30 IKEBRN FC(F)(F)c1ccc(N=NCc2cn(Cc3ccc4ccccc4c3)c3ccccc23)nc1 ZINC000409104937 556798022 /nfs/dbraw/zinc/79/80/22/556798022.db2.gz LJYLSIJMCGHVJF-XAZZYMPDSA-N 0 0 444.460 6.703 40 30 IKEBRN CCOc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1cccc(C)c1 ZINC000409105189 556798064 /nfs/dbraw/zinc/79/80/64/556798064.db2.gz JPXBNAVYSDPBNT-XODNFHPESA-N 0 0 429.442 5.833 40 30 IKEBRN CCOC(=O)c1ccc(-n2c(C)cc(CN=Nc3ccc(C(F)(F)F)cn3)c2C)cc1 ZINC000409105365 556798344 /nfs/dbraw/zinc/79/83/44/556798344.db2.gz NAXMJBCNEIFKJX-KKMKTNMSSA-N 0 0 430.430 5.131 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC=C)C2=O)cc(OCC)c1OCc1ccccc1 ZINC000409107904 556798765 /nfs/dbraw/zinc/79/87/65/556798765.db2.gz XXMMJRAFPKSOON-CJLVFECKSA-N 0 0 435.545 5.615 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)c(C)c2)cc(OCC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409109410 556799774 /nfs/dbraw/zinc/79/97/74/556799774.db2.gz DGFHMWCFJJLXQU-UHFFFAOYSA-N 0 0 446.547 6.530 40 30 IKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409109504 556799810 /nfs/dbraw/zinc/79/98/10/556799810.db2.gz GHYFDTIBDBRYQP-UHFFFAOYSA-N 0 0 442.386 7.230 40 30 IKEBRN C=CCc1cc(CNc2cc(Cl)ccc2C)cc(OC)c1OCc1cccc(F)c1 ZINC000409110962 556799969 /nfs/dbraw/zinc/79/99/69/556799969.db2.gz AKPZTCSTGZGJOJ-UHFFFAOYSA-N 0 0 425.931 6.716 40 30 IKEBRN Cc1ccc(Sc2ccc([N+](=O)[O-])cc2/C=N\c2cccc(Br)c2)cc1 ZINC000409109904 556799994 /nfs/dbraw/zinc/79/99/94/556799994.db2.gz NSCFHQBJEOTORO-XKZIYDEJSA-N 0 0 427.323 6.568 40 30 IKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1cccc(Cl)c1 ZINC000409110335 556800561 /nfs/dbraw/zinc/80/05/61/556800561.db2.gz UQYZWXBFZJYDPJ-UHFFFAOYSA-N 0 0 442.386 7.230 40 30 IKEBRN COc1ccccc1Oc1ccc(NC=CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000409108797 556801217 /nfs/dbraw/zinc/80/12/17/556801217.db2.gz VZCMVNZPXCXTJO-BUHFOSPRSA-N 0 0 435.476 5.322 40 30 IKEBRN O=[N+]([O-])c1cc2c(cc1/C=N/c1ccc3oc(-c4cccc5ccccc54)nc3c1)OCO2 ZINC000014922890 556801552 /nfs/dbraw/zinc/80/15/52/556801552.db2.gz HTCBXYNRMCLJQN-LGJNPRDNSA-N 0 0 437.411 6.036 40 30 IKEBRN C=CCc1cc(CNc2cccc(C)c2)cc(OCC)c1OCc1cccc2ccccc21 ZINC000409113712 556803965 /nfs/dbraw/zinc/80/39/65/556803965.db2.gz GHOBZJHQNGWLDP-UHFFFAOYSA-N 0 0 437.583 7.467 40 30 IKEBRN Cc1cc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(C)n1-c1ccc(C)c(C)c1 ZINC000409114067 556804246 /nfs/dbraw/zinc/80/42/46/556804246.db2.gz IMBKMKWKCPHXEN-RPPGKUMJSA-N 0 0 430.430 6.084 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409114335 556804424 /nfs/dbraw/zinc/80/44/24/556804424.db2.gz HCQHXQWRQRHTRL-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN CCOC(=O)c1ccc(/N=C\c2cc([N+](=O)[O-])ccc2Sc2nc(C)cc(C)n2)cc1 ZINC000409116047 556807269 /nfs/dbraw/zinc/80/72/69/556807269.db2.gz LIZBMZVDRSXHGR-QRVIBDJDSA-N 0 0 436.493 5.080 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1cccc(Cl)c1C ZINC000409115968 556807299 /nfs/dbraw/zinc/80/72/99/556807299.db2.gz KFPBRKZAONQHNQ-UHFFFAOYSA-N 0 0 445.582 6.350 40 30 IKEBRN C=CCc1cc(CNc2ccc(OC)cc2)cc(OCC)c1OCc1ccc(Cl)cc1 ZINC000409116147 556807402 /nfs/dbraw/zinc/80/74/02/556807402.db2.gz KXVUKSYDHZYEAE-UHFFFAOYSA-N 0 0 437.967 6.667 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=N\c3cccc(Br)c3)cc2[N+](=O)[O-])cc1 ZINC000409116362 556807407 /nfs/dbraw/zinc/80/74/07/556807407.db2.gz IVSINWIFUARKOS-XKZIYDEJSA-N 0 0 427.323 6.568 40 30 IKEBRN C=CCc1cc(CNc2ccc(C)cc2C)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409116956 556809239 /nfs/dbraw/zinc/80/92/39/556809239.db2.gz MRPZEQKHEFZMCI-UHFFFAOYSA-N 0 0 432.520 6.140 40 30 IKEBRN CCCN1c2ccccc2/C(=C/c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409117269 556809826 /nfs/dbraw/zinc/80/98/26/556809826.db2.gz NZHSCSNQQQLNBE-HMAPJEAMSA-N 0 0 428.919 6.088 40 30 IKEBRN CCOC(=O)c1ccc(/N=C\c2ccc(Sc3nc(C)cc(C)n3)c([N+](=O)[O-])c2)cc1 ZINC000409117698 556809953 /nfs/dbraw/zinc/80/99/53/556809953.db2.gz MAMPXGGVVQVSHN-QRVIBDJDSA-N 0 0 436.493 5.080 40 30 IKEBRN COC(=O)c1ccc(CO/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 ZINC000003320812 556810147 /nfs/dbraw/zinc/81/01/47/556810147.db2.gz ICNADDDCBUGCLS-VULFUBBASA-N 0 0 439.895 5.265 40 30 IKEBRN Cc1cc(C)nc(Sc2ccc([N+](=O)[O-])cc2/C=N\c2cccc(Br)c2)n1 ZINC000409119100 556812510 /nfs/dbraw/zinc/81/25/10/556812510.db2.gz QOFBHTRGISEQMD-NHDPSOOVSA-N 0 0 443.326 5.666 40 30 IKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OC)c1OCc1cccc2ccccc21 ZINC000409120037 556813909 /nfs/dbraw/zinc/81/39/09/556813909.db2.gz SRNSRVRRWQHIDL-UHFFFAOYSA-N 0 0 437.583 7.385 40 30 IKEBRN CCN1c2ccccc2/C(=C/c2cc(Cl)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000409120179 556814098 /nfs/dbraw/zinc/81/40/98/556814098.db2.gz UYVBPZYNTUVAEB-MTJSOVHGSA-N 0 0 444.918 5.706 40 30 IKEBRN C=CCc1cc(CNc2cc(C)ccc2C)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409120266 556814145 /nfs/dbraw/zinc/81/41/45/556814145.db2.gz UVOIQQCWNLPTBP-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN C=CCc1cc(CNc2cccc(Cl)c2C)cc(OC)c1OCc1ccccc1Cl ZINC000409121417 556815053 /nfs/dbraw/zinc/81/50/53/556815053.db2.gz ZQDCFNWSOUNKBL-UHFFFAOYSA-N 0 0 442.386 7.230 40 30 IKEBRN CCOc1cc(CN=Nc2ncccc2[N+](=O)[O-])cc(Cl)c1OCc1ccc(C)cc1 ZINC000409121883 556815336 /nfs/dbraw/zinc/81/53/36/556815336.db2.gz YXSMAMOFLWBJKZ-DHRITJCHSA-N 0 0 440.887 5.375 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccccc1OCc1ccc(F)cc1 ZINC000409121271 556815713 /nfs/dbraw/zinc/81/57/13/556815713.db2.gz XSLYVUULOOIAMA-RPPGKUMJSA-N 0 0 433.361 5.778 40 30 IKEBRN Cc1ccc(C(=O)Oc2ccc(/C=N/c3cccc(C(=O)c4ccc(F)cc4)c3)cc2)cc1 ZINC000003116447 556827059 /nfs/dbraw/zinc/82/70/59/556827059.db2.gz ODCODDMLRMGAHN-UXHLAJHPSA-N 0 0 437.470 6.335 40 30 IKEBRN CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(C[C@@H](c3cccs3)CC2=O)N1 ZINC000006077349 556828405 /nfs/dbraw/zinc/82/84/05/556828405.db2.gz LIRXJRWOKNJMBE-IQMFZBJNSA-N 0 0 447.585 5.205 40 30 IKEBRN COc1ccc(Cl)cc1/C=C1/S/C(=N/c2ccc(C)cc2)N(Cc2ccccc2)C1=O ZINC000019648397 556841288 /nfs/dbraw/zinc/84/12/88/556841288.db2.gz LMIZVXDKVVALDG-VCICBFQVSA-N 0 0 448.975 6.461 40 30 IKEBRN CCCCCCCCCOC(=O)c1ccc(-c2ncc(CCCCCCCC)cn2)cc1 ZINC000604971563 556846649 /nfs/dbraw/zinc/84/66/49/556846649.db2.gz CPPVPVMFMULQAK-UHFFFAOYSA-N 0 0 438.656 7.954 40 30 IKEBRN C=CCOc1c(CC=C)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408771159 556846744 /nfs/dbraw/zinc/84/67/44/556846744.db2.gz FSMQEDRKTGLAHK-GJISQHIDSA-N 0 0 436.577 5.151 40 30 IKEBRN Cc1ccc(NC(=O)C(=O)NCc2ccc(/C=N/c3cc(Cl)cc(Cl)c3)o2)cc1C ZINC000408771566 556846921 /nfs/dbraw/zinc/84/69/21/556846921.db2.gz HYAKLRFQYFDEDM-OPEKNORGSA-N 0 0 444.318 5.209 40 30 IKEBRN COc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)ccc1OC(C)C ZINC000408771562 556846929 /nfs/dbraw/zinc/84/69/29/556846929.db2.gz HIMFTVUAQNQQGX-YVLHZVERSA-N 0 0 437.348 5.681 40 30 IKEBRN Cc1cc(/C=N/c2ccc(F)cc2F)c(C)n1-c1ccc(I)cc1 ZINC000408769689 556847038 /nfs/dbraw/zinc/84/70/38/556847038.db2.gz ZGBQUKITPKYUAJ-FOKLQQMPSA-N 0 0 436.243 5.728 40 30 IKEBRN O=C(N=C1NC(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)S1)c1ccc(Cl)cc1 ZINC000409134624 556847906 /nfs/dbraw/zinc/84/79/06/556847906.db2.gz SOACKSFBMZCAET-WQRHYEAKSA-N 0 0 443.311 5.654 40 30 IKEBRN Cc1cc(/C=N\c2ccc(C)cc2C)c(C)n1-c1ccc(I)cc1 ZINC000408772599 556848026 /nfs/dbraw/zinc/84/80/26/556848026.db2.gz DHSWEKWSBOBBHS-QRVIBDJDSA-N 0 0 428.317 6.066 40 30 IKEBRN COc1ccc(/N=C\c2cc(C)n(-c3ccc(I)c(C)c3)c2C)cn1 ZINC000408774260 556848150 /nfs/dbraw/zinc/84/81/50/556848150.db2.gz BSFXVNLQGNXNCL-JJFYIABZSA-N 0 0 445.304 5.161 40 30 IKEBRN Cc1cc(/C=N\c2cccc([N+](=O)[O-])c2)c(C)n1-c1ccc(I)cc1 ZINC000408775085 556848425 /nfs/dbraw/zinc/84/84/25/556848425.db2.gz YTDXSMOJZYDHGS-MTJSOVHGSA-N 0 0 445.260 5.358 40 30 IKEBRN CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(CC(=O)N3CCCC[C@@H]3C)c21 ZINC000409136977 556850041 /nfs/dbraw/zinc/85/00/41/556850041.db2.gz SSAWXKWEYSSHLA-SFHVURJKSA-N 0 0 440.543 5.067 40 30 IKEBRN Oc1ccccc1-c1cc(N=NCc2ccc(Br)cc2)nc(-c2ccccc2)n1 ZINC000008964374 556851989 /nfs/dbraw/zinc/85/19/89/556851989.db2.gz QITJUXKXULGGRW-MFKUBSTISA-N 0 0 445.320 5.725 40 30 IKEBRN O=C1/C(=C/c2cccc(C(F)(F)F)c2)S/C(=N\c2ccccc2)N1Cc1ccco1 ZINC000008934836 556852764 /nfs/dbraw/zinc/85/27/64/556852764.db2.gz BUQUYMMABQGASJ-LEXHDZRKSA-N 0 0 428.435 6.103 40 30 IKEBRN Cc1cc(/C=N\NC(=S)Nc2ccccc2)c(C)n1-c1ccc(Br)cc1 ZINC000408778522 556853813 /nfs/dbraw/zinc/85/38/13/556853813.db2.gz GUAAKTAGNROHGO-XKZIYDEJSA-N 0 0 427.371 5.177 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3)NC2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000408779599 556853936 /nfs/dbraw/zinc/85/39/36/556853936.db2.gz GFRMVTYHZOAICI-JAIQZWGSSA-N 0 0 442.371 6.293 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C\c1cccc(Oc2ccccc2)c1 ZINC000408779651 556853958 /nfs/dbraw/zinc/85/39/58/556853958.db2.gz GWNUEUQFBVCFPO-UYRXBGFRSA-N 0 0 441.339 6.677 40 30 IKEBRN COC(=O)C1=C(C)N(c2ccccc2)C(=Cc2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O ZINC000408781407 556854474 /nfs/dbraw/zinc/85/44/74/556854474.db2.gz SDKQHKRMOFIFFC-XYGWBWBKSA-N 0 0 440.543 5.588 40 30 IKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4ccc(CC)cc4)NC3=O)c2c1 ZINC000408780829 556854587 /nfs/dbraw/zinc/85/45/87/556854587.db2.gz LROAJYNNYKDKBG-JLPGSUDCSA-N 0 0 446.572 6.091 40 30 IKEBRN Cc1cc(/C=N\c2cc(C)ccc2C)c(C)n1-c1ccc(I)c(C)c1 ZINC000408782128 556854706 /nfs/dbraw/zinc/85/47/06/556854706.db2.gz HSRBBMFRDIBPMS-CFRMEGHHSA-N 0 0 442.344 6.375 40 30 IKEBRN C=CCOc1ccc(/C=N\c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)cc1 ZINC000408782743 556855112 /nfs/dbraw/zinc/85/51/12/556855112.db2.gz JAGFPWHTRGIKMW-VEILYXNESA-N 0 0 430.573 5.872 40 30 IKEBRN CCc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)c(C)c2)c1C ZINC000408783395 556855266 /nfs/dbraw/zinc/85/52/66/556855266.db2.gz OOXMVWVYMQZTSX-ZVHZXABRSA-N 0 0 442.344 6.320 40 30 IKEBRN O=S(=O)(NCc1ccc(/C=N/c2cc(Cl)cc(Cl)c2)o1)c1ccc(Cl)cc1 ZINC000408783598 556855268 /nfs/dbraw/zinc/85/52/68/556855268.db2.gz NJWZDZLUEVSNPM-LSHDLFTRSA-N 0 0 443.739 5.469 40 30 IKEBRN Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1ccc(I)c(C)c1 ZINC000408783708 556855311 /nfs/dbraw/zinc/85/53/11/556855311.db2.gz QICBCYPMFVGEKP-UUYOSTAYSA-N 0 0 430.289 5.463 40 30 IKEBRN Cc1ccc(C)n1-c1ccc(/N=C\c2cc(C)n(-c3ccc(Br)cc3)c2C)cc1 ZINC000408784675 556855504 /nfs/dbraw/zinc/85/55/04/556855504.db2.gz RPBVRPYQJSPMGJ-YUMHPJSZSA-N 0 0 446.392 7.015 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cccc(Cl)c3Cl)NC2=O)c(C)n1C1CCCC1 ZINC000408784687 556855527 /nfs/dbraw/zinc/85/55/27/556855527.db2.gz WIXIHFNWKDGGGP-WQRHYEAKSA-N 0 0 434.392 6.418 40 30 IKEBRN CSc1ccccc1/N=C/c1cc(C)n(-c2ccc(I)cc2)c1C ZINC000408785633 556855834 /nfs/dbraw/zinc/85/58/34/556855834.db2.gz IJBOZWLQBYPABF-LPYMAVHISA-N 0 0 446.357 6.171 40 30 IKEBRN Cc1cc(/C=N/c2cccc(Cl)c2)c(C)n1-c1ccc(I)cc1 ZINC000408785451 556855859 /nfs/dbraw/zinc/85/58/59/556855859.db2.gz ZAOHCSWJZBBZNI-WSDLNYQXSA-N 0 0 434.708 6.103 40 30 IKEBRN COc1ccc2[nH]c(-c3ccccc3)c(/C=C3/SC(=Nc4ccccn4)NC3=O)c2c1 ZINC000408789570 556856305 /nfs/dbraw/zinc/85/63/05/556856305.db2.gz MMWLHHZORVOCBW-XSFVSMFZSA-N 0 0 426.501 5.130 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(CNC(=O)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1C ZINC000408787168 556856646 /nfs/dbraw/zinc/85/66/46/556856646.db2.gz SVQINVUUVKZSDG-OPEKNORGSA-N 0 0 444.318 5.209 40 30 IKEBRN COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C)n(-c2ccc(C)cc2)c1C ZINC000408793591 556856969 /nfs/dbraw/zinc/85/69/69/556856969.db2.gz FTHCMEULKIIOIA-XMMPIXPASA-N 0 0 438.527 5.144 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Cl)c(C(F)(F)F)c2)cc1)NCc1ccccc1 ZINC000408800816 556858275 /nfs/dbraw/zinc/85/82/75/556858275.db2.gz POOZBVHAVFRSQW-QDTIIGTASA-N 0 0 446.856 5.805 40 30 IKEBRN COc1ccc(Cl)cc1/C=N\c1sc2c(c1C(=O)NC1CCCCC1)CCCC2 ZINC000408801160 556858590 /nfs/dbraw/zinc/85/85/90/556858590.db2.gz RUJHQZPNDZICIE-QFEZKATASA-N 0 0 431.001 6.102 40 30 IKEBRN Cc1ccc(/N=C\c2cc(Br)c(Sc3ccc(Cl)cc3)o2)cc1Cl ZINC000408806542 556858931 /nfs/dbraw/zinc/85/89/31/556858931.db2.gz BELSBWUUODIJJB-YVNNLAQVSA-N 0 0 441.177 7.559 40 30 IKEBRN C=CCc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC ZINC000408811760 556862686 /nfs/dbraw/zinc/86/26/86/556862686.db2.gz ALPOPTDXWQTWFV-AQTBWJFISA-N 0 0 444.350 5.817 40 30 IKEBRN C[C@H](NC(=O)COc1ccc(/C=N\c2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 ZINC000408816334 556863672 /nfs/dbraw/zinc/86/36/72/556863672.db2.gz YHSFYSSKRDOSPR-IMVGLAPISA-N 0 0 427.331 6.000 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408817482 556864217 /nfs/dbraw/zinc/86/42/17/556864217.db2.gz VYXDKCBELKDAEV-SBTPHQKMSA-N 0 0 433.597 6.305 40 30 IKEBRN N#Cc1c2c(sc1/N=C/c1cc(Cl)ccc1OCc1cccc(Cl)c1)CCCC2 ZINC000408818731 556864798 /nfs/dbraw/zinc/86/47/98/556864798.db2.gz YSSVZTNGIBWLOU-UVHMKAGCSA-N 0 0 441.383 7.135 40 30 IKEBRN Clc1cccc(COc2ccc(Cl)cc2/C=N/N(c2ccccc2)c2ccccc2)c1 ZINC000408814059 556865081 /nfs/dbraw/zinc/86/50/81/556865081.db2.gz RBWIBFSFSUCRPU-RDRPBHBLSA-N 0 0 447.365 7.745 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1\SC(Nc2cc(Cl)ccc2C)NC1=O ZINC000408820741 556865947 /nfs/dbraw/zinc/86/59/47/556865947.db2.gz YJSDWHKELKDZAB-UHFFFAOYSA-N 0 0 433.940 5.577 40 30 IKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000408847308 556869272 /nfs/dbraw/zinc/86/92/72/556869272.db2.gz UWHOBHVPLBWOCF-QHCPKHFHSA-N 0 0 445.559 5.771 40 30 IKEBRN CC(C)c1ccccc1/N=C/c1cc(Br)c(Sc2ccc(Cl)cc2)o1 ZINC000408847591 556869278 /nfs/dbraw/zinc/86/92/78/556869278.db2.gz NQCSTQVEWKFDDE-FSJBWODESA-N 0 0 434.786 7.721 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc(C)c1OCc1ccc(F)cc1 ZINC000408848904 556870408 /nfs/dbraw/zinc/87/04/08/556870408.db2.gz WWMNDWLECWVIJK-MSXFZWOLSA-N 0 0 438.415 5.284 40 30 IKEBRN CC(C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 ZINC000408849794 556870578 /nfs/dbraw/zinc/87/05/78/556870578.db2.gz ZFIRLZOYAJAHLQ-OQDSOZAYSA-N 0 0 434.605 6.657 40 30 IKEBRN CC(C)Oc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408849792 556870667 /nfs/dbraw/zinc/87/06/67/556870667.db2.gz ZFIRLZOYAJAHLQ-NGIOUVRZSA-N 0 0 434.605 6.657 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 ZINC000408858936 556870971 /nfs/dbraw/zinc/87/09/71/556870971.db2.gz UQNPFMZPFVCNFU-HAHDFKILSA-N 0 0 430.529 5.474 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1OC ZINC000408858108 556871190 /nfs/dbraw/zinc/87/11/90/556871190.db2.gz JRESHBBDWIAFKO-RSSVETSYSA-N 0 0 436.577 5.887 40 30 IKEBRN COC(=O)c1ccc(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 ZINC000408859365 556872217 /nfs/dbraw/zinc/87/22/17/556872217.db2.gz STYRAWDOTIZYCS-FAPFTBFLSA-N 0 0 434.561 5.656 40 30 IKEBRN CCOc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)ccc1OCC(C)C ZINC000408860145 556872242 /nfs/dbraw/zinc/87/22/42/556872242.db2.gz WGOHCQVGXRXVQC-NHDPSOOVSA-N 0 0 444.984 5.974 40 30 IKEBRN CCCOc1ccc2ccccc2c1/C=C1\SC(=Nc2cc(C)ccc2OC)NC1=O ZINC000408860033 556872248 /nfs/dbraw/zinc/87/22/48/556872248.db2.gz XLBXBFLJWQOWQH-HAHDFKILSA-N 0 0 432.545 5.837 40 30 IKEBRN O=C1NC(=Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408860829 556872508 /nfs/dbraw/zinc/87/25/08/556872508.db2.gz FZGPTTSAIVYLLA-BKUYFWCQSA-N 0 0 449.463 5.205 40 30 IKEBRN Cc1c(/C=C2\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1C ZINC000408863437 556872613 /nfs/dbraw/zinc/87/26/13/556872613.db2.gz RTGAXBLSSKVTED-XREFYLPJSA-N 0 0 443.616 6.669 40 30 IKEBRN C[C@H]1CCCC[C@H]1N1C(=O)/C(=C/c2cc(Cl)ccc2O)S/C1=N\c1ccccc1 ZINC000408864605 556873008 /nfs/dbraw/zinc/87/30/08/556873008.db2.gz XHPVTLQLVTWJSR-VPQZLOJSSA-N 0 0 426.969 6.228 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)S1 ZINC000408869176 556874501 /nfs/dbraw/zinc/87/45/01/556874501.db2.gz PONQXQYRPRIVBV-OYKKKHCWSA-N 0 0 445.588 5.920 40 30 IKEBRN CCOc1ccc(/C=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c(OCC)c1 ZINC000409146777 556874554 /nfs/dbraw/zinc/87/45/54/556874554.db2.gz UVLQQMPTZYDCFA-NDZAJKAJSA-N 0 0 436.511 7.033 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S1 ZINC000408870166 556874749 /nfs/dbraw/zinc/87/47/49/556874749.db2.gz VHXAGWLQRBNQDH-MTJSOVHGSA-N 0 0 449.488 5.372 40 30 IKEBRN Cc1cc2c(cc1/C=C1\S/C(=N\c3ccccc3)N([C@H]3CCCC[C@H]3C)C1=O)OCO2 ZINC000408870168 556874768 /nfs/dbraw/zinc/87/47/68/556874768.db2.gz SBEOMOYNNLSJGH-IUEAJDLSSA-N 0 0 434.561 5.906 40 30 IKEBRN Cc1cc(/C=C2\SC(=NC(=O)c3ccc(Cl)cc3)NC2=O)c(C)n1-c1ccc(C)cc1 ZINC000409148471 556875653 /nfs/dbraw/zinc/87/56/53/556875653.db2.gz YYHXPXFTFKVRBC-BKUYFWCQSA-N 0 0 449.963 5.456 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3F)N(C3CCCCC3)C2=O)cc1OC ZINC000408877777 556877201 /nfs/dbraw/zinc/87/72/01/556877201.db2.gz YMDBKASFOLPFOM-SHSCQTOKSA-N 0 0 440.540 5.780 40 30 IKEBRN Cc1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)c(C)n1-c1ccc(Cl)cc1 ZINC000409152414 556878495 /nfs/dbraw/zinc/87/84/95/556878495.db2.gz FGZACTKHZDYRFB-WSDLNYQXSA-N 0 0 447.947 5.856 40 30 IKEBRN CCN1C(=O)/C(=C\c2cn(C(C)C)c3ccccc23)S/C1=N/c1ccc(C(=O)OC)cc1 ZINC000409153959 556878822 /nfs/dbraw/zinc/87/88/22/556878822.db2.gz JDXVHLZUVJEJPT-GNPNYKALSA-N 0 0 447.560 5.633 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)S2)cc1 ZINC000408886953 556879356 /nfs/dbraw/zinc/87/93/56/556879356.db2.gz KJYGWGMNPHCVLU-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN COCCCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccccc2O)C2=C1CC(C)(C)CC2=O ZINC000408893628 556879864 /nfs/dbraw/zinc/87/98/64/556879864.db2.gz CIYXTCZNHPASHO-UHFFFAOYSA-N 0 0 437.580 5.114 40 30 IKEBRN CCc1ccc(/N=C2/S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)N2C)cc1 ZINC000409156265 556880339 /nfs/dbraw/zinc/88/03/39/556880339.db2.gz NIQCIRKVYREQNM-ASAQIREPSA-N 0 0 447.516 5.959 40 30 IKEBRN CCCn1cc(C2C3=C(CCCC3=O)N(CCCOC)C3=C2C(=O)CCC3)c2ccccc21 ZINC000408896096 556881308 /nfs/dbraw/zinc/88/13/08/556881308.db2.gz JLOFUARUKKYOIU-UHFFFAOYSA-N 0 0 446.591 5.501 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3cccc(OC(=O)c4ccc(C)cc4)c3)S2)cc1 ZINC000408892789 556881454 /nfs/dbraw/zinc/88/14/54/556881454.db2.gz CXKDPTIZSADPTE-JCMHNJIXSA-N 0 0 444.512 5.114 40 30 IKEBRN COc1ccc(C(=O)Oc2ccccc2/C=C2\SC(=Nc3ccc(C)cc3)NC2=O)cc1 ZINC000408893329 556881825 /nfs/dbraw/zinc/88/18/25/556881825.db2.gz DZHXHBCVPZMQEX-JCMHNJIXSA-N 0 0 444.512 5.114 40 30 IKEBRN C=CCOc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(c4ccccc4)C3=O)c2C)cc1 ZINC000408902129 556882100 /nfs/dbraw/zinc/88/21/00/556882100.db2.gz KOXCMSIZGAOIPK-XQNSMLJCSA-N 0 0 446.597 6.065 40 30 IKEBRN O=C(Oc1cccc(/C=C2\SC(=Nc3ccccc3)NC2=O)c1)c1ccc(Cl)cc1 ZINC000408900870 556882261 /nfs/dbraw/zinc/88/22/61/556882261.db2.gz YHYUNVPIHLAEHM-ZHZULCJRSA-N 0 0 434.904 5.451 40 30 IKEBRN COc1ccc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc1Cl ZINC000408897782 556883324 /nfs/dbraw/zinc/88/33/24/556883324.db2.gz OFWDZJQJGYLUAK-UHFFFAOYSA-N 0 0 427.972 5.664 40 30 IKEBRN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1 ZINC000408898454 556883389 /nfs/dbraw/zinc/88/33/89/556883389.db2.gz LLZMUDYELCPZLC-ZMOGYAJESA-N 0 0 449.359 5.193 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S/C1=N\c1ccccc1 ZINC000408905619 556884078 /nfs/dbraw/zinc/88/40/78/556884078.db2.gz BRJJVJSRJJMKPL-KWPJTZOTSA-N 0 0 428.557 6.280 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1OCc1ccccc1 ZINC000408905498 556884087 /nfs/dbraw/zinc/88/40/87/556884087.db2.gz AVFCLOUOKLZHEM-YCJCGMCGSA-N 0 0 444.556 5.816 40 30 IKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2ccccc2)N([C@@H](C)c2ccccc2)C1=O ZINC000408906460 556884489 /nfs/dbraw/zinc/88/44/89/556884489.db2.gz BQLFIWXXSIPCBS-PEBOIGEYSA-N 0 0 428.557 6.451 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(OCc4cccc(F)c4)cc3)C(=O)N2C)cc1 ZINC000408907108 556884642 /nfs/dbraw/zinc/88/46/42/556884642.db2.gz LZMLXXWOEFSAIV-WNIMSWJZSA-N 0 0 432.520 5.947 40 30 IKEBRN O=C1/C(=C\c2ccc(Br)o2)S/C(=N\c2ccccc2)N1Cc1ccccc1 ZINC000408906988 556884695 /nfs/dbraw/zinc/88/46/95/556884695.db2.gz FRDSEZQMXMSXHH-CEOOYPSPSA-N 0 0 439.334 5.846 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)S/C1=N\c1ccc(C)cc1 ZINC000408906932 556884701 /nfs/dbraw/zinc/88/47/01/556884701.db2.gz FEUWJEWRGPZHJK-DOGKOTLKSA-N 0 0 446.547 6.337 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@H](C)c3ccccc3)C2=O)cc1 ZINC000408907071 556884708 /nfs/dbraw/zinc/88/47/08/556884708.db2.gz LMRSSDBJANRJGJ-STWUOGDHSA-N 0 0 428.557 6.451 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1OC ZINC000408907383 556884920 /nfs/dbraw/zinc/88/49/20/556884920.db2.gz MTWLDLRJOOYLBM-OQNHBUHUSA-N 0 0 430.529 5.508 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(Br)c(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408907693 556885019 /nfs/dbraw/zinc/88/50/19/556885019.db2.gz OVAAEWHQEBMVDE-SLHJDRLVSA-N 0 0 447.354 5.096 40 30 IKEBRN CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(C=C2C(=O)c3ccccc3C2=O)c1C ZINC000408912449 556886321 /nfs/dbraw/zinc/88/63/21/556886321.db2.gz GJKNZFXMJVOAPX-UHFFFAOYSA-N 0 0 433.529 5.412 40 30 IKEBRN CCOc1c(/C=C2/S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cccc1OC ZINC000408912169 556886351 /nfs/dbraw/zinc/88/63/51/556886351.db2.gz MEGXXCLBJQWQEU-RZZGQMAMSA-N 0 0 430.529 5.903 40 30 IKEBRN CC(C)N1C(=O)/C(=C\c2cc3c(cc2Br)OCO3)S/C1=N\c1ccccc1 ZINC000408912430 556886390 /nfs/dbraw/zinc/88/63/90/556886390.db2.gz QJSSWRVONPWNTI-PPSMZDETSA-N 0 0 445.338 5.190 40 30 IKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2cc(Cl)c(O)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912652 556886598 /nfs/dbraw/zinc/88/65/98/556886598.db2.gz OIYLFMPADNFOMN-VJMWJZBHSA-N 0 0 430.957 5.765 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)N1CC ZINC000408908982 556886990 /nfs/dbraw/zinc/88/69/90/556886990.db2.gz BGJXLACVGVVLAZ-LBMUFILHSA-N 0 0 447.516 6.041 40 30 IKEBRN O=[N+]([O-])c1ccc(N=NCc2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)nc1 ZINC000408908817 556887045 /nfs/dbraw/zinc/88/70/45/556887045.db2.gz DHQCIFFTGAZFBG-MRUKODCESA-N 0 0 440.290 5.746 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1 ZINC000408908832 556887115 /nfs/dbraw/zinc/88/71/15/556887115.db2.gz SJLMYBMMTIXORE-TWZDJBIOSA-N 0 0 442.584 6.841 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)N2C)cc1 ZINC000408909541 556887309 /nfs/dbraw/zinc/88/73/09/556887309.db2.gz UXDMSYWSLSGAHO-DSEZMCGYSA-N 0 0 443.355 6.796 40 30 IKEBRN CCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N([C@H](C)CC)C2=O)cc1OCC ZINC000408909533 556887316 /nfs/dbraw/zinc/88/73/16/556887316.db2.gz DLDJPISHDYPRIO-GLFPGZLVSA-N 0 0 438.593 6.195 40 30 IKEBRN CC[C@@H](C)N1C(=O)/C(=C\c2ccc(OC(C)C)c(OC)c2)S/C1=N\c1ccc(C)cc1 ZINC000408912986 556887356 /nfs/dbraw/zinc/88/73/56/556887356.db2.gz OWRWSVMKUVGGRH-BRWGRUQKSA-N 0 0 438.593 6.193 40 30 IKEBRN CCOc1ccccc1/C=C1/S/C(=N\c2ccc(C)cc2)N(CCc2ccccc2)C1=O ZINC000408909319 556887360 /nfs/dbraw/zinc/88/73/60/556887360.db2.gz CMTPKZGMWCAJAM-WEOUEGTISA-N 0 0 442.584 6.240 40 30 IKEBRN CCCN1C(=O)/C(=C\c2ccc(OCC)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408909909 556887518 /nfs/dbraw/zinc/88/75/18/556887518.db2.gz FLVPRERRBGDCAT-UINIZAEWSA-N 0 0 430.573 6.561 40 30 IKEBRN Cc1ccc(/N=C2\S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N2CC(C)C)cc1 ZINC000408910721 556887758 /nfs/dbraw/zinc/88/77/58/556887758.db2.gz HORQQXKHWGMBAG-ZHUAHHRVSA-N 0 0 429.929 5.817 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S/C1=N\c1cc(C)ccc1C ZINC000408910785 556887976 /nfs/dbraw/zinc/88/79/76/556887976.db2.gz KVZQMQBOOHLBGR-QMSJJHEMSA-N 0 0 447.516 6.096 40 30 IKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(C(C)(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408911332 556888161 /nfs/dbraw/zinc/88/81/61/556888161.db2.gz MZNPKBGBEONIGR-XRDVUCKLSA-N 0 0 440.612 7.349 40 30 IKEBRN COC(=O)c1ccc(/N=C/c2cc(Br)c(Sc3ccc(C)cc3)o2)cc1 ZINC000408911629 556888200 /nfs/dbraw/zinc/88/82/00/556888200.db2.gz AFUSRDSYUDKOJJ-WSDLNYQXSA-N 0 0 430.323 6.039 40 30 IKEBRN CC(C)Oc1ccc(/C=C2/S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408911481 556888248 /nfs/dbraw/zinc/88/82/48/556888248.db2.gz ZNRSOTOOZJKLOZ-UINIZAEWSA-N 0 0 428.557 6.278 40 30 IKEBRN CCCOc1ccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc1OC ZINC000408911883 556888438 /nfs/dbraw/zinc/88/84/38/556888438.db2.gz KWQGNLOZGGKESX-HUOZHCEOSA-N 0 0 438.593 6.052 40 30 IKEBRN C[C@H](c1ccccc1)N1C(=O)/C(=C\c2ccc(N(C)C)cc2)S/C1=N\c1ccccc1 ZINC000408911931 556888475 /nfs/dbraw/zinc/88/84/75/556888475.db2.gz PANIJJZTEYNCCK-STWUOGDHSA-N 0 0 427.573 6.118 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1[N+](=O)[O-] ZINC000408917439 556888874 /nfs/dbraw/zinc/88/88/74/556888874.db2.gz UMFSQUXDTPJMFR-JDJFWADASA-N 0 0 435.461 5.001 40 30 IKEBRN C#CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccco3)C2=O)cc1OC ZINC000408917437 556888940 /nfs/dbraw/zinc/88/89/40/556888940.db2.gz UKMPZILYMSJXCK-JTUXUYRKSA-N 0 0 444.512 5.104 40 30 IKEBRN CCOc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc(Cl)c1O ZINC000408913419 556889180 /nfs/dbraw/zinc/88/91/80/556889180.db2.gz QSQYHTSAFSXQFH-GYOQDEGTSA-N 0 0 444.984 6.013 40 30 IKEBRN CCCCN1C(=O)/C(=C\c2ccc(OCC)c3ccccc23)S/C1=N\c1ccc(C)cc1 ZINC000408913345 556889188 /nfs/dbraw/zinc/88/91/88/556889188.db2.gz QBMWFLDIDUUNKD-AJGXWLHTSA-N 0 0 444.600 6.951 40 30 IKEBRN CC[C@H](C)N1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)S/C1=N\c1ccc(C)cc1 ZINC000408913828 556889372 /nfs/dbraw/zinc/88/93/72/556889372.db2.gz RPXSKONGAJPFQL-COBJSXJPSA-N 0 0 429.929 5.959 40 30 IKEBRN CCc1ccccc1/N=C1\S/C(=C/c2ccc(OC)c(Br)c2)C(=O)N1CC ZINC000408913592 556889376 /nfs/dbraw/zinc/88/93/76/556889376.db2.gz QVTLTTGIERLNBV-DNLCFCFBSA-N 0 0 445.382 5.644 40 30 IKEBRN N#Cc1ccccc1COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1Br ZINC000408914224 556889568 /nfs/dbraw/zinc/88/95/68/556889568.db2.gz ONTKUQHWSIUWTJ-UHFFFAOYSA-N 0 0 444.284 5.362 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\c3ccccc3)N([C@@H](C)c3ccccc3)C2=O)cc1C ZINC000408915317 556889977 /nfs/dbraw/zinc/88/99/77/556889977.db2.gz ZMLOEHABRHWLOD-RNWNAKOZSA-N 0 0 428.557 6.369 40 30 IKEBRN COc1cc(C=C2C(=O)c3ccccc3C2=O)c(Br)cc1OCc1ccccc1 ZINC000408915514 556890303 /nfs/dbraw/zinc/89/03/03/556890303.db2.gz WUAMZBRJZNCDPP-UHFFFAOYSA-N 0 0 449.300 5.499 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(C)cc3)N(CC(C)C)C2=O)cc(Cl)c1O ZINC000408915375 556890342 /nfs/dbraw/zinc/89/03/42/556890342.db2.gz XWWNYPFUDNYPBP-MSBDOUPJSA-N 0 0 430.957 5.623 40 30 IKEBRN CC[C@H](C)N1C(=O)/C(=C\c2cc(Br)ccc2O)S/C1=N\c1ccc(C)cc1 ZINC000408915595 556890359 /nfs/dbraw/zinc/89/03/59/556890359.db2.gz YVFDDIPQSQAKAO-COBJSXJPSA-N 0 0 445.382 5.866 40 30 IKEBRN CCCOc1ccc(C2C3=C(CCCC3=O)N(CCC)C3=C2C(=O)CCC3)cc1OCC ZINC000408919694 556890500 /nfs/dbraw/zinc/89/05/00/556890500.db2.gz BMNRPQIZEVSOER-UHFFFAOYSA-N 0 0 437.580 5.698 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)C1=O ZINC000408916487 556890573 /nfs/dbraw/zinc/89/05/73/556890573.db2.gz DFNUTUJSCIHZMU-XDHOZWIPSA-N 0 0 442.334 5.006 40 30 IKEBRN C#CCN1C(=O)S/C(=C/c2cc(CC=C)c(OCc3ccc(C)cc3)c(OCC)c2)C1=O ZINC000408917993 556891276 /nfs/dbraw/zinc/89/12/76/556891276.db2.gz DVODIEUJATYYBO-XQNSMLJCSA-N 0 0 447.556 5.371 40 30 IKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2ccc(OC)c(OC)c2)C2=C1CC(C)(C)CC2=O ZINC000408918058 556891293 /nfs/dbraw/zinc/89/12/93/556891293.db2.gz FPHNIDQLNHLXBI-UHFFFAOYSA-N 0 0 437.580 5.409 40 30 IKEBRN CCOc1cc(/C=N/c2oc(C)c(C)c2C#N)ccc1OCc1ccc(Cl)cc1Cl ZINC000408919158 556891523 /nfs/dbraw/zinc/89/15/23/556891523.db2.gz UBVKOWDCWXKKOB-KKMKTNMSSA-N 0 0 443.330 6.803 40 30 IKEBRN Brc1cc(/C=N/c2ccc(N3CCOCC3)cc2)oc1Sc1ccccc1 ZINC000408931536 556892860 /nfs/dbraw/zinc/89/28/60/556892860.db2.gz MXHMQHYFXYCSJW-HZHRSRAPSA-N 0 0 443.366 5.781 40 30 IKEBRN Cc1cc(/C=N/c2ccc(N3CCOCC3)cc2)c(C)n1-c1ccccc1Br ZINC000408931701 556892974 /nfs/dbraw/zinc/89/29/74/556892974.db2.gz PEEGWGGRRUVHBY-PCLIKHOPSA-N 0 0 438.369 5.444 40 30 IKEBRN CC/N=C1/S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)N1CC ZINC000408928634 556893336 /nfs/dbraw/zinc/89/33/36/556893336.db2.gz CQEJSXWULVOXTB-TZIVZOBOSA-N 0 0 445.382 5.340 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc(OC)c(C)c2)S/C1=N/c1ccc(N2CCCCC2)cc1 ZINC000408928769 556893340 /nfs/dbraw/zinc/89/33/40/556893340.db2.gz ICIXCZYNWREJLJ-CGINZGNNSA-N 0 0 435.593 5.618 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N/c1ccccc1 ZINC000408928950 556893682 /nfs/dbraw/zinc/89/36/82/556893682.db2.gz MNHVSYNLIMASFO-VWTGEQJNSA-N 0 0 431.355 5.090 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C(=O)N1CC ZINC000408929654 556893877 /nfs/dbraw/zinc/89/38/77/556893877.db2.gz MBNHXDMPZKSRBW-OYPKHVMMSA-N 0 0 444.984 5.548 40 30 IKEBRN CC/N=C1/S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1CC ZINC000408930273 556894147 /nfs/dbraw/zinc/89/41/47/556894147.db2.gz UVUHOYQSQGKDAY-VFHZPEHISA-N 0 0 439.584 6.155 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C(=O)N1CC ZINC000408930567 556894331 /nfs/dbraw/zinc/89/43/31/556894331.db2.gz YVROIEQWLKJDBR-YJECAWTJSA-N 0 0 444.984 5.630 40 30 IKEBRN CC/N=C1/S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc32)C(=O)N1CC ZINC000408930854 556894479 /nfs/dbraw/zinc/89/44/79/556894479.db2.gz CWUMLVNJIKLJSC-PHSRYYMBSA-N 0 0 430.573 6.039 40 30 IKEBRN Fc1ccc(COc2ccc3ccccc3c2/C=N/c2ccc(N3CCOCC3)cc2)cc1 ZINC000408930893 556894503 /nfs/dbraw/zinc/89/45/03/556894503.db2.gz DMGLZXMYNAWWMS-NDZAJKAJSA-N 0 0 440.518 6.145 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(F)cc1 ZINC000408931185 556894795 /nfs/dbraw/zinc/89/47/95/556894795.db2.gz IDTJNODEOPDEJQ-MTDXEUNCSA-N 0 0 434.511 5.391 40 30 IKEBRN CC/N=C1/S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)N1CC ZINC000408931118 556894862 /nfs/dbraw/zinc/89/48/62/556894862.db2.gz HJSRWBCMZGTRPI-TZIVZOBOSA-N 0 0 445.382 5.340 40 30 IKEBRN C#CCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1 ZINC000408934352 556895168 /nfs/dbraw/zinc/89/51/68/556895168.db2.gz AHINBUXXTHOLGT-DDEBHVINSA-N 0 0 438.958 6.929 40 30 IKEBRN COc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccc(C)cc3[C@H]3C=CC[C@@H]32)cc1 ZINC000408934448 556895448 /nfs/dbraw/zinc/89/54/48/556895448.db2.gz ATOABYCADJWBHR-WNPYWFSYSA-N 0 0 428.963 7.234 40 30 IKEBRN FC(F)(F)c1ccc(NN=Cc2ccccc2OCc2ccc(Cl)cc2Cl)cc1 ZINC000408932349 556896140 /nfs/dbraw/zinc/89/61/40/556896140.db2.gz WARURFUSRLLZSZ-PPDIBHTLSA-N 0 0 439.264 7.037 40 30 IKEBRN FC(F)(F)c1cccc(-n2cccc2/C=N\c2cccc(I)c2)c1 ZINC000408938910 556896374 /nfs/dbraw/zinc/89/63/74/556896374.db2.gz SPPBTHCFFWTTLZ-FMCGGJTJSA-N 0 0 440.206 5.851 40 30 IKEBRN COc1cc(/C=N/c2ccc([C@@H]3Nc4ccccc4[C@H]4C=CC[C@@H]43)cc2)cc(OC)c1OC ZINC000408938796 556896386 /nfs/dbraw/zinc/89/63/86/556896386.db2.gz RPHGNXZYNHJXIC-WKSIQMIZSA-N 0 0 440.543 6.290 40 30 IKEBRN CCCOc1ccc(Cl)cc1/C=N/c1ccc([C@@H]2Nc3ccccc3[C@@H]3C=CC[C@H]32)cc1 ZINC000408941177 556896728 /nfs/dbraw/zinc/89/67/28/556896728.db2.gz OUAVVNZYWXPSCU-UUQTWXEZSA-N 0 0 442.990 7.706 40 30 IKEBRN CCOc1ccc(/C=N/c2ccc([C@@H]3Nc4ccc(C)cc4[C@H]4C=CC[C@@H]43)cc2)cc1OC ZINC000408937302 556896967 /nfs/dbraw/zinc/89/69/67/556896967.db2.gz ISFLKLJBVLNBIC-BZKNYGTMSA-N 0 0 438.571 6.979 40 30 IKEBRN Clc1ccc(/N=C\c2cc(Br)c(I)o2)cc1Cl ZINC000408950447 556898118 /nfs/dbraw/zinc/89/81/18/556898118.db2.gz FCZVDNHBOQCWQK-BNCCVWRVSA-N 0 0 444.881 5.704 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3c[nH]c4ccc(Br)cc34)S2)cc1 ZINC000408954022 556898855 /nfs/dbraw/zinc/89/88/55/556898855.db2.gz RNLRAMFFOAPUKW-GIJQJNRQSA-N 0 0 442.338 5.221 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(Cc4ccccc4)c3C)S2)cc1 ZINC000408955607 556899331 /nfs/dbraw/zinc/89/93/31/556899331.db2.gz XWAHFCFFBCWOOJ-HZHRSRAPSA-N 0 0 431.561 5.444 40 30 IKEBRN CCOCCN1C(=O)/C(=C/c2ccc(N3CCCCC3)cc2)SC1=Nc1ccccc1 ZINC000408960697 556899585 /nfs/dbraw/zinc/89/95/85/556899585.db2.gz NYMHXBKXPIQTNN-OZJHTRJKSA-N 0 0 435.593 5.317 40 30 IKEBRN COCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)cc2C)SC1=Nc1ccccc1 ZINC000408962269 556901435 /nfs/dbraw/zinc/90/14/35/556901435.db2.gz XWHMZTQEBAJJNE-YJMOJNCUSA-N 0 0 435.593 5.236 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc1Br ZINC000408962513 556901523 /nfs/dbraw/zinc/90/15/23/556901523.db2.gz SQGIXRQQIKMGIM-HWQJWEFDSA-N 0 0 449.345 5.657 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1 ZINC000408963267 556901797 /nfs/dbraw/zinc/90/17/97/556901797.db2.gz YOXHHKHIHWWXPF-ODLFYWEKSA-N 0 0 445.327 6.154 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3ccc(C)cc3)NC2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000408963351 556901885 /nfs/dbraw/zinc/90/18/85/556901885.db2.gz NJRURHDATGOORP-WSDLNYQXSA-N 0 0 435.980 6.256 40 30 IKEBRN Cc1cc(CN=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)n1-c1ccc(C(C)(C)C)cc1 ZINC000408963947 556901994 /nfs/dbraw/zinc/90/19/94/556901994.db2.gz BHOGDHFLTMQDCZ-ZVHZXABRSA-N 0 0 435.484 5.654 40 30 IKEBRN CCOc1cc(/C=C2/SC(=Nc3ccc(F)cc3)NC2=O)cc(Cl)c1O[C@H](C)CC ZINC000408963620 556902016 /nfs/dbraw/zinc/90/20/16/556902016.db2.gz CVRNJBPRPVUXJG-KZKLBEMASA-N 0 0 448.947 5.947 40 30 IKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=Nc3ccc(OC)cc3)NC2=O)cc1OC ZINC000408966612 556902057 /nfs/dbraw/zinc/90/20/57/556902057.db2.gz PNAKARZBXQUJII-HCZVKUGISA-N 0 0 446.956 5.426 40 30 IKEBRN O=C1NC(=Nc2cccc(Cl)c2Cl)S/C1=C/c1cccn1-c1ccccc1F ZINC000408965709 556902505 /nfs/dbraw/zinc/90/25/05/556902505.db2.gz LPPMVEZXHKASKV-GZTJUZNOSA-N 0 0 432.307 5.815 40 30 IKEBRN CCc1ccccc1-n1c(C)cc(/C=N\c2ccccc2I)c1C ZINC000408965416 556902513 /nfs/dbraw/zinc/90/25/13/556902513.db2.gz HCJONXPZPOJPPP-UCQKPKSFSA-N 0 0 428.317 6.012 40 30 IKEBRN COc1ccc(N=C2NC(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4C)c3C)S2)cc1 ZINC000408965733 556902523 /nfs/dbraw/zinc/90/25/23/556902523.db2.gz LSLZQABJOWFNSM-OEAKJJBVSA-N 0 0 431.561 5.611 40 30 IKEBRN CCCCc1ccc(-n2c(C)cc(/C=C3/SC(=Nc4ccc(C)cc4)NC3=O)c2C)cc1 ZINC000408966000 556902846 /nfs/dbraw/zinc/90/28/46/556902846.db2.gz YMWNMGPXNXTZRE-KOEQRZSOSA-N 0 0 443.616 6.637 40 30 IKEBRN CCOC(=O)c1cccc(-n2c(C)cc(/C=N/c3ccc(C(=O)OC)c(Cl)c3)c2C)c1 ZINC000408967436 556903264 /nfs/dbraw/zinc/90/32/64/556903264.db2.gz RJPCPJHMXVIPSV-VULFUBBASA-N 0 0 438.911 5.461 40 30 IKEBRN O=C1NC(=Nc2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000408967643 556903517 /nfs/dbraw/zinc/90/35/17/556903517.db2.gz WJBGHKCWPDUWNR-FYJGNVAPSA-N 0 0 449.463 5.205 40 30 IKEBRN C=CCN(CC=C)C(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 ZINC000408975142 556905704 /nfs/dbraw/zinc/90/57/04/556905704.db2.gz IHDFXXIAQAURHA-UHFFFAOYSA-N 0 0 436.544 5.250 40 30 IKEBRN CCOc1ccc(/N=C/c2c(C)c(/C=N/c3ccc(OCC)cc3)n3ccccc23)cc1 ZINC000408972841 556907512 /nfs/dbraw/zinc/90/75/12/556907512.db2.gz GJZRQPJHDRXGPW-UOSOPFLXSA-N 0 0 425.532 6.546 40 30 IKEBRN COc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)N(c3ccc(C)c(C)c3)C2=O)cc1 ZINC000408979475 556908719 /nfs/dbraw/zinc/90/87/19/556908719.db2.gz QWWQNLJWULYDJO-SIFZUIMESA-N 0 0 442.584 6.737 40 30 IKEBRN O=C(Oc1cccc(CN=Nc2nc(-c3ccccc3)cs2)c1)c1cccc([N+](=O)[O-])c1 ZINC000408986493 556909635 /nfs/dbraw/zinc/90/96/35/556909635.db2.gz MHQLLNIKWYNXFE-ZVHZXABRSA-N 0 0 444.472 5.384 40 30 IKEBRN O=C1c2ccccc2S/C1=C\c1ccc(Sc2nc3ccc([N+](=O)[O-])cc3s2)o1 ZINC000408989599 556910857 /nfs/dbraw/zinc/91/08/57/556910857.db2.gz IQNJZYVVEWARDW-YVLHZVERSA-N 0 0 438.511 6.278 40 30 IKEBRN O=C(NCc1ccco1)c1c2c(sc1/N=C/c1ccc(Br)s1)CCCC2 ZINC000408991513 556911604 /nfs/dbraw/zinc/91/16/04/556911604.db2.gz YAODFLBDIHMJDG-SSDVNMTOSA-N 0 0 449.395 5.725 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5s4)o3)S2)cc1 ZINC000408988998 556911967 /nfs/dbraw/zinc/91/19/67/556911967.db2.gz GJTDJYIZJMYPHG-PDGQHHTCSA-N 0 0 449.582 6.241 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(OCC)c(Cl)c2)C1=O ZINC000408995415 556912145 /nfs/dbraw/zinc/91/21/45/556912145.db2.gz CNHSPDJUBCLZTD-AQTBWJFISA-N 0 0 429.925 5.282 40 30 IKEBRN C=CCc1cc(/C=N/c2sc3c(c2C(=O)NCc2ccccc2)CCCC3)ccc1O ZINC000408993228 556912693 /nfs/dbraw/zinc/91/26/93/556912693.db2.gz CWVCUIXXXFPKBO-OGLMXYFKSA-N 0 0 430.573 5.742 40 30 IKEBRN Cc1nn(-c2cccc3ccccc32)c(C)c1C=NNc1c(Cl)cc(Cl)cc1Cl ZINC000408994770 556913288 /nfs/dbraw/zinc/91/32/88/556913288.db2.gz IXSGSLGMYPNCGW-ZRGSRPPYSA-N 0 0 443.765 7.049 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(C)n(-c3ccccc3)c2C)C1=O ZINC000408998878 556913678 /nfs/dbraw/zinc/91/36/78/556913678.db2.gz SMGOUASVNUAODQ-JWGURIENSA-N 0 0 444.556 5.638 40 30 IKEBRN CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2ccc(N3CCCCC3)cc2)C1=O ZINC000409004710 556915305 /nfs/dbraw/zinc/91/53/05/556915305.db2.gz YDPSEIZRGUMJGT-FXBPSFAMSA-N 0 0 434.561 5.221 40 30 IKEBRN Cc1ccc(NC(=O)COc2cccc(/C=N/N(c3ccccc3)c3ccccc3)c2)cc1C ZINC000409010456 556917899 /nfs/dbraw/zinc/91/78/99/556917899.db2.gz FBFCKBNXQDDTMT-TWKHWXDSSA-N 0 0 449.554 6.493 40 30 IKEBRN Cc1ccccc1NC(=O)COc1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1 ZINC000409011267 556918223 /nfs/dbraw/zinc/91/82/23/556918223.db2.gz GTYIHFUOBQHFGB-ZTKZIYFRSA-N 0 0 435.527 6.185 40 30 IKEBRN CCN1C(=O)/C(=C/c2c(OC)ccc3ccc(OC)cc32)S/C1=N\c1ccc(OC)cc1 ZINC000409011913 556918401 /nfs/dbraw/zinc/91/84/01/556918401.db2.gz PCOFTLMCHIFCFL-JWMLTMDESA-N 0 0 448.544 5.490 40 30 IKEBRN CC[C@@H](C)Oc1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)N(C)C2=O)cc1Cl ZINC000409012552 556918692 /nfs/dbraw/zinc/91/86/92/556918692.db2.gz KFXHJSAUSCAKOR-FJSGEIGQSA-N 0 0 435.376 6.405 40 30 IKEBRN CCN1C(=O)/C(=C/c2cccc(OC)c2OC(C)C)SC1=Nc1ccc(OC)cc1 ZINC000409016178 556921229 /nfs/dbraw/zinc/92/12/29/556921229.db2.gz UVOPJOHBGZWGNI-KWKLDLJFSA-N 0 0 426.538 5.115 40 30 IKEBRN CN1C(=O)/C(=C/c2ccc(-c3cccc(F)c3)o2)SC1=Nc1ccc2ncccc2c1 ZINC000409016534 556921300 /nfs/dbraw/zinc/92/13/00/556921300.db2.gz DEYHMSLXZMVEBD-NEAWXCLQSA-N 0 0 429.476 5.868 40 30 IKEBRN CC[C@H](C)Oc1ccc(/C=N/c2ccc(Sc3ccc([N+](=O)[O-])cc3)cc2)cc1Cl ZINC000409020896 556922030 /nfs/dbraw/zinc/92/20/30/556922030.db2.gz VJBNHHMWHNBWPL-JZCUADNKSA-N 0 0 440.952 7.327 40 30 IKEBRN Cc1ccc(NC(=O)c2c3c(sc2/N=C/c2ccc(OCC(C)C)cc2)CCCC3)cc1 ZINC000409022176 556922851 /nfs/dbraw/zinc/92/28/51/556922851.db2.gz HSACGMKPCXHNPC-LQKURTRISA-N 0 0 446.616 6.973 40 30 IKEBRN CCCOc1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)cc1 ZINC000409019115 556923775 /nfs/dbraw/zinc/92/37/75/556923775.db2.gz YNSQUZBZQKWRHH-PKAZHMFMSA-N 0 0 432.589 6.727 40 30 IKEBRN Cc1c(/C=N/CCNc2cccc3ccccc32)c2cc(C)ccc2n1Cc1ccccc1 ZINC000409035738 556928518 /nfs/dbraw/zinc/92/85/18/556928518.db2.gz QDNCGGOSEPPVSV-AJBULDERSA-N 0 0 431.583 6.991 40 30 IKEBRN CC[C@@H](C)Sc1ccc(/C=N\NC(F)(F)C(F)(F)C(F)(F)F)c2ccccc12 ZINC000409037221 556928958 /nfs/dbraw/zinc/92/89/58/556928958.db2.gz MEQODCIMWASLBW-UGGZHSSNSA-N 0 0 426.401 6.444 40 30 IKEBRN C=CCn1c(C)c(CN=Nc2c(F)c(F)c(C(F)(F)F)c(F)c2F)c2cccc(C)c21 ZINC000409041209 556929248 /nfs/dbraw/zinc/92/92/48/556929248.db2.gz ZUKRQELIYOSASD-JNNAGZRYSA-N 0 0 443.366 6.465 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(F)N/N=C/c1cccc(OCc2cccc(Cl)c2)c1 ZINC000409045879 556930575 /nfs/dbraw/zinc/93/05/75/556930575.db2.gz JHPJZTMJJIDOJK-JQAMDZJQSA-N 0 0 428.735 5.633 40 30 IKEBRN O=[N+]([O-])c1ccc(/N=C/c2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 ZINC000409047164 556931580 /nfs/dbraw/zinc/93/15/80/556931580.db2.gz NEZPFDZNBWNMQZ-BHGWPJFGSA-N 0 0 435.694 6.885 40 30 IKEBRN Cc1sc(N=NC(C)c2ccc(OCc3ccccc3Cl)cc2)nc1-c1ccccc1 ZINC000409053650 556937720 /nfs/dbraw/zinc/93/77/20/556937720.db2.gz NWFAGBWVTUGORQ-OGLMXYFKSA-N 0 0 447.991 7.187 40 30 IKEBRN COc1cc(C=NN2C(=S)N=NC2c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000409054556 556938363 /nfs/dbraw/zinc/93/83/63/556938363.db2.gz BSGQBFXZJCHIGY-MFKUBSTISA-N 0 0 430.533 5.012 40 30 IKEBRN CC(N=Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(C2CCCCC2)cc1 ZINC000409055472 556938796 /nfs/dbraw/zinc/93/87/96/556938796.db2.gz YWVKWJRSPAMHPA-DICXZTSXSA-N 0 0 444.431 8.001 40 30 IKEBRN CCOc1cc(C=NN2C(=S)N=NC2c2ccccc2)ccc1OCc1ccc(C)cc1 ZINC000409061882 556939623 /nfs/dbraw/zinc/93/96/23/556939623.db2.gz JOKYYDDRNBIPAV-WGOQTCKBSA-N 0 0 444.560 5.402 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)cc1Cl ZINC000409062579 556940054 /nfs/dbraw/zinc/94/00/54/556940054.db2.gz XAQXOGPFPLQXAZ-BOPFTXTBSA-N 0 0 434.300 5.255 40 30 IKEBRN CCCCOc1ccc2ccccc2c1/C=N/c1sc2c(c1C(=O)OCC)CCCC2 ZINC000409062820 556940118 /nfs/dbraw/zinc/94/01/18/556940118.db2.gz BHWVIIJNOPLZIM-WPWMEQJKSA-N 0 0 435.589 6.886 40 30 IKEBRN COc1ccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c(O)c1 ZINC000019894550 556940295 /nfs/dbraw/zinc/94/02/95/556940295.db2.gz QTJLNZVLQUEMBG-AFUMVMLFSA-N 0 0 445.500 6.159 40 30 IKEBRN Cc1cc(/C=N\c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(Cl)cc1Cl ZINC000409063844 556940591 /nfs/dbraw/zinc/94/05/91/556940591.db2.gz NOGCCOLDXRFEBV-ZRGSRPPYSA-N 0 0 428.388 6.964 40 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556944097 /nfs/dbraw/zinc/94/40/97/556944097.db2.gz XVICNEBTUGJRLD-YSURURNPSA-N 0 0 435.242 5.461 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc32)C1=O ZINC000409071764 556945671 /nfs/dbraw/zinc/94/56/71/556945671.db2.gz ICJJSJWJMWYKNK-HYARGMPZSA-N 0 0 435.932 6.295 40 30 IKEBRN CC(C)Oc1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Br ZINC000409071575 556945698 /nfs/dbraw/zinc/94/56/98/556945698.db2.gz HHVHYJWYIYMTPX-LSFURLLWSA-N 0 0 446.223 5.609 40 30 IKEBRN C=CCc1cc(C2C3=C(CC(C)(C)CC3=O)N(C)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1O ZINC000409072756 556946293 /nfs/dbraw/zinc/94/62/93/556946293.db2.gz KWJVQMBKHRFHFO-UHFFFAOYSA-N 0 0 449.591 5.445 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(C)n1-c1ccc(C)cc1 ZINC000409080292 556947195 /nfs/dbraw/zinc/94/71/95/556947195.db2.gz MTUUQDIAZKSJOE-YKKQWCMESA-N 0 0 429.633 7.237 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(/N=C/c3ccc(I)o3)sc2C1 ZINC000409081254 556947386 /nfs/dbraw/zinc/94/73/86/556947386.db2.gz KFRJIJZZYRMWRO-JYQBEENSSA-N 0 0 438.334 5.719 40 30 IKEBRN CN(C)c1ccc(/C=N\c2sc3c(c2C(=O)Nc2ccccc2)CC[C@@H](C(C)(C)C)C3)o1 ZINC000409080812 556947495 /nfs/dbraw/zinc/94/74/95/556947495.db2.gz OJKSCXUNUHBOOI-AFSAKMMISA-N 0 0 449.620 6.561 40 30 IKEBRN COc1ccc(OC)c(/C=C2\S/C(=N/c3ccc(Cl)cc3)N(CC(C)C)C2=O)c1 ZINC000409081035 556947497 /nfs/dbraw/zinc/94/74/97/556947497.db2.gz JHRLEJFBHWOGBB-AGSDWXNQSA-N 0 0 430.957 5.617 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(sc(/N=C\c3cccs3)c2C(=O)NCc2ccco2)C1 ZINC000409081782 556947638 /nfs/dbraw/zinc/94/76/38/556947638.db2.gz QOXWUBJHOZISMH-XFRWHIHTSA-N 0 0 426.607 6.234 40 30 IKEBRN Cc1ccsc1/C=N\c1sc2c(c1C(=O)NCc1ccco1)CC[C@H](C(C)(C)C)C2 ZINC000409085867 556948827 /nfs/dbraw/zinc/94/88/27/556948827.db2.gz SVTKLPKJHYAUFS-IMVGLAPISA-N 0 0 440.634 6.543 40 30 IKEBRN COc1cc(/C=N/c2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(Cl)c1OC(C)C ZINC000409079802 556948934 /nfs/dbraw/zinc/94/89/34/556948934.db2.gz MAGIQJUMXQYAQO-BYEGDDEQSA-N 0 0 445.028 6.971 40 30 IKEBRN CC1=NOC(=O)/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 ZINC000409079236 556949037 /nfs/dbraw/zinc/94/90/37/556949037.db2.gz AIRPXWWBELPTBT-PQMHYQBVSA-N 0 0 431.102 6.195 40 30 IKEBRN COc1cc(CN=Nc2ccc(C(F)(F)F)cn2)ccc1OCc1ccc(Cl)cc1 ZINC000409094950 556950273 /nfs/dbraw/zinc/95/02/73/556950273.db2.gz GPQLBSQFJUDSDO-LUOAPIJWSA-N 0 0 435.833 5.787 40 30 IKEBRN CCCN1C(=O)/C(=C/c2cccc(Br)c2)S/C1=N/c1ccc(Cl)cc1 ZINC000409087119 556950690 /nfs/dbraw/zinc/95/06/90/556950690.db2.gz AQGNBVQOZABVKL-UKUDRTMLSA-N 0 0 435.774 6.117 40 30 IKEBRN COc1cc([N+](=O)[O-])cc(/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1OC ZINC000409088123 556950824 /nfs/dbraw/zinc/95/08/24/556950824.db2.gz DHQWUOQZMWUCGU-KPQXCZDLSA-N 0 0 427.526 5.447 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000409087866 556950859 /nfs/dbraw/zinc/95/08/59/556950859.db2.gz IFXYNYFVYPJMDR-DEDYPNTBSA-N 0 0 427.497 5.198 40 30 IKEBRN COc1cc(/C=C2\C(=O)ON=C2c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 ZINC000409089225 556951310 /nfs/dbraw/zinc/95/13/10/556951310.db2.gz YXJGFCCHDKRUGU-NDENLUEZSA-N 0 0 433.891 5.581 40 30 IKEBRN Cc1ccc(-c2ccc(/C=N/c3sc4c(c3C#N)CC[C@H](C(C)(C)C)C4)o2)c([N+](=O)[O-])c1 ZINC000409090189 556951623 /nfs/dbraw/zinc/95/16/23/556951623.db2.gz MDFXFIBQDFEMSK-JZNDDVEWSA-N 0 0 447.560 6.998 40 30 IKEBRN C#CCOc1ccc(Cl)cc1/C=C1/S/C(=N\c2ccccc2)N(c2ccccc2)C1=O ZINC000409090497 556951658 /nfs/dbraw/zinc/95/16/58/556951658.db2.gz PSWOTNOSGASGKP-ACWMPWAISA-N 0 0 444.943 6.161 40 30 IKEBRN O=C1ON=C(c2ccccc2)/C1=C/c1ccc(OCc2cccc3ccccc32)c(Cl)c1 ZINC000409091634 556951862 /nfs/dbraw/zinc/95/18/62/556951862.db2.gz QUIYRLXIHJSHPL-HAHDFKILSA-N 0 0 439.898 6.417 40 30 IKEBRN COc1cc(CN=Nc2ncccc2[N+](=O)[O-])ccc1OCc1cccc2ccccc21 ZINC000409096540 556953299 /nfs/dbraw/zinc/95/32/99/556953299.db2.gz FWLNHEJVZZKTJB-CVKSISIWSA-N 0 0 428.448 5.177 40 30 IKEBRN C=CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O ZINC000409100078 556954999 /nfs/dbraw/zinc/95/49/99/556954999.db2.gz PSFWKFWJNPKCEE-LICLKQGHSA-N 0 0 438.307 5.934 40 30 IKEBRN FC(F)(F)c1ccc(N=NCc2ccc(-c3ccc(Br)c(Cl)c3)o2)nc1 ZINC000409101880 556956005 /nfs/dbraw/zinc/95/60/05/556956005.db2.gz ZIMYLYQAAFAREZ-PGGKNCGUSA-N 0 0 444.638 6.222 40 30 IKEBRN Cc1ccc(-c2ccc(CN=Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])o2)cc1[N+](=O)[O-] ZINC000409109159 556956861 /nfs/dbraw/zinc/95/68/61/556956861.db2.gz YSTUZYMNZVKZGL-AUEPDCJTSA-N 0 0 434.330 5.536 40 30 IKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(CN=Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])o1 ZINC000409106476 556958935 /nfs/dbraw/zinc/95/89/35/556958935.db2.gz MIOFTIKMLJYCEF-RMORIDSASA-N 0 0 434.330 5.536 40 30 IKEBRN O=[N+]([O-])c1cc(C(F)(F)F)ccc1N=NCc1ccc(-c2ccc(Cl)c(Cl)c2)o1 ZINC000409107114 556959063 /nfs/dbraw/zinc/95/90/63/556959063.db2.gz UZFWYVBZGNEYCS-OPVMPGTRSA-N 0 0 444.196 6.626 40 30 IKEBRN Cc1cc(C)nc(Sc2ccc(/C=N/c3sc4c(c3C#N)CCCC4)cc2[N+](=O)[O-])n1 ZINC000409117265 556960124 /nfs/dbraw/zinc/96/01/24/556960124.db2.gz LEOUZHCPGCIFCJ-WYMPLXKRSA-N 0 0 449.561 5.715 40 30 IKEBRN CC(=O)Nc1ccccc1Sc1ccc([N+](=O)[O-])cc1/C=N\c1cccc(Cl)c1 ZINC000409117116 556960151 /nfs/dbraw/zinc/96/01/51/556960151.db2.gz KSBUFRASBAYMNA-QRVIBDJDSA-N 0 0 425.897 6.108 40 30 IKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OCC)c1OCc1cccc(Cl)c1 ZINC000409120035 556961068 /nfs/dbraw/zinc/96/10/68/556961068.db2.gz SQGKCBXGJYVOKH-UHFFFAOYSA-N 0 0 435.995 7.275 40 30 IKEBRN C=CCc1cc(CNc2cccc(C)c2C)cc(OC)c1OCc1cccc2ccccc21 ZINC000409121591 556961709 /nfs/dbraw/zinc/96/17/09/556961709.db2.gz YRRMHPWDUYZTRF-UHFFFAOYSA-N 0 0 437.583 7.385 40 30 IKEBRN Cc1cccc(C(=O)Oc2ccccc2C=Nn2c(=O)c3ccccc3nc2-c2ccco2)c1 ZINC000409122979 556961996 /nfs/dbraw/zinc/96/19/96/556961996.db2.gz CYCPFZFIOKVJID-UHFFFAOYSA-N 0 0 449.466 5.066 40 30 IKEBRN CCc1cccc2c(C=C3C(=O)c4ccccc4C3=O)cn(Cc3c(F)cccc3Cl)c21 ZINC000409125318 556964947 /nfs/dbraw/zinc/96/49/47/556964947.db2.gz DVZMQFAPPYSADK-UHFFFAOYSA-N 0 0 443.905 6.507 40 30 IKEBRN C=CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O ZINC000409139896 556971619 /nfs/dbraw/zinc/97/16/19/556971619.db2.gz CIHMMKMQFHUFLL-LICLKQGHSA-N 0 0 437.710 5.305 40 30 IKEBRN Cc1ccc(/N=C2/S[C@H](Cc3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 ZINC000409149343 556974371 /nfs/dbraw/zinc/97/43/71/556974371.db2.gz CAZWPTZKOPMNOL-KXYXFYQNSA-N 0 0 441.556 5.250 40 30 IKEBRN Cc1ccc(/N=C2/S[C@@H](Cc3ccccc3OCc3ccccc3C#N)C(=O)N2C)cc1 ZINC000409149342 556974428 /nfs/dbraw/zinc/97/44/28/556974428.db2.gz CAZWPTZKOPMNOL-HZNCDDNJSA-N 0 0 441.556 5.250 40 30 IKEBRN N#Cc1ccccc1COc1ccccc1C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000409160271 556975006 /nfs/dbraw/zinc/97/50/06/556975006.db2.gz FNDQTIGHHOSKRC-QFIPXVFZSA-N 0 0 448.931 5.602 40 30 IKEBRN CC(C)N1c2ccccc2/C(=N\c2sc3c(c2C(=O)NC2CCCCC2)CCCC3)C1=O ZINC000409142900 556975502 /nfs/dbraw/zinc/97/55/02/556975502.db2.gz FBOIJBYODIMSTF-WEMUOSSPSA-N 0 0 449.620 5.565 40 30 IKEBRN COc1ccc(Br)c2c1/C(=N/OC(=O)c1ccccc1-c1ccccc1)CC2 ZINC000409144142 556975707 /nfs/dbraw/zinc/97/57/07/556975707.db2.gz IIAPXVCZLMPFDR-LKUDQCMESA-N 0 0 436.305 5.632 40 30 IKEBRN N#Cc1ccccc1CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O ZINC000409163236 556978009 /nfs/dbraw/zinc/97/80/09/556978009.db2.gz NYDSZITXXNGNJR-YDZHTSKRSA-N 0 0 444.487 5.513 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)S/C1=N/c1ccccc1 ZINC000409154990 556979410 /nfs/dbraw/zinc/97/94/10/556979410.db2.gz HYTOOXQAFJTMIX-IZSQXYTLSA-N 0 0 433.489 5.787 40 30 IKEBRN Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4C#N)C3=O)cc2)c1 ZINC000409166424 556979816 /nfs/dbraw/zinc/97/98/16/556979816.db2.gz DQYFCWCFZTWGGW-ZVHZXABRSA-N 0 0 440.524 5.682 40 30 IKEBRN Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc1 ZINC000409167872 556980974 /nfs/dbraw/zinc/98/09/74/556980974.db2.gz OWZUDNRNLRONGW-ZVHZXABRSA-N 0 0 440.524 5.682 40 30 IKEBRN C=CCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br ZINC000409179195 556987624 /nfs/dbraw/zinc/98/76/24/556987624.db2.gz QHVOIXQZWNPNSS-UHFFFAOYSA-N 0 0 431.555 6.042 40 30 IKEBRN CC(C)(C)c1cc(/C=C2/SC(=O)N(Cc3ccccc3C#N)C2=O)cc(C(C)(C)C)c1O ZINC000409174309 556988424 /nfs/dbraw/zinc/98/84/24/556988424.db2.gz ROULTDZZZARKRO-FYJGNVAPSA-N 0 0 448.588 6.095 40 30 IKEBRN C/C(=N\N1C(=O)CN(Cc2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1 ZINC000409183327 556990248 /nfs/dbraw/zinc/99/02/48/556990248.db2.gz BHUINOIVNXVXGS-MSIOFZDNSA-N 0 0 448.910 5.015 40 30 IKEBRN CCOc1ccc(-n2c(C)cc(/C=C3\SC(=Nc4ccccc4C)NC3=O)c2C)cc1 ZINC000409186780 556991231 /nfs/dbraw/zinc/99/12/31/556991231.db2.gz HTQKKACMUARUIM-HAHDFKILSA-N 0 0 431.561 5.693 40 30 IKEBRN C=CCc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(OCC)c1OCC ZINC000409192409 556992230 /nfs/dbraw/zinc/99/22/30/556992230.db2.gz WWYDZBYUGYKXSC-XSFVSMFZSA-N 0 0 443.952 6.107 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000409198958 556993656 /nfs/dbraw/zinc/99/36/56/556993656.db2.gz ALPFFTWUZYUJNG-YDZHTSKRSA-N 0 0 436.316 5.520 40 30 IKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1 ZINC000409209578 556996213 /nfs/dbraw/zinc/99/62/13/556996213.db2.gz COEICJBESGNZRR-DHRITJCHSA-N 0 0 444.756 6.749 40 30 IKEBRN COc1ccc(CN/N=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)cc1OC ZINC000020196040 556996796 /nfs/dbraw/zinc/99/67/96/556996796.db2.gz IDTOTDGWIOAOQI-RWPZCVJISA-N 0 0 433.939 5.484 40 30 IKEBRN COc1ccc(CN/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC ZINC000020195720 556996868 /nfs/dbraw/zinc/99/68/68/556996868.db2.gz SSGSAOJUQCDPIC-LGJNPRDNSA-N 0 0 445.346 5.713 40 30 IKEBRN COc1ccc(CN/N=C/c2cn(Cc3cccc4ccccc43)c3ccccc23)cc1OC ZINC000020196052 556996877 /nfs/dbraw/zinc/99/68/77/556996877.db2.gz SRHHZNNQSMBNDW-FDAWAROLSA-N 0 0 449.554 5.984 40 30 IKEBRN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccccc3)cc2Br)c([N+](=O)[O-])c1 ZINC000409207836 556996941 /nfs/dbraw/zinc/99/69/41/556996941.db2.gz BATCIYMRNXVHSA-CIAFOILYSA-N 0 0 442.225 5.808 40 30 IKEBRN COc1ccc(CN/N=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc1OC ZINC000020196038 556996920 /nfs/dbraw/zinc/99/69/20/556996920.db2.gz IQLAVNYHMZDXAZ-RWPZCVJISA-N 0 0 433.939 5.484 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 ZINC000409208049 556996987 /nfs/dbraw/zinc/99/69/87/556996987.db2.gz ALYFUEDTOCVQLB-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(Cl)cc3Cl)c2C)cc1OC ZINC000020196201 556997090 /nfs/dbraw/zinc/99/70/90/556997090.db2.gz XEIDWWKWTKPWRF-LGJNPRDNSA-N 0 0 432.351 5.542 40 30 IKEBRN COc1ccc(CN/N=C/c2cc(C)n(-c3ccc(Cl)c(Cl)c3)c2C)cc1OC ZINC000020196198 556997172 /nfs/dbraw/zinc/99/71/72/556997172.db2.gz XGCWZFQYJPAMPT-LGJNPRDNSA-N 0 0 432.351 5.542 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)cc1 ZINC000409208276 556997276 /nfs/dbraw/zinc/99/72/76/556997276.db2.gz AFHXDXPZYDURDY-AFUMVMLFSA-N 0 0 440.883 5.985 40 30 IKEBRN COc1ccc(CN/N=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)cc1OC ZINC000020196635 556997400 /nfs/dbraw/zinc/99/74/00/556997400.db2.gz CDSXDXLMXMJVHX-MUFRIFMGSA-N 0 0 447.966 5.792 40 30 IKEBRN Cc1ccccc1/N=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 ZINC000409208488 556997452 /nfs/dbraw/zinc/99/74/52/556997452.db2.gz BYLMCZKDOUBWFD-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2cc(Cl)ccc2C)cc1Br ZINC000409208653 556997786 /nfs/dbraw/zinc/99/77/86/556997786.db2.gz DLAHESVJWQLQNX-UFFVCSGVSA-N 0 0 445.582 6.713 40 30 IKEBRN CCCOc1c(I)cc(/C=N/c2ccc(OCC)cc2)cc1OC ZINC000409199534 556998827 /nfs/dbraw/zinc/99/88/27/556998827.db2.gz DKCCTHIEAYADCB-FYJGNVAPSA-N 0 0 439.293 5.238 40 30 IKEBRN O=C(C=CNc1ccc(Br)cc1Br)c1cccc2ccccc21 ZINC000409180494 556999275 /nfs/dbraw/zinc/99/92/75/556999275.db2.gz YNNKKQBBEPJNGD-ZHACJKMWSA-N 0 0 431.127 6.173 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409200114 556999516 /nfs/dbraw/zinc/99/95/16/556999516.db2.gz GSQBFLGOFLLZKN-BRJLIKDPSA-N 0 0 445.302 6.548 40 30 IKEBRN COc1ccc(/N=C/c2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 ZINC000409200494 556999946 /nfs/dbraw/zinc/99/99/46/556999946.db2.gz HPWHOVZBIQEJHZ-DHRITJCHSA-N 0 0 444.300 5.935 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409202699 557001662 /nfs/dbraw/zinc/00/16/62/557001662.db2.gz TUNHWFNROZQOQE-UVHMKAGCSA-N 0 0 448.777 7.684 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000409202672 557001697 /nfs/dbraw/zinc/00/16/97/557001697.db2.gz SSGWYXCMAXVZES-KKMKTNMSSA-N 0 0 448.777 7.602 40 30 IKEBRN CCCOc1c(Br)cc(/C=N/c2cc(C)ccc2C)cc1Br ZINC000409203487 557002412 /nfs/dbraw/zinc/00/24/12/557002412.db2.gz XKJDBHCKEKEUCZ-SRZZPIQSSA-N 0 0 425.164 6.368 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 ZINC000409204895 557003304 /nfs/dbraw/zinc/00/33/04/557003304.db2.gz LQKUZPYNASRRQY-AFUMVMLFSA-N 0 0 428.757 6.995 40 30 IKEBRN COc1ccc(/N=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc32)cc1 ZINC000409209864 557004273 /nfs/dbraw/zinc/00/42/73/557004273.db2.gz GLTPKNUSLRPZFV-RWPZCVJISA-N 0 0 436.338 7.485 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1CNc1ccccc1Cl ZINC000409184419 557004694 /nfs/dbraw/zinc/00/46/94/557004694.db2.gz WSXGRWNPGIRPFY-UHFFFAOYSA-N 0 0 431.555 6.042 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)cc(I)c1OCC ZINC000409210408 557004838 /nfs/dbraw/zinc/00/48/38/557004838.db2.gz JPRJQTPYEFWIKL-SRZZPIQSSA-N 0 0 443.712 5.801 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 ZINC000409210818 557005391 /nfs/dbraw/zinc/00/53/91/557005391.db2.gz MOSBIYASIIZAKE-ZMOGYAJESA-N 0 0 430.729 6.441 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409210989 557005636 /nfs/dbraw/zinc/00/56/36/557005636.db2.gz LGJNAZDTVLFAMM-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN Brc1ccc(COc2ccc(/C=N/c3ccco3)cc2)c(Br)c1 ZINC000409185085 557005928 /nfs/dbraw/zinc/00/59/28/557005928.db2.gz RUMCHAJPDQTZQT-SRZZPIQSSA-N 0 0 435.115 6.134 40 30 IKEBRN COc1ccc([C@H]2N(Cc3ccccc3)CC(=O)N2/N=C(\C)c2ccc(Cl)cc2)cc1 ZINC000409185576 557006437 /nfs/dbraw/zinc/00/64/37/557006437.db2.gz MSZJPBNNTMTGIK-QTPRHWQCSA-N 0 0 433.939 5.116 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1C(C)C ZINC000409211767 557006456 /nfs/dbraw/zinc/00/64/56/557006456.db2.gz KBVWAWCVBFBSRS-AUCMGLCLSA-N 0 0 433.371 5.798 40 30 IKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000409212211 557006650 /nfs/dbraw/zinc/00/66/50/557006650.db2.gz ORYNAMJLYZJJTJ-LGJNPRDNSA-N 0 0 443.330 6.079 40 30 IKEBRN CCOc1c(I)cc(/C=N/c2cc(Cl)ccc2C)cc1OC ZINC000409212214 557006670 /nfs/dbraw/zinc/00/66/70/557006670.db2.gz OSRZEILGFNIBBF-KEBDBYFISA-N 0 0 429.685 5.411 40 30 IKEBRN COc1cc(/C=N/c2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Cl ZINC000409212738 557007287 /nfs/dbraw/zinc/00/72/87/557007287.db2.gz QIKPAGYOPSGLIK-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN COc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1Cl ZINC000409212815 557007293 /nfs/dbraw/zinc/00/72/93/557007293.db2.gz RDEXOPAUTVGXGR-RPPGKUMJSA-N 0 0 434.750 7.293 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409212694 557007306 /nfs/dbraw/zinc/00/73/06/557007306.db2.gz PNKAENGCLMDYCM-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN C#CCOc1c(Br)cc(/C=N/c2ccc(Oc3ccccc3)cc2)cc1OC ZINC000409213028 557007579 /nfs/dbraw/zinc/00/75/79/557007579.db2.gz RZVRIFAJSWHFTK-PCLIKHOPSA-N 0 0 436.305 6.013 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409213221 557007838 /nfs/dbraw/zinc/00/78/38/557007838.db2.gz TVOZYOIPFMIZBJ-RPPGKUMJSA-N 0 0 434.801 7.118 40 30 IKEBRN Cc1ccc(/N=C/c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1Cl ZINC000409213378 557007845 /nfs/dbraw/zinc/00/78/45/557007845.db2.gz TZRPKTIPRUWPMB-RPPGKUMJSA-N 0 0 434.801 7.118 40 30 IKEBRN Fc1ccccc1COc1ccc2ccccc2c1/C=N/c1ccc(Oc2ccccc2)cc1 ZINC000409213562 557008043 /nfs/dbraw/zinc/00/80/43/557008043.db2.gz SEHZEWPUKNXOPT-UZWMFBFFSA-N 0 0 447.509 8.101 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1/C=N/c1cccc(Cl)c1C ZINC000409214134 557008620 /nfs/dbraw/zinc/00/86/20/557008620.db2.gz WFLPAERWTZGNKN-UFFVCSGVSA-N 0 0 443.566 6.489 40 30 IKEBRN CCCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OCC ZINC000409214207 557008645 /nfs/dbraw/zinc/00/86/45/557008645.db2.gz WQBOYUMUZDZHBK-LPYMAVHISA-N 0 0 437.321 5.846 40 30 IKEBRN COC(=O)c1ccccc1/N=C/c1ccc(-c2cc(Cl)ccc2C(=O)OC(C)C)o1 ZINC000409188403 557009259 /nfs/dbraw/zinc/00/92/59/557009259.db2.gz HFURXPXIGFCETP-DHRITJCHSA-N 0 0 425.868 5.702 40 30 IKEBRN CCOC(=O)c1ccc(/N=C/c2ccc(-c3cc(Cl)ccc3C(=O)OC(C)C)o2)cc1 ZINC000409188557 557009398 /nfs/dbraw/zinc/00/93/98/557009398.db2.gz DCVUSZMBVHIENF-VULFUBBASA-N 0 0 439.895 6.093 40 30 IKEBRN CCN1c2ccccc2/C(=C\c2cc(C)n(-c3sc4c(c3C#N)CCCC4)c2C)C1=O ZINC000409193100 557010072 /nfs/dbraw/zinc/01/00/72/557010072.db2.gz BQQAJPVCGAAIMA-KGENOOAVSA-N 0 0 427.573 5.813 40 30 IKEBRN N#Cc1ccccc1COc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000409191361 557010075 /nfs/dbraw/zinc/01/00/75/557010075.db2.gz WLELWDDSQUNKNM-LPYMAVHISA-N 0 0 446.915 6.032 40 30 IKEBRN CCc1ccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)cc1 ZINC000409215627 557010416 /nfs/dbraw/zinc/01/04/16/557010416.db2.gz CNVPJHWHBYVJFS-OGLMXYFKSA-N 0 0 444.372 7.494 40 30 IKEBRN COc1cc(/C=N/c2cc(C)ccc2C)cc(Br)c1OCc1ccccc1F ZINC000409215558 557010452 /nfs/dbraw/zinc/01/04/52/557010452.db2.gz BFMPAFBTVAHWFV-LGJNPRDNSA-N 0 0 442.328 6.543 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000409215929 557010705 /nfs/dbraw/zinc/01/07/05/557010705.db2.gz GNPUZWRHADRFEE-UVHMKAGCSA-N 0 0 448.828 7.372 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000409216021 557010947 /nfs/dbraw/zinc/01/09/47/557010947.db2.gz DATUOLMESAACPZ-ZMOGYAJESA-N 0 0 439.309 6.304 40 30 IKEBRN Cc1ccc(/N=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)cc1Cl ZINC000409216421 557011446 /nfs/dbraw/zinc/01/14/46/557011446.db2.gz KYUJJHOOYDJNIS-JFLMPSFJSA-N 0 0 430.891 7.039 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1Cl ZINC000409217019 557011854 /nfs/dbraw/zinc/01/18/54/557011854.db2.gz QUZMDDUAVJHQLM-JFLMPSFJSA-N 0 0 428.359 7.284 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OCc2ccccc2Cl)cc1 ZINC000409216959 557011887 /nfs/dbraw/zinc/01/18/87/557011887.db2.gz MQGKWBUMFISGQH-AFUMVMLFSA-N 0 0 428.757 6.995 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(F)c1 ZINC000409217433 557012275 /nfs/dbraw/zinc/01/22/75/557012275.db2.gz UUJRPBNAVVBMQA-NDZAJKAJSA-N 0 0 441.502 7.346 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)cc1 ZINC000409217839 557012377 /nfs/dbraw/zinc/01/23/77/557012377.db2.gz XHQULMDDIBMWSO-OEAKJJBVSA-N 0 0 437.408 5.453 40 30 IKEBRN Cc1ccc(NC(=O)COc2c(Cl)cc(/C=N/c3ccccc3)cc2Cl)cc1Cl ZINC000409217883 557012414 /nfs/dbraw/zinc/01/24/14/557012414.db2.gz XYXFOTIRNKQYRQ-RPPGKUMJSA-N 0 0 447.749 6.723 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2cc(Cl)ccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 ZINC000409217868 557012480 /nfs/dbraw/zinc/01/24/80/557012480.db2.gz XUGYTVBZCDWQNO-FSJBWODESA-N 0 0 425.828 6.316 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1C ZINC000409218333 557012636 /nfs/dbraw/zinc/01/26/36/557012636.db2.gz UDCKABKOBFKSRX-KKMKTNMSSA-N 0 0 448.828 7.427 40 30 IKEBRN Clc1ccc(COc2ccc(/C=N/c3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 ZINC000409199038 557012766 /nfs/dbraw/zinc/01/27/66/557012766.db2.gz BCGYVNRVCRORGO-STBIYBPSSA-N 0 0 448.349 8.115 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1c(OCc2ccc([N+](=O)[O-])cc2)ccc2ccccc21 ZINC000409218455 557012907 /nfs/dbraw/zinc/01/29/07/557012907.db2.gz VHMKMMGQTXADNV-JFLMPSFJSA-N 0 0 430.891 7.039 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 ZINC000409199271 557013031 /nfs/dbraw/zinc/01/30/31/557013031.db2.gz BDMWLWCGLVNIQC-MZJWZYIUSA-N 0 0 428.359 7.339 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=N/c2cccc(C)c2C)cc1Cl ZINC000409199477 557013222 /nfs/dbraw/zinc/01/32/22/557013222.db2.gz CZYRITGSGKBIJS-UVHMKAGCSA-N 0 0 441.358 6.687 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)c(C)c1 ZINC000409202653 557013710 /nfs/dbraw/zinc/01/37/10/557013710.db2.gz SMCYNMSQSWEAPS-KKMKTNMSSA-N 0 0 448.828 7.427 40 30 IKEBRN CCOc1ccc(/N=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1 ZINC000409201060 557014014 /nfs/dbraw/zinc/01/40/14/557014014.db2.gz LOSLYZIKJTWCHC-AFUMVMLFSA-N 0 0 428.301 6.317 40 30 IKEBRN Cc1ccc(NC(=O)COc2ccc3ccccc3c2/C=N/c2ccccc2C)cc1Cl ZINC000409201596 557014308 /nfs/dbraw/zinc/01/43/08/557014308.db2.gz MWHMECMIHUQOGR-MUFRIFMGSA-N 0 0 442.946 6.878 40 30 IKEBRN CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3C#N)c(Cl)c2)C1=O ZINC000409201282 557014324 /nfs/dbraw/zinc/01/43/24/557014324.db2.gz LFDCSMZUWMBRPU-BKUYFWCQSA-N 0 0 440.952 6.017 40 30 IKEBRN Cc1cccc(Cn2cc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)c3ccccc32)c1 ZINC000409201342 557014373 /nfs/dbraw/zinc/01/43/73/557014373.db2.gz LQTLXIVVQLHJQI-JAYUVETPSA-N 0 0 431.605 6.087 40 30 IKEBRN Cc1cccc(/N=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Cl)c2)c1C ZINC000409202297 557014712 /nfs/dbraw/zinc/01/47/12/557014712.db2.gz QWOGHPJBFAPNSJ-FSJBWODESA-N 0 0 425.828 6.316 40 30 IKEBRN COc1cc(/C=N/c2ccccc2C)cc(Br)c1OCc1ccc(F)cc1 ZINC000409203781 557015309 /nfs/dbraw/zinc/01/53/09/557015309.db2.gz XYNDIDILFHNUHC-DHRITJCHSA-N 0 0 428.301 6.235 40 30 IKEBRN COc1ccccc1Oc1ccc(/N=C/c2cc(C)n(NC(=O)c3ccccc3)c2C)cc1 ZINC000409203133 557015763 /nfs/dbraw/zinc/01/57/63/557015763.db2.gz WHHVKJARSXPNJZ-MTDXEUNCSA-N 0 0 439.515 6.040 40 30 IKEBRN COc1ccc(/N=C/c2cc(Cl)c(OCc3cccc4ccccc43)c(OC)c2)cc1 ZINC000409202912 557015822 /nfs/dbraw/zinc/01/58/22/557015822.db2.gz UGBSRBPRJXLSRN-LQKURTRISA-N 0 0 431.919 6.840 40 30 IKEBRN O=C(COc1ccc(Cl)cc1/C=N/c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 ZINC000409220411 557016130 /nfs/dbraw/zinc/01/61/30/557016130.db2.gz YXNGYONVJDCKIX-WYMPLXKRSA-N 0 0 444.274 5.670 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1c(OCc2cccc3ccccc32)ccc2ccccc21 ZINC000409206541 557016431 /nfs/dbraw/zinc/01/64/31/557016431.db2.gz WXGSPGDTKLGHBD-FDAWAROLSA-N 0 0 435.954 8.284 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(C)n(Cc3ccccc3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409221176 557016824 /nfs/dbraw/zinc/01/68/24/557016824.db2.gz LYVKSMVARMTZGZ-VCICBFQVSA-N 0 0 433.552 5.916 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=N/c3ccc(Oc4cccc(Cl)c4)cc3)cc2)cc1 ZINC000409221598 557017084 /nfs/dbraw/zinc/01/70/84/557017084.db2.gz SQRLLLRCXFOHSJ-MTDXEUNCSA-N 0 0 429.972 8.343 40 30 IKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(C)cc2C)cc1OCC ZINC000409208185 557018199 /nfs/dbraw/zinc/01/81/99/557018199.db2.gz BSXJHWSWWXGWSD-LPYMAVHISA-N 0 0 435.305 5.622 40 30 IKEBRN CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)cc3)c2C)S/C1=N/c1ccc(F)cc1 ZINC000409236869 557018830 /nfs/dbraw/zinc/01/88/30/557018830.db2.gz HQOTXHDVPDIDFG-GOESLVMASA-N 0 0 433.552 6.166 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccccc2)cc1 ZINC000409207903 557019090 /nfs/dbraw/zinc/01/90/90/557019090.db2.gz CJLIXYRHFRKWEP-HZHRSRAPSA-N 0 0 444.350 5.530 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(C)cc2)S/C1=N/c1ccc(F)cc1 ZINC000409237344 557019086 /nfs/dbraw/zinc/01/90/86/557019086.db2.gz IFFXXQZFUPBTLS-AOFZEWBLSA-N 0 0 446.547 6.337 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1ccc(OCc2ccccc2Cl)c(Br)c1 ZINC000409208076 557019381 /nfs/dbraw/zinc/01/93/81/557019381.db2.gz ARJYQWLGYYRCTF-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(/C=N/c3cc(Cl)ccc3C)cc2Cl)cc1 ZINC000409207964 557019428 /nfs/dbraw/zinc/01/94/28/557019428.db2.gz DJNUOMDPUNKODP-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN CCCOc1c(Br)cc(Br)cc1/C=N/c1ccc(C)c(C)c1 ZINC000409207969 557019448 /nfs/dbraw/zinc/01/94/48/557019448.db2.gz ADQRDUPGYQHMNZ-SRZZPIQSSA-N 0 0 425.164 6.368 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409208371 557019492 /nfs/dbraw/zinc/01/94/92/557019492.db2.gz BEBFXLOQEZUEFV-MFKUBSTISA-N 0 0 443.952 5.874 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)cc2OC)S/C1=N/c1ccc(F)cc1 ZINC000409238333 557019804 /nfs/dbraw/zinc/01/98/04/557019804.db2.gz WYZONUDTVYBNBR-UMUYUUQJSA-N 0 0 439.556 5.449 40 30 IKEBRN C=CCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC ZINC000409208891 557020013 /nfs/dbraw/zinc/02/00/13/557020013.db2.gz ASKZJVXFPBUTOO-LPYMAVHISA-N 0 0 435.305 5.622 40 30 IKEBRN Cc1ccc(C)c(/N=C/c2c(OS(=O)(=O)c3ccc(Cl)cc3)ccc3ccccc32)c1 ZINC000409208885 557020042 /nfs/dbraw/zinc/02/00/42/557020042.db2.gz ARIYONAGODQUPL-JVWAILMASA-N 0 0 449.959 6.628 40 30 IKEBRN Cc1cccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1C ZINC000409208966 557020134 /nfs/dbraw/zinc/02/01/34/557020134.db2.gz BEUJKUAYCKZXDE-AFUMVMLFSA-N 0 0 437.337 5.834 40 30 IKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3/S/C(=N\C(C)C)N(C(C)C)C3=O)o2)cc1 ZINC000409209018 557020298 /nfs/dbraw/zinc/02/02/98/557020298.db2.gz DZJJLINHGYNJBT-PGBYLALNSA-N 0 0 426.538 5.212 40 30 IKEBRN COc1cc(/C=N/c2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409209150 557020335 /nfs/dbraw/zinc/02/03/35/557020335.db2.gz GBOIPYSBYMNVEV-ZVHZXABRSA-N 0 0 429.925 5.484 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000409210057 557020380 /nfs/dbraw/zinc/02/03/80/557020380.db2.gz HUIBTUAYRRIFAU-VULFUBBASA-N 0 0 438.911 6.593 40 30 IKEBRN Clc1ccc(OCc2ccccc2Cl)c(/C=N/c2ccc(Oc3ccccc3)cc2)c1 ZINC000409209969 557020727 /nfs/dbraw/zinc/02/07/27/557020727.db2.gz IVADKONDEOMALT-STBIYBPSSA-N 0 0 448.349 8.115 40 30 IKEBRN C#CCOc1c(I)cc(/C=N/c2cccc(Cl)c2C)cc1OC ZINC000409209782 557020740 /nfs/dbraw/zinc/02/07/40/557020740.db2.gz IATLLDXIYWUKNZ-SRZZPIQSSA-N 0 0 439.680 5.024 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409210507 557020991 /nfs/dbraw/zinc/02/09/91/557020991.db2.gz KPHXCOZJNJYZCU-ZVHZXABRSA-N 0 0 429.925 5.484 40 30 IKEBRN Cc1ccc(/N=C/c2c(OCc3cccc4ccccc43)ccc3ccccc32)cc1Cl ZINC000409210610 557021070 /nfs/dbraw/zinc/02/10/70/557021070.db2.gz LSRKELZXXGTAEE-FDAWAROLSA-N 0 0 435.954 8.284 40 30 IKEBRN Cc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c(C)c1 ZINC000409210372 557022035 /nfs/dbraw/zinc/02/20/35/557022035.db2.gz KORYKTHHFYKVGI-UVHMKAGCSA-N 0 0 441.358 6.687 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409231414 557022917 /nfs/dbraw/zinc/02/29/17/557022917.db2.gz JZTOTEPNKXUOHG-LRXZINBSSA-N 0 0 438.936 6.233 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1cc(Br)ccc1OCc1cccc(F)c1 ZINC000409210963 557023208 /nfs/dbraw/zinc/02/32/08/557023208.db2.gz MGFWGKKPRPLYFG-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)ccc1OCc1ccccc1F ZINC000409210940 557023320 /nfs/dbraw/zinc/02/33/20/557023320.db2.gz HOTVDJDKPASADU-MYVOUCEISA-N 0 0 442.556 5.502 40 30 IKEBRN CCOc1cc(/C=N/c2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 ZINC000409211327 557023957 /nfs/dbraw/zinc/02/39/57/557023957.db2.gz MXOFYWDDEWTCFX-CVKSISIWSA-N 0 0 438.365 6.794 40 30 IKEBRN CCN1C(=O)/C(=C\c2cc(Cl)c(OC)c(Cl)c2)S/C1=N/c1ccc(F)cc1 ZINC000409233259 557024636 /nfs/dbraw/zinc/02/46/36/557024636.db2.gz UKRPJHAXQPTIKA-RUWCJYDTSA-N 0 0 425.312 5.765 40 30 IKEBRN C#CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2)C1=O ZINC000409233770 557024931 /nfs/dbraw/zinc/02/49/31/557024931.db2.gz XAKVHOGWRMWSPX-HYARGMPZSA-N 0 0 433.916 5.742 40 30 IKEBRN Cc1c(Cl)cccc1/N=C/c1c(OS(=O)(=O)c2ccccc2)ccc2ccccc21 ZINC000409211445 557025016 /nfs/dbraw/zinc/02/50/16/557025016.db2.gz NPKZXQXHTWORCL-WGOQTCKBSA-N 0 0 435.932 6.320 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 ZINC000409211432 557025070 /nfs/dbraw/zinc/02/50/70/557025070.db2.gz NEEJACIIGLMHHN-MZJWZYIUSA-N 0 0 441.358 6.632 40 30 IKEBRN COc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 ZINC000409211711 557025234 /nfs/dbraw/zinc/02/52/34/557025234.db2.gz OHAWGFCQJCNXMZ-ZMOGYAJESA-N 0 0 430.729 6.441 40 30 IKEBRN CCc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 ZINC000409211715 557025294 /nfs/dbraw/zinc/02/52/94/557025294.db2.gz OHOYTBLVVIWKIU-ZVHZXABRSA-N 0 0 434.344 6.074 40 30 IKEBRN CCCOc1c(I)cc(/C=N/c2ccc(OC)cc2)cc1OCC ZINC000409211488 557025303 /nfs/dbraw/zinc/02/53/03/557025303.db2.gz NXYJQAQJCUUVBP-FYJGNVAPSA-N 0 0 439.293 5.238 40 30 IKEBRN CCOc1cc(/C=N/c2sc3c(c2C#N)CCCC3)ccc1Oc1ccc([N+](=O)[O-])cn1 ZINC000409211807 557025484 /nfs/dbraw/zinc/02/54/84/557025484.db2.gz NCBZZEMBYOMBAC-LGJNPRDNSA-N 0 0 448.504 5.743 40 30 IKEBRN C#CCOc1c(I)cc(/C=N/c2ccc(C)c(C)c2)cc1OCC ZINC000409211954 557025619 /nfs/dbraw/zinc/02/56/19/557025619.db2.gz OVNALAVIUYVLCG-LPYMAVHISA-N 0 0 433.289 5.069 40 30 IKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1cc(Cl)ccc1C ZINC000409212287 557025758 /nfs/dbraw/zinc/02/57/58/557025758.db2.gz OPAFMLNEMNFFII-HPUZYZMBSA-N 0 0 430.017 6.145 40 30 IKEBRN Cc1cc(/C=N/c2ccc(Oc3ccccc3Cl)cc2)c(C)n1NC(=O)c1ccccc1 ZINC000409213416 557025888 /nfs/dbraw/zinc/02/58/88/557025888.db2.gz USMHYENGZVWTSB-OGLMXYFKSA-N 0 0 443.934 6.685 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc3ccccc3c2/C=N/c2cccc(Cl)c2C)cc1 ZINC000409212337 557025940 /nfs/dbraw/zinc/02/59/40/557025940.db2.gz OYZYIZXVHUPTRD-JVWAILMASA-N 0 0 449.959 6.628 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409212672 557026529 /nfs/dbraw/zinc/02/65/29/557026529.db2.gz RONVGVHMJCJCQA-OCSSWDANSA-N 0 0 443.974 7.838 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 ZINC000409212740 557026870 /nfs/dbraw/zinc/02/68/70/557026870.db2.gz QIONZSPUNLVUPF-LGJNPRDNSA-N 0 0 427.331 6.378 40 30 IKEBRN CCc1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 ZINC000409213454 557027120 /nfs/dbraw/zinc/02/71/20/557027120.db2.gz VMTXGLFFONRTRC-MFKUBSTISA-N 0 0 437.337 5.780 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Cl)ccc1OCc1ccc(Br)cc1 ZINC000409212964 557027151 /nfs/dbraw/zinc/02/71/51/557027151.db2.gz NQDKULYVPGAZDE-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN CCOc1cc(/C=N/c2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc21 ZINC000409213116 557027157 /nfs/dbraw/zinc/02/71/57/557027157.db2.gz SKBNMQKYFIRLBT-STBIYBPSSA-N 0 0 429.947 7.530 40 30 IKEBRN COc1cc(C=NN=c2[nH]c3ccccc3s2)c([N+](=O)[O-])cc1OCc1ccccc1 ZINC000409212871 557027161 /nfs/dbraw/zinc/02/71/61/557027161.db2.gz RHISDCPWAALOOR-YDZHTSKRSA-N 0 0 434.477 5.238 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000409213335 557027412 /nfs/dbraw/zinc/02/74/12/557027412.db2.gz SKSROUVBQMMQBW-AFUMVMLFSA-N 0 0 444.756 6.831 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1cccc(Cl)c1 ZINC000409214012 557027951 /nfs/dbraw/zinc/02/79/51/557027951.db2.gz WPXWGHDOTDSRAI-BRJLIKDPSA-N 0 0 449.175 7.394 40 30 IKEBRN Clc1ccc(COc2ccc(Br)cc2/C=N/c2ccccc2)c(Cl)c1 ZINC000409214889 557028037 /nfs/dbraw/zinc/02/80/37/557028037.db2.gz YIDDYZBUVNZHPO-WYMPLXKRSA-N 0 0 435.148 7.086 40 30 IKEBRN Cc1cc(/C=C2/S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc2ccccc2c1 ZINC000409214807 557028056 /nfs/dbraw/zinc/02/80/56/557028056.db2.gz UPMMOKRVEIWYCC-BOSNEQTGSA-N 0 0 431.605 6.336 40 30 IKEBRN CCN1C2=C(C(=O)CC(C)(C)C2)C(c2cccc3ccccc32)C2=C1CC(C)(C)CC2=O ZINC000409217633 557029777 /nfs/dbraw/zinc/02/97/77/557029777.db2.gz DWLLXNLPHRTPLU-UHFFFAOYSA-N 0 0 427.588 6.545 40 30 IKEBRN O=S(=O)(Oc1ccccc1/C=N/c1ccc(Oc2ccccc2)cc1)c1ccccc1 ZINC000409215509 557029858 /nfs/dbraw/zinc/02/98/58/557029858.db2.gz ADWWFKVFKNSZCT-LGUFXXKBSA-N 0 0 429.497 5.997 40 30 IKEBRN Cc1cccc(/N=C/c2cc(Cl)ccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C ZINC000409215458 557029864 /nfs/dbraw/zinc/02/98/64/557029864.db2.gz ZGEWBECNGFMRNR-KKMKTNMSSA-N 0 0 448.828 7.427 40 30 IKEBRN Cc1ccc(COc2ccc(Br)cc2/C=N/c2cc(Cl)ccc2C)cc1 ZINC000409215819 557030073 /nfs/dbraw/zinc/03/00/73/557030073.db2.gz BHUADIGMULQGOH-DHRITJCHSA-N 0 0 428.757 7.049 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2c(Cl)cc(/C=N/c3ccc(C)c(C)c3)cc2Cl)cc1 ZINC000409215907 557030083 /nfs/dbraw/zinc/03/00/83/557030083.db2.gz CATHFECEFCJPER-DHRITJCHSA-N 0 0 448.371 6.437 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2/C=N/c2ccccc2)cc1 ZINC000409215624 557030207 /nfs/dbraw/zinc/03/02/07/557030207.db2.gz CLXXHRCMUQXVOE-HYARGMPZSA-N 0 0 430.323 5.276 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\C(C)C)N(C(C)C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409215872 557030227 /nfs/dbraw/zinc/03/02/27/557030227.db2.gz BVTFNVZNZMWNSD-SASMBBMYSA-N 0 0 426.542 5.091 40 30 IKEBRN CCOc1cc(/C=N/c2ccccc2C)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409215661 557030231 /nfs/dbraw/zinc/03/02/31/557030231.db2.gz CZZWUVZPFXHQAB-MZJWZYIUSA-N 0 0 444.409 6.864 40 30 IKEBRN O=C1NC(=Nc2ccc(Cl)cc2)S/C1=C\c1ccccc1OCc1ccccc1F ZINC000408530537 557030562 /nfs/dbraw/zinc/03/05/62/557030562.db2.gz MHBIPOFSHGNLDJ-BKUYFWCQSA-N 0 0 438.911 5.950 40 30 IKEBRN C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(Br)cc2)C1=O ZINC000408530443 557030611 /nfs/dbraw/zinc/03/06/11/557030611.db2.gz LAFQBWQZRWHKJH-ATVHPVEESA-N 0 0 432.364 5.420 40 30 IKEBRN C#CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br ZINC000409216391 557030950 /nfs/dbraw/zinc/03/09/50/557030950.db2.gz HTPAAGLEMVMUBU-LICLKQGHSA-N 0 0 448.725 5.355 40 30 IKEBRN Clc1cc(/C=N/c2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 ZINC000409216433 557030968 /nfs/dbraw/zinc/03/09/68/557030968.db2.gz IFQNHBZZKRSTGB-WYMPLXKRSA-N 0 0 435.148 7.086 40 30 IKEBRN Cc1ccc(/N=C/c2cc(Cl)c(OS(=O)(=O)c3ccccc3)c(Cl)c2)cc1C ZINC000409217085 557031237 /nfs/dbraw/zinc/03/12/37/557031237.db2.gz NUWBXOONPUFTQP-ZMOGYAJESA-N 0 0 434.344 6.129 40 30 IKEBRN Cc1ccc(/N=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc32)cc1 ZINC000409216964 557031312 /nfs/dbraw/zinc/03/13/12/557031312.db2.gz MRVFHYBBUDCMSP-JVWAILMASA-N 0 0 430.345 7.240 40 30 IKEBRN Cc1cc(/C=C2/SC(=Nc3cccc(Cl)c3C)NC2=O)c(C)n1-c1ccccc1F ZINC000409250775 557031316 /nfs/dbraw/zinc/03/13/16/557031316.db2.gz SCXVZUFJGXDGBA-CIAFOILYSA-N 0 0 439.943 6.087 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409217075 557031371 /nfs/dbraw/zinc/03/13/71/557031371.db2.gz RHTSKHSXXXDBAP-UVHMKAGCSA-N 0 0 444.409 6.782 40 30 IKEBRN CCOc1cc(/C=N/c2cc(Cl)ccc2C)ccc1OCc1cccc2ccccc21 ZINC000409216916 557031392 /nfs/dbraw/zinc/03/13/92/557031392.db2.gz PQAKOASWNMITGJ-STBIYBPSSA-N 0 0 429.947 7.530 40 30 IKEBRN Cc1cccc(COc2ccccc2/C=N\c2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c1 ZINC000409217229 557031589 /nfs/dbraw/zinc/03/15/89/557031589.db2.gz TYRCUQGMTZTADI-AILRPVNASA-N 0 0 442.628 7.409 40 30 IKEBRN COc1cc(/C=N/c2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc2ccccc21 ZINC000409217096 557031601 /nfs/dbraw/zinc/03/16/01/557031601.db2.gz RNGAZWCEEDQTNP-MUFRIFMGSA-N 0 0 429.947 7.448 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1C(C)C ZINC000409217474 557031613 /nfs/dbraw/zinc/03/16/13/557031613.db2.gz VVVLVQYFUBLNGJ-RRJMXWIWSA-N 0 0 428.985 6.008 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)S2)cc1 ZINC000408532788 557031702 /nfs/dbraw/zinc/03/17/02/557031702.db2.gz OYMDCTLSCQKACP-HMAPJEAMSA-N 0 0 434.948 6.119 40 30 IKEBRN CC(C)/N=C1\S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)N1C(C)C ZINC000409217559 557031927 /nfs/dbraw/zinc/03/19/27/557031927.db2.gz DFOGZUXPMGSJOB-HFYOLELGSA-N 0 0 433.917 5.597 40 30 IKEBRN Cc1ccc(Cl)cc1/N=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000409218175 557031951 /nfs/dbraw/zinc/03/19/51/557031951.db2.gz SXDKMHOYTKXDAB-BRJLIKDPSA-N 0 0 432.720 6.880 40 30 IKEBRN Cc1ccc(-c2ccc(/C=N\c3ccc(Br)cc3C)o2)c(Br)c1 ZINC000409241845 557031986 /nfs/dbraw/zinc/03/19/86/557031986.db2.gz SIDFAFXXKITBTF-JJFYIABZSA-N 0 0 433.143 6.839 40 30 IKEBRN CCOc1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 ZINC000409218228 557031995 /nfs/dbraw/zinc/03/19/95/557031995.db2.gz ZKUAIAVZSJRBMA-JFLMPSFJSA-N 0 0 444.358 7.120 40 30 IKEBRN Cc1ccccc1N=C1NC(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)S1 ZINC000409242517 557032628 /nfs/dbraw/zinc/03/26/28/557032628.db2.gz OCTVOVYTKYZMSV-BUVRLJJBSA-N 0 0 441.531 6.029 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2)S/C1=N/c1ccc(F)cc1 ZINC000409242674 557032648 /nfs/dbraw/zinc/03/26/48/557032648.db2.gz SCWXZIWZZPHGNY-VDQGFZQOSA-N 0 0 432.520 6.029 40 30 IKEBRN CCCCCCCCOc1c(Cl)cc(/C=C2/SC(NC(C)=O)=NC2=O)cc1OC ZINC000408540719 557033345 /nfs/dbraw/zinc/03/33/45/557033345.db2.gz VKEHLHCLSDMMSB-QGOAFFKASA-N 0 0 438.977 5.194 40 30 IKEBRN N#Cc1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 ZINC000408538374 557033351 /nfs/dbraw/zinc/03/33/51/557033351.db2.gz LTVURVYETTYZIV-UHFFFAOYSA-N 0 0 445.936 5.425 40 30 IKEBRN CCOc1cc(COc2c(Cl)cc(/C=N\O)cc2OC)ccc1OCc1ccccc1 ZINC000408540016 557033919 /nfs/dbraw/zinc/03/39/19/557033919.db2.gz LTGSYMIWCUNLQX-WGARJPEWSA-N 0 0 441.911 5.713 40 30 IKEBRN COC(=O)c1cccc(Cn2cc(/C=N/c3ccc(NC(C)=O)cc3)c3ccccc32)c1 ZINC000408545003 557034331 /nfs/dbraw/zinc/03/43/31/557034331.db2.gz WUNAISKPDGFOCF-JFLMPSFJSA-N 0 0 425.488 5.185 40 30 IKEBRN CN1C(=O)/C(=C\c2ccc3c(ccn3Cc3cccc(F)c3)c2)SC1=Nc1ccccc1 ZINC000409255004 557034391 /nfs/dbraw/zinc/03/43/91/557034391.db2.gz XLDDQQHWVMXFKB-OFYGDPCRSA-N 0 0 441.531 6.063 40 30 IKEBRN C#CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br ZINC000408556223 557037309 /nfs/dbraw/zinc/03/73/09/557037309.db2.gz IKUDVELRTDWQJM-UHFFFAOYSA-N 0 0 429.539 5.489 40 30 IKEBRN C=CCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br ZINC000408556693 557037539 /nfs/dbraw/zinc/03/75/39/557037539.db2.gz KBWNWXUZMSWMTD-UHFFFAOYSA-N 0 0 431.555 6.042 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(Cl)c(Cl)c3)NC2=O)c(C)n1-c1ccccn1 ZINC000409221334 557037537 /nfs/dbraw/zinc/03/75/37/557037537.db2.gz OQHQUIHEYKYWQZ-ZDLGFXPLSA-N 0 0 443.359 5.688 40 30 IKEBRN Cc1cc(I)ccc1NC=CC(=O)c1ccc(Cl)cc1Cl ZINC000408563975 557039079 /nfs/dbraw/zinc/03/90/79/557039079.db2.gz TUTODPOCAHTTJP-VOTSOKGWSA-N 0 0 432.088 5.715 40 30 IKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(Cl)c1Cl ZINC000408560666 557039416 /nfs/dbraw/zinc/03/94/16/557039416.db2.gz NAKSEYYJCNMSPT-UHFFFAOYSA-N 0 0 441.428 6.015 40 30 IKEBRN C=CCn1c(CCCCCCC)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000408560879 557039723 /nfs/dbraw/zinc/03/97/23/557039723.db2.gz FKKCKPYXBYCTLP-UHFFFAOYSA-N 0 0 440.535 5.727 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C\c3ccc4c(ccn4Cc4cccc(F)c4)c3)S2)c1 ZINC000409221584 557041032 /nfs/dbraw/zinc/04/10/32/557041032.db2.gz SIBVCFBECFVEJB-BUVRLJJBSA-N 0 0 441.531 6.029 40 30 IKEBRN Cc1cc(C)c(NC(=O)COc2ccccc2C=C2C(=O)c3ccccc3C2=O)c(C)c1 ZINC000408574719 557042928 /nfs/dbraw/zinc/04/29/28/557042928.db2.gz CDMZJAMARVLBOZ-UHFFFAOYSA-N 0 0 425.484 5.092 40 30 IKEBRN N#Cc1ccccc1COc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc32)cc1Cl ZINC000408574516 557042990 /nfs/dbraw/zinc/04/29/90/557042990.db2.gz UZXAPUINOJFUJW-OAQYLSRUSA-N 0 0 431.879 5.681 40 30 IKEBRN COc1cc(Cl)cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c1O ZINC000409276816 557044642 /nfs/dbraw/zinc/04/46/42/557044642.db2.gz WSPRUMGYYKEDOK-UHFFFAOYSA-N 0 0 445.862 5.060 40 30 IKEBRN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CSc3nc(C)cc(C)n3)sc2C1 ZINC000408582022 557044892 /nfs/dbraw/zinc/04/48/92/557044892.db2.gz LDLVBKRLWZONIQ-HNNXBMFYSA-N 0 0 428.627 5.299 40 30 IKEBRN CC(C)Oc1ccc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)(C)C)cc1 ZINC000409279863 557046010 /nfs/dbraw/zinc/04/60/10/557046010.db2.gz AADAIYJPNLFCKJ-UHFFFAOYSA-N 0 0 442.357 5.126 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2ccc(OCc3ccccc3)c(Br)c2)c1 ZINC000408587789 557046285 /nfs/dbraw/zinc/04/62/85/557046285.db2.gz AFZDZMIPDNTTFA-YDZHTSKRSA-N 0 0 441.281 5.487 40 30 IKEBRN CCOc1ccc(-n2cccc2C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1 ZINC000409281428 557047134 /nfs/dbraw/zinc/04/71/34/557047134.db2.gz MIYUWUOMNOFQME-UHFFFAOYSA-N 0 0 440.547 5.516 40 30 IKEBRN Cc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)c(C)n1-c1ccc(C)cn1 ZINC000409281480 557047147 /nfs/dbraw/zinc/04/71/47/557047147.db2.gz DPGYFDVWNGLHPR-UHFFFAOYSA-N 0 0 439.563 5.437 40 30 IKEBRN C=CCc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(OCC)c1OC ZINC000409282054 557047486 /nfs/dbraw/zinc/04/74/86/557047486.db2.gz FXNFVDPTCYDONX-UHFFFAOYSA-N 0 0 445.563 5.462 40 30 IKEBRN CCc1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OC(C)C ZINC000409283849 557048818 /nfs/dbraw/zinc/04/88/18/557048818.db2.gz SEDXUNFTDHWAKB-UHFFFAOYSA-N 0 0 448.748 5.044 40 30 IKEBRN CCOc1cc(C)c(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc1C(C)C ZINC000409283983 557048913 /nfs/dbraw/zinc/04/89/13/557048913.db2.gz RUJFNQUEFOOATP-UHFFFAOYSA-N 0 0 431.580 6.157 40 30 IKEBRN Cc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)c(C)n1-c1sc2c(c1C#N)CCCC2 ZINC000408589202 557049342 /nfs/dbraw/zinc/04/93/42/557049342.db2.gz DGYTWFZSLCRQNA-DHRITJCHSA-N 0 0 434.521 5.365 40 30 IKEBRN CCn1cc(C=Nn2c(=O)c3cc(Br)ccc3nc2C(C)C)c2ccccc21 ZINC000409287896 557051436 /nfs/dbraw/zinc/05/14/36/557051436.db2.gz ALFHYKLKKJHUSD-UHFFFAOYSA-N 0 0 437.341 5.139 40 30 IKEBRN CCOc1cc(C=Nn2c(=O)c3ccccc3nc2C2CCCCC2)cc(Cl)c1OC ZINC000409289712 557051958 /nfs/dbraw/zinc/05/19/58/557051958.db2.gz OOCITPLVXZVWCS-UHFFFAOYSA-N 0 0 439.943 5.387 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2cccc(F)c2)c(Cl)c1 ZINC000408593447 557052476 /nfs/dbraw/zinc/05/24/76/557052476.db2.gz POXLZZZSGPDOHF-KKMKTNMSSA-N 0 0 429.278 6.134 40 30 IKEBRN CCOc1cc(C)c(-c2nc3ccccc3c(=O)n2N=Cc2ccccc2O)cc1C(C)C ZINC000409295936 557053120 /nfs/dbraw/zinc/05/31/20/557053120.db2.gz PNTRUWNOSGSRGJ-UHFFFAOYSA-N 0 0 441.531 5.482 40 30 IKEBRN COc1cccc2oc(-c3nc4ccccc4c(=O)n3N=Cc3ccc(O)c(Cl)c3)cc21 ZINC000409297155 557054307 /nfs/dbraw/zinc/05/43/07/557054307.db2.gz SDLDIJNOQUZVFO-UHFFFAOYSA-N 0 0 445.862 5.060 40 30 IKEBRN O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=C/C=C/c1ccccc1 ZINC000409297813 557054697 /nfs/dbraw/zinc/05/46/97/557054697.db2.gz XRGGGYXFGGGTDF-ZCOZDIQBSA-N 0 0 425.875 6.010 40 30 IKEBRN Cc1cccc(NC(=O)Cn2cc(/C=N/OCc3cccc([N+](=O)[O-])c3)c3ccccc32)c1 ZINC000408592195 557054816 /nfs/dbraw/zinc/05/48/16/557054816.db2.gz LPTJZVDXXKHYKJ-VULFUBBASA-N 0 0 442.475 5.047 40 30 IKEBRN COc1cc(/C=N/OCc2cccc([N+](=O)[O-])c2)cc(Cl)c1OCc1ccccc1F ZINC000408590103 557055769 /nfs/dbraw/zinc/05/57/69/557055769.db2.gz GBPCUBYFVLEAOE-BRJLIKDPSA-N 0 0 444.846 5.526 40 30 IKEBRN C=CCn1cc(C=Nn2c(=O)c3ccccc3nc2-c2cc3ccccc3o2)c2ccccc21 ZINC000409308018 557056368 /nfs/dbraw/zinc/05/63/68/557056368.db2.gz VXIHJNPUHLCQMZ-UHFFFAOYSA-N 0 0 444.494 5.833 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c1 ZINC000408591141 557056507 /nfs/dbraw/zinc/05/65/07/557056507.db2.gz ISMNSEWSBPPJCQ-OPEKNORGSA-N 0 0 449.265 6.170 40 30 IKEBRN C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OCC)c1OCc1ccc(F)cc1 ZINC000408593548 557057227 /nfs/dbraw/zinc/05/72/27/557057227.db2.gz BEZCGPVHWSAUJI-OCSSWDANSA-N 0 0 444.506 5.954 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccccc2C#N)c(Cl)c1 ZINC000408593799 557057806 /nfs/dbraw/zinc/05/78/06/557057806.db2.gz RKNWCNCECMLNRX-XODNFHPESA-N 0 0 436.298 5.866 40 30 IKEBRN CCOc1cc(/C=N/OCc2ccccc2C#N)cc(Cl)c1OCc1cccc(C)c1 ZINC000408594142 557058066 /nfs/dbraw/zinc/05/80/66/557058066.db2.gz GCIICXOJWFJGQB-RWPZCVJISA-N 0 0 434.923 6.049 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c1 ZINC000408594184 557058162 /nfs/dbraw/zinc/05/81/62/557058162.db2.gz STPYFACUVPVMOS-OPEKNORGSA-N 0 0 449.265 6.170 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(N3CCCCC3)c(F)c2)S/C1=N/c1ccc(OC)cc1 ZINC000409231853 557058557 /nfs/dbraw/zinc/05/85/57/557058557.db2.gz LAOVZDPGJUGOQI-CWFNPDHMSA-N 0 0 439.556 5.449 40 30 IKEBRN O=[N+]([O-])c1cccc(CO/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)c1 ZINC000408595038 557058695 /nfs/dbraw/zinc/05/86/95/557058695.db2.gz VKTBUPBWKLBTIM-JMIUGGIZSA-N 0 0 446.213 5.076 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1c(OCc2cccc([N+](=O)[O-])c2)ccc2ccccc21 ZINC000408595284 557058776 /nfs/dbraw/zinc/05/87/76/557058776.db2.gz LVSAECOSVYCECB-LQKURTRISA-N 0 0 437.455 5.749 40 30 IKEBRN N#Cc1ccccc1CO/N=C/c1cc(Cl)c(OCc2ccccc2F)c(Cl)c1 ZINC000408595344 557059107 /nfs/dbraw/zinc/05/91/07/557059107.db2.gz WFUNKUCLUCWFMB-KKMKTNMSSA-N 0 0 429.278 6.134 40 30 IKEBRN C=CCc1cc(/C=N/OCc2ccccc2C#N)cc(OCC)c1OCc1ccc(C)cc1 ZINC000408596309 557059822 /nfs/dbraw/zinc/05/98/22/557059822.db2.gz RHBIQLDCCCCNGF-UXHLAJHPSA-N 0 0 440.543 6.124 40 30 IKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cc(Cl)ccc1OC ZINC000409314592 557060089 /nfs/dbraw/zinc/06/00/89/557060089.db2.gz LOZVSGNCMWRTSL-GFCCVEGCSA-N 0 0 448.748 5.217 40 30 IKEBRN CC[C@@H](C)c1nc2ccc(Br)cc2c(=O)n1N=Cc1cccn1-c1ccccc1 ZINC000409314861 557060324 /nfs/dbraw/zinc/06/03/24/557060324.db2.gz STZUXWDFCHICTC-MRXNPFEDSA-N 0 0 449.352 5.345 40 30 IKEBRN CCN1C(=O)/C(=C\c2ccc(-c3ccccc3C#N)o2)S/C1=N/c1ccc(OC)cc1 ZINC000409232605 557061107 /nfs/dbraw/zinc/06/11/07/557061107.db2.gz RQOVKPMJQDBCER-VBJFXANNSA-N 0 0 429.501 5.451 40 30 IKEBRN O=C1CSC(=S)N1/N=C/c1cn(Cc2c(Cl)cccc2Cl)c2ccccc12 ZINC000409326694 557061320 /nfs/dbraw/zinc/06/13/20/557061320.db2.gz DHDPXRDQUXNYCG-GZIVZEMBSA-N 0 0 434.373 5.191 40 30 IKEBRN C=CCOc1ccc(Br)cc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O ZINC000409326819 557061689 /nfs/dbraw/zinc/06/16/89/557061689.db2.gz DWXGSKHDTGWXAM-PDGQHHTCSA-N 0 0 446.391 5.728 40 30 IKEBRN Cc1ccc(Sc2ccc(/C=N\c3ccc(I)cc3)cc2)cc1 ZINC000409233134 557061863 /nfs/dbraw/zinc/06/18/63/557061863.db2.gz QTNVYIIAUDJUSM-HMAPJEAMSA-N 0 0 429.326 6.501 40 30 IKEBRN COc1cc(N2CCCCC2)ccc1/C=N\c1ccc(I)c(C)c1 ZINC000409233399 557064357 /nfs/dbraw/zinc/06/43/57/557064357.db2.gz VVPWMIMDPRTCCI-HMAPJEAMSA-N 0 0 434.321 5.349 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C/c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408600273 557064525 /nfs/dbraw/zinc/06/45/25/557064525.db2.gz AYXFJGQCZPYBGW-WOJGMQOQSA-N 0 0 425.853 5.400 40 30 IKEBRN CCOc1cc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)ccc1OCC#N ZINC000409330149 557064703 /nfs/dbraw/zinc/06/47/03/557064703.db2.gz JOOPOBOMWQQCPS-LDADJPATSA-N 0 0 430.938 5.047 40 30 IKEBRN C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc4ccccc43)C2=O)cc1OC ZINC000409330875 557064880 /nfs/dbraw/zinc/06/48/80/557064880.db2.gz MJRLRSBZOCTRNC-JCMHNJIXSA-N 0 0 433.554 5.819 40 30 IKEBRN CCCc1nc2ccc(Br)cc2c(=O)n1N=Cc1ccccc1C(F)(F)F ZINC000409330575 557064929 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425.400 5.963 40 30 IKEBRN Brc1ccc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn32)cc1 ZINC000408720795 557131620 /nfs/dbraw/zinc/13/16/20/557131620.db2.gz DIQGJUNZXSTLJD-UFFVCSGVSA-N 0 0 445.114 5.870 40 30 IKEBRN COc1ccc2ccccc2c1C1C2=C(CC(C)(C)CC2=O)OC2=C1C(=O)CC(C)(C)C2 ZINC000408718097 557133056 /nfs/dbraw/zinc/13/30/56/557133056.db2.gz JGINKOOUNZGMQT-UHFFFAOYSA-N 0 0 430.544 6.249 40 30 IKEBRN COc1ccc(-c2oc(/N=C/c3cccc(Cl)c3)c(C#N)c2-c2ccc(OC)cc2)cc1 ZINC000408719150 557133305 /nfs/dbraw/zinc/13/33/05/557133305.db2.gz HYEJBXGMVAGKBP-MUFRIFMGSA-N 0 0 442.902 6.906 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)S2)c(C)c1 ZINC000408723799 557133648 /nfs/dbraw/zinc/13/36/48/557133648.db2.gz OPKSYZGYIQFPGW-OEAKJJBVSA-N 0 0 448.975 6.427 40 30 IKEBRN CCOc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)ccc1OC ZINC000408724494 557134164 /nfs/dbraw/zinc/13/41/64/557134164.db2.gz ANXQXRKUJUTUTH-PFMNSIPKSA-N 0 0 430.529 5.903 40 30 IKEBRN O=C1/C(=C/c2ccc(N3CCCCC3)o2)S/C(=N\c2ccccc2)N1C1CCCCC1 ZINC000408724656 557134228 /nfs/dbraw/zinc/13/42/28/557134228.db2.gz AVFRQZBQMXLKRN-BESZJCKESA-N 0 0 435.593 6.207 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OCC ZINC000408724921 557134919 /nfs/dbraw/zinc/13/49/19/557134919.db2.gz FACGFZIKVGEHGH-DZNDYGJHSA-N 0 0 444.556 6.293 40 30 IKEBRN O=[N+]([O-])c1cc(/C=N/c2c(-c3ccco3)nc3ccc(Br)cn32)ccc1Cl ZINC000408721061 557135108 /nfs/dbraw/zinc/13/51/08/557135108.db2.gz JKOPHRMQYSAVRI-ZVBGSRNCSA-N 0 0 445.660 5.669 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OC(=O)c3ccccc3)S2)c(C)c1 ZINC000408721159 557135114 /nfs/dbraw/zinc/13/51/14/557135114.db2.gz LMZRFZWSZDWORT-JCMHNJIXSA-N 0 0 428.513 5.414 40 30 IKEBRN Cc1cc(-c2ccc(/C=C3\SC(=Nc4ccccc4C)NC3=O)o2)c(C)c([N+](=O)[O-])c1 ZINC000408721263 557135188 /nfs/dbraw/zinc/13/51/88/557135188.db2.gz NSZWELDFXHHWLO-MTJSOVHGSA-N 0 0 433.489 5.672 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3cccc(Cl)c3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408721847 557135766 /nfs/dbraw/zinc/13/57/66/557135766.db2.gz ALGLADJLVZOVLV-VULFUBBASA-N 0 0 447.947 7.406 40 30 IKEBRN O=C(O/N=C(/Cc1ccc([N+](=O)[O-])cc1)c1ccccc1)c1ccc(Cl)cc1Cl ZINC000408722214 557136064 /nfs/dbraw/zinc/13/60/64/557136064.db2.gz FIFHZIBCMYONHI-GFMRDNFCSA-N 0 0 429.259 5.705 40 30 IKEBRN COc1ccc(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c(OC)c1 ZINC000408721942 557136103 /nfs/dbraw/zinc/13/61/03/557136103.db2.gz BNVBMHDBQVFEPZ-CVKSISIWSA-N 0 0 434.948 6.898 40 30 IKEBRN COc1ccc(OC)c(/C=N/c2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)c1 ZINC000408722121 557136195 /nfs/dbraw/zinc/13/61/95/557136195.db2.gz FBXLDROTBOMUSZ-CVKSISIWSA-N 0 0 434.948 6.898 40 30 IKEBRN CCc1ccc(-c2nc(/N=C/c3ccc(OC)cc3)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000408722344 557136369 /nfs/dbraw/zinc/13/63/69/557136369.db2.gz HNGKBDCABQIFFT-WGOQTCKBSA-N 0 0 443.528 6.707 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3ccc([N+](=O)[O-])o3)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000408722392 557136383 /nfs/dbraw/zinc/13/63/83/557136383.db2.gz ICLOBIACPSOFQZ-FSJBWODESA-N 0 0 448.460 6.254 40 30 IKEBRN CCCCOc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccccc3)s2)cc1 ZINC000408723105 557136746 /nfs/dbraw/zinc/13/67/46/557136746.db2.gz QHRAIYXTNIJJEC-TURZUDJPSA-N 0 0 442.584 7.415 40 30 IKEBRN N#Cc1c(/N=C/c2c3ccccc3cc3ccccc32)oc(-c2ccccc2)c1-c1ccccc1 ZINC000408723307 557136754 /nfs/dbraw/zinc/13/67/54/557136754.db2.gz QJDNAZRRJNRAGN-KEIPNQJHSA-N 0 0 448.525 8.542 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccc(O)c(OC)c3)sc2-c2ccc(OC)cc2)cc1 ZINC000408723429 557137040 /nfs/dbraw/zinc/13/70/40/557137040.db2.gz UNPNOAPUAPFVEN-CVKSISIWSA-N 0 0 446.528 5.959 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3cccc(Br)c3)sc2-c2ccccc2)cc1 ZINC000408723508 557137094 /nfs/dbraw/zinc/13/70/94/557137094.db2.gz VVVGFKPIYPPKSV-MFKUBSTISA-N 0 0 449.373 6.999 40 30 IKEBRN C=CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000409358904 557137329 /nfs/dbraw/zinc/13/73/29/557137329.db2.gz HSMLRRUTVVSQNN-UHFFFAOYSA-N 0 0 438.622 5.245 40 30 IKEBRN O=c1[nH]c2ccccc2c(=O)n1N=Cc1cn(Cc2cccc3ccccc32)c2ccccc12 ZINC000409360670 557137440 /nfs/dbraw/zinc/13/74/40/557137440.db2.gz QYHVSZYMERSIGM-UHFFFAOYSA-N 0 0 444.494 5.141 40 30 IKEBRN Cc1ccc(NN=C2C=CC(=O)C(C=C3SC(=Nc4ccccc4)NC3=O)=C2)cc1C ZINC000408726449 557137443 /nfs/dbraw/zinc/13/74/43/557137443.db2.gz SVEPWOOAJOOEBH-ACYHEVRDSA-N 0 0 428.517 6.316 40 30 IKEBRN Cc1cccc(COc2ccc3ccccc3c2C=Nn2c(=O)[nH]c3ccccc3c2=O)c1 ZINC000409361580 557137676 /nfs/dbraw/zinc/13/76/76/557137676.db2.gz TZEWRHDGPTVIOB-UHFFFAOYSA-N 0 0 435.483 5.025 40 30 IKEBRN C=CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 ZINC000409363708 557137699 /nfs/dbraw/zinc/13/76/99/557137699.db2.gz VRGWVBTUVYNBOG-UHFFFAOYSA-N 0 0 438.622 5.245 40 30 IKEBRN C=CCOc1ccc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)cc1 ZINC000408725210 557137970 /nfs/dbraw/zinc/13/79/70/557137970.db2.gz FYTIBJFRYRMMIO-ZEHKLFRWSA-N 0 0 440.568 5.924 40 30 IKEBRN Cc1cc(/C=C2\Cc3ccccc3C2=O)c(C)n1-c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000409369189 557138209 /nfs/dbraw/zinc/13/82/09/557138209.db2.gz HEKOIUOQDFISKX-JJIBRWJFSA-N 0 0 434.495 6.492 40 30 IKEBRN CCOc1cc(/C=C2\Cc3ccccc3C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 ZINC000409369099 557138214 /nfs/dbraw/zinc/13/82/14/557138214.db2.gz CEFWTRICEUTVLM-YBFXNURJSA-N 0 0 439.338 6.794 40 30 IKEBRN COc1ccc([N+](=O)[O-])cc1/C=C1\S/C(=N\c2ccccc2)N(C2CCCCC2)C1=O ZINC000408725795 557138301 /nfs/dbraw/zinc/13/83/01/557138301.db2.gz KJEMEBLEBXIORU-YACCPEJUSA-N 0 0 437.521 5.540 40 30 IKEBRN COc1ccc(N=C2S/C(=C\c3cc(C)c(O)c(C)c3)C(=O)N2Cc2ccco2)cc1 ZINC000409371991 557138493 /nfs/dbraw/zinc/13/84/93/557138493.db2.gz CWRQMFIKRQOHDL-RNUJJHFSSA-N 0 0 434.517 5.415 40 30 IKEBRN COc1cc([C@@H]2NC(=O)N(c3ccccc3)C(C)=C2C(C)=O)ccc1OCc1ccccc1 ZINC000408730859 557139319 /nfs/dbraw/zinc/13/93/19/557139319.db2.gz JNTQPKJCTFAYHT-SANMLTNESA-N 0 0 442.515 5.408 40 30 IKEBRN C=CCOc1c(Br)cc(Br)cc1C=C1C(=O)c2ccccc2C1=O ZINC000408731053 557139410 /nfs/dbraw/zinc/13/94/10/557139410.db2.gz INTCZQWYCHKZJZ-UHFFFAOYSA-N 0 0 448.110 5.239 40 30 IKEBRN O=S(=O)(c1ccc(/N=C/c2cccc3ccccc23)cc1)N1CCc2ccccc2C1 ZINC000408730606 557139429 /nfs/dbraw/zinc/13/94/29/557139429.db2.gz RUHYNLWFTKBOJK-OVVQPSECSA-N 0 0 426.541 5.337 40 30 IKEBRN Cc1ccc(-n2c(-c3ccccc3)cc(C=NNc3ccccc3)c2-c2ccccc2)cc1 ZINC000408732256 557139740 /nfs/dbraw/zinc/13/97/40/557139740.db2.gz QDLAFHKFKSDFDM-VAMRJTSQSA-N 0 0 427.551 7.566 40 30 IKEBRN CCCCCCCCCCOc1ccc(C(=O)Nc2cccc(C3OCCO3)c2)cc1 ZINC000103765062 557139862 /nfs/dbraw/zinc/13/98/62/557139862.db2.gz ILSLUMUUGYZZLJ-UHFFFAOYSA-N 0 0 425.569 6.504 40 30 IKEBRN Cc1ccc(NC(=O)CO/N=C\c2ccc(OCc3ccccc3F)c(Cl)c2)cc1 ZINC000409377802 557139882 /nfs/dbraw/zinc/13/98/82/557139882.db2.gz KXEXENAORFYMDU-ZMFRSBBQSA-N 0 0 426.875 5.356 40 30 IKEBRN CCCCCCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 ZINC000103754854 557139946 /nfs/dbraw/zinc/13/99/46/557139946.db2.gz CRPRXIIGNMIIAZ-HPNDGRJYSA-N 0 0 438.571 6.870 40 30 IKEBRN CC[C@H](C)c1ccc(/N=C/c2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 ZINC000409377644 557140011 /nfs/dbraw/zinc/14/00/11/557140011.db2.gz JPSJQUMAFCFDSN-PYWPZVNCSA-N 0 0 438.930 6.761 40 30 IKEBRN N#Cc1c(/N=C/c2c3ccccc3cc3ccccc23)oc(-c2ccco2)c1-c1ccco1 ZINC000409378363 557140213 /nfs/dbraw/zinc/14/02/13/557140213.db2.gz OSILKWUXQKPBLG-OCSSWDANSA-N 0 0 428.447 7.728 40 30 IKEBRN CC[C@H](C)Oc1c(Cl)cc(/C=N\c2ccc(I)cc2)cc1OC ZINC000409380968 557140657 /nfs/dbraw/zinc/14/06/57/557140657.db2.gz QFSZKFQXECVIMW-WLQYJRLHSA-N 0 0 443.712 5.881 40 30 IKEBRN O=C1C=CC(=NNc2cccc(C(F)(F)F)c2)C=C1C=[NH+][N-]c1nc2ccccc2s1 ZINC000408728334 557141108 /nfs/dbraw/zinc/14/11/08/557141108.db2.gz ZWOMNEFDWOUKRR-NEBKWEKESA-N 0 0 441.438 6.882 40 30 IKEBRN O=S(=O)(c1ccc(/N=C/c2cccc(Cl)c2Cl)cc1)N1CCc2ccccc2C1 ZINC000408728956 557141384 /nfs/dbraw/zinc/14/13/84/557141384.db2.gz BGWFYMMVNFBXBV-AFUMVMLFSA-N 0 0 445.371 5.491 40 30 IKEBRN N#CCn1cc(/C=C2\SC(=Nc3ccccc3)N(Cc3cccnc3)C2=O)c2ccccc21 ZINC000409385208 557141675 /nfs/dbraw/zinc/14/16/75/557141675.db2.gz GSEYEBUYYSASJY-VCOIRPETSA-N 0 0 449.539 5.364 40 30 IKEBRN N#Cc1c(/N=C2\c3ccccc3N(Cc3ccc(Cl)cc3)C2=O)sc2c1CCCC2 ZINC000409386939 557142021 /nfs/dbraw/zinc/14/20/21/557142021.db2.gz HTRZTOJBSJPZAQ-HPNDGRJYSA-N 0 0 431.948 5.820 40 30 IKEBRN COC(=O)c1ccc(/N=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 ZINC000409388761 557142310 /nfs/dbraw/zinc/14/23/10/557142310.db2.gz WEFWNLVMGZFXJI-JFLMPSFJSA-N 0 0 430.504 5.167 40 30 IKEBRN COC(=O)c1ccc(Cn2cc(/C=N\c3cccc(Cl)c3Cl)c3ccccc32)o1 ZINC000409393858 557142842 /nfs/dbraw/zinc/14/28/42/557142842.db2.gz SRQLWJMFLOBBMN-GATIEOLUSA-N 0 0 427.287 6.127 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1Sc1ccccc1 ZINC000409401290 557143260 /nfs/dbraw/zinc/14/32/60/557143260.db2.gz AZLGPXAVDFYZLD-UHFFFAOYSA-N 0 0 433.536 6.097 40 30 IKEBRN CCCCCCCOc1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 ZINC000105450250 557144254 /nfs/dbraw/zinc/14/42/54/557144254.db2.gz XTNREGVZNQNYQW-PCLIKHOPSA-N 0 0 428.001 7.259 40 30 IKEBRN COc1ccc(-n2c(C)cc(C=Nn3c(=O)c4ccccc4nc3-c3ccccc3)c2C)cc1 ZINC000409402119 557144301 /nfs/dbraw/zinc/14/43/01/557144301.db2.gz GJUKMPCOVSWZFZ-UHFFFAOYSA-N 0 0 448.526 5.362 40 30 IKEBRN C=CCc1cc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc(OCC)c1OC ZINC000409401846 557144328 /nfs/dbraw/zinc/14/43/28/557144328.db2.gz FLRXMRVXLLENNO-UHFFFAOYSA-N 0 0 439.515 5.082 40 30 IKEBRN CC[C@H](C)Oc1ccc([N+](=O)[O-])cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409405161 557144407 /nfs/dbraw/zinc/14/44/07/557144407.db2.gz MSXUHDJOLXBLBR-KRWDZBQOSA-N 0 0 442.475 5.031 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccccc1OCc1ccccc1 ZINC000409402632 557144415 /nfs/dbraw/zinc/14/44/15/557144415.db2.gz IKLCMJSFOJFCDN-UHFFFAOYSA-N 0 0 431.495 5.525 40 30 IKEBRN CC[C@H](C)Oc1ccc(Cl)cc1C=Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000409404319 557144629 /nfs/dbraw/zinc/14/46/29/557144629.db2.gz PGOBIZYSNRHJOK-KRWDZBQOSA-N 0 0 431.923 5.776 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(-c2cccc(Cl)c2)o1 ZINC000409404046 557144688 /nfs/dbraw/zinc/14/46/88/557144688.db2.gz JWNQQCSAACKIDQ-UHFFFAOYSA-N 0 0 425.875 5.859 40 30 IKEBRN CCOc1cc(C)c(C=Nn2c(=O)c3ccccc3nc2-c2ccccc2)cc1OCC ZINC000409405621 557144696 /nfs/dbraw/zinc/14/46/96/557144696.db2.gz OWKJRHXRHFFKEB-UHFFFAOYSA-N 0 0 427.504 5.052 40 30 IKEBRN O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000409405327 557144697 /nfs/dbraw/zinc/14/46/97/557144697.db2.gz TZFULTBNHNGGOY-UHFFFAOYSA-N 0 0 449.485 5.664 40 30 IKEBRN O=[N+]([O-])c1ccc(NN=Cc2ccc(OCc3ccccc3)c(Br)c2)cc1 ZINC000408737826 557145727 /nfs/dbraw/zinc/14/57/27/557145727.db2.gz HRDLJTIOTKBNDA-LPYMAVHISA-N 0 0 426.270 5.382 40 30 IKEBRN Cc1cc(C=NC2C=C[C@@H]3C(=O)c4ccccc4C(=O)C3=C2)c(C)n1-c1cc(C)cc(C)c1 ZINC000408738492 557145755 /nfs/dbraw/zinc/14/57/55/557145755.db2.gz ZOCQXCWYXGJCDZ-QBKNECBYSA-N 0 0 434.539 5.895 40 30 IKEBRN Cc1cc(/C=N/c2cccc(I)c2)c(C)n1-c1ccc(Cl)cc1 ZINC000408738098 557146287 /nfs/dbraw/zinc/14/62/87/557146287.db2.gz NPKSIXDCSFCKNV-WSDLNYQXSA-N 0 0 434.708 6.103 40 30 IKEBRN CN(C)c1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000408739253 557146939 /nfs/dbraw/zinc/14/69/39/557146939.db2.gz AJSVUSHGURFQKM-AWSUPERCSA-N 0 0 441.578 7.628 40 30 IKEBRN CCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)NC3=C2C(=O)CCC3)cc1 ZINC000006162440 557147548 /nfs/dbraw/zinc/14/75/48/557147548.db2.gz IPURPGRSMNANST-VWLOTQADSA-N 0 0 430.548 5.390 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3ccccc3)S2)cc1Cl ZINC000408738781 557148055 /nfs/dbraw/zinc/14/80/55/557148055.db2.gz OGZCKFUOCTVBKU-XKZIYDEJSA-N 0 0 434.948 6.119 40 30 IKEBRN O=[N+]([O-])c1ccc(Oc2ccc(C=NNc3ccc4ccccc4n3)cc2)c([N+](=O)[O-])c1 ZINC000408739055 557148468 /nfs/dbraw/zinc/14/84/68/557148468.db2.gz SETIBXWXOUXLBG-OEAKJJBVSA-N 0 0 429.392 5.290 40 30 IKEBRN CCc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000408740242 557148672 /nfs/dbraw/zinc/14/86/72/557148672.db2.gz JOFOJWAVNJJETE-AWSUPERCSA-N 0 0 426.563 8.124 40 30 IKEBRN Cc1cc(/C=N/c2sc3c(c2C#N)CCCC3)c(C)n1-c1ccc(-c2ccccc2)cc1 ZINC000408740030 557148766 /nfs/dbraw/zinc/14/87/66/557148766.db2.gz 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COC(=O)c1ccc(-n2c(C)cc(/C=N/c3ccc(Br)cc3C)c2C)cc1 ZINC000408742500 557150409 /nfs/dbraw/zinc/15/04/09/557150409.db2.gz PIIPCSFJLBYCMY-ZMOGYAJESA-N 0 0 425.326 5.702 40 30 IKEBRN CCOc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)cc1 ZINC000408742696 557150794 /nfs/dbraw/zinc/15/07/94/557150794.db2.gz SDTGPTXONMFAAE-IWIPYMOSSA-N 0 0 445.588 6.001 40 30 IKEBRN CCOc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3cccnc3)c2-c2ccccc2)cc1 ZINC000408743291 557150875 /nfs/dbraw/zinc/15/08/75/557150875.db2.gz RXMGWHBURDEQRG-RUMWWMSVSA-N 0 0 443.550 7.356 40 30 IKEBRN CC(C)c1ccc(/C=C2/SC(=Nc3cccc(I)c3)NC2=O)cc1 ZINC000408748818 557156425 /nfs/dbraw/zinc/15/64/25/557156425.db2.gz IBIYDMLFTOIBOP-LICLKQGHSA-N 0 0 448.329 5.306 40 30 IKEBRN COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)Nc1ccccc1N[C@@H]2c1cccc(Cl)c1Cl ZINC000006177495 557157261 /nfs/dbraw/zinc/15/72/61/557157261.db2.gz SRSOJXJDJDRYLG-VNNHTSALSA-N 0 0 431.319 5.224 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC ZINC000106708475 557158667 /nfs/dbraw/zinc/15/86/67/557158667.db2.gz OIVMMSQIHVZIMH-MOSHPQCFSA-N 0 0 443.952 5.848 40 30 IKEBRN CCOc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)ccc1OCC#N ZINC000106718410 557158830 /nfs/dbraw/zinc/15/88/30/557158830.db2.gz NPHCAOJCDOCVFY-HAHDFKILSA-N 0 0 444.512 5.377 40 30 IKEBRN C#CCOc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc43)C2=O)cc1OC ZINC000106724724 557159514 /nfs/dbraw/zinc/15/95/14/557159514.db2.gz TXKKMGQDKFEANL-HAHDFKILSA-N 0 0 429.497 5.097 40 30 IKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1cccc2ccccc21 ZINC000408750807 557159489 /nfs/dbraw/zinc/15/94/89/557159489.db2.gz RXPFQBWVPPXFLH-DICXZTSXSA-N 0 0 442.475 5.567 40 30 IKEBRN O=C(/C(F)=C(\F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F ZINC000095707813 557159871 /nfs/dbraw/zinc/15/98/71/557159871.db2.gz LHQQPWDNJJTKPI-OWOJBTEDSA-N 0 0 428.066 5.372 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)S2)cc1 ZINC000408751629 557160004 /nfs/dbraw/zinc/16/00/04/557160004.db2.gz ARCVUOAWTXQPEW-IWIPYMOSSA-N 0 0 429.589 6.165 40 30 IKEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)ccc1OCc1ccc2ccccc2c1 ZINC000408751211 557160071 /nfs/dbraw/zinc/16/00/71/557160071.db2.gz XTAQKIWJBGLACK-DICXZTSXSA-N 0 0 442.475 5.567 40 30 IKEBRN COc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(Cl)c1OCc1ccccc1Cl ZINC000408751337 557160086 /nfs/dbraw/zinc/16/00/86/557160086.db2.gz ZDNWNZUJOLJXJH-VROXFSQNSA-N 0 0 447.278 5.330 40 30 IKEBRN Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2ccccc2OCc2ccccc2)S1 ZINC000408752488 557160680 /nfs/dbraw/zinc/16/06/80/557160680.db2.gz IUVVTGYHGRYJAO-HYARGMPZSA-N 0 0 445.500 5.374 40 30 IKEBRN Cc1cc([N+](=O)[O-])ccc1N=C1NC(=O)/C(=C\c2cccc(Oc3ccccc3)c2)S1 ZINC000408752904 557163233 /nfs/dbraw/zinc/16/32/33/557163233.db2.gz LPPRJWJCAYJJBG-KGENOOAVSA-N 0 0 431.473 5.587 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccccc3I)c2C)cc1 ZINC000408753426 557164296 /nfs/dbraw/zinc/16/42/96/557164296.db2.gz MRKXRCAVBYLAQK-UCQKPKSFSA-N 0 0 428.317 6.012 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3ccccc3OCc3cccc(C)c3)S2)cc1 ZINC000408754971 557167343 /nfs/dbraw/zinc/16/73/43/557167343.db2.gz SWQBJGQEYHSAGA-JLPGSUDCSA-N 0 0 428.557 6.028 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1Cl ZINC000408756382 557168419 /nfs/dbraw/zinc/16/84/19/557168419.db2.gz QYHNUUZVQJBEAQ-PDGQHHTCSA-N 0 0 431.344 5.459 40 30 IKEBRN Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\SC(=Nc3ccc(Cl)cc3)NC2=O)o1 ZINC000408760866 557174552 /nfs/dbraw/zinc/17/45/52/557174552.db2.gz AKXNWDBBUIBXOJ-ODLFYWEKSA-N 0 0 439.880 5.708 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1 ZINC000408762540 557176878 /nfs/dbraw/zinc/17/68/78/557176878.db2.gz OZQJEQNSESLIBI-QNGOZBTKSA-N 0 0 436.621 6.441 40 30 IKEBRN COc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)c(C)c1 ZINC000408759892 557177958 /nfs/dbraw/zinc/17/79/58/557177958.db2.gz NNJUXRGBQBMEJJ-YVLHZVERSA-N 0 0 431.355 5.275 40 30 IKEBRN CCc1ccc(-n2c(C)cc(/C=N\c3ccc(I)cc3)c2C)cc1 ZINC000408763538 557180782 /nfs/dbraw/zinc/18/07/82/557180782.db2.gz PNXLLPWXADMFIK-UCQKPKSFSA-N 0 0 428.317 6.012 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3cc(Cl)ccc3C)NC2=O)c(C)n1-c1cccc(C)c1 ZINC000408763773 557181413 /nfs/dbraw/zinc/18/14/13/557181413.db2.gz UTHBUNKDFQUAHH-UUYOSTAYSA-N 0 0 435.980 6.256 40 30 IKEBRN COc1ccc(/C=C2\SC(=Nc3cc(C)c(Br)c(C)c3)NC2=O)cc1C ZINC000408764287 557181982 /nfs/dbraw/zinc/18/19/82/557181982.db2.gz STRGUBYQRHQELF-YVLHZVERSA-N 0 0 431.355 5.275 40 30 IKEBRN CCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=Nc4ccc(CC)cc4)NC3=O)o2)cc1 ZINC000408764596 557182450 /nfs/dbraw/zinc/18/24/50/557182450.db2.gz UXDSZWPEDXCGQR-JCMHNJIXSA-N 0 0 446.528 5.577 40 30 IKEBRN Cc1cc(/C=C2\SC(=Nc3ccc(F)cc3)NC2=O)c(C)n1-c1cccc(Cl)c1 ZINC000408764667 557182801 /nfs/dbraw/zinc/18/28/01/557182801.db2.gz JSUPRHXLRZDYIG-JAIQZWGSSA-N 0 0 425.916 5.778 40 30 IKEBRN C#CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1OCC ZINC000408765077 557184364 /nfs/dbraw/zinc/18/43/64/557184364.db2.gz KCKJUJXDTURYMR-ZHZULCJRSA-N 0 0 440.952 5.205 40 30 IKEBRN O=C1NC(=Nc2ccccc2)S/C1=C\c1ccc(OCc2nc3ccccc3[nH]2)cc1 ZINC000408765321 557185864 /nfs/dbraw/zinc/18/58/64/557185864.db2.gz XSNSVVBROHRNGD-STZFKDTASA-N 0 0 426.501 5.034 40 30 IKEBRN Cc1c(Cl)cccc1N=C1NC(=O)/C(=C/c2ccc(Sc3ccccc3)o2)S1 ZINC000408765720 557188365 /nfs/dbraw/zinc/18/83/65/557188365.db2.gz ZPDVKHCMZLRKLK-PDGQHHTCSA-N 0 0 426.950 6.284 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\SC(=Nc3ccc(CC)cc3)NC2=O)cc1Cl ZINC000408766451 557188710 /nfs/dbraw/zinc/18/87/10/557188710.db2.gz QVCWBPACKYWMMV-PDGQHHTCSA-N 0 0 433.360 6.012 40 30 IKEBRN Cc1ccc(N=C2NC(=O)/C(=C/c3ccc(OC(=O)c4cccc(Cl)c4)cc3)S2)cc1 ZINC000408766984 557189072 /nfs/dbraw/zinc/18/90/72/557189072.db2.gz UPTDZZYUTPUYSM-BKUYFWCQSA-N 0 0 448.931 5.759 40 30 IKEBRN CCc1ccc(N=C2NC(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)S2)cc1 ZINC000408767675 557189351 /nfs/dbraw/zinc/18/93/51/557189351.db2.gz ZUCNMSRQVYHHQE-IWIPYMOSSA-N 0 0 429.589 6.165 40 30 IKEBRN C=CCc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Br)c1O ZINC000408773596 557196182 /nfs/dbraw/zinc/19/61/82/557196182.db2.gz VMYKQUYELZTHSG-CNEDASOKSA-N 0 0 445.382 5.045 40 30 IKEBRN Cc1cccc(N=C2NC(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)S2)c1C ZINC000408777181 557199834 /nfs/dbraw/zinc/19/98/34/557199834.db2.gz WCQZYPAZRAEKMC-UNOMPAQXSA-N 0 0 446.557 5.816 40 30 IKEBRN Cc1cc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(C)n1-c1ccccc1 ZINC000408779110 557201225 /nfs/dbraw/zinc/20/12/25/557201225.db2.gz RIRVRQFQKXAXHY-DSTPSKMHSA-N 0 0 449.579 6.903 40 30 IKEBRN C=CCOc1c(Cl)cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1OC ZINC000408781390 557203520 /nfs/dbraw/zinc/20/35/20/557203520.db2.gz CTXNPKAQYIOQGU-DUBROFONSA-N 0 0 430.957 5.075 40 30 IKEBRN COCCN1C(=O)/C(=C\c2ccc(-c3ccc(C#N)cc3)o2)S/C1=N\c1ccccc1 ZINC000096803919 557205487 /nfs/dbraw/zinc/20/54/87/557205487.db2.gz APARRRRJBVTTQW-GCXIQGEKSA-N 0 0 429.501 5.069 40 30 IKEBRN Cc1cc(/C=N/c2ccc(C#N)cc2)c(C)n1-c1ccc(I)cc1 ZINC000408787933 557206582 /nfs/dbraw/zinc/20/65/82/557206582.db2.gz AYWRKFFZNKSHJO-YDZHTSKRSA-N 0 0 425.273 5.321 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1cn(CCSc2ccc(Cl)cc2)c2ccccc12 ZINC000408787999 557206726 /nfs/dbraw/zinc/20/67/26/557206726.db2.gz BXUUFTDUDKSZIB-UHFFFAOYSA-N 0 0 443.955 6.550 40 30 IKEBRN CCOc1ccc2ccc(OCC)c(/C=C3\SC(=Nc4cc(C)cc(C)c4)NC3=O)c2c1 ZINC000408786917 557209015 /nfs/dbraw/zinc/20/90/15/557209015.db2.gz XLTGZXQLURIWCF-IWIPYMOSSA-N 0 0 446.572 6.146 40 30 IKEBRN Cc1cc(/C=N\c2ccccc2C)c(C)n1-c1ccc(I)c(C)c1 ZINC000408788348 557209059 /nfs/dbraw/zinc/20/90/59/557209059.db2.gz DYJHTNOBKNUWLS-QRVIBDJDSA-N 0 0 428.317 6.066 40 30 IKEBRN CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(C3CCCCC3)C2=O)cc1Cl ZINC000408790578 557210422 /nfs/dbraw/zinc/21/04/22/557210422.db2.gz SLSAAUXCSSTZII-BIFPGVLTSA-N 0 0 440.996 6.675 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(OCc3ccccc3)cc2)cc1)Nc1ccccc1 ZINC000408801095 557217609 /nfs/dbraw/zinc/21/76/09/557217609.db2.gz SSGMNISQFJRCRE-CEUNXORHSA-N 0 0 436.511 6.034 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)NCc1ccco1 ZINC000408806472 557218368 /nfs/dbraw/zinc/21/83/68/557218368.db2.gz NHIUFWAHGJTMIR-PKAZHMFMSA-N 0 0 426.472 5.518 40 30 IKEBRN C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3Br)c2C)SC1=S ZINC000408806833 557218430 /nfs/dbraw/zinc/21/84/30/557218430.db2.gz BOGCBHJYUWTZBW-BOPFTXTBSA-N 0 0 433.396 5.244 40 30 IKEBRN COc1ccccc1NC(=O)COc1ccc(/C=N\c2cccc(C(F)(F)F)c2)cc1 ZINC000408803904 557220316 /nfs/dbraw/zinc/22/03/16/557220316.db2.gz UPIGHZSMXHLCRK-VYYCAZPPSA-N 0 0 428.410 5.482 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Oc3ccccc3)cc2)cc1)Nc1ccc(F)cc1 ZINC000408803850 557220373 /nfs/dbraw/zinc/22/03/73/557220373.db2.gz UAZDIXMTIFDNIV-MIXAMLLLSA-N 0 0 440.474 6.386 40 30 IKEBRN C[C@H]1CCCC[C@@H]1N1C(=O)/C(=C/c2ccc(OCC#N)cc2)SC1Nc1ccccc1 ZINC000408809179 557220910 /nfs/dbraw/zinc/22/09/10/557220910.db2.gz QXCVSJPRFOQMCM-QMJJWYKPSA-N 0 0 432.569 5.643 40 30 IKEBRN O=C(COc1ccc(/C=N\c2ccc(Br)cc2F)cc1)Nc1ccc(F)cc1 ZINC000408810196 557221355 /nfs/dbraw/zinc/22/13/55/557221355.db2.gz PCPUYJPHZVFMEN-ROTLSHHCSA-N 0 0 445.263 5.495 40 30 IKEBRN CN(CCN(C)/N=C\c1c(Cl)cccc1Cl)/N=C/c1c(Cl)cccc1Cl ZINC000025691485 557222063 /nfs/dbraw/zinc/22/20/63/557222063.db2.gz AIQURGZGERKJGO-QEUMEHMPSA-N 0 0 432.182 5.532 40 30 IKEBRN C=CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 ZINC000223424836 557223836 /nfs/dbraw/zinc/22/38/36/557223836.db2.gz VETLLUGMUCQCAN-AREMUKBSSA-N 0 0 446.978 5.345 40 30 IKEBRN Brc1ccc(OCc2ccccc2)c(/C=N/c2ccc(N3CCCCC3)cc2)c1 ZINC000111506657 557228887 /nfs/dbraw/zinc/22/88/87/557228887.db2.gz PFWKEMGRHDDUQF-OVVQPSECSA-N 0 0 449.392 6.769 40 30 IKEBRN N#Cc1ccccc1COc1ccc(/C=C2\SC(Nc3ccccc3F)NC2=O)cc1 ZINC000408818889 557231376 /nfs/dbraw/zinc/23/13/76/557231376.db2.gz YROAUAZUEZKONB-UHFFFAOYSA-N 0 0 430.484 5.039 40 30 IKEBRN COc1ccc(NC(=O)COc2ccc(/C=N\c3cc(Cl)cc(Cl)c3)cc2)cc1 ZINC000408818989 557232228 /nfs/dbraw/zinc/23/22/28/557232228.db2.gz WDIAZBDZVFLBIZ-MXAYSNPKSA-N 0 0 429.303 5.770 40 30 IKEBRN CCN(CC)c1ccc(/C=C2\SC(=Nc3ccc(Br)cc3C)NC2=O)o1 ZINC000408819684 557233240 /nfs/dbraw/zinc/23/32/40/557233240.db2.gz REMHWDDWFLRZJN-WJDWOHSUSA-N 0 0 434.359 5.088 40 30 IKEBRN CCCCCCCCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2CCCCCCCC)cc1 ZINC000100023027 557237343 /nfs/dbraw/zinc/23/73/43/557237343.db2.gz NWIFRDQEAOJOGK-NOZRDPDXSA-N 0 0 428.661 7.102 40 30 IKEBRN CCCCCCCCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2CCCCCCCC)cc1 ZINC000100023038 557237598 /nfs/dbraw/zinc/23/75/98/557237598.db2.gz NWIFRDQEAOJOGK-UKILVPOCSA-N 0 0 428.661 7.102 40 30 IKEBRN CCN(CC)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)c(O)c1 ZINC000408822510 557238127 /nfs/dbraw/zinc/23/81/27/557238127.db2.gz MZUDGYWKKZXPJR-HXNPFYCNSA-N 0 0 443.572 6.047 40 30 IKEBRN CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)nnc1C(C)C ZINC000013995508 557240726 /nfs/dbraw/zinc/24/07/26/557240726.db2.gz NIBGSNZWNYQPNC-AWEZNQCLSA-N 0 0 445.658 5.236 40 30 IKEBRN COc1cccc(/C=N/c2nc(-c3ccc(C)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1O ZINC000100179987 557245962 /nfs/dbraw/zinc/24/59/62/557245962.db2.gz BUQGKAQAPLIGJV-AFUMVMLFSA-N 0 0 445.500 6.159 40 30 IKEBRN COc1ccc(C=NNc2cc(C(F)(F)F)ccc2Cl)cc1OCc1ccccc1 ZINC000012571815 557248991 /nfs/dbraw/zinc/24/89/91/557248991.db2.gz MHPLQYVWJZZEPF-UVHMKAGCSA-N 0 0 434.845 6.392 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N/c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1OC ZINC000100235009 557253982 /nfs/dbraw/zinc/25/39/82/557253982.db2.gz QXCHNEVRCWRNJA-NEWZVLFWSA-N 0 0 444.556 5.816 40 30 IKEBRN COCCN1C(=O)/C(=C/c2cccn2-c2ccc(Cl)cc2)S/C1=N/c1ccccc1 ZINC000100280127 557256270 /nfs/dbraw/zinc/25/62/70/557256270.db2.gz BAZHUGCCVDXIAJ-REHDBGDWSA-N 0 0 437.952 5.381 40 30 IKEBRN CCCCCCCCCCC([C@@H]1CCC[C@H]2CCCC[C@@H]21)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000100301677 557257147 /nfs/dbraw/zinc/25/71/47/557257147.db2.gz BMIYKWRBLFKRLB-SYTTYBMUSA-N 0 0 428.789 10.346 40 30 IKEBRN CCCCCCCC[C@@H]1S[C@H]1CCCCCCCC(=O)OCCOCCOCC ZINC000100300084 557257149 /nfs/dbraw/zinc/25/71/49/557257149.db2.gz MMBZAEHFMQEQSE-GOTSBHOMSA-N 0 0 430.695 6.548 40 30 IKEBRN CCCCCCCCCCCCCCCC[C@H](C(=O)OCC)P(=O)(OCC)OCC ZINC000100306681 557257328 /nfs/dbraw/zinc/25/73/28/557257328.db2.gz GYRSANLAUWEXOF-HSZRJFAPSA-N 0 0 448.625 8.056 40 30 IKEBRN O=C1/C(=N\c2cccc(Cl)c2)C[C@@H](c2ccc(Cl)cc2)N1c1cccc(Cl)c1 ZINC000100349609 557258383 /nfs/dbraw/zinc/25/83/83/557258383.db2.gz JQHPQOGMXVPYEK-JDFKBJJRSA-N 0 0 429.734 6.898 40 30 IKEBRN COc1cc(/C=N/c2nccs2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000100383844 557259447 /nfs/dbraw/zinc/25/94/47/557259447.db2.gz XCMDJLBSGAPHSQ-LSHDLFTRSA-N 0 0 437.746 5.897 40 30 IKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(C(C)C)c(O)c(C(C)C)c1 ZINC000408847306 557267995 /nfs/dbraw/zinc/26/79/95/557267995.db2.gz UWHOBHVPLBWOCF-HSZRJFAPSA-N 0 0 445.559 5.771 40 30 IKEBRN CCOC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1cc(Cl)c(OC)c(Cl)c1 ZINC000408846026 557268619 /nfs/dbraw/zinc/26/86/19/557268619.db2.gz XFIHSLZQUFLPLZ-SFHVURJKSA-N 0 0 444.314 5.134 40 30 IKEBRN COc1ccc(C)cc1N=C1NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)S1 ZINC000408847880 557271682 /nfs/dbraw/zinc/27/16/82/557271682.db2.gz WNMMXUCSRGKZTQ-UCQKPKSFSA-N 0 0 448.519 5.613 40 30 IKEBRN CCCCCCCCOc1ccc(C=C2SC(Nc3cccc(Cl)c3)=NC2=O)cc1 ZINC000100872715 557277718 /nfs/dbraw/zinc/27/77/18/557277718.db2.gz UTUOAPGFLFOGNJ-CJLVFECKSA-N 0 0 443.012 7.162 40 30 IKEBRN Cc1c(C#N)c(NC(=O)COc2ccc(Cl)cc2)sc1C(=O)Nc1ccccc1C ZINC000000838419 557279588 /nfs/dbraw/zinc/27/95/88/557279588.db2.gz CNTQUHIHDOVABS-UHFFFAOYSA-N 0 0 439.924 5.160 40 30 IKEBRN O=C(C=C1Nc2ccc([N+](=O)[O-])cc2NC1=CC(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000100959335 557280021 /nfs/dbraw/zinc/28/00/21/557280021.db2.gz RHYBGKOYQMEOQJ-HDSGJDLKSA-N 0 0 447.397 5.244 40 30 IKEBRN C=CCN1C(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)S/C1=N/c1cccc2ccccc21 ZINC000100971604 557280276 /nfs/dbraw/zinc/28/02/76/557280276.db2.gz ZVEUVVZSFYYAMR-GLOZLRHISA-N 0 0 434.948 5.884 40 30 IKEBRN CCOc1cccc(/C=C2\S/C(=N\c3ccc(C)cc3)N(c3ccc(C)cc3)C2=O)c1O ZINC000101018647 557281389 /nfs/dbraw/zinc/28/13/89/557281389.db2.gz OJDAQGFZWLUUEA-JXKYSLRESA-N 0 0 444.556 6.216 40 30 IKEBRN N#Cc1c(/N=C/c2ccccc2Br)sc(-c2ccccc2)c1-c1ccccc1 ZINC000101206725 557284970 /nfs/dbraw/zinc/28/49/70/557284970.db2.gz HVJZZDGWXGOSTM-JVWAILMASA-N 0 0 443.369 7.467 40 30 IKEBRN O=C1N/C(=N\c2ccccc2)S/C1=C/c1ccc(OCc2c(F)cccc2Cl)cc1 ZINC000113831972 557307308 /nfs/dbraw/zinc/30/73/08/557307308.db2.gz CQTSWFFPNGHYPD-FYJGNVAPSA-N 0 0 438.911 5.950 40 30 IKEBRN COc1cc(/C=N/c2ccccc2)cc(Br)c1OCc1ccccc1Cl ZINC000113860519 557308285 /nfs/dbraw/zinc/30/82/85/557308285.db2.gz ZKTKKUVIISFIFY-ZMOGYAJESA-N 0 0 430.729 6.441 40 30 IKEBRN Cc1ccc(C(=O)C=C2Nc3ccc([N+](=O)[O-])cc3NC2=CC(=O)c2ccc(C)cc2)cc1 ZINC000102896292 557309408 /nfs/dbraw/zinc/30/94/08/557309408.db2.gz ORXNONNFHLAHLN-OZEVPFDHSA-N 0 0 439.471 5.583 40 30 IKEBRN CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)C1=C(O)C2=C(CC1)Nc1ccccc1S2 ZINC000102958848 557311085 /nfs/dbraw/zinc/31/10/85/557311085.db2.gz HCOPFRMPZDCQJQ-GOSISDBHSA-N 0 0 448.588 5.850 40 30 IKEBRN CCCCCCCCCC(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl ZINC000102998363 557311602 /nfs/dbraw/zinc/31/16/02/557311602.db2.gz FMZKARXFELVMEE-UHFFFAOYSA-N 0 0 435.395 7.325 40 30 IKEBRN CCCCCCCCOc1ccc(-c2cc(-c3ccc(OCCCC)cc3)ncn2)cc1 ZINC000103012866 557311814 /nfs/dbraw/zinc/31/18/14/557311814.db2.gz QTTZUKUGHVRNQS-UHFFFAOYSA-N 0 0 432.608 7.729 40 30 IKEBRN Clc1ccc(/C(=N/c2ccccc2)[C@H](Nc2ccccc2)c2ccc(Cl)cc2)cc1 ZINC000104046568 557319451 /nfs/dbraw/zinc/31/94/51/557319451.db2.gz UWSHCXPHJCVWGB-CGLBJELFSA-N 0 0 431.366 7.968 40 30 IKEBRN CC(=N\N=C(c1ccccc1)c1ccccc1)/C(C)=N\N=C(c1ccccc1)c1ccccc1 ZINC000104068746 557319788 /nfs/dbraw/zinc/31/97/88/557319788.db2.gz SQNDMHBJDILOHJ-FNKNYVMZSA-N 0 0 442.566 6.813 40 30 IKEBRN Cc1nc(-c2ccc(/N=C\c3ccc(N4CCC5(CCCCC5)CC4)cc3)cc2)cs1 ZINC000104113815 557320655 /nfs/dbraw/zinc/32/06/55/557320655.db2.gz YPJQRFCSDXOVNI-USHMODERSA-N 0 0 429.633 7.420 40 30 IKEBRN CCCCCCCCCCCCCCCCCc1nc2nc(Cl)c(Cl)nc2[nH]1 ZINC000104154397 557321316 /nfs/dbraw/zinc/32/13/16/557321316.db2.gz FQGQMIPHSHPTNB-UHFFFAOYSA-N 0 0 427.464 8.074 40 30 IKEBRN CCCCCCCCCCCCCCCC(=O)OC/C=C\COC(=O)c1ccccc1 ZINC000104192845 557321885 /nfs/dbraw/zinc/32/18/85/557321885.db2.gz WZXLLNLUJHYOJE-HNENSFHCSA-N 0 0 430.629 7.424 40 30 IKEBRN CO/C(=N\[C@H](NC(=S)N(C)c1ccccc1)C(Cl)(Cl)Cl)c1ccc(C)cc1 ZINC000102431526 557322527 /nfs/dbraw/zinc/32/25/27/557322527.db2.gz GPXRQNCGLLFFLM-CXJVOSNZSA-N 0 0 444.815 5.095 40 30 IKEBRN CCCCCCCCCCCCC/C=C/[C@H]1[C@H](C(=O)OC)N1[S@@](=O)c1ccc(C)cc1 ZINC000104316214 557324853 /nfs/dbraw/zinc/32/48/53/557324853.db2.gz AZKUUQNZEQUQCQ-HSJOOQPQSA-N 0 0 447.685 6.501 40 30 IKEBRN S=C1/C(=N/c2ccccc2)N(c2ccccc2)/C(=N/c2ccccn2)N1c1ccccc1 ZINC000104311643 557324971 /nfs/dbraw/zinc/32/49/71/557324971.db2.gz NTFQVQVCZMCMMY-PBIXCBGVSA-N 0 0 433.540 6.154 40 30 IKEBRN C=CCOC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OCC=C ZINC000104371687 557325728 /nfs/dbraw/zinc/32/57/28/557325728.db2.gz GCJWKOVZAOVXKZ-SANMLTNESA-N 0 0 438.693 7.565 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\C(C)=C/c1ccccc1 ZINC000104376677 557326012 /nfs/dbraw/zinc/32/60/12/557326012.db2.gz AVFQNOCRESGCFT-LNMKHQALSA-N 0 0 443.745 8.021 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\C(C)=C\c1ccccc1 ZINC000104376683 557326063 /nfs/dbraw/zinc/32/60/63/557326063.db2.gz AVFQNOCRESGCFT-JETRBOSFSA-N 0 0 443.745 8.021 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C\C=C\c1ccccc1 ZINC000104376699 557326082 /nfs/dbraw/zinc/32/60/82/557326082.db2.gz HYPWGBILDBPVEG-FCZQUEJFSA-N 0 0 429.718 7.631 40 30 IKEBRN CCCCCCCCCCCCCCCCNC(=S)N/N=C/C=C/c1ccccc1 ZINC000104376703 557326117 /nfs/dbraw/zinc/32/61/17/557326117.db2.gz HYPWGBILDBPVEG-HXBANFOFSA-N 0 0 429.718 7.631 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)sc2C1 ZINC000014273269 557332132 /nfs/dbraw/zinc/33/21/32/557332132.db2.gz DRIRRCKQTROLNF-AWEZNQCLSA-N 0 0 449.532 6.191 40 30 IKEBRN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)c(Cl)c1 ZINC000014271484 557332415 /nfs/dbraw/zinc/33/24/15/557332415.db2.gz BMOGXRCRGOJKIF-ZDUSSCGKSA-N 0 0 446.041 5.859 40 30 IKEBRN C=CCN1C(=O)[C@@H](Cc2cccc(C(F)(F)F)c2)S/C1=N\N=C(\C)c1ccc(F)cc1 ZINC000013634320 557383902 /nfs/dbraw/zinc/38/39/02/557383902.db2.gz QEDZPCJTDQBXSY-UZULURGESA-N 0 0 449.473 5.297 40 30 IKEBRN C=CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(C)c1C ZINC000013879691 557392951 /nfs/dbraw/zinc/39/29/51/557392951.db2.gz AXNIGWQSAPGJRV-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1Cl ZINC000013841989 557394837 /nfs/dbraw/zinc/39/48/37/557394837.db2.gz DYSZZGMSIJFSAC-UHFFFAOYSA-N 0 0 449.363 5.081 40 30 IKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000013841985 557394851 /nfs/dbraw/zinc/39/48/51/557394851.db2.gz BOFADEMTAMVRSI-UHFFFAOYSA-N 0 0 449.363 5.081 40 30 IKEBRN C=CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)cc1C ZINC000013841999 557394862 /nfs/dbraw/zinc/39/48/62/557394862.db2.gz LLNFEHULSCJSPJ-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 ZINC000013845444 557395603 /nfs/dbraw/zinc/39/56/03/557395603.db2.gz BOLCEFJONJZAJR-UHFFFAOYSA-N 0 0 436.364 5.651 40 30 IKEBRN N#Cc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1C#N ZINC000000844116 557402337 /nfs/dbraw/zinc/40/23/37/557402337.db2.gz WSPWEOHQQSZEMX-UHFFFAOYSA-N 0 0 425.289 5.917 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]([C@H](C)[N+](=O)[O-])[C@H](/C(C)=N/O)[C@@]4(C)CC[C@@H]32)C1 ZINC000118913393 557404897 /nfs/dbraw/zinc/40/48/97/557404897.db2.gz VOETZVYTDQTIBX-LLZDANKZSA-N 0 0 446.588 5.239 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000118913497 557405179 /nfs/dbraw/zinc/40/51/79/557405179.db2.gz LJQHVTRFOZQNII-WISZKZHUSA-N 0 0 444.537 6.592 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@@H](OCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914834 557405472 /nfs/dbraw/zinc/40/54/72/557405472.db2.gz TUEREPUZRGDETH-BEQUJODCSA-N 0 0 436.592 5.645 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H](OCc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914831 557405491 /nfs/dbraw/zinc/40/54/91/557405491.db2.gz TUEREPUZRGDETH-PSTRLGLBSA-N 0 0 436.592 5.645 40 30 IKEBRN CC(=O)O[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@]4(C)C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3C/C(=N/O)[C@]12C ZINC000118922812 557406302 /nfs/dbraw/zinc/40/63/02/557406302.db2.gz LVLQUIZWMULUMY-SGRVVIFSSA-N 0 0 447.616 5.359 40 30 IKEBRN C=C(C)[C@@H]1CC[C@@]2(C=O)CC[C@@]3(C)[C@@H](CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12 ZINC000118936599 557408193 /nfs/dbraw/zinc/40/81/93/557408193.db2.gz FELCJAPFJOPHSD-HBQDOYKASA-N 0 0 440.712 7.204 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccc(C)c1 ZINC000014082181 557418866 /nfs/dbraw/zinc/41/88/66/557418866.db2.gz WPHZAYGETGCWGN-UHFFFAOYSA-N 0 0 433.364 5.477 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(C)cc1 ZINC000014082390 557418895 /nfs/dbraw/zinc/41/88/95/557418895.db2.gz LIDXFNCNNLCJCF-UHFFFAOYSA-N 0 0 433.364 5.477 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 ZINC000014069637 557420065 /nfs/dbraw/zinc/42/00/65/557420065.db2.gz RPBLSQCYNYGPDV-UHFFFAOYSA-N 0 0 441.969 5.125 40 30 IKEBRN C=CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000014117852 557420625 /nfs/dbraw/zinc/42/06/25/557420625.db2.gz PYSCYFRWFPGPBC-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000014126770 557421179 /nfs/dbraw/zinc/42/11/79/557421179.db2.gz TXUXPHRWNKYFEC-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(Cl)c1 ZINC000014126774 557421206 /nfs/dbraw/zinc/42/12/06/557421206.db2.gz ZIEDNZKPHVMSJY-UHFFFAOYSA-N 0 0 442.972 5.044 40 30 IKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1c(C)cccc1C ZINC000014133424 557422363 /nfs/dbraw/zinc/42/23/63/557422363.db2.gz VIGRJZBSWBHWBB-UHFFFAOYSA-N 0 0 436.581 5.008 40 30 IKEBRN COc1c(Br)cc(Br)cc1C(=O)Nc1sc(C)c(C)c1C#N ZINC000014273247 557432737 /nfs/dbraw/zinc/43/27/37/557432737.db2.gz SUJHCCIFXDFCEX-UHFFFAOYSA-N 0 0 444.148 5.023 40 30 IKEBRN Cc1c(C=NN=c2[nH]c3ccccc3s2)c2ccccc2n1Cc1ccccc1Cl ZINC000014408462 557444022 /nfs/dbraw/zinc/44/40/22/557444022.db2.gz WQFHOQRDZAPCKI-VULFUBBASA-N 0 0 430.964 6.707 40 30 IKEBRN Clc1cccc(COc2ccc(Cl)cc2C=NN=c2[nH]c3ccccc3s2)c1 ZINC000014408406 557444146 /nfs/dbraw/zinc/44/41/46/557444146.db2.gz QDKIBTLKTFCUNR-WYMPLXKRSA-N 0 0 428.344 6.628 40 30 IKEBRN Cc1ccc(C(=O)Oc2cccc([C@@H]3Sc4ccccc4NC4=C3C(=O)CCC4)c2)cc1 ZINC000014671936 557449139 /nfs/dbraw/zinc/44/91/39/557449139.db2.gz PCUIXPDSYDCIIX-SANMLTNESA-N 0 0 441.552 6.480 40 30 IKEBRN COc1cc([C@H]2Sc3ccccc3NC3=C2C(=O)CCC3)ccc1OCc1ccccc1 ZINC000014671913 557449211 /nfs/dbraw/zinc/44/92/11/557449211.db2.gz BHQXVHWVJNSIQO-HHHXNRCGSA-N 0 0 443.568 6.540 40 30 IKEBRN CCOc1cc(C=NNc2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1 ZINC000015931473 557466950 /nfs/dbraw/zinc/46/69/50/557466950.db2.gz IUHIZDWNXGMFNF-AFUMVMLFSA-N 0 0 437.952 6.373 40 30 IKEBRN CC(C)(C)C1C/C(=C\c2cccc3ccccc23)C(=O)/C(=C/c2cccc3ccccc23)C1 ZINC000016322761 557472506 /nfs/dbraw/zinc/47/25/06/557472506.db2.gz GIAHGDDTCDWLSF-BFNWXZRRSA-N 0 0 430.591 8.485 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3CC)S/C1=N/c1ccccc1 ZINC000223472839 557476045 /nfs/dbraw/zinc/47/60/45/557476045.db2.gz QEOGBPFVBWYANU-YUBLGUFESA-N 0 0 431.605 6.332 40 30 IKEBRN COc1cc(/C=C2\S/C(=N/c3ccc(C)cc3)NC2=O)ccc1OCc1ccc(C)cc1 ZINC000026464575 557476955 /nfs/dbraw/zinc/47/69/55/557476955.db2.gz GDGBYQMPCKVJGT-IWIPYMOSSA-N 0 0 444.556 5.783 40 30 IKEBRN CCN1C(=O)/C(=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)S/C1=N/c1ccccc1 ZINC000223484989 557477804 /nfs/dbraw/zinc/47/78/04/557477804.db2.gz JQIGWLKZZUCQEL-WFFFFOTMSA-N 0 0 445.632 6.721 40 30 IKEBRN CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3\S/C(=N\c4ccc(F)cc4)NC3=O)cc21 ZINC000223485262 557478143 /nfs/dbraw/zinc/47/81/43/557478143.db2.gz NOPMKHVKKUGKJW-XKZIYDEJSA-N 0 0 435.568 6.128 40 30 IKEBRN COc1ccccc1Oc1ccc(/N=C/c2ccc3c(c2)C(C)=CC(C)(C)N3C(C)C)cc1 ZINC000223491275 557478802 /nfs/dbraw/zinc/47/88/02/557478802.db2.gz HHUJBKQSFPYLSP-NDZAJKAJSA-N 0 0 440.587 7.648 40 30 IKEBRN COc1ccc(Oc2ccc(/N=C/c3ccc4c(c3)C(C)=CC(C)(C)N4C(C)C)cc2)cc1 ZINC000223491355 557479059 /nfs/dbraw/zinc/47/90/59/557479059.db2.gz VSNJFWRTINKPOX-NDZAJKAJSA-N 0 0 440.587 7.648 40 30 IKEBRN Cc1cc2c(cc1/C=C1\S/C(=N/c3ccccc3)N(C)C1=O)C(C)=CC(C)(C)N2C(C)C ZINC000223510877 557480884 /nfs/dbraw/zinc/48/08/84/557480884.db2.gz UWUQGAZVPHEQAX-IIZUOHISSA-N 0 0 445.632 6.639 40 30 IKEBRN CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc4c(c3)[C@@H](C)CC(C)(C)N4CC)S2)cc1 ZINC000223534516 557482825 /nfs/dbraw/zinc/48/28/25/557482825.db2.gz KSCMMWJSUILPFI-XYLCRUHJSA-N 0 0 449.620 6.089 40 30 IKEBRN CCOc1ccc([C@H]2C3C(=O)C[C@@H](c4ccccc4)CC3=Nc3nc4ccccc4n32)cc1 ZINC000017099623 557483273 /nfs/dbraw/zinc/48/32/73/557483273.db2.gz ZMJPANBRTQPAAO-DCFHFQCYSA-N 0 0 435.527 5.851 40 30 IKEBRN O=C1C[C@@H](c2cccs2)CC2=Nc3nc4ccccc4n3[C@H](c3c[nH]c4ccccc43)C12 ZINC000017100480 557489080 /nfs/dbraw/zinc/48/90/80/557489080.db2.gz SSJIPWRKLLMHBW-ODCWNRFASA-N 0 0 436.540 5.995 40 30 IKEBRN Cc1ccc(/N=C2/NC(=O)/C(=C/c3cc4c(cc3C)N(C(C)C)C(C)(C)C[C@@H]4C)S2)cc1 ZINC000223601810 557490517 /nfs/dbraw/zinc/49/05/17/557490517.db2.gz XLQNWKQAVWVYLN-QCYAWUEASA-N 0 0 447.648 6.696 40 30 IKEBRN Cc1nn2c(c1-c1ccccc1)N=C1C[C@@H](C)CC(=O)C1[C@H]2c1ccc(Cl)cc1Cl ZINC000017101970 557490730 /nfs/dbraw/zinc/49/07/30/557490730.db2.gz AMIUUJYTQBRGGW-JCQPUDPBSA-N 0 0 438.358 6.433 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F ZINC000118916211 557493608 /nfs/dbraw/zinc/49/36/08/557493608.db2.gz FHIHDASURXFVSB-FFZJPKMISA-N 0 0 444.585 7.913 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O ZINC000118916312 557493776 /nfs/dbraw/zinc/49/37/76/557493776.db2.gz YGBQOUNQDOEMKJ-ZUFRPPAHSA-N 0 0 445.430 6.880 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O ZINC000118916317 557493841 /nfs/dbraw/zinc/49/38/41/557493841.db2.gz UELTYJDTQILMTO-UWOMPGFVSA-N 0 0 446.553 6.671 40 30 IKEBRN C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3C[C@H](OS(=O)(=O)c4ccc(F)cc4)CC[C@]3(C)[C@H]1CC2 ZINC000118933142 557494022 /nfs/dbraw/zinc/49/40/22/557494022.db2.gz BNXIOYCVQJVXLJ-QJTNWPHTSA-N 0 0 434.617 6.332 40 30 IKEBRN COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@]12C ZINC000118923926 557494533 /nfs/dbraw/zinc/49/45/33/557494533.db2.gz SUISKBUAOOSHAW-CVJPPJECSA-N 0 0 444.612 5.265 40 30 IKEBRN CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4/C(=N\[N+](=O)[O-])CCC[C@]4(C)[C@H]3CC[C@]12C ZINC000118928116 557495190 /nfs/dbraw/zinc/49/51/90/557495190.db2.gz ZJFYDPFCQFKJHC-WMLMAEKHSA-N 0 0 430.677 7.740 40 30 IKEBRN Cc1ccc([C@H]2CC(=O)C3C(=Nc4nc5ccccc5n4[C@H]3c3c[nH]c4ccccc43)C2)cc1 ZINC000019641169 557503904 /nfs/dbraw/zinc/50/39/04/557503904.db2.gz GYCLRVDCSWEASW-GDJIYFAZSA-N 0 0 444.538 6.242 40 30 IKEBRN COc1cccc(/C=C2/S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)c1OC ZINC000019641344 557503959 /nfs/dbraw/zinc/50/39/59/557503959.db2.gz QXCHNEVRCWRNJA-BVGVAWRYSA-N 0 0 444.556 5.816 40 30 IKEBRN Cc1nc2n(n1)[C@@H](c1cccc(Oc3ccccc3)c1)C1C(=O)C[C@H](c3ccccc3)CC1=N2 ZINC000019647412 557505344 /nfs/dbraw/zinc/50/53/44/557505344.db2.gz IKLBZVHMXYKIIN-ZBLYBZFDSA-N 0 0 448.526 5.795 40 30 IKEBRN Cc1nc2n(n1)[C@H](c1cccc(Oc3ccccc3)c1)C1C(=O)C[C@@H](c3ccccc3)CC1=N2 ZINC000019647403 557505415 /nfs/dbraw/zinc/50/54/15/557505415.db2.gz IKLBZVHMXYKIIN-KDYSTLNUSA-N 0 0 448.526 5.795 40 30 IKEBRN CC(C)(C)c1ccc(C(=O)/N=C2\N=C3C=CC(Br)=CN3Cc3ccccc32)cc1 ZINC000003177554 557523479 /nfs/dbraw/zinc/52/34/79/557523479.db2.gz QEGVOFCGLKLXNS-QYQHSDTDSA-N 0 0 448.364 5.591 40 30 IKEBRN CC(C)c1ccc(/C=N/NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 ZINC000003201821 557523490 /nfs/dbraw/zinc/52/34/90/557523490.db2.gz YJWYVTARSZYTHP-WPWMEQJKSA-N 0 0 428.472 7.039 40 30 IKEBRN CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118915126 557544206 /nfs/dbraw/zinc/54/42/06/557544206.db2.gz AXNNSHMUJUSTKY-AUBLJOOZSA-N 0 0 434.620 5.744 40 30 IKEBRN CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@@H]4CC[C@@](O)(C#Cc5ccccc5)[C@@]4(C)CC[C@@H]32)C1 ZINC000118914955 557544257 /nfs/dbraw/zinc/54/42/57/557544257.db2.gz AXNNSHMUJUSTKY-TVPNUPDRSA-N 0 0 434.620 5.744 40 30 IKEBRN C=C(C)[C@H]1CC[C@]2(C)[C@@H]1[C@@H]1CC[C@@H]3[C@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@]3(C)[C@@]1(C)C[C@@H]2O ZINC000118930125 557544368 /nfs/dbraw/zinc/54/43/68/557544368.db2.gz AJBZENLMTKDAEK-VHGFNKRRSA-N 0 0 442.728 6.996 40 30 IKEBRN C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)C2=O ZINC000118916322 557544869 /nfs/dbraw/zinc/54/48/69/557544869.db2.gz PXDOMWMSMCFAEF-XUWCKDQISA-N 0 0 444.562 6.254 40 30 IKEBRN Cc1ccc2c(c1)S/C(=C1/C[C@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C1=O)S2 ZINC000118916142 557545130 /nfs/dbraw/zinc/54/51/30/557545130.db2.gz YMDSWPZYGHRYGY-QGFLGDHBSA-N 0 0 438.702 8.016 40 30 IKEBRN Clc1ccc(-c2csc(N=NCc3cccc(Br)c3)n2)c(Cl)c1 ZINC000033377764 557807397 /nfs/dbraw/zinc/80/73/97/557807397.db2.gz VQRATKFZUBQMEW-DNTJNYDQSA-N 0 0 427.154 6.325 40 30 IKEBRN Clc1ccc(-n2c(-c3ccccc3)cc(/C=N/c3ccccn3)c2-c2ccccc2)cc1 ZINC000033497966 557808885 /nfs/dbraw/zinc/80/88/85/557808885.db2.gz CFJFMMPAGXFEIT-AJBULDERSA-N 0 0 433.942 7.610 40 30 IKEBRN COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000033630493 557809403 /nfs/dbraw/zinc/80/94/03/557809403.db2.gz GLWAHTZESGBQDO-HMAPJEAMSA-N 0 0 434.492 5.305 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccccc3)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000033630492 557809412 /nfs/dbraw/zinc/80/94/12/557809412.db2.gz GLWAHTZESGBQDO-HYARGMPZSA-N 0 0 434.492 5.305 40 30 IKEBRN O=C(NCc1ccco1)c1c(/N=C\c2ccc(Br)cc2)sc2c1CCCC2 ZINC000058826569 557812792 /nfs/dbraw/zinc/81/27/92/557812792.db2.gz BAMSHMXSVSASMK-MSXFZWOLSA-N 0 0 443.366 5.663 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1ccc(C)cc1 ZINC000059105885 557813525 /nfs/dbraw/zinc/81/35/25/557813525.db2.gz OECUDKIGOMEQQM-OEAKJJBVSA-N 0 0 448.519 5.613 40 30 IKEBRN C=CCc1cc(/C=C2\S/C(=N/C)N(C)C2=O)cc(OCC)c1OCc1cccc(C)c1 ZINC000059104089 557814080 /nfs/dbraw/zinc/81/40/80/557814080.db2.gz XDXBQOFZMINSAR-INCSMEFSSA-N 0 0 436.577 5.233 40 30 IKEBRN C/N=C1/S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C(=O)N1C ZINC000059104528 557814282 /nfs/dbraw/zinc/81/42/82/557814282.db2.gz XKZKQIVNMJCGHJ-PDIQUHFFSA-N 0 0 437.348 5.113 40 30 IKEBRN CCc1ccc(/N=C2\S/C(=C\c3ccc(Cl)cc3)C(=O)N2c2ccc(CC)cc2)cc1 ZINC000059104975 557814544 /nfs/dbraw/zinc/81/45/44/557814544.db2.gz CCVCABMEVNYXQS-NMRWETQTSA-N 0 0 447.003 7.273 40 30 IKEBRN O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000059105708 557814572 /nfs/dbraw/zinc/81/45/72/557814572.db2.gz MSXJONYADHFJMX-ZDLGFXPLSA-N 0 0 443.843 5.539 40 30 IKEBRN COc1cc(/C=C2/S/C(=N\c3ccc(F)cc3)NC2=O)ccc1OCc1cccc(C)c1 ZINC000059105771 557814731 /nfs/dbraw/zinc/81/47/31/557814731.db2.gz UAZRDKUFHUSGDU-OEAKJJBVSA-N 0 0 448.519 5.613 40 30 IKEBRN C=CCOc1ccc(/C=C2\C(=O)N(c3ccc(C(C)C)cc3)C(C)=C2C(=O)OC)cc1OC ZINC000058884056 557814745 /nfs/dbraw/zinc/81/47/45/557814745.db2.gz YBPXLIXYZIDQKR-JCMHNJIXSA-N 0 0 447.531 5.261 40 30 IKEBRN COc1cc(CN=Nc2nc(-c3ccccc3)cs2)ccc1OC(=O)c1ccccc1 ZINC000059193617 557818041 /nfs/dbraw/zinc/81/80/41/557818041.db2.gz KSRXJUHVZBQQPN-MFKUBSTISA-N 0 0 429.501 5.484 40 30 IKEBRN CC(N=Nc1nc(-c2ccccc2)cs1)c1ccc(OCc2ccccc2Cl)cc1 ZINC000059193681 557818235 /nfs/dbraw/zinc/81/82/35/557818235.db2.gz ZLTPKFPJBBZJIM-WPWMEQJKSA-N 0 0 433.964 6.879 40 30 IKEBRN O=C(Oc1ccc(CN=Nc2nc(-c3ccccc3)cs2)cc1)c1cccc([N+](=O)[O-])c1 ZINC000059193639 557818248 /nfs/dbraw/zinc/81/82/48/557818248.db2.gz WNGJGQPESJOPMG-ZVHZXABRSA-N 0 0 444.472 5.384 40 30 IKEBRN COc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc(OC)c1O ZINC000059245896 557818975 /nfs/dbraw/zinc/81/89/75/557818975.db2.gz BJMBFNSPCBHAQM-AFUMVMLFSA-N 0 0 436.533 5.353 40 30 IKEBRN CC(C)(C)c1cc(/C=C2\S/C(=N/c3ccc(F)cc3)NC2=O)cc(C(C)(C)C)c1O ZINC000059105990 557820227 /nfs/dbraw/zinc/82/02/27/557820227.db2.gz BBPAJMVZCWXJKP-UYRXBGFRSA-N 0 0 426.557 6.018 40 30 IKEBRN COC(=O)c1cccc(-c2ccc(/C=C3/S/C(=N/c4ccc(F)cc4)NC3=O)o2)c1C ZINC000059105993 557820292 /nfs/dbraw/zinc/82/02/92/557820292.db2.gz ZXEFWOSGAUOWFX-UDWIEESQSA-N 0 0 436.464 5.072 40 30 IKEBRN COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=Cc2ccc(OCc3ccccc3)cc2)C1=O ZINC000059435687 557820585 /nfs/dbraw/zinc/82/05/85/557820585.db2.gz DPFPZCVCEARJKA-KOEQRZSOSA-N 0 0 439.511 5.451 40 30 IKEBRN C(=N/C1=N[C@H](c2ccco2)[C@H](c2ccco2)S1)\c1ccccc1OCc1ccccc1 ZINC000059461381 557821304 /nfs/dbraw/zinc/82/13/04/557821304.db2.gz GQZQAMIOMRPPDC-DWYQAMBJSA-N 0 0 428.513 6.456 40 30 IKEBRN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\S/C(=N\c3cc(C)ccc3C)NC2=O)o1 ZINC000059459449 557821400 /nfs/dbraw/zinc/82/14/00/557821400.db2.gz ZRCCYDDVIZMLMC-MTJSOVHGSA-N 0 0 449.488 5.372 40 30 IKEBRN COc1cccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)c1O ZINC000059463674 557821537 /nfs/dbraw/zinc/82/15/37/557821537.db2.gz CYHFEMNSZRPGDL-ZVHZXABRSA-N 0 0 431.473 5.850 40 30 IKEBRN COc1ccc(/C=N/c2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1OC ZINC000059463676 557821589 /nfs/dbraw/zinc/82/15/89/557821589.db2.gz PSACISSVRXGKGZ-MFKUBSTISA-N 0 0 445.500 6.153 40 30 IKEBRN COc1ccc(-c2nc(/N=C/c3ccccc3Cl)sc2-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000059463742 557821727 /nfs/dbraw/zinc/82/17/27/557821727.db2.gz TYKZFGOBXNNINF-AFUMVMLFSA-N 0 0 449.919 6.798 40 30 IKEBRN COc1ccc(/C=N/c2nc(-c3ccc(OC)cc3)c(-c3ccc([N+](=O)[O-])cc3)s2)cc1 ZINC000059463753 557821743 /nfs/dbraw/zinc/82/17/43/557821743.db2.gz RDQHDBDUWQXPCU-MFKUBSTISA-N 0 0 445.500 6.153 40 30 IKEBRN Cc1ccc(-c2nc(/N=C/c3ccccc3O)sc2-c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000059463799 557821776 /nfs/dbraw/zinc/82/17/76/557821776.db2.gz ZZZMPPKOFYQIDN-AFUMVMLFSA-N 0 0 429.501 6.458 40 30 IKEBRN Cc1cccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccc(Cl)cc4)cs3)cc2)c1 ZINC000059387412 557822390 /nfs/dbraw/zinc/82/23/90/557822390.db2.gz HLAJDEGXAUTYLP-VULFUBBASA-N 0 0 447.947 6.437 40 30 IKEBRN Cc1ccc(S(=O)(=O)Oc2ccccc2CN=Nc2nc(-c3ccccc3)cs2)cc1 ZINC000059387325 557822425 /nfs/dbraw/zinc/82/24/25/557822425.db2.gz HFIPUUHFWXNQCQ-BUVRLJJBSA-N 0 0 449.557 5.332 40 30 IKEBRN O=C1N/C(=N/c2ccccc2Cl)S/C1=C/c1ccc(OCc2ccccc2F)cc1 ZINC000059418051 557823207 /nfs/dbraw/zinc/82/32/07/557823207.db2.gz SBJSYQIACMMBBL-FYJGNVAPSA-N 0 0 438.911 5.950 40 30 IKEBRN COc1ccc(/N=C/c2cc(-c3ccccc3)n(-c3ccc(C)cc3)c2-c2ccccc2)cc1 ZINC000059426329 557823560 /nfs/dbraw/zinc/82/35/60/557823560.db2.gz ZVHZHXLMIGQCGU-WEMUVCOSSA-N 0 0 442.562 7.879 40 30 IKEBRN Cc1cc(C)cc(N=C2NC(=O)C(=CC3=CC(=NNc4ccccc4)C=CC3=O)S2)c1 ZINC000059426786 557823596 /nfs/dbraw/zinc/82/35/96/557823596.db2.gz QVOHRVXRGWUJJC-ACYHEVRDSA-N 0 0 428.517 6.316 40 30 IKEBRN N#Cc1c2c(sc1/N=C/c1ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc1)CCCC2 ZINC000059426503 557823601 /nfs/dbraw/zinc/82/36/01/557823601.db2.gz SMSLEXSKNZZBMZ-ZMOGYAJESA-N 0 0 448.460 5.858 40 30 IKEBRN COc1ccc(-c2c(C#N)c(/N=C/c3ccc(C)c([N+](=O)[O-])c3)oc2-c2ccccc2)cc1 ZINC000059433143 557823855 /nfs/dbraw/zinc/82/38/55/557823855.db2.gz KFWLVRQSDJCVCL-LQKURTRISA-N 0 0 437.455 6.461 40 30 IKEBRN CC(=O)OC1=C2C(=NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000059428056 557823885 /nfs/dbraw/zinc/82/38/85/557823885.db2.gz XOBSPUSJSCBDDR-OAQYLSRUSA-N 0 0 442.471 5.112 40 30 IKEBRN O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1cc([N+](=O)[O-])ccc1Cl ZINC000059566730 557823995 /nfs/dbraw/zinc/82/39/95/557823995.db2.gz ZQUFEXACWYLTCS-QPEQYQDCSA-N 0 0 428.684 5.447 40 30 IKEBRN COc1cc(/C=N/c2c(-c3ccco3)nc3ccccn32)ccc1OCc1ccccc1F ZINC000059639233 557824334 /nfs/dbraw/zinc/82/43/34/557824334.db2.gz JIBXJRBASKMHLZ-LQKURTRISA-N 0 0 441.462 6.072 40 30 IKEBRN CSc1nc2ccc(/N=C/c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)cc2s1 ZINC000059483318 557825061 /nfs/dbraw/zinc/82/50/61/557825061.db2.gz XGXKFEQRKRLFBK-WSDLNYQXSA-N 0 0 438.559 6.223 40 30 IKEBRN COC(=O)c1ccc(CN=Nc2nc(-c3ccc(Cl)cc3)c(-c3ccccc3)s2)cc1 ZINC000059484210 557825069 /nfs/dbraw/zinc/82/50/69/557825069.db2.gz PVKHNFYPITXPJB-CVKSISIWSA-N 0 0 447.947 6.363 40 30 IKEBRN Cc1ccc(-c2nc(N=NCc3ccc(Br)cc3)sc2-c2ccccc2)cc1 ZINC000059484246 557825290 /nfs/dbraw/zinc/82/52/90/557825290.db2.gz UTOZXQYVIRPLCL-MFKUBSTISA-N 0 0 448.389 6.994 40 30 IKEBRN Cc1ccccc1/N=C1\S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1C ZINC000059484378 557825338 /nfs/dbraw/zinc/82/53/38/557825338.db2.gz HZXTURABEAAKGO-YWROOUKNSA-N 0 0 429.501 6.020 40 30 IKEBRN O=C1/C(=C/c2cccc3ccccc23)S/C(=N\Cc2ccccc2)N1Cc1ccccc1 ZINC000059484857 557825490 /nfs/dbraw/zinc/82/54/90/557825490.db2.gz IQQDJTPGXJRMCK-BGTPXQLESA-N 0 0 434.564 6.513 40 30 IKEBRN C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc3c(c2)oc2ccccc23)C[C@@H](C)O1 ZINC000059488594 557825632 /nfs/dbraw/zinc/82/56/32/557825632.db2.gz RWZXQKINCTWOLT-FYVWAVOESA-N 0 0 429.476 5.858 40 30 IKEBRN O=C1c2ccccc2C(=O)C1=Cc1ccc(Sc2cccc3cccnc32)c([N+](=O)[O-])c1 ZINC000059490094 557826338 /nfs/dbraw/zinc/82/63/38/557826338.db2.gz KWWUQRWGAXAPET-UHFFFAOYSA-N 0 0 438.464 5.757 40 30 IKEBRN COC(=O)c1ccccc1/N=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl ZINC000059500722 557826464 /nfs/dbraw/zinc/82/64/64/557826464.db2.gz OWQVZGVWBOBCMN-VULFUBBASA-N 0 0 449.915 6.311 40 30 IKEBRN O=C(Oc1ccc(/C=N/c2ccc(Cl)cc2)cc1)c1sc2ccccc2c1Cl ZINC000059500706 557826473 /nfs/dbraw/zinc/82/64/73/557826473.db2.gz TWWCTUUCUQEMOU-DHRITJCHSA-N 0 0 426.324 7.178 40 30 IKEBRN COC(=O)c1cccc(/N=C/c2ccc(OC(=O)c3sc4ccccc4c3Cl)cc2)c1 ZINC000059500711 557826480 /nfs/dbraw/zinc/82/64/80/557826480.db2.gz JAVZXDLWDNLJST-VULFUBBASA-N 0 0 449.915 6.311 40 30 IKEBRN O=C1c2ccccc2S/C1=C\c1ccc(-c2ccc(I)cc2)o1 ZINC000059503507 557826697 /nfs/dbraw/zinc/82/66/97/557826697.db2.gz AXYQGDOBXFGFEJ-WQRHYEAKSA-N 0 0 430.266 5.881 40 30 IKEBRN N#Cc1c(/N=C/c2ccc(Br)cc2)oc(-c2ccccc2)c1-c1ccccc1 ZINC000059503476 557826706 /nfs/dbraw/zinc/82/67/06/557826706.db2.gz OHXNAQFPSSXJRY-JVWAILMASA-N 0 0 427.301 6.998 40 30 IKEBRN O=C(Oc1ccc(/C=C2/S/C(=N/c3ccccc3Cl)NC2=O)cc1)c1ccccc1 ZINC000059502382 557826715 /nfs/dbraw/zinc/82/67/15/557826715.db2.gz GWNKLRTWMIMJOM-XSFVSMFZSA-N 0 0 434.904 5.451 40 30 IKEBRN COC(=O)c1ccc(/N=C/c2cccc(OC(=O)c3sc4ccccc4c3Cl)c2)cc1 ZINC000059503594 557826926 /nfs/dbraw/zinc/82/69/26/557826926.db2.gz BHJPBNHUFXYUNK-VULFUBBASA-N 0 0 449.915 6.311 40 30 IKEBRN Cc1c(C#N)c(NC(=O)COc2ccccc2C)sc1C(=O)Nc1cccc(C)c1C ZINC000000871372 557840993 /nfs/dbraw/zinc/84/09/93/557840993.db2.gz YELCHODZDWVQND-UHFFFAOYSA-N 0 0 433.533 5.123 40 30 IKEBRN Cc1c(C#N)c(NC(=O)c2ccc(Cl)c(Cl)c2)sc1C(=O)Nc1ccccc1C ZINC000000870711 557841003 /nfs/dbraw/zinc/84/10/03/557841003.db2.gz KLORSBVJOOQQTO-UHFFFAOYSA-N 0 0 444.343 6.048 40 30 IKEBRN CCOc1ccc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C)cc2c1 ZINC000000887555 557851390 /nfs/dbraw/zinc/85/13/90/557851390.db2.gz NOPLNOSIAIVRDH-UHFFFAOYSA-N 0 0 437.590 5.485 40 30 IKEBRN CC(C)=CCC/C(C)=C/CC/C(C)=C\CCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O ZINC000003874202 557852469 /nfs/dbraw/zinc/85/24/69/557852469.db2.gz DKHGMERMDICWDU-OFLNSDMBSA-N 0 0 444.659 8.918 40 30 aggregator,investigational IKEBRN Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3sc4c(c3C#N)CCOC4)c2c1 ZINC000000892257 557858950 /nfs/dbraw/zinc/85/89/50/557858950.db2.gz BNONBWVVBPYBJT-UHFFFAOYSA-N 0 0 425.513 5.468 40 30 IKEBRN C=C(C)[C@H]1CC[C@@]2(C=O)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@H]5CC[C@@]43C)[C@@H]12 ZINC000253501193 560037871 /nfs/dbraw/zinc/03/78/71/560037871.db2.gz MHAVMNJPXLZEIG-OUQCXBJOSA-N 0 0 438.696 7.412 40 30 biogenic,in-vitro IKEBRN C=C(C)[C@H](O)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253534228 560039924 /nfs/dbraw/zinc/03/99/24/560039924.db2.gz XTCFYHGQQPCUJI-VDXKGVKBSA-N 0 0 444.744 7.386 40 30 biogenic,in-vitro IKEBRN C=C(C)[C@@H](O)CC[C@@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C ZINC000253534227 560039930 /nfs/dbraw/zinc/03/99/30/560039930.db2.gz XTCFYHGQQPCUJI-KUKCXLQESA-N 0 0 444.744 7.386 40 30 biogenic,in-vitro IKEBRN C=C(C)[C@@H]1CC[C@]2(C)CC[C@@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 ZINC000005195078 560201332 /nfs/dbraw/zinc/20/13/32/560201332.db2.gz MQYXUWHLBZFQQO-SROVDQKYSA-N 0 0 426.729 8.025 40 30 in-vitro IKEBRN C=CC(C)(C)c1cc([C@@H]2COc3cc(O)c(CC=C(C)C)c(O)c3C2=O)c(OC)cc1O ZINC000015121008 560228761 /nfs/dbraw/zinc/22/87/61/560228761.db2.gz UTHDGFYWNZCMEW-KRWDZBQOSA-N 0 0 438.520 5.143 40 30 biogenic,in-vitro IKEBRN Cc1cccc2cc(CN(Cc3ccco3)C(=O)Nc3cccc(C#N)c3)c(Cl)nc12 ZINC000001339439 562921290 /nfs/dbraw/zinc/92/12/90/562921290.db2.gz FSABWXNUKXBSCU-UHFFFAOYSA-N 0 0 430.895 5.896 40 30 aggregator IKEBRN CC(=O)[C@@]12O[C@@](C)(c3ccccc3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]12C ZINC000004759030 562943568 /nfs/dbraw/zinc/94/35/68/562943568.db2.gz AHBKIEXBQNRDNL-YNRKOCOGSA-N 0 0 448.603 5.744 40 30 in-man IKEBRN CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@@](C)(O)CCC1=C(C)C(=O)C(C)=C(C)C1=O ZINC000059498704 563146640 /nfs/dbraw/zinc/14/66/40/563146640.db2.gz LNOVHERIIMJMDG-XZXLULOTSA-N 0 0 440.668 7.522 40 30 investigational IKEBRN COc1ccc(C(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 ZINC000408652004 568613915 /nfs/dbraw/zinc/61/39/15/568613915.db2.gz CYJQPYUYBIEEDM-QDEBKDIKSA-N 0 0 443.326 6.486 40 30 IKEBRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc2cc(C)ccc2cc1C#N ZINC000000906821 568635535 /nfs/dbraw/zinc/63/55/35/568635535.db2.gz NCZVCEONBDESEA-UHFFFAOYSA-N 0 0 439.562 5.001 40 30 IKEBRN COc1ccc2cc(C#N)c(SCC(=O)N(c3ccccc3)c3ccccc3)nc2c1 ZINC000001354744 568781099 /nfs/dbraw/zinc/78/10/99/568781099.db2.gz RDRZPMDDEXRUKL-UHFFFAOYSA-N 0 0 425.513 5.572 40 30 IKEBRN CCOC(=O)c1c(C)oc2c1C(=CNc1ccc(C(=O)OCC)cc1)C(=O)c1ccccc1-2 ZINC000100834827 568791392 /nfs/dbraw/zinc/79/13/92/568791392.db2.gz TUZIYLWJFSRREK-ZHZULCJRSA-N 0 0 445.471 5.258 40 30 IKEBRN COc1ccc(Nc2nc(N=NCc3cccc(Cl)c3)nc(Nc3ccccc3)n2)cc1 ZINC000008872845 568793561 /nfs/dbraw/zinc/79/35/61/568793561.db2.gz AOYLKBQNEGLMOO-MFKUBSTISA-N 0 0 445.914 5.467 40 30 IKEBRN Cc1cccc2oc(-c3cccc(/N=C/c4cc5c(cc4Br)OCO5)c3)nc21 ZINC000001435266 568798797 /nfs/dbraw/zinc/79/87/97/568798797.db2.gz RSLLSCWFXRVFTQ-BHGWPJFGSA-N 0 0 435.277 6.045 40 30 IKEBRN O=C(Nc1ccccc1C#CC#Cc1ccccc1NC(=O)c1ccccc1)c1ccccc1 ZINC000003845167 568803516 /nfs/dbraw/zinc/80/35/16/568803516.db2.gz VWVQIHLGEPJOSJ-UHFFFAOYSA-N 0 0 440.502 5.594 40 30 IKEBRN C=CCc1cc(C(=C/C)/C(=C\C)c2ccc(OC(C)=O)c(CC=C)c2)ccc1OC(C)=O ZINC000004806225 568804115 /nfs/dbraw/zinc/80/41/15/568804115.db2.gz JYHPJEHAFFAGBR-UMOSFCNPSA-N 0 0 430.544 6.501 40 30 IKEBRN C=CCSc1nnc2c(n1)O[C@@H](/C=C/c1ccco1)Nc1ccc(Br)cc1-2 ZINC000009601913 568819050 /nfs/dbraw/zinc/81/90/50/568819050.db2.gz YFMJWLZVLZWNCS-BVBGJJFLSA-N 0 0 443.326 5.016 40 30 IKEBRN CCOC(=O)CCCSc1nc(-c2ccc(OCC)cc2)cc(-c2ccccc2)c1C#N ZINC000006090114 568821868 /nfs/dbraw/zinc/82/18/68/568821868.db2.gz KXAQZCVEKPBUAI-UHFFFAOYSA-N 0 0 446.572 6.121 40 30 IKEBRN CCOC(=O)c1ccccc1CSc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N ZINC000006089624 568821966 /nfs/dbraw/zinc/82/19/66/568821966.db2.gz ZRWZGRDTTMXODI-UHFFFAOYSA-N 0 0 448.491 6.170 40 30 IKEBRN C#CCN1C(=O)S/C(=C\c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O ZINC000015012767 568828019 /nfs/dbraw/zinc/82/80/19/568828019.db2.gz HMIZZPZCZKYDCR-HAHDFKILSA-N 0 0 429.497 5.097 40 30 IKEBRN C=CCn1c(SCC(=O)c2ccc(Cl)c(Cl)c2)nc2sc(C)c(C)c2c1=O ZINC000016713317 568830146 /nfs/dbraw/zinc/83/01/46/568830146.db2.gz BAMJBYXGTYAYEZ-UHFFFAOYSA-N 0 0 439.389 5.543 40 30 IKEBRN C=CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Cl)cc1 ZINC000016789275 568830178 /nfs/dbraw/zinc/83/01/78/568830178.db2.gz GZSLEXOKCAOYQE-UHFFFAOYSA-N 0 0 434.348 5.325 40 30 IKEBRN C=CCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1cccc(Cl)c1 ZINC000016789174 568830238 /nfs/dbraw/zinc/83/02/38/568830238.db2.gz DWVGKQDDKPCFPO-UHFFFAOYSA-N 0 0 426.973 5.386 40 30 IKEBRN C=CCn1c(COc2cccc3ccc(C)nc32)nnc1SCC(=O)c1ccc(F)cc1 ZINC000001452065 568833781 /nfs/dbraw/zinc/83/37/81/568833781.db2.gz MNCSPLBOERUDLK-UHFFFAOYSA-N 0 0 448.523 5.014 40 30 IKEBRN Cc1ccc(C)c2c1[C@](O)(C#Cc1ccccc1)c1ccccc1[C@@]2(O)C#Cc1ccccc1 ZINC000001564303 568834177 /nfs/dbraw/zinc/83/41/77/568834177.db2.gz LIJDDZSESNXDAV-ACHIHNKUSA-N 0 0 440.542 5.192 40 30 IKEBRN Clc1cc2c(C#Cc3ccccc3)c3ccccc3c(C#Cc3ccccc3)c2cc1Cl ZINC000002386333 568835173 /nfs/dbraw/zinc/83/51/73/568835173.db2.gz FNXCATDORZAEFA-UHFFFAOYSA-N 0 0 447.364 8.099 40 30 IKEBRN CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=N/c3ccc(N4CCOCC4)cc3)cc2)cc1 ZINC000100073851 568840412 /nfs/dbraw/zinc/84/04/12/568840412.db2.gz VDIPBEGLYOZPDS-ZTKZIYFRSA-N 0 0 442.559 5.791 40 30 IKEBRN COC(=O)CSc1nc(-c2ccc(Cl)cc2)cc(-c2ccc(Cl)cc2)c1C#N ZINC000006136091 568845084 /nfs/dbraw/zinc/84/50/84/568845084.db2.gz VKVJKVSVXVETJW-UHFFFAOYSA-N 0 0 429.328 5.859 40 30 IKEBRN CCCCCCCCCC(=O)O[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C ZINC000584577526 568865795 /nfs/dbraw/zinc/86/57/95/568865795.db2.gz LBERVHLCXUMDOT-LANGJZDMSA-N 0 0 442.684 7.571 40 30 IKEBRN C=C(C)c1cccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(F)cc2)c1 ZINC000032109979 568865973 /nfs/dbraw/zinc/86/59/73/568865973.db2.gz DBXKPKPNOFMEGU-UHFFFAOYSA-N 0 0 438.524 5.001 40 30 IKEBRN Cc1ccccc1OCc1nc(SCc2ccc(Cl)cc2Cl)nc(N)c1C#N ZINC000223683142 568876433 /nfs/dbraw/zinc/87/64/33/568876433.db2.gz QJYDSCDUHPXFHL-UHFFFAOYSA-N 0 0 431.348 5.417 40 30 IKEBRN COc1cccc(OCc2nc(SCc3ccc(Cl)cc3Cl)nc(N)c2C#N)c1 ZINC000223692984 568876514 /nfs/dbraw/zinc/87/65/14/568876514.db2.gz SNALUADAKDCFTF-UHFFFAOYSA-N 0 0 447.347 5.117 40 30 IKEBRN Cc1csc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)c2C#N)n1 ZINC000016363197 568878613 /nfs/dbraw/zinc/87/86/13/568878613.db2.gz KSAGPVNQNBTOEF-UHFFFAOYSA-N 0 0 434.468 5.135 40 30 IKEBRN C=CCSc1ccccc1C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 ZINC000219819940 568884804 /nfs/dbraw/zinc/88/48/04/568884804.db2.gz QDQFMOKJKFTAAN-UHFFFAOYSA-N 0 0 444.354 5.049 40 30 IKEBRN CSCCCN1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S/C1=N\c1cc(C)ccc1C ZINC000102923046 568890537 /nfs/dbraw/zinc/89/05/37/568890537.db2.gz LEPXUNDDOVPBMB-DJOYVXLESA-N 0 0 441.578 5.569 40 30 IKEBRN CC(C)(C)c1ccc(C(=O)/N=C2\c3ccccc3CN2c2cc(Cl)cc(Cl)c2)cc1 ZINC000102934860 568890702 /nfs/dbraw/zinc/89/07/02/568890702.db2.gz IWBZSSOVTIUCHP-WEMUOSSPSA-N 0 0 437.370 6.898 40 30 IKEBRN O=[N+]([O-])c1cc(/C=N/N(Cc2ccccc2)c2ccccc2)ccc1Sc1ncccn1 ZINC000015911538 568894145 /nfs/dbraw/zinc/89/41/45/568894145.db2.gz BPNRHUGORVCAQP-WPWMEQJKSA-N 0 0 441.516 5.577 40 30 IKEBRN C=CCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1cccc(Cl)c1 ZINC000027024759 568894809 /nfs/dbraw/zinc/89/48/09/568894809.db2.gz HNVWAVYFYDHHBJ-LCUIJRPUSA-N 0 0 449.963 6.442 40 30 IKEBRN COc1cc(OC)c(OC)cc1CN=Nc1nc(C)nc2sc(-c3ccccc3)cc21 ZINC000033045716 568896051 /nfs/dbraw/zinc/89/60/51/568896051.db2.gz BIIOIMNEXQSASL-ZMOGYAJESA-N 0 0 434.521 5.139 40 30 IKEBRN CC(=O)NC(=Cc1ccccc1)C(=O)O[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000103732207 568898983 /nfs/dbraw/zinc/89/89/83/568898983.db2.gz FOEGJHLXFMBZKZ-NRGQBJHJSA-N 0 0 449.334 5.960 40 30 IKEBRN CCCCCCCCOc1ccc(CN=Nc2c(Cl)cc(Cl)cc2Cl)cc1 ZINC000097980696 568899784 /nfs/dbraw/zinc/89/97/84/568899784.db2.gz WWKIKNAEGWPEJA-MFKUBSTISA-N 0 0 427.803 7.832 40 30 IKEBRN O=C(/N=C1/N=C2C=CC=CN2Cc2ccccc21)c1cc(-c2ccccc2)nc2ccccc21 ZINC000102945017 568900364 /nfs/dbraw/zinc/90/03/64/568900364.db2.gz OITOCPUTIHNPFX-VEWQFJOQSA-N 0 0 440.506 5.786 40 30 IKEBRN Cc1ccc([N+](=O)[O-])cc1/N=C/c1ccccc1OC(=O)c1ccccc1Br ZINC000102946595 568900375 /nfs/dbraw/zinc/90/03/75/568900375.db2.gz KFGNSYBWPPZZME-YDZHTSKRSA-N 0 0 439.265 5.636 40 30 IKEBRN C=CCc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1C=C1SC(=S)NC1=O ZINC000026641848 568905455 /nfs/dbraw/zinc/90/54/55/568905455.db2.gz FUCVNNBMKSFKFK-UYRXBGFRSA-N 0 0 442.518 5.110 40 30 IKEBRN CCOc1ccc(Br)cc1/C=C/C(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000001782372 568907090 /nfs/dbraw/zinc/90/70/90/568907090.db2.gz RFLFFEMZOSMKBH-JXMROGBWSA-N 0 0 431.355 5.312 40 30 IKEBRN Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)c(C)c1 ZINC000001840480 568916289 /nfs/dbraw/zinc/91/62/89/568916289.db2.gz SQCRRVCVKFHNGC-OAHLLOKOSA-N 0 0 425.623 5.514 40 30 IKEBRN Cc1c(C#N)c2nc3ccccc3n2c(Nc2ccc(F)cc2)c1Cc1ccc(Cl)cc1 ZINC000001869080 568917042 /nfs/dbraw/zinc/91/70/42/568917042.db2.gz HWRWHPDPJOXWFO-UHFFFAOYSA-N 0 0 440.909 6.795 40 30 IKEBRN C=CCSC1=NN2[C@H](c3cccc(Oc4ccccc4)c3)Nc3ccccc3[C@H]2C(=O)N1 ZINC000588229225 568927035 /nfs/dbraw/zinc/92/70/35/568927035.db2.gz NYBKUWCZLAXXFC-XZOQPEGZSA-N 0 0 442.544 5.266 40 30 IKEBRN FC(F)(F)C(F)(F)C(F)(C(F)(F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F ZINC000169795113 569108628 /nfs/dbraw/zinc/10/86/28/569108628.db2.gz BJHXOADCFUOTIA-UHFFFAOYSA-N 0 0 438.052 5.923 40 30 IKEBRN Cc1c(C#N)c2nc3ccccc3n2c(NCc2ccccc2)c1Cc1ccc(Cl)cc1 ZINC000036626329 569125028 /nfs/dbraw/zinc/12/50/28/569125028.db2.gz PJMGRRIBFCMKFC-UHFFFAOYSA-N 0 0 436.946 6.524 40 30 IKEBRN CCOc1ccc(/C=C/c2nc(C#N)c(N3CCN(c4cccc(Cl)c4)CC3)o2)cc1 ZINC000016768479 569161387 /nfs/dbraw/zinc/16/13/87/569161387.db2.gz IJEMDFJIRYIUDX-DHZHZOJOSA-N 0 0 434.927 5.095 40 30 IKEBRN C=CCn1c(-c2ccc(C(C)(C)C)cc2)nn(CC(=O)Nc2ccc(Cl)cc2)c1=S ZINC000016768650 569161508 /nfs/dbraw/zinc/16/15/08/569161508.db2.gz LGQLVLITBSMYIS-UHFFFAOYSA-N 0 0 441.000 5.857 40 30 IKEBRN C=CCn1c(CNc2c(C)cccc2C)nn(CC(=O)N(c2ccccc2)C(C)C)c1=S ZINC000016768733 569161537 /nfs/dbraw/zinc/16/15/37/569161537.db2.gz ODICWSGXKPRRNX-UHFFFAOYSA-N 0 0 449.624 5.271 40 30 IKEBRN C[C@@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)sc2C1 ZINC000017097413 569172365 /nfs/dbraw/zinc/17/23/65/569172365.db2.gz UTMFLUIGKRGURN-LLVKDONJSA-N 0 0 431.344 6.564 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)c2C#N)C1 ZINC000017095757 569172493 /nfs/dbraw/zinc/17/24/93/569172493.db2.gz VIHRHGHBECSGQB-MRVPVSSYSA-N 0 0 428.426 5.719 40 30 IKEBRN CCc1ccc(C(=O)NC(=S)Nc2sc3c(c2C#N)CC[C@@H](C(C)(C)C)C3)cc1 ZINC000017094589 569172511 /nfs/dbraw/zinc/17/25/11/569172511.db2.gz VAEBNLXOLHJRLA-MRXNPFEDSA-N 0 0 425.623 5.460 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2C1 ZINC000017097315 569172624 /nfs/dbraw/zinc/17/26/24/569172624.db2.gz ZDMNJOWJFQHORJ-CQSZACIVSA-N 0 0 431.001 6.220 40 30 IKEBRN Cc1cc(OCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)cc(C)c1Cl ZINC000017097321 569173082 /nfs/dbraw/zinc/17/30/82/569173082.db2.gz NNWZUHOTXBARCV-HNNXBMFYSA-N 0 0 431.001 6.059 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cccc(Cl)c3)sc2C1 ZINC000017097779 569173336 /nfs/dbraw/zinc/17/33/36/569173336.db2.gz JMFJSCDMCNUZKB-ZDUSSCGKSA-N 0 0 432.014 5.551 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2C1 ZINC000017098366 569173431 /nfs/dbraw/zinc/17/34/31/569173431.db2.gz SQNXLBNMMMSKFA-VZUFXWRPSA-N 0 0 433.404 6.729 40 30 IKEBRN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2C1 ZINC000017102958 569173773 /nfs/dbraw/zinc/17/37/73/569173773.db2.gz BXKDYKRYQRDGRQ-HNNXBMFYSA-N 0 0 438.980 6.936 40 30 IKEBRN CC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=S)NC(=O)c3cc4ccccc4o3)sc2C1 ZINC000017101604 569173939 /nfs/dbraw/zinc/17/39/39/569173939.db2.gz PADFLBXZWFDJNL-CQSZACIVSA-N 0 0 437.590 5.644 40 30 IKEBRN CCCN1C(=O)/C(=C\c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N\c1ccccc1 ZINC000017167433 569175167 /nfs/dbraw/zinc/17/51/67/569175167.db2.gz XMTUERJUKQHQAP-UINIZAEWSA-N 0 0 445.588 6.117 40 30 IKEBRN C(=N/N=C/c1nc(-c2ccccc2)n2ccccc12)\c1nc(-c2ccccc2)n2ccccc12 ZINC000012042019 569210641 /nfs/dbraw/zinc/21/06/41/569210641.db2.gz GHUMAIMAGHTHSH-CZYCKNNWSA-N 0 0 440.510 5.769 40 30 IKEBRN COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=S)Nc2ccc(C)cc2)cc1 ZINC000003350031 569211943 /nfs/dbraw/zinc/21/19/43/569211943.db2.gz WYFXXQFMSHBTCY-WGOQTCKBSA-N 0 0 441.560 5.177 40 30 IKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc(C23C[C@@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1 ZINC000027468905 569217555 /nfs/dbraw/zinc/21/75/55/569217555.db2.gz QDRKFOPNKWCRGX-TUKNDEIHSA-N 0 0 442.002 7.586 40 30 IKEBRN Cc1c(C=NNCc2ccccc2Cl)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 ZINC000008812016 569219116 /nfs/dbraw/zinc/21/91/16/569219116.db2.gz WAJJJAIOLNHDJT-JFLMPSFJSA-N 0 0 432.911 5.683 40 30 IKEBRN COc1cc(/C=N/NCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl ZINC000008811867 569219129 /nfs/dbraw/zinc/21/91/29/569219129.db2.gz QFXPKCNMTISZAM-RPPGKUMJSA-N 0 0 449.765 6.358 40 30 IKEBRN CCOc1cc(/C=N/NCc2ccccc2Cl)ccc1OCc1cccc2ccccc21 ZINC000008811401 569219135 /nfs/dbraw/zinc/21/91/35/569219135.db2.gz FBGGQKDYDSBZOQ-STBIYBPSSA-N 0 0 444.962 6.595 40 30 IKEBRN O=[N+]([O-])c1ccc(Oc2ccc(/C=N/NCc3ccc(Cl)cc3)cc2)c([N+](=O)[O-])c1 ZINC000010118703 569221252 /nfs/dbraw/zinc/22/12/52/569221252.db2.gz IAKZEVIUMXVXQH-YDZHTSKRSA-N 0 0 426.816 5.072 40 30 IKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl ZINC000010118765 569221276 /nfs/dbraw/zinc/22/12/76/569221276.db2.gz BSAQZKAJOCNFEG-JFLMPSFJSA-N 0 0 429.347 6.095 40 30 IKEBRN CCOc1cc(/C=N/NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 ZINC000010119093 569221369 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IKEBRN C=CCN(C(=O)c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)c1ccccc1 ZINC000033863176 569247103 /nfs/dbraw/zinc/24/71/03/569247103.db2.gz NDGKEGWNJPKIGH-UHFFFAOYSA-N 0 0 441.494 5.712 40 30 IKEBRN C=CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(Cl)cc1Cl ZINC000034865482 569247840 /nfs/dbraw/zinc/24/78/40/569247840.db2.gz YCGHWTUGSIERMD-UHFFFAOYSA-N 0 0 434.392 6.259 40 30 IKEBRN C=CCn1c(SCc2ccc(C)cc2)nnc1-c1cc2cc(Br)ccc2o1 ZINC000107581111 569250402 /nfs/dbraw/zinc/25/04/02/569250402.db2.gz NRKGDGIYYMQMKP-UHFFFAOYSA-N 0 0 440.366 6.241 40 30 IKEBRN C=CCn1c(CNC(=O)c2ccccc2C)nnc1SCc1ccc(Cl)cc1Cl ZINC000108168888 569252506 /nfs/dbraw/zinc/25/25/06/569252506.db2.gz KLIJGNJGCJHBIJ-UHFFFAOYSA-N 0 0 447.391 5.302 40 30 IKEBRN C=CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 ZINC000108204665 569252688 /nfs/dbraw/zinc/25/26/88/569252688.db2.gz FGVVFKKUMJXJRS-MRXNPFEDSA-N 0 0 426.973 5.209 40 30 IKEBRN CO/N=C(\C)[C@@H]1/C(=N\OC)C[C@@H]2[C@H]3CC[C@H]4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C ZINC000036505411 569257702 /nfs/dbraw/zinc/25/77/02/569257702.db2.gz KLCZPBNZZJGNRW-HIDIMLOCSA-N 0 0 432.605 5.212 40 30 IKEBRN COc1ccc(/C=C2/S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)cc1Cl ZINC000033431396 569261706 /nfs/dbraw/zinc/26/17/06/569261706.db2.gz ANUCNHYMKUTREV-DBSKITMISA-N 0 0 433.017 6.286 40 30 IKEBRN O=C(CO/N=C\c1ccc(OCc2cccc3ccccc32)cc1)Nc1ccc(Cl)cc1 ZINC000033393138 569261748 /nfs/dbraw/zinc/26/17/48/569261748.db2.gz VYHMCXDPWSNCEB-NTFVMDSBSA-N 0 0 444.918 6.061 40 30 IKEBRN O=C(C=CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)c(Cl)c1 ZINC000033413366 569261773 /nfs/dbraw/zinc/26/17/73/569261773.db2.gz QNFKHVZSHRRRCL-ONEGZZNKSA-N 0 0 428.159 6.840 40 30 IKEBRN N#CCn1cc(/C=C2\S/C(=N\C3CCCCC3)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000033770814 569261874 /nfs/dbraw/zinc/26/18/74/569261874.db2.gz WSWYJFNRPPEDKV-NMRWETQTSA-N 0 0 446.620 6.103 40 30 IKEBRN O=C1/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)S/C(=N\C2CCCCC2)N1C1CCCCC1 ZINC000034849058 569262028 /nfs/dbraw/zinc/26/20/28/569262028.db2.gz LLMBMTLUVGYPAQ-DJOYVXLESA-N 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30 IKEBRN Cc1cccc2oc(-c3ccc(C)c(/N=C/c4c(O)ccc5c4cccc5[N+](=O)[O-])c3)nc21 ZINC000003044385 569438585 /nfs/dbraw/zinc/43/85/85/569438585.db2.gz CXGPYCOSRNAIBI-MZJWZYIUSA-N 0 0 437.455 6.629 40 30 IKEBRN Oc1ccc(Cl)cc1/C=N/c1ccc2oc(-c3cccc(Br)c3)nc2c1 ZINC000003059656 569439463 /nfs/dbraw/zinc/43/94/63/569439463.db2.gz LONARJDURUBTEJ-FOKLQQMPSA-N 0 0 427.685 6.367 40 30 IKEBRN Cc1ccc2nc(-c3ccc(C)c(/N=C/c4c(O)ccc5cc([N+](=O)[O-])ccc54)c3)oc2c1 ZINC000003068538 569439756 /nfs/dbraw/zinc/43/97/56/569439756.db2.gz HAXKKGPHPMVUFD-MZJWZYIUSA-N 0 0 437.455 6.629 40 30 IKEBRN CC(=O)Oc1c(Br)cc(/C=N/c2cccc3ccccc32)cc1Br ZINC000003079998 569439848 /nfs/dbraw/zinc/43/98/48/569439848.db2.gz JCKZSWACUXIVRU-SSDVNMTOSA-N 0 0 447.126 6.041 40 30 IKEBRN Cc1ccc(-c2nc3cc(/N=C/c4ccc(Br)c([N+](=O)[O-])c4)ccc3o2)cc1 ZINC000003084709 569439907 /nfs/dbraw/zinc/43/99/07/569439907.db2.gz DOAIZHZYJVBXGL-FSJBWODESA-N 0 0 436.265 6.225 40 30 IKEBRN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccccc1OC(C)C ZINC000003094385 569440096 /nfs/dbraw/zinc/44/00/96/569440096.db2.gz RHGHZHMOYQBWSC-QHCPKHFHSA-N 0 0 425.569 5.421 40 30 IKEBRN O=[N+]([O-])c1ccc(/C=C/C=N/c2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 ZINC000003150260 569440881 /nfs/dbraw/zinc/44/08/81/569440881.db2.gz WYGMAXIDSOKEPI-JRXOJCEHSA-N 0 0 448.276 6.581 40 30 IKEBRN CCOC(=O)c1ccc(NC(=O)c2ccc(/N=C/c3c(O)ccc4ccccc43)cc2)cc1 ZINC000003146899 569440920 /nfs/dbraw/zinc/44/09/20/569440920.db2.gz MDYXCDXEBPOVKY-OGLMXYFKSA-N 0 0 438.483 5.725 40 30 IKEBRN Brc1cccc(-c2ccc(/C=N/c3ccc4oc(-c5ccccc5)nc4c3)o2)c1 ZINC000003211265 569441716 /nfs/dbraw/zinc/44/17/16/569441716.db2.gz HXEDMFBBAYGINC-CVKSISIWSA-N 0 0 443.300 7.268 40 30 IKEBRN Cc1c(C=O)c2ccccc2n1CC(=O)Nc1sc2c(c1C#N)CC[C@@H](C(C)(C)C)C2 ZINC000032124814 569460327 /nfs/dbraw/zinc/46/03/27/569460327.db2.gz RMVPGKICTKBHSA-MRXNPFEDSA-N 0 0 433.577 5.485 40 30 IKEBRN N#Cc1c(NC(=S)NC(=O)C=Cc2ccc(-c3ccccc3)o2)sc2c1CCCC2 ZINC000059294164 569460869 /nfs/dbraw/zinc/46/08/69/569460869.db2.gz KCHUWLYSELXPTJ-ACCUITESSA-N 0 0 433.558 5.285 40 30 IKEBRN N#Cc1ccc(C23CC4CC(CC(C4)C2)C3)nc1SCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000008742271 569472932 /nfs/dbraw/zinc/47/29/32/569472932.db2.gz VWTPKLGJWDYOLU-UHFFFAOYSA-N 0 0 448.548 5.060 40 30 IKEBRN C[C@H]1C/C(=C\c2cccc(Br)c2)C(=O)/C(=C\c2cccc(Br)c2)C1 ZINC000245266881 569501854 /nfs/dbraw/zinc/50/18/54/569501854.db2.gz KMSIGDDMAIEECU-RQDKYUEZSA-N 0 0 446.182 6.678 40 30 IKEBRN C=CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccccc1 ZINC000009446967 569536019 /nfs/dbraw/zinc/53/60/19/569536019.db2.gz SEWKQVRGQXLBDH-HSZRJFAPSA-N 0 0 440.572 5.912 40 30 IKEBRN Cc1cc2nc(N=NC(C)C)sc2c(C)c1NC(=O)COc1ccc(Cl)cc1C ZINC000072228839 569583031 /nfs/dbraw/zinc/58/30/31/569583031.db2.gz MCQJPHTVNUOHPY-UHFFFAOYSA-N 0 0 430.961 5.700 40 30 IKEBRN O=[N+]([O-])c1ccc(-c2sc(N=NCc3cccc([N+](=O)[O-])c3)nc2-c2ccccc2)cc1 ZINC000059484258 569584193 /nfs/dbraw/zinc/58/41/93/569584193.db2.gz XDTMRMYBDJGABN-OEAKJJBVSA-N 0 0 445.460 5.740 40 30 IKEBRN COc1ccc(C(=O)Oc2ccc(CN=Nc3nc(-c4ccccc4)c(C)s3)cc2)cc1 ZINC000059193855 569584483 /nfs/dbraw/zinc/58/44/83/569584483.db2.gz YDLARVMLJJTIHA-WGOQTCKBSA-N 0 0 443.528 5.792 40 30 IKEBRN Cc1sc(N=NCc2ccc(OC(=O)c3ccccc3C)cc2)nc1-c1ccccc1 ZINC000059193843 569585044 /nfs/dbraw/zinc/58/50/44/569585044.db2.gz OMEZLVLJCLVUBW-WGOQTCKBSA-N 0 0 427.529 6.092 40 30 IKEBRN Cc1sc(N=NCc2ccc(OC(=O)c3ccc(Cl)cc3)cc2)nc1-c1ccccc1 ZINC000059193872 569585095 /nfs/dbraw/zinc/58/50/95/569585095.db2.gz HFHARDMEQPIBSV-CVKSISIWSA-N 0 0 447.947 6.437 40 30 IKEBRN CCOc1cc(-c2c(C#N)c(N)ncc2-c2ccccc2)ccc1OCc1ccccc1C#N ZINC000408977961 569585121 /nfs/dbraw/zinc/58/51/21/569585121.db2.gz GJOCOQXRDZRLOC-UHFFFAOYSA-N 0 0 446.510 5.719 40 30 IKEBRN COc1ccc(OC)c(COc2ccc(-c3c(C#N)c(N)ncc3-c3ccccc3)cc2)c1 ZINC000408979254 569585129 /nfs/dbraw/zinc/58/51/29/569585129.db2.gz LTNKBICWWWFKNN-UHFFFAOYSA-N 0 0 437.499 5.466 40 30 IKEBRN Cc1nc(N)c(C#N)c(-c2cn(Cc3ccccc3C#N)c3ccccc23)c1-c1ccccc1 ZINC000408981716 569585181 /nfs/dbraw/zinc/58/51/81/569585181.db2.gz WGVDGWZNUBJZTQ-UHFFFAOYSA-N 0 0 439.522 6.053 40 30 IKEBRN C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]2[C@H]1C ZINC000257633909 571860545 /nfs/dbraw/zinc/86/05/45/571860545.db2.gz XWMMEBCFHUKHEX-IKEKUZPUSA-N 0 0 426.729 8.025 40 30 endogenous,in-man IKEBRN