smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1OC ZINC000059135821 195390725 /nfs/dbraw/zinc/39/07/25/195390725.db2.gz FYDUDOGCAYNHLH-XFFZJAGNSA-N 0 1 465.300 4.277 40 10 JICBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1 ZINC000059248219 195395848 /nfs/dbraw/zinc/39/58/48/195395848.db2.gz GJINCXZKNLBLRS-LFIBNONCSA-N 0 1 474.380 4.036 40 10 JICBMN O=C1NC(=O)N(C2CCCCC2)C(=O)/C1=C\c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000009259573 527048785 /nfs/dbraw/zinc/04/87/85/527048785.db2.gz OCXBGHNELHAQDE-HMAPJEAMSA-N 0 1 472.501 4.392 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)cc(Br)c1OCC ZINC000009260071 555034505 /nfs/dbraw/zinc/03/45/05/555034505.db2.gz HPYZIPUNYWWIEG-GDNBJRDFSA-N 0 1 465.344 4.041 40 10 JICBMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000009295814 555072099 /nfs/dbraw/zinc/07/20/99/555072099.db2.gz RCGIXOKDHBTGFA-MHWRWJLKSA-N 0 1 489.391 4.386 40 10 JICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000015013387 555855093 /nfs/dbraw/zinc/85/50/93/555855093.db2.gz DZDZQAMKAQDRPD-WQLSENKSSA-N 0 1 465.756 4.251 40 10 JICBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000033647922 569629573 /nfs/dbraw/zinc/62/95/73/569629573.db2.gz OJYOUGDWNFUOTA-UDWIEESQSA-N 0 1 479.876 4.297 40 10 JICBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1C ZINC000033871431 569636695 /nfs/dbraw/zinc/63/66/95/569636695.db2.gz IVSTWMMZTRGVHD-MOSHPQCFSA-N 0 1 491.931 4.136 40 10 JICBMN CN1C[C@@H](c2cccs2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12c1ccccc1N(C)C2=O ZINC000102774069 569823532 /nfs/dbraw/zinc/82/35/32/569823532.db2.gz DUBALWYGBWSREQ-PKKBDPGCSA-N 0 1 495.651 4.041 40 10 JICBMN COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C ZINC000408606196 569971146 /nfs/dbraw/zinc/97/11/46/569971146.db2.gz OCLNUNHBZIOVFN-UHFFFAOYSA-N 0 1 486.977 4.056 40 10 JICBMN CCOc1cccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc([N+](=O)[O-])cc4)c3C)C(=O)NC2=S)c1 ZINC000408742634 570032725 /nfs/dbraw/zinc/03/27/25/570032725.db2.gz XCFVUNPGKBFHDB-XKZIYDEJSA-N 0 1 490.541 4.232 40 10 JICBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OC)c(OCc4ccccc4)c3)C(=O)NC2=S)cc1 ZINC000408757919 570036108 /nfs/dbraw/zinc/03/61/08/570036108.db2.gz DTIBNYQTYBEQSD-STZFKDTASA-N 0 1 474.538 4.114 40 10 JICBMN CCc1ccccc1N1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C(=O)NC1=S ZINC000408781337 570041701 /nfs/dbraw/zinc/04/17/01/570041701.db2.gz CJEBHCPMJQVFFX-CPNJWEJPSA-N 0 1 474.498 4.176 40 10 JICBMN CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c2c1 ZINC000408782071 570041839 /nfs/dbraw/zinc/04/18/39/570041839.db2.gz GYUUQMGVGDFDGO-PXLXIMEGSA-N 0 1 476.554 4.477 40 10 JICBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC(C)C ZINC000408881280 570063013 /nfs/dbraw/zinc/06/30/13/570063013.db2.gz ITLGDLFHXFLKMB-DHDCSXOGSA-N 0 1 475.364 4.076 40 10 JICBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)c1C ZINC000408964718 570087071 /nfs/dbraw/zinc/08/70/71/570087071.db2.gz DFILTWDOXRQZKE-PXLXIMEGSA-N 0 1 459.571 4.496 40 10 JICBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c1 ZINC000408968789 570088350 /nfs/dbraw/zinc/08/83/50/570088350.db2.gz ZDLASLRUKSSHQZ-PXLXIMEGSA-N 0 1 487.581 4.411 40 10 JICBMN Cc1nnc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)cc2[N+](=O)[O-])s1 ZINC000408987435 570092826 /nfs/dbraw/zinc/09/28/26/570092826.db2.gz BAHJLPBBKBLFJR-OQLLNIDSSA-N 0 1 497.583 4.046 40 10 JICBMN Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)NC1=S ZINC000409011801 570099767 /nfs/dbraw/zinc/09/97/67/570099767.db2.gz IQGKGWJLIABHAJ-QGOAFFKASA-N 0 1 466.360 4.380 40 10 JICBMN COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)cc4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409070406 570118072 /nfs/dbraw/zinc/11/80/72/570118072.db2.gz GDJQWFGDLBFSOV-BKUYFWCQSA-N 0 1 475.570 4.251 40 10 JICBMN O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C(=O)N1 ZINC000409077970 570120742 /nfs/dbraw/zinc/12/07/42/570120742.db2.gz GWLKDRJQVHFLIF-UHFFFAOYSA-N 0 1 490.177 4.462 40 10 JICBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1OC ZINC000409103338 570129199 /nfs/dbraw/zinc/12/91/99/570129199.db2.gz YBQKVYZICJRTOJ-GHXNOFRVSA-N 0 1 495.782 4.259 40 10 JICBMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)s2)cc1 ZINC000260798403 570158421 /nfs/dbraw/zinc/15/84/21/570158421.db2.gz SPSOHTVUGLXCPX-ZWKOTPCHSA-N 0 1 499.662 4.375 40 10 JICBMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)s2)c1 ZINC000260805440 570158731 /nfs/dbraw/zinc/15/87/31/570158731.db2.gz CZSSFBLXEARASF-ZWKOTPCHSA-N 0 1 499.662 4.375 40 10 JICBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2)C1=O ZINC000409220907 570174284 /nfs/dbraw/zinc/17/42/84/570174284.db2.gz HOHQCANYDWURJB-XDHOZWIPSA-N 0 1 455.967 4.170 40 10 JICBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)o2)cc1 ZINC000409231377 570177968 /nfs/dbraw/zinc/17/79/68/570177968.db2.gz CPPBYKMXMCVWEI-XMHGGMMESA-N 0 1 460.511 4.263 40 10 JICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1Br ZINC000409239038 570181006 /nfs/dbraw/zinc/18/10/06/570181006.db2.gz FORWLAUASRRSGA-FMIVXFBMSA-N 0 1 465.756 4.333 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Br)c1OC ZINC000409239755 570181452 /nfs/dbraw/zinc/18/14/52/570181452.db2.gz QCUKYFZJXSKXNR-XYOKQWHBSA-N 0 1 495.782 4.341 40 10 JICBMN O=C(COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccccc1Cl ZINC000409253716 570186480 /nfs/dbraw/zinc/18/64/80/570186480.db2.gz YCXKVNAYNLOXCP-JXAWBTAJSA-N 0 1 491.956 4.189 40 10 JICBMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)o1 ZINC000409329492 570203428 /nfs/dbraw/zinc/20/34/28/570203428.db2.gz GOELMTXNZVIDAK-LICLKQGHSA-N 0 1 487.540 4.471 40 10 JICBMN O=C(NN1C(=O)/C(=C\c2cccn2Cc2ccccc2[N+](=O)[O-])SC1=S)c1cccs1 ZINC000409330738 570204088 /nfs/dbraw/zinc/20/40/88/570204088.db2.gz MCVRTJSOFDULML-GZTJUZNOSA-N 0 1 470.557 4.052 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000013471362 555402537 /nfs/dbraw/zinc/40/25/37/555402537.db2.gz WCBABGNVUUTKMZ-ODLFYWEKSA-N 0 1 482.334 4.420 40 10 JICBMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)o1 ZINC000013546655 555489988 /nfs/dbraw/zinc/48/99/88/555489988.db2.gz MRTJLOWUVOCLGU-UNOMPAQXSA-N 0 1 477.498 4.312 40 10 JICBMN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NN(c4ccccc4)C3=O)cc2Cl)cc1 ZINC000035212138 569678282 /nfs/dbraw/zinc/67/82/82/569678282.db2.gz LGHCZRFYGKLOSI-MOSHPQCFSA-N 0 1 461.905 4.127 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1O[C@H](C)CC ZINC000107722679 569857182 /nfs/dbraw/zinc/85/71/82/569857182.db2.gz IYPUYOFHHQMPFT-RQNDZEIBSA-N 0 1 459.340 4.487 40 10 JICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc(Br)cc1 ZINC000108135112 569858815 /nfs/dbraw/zinc/85/88/15/569858815.db2.gz AVMJSNNLWHNKQZ-MOSHPQCFSA-N 0 1 494.301 4.398 40 10 JICBMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)s2)cc1 ZINC000223602111 569917483 /nfs/dbraw/zinc/91/74/83/569917483.db2.gz UHDGHTCJQBZWCP-SFHVURJKSA-N 0 1 499.662 4.375 40 10 JICBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cccc(Br)c2)C(=O)NC1=S ZINC000408740633 570032026 /nfs/dbraw/zinc/03/20/26/570032026.db2.gz HRSCZWCAEUNILT-NTEUORMPSA-N 0 1 480.181 4.351 40 10 JICBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(OCC)c4)C3=O)o2)cc1 ZINC000408743617 570033016 /nfs/dbraw/zinc/03/30/16/570033016.db2.gz WIHQNQANMHLCNQ-RCCKNPSSSA-N 0 1 490.537 4.353 40 10 JICBMN O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N1 ZINC000408896829 570067359 /nfs/dbraw/zinc/06/73/59/570067359.db2.gz TZNNXCLJTZKSIH-UHFFFAOYSA-N 0 1 470.106 4.084 40 10 JICBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408917099 570075633 /nfs/dbraw/zinc/07/56/33/570075633.db2.gz MMSZZMOMOZENIA-BKUYFWCQSA-N 0 1 477.473 4.144 40 10 JICBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1OCC ZINC000409021790 570103298 /nfs/dbraw/zinc/10/32/98/570103298.db2.gz YOUFJHDBEPFARF-OVCLIPMQSA-N 0 1 493.354 4.217 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(Br)cc1OC ZINC000409131906 570140497 /nfs/dbraw/zinc/14/04/97/570140497.db2.gz ZBXYIDGMXLCQQG-OQLLNIDSSA-N 0 1 489.391 4.305 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)NC1=S ZINC000409169313 570154313 /nfs/dbraw/zinc/15/43/13/570154313.db2.gz XCSSGBUTPZDMHL-RVDMUPIBSA-N 0 1 483.889 4.348 40 10 JICBMN COC(=O)c1c2c(sc1-n1c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c1C)CCCC2 ZINC000409201053 570165401 /nfs/dbraw/zinc/16/54/01/570165401.db2.gz NJENZKYGMHOMJN-UYRXBGFRSA-N 0 1 495.601 4.225 40 10 JICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1cn(CCOc2ccc(F)cc2)c2ccccc12 ZINC000409205857 570167111 /nfs/dbraw/zinc/16/71/11/570167111.db2.gz PMAOETGAZIIBPD-JCMHNJIXSA-N 0 1 461.493 4.264 40 10 JICBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)o2)c(C)c1 ZINC000409232717 570178463 /nfs/dbraw/zinc/17/84/63/570178463.db2.gz OZGWMQFJFVXBLJ-DEDYPNTBSA-N 0 1 474.538 4.490 40 10 JICBMN COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409234474 570179212 /nfs/dbraw/zinc/17/92/12/570179212.db2.gz XAJFMFZYYSHCCK-AWNIVKPZSA-N 0 1 451.331 4.150 40 10 JICBMN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cc(C)ccc2C)C1=O ZINC000409237645 570180522 /nfs/dbraw/zinc/18/05/22/570180522.db2.gz ATYIBKHQEHUQEE-LFIBNONCSA-N 0 1 459.365 4.296 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc(Cl)c1OC ZINC000409240237 570181643 /nfs/dbraw/zinc/18/16/43/570181643.db2.gz KEIWBRGMARRNIB-AWNIVKPZSA-N 0 1 470.856 4.207 40 10 JICBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Cl)cc2)C1=O ZINC000409249148 570185345 /nfs/dbraw/zinc/18/53/45/570185345.db2.gz JQNHGPYCMCUDIQ-CPNJWEJPSA-N 0 1 455.967 4.170 40 10 JICBMN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)o1 ZINC000409251702 570185926 /nfs/dbraw/zinc/18/59/26/570185926.db2.gz VTVAOIVUYUZGEU-CPNJWEJPSA-N 0 1 460.511 4.181 40 10 JICBMN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)c2)c(C)c1 ZINC000409273432 570189544 /nfs/dbraw/zinc/18/95/44/570189544.db2.gz XZFDWMYDTRINDA-JCMHNJIXSA-N 0 1 485.565 4.152 40 10 JICBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 ZINC000059302764 195397196 /nfs/dbraw/zinc/39/71/96/195397196.db2.gz QVLUBUQWBQJJQL-NTEUORMPSA-N 0 1 480.771 4.127 40 10 JICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1cccc([N+](=O)[O-])c1 ZINC000033709629 569631333 /nfs/dbraw/zinc/63/13/33/569631333.db2.gz MLUSHUSGDHMHQW-HAHDFKILSA-N 0 1 485.496 4.372 40 10 JICBMN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000107702744 569857114 /nfs/dbraw/zinc/85/71/14/569857114.db2.gz FEHMYTJGQVDSMR-VGSSETLESA-N 0 1 474.966 4.366 40 10 JICBMN CCOC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c1C ZINC000408692467 570015448 /nfs/dbraw/zinc/01/54/48/570015448.db2.gz NBVIEGPSFGTFNO-XDHOZWIPSA-N 0 1 483.590 4.354 40 10 JICBMN CC[C@@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000408694215 570016795 /nfs/dbraw/zinc/01/67/95/570016795.db2.gz GAMVJMDALDBHJD-KMHUVPDISA-N 0 1 465.344 4.039 40 10 JICBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1cccc2ccccc21 ZINC000408734761 570030019 /nfs/dbraw/zinc/03/00/19/570030019.db2.gz DERRHWBSRMECKN-UHFFFAOYSA-N 0 1 495.329 4.329 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408740432 570031903 /nfs/dbraw/zinc/03/19/03/570031903.db2.gz KORGMDGPYSMRCW-HZHRSRAPSA-N 0 1 458.587 4.300 40 10 JICBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C(=O)NC2=S)cc1 ZINC000408755908 570035566 /nfs/dbraw/zinc/03/55/66/570035566.db2.gz PVRGJFPGHFJRKL-BOPFTXTBSA-N 0 1 483.889 4.348 40 10 JICBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c2C)cc1 ZINC000408765523 570037768 /nfs/dbraw/zinc/03/77/68/570037768.db2.gz YDYATDGHLXHGNQ-HZHRSRAPSA-N 0 1 459.571 4.496 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1cccnc1 ZINC000408778923 570040921 /nfs/dbraw/zinc/04/09/21/570040921.db2.gz MWRANNYPQGLWSD-YBFXNURJSA-N 0 1 495.402 4.391 40 10 JICBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408916541 570075538 /nfs/dbraw/zinc/07/55/38/570075538.db2.gz DYPPCIHWINRFIG-BKUYFWCQSA-N 0 1 477.473 4.144 40 10 JICBMN CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408953987 570084614 /nfs/dbraw/zinc/08/46/14/570084614.db2.gz RGENVPGJHKLCLT-XSFVSMFZSA-N 0 1 495.402 4.137 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000408966395 570087611 /nfs/dbraw/zinc/08/76/11/570087611.db2.gz MNVARAQNGGRXPR-VCHYOVAHSA-N 0 1 469.925 4.424 40 10 JICBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3c(OC)ccc4ccccc43)C2=O)cc1OC ZINC000409132310 570140801 /nfs/dbraw/zinc/14/08/01/570140801.db2.gz XHAPDKCEHNZUSH-RCCKNPSSSA-N 0 1 474.513 4.308 40 10 JICBMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)s1 ZINC000260761194 570156891 /nfs/dbraw/zinc/15/68/91/570156891.db2.gz FWFLUYMEGSPYCA-FUHWJXTLSA-N 0 1 499.662 4.375 40 10 JICBMN CCCOc1ccccc1/C=C1\C(=O)NC(=O)N(Cc2ccc(OCCC)c(OCC)c2)C1=O ZINC000409191489 570162118 /nfs/dbraw/zinc/16/21/18/570162118.db2.gz XEYRHQIGUFDVII-CAPFRKAQSA-N 0 1 466.534 4.325 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409206007 570167212 /nfs/dbraw/zinc/16/72/12/570167212.db2.gz GRQHINITKZRCGC-UWNXQOIWSA-N 0 1 478.401 4.422 40 10 JICBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000409228708 570176757 /nfs/dbraw/zinc/17/67/57/570176757.db2.gz CXUUQRPUSNIOSK-KAMYIIQDSA-N 0 1 453.863 4.340 40 10 JICBMN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c([N+](=O)[O-])c1 ZINC000409236045 570179738 /nfs/dbraw/zinc/17/97/38/570179738.db2.gz RIEICMQUYINUIL-XDHOZWIPSA-N 0 1 490.541 4.151 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409235936 570179792 /nfs/dbraw/zinc/17/97/92/570179792.db2.gz DHZWARJMNWIYMD-PDGQHHTCSA-N 0 1 480.933 4.487 40 10 JICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1cccc([N+](=O)[O-])c1 ZINC000409236886 570180079 /nfs/dbraw/zinc/18/00/79/570180079.db2.gz HVDNJYQILIMUQU-LDADJPATSA-N 0 1 486.431 4.236 40 10 JICBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OCC ZINC000409242230 570182440 /nfs/dbraw/zinc/18/24/40/570182440.db2.gz VVZVVTSIEVWFHK-XNTDXEJSSA-N 0 1 489.391 4.386 40 10 JICBMN O=C(COc1ccccc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000409266288 570188495 /nfs/dbraw/zinc/18/84/95/570188495.db2.gz XOFKCYYZPXSSPO-ZHZULCJRSA-N 0 1 491.956 4.189 40 10 JICBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc(Br)c1OC ZINC000033319819 521959527 /nfs/dbraw/zinc/95/95/27/521959527.db2.gz MEIQLTGPUUJBJJ-ZSOIEALJSA-N 0 1 461.337 4.446 40 10 JICBMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)N1CCCCC1 ZINC000059109543 569602379 /nfs/dbraw/zinc/60/23/79/569602379.db2.gz WEUXSOYGKDLPNV-RCCKNPSSSA-N 0 1 462.550 4.289 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)NC2=S)c(OC)c1 ZINC000059595887 569606999 /nfs/dbraw/zinc/60/69/99/569606999.db2.gz FARNKMYCTVCXBQ-GZTJUZNOSA-N 0 1 468.918 4.449 40 10 JICBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(Oc2ccccc2)nc1 ZINC000106358954 569854079 /nfs/dbraw/zinc/85/40/79/569854079.db2.gz NPGCLCPKKJTXBH-VBKFSLOCSA-N 0 1 468.897 4.410 40 10 JICBMN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc1OC ZINC000107702751 569857126 /nfs/dbraw/zinc/85/71/26/569857126.db2.gz FEHMYTJGQVDSMR-VZWMTCDZSA-N 0 1 474.966 4.366 40 10 JICBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1F ZINC000108118970 569858695 /nfs/dbraw/zinc/85/86/95/569858695.db2.gz PJILEYLMNYPESY-WOJGMQOQSA-N 0 1 499.292 4.422 40 10 JICBMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)s2)c1 ZINC000223200352 569903179 /nfs/dbraw/zinc/90/31/79/569903179.db2.gz CZSSFBLXEARASF-QZTJIDSGSA-N 0 1 499.662 4.375 40 10 JICBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OCc2ccc(F)cc2)c1 ZINC000408917151 570075731 /nfs/dbraw/zinc/07/57/31/570075731.db2.gz NWIHJRMQVVBMJP-BKUYFWCQSA-N 0 1 450.466 4.375 40 10 JICBMN CC(C)Oc1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000408917385 570075764 /nfs/dbraw/zinc/07/57/64/570075764.db2.gz SLQZTHRTABZYAZ-DHDCSXOGSA-N 0 1 463.328 4.207 40 10 JICBMN CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1 ZINC000408955421 570084846 /nfs/dbraw/zinc/08/48/46/570084846.db2.gz XDPNPXYOXTUYJJ-XSFVSMFZSA-N 0 1 450.951 4.028 40 10 JICBMN Cc1cccc(N2C(=O)/C(=C\c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C(=O)NC2=S)c1 ZINC000408988454 570093256 /nfs/dbraw/zinc/09/32/56/570093256.db2.gz DMWPTZDYPGWMTA-SFQUDFHCSA-N 0 1 476.539 4.281 40 10 JICBMN COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000409095576 570126514 /nfs/dbraw/zinc/12/65/14/570126514.db2.gz IISRLLNYWNJAJV-KPKJPENVSA-N 0 1 451.331 4.150 40 10 JICBMN COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c1OC ZINC000409107464 570130840 /nfs/dbraw/zinc/13/08/40/570130840.db2.gz VSNXMHRWEMPLKF-MDWZMJQESA-N 0 1 495.782 4.259 40 10 JICBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409221013 570174321 /nfs/dbraw/zinc/17/43/21/570174321.db2.gz JGZGMIDEQJIQIF-XDHOZWIPSA-N 0 1 469.994 4.479 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1Cl ZINC000409232100 570178132 /nfs/dbraw/zinc/17/81/32/570178132.db2.gz OAFBYBQCULWVKC-WOJGMQOQSA-N 0 1 466.906 4.179 40 10 JICBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1 ZINC000409239109 570181134 /nfs/dbraw/zinc/18/11/34/570181134.db2.gz BXMATUDQMKOSMJ-XDHOZWIPSA-N 0 1 451.935 4.279 40 10 JICBMN COc1cccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1OC(C)C ZINC000409240989 570181846 /nfs/dbraw/zinc/18/18/46/570181846.db2.gz VZQZQZCJOIKAEC-MHWRWJLKSA-N 0 1 464.465 4.333 40 10 JICBMN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409246246 570184280 /nfs/dbraw/zinc/18/42/80/570184280.db2.gz GZBDKMBHRNNDEE-DEDYPNTBSA-N 0 1 479.602 4.259 40 10 JICBMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 ZINC000409247254 570184677 /nfs/dbraw/zinc/18/46/77/570184677.db2.gz CUJPXJLHKZJAHA-RVDMUPIBSA-N 0 1 483.889 4.348 40 10 JICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br ZINC000409252330 570186057 /nfs/dbraw/zinc/18/60/57/570186057.db2.gz XIBNAUOHYUSQSN-MHWRWJLKSA-N 0 1 459.365 4.412 40 10 JICBMN Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(C)c1 ZINC000409269644 570189033 /nfs/dbraw/zinc/18/90/33/570189033.db2.gz LBRMCDHEWWAJSF-QNGOZBTKSA-N 0 1 485.565 4.152 40 10 JICBMN CCOC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1OC ZINC000059136123 195390940 /nfs/dbraw/zinc/39/09/40/195390940.db2.gz UYEITJZPJQPMFL-MDWZMJQESA-N 0 1 492.912 4.101 40 10 JICBMN COC(=O)COc1c(Cl)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Cl ZINC000059136058 195391140 /nfs/dbraw/zinc/39/11/40/195391140.db2.gz BIJUHPAFXOKYAU-IZZDOVSWSA-N 0 1 483.304 4.356 40 10 JICBMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)NCc1ccccc1 ZINC000008816241 554698105 /nfs/dbraw/zinc/69/81/05/554698105.db2.gz JCDGWXFVTONOKW-BUVRLJJBSA-N 0 1 492.535 4.460 40 10 JICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Br)c1 ZINC000033467162 569626641 /nfs/dbraw/zinc/62/66/41/569626641.db2.gz POOHRNYJLKJARU-UNOMPAQXSA-N 0 1 494.301 4.398 40 10 JICBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc([N+](=O)[O-])c1 ZINC000033667862 569630454 /nfs/dbraw/zinc/63/04/54/569630454.db2.gz PZHSPRJLUQLXFC-NDENLUEZSA-N 0 1 479.876 4.297 40 10 JICBMN COc1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCCOc1ccccc1 ZINC000033775876 569634303 /nfs/dbraw/zinc/63/43/03/569634303.db2.gz CNXJMBIHVUYJAH-XSFVSMFZSA-N 0 1 462.458 4.248 40 10 JICBMN COc1cc(Br)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1 ZINC000035107696 569674971 /nfs/dbraw/zinc/67/49/71/569674971.db2.gz UPSQLJGNQAEZJH-MOSHPQCFSA-N 0 1 479.330 4.498 40 10 JICBMN COc1cc(Br)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccccc1 ZINC000035107701 569675005 /nfs/dbraw/zinc/67/50/05/569675005.db2.gz UPSQLJGNQAEZJH-DEDYPNTBSA-N 0 1 479.330 4.498 40 10 JICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1Cl ZINC000107833398 569857622 /nfs/dbraw/zinc/85/76/22/569857622.db2.gz ORVCOCRYZBHBCW-UNOMPAQXSA-N 0 1 464.905 4.398 40 10 JICBMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)s1 ZINC000224711590 569954458 /nfs/dbraw/zinc/95/44/58/569954458.db2.gz JJFGFMNUTWQZPF-KRWDZBQOSA-N 0 1 485.635 4.129 40 10 JICBMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)s1 ZINC000225226234 569983959 /nfs/dbraw/zinc/98/39/59/569983959.db2.gz HWZJWGAZXMOYPG-SFHVURJKSA-N 0 1 499.662 4.375 40 10 JICBMN CN1CCN(c2ccc(CNC(=S)Nc3ccc(Br)c(Cl)c3)cc2)CC1 ZINC000225776635 570021045 /nfs/dbraw/zinc/02/10/45/570021045.db2.gz CEVXZYOQSFOZFL-UHFFFAOYSA-N 0 1 453.837 4.341 40 10 JICBMN CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)cc1OC ZINC000408723005 570027426 /nfs/dbraw/zinc/02/74/26/570027426.db2.gz PLPPEPIHPMQWQY-VGOFMYFVSA-N 0 1 495.782 4.341 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(OC)c1 ZINC000408740352 570031920 /nfs/dbraw/zinc/03/19/20/570031920.db2.gz FTEZHPFKDDEPBR-WOJGMQOQSA-N 0 1 488.407 4.135 40 10 JICBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1cccc(Br)c1 ZINC000408742855 570032727 /nfs/dbraw/zinc/03/27/27/570032727.db2.gz SZWOYZNTNWAYGN-RIYZIHGNSA-N 0 1 466.154 4.043 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)c2C)cc1 ZINC000408744266 570033074 /nfs/dbraw/zinc/03/30/74/570033074.db2.gz XOXQFNCBZCRPCU-CIAFOILYSA-N 0 1 493.972 4.365 40 10 JICBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4cccc(Cl)c4)cc3)C(=O)NC2=S)cc1 ZINC000408756151 570035529 /nfs/dbraw/zinc/03/55/29/570035529.db2.gz UEJJGIGKOPRBDO-BKUYFWCQSA-N 0 1 492.940 4.399 40 10 JICBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408854677 570056272 /nfs/dbraw/zinc/05/62/72/570056272.db2.gz BEDRHOPGCXINRT-RMKNXTFCSA-N 0 1 456.694 4.386 40 10 JICBMN COc1cc(Cl)cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c1O ZINC000408855922 570056524 /nfs/dbraw/zinc/05/65/24/570056524.db2.gz HGWWILJJBOHODG-UXBLZVDNSA-N 0 1 457.722 4.192 40 10 JICBMN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)o1 ZINC000409009628 570099092 /nfs/dbraw/zinc/09/90/92/570099092.db2.gz HBCPZJXDNBKVGM-DEDYPNTBSA-N 0 1 460.511 4.181 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c4ccccc34)C(=O)NC2=S)c(OC)c1 ZINC000409068466 570117321 /nfs/dbraw/zinc/11/73/21/570117321.db2.gz ARHJAMRBGROZKL-RCCKNPSSSA-N 0 1 487.581 4.289 40 10 JICBMN CCOc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1C(C)C ZINC000409109005 570131320 /nfs/dbraw/zinc/13/13/20/570131320.db2.gz ZKFARJLOFZGOQA-XDHOZWIPSA-N 0 1 468.575 4.366 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c([N+](=O)[O-])c3)c2C)C(=O)NC1=S ZINC000409171492 570154929 /nfs/dbraw/zinc/15/49/29/570154929.db2.gz CEDUTPZGFAUBGV-XDHOZWIPSA-N 0 1 490.541 4.151 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)NC1=S ZINC000409174902 570156421 /nfs/dbraw/zinc/15/64/21/570156421.db2.gz VMFGNOKZXSNTOQ-GHRIWEEISA-N 0 1 482.359 4.080 40 10 JICBMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)s2)cc1 ZINC000260798400 570158465 /nfs/dbraw/zinc/15/84/65/570158465.db2.gz SPSOHTVUGLXCPX-ROUUACIJSA-N 0 1 499.662 4.375 40 10 JICBMN CCOc1cc(C=C2C(=O)N(c3ccccc3)C(=O)N(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000409210188 570169294 /nfs/dbraw/zinc/16/92/94/570169294.db2.gz IXCLKHWUTRLUFF-UHFFFAOYSA-N 0 1 473.441 4.283 40 10 JICBMN CC(=O)Nc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 ZINC000409228020 570176471 /nfs/dbraw/zinc/17/64/71/570176471.db2.gz SRQAEUCSASKHIC-HYARGMPZSA-N 0 1 472.570 4.192 40 10 JICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)cc1F ZINC000409230867 570177644 /nfs/dbraw/zinc/17/76/44/570177644.db2.gz GTCRGBAEUXMWFU-LICLKQGHSA-N 0 1 463.456 4.276 40 10 JICBMN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409236977 570180120 /nfs/dbraw/zinc/18/01/20/570180120.db2.gz HLYGNCJDRUAHGP-JLHYYAGUSA-N 0 1 465.756 4.333 40 10 JICBMN COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1C ZINC000409236816 570180138 /nfs/dbraw/zinc/18/01/38/570180138.db2.gz GBPMMXWHULPTRZ-XDHOZWIPSA-N 0 1 490.541 4.151 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409243001 570182704 /nfs/dbraw/zinc/18/27/04/570182704.db2.gz UEBAUGBPPLRHLQ-CIAFOILYSA-N 0 1 474.542 4.450 40 10 JICBMN CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c2ccccc21 ZINC000409253367 570186349 /nfs/dbraw/zinc/18/63/49/570186349.db2.gz UDVRDMDWIUYITC-FYJGNVAPSA-N 0 1 475.570 4.159 40 10 JICBMN CCCCOc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O ZINC000408530584 570187680 /nfs/dbraw/zinc/18/76/80/570187680.db2.gz JUQIIEJGDPOJEX-LGMDPLHJSA-N 0 1 459.365 4.459 40 10 JICBMN CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21 ZINC000019936855 555554402 /nfs/dbraw/zinc/55/44/02/555554402.db2.gz JLPJGOIYBPWRGS-UHFFFAOYSA-N 0 1 456.907 4.300 40 10 JICBMN CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1[O-] ZINC000011867630 555844819 /nfs/dbraw/zinc/84/48/19/555844819.db2.gz NGMQEYYXETZRSP-FUHWJXTLSA-N 0 1 489.597 4.274 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000015013383 555855138 /nfs/dbraw/zinc/85/51/38/555855138.db2.gz ZAWSMUHHJYHMBF-OCKHKDLRSA-N 0 1 479.945 4.308 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c(C)c1 ZINC000059678545 569607476 /nfs/dbraw/zinc/60/74/76/569607476.db2.gz AUBWHIAMTWOXKT-XNTDXEJSSA-N 0 1 474.380 4.090 40 10 JICBMN CCc1ccc(N2C(=O)C(=Cc3cc(OC)c(O)cc3Br)C(=O)NC2=S)cc1 ZINC000038166097 569799809 /nfs/dbraw/zinc/79/98/09/569799809.db2.gz RWZQFXOUOIIOKD-RIYZIHGNSA-N 0 1 461.337 4.397 40 10 JICBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(-c2cc([N+](=O)[O-])c(Cl)cc2Cl)o1 ZINC000107801270 569857476 /nfs/dbraw/zinc/85/74/76/569857476.db2.gz YQSHPWSFYOPAFO-AWNIVKPZSA-N 0 1 476.228 4.417 40 10 JICBMN Cc1cc(N2CCCC2)c(F)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000107933686 569858004 /nfs/dbraw/zinc/85/80/04/569858004.db2.gz FOVIBUQTUUJBPM-GZTJUZNOSA-N 0 1 488.382 4.328 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000113833424 569862093 /nfs/dbraw/zinc/86/20/93/569862093.db2.gz KCIWKZOILMPZGA-KGENOOAVSA-N 0 1 459.458 4.034 40 10 JICBMN Cn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21 ZINC000225679550 570014241 /nfs/dbraw/zinc/01/42/41/570014241.db2.gz GEMOAAWRTAHMCI-UHFFFAOYSA-N 0 1 458.948 4.285 40 10 JICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000408692001 570015172 /nfs/dbraw/zinc/01/51/72/570015172.db2.gz BCCVWRGRNRIPSW-LDADJPATSA-N 0 1 469.335 4.433 40 10 JICBMN CC[C@H](C)Oc1c(Br)cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc1OC ZINC000408694214 570016806 /nfs/dbraw/zinc/01/68/06/570016806.db2.gz GAMVJMDALDBHJD-DGGAMASNSA-N 0 1 465.344 4.039 40 10 JICBMN Cc1cc(C=C2C(=O)NC(=O)NC2=O)c(C)n1-c1sc2c(c1C(=O)Nc1ccccc1)CCCC2 ZINC000408813276 570049672 /nfs/dbraw/zinc/04/96/72/570049672.db2.gz QNSLXUPGNHZMBO-UHFFFAOYSA-N 0 1 488.569 4.036 40 10 JICBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 ZINC000408870874 570059640 /nfs/dbraw/zinc/05/96/40/570059640.db2.gz XTTRCCKJNZTKOK-STZFKDTASA-N 0 1 458.539 4.414 40 10 JICBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408873130 570060175 /nfs/dbraw/zinc/06/01/75/570060175.db2.gz NLSIRBANTHTDHN-MOSHPQCFSA-N 0 1 462.502 4.245 40 10 JICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2cccc([N+](=O)[O-])c2)c1 ZINC000408873361 570060352 /nfs/dbraw/zinc/06/03/52/570060352.db2.gz PUKBJRNQECWUCO-BKUYFWCQSA-N 0 1 489.509 4.014 40 10 JICBMN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000408961969 570086271 /nfs/dbraw/zinc/08/62/71/570086271.db2.gz WEJIRXRJXKLKNE-XDHOZWIPSA-N 0 1 470.392 4.189 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409009984 570099181 /nfs/dbraw/zinc/09/91/81/570099181.db2.gz AUURSAZVBACZHQ-XKZIYDEJSA-N 0 1 474.542 4.450 40 10 JICBMN O=C1NC(=O)C(=Cc2cc(Cl)c(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(Cl)c2)C(=O)N1 ZINC000409077509 570120436 /nfs/dbraw/zinc/12/04/36/570120436.db2.gz FCGWMBVWZHNMQY-UHFFFAOYSA-N 0 1 490.177 4.462 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc43)C(=O)NC2=S)c(OC)c1 ZINC000409108254 570131092 /nfs/dbraw/zinc/13/10/92/570131092.db2.gz SVDILEZQEWJWOS-XSFVSMFZSA-N 0 1 476.554 4.476 40 10 JICBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)o2)cc1 ZINC000409135367 570142004 /nfs/dbraw/zinc/14/20/04/570142004.db2.gz YTYORIZTLNCFFT-CPNJWEJPSA-N 0 1 460.511 4.181 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000409194005 570162997 /nfs/dbraw/zinc/16/29/97/570162997.db2.gz KEROYQRWFAJAFT-YVLHZVERSA-N 0 1 456.886 4.060 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OC)c1 ZINC000409230546 570177531 /nfs/dbraw/zinc/17/75/31/570177531.db2.gz FIQDKXUOOKWNHW-WOJGMQOQSA-N 0 1 477.508 4.392 40 10 JICBMN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 ZINC000409236848 570180160 /nfs/dbraw/zinc/18/01/60/570180160.db2.gz GHKPBIMVNDRXJZ-SFQUDFHCSA-N 0 1 463.471 4.003 40 10 JICBMN COc1cc(/C=C2/SC(=S)N(c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O ZINC000409330297 570203796 /nfs/dbraw/zinc/20/37/96/570203796.db2.gz KQZRNDOJWQLYHX-RIYZIHGNSA-N 0 1 467.322 4.477 40 10 JICBMN CCOc1cccc(N2C(=O)C(=Cc3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)c1 ZINC000001312403 194083489 /nfs/dbraw/zinc/08/34/89/194083489.db2.gz JRSDOGDTIYRVIW-MHWRWJLKSA-N 0 1 474.380 4.156 40 10 JICBMN O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000003865697 194365597 /nfs/dbraw/zinc/36/55/97/194365597.db2.gz QEFMHACWSYFETO-SXGWCWSVSA-N 0 1 463.924 4.184 40 10 JICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccc(C)cc1 ZINC000033400562 569625791 /nfs/dbraw/zinc/62/57/91/569625791.db2.gz KPFXOWLBBZPFDV-JLPGSUDCSA-N 0 1 497.551 4.211 40 10 JICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Br)cc1 ZINC000033702873 569631028 /nfs/dbraw/zinc/63/10/28/569631028.db2.gz ZYHKQCLDFACHHH-UYRXBGFRSA-N 0 1 493.313 4.138 40 10 JICBMN Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl ZINC000034881284 569668842 /nfs/dbraw/zinc/66/88/42/569668842.db2.gz SLPJSWMXSTYJGT-UYRXBGFRSA-N 0 1 461.905 4.127 40 10 JICBMN CCOc1ccc(N2C(=O)C[C@@H](N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000100872185 569773087 /nfs/dbraw/zinc/77/30/87/569773087.db2.gz PMBQIUAEBAZCNB-ONKYZEBYSA-N 0 1 464.568 4.175 40 10 JICBMN CCOc1ccc(N2C(=O)CC(N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000100872185 569773088 /nfs/dbraw/zinc/77/30/88/569773088.db2.gz PMBQIUAEBAZCNB-ONKYZEBYSA-N 0 1 464.568 4.175 40 10 JICBMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000113834716 569862211 /nfs/dbraw/zinc/86/22/11/569862211.db2.gz PHBDKPYJGFLHAB-DEDYPNTBSA-N 0 1 479.330 4.498 40 10 JICBMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)s2)c1 ZINC000222577854 569886188 /nfs/dbraw/zinc/88/61/88/569886188.db2.gz PJWHTYLWGCOWDT-QGZVFWFLSA-N 0 1 485.635 4.129 40 10 JICBMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)s2)cc1 ZINC000223744447 569921918 /nfs/dbraw/zinc/92/19/18/569921918.db2.gz SPSOHTVUGLXCPX-MSOLQXFVSA-N 0 1 499.662 4.375 40 10 JICBMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1 ZINC000225574871 570006764 /nfs/dbraw/zinc/00/67/64/570006764.db2.gz FWFLUYMEGSPYCA-SJLPKXTDSA-N 0 1 499.662 4.375 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(F)cc1 ZINC000408692667 570015595 /nfs/dbraw/zinc/01/55/95/570015595.db2.gz RVLFIIRVAVHJIF-DEDYPNTBSA-N 0 1 452.482 4.208 40 10 JICBMN COc1ccc2ccccc2c1/C=C1/C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000408743698 570032977 /nfs/dbraw/zinc/03/29/77/570032977.db2.gz XGJSUKSQHAUMLQ-PDGQHHTCSA-N 0 1 467.344 4.442 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408770894 570038871 /nfs/dbraw/zinc/03/88/71/570038871.db2.gz AUMNPMFPYFMOAO-WSDLNYQXSA-N 0 1 474.542 4.450 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)cc1C ZINC000408770939 570038910 /nfs/dbraw/zinc/03/89/10/570038910.db2.gz CPDXNEKMFJJGCO-UDWIEESQSA-N 0 1 474.498 4.230 40 10 JICBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4F)C3=O)c2C)c1C ZINC000408854526 570056130 /nfs/dbraw/zinc/05/61/30/570056130.db2.gz HJZQSLONOJBJHP-CPNJWEJPSA-N 0 1 491.544 4.160 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1OC ZINC000408854533 570056161 /nfs/dbraw/zinc/05/61/61/570056161.db2.gz HRSZESGGEWOBHT-UXBLZVDNSA-N 0 1 471.749 4.495 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)c(C)c1 ZINC000408931204 570080025 /nfs/dbraw/zinc/08/00/25/570080025.db2.gz IKWCVPNYOJRIQM-HYARGMPZSA-N 0 1 487.581 4.329 40 10 JICBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)NC1=S ZINC000409107447 570130857 /nfs/dbraw/zinc/13/08/57/570130857.db2.gz PXKQAAOEOFUWSV-SFQUDFHCSA-N 0 1 466.906 4.179 40 10 JICBMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC[C@H](C)C4)cc3)s2)c1 ZINC000260805438 570158780 /nfs/dbraw/zinc/15/87/80/570158780.db2.gz CZSSFBLXEARASF-ROUUACIJSA-N 0 1 499.662 4.375 40 10 JICBMN COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409243636 570183091 /nfs/dbraw/zinc/18/30/91/570183091.db2.gz XGHNPVTXNSEDIM-AWNIVKPZSA-N 0 1 495.782 4.259 40 10 JICBMN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)cc1C ZINC000409251435 570185892 /nfs/dbraw/zinc/18/58/92/570185892.db2.gz PUQBZOGSKADHTK-HAHDFKILSA-N 0 1 485.565 4.152 40 10 JICBMN Cc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)c(C)c1 ZINC000409271195 570189262 /nfs/dbraw/zinc/18/92/62/570189262.db2.gz KHZAUQBCNDGPIN-JCMHNJIXSA-N 0 1 485.565 4.152 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(=O)CC ZINC000016610014 520629145 /nfs/dbraw/zinc/62/91/45/520629145.db2.gz IXKBPXVSGOZREM-DULCUPMQSA-N 0 1 494.588 4.467 40 10 JICBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 ZINC000059678191 569607417 /nfs/dbraw/zinc/60/74/17/569607417.db2.gz WIYYYJPNEWIZDC-NTEUORMPSA-N 0 1 480.771 4.127 40 10 JICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc(Cl)cc1 ZINC000034719604 569652330 /nfs/dbraw/zinc/65/23/30/569652330.db2.gz FAYOFDMGTUSEIP-NDENLUEZSA-N 0 1 464.905 4.398 40 10 JICBMN CCc1ccc(N2C(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C(=O)NC2=S)cc1 ZINC000038186758 569800536 /nfs/dbraw/zinc/80/05/36/569800536.db2.gz RFWIZTZBZYBBGY-RIYZIHGNSA-N 0 1 461.337 4.397 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)ccc1OCc1cccc(F)c1 ZINC000107650509 569856858 /nfs/dbraw/zinc/85/68/58/569856858.db2.gz AAMSYHWXHIDXGQ-UDWIEESQSA-N 0 1 464.449 4.058 40 10 JICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccccc2)c(I)c1 ZINC000108024437 569858336 /nfs/dbraw/zinc/85/83/36/569858336.db2.gz GWXLXSDMCHAEHS-UYRXBGFRSA-N 0 1 496.304 4.332 40 10 JICBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)C1=CNc1ccc(Br)cc1F ZINC000108977369 569860112 /nfs/dbraw/zinc/86/01/12/569860112.db2.gz SVBULHHPICONFT-YFHOEESVSA-N 0 1 472.698 4.124 40 10 JICBMN COc1ccc(C(=O)c2coc3ccc([O-])c(C[N@@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)c23)cc1 ZINC000218019259 569882467 /nfs/dbraw/zinc/88/24/67/569882467.db2.gz MRKJLCHNYSLWDS-PKOBYXMFSA-N 0 1 470.525 4.159 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccccc1 ZINC000408692182 570015280 /nfs/dbraw/zinc/01/52/80/570015280.db2.gz GPHRRLGDMCNPFE-WOJGMQOQSA-N 0 1 454.910 4.332 40 10 JICBMN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1C ZINC000409234514 570179126 /nfs/dbraw/zinc/17/91/26/570179126.db2.gz LHHNYJBZBKAYCZ-XSFVSMFZSA-N 0 1 473.554 4.020 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OCC ZINC000409234892 570179230 /nfs/dbraw/zinc/17/92/30/570179230.db2.gz AGHFZXVNIZIBDQ-XNTDXEJSSA-N 0 1 489.391 4.386 40 10 JICBMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C(C)C)cc2)C1=O ZINC000409235859 570179603 /nfs/dbraw/zinc/17/96/03/570179603.db2.gz CQYAGPCXAYEXHP-GZTJUZNOSA-N 0 1 459.365 4.412 40 10 JICBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000409242661 570182568 /nfs/dbraw/zinc/18/25/68/570182568.db2.gz SBQQRRUFPLDKTC-KGENOOAVSA-N 0 1 460.515 4.340 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(C)c([N+](=O)[O-])c1 ZINC000409244017 570183228 /nfs/dbraw/zinc/18/32/28/570183228.db2.gz WKBOKECZZXGGKF-UDWIEESQSA-N 0 1 474.542 4.450 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1cccnc1 ZINC000409251806 570185890 /nfs/dbraw/zinc/18/58/90/570185890.db2.gz QHVRMLIUAYFATR-VXLYETTFSA-N 0 1 450.951 4.282 40 10 JICBMN CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N=Cc3c(C)[nH]n(-c4ccc(Cl)c(OC)c4)c3=O)cc21 ZINC000408532732 570188693 /nfs/dbraw/zinc/18/86/93/570188693.db2.gz QWWFUYNBLZXZIK-QINSGFPZSA-N 0 1 498.927 4.132 40 10 JICBMN COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2cc(Br)ccc21 ZINC000059087195 195387527 /nfs/dbraw/zinc/38/75/27/195387527.db2.gz RCWXGIDKCCXFBS-RQZCQDPDSA-N 0 1 488.338 4.212 40 10 JICBMN COc1c(Br)cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1[N+](=O)[O-] ZINC000059135896 195390659 /nfs/dbraw/zinc/39/06/59/195390659.db2.gz DSHNNIAILKAWQP-UXBLZVDNSA-N 0 1 480.271 4.177 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1O ZINC000016576045 521962076 /nfs/dbraw/zinc/96/20/76/521962076.db2.gz ZBVODVBUGGDRSR-BEQICNHGSA-N 0 1 458.942 4.121 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1OC ZINC000016576047 521962332 /nfs/dbraw/zinc/96/23/32/521962332.db2.gz GBDCTUKCGKVYAK-IKWVTPRCSA-N 0 1 472.969 4.424 40 10 JICBMN COC(=O)c1ccc(-c2ccc(/C=C3/C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)o2)c(C)c1 ZINC000009260379 555034710 /nfs/dbraw/zinc/03/47/10/555034710.db2.gz IWNIHMIPYZJVBX-BKUYFWCQSA-N 0 1 474.538 4.490 40 10 JICBMN Cc1c(/C=C2/C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c2ccccc2n1C ZINC000009311463 555087997 /nfs/dbraw/zinc/08/79/97/555087997.db2.gz DKTUAOPTWBTXMP-BOPFTXTBSA-N 0 1 454.349 4.081 40 10 JICBMN CN1C[C@H](c2cccs2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12c1ccccc1N(C)C2=O ZINC000013540383 555488951 /nfs/dbraw/zinc/48/89/51/555488951.db2.gz DUBALWYGBWSREQ-VEYWIMSWSA-N 0 1 495.651 4.041 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)NC2=S)c(OC)c1 ZINC000059595784 569607084 /nfs/dbraw/zinc/60/70/84/569607084.db2.gz VJGQRLDINWHNKV-GZTJUZNOSA-N 0 1 468.918 4.449 40 10 JICBMN CCN(CC)c1ccc(/C=C2\CCC([C@@H]3NC(=N)Nc4nc5ccccc5n43)=C2N2CCOCC2)cc1 ZINC000101373626 569794948 /nfs/dbraw/zinc/79/49/48/569794948.db2.gz WTUBFJSZCIPOPJ-KVMXLORXSA-N 0 1 497.647 4.394 40 10 JICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc(Br)cc1 ZINC000108243830 569859219 /nfs/dbraw/zinc/85/92/19/569859219.db2.gz GIUZXKLTWDSHAD-UYRXBGFRSA-N 0 1 494.301 4.398 40 10 JICBMN Cc1ccccc1NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000108948490 569859990 /nfs/dbraw/zinc/85/99/90/569859990.db2.gz QJMQMWMNWLMZQV-ZHZULCJRSA-N 0 1 461.905 4.127 40 10 JICBMN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1C ZINC000408609581 569972243 /nfs/dbraw/zinc/97/22/43/569972243.db2.gz UFMGCWYKLGJVSP-UHFFFAOYSA-N 0 1 456.951 4.430 40 10 JICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1 ZINC000408692719 570015648 /nfs/dbraw/zinc/01/56/48/570015648.db2.gz SVWDVBLGLDPBPD-GDNBJRDFSA-N 0 1 474.267 4.022 40 10 JICBMN CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=C1\C(=O)NC(=O)N(C2CCCC2)C1=O ZINC000408694489 570016992 /nfs/dbraw/zinc/01/69/92/570016992.db2.gz IPQJKTBOMOODPI-RCCKNPSSSA-N 0 1 476.529 4.119 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc(Cl)c1O ZINC000408851816 570055672 /nfs/dbraw/zinc/05/56/72/570055672.db2.gz ADVXHOWGJYQZCW-WEVVVXLNSA-N 0 1 457.722 4.192 40 10 JICBMN COC(=O)c1ccc(C)c(-c2ccc(/C=C3/C(=O)NC(=S)N(c4ccc(F)cc4)C3=O)o2)c1 ZINC000408918084 570076068 /nfs/dbraw/zinc/07/60/68/570076068.db2.gz FWJNWUVTCNGFDR-UNOMPAQXSA-N 0 1 464.474 4.012 40 10 JICBMN CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 ZINC000408952154 570084211 /nfs/dbraw/zinc/08/42/11/570084211.db2.gz KNTQOTWKMSLDHE-XSFVSMFZSA-N 0 1 450.951 4.028 40 10 JICBMN COc1ccc(OC)c(COc2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000408988557 570093198 /nfs/dbraw/zinc/09/31/98/570093198.db2.gz IJRSNAQHJBKSAV-HYARGMPZSA-N 0 1 474.538 4.114 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)cc1 ZINC000409019474 570102522 /nfs/dbraw/zinc/10/25/22/570102522.db2.gz ZHWCACIVAAFOCQ-CPNJWEJPSA-N 0 1 466.360 4.380 40 10 JICBMN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)c1 ZINC000409021738 570103248 /nfs/dbraw/zinc/10/32/48/570103248.db2.gz VYPSCWVDIPOGHI-SRZZPIQSSA-N 0 1 491.544 4.160 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OC ZINC000409093942 570125883 /nfs/dbraw/zinc/12/58/83/570125883.db2.gz BWGURKDZUYQRHK-KPKJPENVSA-N 0 1 451.331 4.150 40 10 JICBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c(F)c2)C(=O)NC1=S ZINC000409109166 570131355 /nfs/dbraw/zinc/13/13/55/570131355.db2.gz YWTUIOZINJCLRW-LFIBNONCSA-N 0 1 488.382 4.328 40 10 JICBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)c(OC)c(Cl)c3)C2=O)cc1OC ZINC000409129900 570139649 /nfs/dbraw/zinc/13/96/49/570139649.db2.gz LEYLEHZZYHDQQD-OVCLIPMQSA-N 0 1 493.343 4.461 40 10 JICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1Br ZINC000409132741 570140871 /nfs/dbraw/zinc/14/08/71/570140871.db2.gz KRNKIFFEEWJQIO-XNTDXEJSSA-N 0 1 459.365 4.296 40 10 JICBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)c1 ZINC000409144334 570146120 /nfs/dbraw/zinc/14/61/20/570146120.db2.gz FKGIUWBQJQARJV-HYARGMPZSA-N 0 1 487.581 4.329 40 10 JICBMN CC1=NN(c2cccc(Cl)c2)C(=O)C1=CNc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000408526860 570186265 /nfs/dbraw/zinc/18/62/65/570186265.db2.gz COYRDXUDFWICEI-UVTDQMKNSA-N 0 1 474.746 4.011 40 10 JICBMN Cc1[nH]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000408526860 570186266 /nfs/dbraw/zinc/18/62/66/570186266.db2.gz COYRDXUDFWICEI-UVTDQMKNSA-N 0 1 474.746 4.011 40 10 JICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000409252988 570186316 /nfs/dbraw/zinc/18/63/16/570186316.db2.gz YIQPPGGNXZHNOD-LDADJPATSA-N 0 1 457.433 4.033 40 10 JICBMN Cc1ccc(C)c(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)c1 ZINC000409256541 570186938 /nfs/dbraw/zinc/18/69/38/570186938.db2.gz PECGHYRCJVRLRE-JCMHNJIXSA-N 0 1 485.565 4.152 40 10 JICBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1NC(C)=O ZINC000408585379 570207989 /nfs/dbraw/zinc/20/79/89/570207989.db2.gz FWISSRGAKYSZSL-UHFFFAOYSA-N 0 1 458.923 4.339 40 10 JICBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C\c1ccc(N2CCCC2)c(F)c1 ZINC000009265479 555041398 /nfs/dbraw/zinc/04/13/98/555041398.db2.gz TYLOPBYEPOGFJP-WJDWOHSUSA-N 0 1 474.355 4.020 40 10 JICBMN COc1cccc([C@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c1O ZINC000018144265 556293983 /nfs/dbraw/zinc/29/39/83/556293983.db2.gz ABBJGWSFAACZDO-FUDKSRODSA-N 0 1 464.905 4.414 40 10 JICBMN CCOc1cc(OCC)c(C(=O)c2ccccc2)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000033423017 569626202 /nfs/dbraw/zinc/62/62/02/569626202.db2.gz BGTOFWGJLOIHGQ-JWGURIENSA-N 0 1 456.498 4.176 40 10 JICBMN COc1cccc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1 ZINC000033751086 569633564 /nfs/dbraw/zinc/63/35/64/569633564.db2.gz JADYFNWLBVWCCN-XSFVSMFZSA-N 0 1 479.330 4.498 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000035084920 569674516 /nfs/dbraw/zinc/67/45/16/569674516.db2.gz BVMVJUXRJSYOKR-RQNDZEIBSA-N 0 1 459.340 4.487 40 10 JICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1Br ZINC000107909417 569857902 /nfs/dbraw/zinc/85/79/02/569857902.db2.gz UBACEFLAQYNRPW-LFIBNONCSA-N 0 1 459.365 4.242 40 10 JICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1OCC(=O)Nc1ccccc1 ZINC000108118636 569858701 /nfs/dbraw/zinc/85/87/01/569858701.db2.gz GONREFIBENEXKT-ULJHMMPZSA-N 0 1 497.551 4.293 40 10 JICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)ccc1OCc1ccccc1 ZINC000408694829 570017307 /nfs/dbraw/zinc/01/73/07/570017307.db2.gz MZVGYNNPINDWQZ-CPNJWEJPSA-N 0 1 469.335 4.433 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OC(C)C ZINC000408695442 570017833 /nfs/dbraw/zinc/01/78/33/570017833.db2.gz UYJNKQVQLPSLFS-OQLLNIDSSA-N 0 1 465.344 4.039 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408739894 570031671 /nfs/dbraw/zinc/03/16/71/570031671.db2.gz BOELQMWAMAIGAS-QGOAFFKASA-N 0 1 472.408 4.435 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408770752 570038861 /nfs/dbraw/zinc/03/88/61/570038861.db2.gz BYVVKLDIWZDBJT-WSDLNYQXSA-N 0 1 474.542 4.450 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408777641 570040701 /nfs/dbraw/zinc/04/07/01/570040701.db2.gz DVQMJHKMZVMXNG-CIAFOILYSA-N 0 1 474.542 4.450 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc(Br)c1OC(C)C ZINC000408883657 570063633 /nfs/dbraw/zinc/06/36/33/570063633.db2.gz VINYOXCTHKNKQV-YBEGLDIGSA-N 0 1 489.391 4.466 40 10 JICBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 ZINC000408918791 570076312 /nfs/dbraw/zinc/07/63/12/570076312.db2.gz PCUDPMNRYAIUQN-BKUYFWCQSA-N 0 1 450.466 4.375 40 10 JICBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000408959514 570085281 /nfs/dbraw/zinc/08/52/81/570085281.db2.gz ADZPQHZVBOKCGQ-XMHGGMMESA-N 0 1 470.392 4.271 40 10 JICBMN C=C1N=C(SCC(=O)Nc2cccc(C)c2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408993587 570094896 /nfs/dbraw/zinc/09/48/96/570094896.db2.gz WOSRTXJIOBOMFO-QHCPKHFHSA-N 0 1 466.607 4.270 40 10 JICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)c2ccccc12 ZINC000409068309 570117296 /nfs/dbraw/zinc/11/72/96/570117296.db2.gz RTFGXCKDTUFJMN-CPNJWEJPSA-N 0 1 462.527 4.087 40 10 JICBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000409094290 570125978 /nfs/dbraw/zinc/12/59/78/570125978.db2.gz DJTFPHHSQIOLMX-OQLLNIDSSA-N 0 1 465.756 4.333 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)NC2=S)c(OC)c1 ZINC000409104115 570129474 /nfs/dbraw/zinc/12/94/74/570129474.db2.gz DSAMBCFMIVOGCH-WOJGMQOQSA-N 0 1 481.961 4.288 40 10 JICBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1Br ZINC000409174904 570156391 /nfs/dbraw/zinc/15/63/91/570156391.db2.gz VMRLRCZRJVBRJT-JMRXEAOASA-N 0 1 489.391 4.466 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C(=O)NC1=S ZINC000409175034 570156508 /nfs/dbraw/zinc/15/65/08/570156508.db2.gz YGOSHSVQGQMGOH-RCCKNPSSSA-N 0 1 474.586 4.000 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409206005 570167241 /nfs/dbraw/zinc/16/72/41/570167241.db2.gz GRQHINITKZRCGC-BRMCRPDNSA-N 0 1 478.401 4.422 40 10 JICBMN COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c1OC ZINC000409239705 570181445 /nfs/dbraw/zinc/18/14/45/570181445.db2.gz INVASRIOFNHNKH-VGOFMYFVSA-N 0 1 495.782 4.259 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Cl)c1OC ZINC000409240124 570181502 /nfs/dbraw/zinc/18/15/02/570181502.db2.gz FPURMAWBUCDEBS-XYOKQWHBSA-N 0 1 451.331 4.232 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000033457044 520623096 /nfs/dbraw/zinc/62/30/96/520623096.db2.gz DFHLCXXIEYPTOL-ZHZULCJRSA-N 0 1 462.889 4.419 40 10 JICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccccc1C#N ZINC000033536830 569627569 /nfs/dbraw/zinc/62/75/69/569627569.db2.gz ZSKRTUIDFLAOCC-IWIPYMOSSA-N 0 1 465.509 4.336 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000035084924 569674460 /nfs/dbraw/zinc/67/44/60/569674460.db2.gz BVMVJUXRJSYOKR-FMNVXAMXSA-N 0 1 459.340 4.487 40 10 JICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000035362390 569682417 /nfs/dbraw/zinc/68/24/17/569682417.db2.gz UMFVNLPMVNKENI-UNOMPAQXSA-N 0 1 479.330 4.498 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3cc4c(cc3C)N(C)C(C)(C)C=C4C)C(=O)NC2=S)cc1 ZINC000208449964 569875496 /nfs/dbraw/zinc/87/54/96/569875496.db2.gz MTCADOFVMCOREG-FYJGNVAPSA-N 0 1 461.587 4.467 40 10 JICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(Cc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000408692093 570015297 /nfs/dbraw/zinc/01/52/97/570015297.db2.gz DGFRGCZNDZRNAK-FYJGNVAPSA-N 0 1 458.474 4.002 40 10 JICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Br)cc2)cc1 ZINC000408692202 570015319 /nfs/dbraw/zinc/01/53/19/570015319.db2.gz GYPRIGWVYPDUSZ-DEDYPNTBSA-N 0 1 469.335 4.433 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000408692473 570015550 /nfs/dbraw/zinc/01/55/50/570015550.db2.gz NDUZJPMVBVHWMJ-XDHOZWIPSA-N 0 1 454.910 4.332 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1O[C@@H](C)CC ZINC000408693878 570016555 /nfs/dbraw/zinc/01/65/55/570016555.db2.gz AIBUHXPBGFCTNV-RKPNYOAGSA-N 0 1 479.371 4.430 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c(C)c1 ZINC000408932425 570080477 /nfs/dbraw/zinc/08/04/77/570080477.db2.gz WZKYDWZGNNMYCV-KGENOOAVSA-N 0 1 487.581 4.329 40 10 JICBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc1 ZINC000408950018 570083954 /nfs/dbraw/zinc/08/39/54/570083954.db2.gz DCIFZVXBLRXKSE-CPNJWEJPSA-N 0 1 496.386 4.388 40 10 JICBMN C=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408993774 570095007 /nfs/dbraw/zinc/09/50/07/570095007.db2.gz XLDNNHZEIPSZBE-NRFANRHFSA-N 0 1 454.552 4.432 40 10 JICBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)NC1=S ZINC000409071825 570118510 /nfs/dbraw/zinc/11/85/10/570118510.db2.gz QBJOONCEDVTHIO-SFQUDFHCSA-N 0 1 466.906 4.179 40 10 JICBMN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409076140 570119970 /nfs/dbraw/zinc/11/99/70/570119970.db2.gz YJYVLDYQUISDFS-LFIBNONCSA-N 0 1 485.993 4.097 40 10 JICBMN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000409190680 570161835 /nfs/dbraw/zinc/16/18/35/570161835.db2.gz PQWFHMLBLRZSFG-XSFVSMFZSA-N 0 1 496.560 4.334 40 10 JICBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(OCC)c3)C2=O)cc1OCC ZINC000409191850 570162274 /nfs/dbraw/zinc/16/22/74/570162274.db2.gz OSQJXPUYCGQUBO-XSFVSMFZSA-N 0 1 496.560 4.334 40 10 JICBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccccc2Cl)C1=O ZINC000409229178 570176940 /nfs/dbraw/zinc/17/69/40/570176940.db2.gz KUTQVDPJRBGDJM-GHRIWEEISA-N 0 1 455.967 4.170 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409231340 570177992 /nfs/dbraw/zinc/17/79/92/570177992.db2.gz CBBMURFCFUDIRB-WOJGMQOQSA-N 0 1 470.476 4.339 40 10 JICBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409234982 570179254 /nfs/dbraw/zinc/17/92/54/570179254.db2.gz ACBHRUUHDZHWMZ-XYOKQWHBSA-N 0 1 495.782 4.341 40 10 JICBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1 ZINC000409237280 570180242 /nfs/dbraw/zinc/18/02/42/570180242.db2.gz HSPMARPXCRSANN-XQNSMLJCSA-N 0 1 458.587 4.498 40 10 JICBMN O=C(COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1)Nc1ccc(Cl)cc1 ZINC000409259102 570187176 /nfs/dbraw/zinc/18/71/76/570187176.db2.gz WNAUQJMHRKJJCS-STZFKDTASA-N 0 1 491.956 4.189 40 10 JICBMN Cc1[nH]n(-c2ccc(Br)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000408529902 570187346 /nfs/dbraw/zinc/18/73/46/570187346.db2.gz IGCTUBFVWYRFGJ-ZROIWOOFSA-N 0 1 460.244 4.292 40 10 JICBMN Cc1ccc(C)c(NC(=O)COc2cccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)c2)c1 ZINC000409268168 570188861 /nfs/dbraw/zinc/18/88/61/570188861.db2.gz QXQYXXZAELOCEV-JCMHNJIXSA-N 0 1 485.565 4.152 40 10 JICBMN O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccccc1Cl ZINC000409268166 570188867 /nfs/dbraw/zinc/18/88/67/570188867.db2.gz QVYKOADFCSHGDW-RGEXLXHISA-N 0 1 491.956 4.189 40 10 JICBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3sc4c(c3C(=O)OC)CCCC4)c2C)C1=O ZINC000059109646 195389293 /nfs/dbraw/zinc/38/92/93/195389293.db2.gz KSWYMDHSVVHWSB-LFIBNONCSA-N 0 1 455.536 4.143 40 10 JICBMN O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(N2CCN(Cc3ccccc3)CC2)c([N+](=O)[O-])c1 ZINC000059489880 569605933 /nfs/dbraw/zinc/60/59/33/569605933.db2.gz OYTMRRSSDIGCSY-UHFFFAOYSA-N 0 1 491.544 4.061 40 10 JICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000033524330 569627249 /nfs/dbraw/zinc/62/72/49/569627249.db2.gz MYOFZZMLDGCTNH-HAHDFKILSA-N 0 1 485.496 4.372 40 10 JICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 ZINC000033536764 569627575 /nfs/dbraw/zinc/62/75/75/569627575.db2.gz AINMOCRPROFEMP-NVMNQCDNSA-N 0 1 478.888 4.118 40 10 JICBMN COc1ccc(N2CCN(Cc3coc(=O)c(C[N@@H+]4C[C@]5(C)C[C@H]4CC(C)(C)C5)c3[O-])CC2)cc1 ZINC000101363165 569794365 /nfs/dbraw/zinc/79/43/65/569794365.db2.gz ASEKFTANGAJBHW-SKCUWOTOSA-N 0 1 481.637 4.077 40 10 JICBMN COc1ccc(N2CCN(Cc3coc(=O)c(C[N@H+]4C[C@]5(C)C[C@H]4CC(C)(C)C5)c3[O-])CC2)cc1 ZINC000101363165 569794367 /nfs/dbraw/zinc/79/43/67/569794367.db2.gz ASEKFTANGAJBHW-SKCUWOTOSA-N 0 1 481.637 4.077 40 10 JICBMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1N1C(=O)CCC1=O ZINC000223303224 569906695 /nfs/dbraw/zinc/90/66/95/569906695.db2.gz NDRGFALQNWXSCA-UHFFFAOYSA-N 0 1 498.944 4.034 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(Cl)cc4)C3=O)c2C)cc1 ZINC000408741902 570032448 /nfs/dbraw/zinc/03/24/48/570032448.db2.gz LZUDOANAGXNEMI-FYJGNVAPSA-N 0 1 493.972 4.365 40 10 JICBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1ccc(I)o1 ZINC000408760029 570036558 /nfs/dbraw/zinc/03/65/58/570036558.db2.gz QEWYPMOFDOIGKT-RMKNXTFCSA-N 0 1 493.109 4.022 40 10 JICBMN CCc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)C(=O)NC1=S ZINC000408768834 570038572 /nfs/dbraw/zinc/03/85/72/570038572.db2.gz KAXBLBBSLSQQLL-FYJGNVAPSA-N 0 1 474.542 4.396 40 10 JICBMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 ZINC000408781619 570041706 /nfs/dbraw/zinc/04/17/06/570041706.db2.gz CXAAEXIHJSTSHF-PXLXIMEGSA-N 0 1 487.581 4.411 40 10 JICBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1c(C)ccc2ccccc21 ZINC000408801841 570045991 /nfs/dbraw/zinc/04/59/91/570045991.db2.gz CFVBAASPDIYEHM-UHFFFAOYSA-N 0 1 450.878 4.139 40 10 JICBMN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)C(=O)N1 ZINC000408809317 570048637 /nfs/dbraw/zinc/04/86/37/570048637.db2.gz NUUOHMWGSUOGCS-UHFFFAOYSA-N 0 1 470.106 4.084 40 10 JICBMN Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)o1 ZINC000408916271 570075483 /nfs/dbraw/zinc/07/54/83/570075483.db2.gz ATIFTMBMINPSFC-WQRHYEAKSA-N 0 1 451.435 4.134 40 10 JICBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)ccc1OCc1ccccc1F ZINC000408916867 570075659 /nfs/dbraw/zinc/07/56/59/570075659.db2.gz HPBURFBYPSLOFZ-UNOMPAQXSA-N 0 1 480.492 4.384 40 10 JICBMN O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(Br)o1 ZINC000408951197 570084112 /nfs/dbraw/zinc/08/41/12/570084112.db2.gz ICXFFQFQBSSRSN-BJMVGYQFSA-N 0 1 490.560 4.289 40 10 JICBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)o2)cc1 ZINC000408966350 570087554 /nfs/dbraw/zinc/08/75/54/570087554.db2.gz LZDXDPZPIJKIOU-LFIBNONCSA-N 0 1 484.892 4.357 40 10 JICBMN Cc1cccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)c1 ZINC000409008951 570098831 /nfs/dbraw/zinc/09/88/31/570098831.db2.gz APYSDTVIPKWQON-CPNJWEJPSA-N 0 1 466.360 4.380 40 10 JICBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)cc1 ZINC000409165907 570153312 /nfs/dbraw/zinc/15/33/12/570153312.db2.gz AOHYOFNYMCLKQY-RCCKNPSSSA-N 0 1 475.570 4.333 40 10 JICBMN CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1 ZINC000409187596 570160959 /nfs/dbraw/zinc/16/09/59/570160959.db2.gz SGLICRDCNMLLAA-CXUHLZMHSA-N 0 1 493.368 4.155 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Br)cc1 ZINC000409205802 570167054 /nfs/dbraw/zinc/16/70/54/570167054.db2.gz FUJDRFLPUXRNFH-UNOMPAQXSA-N 0 1 456.340 4.261 40 10 JICBMN COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1OC ZINC000409223346 570175259 /nfs/dbraw/zinc/17/52/59/570175259.db2.gz ZCLWUOANJNWULB-CXUHLZMHSA-N 0 1 489.391 4.421 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1O ZINC000409231420 570177959 /nfs/dbraw/zinc/17/79/59/570177959.db2.gz KCUGAWNDAZEOFY-AWNIVKPZSA-N 0 1 495.782 4.347 40 10 JICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1ccc(F)cc1 ZINC000409231864 570178019 /nfs/dbraw/zinc/17/80/19/570178019.db2.gz LDYCJFSQKSQAGP-LDADJPATSA-N 0 1 459.424 4.467 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(C)cn1 ZINC000409238419 570180754 /nfs/dbraw/zinc/18/07/54/570180754.db2.gz ZRRWSGSWBSYZJY-GZTJUZNOSA-N 0 1 450.951 4.282 40 10 JICBMN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c1C ZINC000409244605 570183626 /nfs/dbraw/zinc/18/36/26/570183626.db2.gz GBYDOGNTAKDRAE-QGOAFFKASA-N 0 1 493.972 4.365 40 10 JICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OCC ZINC000409253492 570186413 /nfs/dbraw/zinc/18/64/13/570186413.db2.gz VCNSPYJNTRFNKM-MHWRWJLKSA-N 0 1 464.465 4.334 40 10 JICBMN COc1cc(COc2ccc(Cl)cc2C=C2C(=O)NC(=O)NC2=O)ccc1OCc1ccccc1 ZINC000408537814 570190923 /nfs/dbraw/zinc/19/09/23/570190923.db2.gz HJGYCMHMYQYSJP-UHFFFAOYSA-N 0 1 492.915 4.256 40 10 JICBMN COc1cccc(Oc2ccc(NC=C3C(=O)NC(=S)N(c4ccc(F)c(Cl)c4)C3=O)cn2)c1 ZINC000408549854 570194760 /nfs/dbraw/zinc/19/47/60/570194760.db2.gz AIMQVUONBBRUFE-ATVHPVEESA-N 0 1 498.923 4.419 40 10 JICBMN O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000008820433 554707316 /nfs/dbraw/zinc/70/73/16/554707316.db2.gz HFNCXQBNNZDTJQ-DFBITEFZSA-N 0 1 455.517 4.087 40 10 JICBMN COc1ccc(N2C(=O)/C(=C\c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)cc1 ZINC000009260342 555034641 /nfs/dbraw/zinc/03/46/41/555034641.db2.gz LXRAHKBXEADANO-UYRXBGFRSA-N 0 1 482.359 4.080 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000059595621 569607077 /nfs/dbraw/zinc/60/70/77/569607077.db2.gz KGFGJHNIKHNMBI-FYJGNVAPSA-N 0 1 475.570 4.251 40 10 JICBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc2c(c1)OCO2 ZINC000035223804 569678458 /nfs/dbraw/zinc/67/84/58/569678458.db2.gz UXXZCRHNPBITPD-ODLFYWEKSA-N 0 1 478.888 4.118 40 10 JICBMN COc1ccc(-c2c(C)c3ccc([O-])c(C[N@@H+]4C[C@H]5C[C@H](Cn6c(=O)cccc65)C4)c3oc2=O)cc1 ZINC000085387535 569709779 /nfs/dbraw/zinc/70/97/79/569709779.db2.gz SEWGKYURSPFCRW-AZUAARDMSA-N 0 1 484.552 4.264 40 10 JICBMN COc1cccc([C@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c1O ZINC000101050330 569780519 /nfs/dbraw/zinc/78/05/19/569780519.db2.gz ABBJGWSFAACZDO-GIWBLDEGSA-N 0 1 464.905 4.414 40 10 JICBMN Cc1nn(-c2cccc3ccccc32)c(C)c1/C=C1/C(=O)NC(=O)N(CCc2ccccc2)C1=O ZINC000408758348 570036206 /nfs/dbraw/zinc/03/62/06/570036206.db2.gz YJLITKAJISAYNQ-JJIBRWJFSA-N 0 1 464.525 4.347 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)cc1 ZINC000408780300 570041426 /nfs/dbraw/zinc/04/14/26/570041426.db2.gz ATYMQDMBZUZXNG-FOWTUZBSSA-N 0 1 476.539 4.147 40 10 JICBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1 ZINC000408960863 570085760 /nfs/dbraw/zinc/08/57/60/570085760.db2.gz OYIHAUBKRVCDTF-CPNJWEJPSA-N 0 1 470.392 4.271 40 10 JICBMN C=C1N=C(SCC(=O)Nc2ccccc2C)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408989538 570093493 /nfs/dbraw/zinc/09/34/93/570093493.db2.gz LBYRHGXGKMATPJ-QHCPKHFHSA-N 0 1 466.607 4.270 40 10 JICBMN Cc1nnc(Sc2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)cc2[N+](=O)[O-])s1 ZINC000408992043 570094357 /nfs/dbraw/zinc/09/43/57/570094357.db2.gz QFXAYKNNQUMSRJ-OQLLNIDSSA-N 0 1 497.583 4.046 40 10 JICBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCC)c(Cl)c3)C2=O)cc1OC ZINC000409141884 570144989 /nfs/dbraw/zinc/14/49/89/570144989.db2.gz JLIZGAQMUIVHFJ-GZTJUZNOSA-N 0 1 472.925 4.198 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1O ZINC000409148454 570148116 /nfs/dbraw/zinc/14/81/16/570148116.db2.gz PVMPMFVKIIVZKF-RIYZIHGNSA-N 0 1 475.364 4.002 40 10 JICBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c1C ZINC000409229406 570177150 /nfs/dbraw/zinc/17/71/50/570177150.db2.gz ONQKXGZDQSUHHY-KGENOOAVSA-N 0 1 487.581 4.329 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(C)n1-c1ccccn1 ZINC000409230621 570177658 /nfs/dbraw/zinc/17/76/58/570177658.db2.gz DMERFGHVMUNADN-LDADJPATSA-N 0 1 495.402 4.391 40 10 JICBMN CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000409231945 570178199 /nfs/dbraw/zinc/17/81/99/570178199.db2.gz GLHVZTLRSVDAKY-NBVRZTHBSA-N 0 1 450.951 4.028 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000409232497 570178311 /nfs/dbraw/zinc/17/83/11/570178311.db2.gz ISMGWPZNIHBMRX-OEAKJJBVSA-N 0 1 486.597 4.148 40 10 JICBMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409244555 570183494 /nfs/dbraw/zinc/18/34/94/570183494.db2.gz FKWVHNZWNPCAII-RIYZIHGNSA-N 0 1 465.756 4.251 40 10 JICBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Cl)c1OCC(=O)OC ZINC000059136296 195391280 /nfs/dbraw/zinc/39/12/80/195391280.db2.gz JAWNCIQTHRDHPQ-MDWZMJQESA-N 0 1 492.912 4.101 40 10 JICBMN CCOc1cccc(N2C(=O)/C(=C/c3cccn3-c3ccc(Br)cc3)C(=O)NC2=S)c1 ZINC000059248981 195396175 /nfs/dbraw/zinc/39/61/75/195396175.db2.gz YNMVDFZEQPXNRL-XSFVSMFZSA-N 0 1 496.386 4.470 40 10 JICBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)o2)cc1 ZINC000095925754 129933218 /nfs/dbraw/zinc/93/32/18/129933218.db2.gz RDKYELOBOPYOIT-XSFVSMFZSA-N 0 1 460.511 4.263 40 10 JICBMN O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000008820494 554707288 /nfs/dbraw/zinc/70/72/88/554707288.db2.gz IQSDABLLXAKAII-DURWOYGOSA-N 0 1 469.544 4.477 40 10 JICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000009295772 555072211 /nfs/dbraw/zinc/07/22/11/555072211.db2.gz OGIMDKRGNZLECK-FMIVXFBMSA-N 0 1 451.331 4.232 40 10 JICBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl ZINC000059536473 569606666 /nfs/dbraw/zinc/60/66/66/569606666.db2.gz LSSTXCXOQQSOTO-UHFFFAOYSA-N 0 1 469.708 4.374 40 10 JICBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000033430502 569626264 /nfs/dbraw/zinc/62/62/64/569626264.db2.gz VVSRYFWRYCHEOB-FYJGNVAPSA-N 0 1 491.931 4.136 40 10 JICBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101144346 569784441 /nfs/dbraw/zinc/78/44/41/569784441.db2.gz NCMVZFVLJJQUDY-VJBWXMMDSA-N 0 1 492.919 4.365 40 10 JICBMN COc1cccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000102744725 569819669 /nfs/dbraw/zinc/81/96/69/569819669.db2.gz JAIXRIXGWKMHOY-JAXLGGSGSA-N 0 1 495.329 4.214 40 10 JICBMN CN1C[C@H](c2cccs2)[C@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12c1ccccc1N(C)C2=O ZINC000102774074 569823515 /nfs/dbraw/zinc/82/35/15/569823515.db2.gz DUBALWYGBWSREQ-UOKFIYJESA-N 0 1 495.651 4.041 40 10 JICBMN COc1ccccc1Oc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)cn1 ZINC000105323556 569852809 /nfs/dbraw/zinc/85/28/09/569852809.db2.gz MWLPYVUUNHYOOE-QINSGFPZSA-N 0 1 498.923 4.419 40 10 JICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCC(=O)Nc1ccccc1C ZINC000108175477 569858905 /nfs/dbraw/zinc/85/89/05/569858905.db2.gz XOSOKFALFIKZAO-KQWNVCNZSA-N 0 1 497.551 4.211 40 10 JICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000408601937 569969295 /nfs/dbraw/zinc/96/92/95/569969295.db2.gz MHJBJYAOWGQOSZ-PTNGSMBKSA-N 0 1 453.863 4.340 40 10 JICBMN CCCCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)o2)cc1 ZINC000408694715 570017175 /nfs/dbraw/zinc/01/71/75/570017175.db2.gz LUTJKQFXTVDGJM-HMMYKYKNSA-N 0 1 450.491 4.308 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)c(O)c1 ZINC000408742685 570032670 /nfs/dbraw/zinc/03/26/70/570032670.db2.gz SACLJMWDHUNYLM-GZTJUZNOSA-N 0 1 488.407 4.141 40 10 JICBMN CCOc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)cc1 ZINC000408771504 570039050 /nfs/dbraw/zinc/03/90/50/570039050.db2.gz GVUROKOJACPNSX-DEDYPNTBSA-N 0 1 490.497 4.012 40 10 JICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2cccc(C)c2)c1 ZINC000408877754 570061836 /nfs/dbraw/zinc/06/18/36/570061836.db2.gz UIFMFEMIGADJMO-HMAPJEAMSA-N 0 1 458.539 4.414 40 10 JICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408880115 570062722 /nfs/dbraw/zinc/06/27/22/570062722.db2.gz FUUZYWHNJBOHNO-BKUYFWCQSA-N 0 1 489.509 4.014 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)C(=O)NC2=S)cc1C ZINC000408954181 570084567 /nfs/dbraw/zinc/08/45/67/570084567.db2.gz RSOOQULRXNCSBL-WUXMJOGZSA-N 0 1 484.169 4.253 40 10 JICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1cccc(Br)c1 ZINC000409020427 570102834 /nfs/dbraw/zinc/10/28/34/570102834.db2.gz PDUPLNPNFHCZQI-QGOAFFKASA-N 0 1 452.333 4.071 40 10 JICBMN COc1cc(N2CCCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409064616 570115882 /nfs/dbraw/zinc/11/58/82/570115882.db2.gz ICJMFQVZFOISBL-QGOAFFKASA-N 0 1 469.994 4.479 40 10 JICBMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409114027 570133209 /nfs/dbraw/zinc/13/32/09/570133209.db2.gz ICBXBCQJNZTENX-UKTHLTGXSA-N 0 1 465.756 4.251 40 10 JICBMN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c1C ZINC000409131339 570140283 /nfs/dbraw/zinc/14/02/83/570140283.db2.gz VMDKKEHDENGSBF-KGENOOAVSA-N 0 1 487.581 4.329 40 10 JICBMN CCN(C(=O)c1cn[nH]c1[C@@H]1CCN(C(=O)c2ccccc2C[NH+]2CCCC2)C1)c1ccccc1 ZINC000257307757 570140673 /nfs/dbraw/zinc/14/06/73/570140673.db2.gz TTZLHAWUPHUSGD-JOCHJYFZSA-N 0 1 471.605 4.302 40 10 JICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1OCc1ccccc1 ZINC000409173676 570155863 /nfs/dbraw/zinc/15/58/63/570155863.db2.gz QAYSTSPDDXSFOS-XMHGGMMESA-N 0 1 474.538 4.114 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(N3CCCC3)c3ccccc23)C(=O)NC1=S ZINC000409175044 570156496 /nfs/dbraw/zinc/15/64/96/570156496.db2.gz YMLRIIWXPFLMOW-CAPFRKAQSA-N 0 1 457.555 4.280 40 10 JICBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OC)c(Cl)c3)C2=O)cc1OCC ZINC000409192757 570162495 /nfs/dbraw/zinc/16/24/95/570162495.db2.gz ANBPHXMONKEXBU-GZTJUZNOSA-N 0 1 472.925 4.198 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(OC)c1 ZINC000409237868 570180680 /nfs/dbraw/zinc/18/06/80/570180680.db2.gz JFSIZNJHNGXELL-KGENOOAVSA-N 0 1 451.592 4.496 40 10 JICBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Br)c1OC ZINC000409238824 570180993 /nfs/dbraw/zinc/18/09/93/570180993.db2.gz MBGUCOYJHJRBAP-MLPAPPSSSA-N 0 1 495.782 4.259 40 10 JICBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Br)c2)C(=O)NC1=S ZINC000409239513 570181299 /nfs/dbraw/zinc/18/12/99/570181299.db2.gz NKKQBKVAFNNZKK-XNTDXEJSSA-N 0 1 459.365 4.376 40 10 JICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc1OCc1ccccc1 ZINC000409249595 570185400 /nfs/dbraw/zinc/18/54/00/570185400.db2.gz NPVMOAZIVITACJ-XSFVSMFZSA-N 0 1 458.539 4.414 40 10 JICBMN COc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1OC ZINC000409250018 570185497 /nfs/dbraw/zinc/18/54/97/570185497.db2.gz VTJMVBFXCZXJMT-AWNIVKPZSA-N 0 1 470.856 4.207 40 10 JICBMN Cc1cccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)c2)c1C ZINC000409258264 570187179 /nfs/dbraw/zinc/18/71/79/570187179.db2.gz SKCWIHIXUJHNNX-JCMHNJIXSA-N 0 1 485.565 4.152 40 10 JICBMN COc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)c(Br)cc1OC(C)=O ZINC000059136140 195391184 /nfs/dbraw/zinc/39/11/84/195391184.db2.gz BEKJOCPBUUCJKJ-KPKJPENVSA-N 0 1 493.310 4.194 40 10 JICBMN CCOC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=O)N(Cc4ccco4)C3=O)c2C)cc1 ZINC000033417719 521461972 /nfs/dbraw/zinc/46/19/72/521461972.db2.gz XLXSVYHQWFFRHB-FYJGNVAPSA-N 0 1 461.474 4.366 40 10 JICBMN COc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000016195688 521962794 /nfs/dbraw/zinc/96/27/94/521962794.db2.gz BSRTYQXOHMXTGL-XDHOZWIPSA-N 0 1 479.330 4.498 40 10 JICBMN CCN(CC)C(=O)Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21 ZINC000005946925 554497623 /nfs/dbraw/zinc/49/76/23/554497623.db2.gz SCOGNOIWQUYOPH-XSFVSMFZSA-N 0 1 450.539 4.145 40 10 JICBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccc(C)cc1 ZINC000033430500 569626229 /nfs/dbraw/zinc/62/62/29/569626229.db2.gz VVSRYFWRYCHEOB-BKUYFWCQSA-N 0 1 491.931 4.136 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccc(Cl)cc1 ZINC000033672252 569630464 /nfs/dbraw/zinc/63/04/64/569630464.db2.gz XQGMIZYTFDHNGR-STZFKDTASA-N 0 1 491.931 4.218 40 10 JICBMN COc1cccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc(Br)cc1 ZINC000033751085 569633511 /nfs/dbraw/zinc/63/35/11/569633511.db2.gz JADYFNWLBVWCCN-ZHZULCJRSA-N 0 1 479.330 4.498 40 10 JICBMN COc1cccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000102744731 569819622 /nfs/dbraw/zinc/81/96/22/569819622.db2.gz JAIXRIXGWKMHOY-RZUBCFFCSA-N 0 1 495.329 4.214 40 10 JICBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000107701688 569857065 /nfs/dbraw/zinc/85/70/65/569857065.db2.gz GOJFPEYFWIKEDC-XDHOZWIPSA-N 0 1 481.302 4.283 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1F ZINC000408692271 570015321 /nfs/dbraw/zinc/01/53/21/570015321.db2.gz IWUNJXICSYCWRP-CPNJWEJPSA-N 0 1 452.482 4.208 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc(F)c1 ZINC000408692101 570015372 /nfs/dbraw/zinc/01/53/72/570015372.db2.gz DMVAWAFRSUGAKE-VCHYOVAHSA-N 0 1 472.900 4.471 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1O[C@H](C)CC ZINC000408693877 570016460 /nfs/dbraw/zinc/01/64/60/570016460.db2.gz AIBUHXPBGFCTNV-BVTUPMQUSA-N 0 1 479.371 4.430 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(OC)c1 ZINC000408739757 570031656 /nfs/dbraw/zinc/03/16/56/570031656.db2.gz ABRWLNGNHNKJSE-LDADJPATSA-N 0 1 488.407 4.135 40 10 JICBMN O=C1NC(=O)C(=Cc2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)C(=O)N1 ZINC000408806111 570047557 /nfs/dbraw/zinc/04/75/57/570047557.db2.gz AHPKTUOJZSHQEZ-UHFFFAOYSA-N 0 1 470.106 4.084 40 10 JICBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1cc(Br)c(Br)o1 ZINC000408951009 570084151 /nfs/dbraw/zinc/08/41/51/570084151.db2.gz HGCCOGHPZMIGMJ-BJMVGYQFSA-N 0 1 490.560 4.289 40 10 JICBMN C=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408993776 570095027 /nfs/dbraw/zinc/09/50/27/570095027.db2.gz XLDNNHZEIPSZBE-OAQYLSRUSA-N 0 1 454.552 4.432 40 10 JICBMN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)o1 ZINC000409123107 570136614 /nfs/dbraw/zinc/13/66/14/570136614.db2.gz DUNIPJDNNGORHJ-LDADJPATSA-N 0 1 477.498 4.312 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc(Br)c1OC ZINC000409127574 570138688 /nfs/dbraw/zinc/13/86/88/570138688.db2.gz DGMVTIREWNHNHT-OQLLNIDSSA-N 0 1 489.391 4.305 40 10 JICBMN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C)c2C)C1=O ZINC000409133190 570141140 /nfs/dbraw/zinc/14/11/40/570141140.db2.gz ZZXJWDYUZCLPOJ-LFIBNONCSA-N 0 1 459.365 4.296 40 10 JICBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3ccc(OCCC)c(OCC)c3)C2=O)cc1OC ZINC000409144045 570145984 /nfs/dbraw/zinc/14/59/84/570145984.db2.gz DMELBOWGTMRLCO-XSFVSMFZSA-N 0 1 496.560 4.334 40 10 JICBMN CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409146830 570147411 /nfs/dbraw/zinc/14/74/11/570147411.db2.gz SYLQMCFEAASQMP-OQLLNIDSSA-N 0 1 489.391 4.305 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)NC1=S ZINC000409174016 570156099 /nfs/dbraw/zinc/15/60/99/570156099.db2.gz PRMUJKBFHWKAHY-ATVHPVEESA-N 0 1 463.471 4.003 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc(Cl)c1OC(C)C ZINC000409174922 570156425 /nfs/dbraw/zinc/15/64/25/570156425.db2.gz VTPBNMINCVTBBE-XNTDXEJSSA-N 0 1 474.966 4.366 40 10 JICBMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)s1 ZINC000260761200 570156958 /nfs/dbraw/zinc/15/69/58/570156958.db2.gz FWFLUYMEGSPYCA-WMZOPIPTSA-N 0 1 499.662 4.375 40 10 JICBMN Cc1ccccc1OCCn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 ZINC000409194293 570162950 /nfs/dbraw/zinc/16/29/50/570162950.db2.gz JOCORRAPPCTWHR-JWGURIENSA-N 0 1 457.530 4.433 40 10 JICBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(C3CCCCC3)C2=O)c1C ZINC000409201832 570165659 /nfs/dbraw/zinc/16/56/59/570165659.db2.gz YNBFLPVWEZCOAM-XDHOZWIPSA-N 0 1 483.590 4.354 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c(Br)cc1O ZINC000409221133 570174456 /nfs/dbraw/zinc/17/44/56/570174456.db2.gz LHVSGAUMGSDRPN-OVCLIPMQSA-N 0 1 475.364 4.118 40 10 JICBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c1 ZINC000409231110 570177772 /nfs/dbraw/zinc/17/77/72/570177772.db2.gz HKAZVBJKGKGYGC-KGENOOAVSA-N 0 1 473.554 4.020 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)cc1 ZINC000409231709 570178056 /nfs/dbraw/zinc/17/80/56/570178056.db2.gz LONJPKNQKLAWKR-HYARGMPZSA-N 0 1 487.581 4.329 40 10 JICBMN Cc1cccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1C ZINC000409258658 570187275 /nfs/dbraw/zinc/18/72/75/570187275.db2.gz YNZAEVOKKAHBRR-QNGOZBTKSA-N 0 1 485.565 4.152 40 10 JICBMN Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)cc2)c1C ZINC000409261906 570187618 /nfs/dbraw/zinc/18/76/18/570187618.db2.gz FTTAMDHBZRCSSX-JCMHNJIXSA-N 0 1 485.565 4.152 40 10 JICBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc(Br)c1O ZINC000059135792 195390586 /nfs/dbraw/zinc/39/05/86/195390586.db2.gz JPWUJPVLJMILTD-YRNVUSSQSA-N 0 1 465.300 4.364 40 10 JICBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C(=O)NC2=S)cc1 ZINC000006645249 554557463 /nfs/dbraw/zinc/55/74/63/554557463.db2.gz GKYICJPKQOVFQI-BOPFTXTBSA-N 0 1 483.889 4.348 40 10 JICBMN COC(=O)c1ccccc1-n1c(C)cc(/C=C2/C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c1C ZINC000015013145 555855200 /nfs/dbraw/zinc/85/52/00/555855200.db2.gz LWQNPZGMBYMBQB-HMAPJEAMSA-N 0 1 487.581 4.329 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(C)cc1 ZINC000034863687 569667900 /nfs/dbraw/zinc/66/79/00/569667900.db2.gz DDVMSJRDBFNJMU-BKUYFWCQSA-N 0 1 473.485 4.342 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000408692219 570015324 /nfs/dbraw/zinc/01/53/24/570015324.db2.gz HJUONTFINHMSMQ-WOJGMQOQSA-N 0 1 499.361 4.441 40 10 JICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc(Br)cc1 ZINC000408694791 570017297 /nfs/dbraw/zinc/01/72/97/570017297.db2.gz MPZDRJNIZUHFRO-CPNJWEJPSA-N 0 1 469.335 4.433 40 10 JICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1Br ZINC000408741726 570032406 /nfs/dbraw/zinc/03/24/06/570032406.db2.gz NLJNEIIYDRAFIN-NTUHNPAUSA-N 0 1 496.180 4.052 40 10 JICBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)cc1 ZINC000408786892 570043243 /nfs/dbraw/zinc/04/32/43/570043243.db2.gz PABPGLWEVBKNIQ-DEDYPNTBSA-N 0 1 474.498 4.176 40 10 JICBMN CCOC(=O)Cn1c(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c2ccccc21 ZINC000408808725 570048401 /nfs/dbraw/zinc/04/84/01/570048401.db2.gz FITMQRVUHFNUFD-XDHOZWIPSA-N 0 1 495.988 4.306 40 10 JICBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)C(=O)NC2=S)c1 ZINC000408949853 570084012 /nfs/dbraw/zinc/08/40/12/570084012.db2.gz CNPLJGXXXRFXAM-WUXMJOGZSA-N 0 1 484.169 4.253 40 10 JICBMN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O ZINC000408962587 570086551 /nfs/dbraw/zinc/08/65/51/570086551.db2.gz ZNRPASRKEGQABO-CPNJWEJPSA-N 0 1 484.419 4.497 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C(F)(F)F)c3)C(=O)NC2=S)cc1 ZINC000409013940 570100463 /nfs/dbraw/zinc/10/04/63/570100463.db2.gz OUUAJWDFYYMING-CPNJWEJPSA-N 0 1 471.460 4.336 40 10 JICBMN O=C1NC(=S)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000409022576 570103353 /nfs/dbraw/zinc/10/33/53/570103353.db2.gz YLWQQFKXKZNIGC-MHWRWJLKSA-N 0 1 471.853 4.479 40 10 JICBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)o2)c(C)c1 ZINC000409128303 570139096 /nfs/dbraw/zinc/13/90/96/570139096.db2.gz FBUQHJCHNUSBNA-DEDYPNTBSA-N 0 1 474.538 4.490 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)c(C)c1 ZINC000409133148 570141028 /nfs/dbraw/zinc/14/10/28/570141028.db2.gz OWKJROSFYBUUOJ-LZYBPNLTSA-N 0 1 454.349 4.379 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4C)C3=O)c2C)cc1 ZINC000409134590 570141666 /nfs/dbraw/zinc/14/16/66/570141666.db2.gz WMAFLGRNIGBOOY-HYARGMPZSA-N 0 1 487.581 4.329 40 10 JICBMN CCCOc1cccc(/C=C2/C(=O)NC(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)c1 ZINC000409191453 570162145 /nfs/dbraw/zinc/16/21/45/570162145.db2.gz HWLXIZVZIJIGAX-QNGOZBTKSA-N 0 1 466.534 4.325 40 10 JICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1Br ZINC000409231222 570177794 /nfs/dbraw/zinc/17/77/94/570177794.db2.gz IWVRFWCARKKVTK-NTUHNPAUSA-N 0 1 465.756 4.251 40 10 JICBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000409233224 570178577 /nfs/dbraw/zinc/17/85/77/570178577.db2.gz DSSHJERMXFUGCY-PTNGSMBKSA-N 0 1 453.863 4.340 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cc(C)ccn1 ZINC000409232984 570178593 /nfs/dbraw/zinc/17/85/93/570178593.db2.gz JJJHLYSOVRKKTE-SFQUDFHCSA-N 0 1 450.951 4.282 40 10 JICBMN Cc1ccc(C)c(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)c1 ZINC000409235939 570179763 /nfs/dbraw/zinc/17/97/63/570179763.db2.gz QQRYSSKXBLPZCH-LZYBPNLTSA-N 0 1 454.349 4.379 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Br)c1O ZINC000409237131 570180195 /nfs/dbraw/zinc/18/01/95/570180195.db2.gz JJAAFMCMUZYETP-RIYZIHGNSA-N 0 1 475.364 4.002 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000409237405 570180402 /nfs/dbraw/zinc/18/04/02/570180402.db2.gz ILSWGMRHGTYMKK-PXLXIMEGSA-N 0 1 458.587 4.300 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(Br)cc1OC ZINC000409240500 570181780 /nfs/dbraw/zinc/18/17/80/570181780.db2.gz UDSDUJRSUZVAEM-OQLLNIDSSA-N 0 1 489.391 4.305 40 10 JICBMN CCOc1cc(Cl)c(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409246692 570184434 /nfs/dbraw/zinc/18/44/34/570184434.db2.gz AKVDBEBERQNZHB-XYOKQWHBSA-N 0 1 451.331 4.232 40 10 JICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(OCC)c1 ZINC000409247744 570184852 /nfs/dbraw/zinc/18/48/52/570184852.db2.gz NNWUPWZXEMLMGT-LICLKQGHSA-N 0 1 464.465 4.334 40 10 JICBMN CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409249568 570185463 /nfs/dbraw/zinc/18/54/63/570185463.db2.gz UTRGEAOQHNNEAS-OQLLNIDSSA-N 0 1 489.391 4.305 40 10 JICBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)c1 ZINC000409251962 570186015 /nfs/dbraw/zinc/18/60/15/570186015.db2.gz RMFHWRNNMQKXJJ-CPNJWEJPSA-N 0 1 493.972 4.365 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc(Br)c1O ZINC000409255595 570186754 /nfs/dbraw/zinc/18/67/54/570186754.db2.gz ZBEKGSPKLKNKFA-YRNVUSSQSA-N 0 1 481.755 4.038 40 10 JICBMN Cc1[nH]n(-c2ccc(Br)cc2C)c(=O)c1C=Nc1nnc(-c2ccccc2)s1 ZINC000408534360 570189521 /nfs/dbraw/zinc/18/95/21/570189521.db2.gz QPODFRZZGZOIFE-WJDWOHSUSA-N 0 1 454.353 4.995 40 10 JICBMN O=C1NC(=S)N(c2ccc(Cl)c(Cl)c2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000001097481 194023375 /nfs/dbraw/zinc/02/33/75/194023375.db2.gz RYYIRFWZNUQSNA-MHWRWJLKSA-N 0 1 458.326 4.321 40 10 JICBMN O=C1NC(=S)N(c2ccccc2F)C(=O)C1=Cc1ccc(I)cc1 ZINC000059135791 195390551 /nfs/dbraw/zinc/39/05/51/195390551.db2.gz RVKIGXNOYCMRHC-FMIVXFBMSA-N 0 1 452.248 4.102 40 10 JICBMN COc1cc(OC)c([N+](=O)[O-])cc1C=C1C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000059198498 195394849 /nfs/dbraw/zinc/39/48/49/195394849.db2.gz NMFGJVXSGPOGHB-QPEQYQDCSA-N 0 1 492.307 4.046 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)o3)C(=O)NC2=S)c(OC)c1 ZINC000059594727 569607003 /nfs/dbraw/zinc/60/70/03/569607003.db2.gz SCTVFVKBLIZRKF-SFQUDFHCSA-N 0 1 466.540 4.279 40 10 JICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1ccc2c(c1)OCO2 ZINC000033524938 569627315 /nfs/dbraw/zinc/62/73/15/569627315.db2.gz JQBFZUNSGMALBY-UNOMPAQXSA-N 0 1 493.313 4.218 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1 ZINC000035103640 569674914 /nfs/dbraw/zinc/67/49/14/569674914.db2.gz BZICHMYISDNCSN-MOSHPQCFSA-N 0 1 491.931 4.218 40 10 JICBMN O=C(COc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Cl)Nc1ccc(Cl)cc1 ZINC000035316280 569680570 /nfs/dbraw/zinc/68/05/70/569680570.db2.gz IEMNAWTUOABJAO-UNOMPAQXSA-N 0 1 482.323 4.472 40 10 JICBMN CCc1ccc(N2C(=O)/C(=C/c3ccc(OCC(=O)Nc4ccc(C)cc4)cc3)C(=O)NC2=S)cc1 ZINC000107838574 569857595 /nfs/dbraw/zinc/85/75/95/569857595.db2.gz POEJSDAXCDLVGM-LFVJCYFKSA-N 0 1 499.592 4.406 40 10 JICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc(Br)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000108954050 569860027 /nfs/dbraw/zinc/86/00/27/569860027.db2.gz DNQFXGKBRKIZNJ-MOSHPQCFSA-N 0 1 494.301 4.398 40 10 JICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000408602964 569969833 /nfs/dbraw/zinc/96/98/33/569969833.db2.gz PIAKNWGBSITEJD-WJDWOHSUSA-N 0 1 453.863 4.340 40 10 JICBMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)s1 ZINC000225226271 569984018 /nfs/dbraw/zinc/98/40/18/569984018.db2.gz HWZJWGAZXMOYPG-GOSISDBHSA-N 0 1 499.662 4.375 40 10 JICBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408740058 570031802 /nfs/dbraw/zinc/03/18/02/570031802.db2.gz IBUXUMKJZJCIDN-QFIPXVFZSA-N 0 1 464.481 4.152 40 10 JICBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(Br)cc1 ZINC000408743138 570032819 /nfs/dbraw/zinc/03/28/19/570032819.db2.gz UVLUIUUOTAFDFN-RIYZIHGNSA-N 0 1 466.154 4.043 40 10 JICBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)NC2=S)cc1 ZINC000408765690 570037910 /nfs/dbraw/zinc/03/79/10/570037910.db2.gz NGJULCJDBVSKBE-STZFKDTASA-N 0 1 492.940 4.399 40 10 JICBMN Cc1ccccc1N1C(=O)/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)NC1=S ZINC000408785755 570042902 /nfs/dbraw/zinc/04/29/02/570042902.db2.gz YVJOSFPAKAOKII-NTCAYCPXSA-N 0 1 460.540 4.447 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)o1 ZINC000408806243 570047491 /nfs/dbraw/zinc/04/74/91/570047491.db2.gz AHJSGPMFUMRTIY-RVDMUPIBSA-N 0 1 462.369 4.028 40 10 JICBMN O=C1NC(=S)N(c2cccc(Cl)c2Cl)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000408854944 570056280 /nfs/dbraw/zinc/05/62/80/570056280.db2.gz KZMYEQUEDVMVCS-JXMROGBWSA-N 0 1 456.694 4.386 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)c(C)c1 ZINC000408933389 570080821 /nfs/dbraw/zinc/08/08/21/570080821.db2.gz JFHRINSSDFKVLS-HYARGMPZSA-N 0 1 487.581 4.329 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5ncccc5c4)c3C)C(=O)NC2=S)cc1 ZINC000408966016 570087471 /nfs/dbraw/zinc/08/74/71/570087471.db2.gz KZRFNDQCXADZMO-HZHRSRAPSA-N 0 1 482.565 4.482 40 10 JICBMN CCOc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(Br)c3)C(=O)NC2=S)cc1 ZINC000409009142 570098991 /nfs/dbraw/zinc/09/89/91/570098991.db2.gz BQTLMEIEELTVDD-XSFVSMFZSA-N 0 1 496.386 4.470 40 10 JICBMN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)c2C)cc1 ZINC000409022234 570103261 /nfs/dbraw/zinc/10/32/61/570103261.db2.gz KJMWIHGHEPTGEP-LPYMAVHISA-N 0 1 491.544 4.241 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4F)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409098817 570127571 /nfs/dbraw/zinc/12/75/71/570127571.db2.gz MCSSEKDZTKVRLK-LDADJPATSA-N 0 1 479.533 4.082 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409134196 570141519 /nfs/dbraw/zinc/14/15/19/570141519.db2.gz NDHKZTDEKNLYGM-RGVLZGJSSA-N 0 1 473.554 4.271 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)NC1=S ZINC000409171424 570155009 /nfs/dbraw/zinc/15/50/09/570155009.db2.gz BBQZEOYGPQSNLU-RVDMUPIBSA-N 0 1 483.889 4.348 40 10 JICBMN CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1 ZINC000409184112 570160346 /nfs/dbraw/zinc/16/03/46/570160346.db2.gz IUEZTPWCGQXLRH-XNTDXEJSSA-N 0 1 493.368 4.155 40 10 JICBMN COc1cc(/C=C2/SC(=S)N(c3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409193447 570162725 /nfs/dbraw/zinc/16/27/25/570162725.db2.gz CWZQLMSCOHMVAZ-VGOFMYFVSA-N 0 1 467.322 4.477 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409198495 570164235 /nfs/dbraw/zinc/16/42/35/570164235.db2.gz GPYOGCABKRHGKC-VRGVINSPSA-N 0 1 478.401 4.422 40 10 JICBMN COc1cc(N2CCCC2)c(OC)cc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409227843 570176408 /nfs/dbraw/zinc/17/64/08/570176408.db2.gz RUOXGCXDFKFFIG-LICLKQGHSA-N 0 1 485.993 4.097 40 10 JICBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)c2C)c1 ZINC000409235940 570179787 /nfs/dbraw/zinc/17/97/87/570179787.db2.gz DIJDGIGYYWZFMQ-HYARGMPZSA-N 0 1 487.581 4.329 40 10 JICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1ccccc1F ZINC000409239900 570181450 /nfs/dbraw/zinc/18/14/50/570181450.db2.gz NZWGEBYEKBIFMK-FOWTUZBSSA-N 0 1 459.424 4.467 40 10 JICBMN COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(C)c(Cl)c2)C1=O ZINC000409240320 570181617 /nfs/dbraw/zinc/18/16/17/570181617.db2.gz GMZGOAPRCARLRR-WOJGMQOQSA-N 0 1 455.967 4.089 40 10 JICBMN Cc1cc(C)cc(N2C(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1 ZINC000059249748 195396141 /nfs/dbraw/zinc/39/61/41/195396141.db2.gz KRWRIFLGFJGHIK-MHWRWJLKSA-N 0 1 474.380 4.090 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)c(O)c1 ZINC000016678423 520879307 /nfs/dbraw/zinc/87/93/07/520879307.db2.gz RFNLJDYGWASRTG-NYRBROOJSA-N 0 1 465.594 4.305 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1OC ZINC000016576049 521963956 /nfs/dbraw/zinc/96/39/56/521963956.db2.gz GBDCTUKCGKVYAK-TZCPFCGOSA-N 0 1 472.969 4.424 40 10 JICBMN Cc1c(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc2n1Cc1ccccc1F ZINC000009265055 555040619 /nfs/dbraw/zinc/04/06/19/555040619.db2.gz IPYTUGIPQDXPOE-FYJGNVAPSA-N 0 1 457.461 4.392 40 10 JICBMN Cc1cc(O)c(S(=O)(=O)c2ccccc2)c(C)c1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000026786901 556263379 /nfs/dbraw/zinc/26/33/79/556263379.db2.gz UQISSUILSDQUQA-UHFFFAOYSA-N 0 1 451.953 4.296 40 10 JICBMN Cc1cccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)c1C ZINC000059678916 569607440 /nfs/dbraw/zinc/60/74/40/569607440.db2.gz NJZGQKMOJMPXEA-XNTDXEJSSA-N 0 1 474.380 4.090 40 10 JICBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102752239 569821107 /nfs/dbraw/zinc/82/11/07/569821107.db2.gz NCMVZFVLJJQUDY-XPWALMASSA-N 0 1 492.919 4.365 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1O[C@@H](C)CC ZINC000107722686 569857201 /nfs/dbraw/zinc/85/72/01/569857201.db2.gz IYPUYOFHHQMPFT-FMNVXAMXSA-N 0 1 459.340 4.487 40 10 JICBMN COc1ccc(Cl)cc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c1C ZINC000108233413 569859143 /nfs/dbraw/zinc/85/91/43/569859143.db2.gz NVZRSOODBGXZLD-VCHYOVAHSA-N 0 1 453.882 4.011 40 10 JICBMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC(C)CC4)cc3)s2)c1 ZINC000225279650 569987876 /nfs/dbraw/zinc/98/78/76/569987876.db2.gz ZVQCDBSVVYGAAT-SFHVURJKSA-N 0 1 499.662 4.375 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccc(Br)cc1 ZINC000408692723 570015642 /nfs/dbraw/zinc/01/56/42/570015642.db2.gz SYRHUTLZLQTHDU-XDHOZWIPSA-N 0 1 499.361 4.441 40 10 JICBMN Cc1ccc2ccccc2c1COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Br ZINC000408805450 570047235 /nfs/dbraw/zinc/04/72/35/570047235.db2.gz KBWDGTCMLNZDKD-UHFFFAOYSA-N 0 1 465.303 4.239 40 10 JICBMN O=C1NC(=O)C(=Cc2cc(Cl)cc(Cl)c2OCc2ccc(Br)cc2)C(=O)N1 ZINC000409040571 570107488 /nfs/dbraw/zinc/10/74/88/570107488.db2.gz GSSBSOPLVHTPJX-UHFFFAOYSA-N 0 1 470.106 4.084 40 10 JICBMN COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(Cl)c2C)C1=O ZINC000409096109 570126669 /nfs/dbraw/zinc/12/66/69/570126669.db2.gz JLKSLMRMTCLHQF-SFQUDFHCSA-N 0 1 455.967 4.089 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C(=O)NC2=S)c(OC)c1 ZINC000409096498 570126792 /nfs/dbraw/zinc/12/67/92/570126792.db2.gz JXODEHGADWZCHU-GZTJUZNOSA-N 0 1 493.497 4.012 40 10 JICBMN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)o1 ZINC000409129620 570139538 /nfs/dbraw/zinc/13/95/38/570139538.db2.gz UZDNBTOBKXTURW-LDADJPATSA-N 0 1 477.498 4.312 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)C(=O)NC1=S ZINC000409166308 570153397 /nfs/dbraw/zinc/15/33/97/570153397.db2.gz DGLDUPUXTOVSNW-SFQUDFHCSA-N 0 1 451.935 4.279 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)NC1=S ZINC000409166359 570153456 /nfs/dbraw/zinc/15/34/56/570153456.db2.gz FDWZWJFPJWKTKD-FOWTUZBSSA-N 0 1 463.471 4.003 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409193203 570162617 /nfs/dbraw/zinc/16/26/17/570162617.db2.gz FEXUUMSDTYFOQD-BMANGOCTSA-N 0 1 478.401 4.422 40 10 JICBMN CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c2C)cc1 ZINC000409205458 570167039 /nfs/dbraw/zinc/16/70/39/570167039.db2.gz CYMONRPIHWHKLE-KQWNVCNZSA-N 0 1 477.561 4.455 40 10 JICBMN COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000409220785 570174342 /nfs/dbraw/zinc/17/43/42/570174342.db2.gz FTIQBRLGACDXGK-NTUHNPAUSA-N 0 1 485.281 4.308 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409229064 570176946 /nfs/dbraw/zinc/17/69/46/570176946.db2.gz JFKHYEBWXLQWBS-WOJGMQOQSA-N 0 1 450.951 4.282 40 10 JICBMN CC[NH+](CC)c1ccc(-n2c(C)cc(/C=C3\C(=O)[N-]C(=O)N(c4cccnc4)C3=O)c2C)cc1 ZINC000409229523 570177136 /nfs/dbraw/zinc/17/71/36/570177136.db2.gz QLZDIHUNTURWQP-HZHRSRAPSA-N 0 1 457.534 4.002 40 10 JICBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)o2)c(C)c1 ZINC000409243067 570182830 /nfs/dbraw/zinc/18/28/30/570182830.db2.gz VDYGCGIAZDTZST-CPNJWEJPSA-N 0 1 460.511 4.181 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000409243506 570182947 /nfs/dbraw/zinc/18/29/47/570182947.db2.gz RSKSIFSONXJSEN-WOJGMQOQSA-N 0 1 480.933 4.487 40 10 JICBMN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)o1 ZINC000409247068 570184674 /nfs/dbraw/zinc/18/46/74/570184674.db2.gz GDBQWNZXNPQAIW-LDADJPATSA-N 0 1 477.498 4.312 40 10 JICBMN CCn1c2cc(N=Cc3c(C)[nH]n(-c4ccc(C)cc4C)c3=O)c([N+](=O)[O-])cc2n(CC)c1=O ZINC000408526881 570186252 /nfs/dbraw/zinc/18/62/52/570186252.db2.gz DIYWPYSHOISNCW-LGMDPLHJSA-N 0 1 462.510 4.086 40 10 JICBMN Cc1[nH]n(-c2ccc(Br)c(C)c2C)c(=O)c1C=Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] ZINC000408527321 570186444 /nfs/dbraw/zinc/18/64/44/570186444.db2.gz DIDUGTGHAGDVRH-WQLSENKSSA-N 0 1 485.298 4.275 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C(=O)NC2=S)c(OC)c1 ZINC000059594716 195410410 /nfs/dbraw/zinc/41/04/10/195410410.db2.gz ZBKVTPITVQJHTO-WOJGMQOQSA-N 0 1 493.497 4.012 40 10 JICBMN O=C(Cn1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)c2ccccc21)NCc1ccco1 ZINC000009010591 554863997 /nfs/dbraw/zinc/86/39/97/554863997.db2.gz XUFYCNINEYQZPM-FYJGNVAPSA-N 0 1 484.537 4.222 40 10 JICBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000020105176 555638362 /nfs/dbraw/zinc/63/83/62/555638362.db2.gz QUPJWUVSVGYVNG-UHFFFAOYSA-N 0 1 454.935 4.499 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OC(C)(C)C ZINC000033720644 569631820 /nfs/dbraw/zinc/63/18/20/569631820.db2.gz FQHUUZQRRPUQHF-WJDWOHSUSA-N 0 1 459.340 4.487 40 10 JICBMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)s2)cc1 ZINC000223602173 569917529 /nfs/dbraw/zinc/91/75/29/569917529.db2.gz UHDGHTCJQBZWCP-GOSISDBHSA-N 0 1 499.662 4.375 40 10 JICBMN O=C1NC(=O)C(=Cc2cc(Br)ccc2OCc2ccc(Cl)c(Cl)c2)C(=O)N1 ZINC000408814755 570050157 /nfs/dbraw/zinc/05/01/57/570050157.db2.gz ZQDCBCFJVNRADY-UHFFFAOYSA-N 0 1 470.106 4.084 40 10 JICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccc(F)cc2)c1 ZINC000408871149 570059652 /nfs/dbraw/zinc/05/96/52/570059652.db2.gz WESFOTOYYZCNCV-BKUYFWCQSA-N 0 1 462.502 4.245 40 10 JICBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 ZINC000408873009 570060225 /nfs/dbraw/zinc/06/02/25/570060225.db2.gz QSBLLXKLLNSACD-STZFKDTASA-N 0 1 458.539 4.414 40 10 JICBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000408965505 570087250 /nfs/dbraw/zinc/08/72/50/570087250.db2.gz IDDXZNGNBDNTSJ-XNTDXEJSSA-N 0 1 471.853 4.479 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000408965985 570087424 /nfs/dbraw/zinc/08/74/24/570087424.db2.gz KQVRLEOVJZFQKX-CAOOACKPSA-N 0 1 497.935 4.447 40 10 JICBMN C=C1N=C(SCC(=O)Nc2ccccc2C)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408989536 570093484 /nfs/dbraw/zinc/09/34/84/570093484.db2.gz LBYRHGXGKMATPJ-HSZRJFAPSA-N 0 1 466.607 4.270 40 10 JICBMN C=C1N=C(SCC(=O)Nc2cccc(C)c2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408993585 570094837 /nfs/dbraw/zinc/09/48/37/570094837.db2.gz WOSRTXJIOBOMFO-HSZRJFAPSA-N 0 1 466.607 4.270 40 10 JICBMN CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000409015600 570101069 /nfs/dbraw/zinc/10/10/69/570101069.db2.gz SQBQGHSNCZLQJG-CXUHLZMHSA-N 0 1 489.391 4.305 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(F)c4)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409100709 570128267 /nfs/dbraw/zinc/12/82/67/570128267.db2.gz RTEWCDXCBYFKLK-RGVLZGJSSA-N 0 1 479.533 4.082 40 10 JICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1Br ZINC000409140721 570144447 /nfs/dbraw/zinc/14/44/47/570144447.db2.gz SADFOSMURNJVBN-XNTDXEJSSA-N 0 1 459.365 4.296 40 10 JICBMN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)o1 ZINC000409148666 570148261 /nfs/dbraw/zinc/14/82/61/570148261.db2.gz ZKMFCZHUHPDVED-CPNJWEJPSA-N 0 1 460.511 4.181 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409200986 570165270 /nfs/dbraw/zinc/16/52/70/570165270.db2.gz MTRRBVALOZCZFM-JHBOHYQCSA-N 0 1 457.983 4.077 40 10 JICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409221122 570174441 /nfs/dbraw/zinc/17/44/41/570174441.db2.gz LEEZVMDVFNVMGF-MHWRWJLKSA-N 0 1 463.456 4.276 40 10 JICBMN O=C1NC(=S)N(c2ccc(F)cc2)C(=O)C1=CNCCC(c1ccccc1)c1ccccc1 ZINC000001864071 553998279 /nfs/dbraw/zinc/99/82/79/553998279.db2.gz GKQGLNREUZPCGA-HAVVHWLPSA-N 0 1 459.546 4.269 40 10 JICBMN O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cccn1-c1ccc(Br)cc1 ZINC000006457176 554541493 /nfs/dbraw/zinc/54/14/93/554541493.db2.gz CYAKUFKQFGBSPP-VBKFSLOCSA-N 0 1 470.323 4.210 40 10 JICBMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2ccccc21)N1CCCCC1 ZINC000008816243 554698108 /nfs/dbraw/zinc/69/81/08/554698108.db2.gz GQQMDKFFPFYOSB-PXLXIMEGSA-N 0 1 470.529 4.156 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)ccc1OC(=O)c1ccccc1Cl ZINC000020175876 555681936 /nfs/dbraw/zinc/68/19/36/555681936.db2.gz GSGUWBWZAZAPHU-XMHGGMMESA-N 0 1 462.889 4.419 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000014257347 555756789 /nfs/dbraw/zinc/75/67/89/555756789.db2.gz WPFNXTBJPWGTAN-JAIQZWGSSA-N 0 1 480.933 4.487 40 10 JICBMN CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])cc(OC)c1O ZINC000101550110 569801346 /nfs/dbraw/zinc/80/13/46/569801346.db2.gz QAMYDMMEYXBISN-LDADJPATSA-N 0 1 453.451 4.072 40 10 JICBMN O=C(Oc1ccc(Br)cc1/C=C1\C(=O)NN(c2ccccc2)C1=O)c1ccccc1 ZINC000107711904 569857111 /nfs/dbraw/zinc/85/71/11/569857111.db2.gz PHVLBZKSANLERU-XMHGGMMESA-N 0 1 463.287 4.130 40 10 JICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OCC)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000107839451 569857574 /nfs/dbraw/zinc/85/75/74/569857574.db2.gz LJFINSQZXRQCQQ-STZFKDTASA-N 0 1 486.484 4.371 40 10 JICBMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)s2)c1 ZINC000223200283 569903193 /nfs/dbraw/zinc/90/31/93/569903193.db2.gz CZSSFBLXEARASF-MSOLQXFVSA-N 0 1 499.662 4.375 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408773443 570039433 /nfs/dbraw/zinc/03/94/33/570039433.db2.gz KUJNWCXKFZNPKB-UDWIEESQSA-N 0 1 460.515 4.142 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)cc1 ZINC000408781996 570041859 /nfs/dbraw/zinc/04/18/59/570041859.db2.gz UYUGYFDBBXQXOE-FOWTUZBSSA-N 0 1 460.540 4.447 40 10 JICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408872386 570060050 /nfs/dbraw/zinc/06/00/50/570060050.db2.gz MJXFCHOMOAETEN-ZHZULCJRSA-N 0 1 459.483 4.005 40 10 JICBMN CCCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OCC ZINC000408873694 570060438 /nfs/dbraw/zinc/06/04/38/570060438.db2.gz WGLPCEVOVHAMNI-WJDWOHSUSA-N 0 1 489.391 4.468 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(Sc4ccccn4)c([N+](=O)[O-])c3)C(=O)NC2=S)cc1 ZINC000408989476 570093540 /nfs/dbraw/zinc/09/35/40/570093540.db2.gz HVFGMNUNHJYLNK-SFQUDFHCSA-N 0 1 476.539 4.281 40 10 JICBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OCC)C2=O)cc1OC ZINC000409137912 570143126 /nfs/dbraw/zinc/14/31/26/570143126.db2.gz XEFHTKSJCRVARS-QGOAFFKASA-N 0 1 472.925 4.198 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)NC1=S ZINC000409174957 570156384 /nfs/dbraw/zinc/15/63/84/570156384.db2.gz WQMNRAIXUOIJSM-GHRIWEEISA-N 0 1 482.359 4.080 40 10 JICBMN Cc1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)cc1 ZINC000409198518 570164285 /nfs/dbraw/zinc/16/42/85/570164285.db2.gz HFGRWGOHDRYLTN-KQWNVCNZSA-N 0 1 457.530 4.433 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(Br)cc1OC ZINC000409221819 570174744 /nfs/dbraw/zinc/17/47/44/570174744.db2.gz VHJVSUAZXWUTLO-XYOKQWHBSA-N 0 1 495.782 4.341 40 10 JICBMN COC(=O)c1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c1C ZINC000409229209 570176990 /nfs/dbraw/zinc/17/69/90/570176990.db2.gz LGQBJLVHZNGPLV-KGENOOAVSA-N 0 1 487.581 4.329 40 10 JICBMN COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc1Br ZINC000409229225 570177008 /nfs/dbraw/zinc/17/70/08/570177008.db2.gz LRIXBECENYVDJC-CXUHLZMHSA-N 0 1 489.391 4.421 40 10 JICBMN COc1cc(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)c1OC ZINC000409229351 570177086 /nfs/dbraw/zinc/17/70/86/570177086.db2.gz NTVBVSWAFIBQIO-LICLKQGHSA-N 0 1 489.391 4.421 40 10 JICBMN CC(C)c1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)NC2=S)cc1 ZINC000409230058 570177399 /nfs/dbraw/zinc/17/73/99/570177399.db2.gz WRKRGRDASPAZTL-KGENOOAVSA-N 0 1 460.515 4.340 40 10 JICBMN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 ZINC000409230764 570177663 /nfs/dbraw/zinc/17/76/63/570177663.db2.gz GGBACJNDDSNCFJ-FOWTUZBSSA-N 0 1 466.902 4.218 40 10 JICBMN COc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000409233130 570178584 /nfs/dbraw/zinc/17/85/84/570178584.db2.gz QROYBBVHDBMSMF-AWNIVKPZSA-N 0 1 495.782 4.259 40 10 JICBMN COc1ccc2ccc(OC)c(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2c1 ZINC000409233783 570178802 /nfs/dbraw/zinc/17/88/02/570178802.db2.gz XETIJENIDQFXRJ-SFQUDFHCSA-N 0 1 452.919 4.342 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C(C)C)cc3)C2=O)cc(Br)c1O ZINC000409237260 570180231 /nfs/dbraw/zinc/18/02/31/570180231.db2.gz HNLFKJDPDJZTOR-OVCLIPMQSA-N 0 1 475.364 4.118 40 10 JICBMN COc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409244347 570183492 /nfs/dbraw/zinc/18/34/92/570183492.db2.gz BIDRTTNMVQZSDS-WOJGMQOQSA-N 0 1 475.492 4.146 40 10 JICBMN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c1C ZINC000409245318 570183873 /nfs/dbraw/zinc/18/38/73/570183873.db2.gz QTWUDJYTPOAFBW-XDHOZWIPSA-N 0 1 490.541 4.151 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409245879 570184113 /nfs/dbraw/zinc/18/41/13/570184113.db2.gz AIAZEFTUKJLBMK-BKUYFWCQSA-N 0 1 474.542 4.450 40 10 JICBMN O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NC(=S)N(c2ccccc2)C1=O)Nc1ccccc1 ZINC000409256429 570186907 /nfs/dbraw/zinc/18/69/07/570186907.db2.gz OOGGJSMOYVARTL-ZHZULCJRSA-N 0 1 491.956 4.189 40 10 JICBMN CCn1c(=O)n(CC)c2cc(NC=C3C(=O)N(c4ccc(F)cc4)N=C3C)c(Br)cc21 ZINC000408535909 570190145 /nfs/dbraw/zinc/19/01/45/570190145.db2.gz UNXJSTFSRWMNCT-VBKFSLOCSA-N 0 1 486.345 4.463 40 10 JICBMN CCn1c(=O)n(CC)c2cc(N=Cc3c(C)[nH]n(-c4ccc(F)cc4)c3=O)c(Br)cc21 ZINC000408535909 570190147 /nfs/dbraw/zinc/19/01/47/570190147.db2.gz UNXJSTFSRWMNCT-VBKFSLOCSA-N 0 1 486.345 4.463 40 10 JICBMN O=C(NN1C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)SC1=S)c1cccs1 ZINC000409328497 570202962 /nfs/dbraw/zinc/20/29/62/570202962.db2.gz WMGRABMREHYYOD-MHWRWJLKSA-N 0 1 457.514 4.463 40 10 JICBMN Cc1cc(-c2ccc(/C=C3\C(=O)NC(=O)N(Cc4ccco4)C3=O)o2)ccc1Br ZINC000001186887 194064666 /nfs/dbraw/zinc/06/46/66/194064666.db2.gz FSERGKMSIWILLA-MHWRWJLKSA-N 0 1 455.264 4.273 40 10 JICBMN O=C1NC(=S)N(c2ccc(Br)cc2)C(=O)C1=Cc1ccc(Br)o1 ZINC000059198513 195394903 /nfs/dbraw/zinc/39/49/03/195394903.db2.gz CRLSODJFYBMCFG-YRNVUSSQSA-N 0 1 456.115 4.476 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)ccc1OC(=O)CC ZINC000016610012 520628735 /nfs/dbraw/zinc/62/87/35/520628735.db2.gz IXKBPXVSGOZREM-INXOBVBBSA-N 0 1 494.588 4.467 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N([C@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)c(O)c1 ZINC000016678424 520879550 /nfs/dbraw/zinc/87/95/50/520879550.db2.gz RFNLJDYGWASRTG-LWCVGQSXSA-N 0 1 465.594 4.305 40 10 JICBMN C[C@@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000033458384 524090747 /nfs/dbraw/zinc/09/07/47/524090747.db2.gz KIHMDQIEWYZRKI-VYVDHXHBSA-N 0 1 474.517 4.138 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)cc1 ZINC000009260141 555034318 /nfs/dbraw/zinc/03/43/18/555034318.db2.gz REWUZDIRQMLXGX-HMAPJEAMSA-N 0 1 487.581 4.329 40 10 JICBMN CCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)cc1OC ZINC000015010444 555854097 /nfs/dbraw/zinc/85/40/97/555854097.db2.gz PQHZWVQVQQGTCC-ZSOIEALJSA-N 0 1 495.782 4.341 40 10 JICBMN Cc1cc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)ccc1Br ZINC000108352157 569859451 /nfs/dbraw/zinc/85/94/51/569859451.db2.gz NKONLJVCHGYXRF-WQLSENKSSA-N 0 1 468.735 4.294 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccccc1Br ZINC000408691985 570015200 /nfs/dbraw/zinc/01/52/00/570015200.db2.gz ANQDSENNPZCONV-SFQUDFHCSA-N 0 1 456.340 4.261 40 10 JICBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2cc([N+](=O)[O-])ccc2Cl)C(=O)NC1=S ZINC000408740479 570031933 /nfs/dbraw/zinc/03/19/33/570031933.db2.gz GJJJUDWOFLIJSS-MDWZMJQESA-N 0 1 480.727 4.150 40 10 JICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1 ZINC000408870485 570059507 /nfs/dbraw/zinc/05/95/07/570059507.db2.gz FISGAEREPUMASJ-STZFKDTASA-N 0 1 459.483 4.005 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3)C2=O)cc(Cl)c1OC(C)C ZINC000409011521 570099668 /nfs/dbraw/zinc/09/96/68/570099668.db2.gz NRCIQOTVKYTYHQ-LICLKQGHSA-N 0 1 474.966 4.366 40 10 JICBMN O=C(c1coc2ccc([O-])c(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c12)c1ccc(F)cc1 ZINC000257199205 570107528 /nfs/dbraw/zinc/10/75/28/570107528.db2.gz WNFHFICIGHUZFJ-FUHWJXTLSA-N 0 1 458.489 4.290 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409135371 570142024 /nfs/dbraw/zinc/14/20/24/570142024.db2.gz YUMCHSNJGRTTHL-BKUYFWCQSA-N 0 1 474.542 4.450 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(OC(C)C)c(Br)c2)C(=O)NC1=S ZINC000409173913 570155993 /nfs/dbraw/zinc/15/59/93/570155993.db2.gz PAFNGEAMZZHNKR-GXDHUFHOSA-N 0 1 475.364 4.076 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)c2C)cc1 ZINC000409228990 570177004 /nfs/dbraw/zinc/17/70/04/570177004.db2.gz IEAGWBJBEPSZCK-CPNJWEJPSA-N 0 1 493.972 4.365 40 10 JICBMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)o1 ZINC000409239757 570181438 /nfs/dbraw/zinc/18/14/38/570181438.db2.gz QEPARAFEJSNIDS-LDADJPATSA-N 0 1 477.498 4.312 40 10 JICBMN COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)o1 ZINC000409240512 570181775 /nfs/dbraw/zinc/18/17/75/570181775.db2.gz QEJXBHGBBGCMEJ-RVDMUPIBSA-N 0 1 483.889 4.348 40 10 JICBMN O=C(COc1cccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1)Nc1ccccc1Cl ZINC000409258153 570187206 /nfs/dbraw/zinc/18/72/06/570187206.db2.gz RRSNYSBZJTXJEH-RGEXLXHISA-N 0 1 491.956 4.189 40 10 JICBMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)cc1OC ZINC000408549737 570194767 /nfs/dbraw/zinc/19/47/67/570194767.db2.gz XYPGMKYIKQJKRZ-XYOKQWHBSA-N 0 1 451.331 4.150 40 10 JICBMN CCOc1ccc(Br)cc1/C=C1/SC(=S)N(NC(=O)c2cccs2)C1=O ZINC000409328460 570202985 /nfs/dbraw/zinc/20/29/85/570202985.db2.gz VSTCBTWIYKYHEF-NTEUORMPSA-N 0 1 469.407 4.456 40 10 JICBMN COC(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccccc3)C2=O)c2cc(Br)ccc21 ZINC000059087167 195387068 /nfs/dbraw/zinc/38/70/68/195387068.db2.gz BURIQTFCYMQTMA-GIJQJNRQSA-N 0 1 496.317 4.079 40 10 JICBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1cccc([N+](=O)[O-])c1 ZINC000033667863 569630434 /nfs/dbraw/zinc/63/04/34/569630434.db2.gz PZHSPRJLUQLXFC-UDWIEESQSA-N 0 1 479.876 4.297 40 10 JICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccc(C)cc1 ZINC000033722587 569632173 /nfs/dbraw/zinc/63/21/73/569632173.db2.gz OXUSNLPYNVDZBI-NDENLUEZSA-N 0 1 491.931 4.136 40 10 JICBMN Cc1ccccc1N1C(=O)/C(=C\c2cccn2-c2ccc(Br)cc2)C(=O)NC1=S ZINC000100224726 569755801 /nfs/dbraw/zinc/75/58/01/569755801.db2.gz BFKNQIVHSIAYAY-AQTBWJFISA-N 0 1 466.360 4.380 40 10 JICBMN COc1cc(Br)cc(C=C2C(=O)NC(=S)N(c3ccc(Cl)cc3)C2=O)c1O ZINC000038175814 569800041 /nfs/dbraw/zinc/80/00/41/569800041.db2.gz LLYCZPPUEXWITN-NTUHNPAUSA-N 0 1 467.728 4.488 40 10 JICBMN O=C1NC(=O)N(Cc2ccco2)C(=O)/C1=C/c1ccc(OCc2ccccc2)c(Br)c1 ZINC000107616410 569856736 /nfs/dbraw/zinc/85/67/36/569856736.db2.gz DXBJPFYEHIHWID-WOJGMQOQSA-N 0 1 481.302 4.283 40 10 JICBMN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)N(c2ccccc2)C(=O)N(c2ccccc2)C1=O ZINC000408740054 570031775 /nfs/dbraw/zinc/03/17/75/570031775.db2.gz IBUXUMKJZJCIDN-JOCHJYFZSA-N 0 1 464.481 4.152 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cccc(C)c4)C3=O)c2C)cc1 ZINC000408744492 570033061 /nfs/dbraw/zinc/03/30/61/570033061.db2.gz YEKLINYULJADQB-HYARGMPZSA-N 0 1 473.554 4.020 40 10 JICBMN CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)NC2=S)cc1 ZINC000408782594 570042032 /nfs/dbraw/zinc/04/20/32/570042032.db2.gz KVUKOZJYGFKMIY-LPYMAVHISA-N 0 1 474.542 4.396 40 10 JICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccccc2F)c1 ZINC000408889782 570065405 /nfs/dbraw/zinc/06/54/05/570065405.db2.gz JCRBJZVSGVAGRY-MOSHPQCFSA-N 0 1 462.502 4.245 40 10 JICBMN Cc1cc(N2CCCC2)ccc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000408961655 570086088 /nfs/dbraw/zinc/08/60/88/570086088.db2.gz UJQRMWKNFPQIAC-CPNJWEJPSA-N 0 1 470.392 4.189 40 10 JICBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000408963978 570086854 /nfs/dbraw/zinc/08/68/54/570086854.db2.gz AXFHEDLDLLFACN-UVTDQMKNSA-N 0 1 471.853 4.479 40 10 JICBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4)C3=O)c2C)c1 ZINC000408964794 570087092 /nfs/dbraw/zinc/08/70/92/570087092.db2.gz FAKGQDDHVKFTTB-PXLXIMEGSA-N 0 1 473.554 4.102 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 ZINC000408997963 570095730 /nfs/dbraw/zinc/09/57/30/570095730.db2.gz PIBGGWIJIKUMFD-XKZIYDEJSA-N 0 1 463.921 4.418 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 ZINC000409001453 570096490 /nfs/dbraw/zinc/09/64/90/570096490.db2.gz VXMSOTFKTVGVFY-BKUYFWCQSA-N 0 1 476.514 4.245 40 10 JICBMN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(Cc3ccc(OCCC)c(OCC)c3)C2=O)cc1 ZINC000409191845 570162278 /nfs/dbraw/zinc/16/22/78/570162278.db2.gz ORGZALALQHPVTP-RCCKNPSSSA-N 0 1 466.534 4.325 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c(C)n1-c1ccccn1 ZINC000409232070 570178152 /nfs/dbraw/zinc/17/81/52/570178152.db2.gz MWVZECSLUSMZCU-LDADJPATSA-N 0 1 481.375 4.083 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)cc1Cl ZINC000409245685 570184095 /nfs/dbraw/zinc/18/40/95/570184095.db2.gz XNCPGFWZIKUVHD-ZSOIEALJSA-N 0 1 478.799 4.308 40 10 JICBMN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)c1 ZINC000409246517 570184487 /nfs/dbraw/zinc/18/44/87/570184487.db2.gz CEOWISUPXUAIJD-FYJGNVAPSA-N 0 1 487.581 4.329 40 10 JICBMN CC(=C\c1ccccc1)/C=C1\SC(=S)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O ZINC000008820628 554707670 /nfs/dbraw/zinc/70/76/70/554707670.db2.gz UGPZQISPTQCVEC-LDFNIPPCSA-N 0 1 455.517 4.087 40 10 JICBMN CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC ZINC000013679946 555571866 /nfs/dbraw/zinc/57/18/66/555571866.db2.gz OCFIFKQZSYPLQK-UHFFFAOYSA-N 0 1 472.950 4.130 40 10 JICBMN Cc1ccc(NC(=O)COc2ccc(Cl)cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000033547150 569627629 /nfs/dbraw/zinc/62/76/29/569627629.db2.gz YNTGANNGXKPMHM-STZFKDTASA-N 0 1 461.905 4.127 40 10 JICBMN COc1cc(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000033647920 569629570 /nfs/dbraw/zinc/62/95/70/569629570.db2.gz OJYOUGDWNFUOTA-NDENLUEZSA-N 0 1 479.876 4.297 40 10 JICBMN O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21)Nc1ccc(Cl)cc1 ZINC000408695811 570018070 /nfs/dbraw/zinc/01/80/70/570018070.db2.gz ZWOWPCNMQWKILH-FYJGNVAPSA-N 0 1 490.947 4.338 40 10 JICBMN Cc1ccc2ccccc2c1COc1ccc(Br)cc1C=C1C(=O)NC(=O)NC1=O ZINC000408809393 570048643 /nfs/dbraw/zinc/04/86/43/570048643.db2.gz NYZNBXXFTGTXGT-UHFFFAOYSA-N 0 1 465.303 4.239 40 10 JICBMN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1Br ZINC000408851201 570055467 /nfs/dbraw/zinc/05/54/67/570055467.db2.gz ACGHNCNDVSVRTH-UKTHLTGXSA-N 0 1 493.354 4.217 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)C(=O)NC2=S)c(C)c1 ZINC000408951709 570084192 /nfs/dbraw/zinc/08/41/92/570084192.db2.gz JTPAZTKWKGIPED-IZZDOVSWSA-N 0 1 484.169 4.253 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(Br)cc1O ZINC000409065706 570116205 /nfs/dbraw/zinc/11/62/05/570116205.db2.gz IXIMDSVWYQCVDF-KPKJPENVSA-N 0 1 495.782 4.347 40 10 JICBMN CC[C@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1Cl ZINC000409106990 570130555 /nfs/dbraw/zinc/13/05/55/570130555.db2.gz PLXQFTNWEIUXJJ-RKPNYOAGSA-N 0 1 474.966 4.366 40 10 JICBMN Cc1c(Cl)cccc1N1C(=O)/C(=C/c2cccn2-c2ccc(N(C)C)cc2)C(=O)NC1=S ZINC000409117085 570134481 /nfs/dbraw/zinc/13/44/81/570134481.db2.gz NAKUEURRCIPDHM-XMHGGMMESA-N 0 1 464.978 4.336 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)NC1=S ZINC000409168751 570154148 /nfs/dbraw/zinc/15/41/48/570154148.db2.gz SFYRHSBTWHQACN-RVDMUPIBSA-N 0 1 483.889 4.348 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cc(Cl)cc(Cl)c3)C2=O)c(C)n1C[C@@H]1CCCO1 ZINC000409198493 570164267 /nfs/dbraw/zinc/16/42/67/570164267.db2.gz GPYOGCABKRHGKC-CLEFESHVSA-N 0 1 478.401 4.422 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409223893 570175449 /nfs/dbraw/zinc/17/54/49/570175449.db2.gz GMUFALZGLHWXGJ-MOSHPQCFSA-N 0 1 460.515 4.142 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)ccc1OC(C)C ZINC000409251303 570185918 /nfs/dbraw/zinc/18/59/18/570185918.db2.gz UULBLORTMKCEBD-CXUHLZMHSA-N 0 1 464.465 4.333 40 10 JICBMN O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1Cl)Nc1ccccc1 ZINC000409252139 570186041 /nfs/dbraw/zinc/18/60/41/570186041.db2.gz CAPOXZGZSGYAGX-UYRXBGFRSA-N 0 1 491.956 4.189 40 10 JICBMN CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N=Cc3c(C)[nH]n(-c4ccc(Cl)cc4)c3=O)cc21 ZINC000408532185 570188415 /nfs/dbraw/zinc/18/84/15/570188415.db2.gz PWPWXTHWMTWLJS-VBKFSLOCSA-N 0 1 468.901 4.123 40 10 JICBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3cccs3)C2=O)cc(Br)c1OC ZINC000409328428 570202993 /nfs/dbraw/zinc/20/29/93/570202993.db2.gz VBHQGHCULSDGRR-NTEUORMPSA-N 0 1 499.433 4.464 40 10 JICBMN COc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)cc1I ZINC000059135786 195390641 /nfs/dbraw/zinc/39/06/41/195390641.db2.gz UCMRJHWUBZBDFY-DHZHZOJOSA-N 0 1 482.274 4.111 40 10 JICBMN O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc([N+](=O)[O-])cc1O ZINC000009444678 555217862 /nfs/dbraw/zinc/21/78/62/555217862.db2.gz FYJJSJPXJURETO-CXUHLZMHSA-N 0 1 463.924 4.184 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)cc1OC(C)(C)C ZINC000033626831 569629125 /nfs/dbraw/zinc/62/91/25/569629125.db2.gz RPVPCISPQOKMOT-WJDWOHSUSA-N 0 1 459.340 4.487 40 10 JICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCC(=O)Nc1ccccc1C ZINC000033722582 569632079 /nfs/dbraw/zinc/63/20/79/569632079.db2.gz ZKPBALKPYZSUIB-UNOMPAQXSA-N 0 1 491.931 4.136 40 10 JICBMN CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(C)cc3Cl)C2=O)cc([N+](=O)[O-])c1O ZINC000037363807 569784192 /nfs/dbraw/zinc/78/41/92/569784192.db2.gz VYBHLFYXZKRUJL-CXUHLZMHSA-N 0 1 493.950 4.207 40 10 JICBMN O=C(c1ccccc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1 ZINC000225083903 569974022 /nfs/dbraw/zinc/97/40/22/569974022.db2.gz JZKUPTJGCMJOBJ-UHFFFAOYSA-N 0 1 468.918 4.025 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1cccc(F)c1 ZINC000408692124 570015361 /nfs/dbraw/zinc/01/53/61/570015361.db2.gz DWYMXPCCDFZUMP-DEDYPNTBSA-N 0 1 452.482 4.208 40 10 JICBMN CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)NC2=S)c1 ZINC000408743353 570032949 /nfs/dbraw/zinc/03/29/49/570032949.db2.gz VVCUFAFXXVEYRC-WSDLNYQXSA-N 0 1 490.541 4.232 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)cc1 ZINC000408744758 570033232 /nfs/dbraw/zinc/03/32/32/570033232.db2.gz ZURBWSBUNKIYLB-HYARGMPZSA-N 0 1 473.554 4.020 40 10 JICBMN C=C1N=C(SCC(=O)Nc2ccc(C)cc2)N[C@@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408994697 570095070 /nfs/dbraw/zinc/09/50/70/570095070.db2.gz ZQTXYUVDVAREDY-QHCPKHFHSA-N 0 1 466.607 4.270 40 10 JICBMN CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(F)c4)C3=O)o2)cc1 ZINC000409023256 570103628 /nfs/dbraw/zinc/10/36/28/570103628.db2.gz ZRWVQKUMBVCFNS-CPNJWEJPSA-N 0 1 464.474 4.094 40 10 JICBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)cc(Cl)c3OC)C2=O)cc1OC ZINC000409141262 570144696 /nfs/dbraw/zinc/14/46/96/570144696.db2.gz UUKSFLYZVYVBCQ-MHWRWJLKSA-N 0 1 493.343 4.461 40 10 JICBMN COc1ccc(OCCn2cc(/C=C3/C(=O)NC(=O)N(C4CCCC4)C3=O)c3ccccc32)cc1 ZINC000409201692 570165605 /nfs/dbraw/zinc/16/56/05/570165605.db2.gz PEHOCELOLUIUQB-KQWNVCNZSA-N 0 1 473.529 4.133 40 10 JICBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)c1C ZINC000409207659 570167805 /nfs/dbraw/zinc/16/78/05/570167805.db2.gz ZQZSBYKVGOTROM-XDHOZWIPSA-N 0 1 493.610 4.390 40 10 JICBMN COc1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409223311 570175276 /nfs/dbraw/zinc/17/52/76/570175276.db2.gz FETVTOFOKXUZHR-CPNJWEJPSA-N 0 1 471.460 4.336 40 10 JICBMN CN(C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 ZINC000409228257 570176588 /nfs/dbraw/zinc/17/65/88/570176588.db2.gz WMAVEAWUNKODDT-XSFVSMFZSA-N 0 1 484.503 4.393 40 10 JICBMN COc1ccc(Br)cc1/C=C1\C(=O)NC(=S)N(c2cccc(C(F)(F)F)c2)C1=O ZINC000409231098 570177753 /nfs/dbraw/zinc/17/77/53/570177753.db2.gz BLXJKNWXBCDORR-RIYZIHGNSA-N 0 1 485.281 4.308 40 10 JICBMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)o1 ZINC000409250525 570185628 /nfs/dbraw/zinc/18/56/28/570185628.db2.gz MTHZQMUJYWZYNS-SFQUDFHCSA-N 0 1 463.471 4.003 40 10 JICBMN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=S)N(c4ccccc4)C3=O)c2)cc1C ZINC000409262743 570187799 /nfs/dbraw/zinc/18/77/99/570187799.db2.gz JTHIINNVXDMGFK-HAHDFKILSA-N 0 1 485.565 4.152 40 10 JICBMN O=C(Cn1cc(C=C2C(=O)NC(=O)N(C3CCCCC3)C2=O)c2ccccc21)NC1CCCC1 ZINC000059087200 195387507 /nfs/dbraw/zinc/38/75/07/195387507.db2.gz YNLMQGPUEVSMGH-KGENOOAVSA-N 0 1 462.550 4.335 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3cc(Br)c(N4CCCC4)o3)C(=O)NC2=S)cc1C ZINC000059249047 195396069 /nfs/dbraw/zinc/39/60/69/195396069.db2.gz ZGHOMWVQBNYTFG-MHWRWJLKSA-N 0 1 474.380 4.090 40 10 JICBMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccccc3)C2=O)cc(I)c1O ZINC000016688269 520629342 /nfs/dbraw/zinc/62/93/42/520629342.db2.gz AVKTZHDVAISVSD-JYRVWZFOSA-N 0 1 494.310 4.067 40 10 JICBMN CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O ZINC000009262829 520862541 /nfs/dbraw/zinc/86/25/41/520862541.db2.gz FYWWPGZGEFCRJO-WJDWOHSUSA-N 0 1 459.365 4.296 40 10 JICBMN CCOc1ccc(N2C(=O)C[C@H](N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000016713034 521037626 /nfs/dbraw/zinc/03/76/26/521037626.db2.gz PMBQIUAEBAZCNB-FLCOOLOBSA-N 0 1 464.568 4.175 40 10 JICBMN CCOc1ccc(N2C(=O)CC(N3C(=O)C(=CC=Cc4ccccc4)SC3=S)C2=O)cc1 ZINC000016713034 521037636 /nfs/dbraw/zinc/03/76/36/521037636.db2.gz PMBQIUAEBAZCNB-FLCOOLOBSA-N 0 1 464.568 4.175 40 10 JICBMN C[C@H]1CCCCN1C(=O)Cn1cc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)c2ccccc21 ZINC000002833507 526243505 /nfs/dbraw/zinc/24/35/05/526243505.db2.gz KIHMDQIEWYZRKI-RSZPVBOMSA-N 0 1 474.517 4.138 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc(O)cc1 ZINC000015013569 555855566 /nfs/dbraw/zinc/85/55/66/555855566.db2.gz CHZNHEKKRJVNDB-PDGQHHTCSA-N 0 1 451.935 4.284 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc(F)cc1 ZINC000033864273 569636740 /nfs/dbraw/zinc/63/67/40/569636740.db2.gz CHYFVQRAFYIRLV-NDENLUEZSA-N 0 1 477.448 4.173 40 10 JICBMN CCN(CC)c1ccc(/C=C2\CCC([C@H]3NC(=N)Nc4nc5ccccc5n43)=C2N2CCOCC2)cc1 ZINC000101373628 569794964 /nfs/dbraw/zinc/79/49/64/569794964.db2.gz WTUBFJSZCIPOPJ-DYCVSJHOSA-N 0 1 497.647 4.394 40 10 JICBMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(N4CCCCC4)cc3)s2)cc1 ZINC000225843408 570024415 /nfs/dbraw/zinc/02/44/15/570024415.db2.gz MVWGEMBYWUYNSF-QGZVFWFLSA-N 0 1 485.635 4.129 40 10 JICBMN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(Br)cc2)C(=O)NC1=S ZINC000408740846 570032015 /nfs/dbraw/zinc/03/20/15/570032015.db2.gz INICQZPSNGXHSM-NTEUORMPSA-N 0 1 480.181 4.351 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4C)C3=O)c2C)cc1 ZINC000408741790 570032454 /nfs/dbraw/zinc/03/24/54/570032454.db2.gz LCUGNJIJLZCSSJ-KGENOOAVSA-N 0 1 473.554 4.020 40 10 JICBMN CCCOc1c(Br)cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000408876292 570061391 /nfs/dbraw/zinc/06/13/91/570061391.db2.gz OKOZKEFQXBYUDK-GDNBJRDFSA-N 0 1 475.364 4.078 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(Cl)c3)C(=O)NC2=S)cc1 ZINC000409013889 570100367 /nfs/dbraw/zinc/10/03/67/570100367.db2.gz OEADMZBHNICGAR-XDHOZWIPSA-N 0 1 451.935 4.279 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(Br)cc1OC ZINC000409143061 570145500 /nfs/dbraw/zinc/14/55/00/570145500.db2.gz MSERZLUXJJGIAV-OQLLNIDSSA-N 0 1 489.391 4.305 40 10 JICBMN CCc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccccc4OC)C3=O)c2C)cc1 ZINC000409171770 570155103 /nfs/dbraw/zinc/15/51/03/570155103.db2.gz AGMSHMLGXQELCV-RCCKNPSSSA-N 0 1 459.571 4.496 40 10 JICBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3cccs3)C2=O)c1C ZINC000409198838 570164335 /nfs/dbraw/zinc/16/43/35/570164335.db2.gz FWCMHRUGWGVIER-VCHYOVAHSA-N 0 1 497.598 4.283 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)cc(Br)c1OC(C)C ZINC000409243247 570182824 /nfs/dbraw/zinc/18/28/24/570182824.db2.gz RBTLLGHVCFWKPY-OQLLNIDSSA-N 0 1 489.391 4.385 40 10 JICBMN CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1Br ZINC000409249061 570185190 /nfs/dbraw/zinc/18/51/90/570185190.db2.gz MOFXQNNUUAUKST-XNTDXEJSSA-N 0 1 459.365 4.296 40 10 JICBMN CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000408536313 570190339 /nfs/dbraw/zinc/19/03/39/570190339.db2.gz WCQDTUSIILGFPT-UVTDQMKNSA-N 0 1 474.746 4.011 40 10 JICBMN Cc1[nH]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc2c(cc1Br)n(C)c(=O)n2C ZINC000408536313 570190340 /nfs/dbraw/zinc/19/03/40/570190340.db2.gz WCQDTUSIILGFPT-UVTDQMKNSA-N 0 1 474.746 4.011 40 10 JICBMN CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 ZINC000408583977 570207397 /nfs/dbraw/zinc/20/73/97/570207397.db2.gz KZWUIGDQNGEGOG-UHFFFAOYSA-N 0 1 473.934 4.314 40 10 JICBMN COc1cc(/C=C2/C(=O)NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1cccc(F)c1 ZINC000009259597 521946942 /nfs/dbraw/zinc/94/69/42/521946942.db2.gz KMKWZEPDDHUNQT-MOSHPQCFSA-N 0 1 452.482 4.208 40 10 JICBMN Cc1cc(C=C2C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000033424218 526090350 /nfs/dbraw/zinc/09/03/50/526090350.db2.gz PCELANAUQFZJOQ-ODLFYWEKSA-N 0 1 461.434 4.122 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000006177775 554515333 /nfs/dbraw/zinc/51/53/33/554515333.db2.gz UQWHGECUADFBCP-YBFXNURJSA-N 0 1 478.892 4.318 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc(Br)c1O ZINC000009260431 555034949 /nfs/dbraw/zinc/03/49/49/555034949.db2.gz SAWRJMBQYDOOOS-KPKJPENVSA-N 0 1 495.782 4.347 40 10 JICBMN CN1C[C@@H](c2cccs2)[C@@]2(SC(=S)N(Cc3ccco3)C2=O)[C@]12c1ccccc1N(C)C2=O ZINC000013540381 555488906 /nfs/dbraw/zinc/48/89/06/555488906.db2.gz DUBALWYGBWSREQ-VWMXVWASSA-N 0 1 495.651 4.041 40 10 JICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C#N ZINC000033535019 569627560 /nfs/dbraw/zinc/62/75/60/569627560.db2.gz VNYOFYKQTSZQDG-JAIQZWGSSA-N 0 1 459.889 4.261 40 10 JICBMN COc1ccc(N2CCN(Cc3coc(=O)c(C[N@@H+]4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c3[O-])CC2)cc1 ZINC000101363164 569794312 /nfs/dbraw/zinc/79/43/12/569794312.db2.gz ASEKFTANGAJBHW-DWACAAAGSA-N 0 1 481.637 4.077 40 10 JICBMN COc1ccc(N2CCN(Cc3coc(=O)c(C[N@H+]4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c3[O-])CC2)cc1 ZINC000101363164 569794315 /nfs/dbraw/zinc/79/43/15/569794315.db2.gz ASEKFTANGAJBHW-DWACAAAGSA-N 0 1 481.637 4.077 40 10 JICBMN CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)ccc21 ZINC000408684804 570013613 /nfs/dbraw/zinc/01/36/13/570013613.db2.gz OCXPXYLFVXBASX-UHFFFAOYSA-N 0 1 454.935 4.281 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc(F)cc1 ZINC000408692013 570015196 /nfs/dbraw/zinc/01/51/96/570015196.db2.gz BGPOKLJESIQCRP-VCHYOVAHSA-N 0 1 472.900 4.471 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])c(Cl)c1 ZINC000408692628 570015495 /nfs/dbraw/zinc/01/54/95/570015495.db2.gz RCUPVMHWVHNMAP-LICLKQGHSA-N 0 1 456.886 4.060 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccccc1F ZINC000408692413 570015515 /nfs/dbraw/zinc/01/55/15/570015515.db2.gz LYYALCRMIHIWED-LICLKQGHSA-N 0 1 472.900 4.471 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(Br)cc1F ZINC000408692461 570015524 /nfs/dbraw/zinc/01/55/24/570015524.db2.gz MZNIGZKYMVYITC-LICLKQGHSA-N 0 1 474.330 4.400 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000408692817 570015580 /nfs/dbraw/zinc/01/55/80/570015580.db2.gz WCEHLSXBMIPHEC-VCHYOVAHSA-N 0 1 499.907 4.240 40 10 JICBMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)s2)cc1 ZINC000225843396 570024314 /nfs/dbraw/zinc/02/43/14/570024314.db2.gz MVWGEMBYWUYNSF-KRWDZBQOSA-N 0 1 485.635 4.129 40 10 JICBMN O=C1NC(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000408791316 570044015 /nfs/dbraw/zinc/04/40/15/570044015.db2.gz YOIUDEFDFKBOIY-VCHYOVAHSA-N 0 1 480.889 4.267 40 10 JICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2cccc(F)c2)c1 ZINC000408883268 570063655 /nfs/dbraw/zinc/06/36/55/570063655.db2.gz SLOJETKOFWDUDK-BKUYFWCQSA-N 0 1 462.502 4.245 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc(Br)c1OC(C)C ZINC000409014289 570100602 /nfs/dbraw/zinc/10/06/02/570100602.db2.gz IJYIKUJIINTSQJ-VIZOYTHASA-N 0 1 493.354 4.215 40 10 JICBMN CCOc1ccc2ccccc2c1/C=C1\C(=O)NC(=S)N(c2ccc(OC)cc2OC)C1=O ZINC000409096311 570126787 /nfs/dbraw/zinc/12/67/87/570126787.db2.gz JNSWXSQSSVVBBI-XMHGGMMESA-N 0 1 462.527 4.087 40 10 JICBMN Cc1c(Cl)cccc1N1C(=O)/C(=C\c2ccc(N(C)C)c(Br)c2)C(=O)NC1=S ZINC000409103914 570129331 /nfs/dbraw/zinc/12/93/31/570129331.db2.gz ZTGFSJKMGUOQIE-LCYFTJDESA-N 0 1 478.799 4.308 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(OC)c1 ZINC000409106763 570130533 /nfs/dbraw/zinc/13/05/33/570130533.db2.gz OWEMALFBCONTNB-SFQUDFHCSA-N 0 1 457.983 4.335 40 10 JICBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)o2)c(C)c1 ZINC000409140014 570144169 /nfs/dbraw/zinc/14/41/69/570144169.db2.gz CTOMFEBJTIVKDM-DEDYPNTBSA-N 0 1 474.538 4.490 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)NC1=S ZINC000409173596 570155829 /nfs/dbraw/zinc/15/58/29/570155829.db2.gz MDMJECDGECKOIU-GHRIWEEISA-N 0 1 471.460 4.336 40 10 JICBMN CCOc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(OC)cc4)C3=O)c2C)cc1 ZINC000409186940 570160821 /nfs/dbraw/zinc/16/08/21/570160821.db2.gz JWCBSIBSUBJIAB-HZHRSRAPSA-N 0 1 475.570 4.333 40 10 JICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cc(Br)cs1 ZINC000409229284 570177114 /nfs/dbraw/zinc/17/71/14/570177114.db2.gz MOXFDDMAFXCGLP-WUXMJOGZSA-N 0 1 461.284 4.361 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409237430 570180413 /nfs/dbraw/zinc/18/04/13/570180413.db2.gz UMQURIBZYGRVJP-RGVLZGJSSA-N 0 1 473.554 4.271 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(C)n1-c1ccc2c(c1)OCO2 ZINC000409242704 570182618 /nfs/dbraw/zinc/18/26/18/570182618.db2.gz SMWQFVJRASQBAC-LICLKQGHSA-N 0 1 479.945 4.308 40 10 JICBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4ccccc4Cl)C3=O)o2)cc1 ZINC000409245222 570183789 /nfs/dbraw/zinc/18/37/89/570183789.db2.gz PHADIBJLNTXQSD-FOWTUZBSSA-N 0 1 466.902 4.218 40 10 JICBMN Cc1cc(C)c(N2C(=O)[N-]C(=O)C(=CNc3c4ccccc4[nH+]c4ccccc43)C2=O)c(C)c1 ZINC000408535318 570189897 /nfs/dbraw/zinc/18/98/97/570189897.db2.gz SGMZZJHWBUXFQJ-XSFVSMFZSA-N 0 1 450.498 4.314 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(Br)cc1O ZINC000015013572 555855523 /nfs/dbraw/zinc/85/55/23/555855523.db2.gz WFZDZGXEWJRPPK-XFFZJAGNSA-N 0 1 481.755 4.038 40 10 JICBMN COc1cccc([C@H]2c3c(O)n(-c4ccc(Br)cc4)c(O)c3ON2c2ccccc2)c1O ZINC000018189549 556300559 /nfs/dbraw/zinc/30/05/59/556300559.db2.gz JAIXRIXGWKMHOY-ONTIZHBOSA-N 0 1 495.329 4.214 40 10 JICBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000018208968 556309957 /nfs/dbraw/zinc/30/99/57/556309957.db2.gz NCMVZFVLJJQUDY-VABKMULXSA-N 0 1 492.919 4.365 40 10 JICBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCC(=O)Nc1ccccc1C ZINC000033871432 569636639 /nfs/dbraw/zinc/63/66/39/569636639.db2.gz IVSTWMMZTRGVHD-DEDYPNTBSA-N 0 1 491.931 4.136 40 10 JICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Br)c1OCc1ccccc1 ZINC000034895241 569669477 /nfs/dbraw/zinc/66/94/77/569669477.db2.gz BSRTYQXOHMXTGL-UNOMPAQXSA-N 0 1 479.330 4.498 40 10 JICBMN COc1cc(Cl)cc(/C=C2\C(=O)NN(c3ccccc3)C2=O)c1OCc1ccc2c(c1)OCO2 ZINC000035223807 569678487 /nfs/dbraw/zinc/67/84/87/569678487.db2.gz UXXZCRHNPBITPD-YBFXNURJSA-N 0 1 478.888 4.118 40 10 JICBMN Cc1ccc(C(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000035251471 569678889 /nfs/dbraw/zinc/67/88/89/569678889.db2.gz BRABVBUBTCWYAF-XSFVSMFZSA-N 0 1 477.314 4.438 40 10 JICBMN Cc1cccc(C(=O)Oc2ccc(Br)cc2/C=C2\C(=O)NN(c3ccccc3)C2=O)c1 ZINC000107640385 569856799 /nfs/dbraw/zinc/85/67/99/569856799.db2.gz HMABGDASAXZTAC-XSFVSMFZSA-N 0 1 477.314 4.438 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(Br)cc1OCc1ccccc1 ZINC000408692926 570015572 /nfs/dbraw/zinc/01/55/72/570015572.db2.gz YPUCSJGEZYCHPU-WOJGMQOQSA-N 0 1 499.361 4.441 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1cccc(Br)c1 ZINC000408692726 570015660 /nfs/dbraw/zinc/01/56/60/570015660.db2.gz TVPKDEOXJLWLKY-YBFXNURJSA-N 0 1 456.340 4.261 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1 ZINC000408781061 570041495 /nfs/dbraw/zinc/04/14/95/570041495.db2.gz QXAFQCLZKKFEMY-CIAFOILYSA-N 0 1 474.542 4.450 40 10 JICBMN COc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Br)c1OCc1c(C)ccc2ccccc21 ZINC000408800196 570045171 /nfs/dbraw/zinc/04/51/71/570045171.db2.gz NQLIDLVFKFTVPL-UHFFFAOYSA-N 0 1 495.329 4.248 40 10 JICBMN O=C1NC(=S)N(c2ccc(F)c(Cl)c2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000408967476 570088010 /nfs/dbraw/zinc/08/80/10/570088010.db2.gz SFAGZAGRMYXNPA-GDNBJRDFSA-N 0 1 471.853 4.479 40 10 JICBMN C=C1N=C(SCC(=O)Nc2ccc(C)cc2)N[C@H](c2ccc(N(C)C)cc2)C1C(=O)OCC ZINC000408994696 570095165 /nfs/dbraw/zinc/09/51/65/570095165.db2.gz ZQTXYUVDVAREDY-HSZRJFAPSA-N 0 1 466.607 4.270 40 10 JICBMN COc1cc(OC)c(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1Br ZINC000409085552 570123129 /nfs/dbraw/zinc/12/31/29/570123129.db2.gz DIKHALLOVLFRKS-KPKJPENVSA-N 0 1 495.782 4.259 40 10 JICBMN CCOc1ccc(Cl)cc1/C=C1\C(=O)NC(=S)N(c2ccc(Br)cc2)C1=O ZINC000409100575 570128334 /nfs/dbraw/zinc/12/83/34/570128334.db2.gz UYESDAJURHBNRJ-XNTDXEJSSA-N 0 1 465.756 4.333 40 10 JICBMN COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccccc4C)c3C)C(=O)NC2=S)c(OC)c1 ZINC000409116038 570134139 /nfs/dbraw/zinc/13/41/39/570134139.db2.gz LGCMRIOYBBGFHR-DEDYPNTBSA-N 0 1 475.570 4.251 40 10 JICBMN CCN(C(=O)c1cn[nH]c1[C@H]1CCN(C(=O)c2ccccc2C[NH+]2CCCC2)C1)c1ccccc1 ZINC000257307758 570140718 /nfs/dbraw/zinc/14/07/18/570140718.db2.gz TTZLHAWUPHUSGD-QFIPXVFZSA-N 0 1 471.605 4.302 40 10 JICBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)cc1OC ZINC000409147614 570147758 /nfs/dbraw/zinc/14/77/58/570147758.db2.gz MZUJXEZDZBNOJB-OQLLNIDSSA-N 0 1 489.391 4.305 40 10 JICBMN CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc1OC ZINC000409148721 570148212 /nfs/dbraw/zinc/14/82/12/570148212.db2.gz QTMINDOIXBBFPU-OQLLNIDSSA-N 0 1 489.391 4.305 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3C)c2C)C(=O)NC1=S ZINC000409171469 570154944 /nfs/dbraw/zinc/15/49/44/570154944.db2.gz BYIGZMIUYYCFQJ-CPNJWEJPSA-N 0 1 490.541 4.151 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)NC1=S ZINC000409173348 570155735 /nfs/dbraw/zinc/15/57/35/570155735.db2.gz PFSBALHLBCBVLC-SFQUDFHCSA-N 0 1 463.471 4.003 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Cl)c3Cl)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409193204 570162669 /nfs/dbraw/zinc/16/26/69/570162669.db2.gz FEXUUMSDTYFOQD-VGVSSDJJSA-N 0 1 478.401 4.422 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1C ZINC000409221246 570174458 /nfs/dbraw/zinc/17/44/58/570174458.db2.gz NIIZIAMKFRIXST-DEDYPNTBSA-N 0 1 474.542 4.450 40 10 JICBMN Cc1ccc(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1C ZINC000409265670 570188312 /nfs/dbraw/zinc/18/83/12/570188312.db2.gz NNXWJZVUKOBFMD-JCMHNJIXSA-N 0 1 485.565 4.152 40 10 JICBMN Cc1ccc(C)c(NC(=O)COc2ccccc2/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c1 ZINC000409272399 570189453 /nfs/dbraw/zinc/18/94/53/570189453.db2.gz PZCHKJYCLSIBEF-QNGOZBTKSA-N 0 1 485.565 4.152 40 10 JICBMN COC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1C ZINC000408582804 570207098 /nfs/dbraw/zinc/20/70/98/570207098.db2.gz FDTMLWCJVWKMEP-UHFFFAOYSA-N 0 1 473.934 4.232 40 10 JICBMN CCOc1ccc(OCC)c(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c1 ZINC000016689305 521164121 /nfs/dbraw/zinc/16/41/21/521164121.db2.gz BYJPEBPKRJWBPJ-ATVHPVEESA-N 0 1 475.364 4.078 40 10 JICBMN COc1ccc(N2C(=O)/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C(=O)NC2=S)cc1 ZINC000006645232 554557497 /nfs/dbraw/zinc/55/74/97/554557497.db2.gz FGVIZCMJKVQWKB-STZFKDTASA-N 0 1 474.538 4.114 40 10 JICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1c(Oc2ccc([N+](=O)[O-])cn2)ccc2ccccc21 ZINC000033780232 569634677 /nfs/dbraw/zinc/63/46/77/569634677.db2.gz YMOPQUGLTXYQPR-STZFKDTASA-N 0 1 452.426 4.397 40 10 JICBMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)s1 ZINC000224711635 569954496 /nfs/dbraw/zinc/95/44/96/569954496.db2.gz JJFGFMNUTWQZPF-QGZVFWFLSA-N 0 1 485.635 4.129 40 10 JICBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000408723628 570027623 /nfs/dbraw/zinc/02/76/23/570027623.db2.gz YIVJVVHWAGVMKO-BJMVGYQFSA-N 0 1 472.147 4.293 40 10 JICBMN Cc1cccc(N2C(=O)/C(=C/c3ccc(Sc4nc5ccccc5[nH]4)o3)C(=O)NC2=S)c1 ZINC000408786187 570043104 /nfs/dbraw/zinc/04/31/04/570043104.db2.gz GLUIIGWLCHDGNI-FOWTUZBSSA-N 0 1 460.540 4.447 40 10 JICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000408873280 570060310 /nfs/dbraw/zinc/06/03/10/570060310.db2.gz SDTLTVDTKFDTLJ-STZFKDTASA-N 0 1 459.483 4.005 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)cc(C)c3)C2=O)c(Br)cc1OC ZINC000409012152 570099899 /nfs/dbraw/zinc/09/98/99/570099899.db2.gz JGZYZBHTXURROE-CXUHLZMHSA-N 0 1 489.391 4.305 40 10 JICBMN O=C1NC(=O)C(=Cc2cc(Cl)c(OCc3ccc(Br)cc3)c(Cl)c2)C(=O)N1 ZINC000409038817 570107109 /nfs/dbraw/zinc/10/71/09/570107109.db2.gz BGYADMHEJFIOKM-UHFFFAOYSA-N 0 1 470.106 4.084 40 10 JICBMN O=C1NC(=S)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCCC2)c(F)c1 ZINC000409070895 570118205 /nfs/dbraw/zinc/11/82/05/570118205.db2.gz HHACPIOMHHUGPH-MHWRWJLKSA-N 0 1 474.355 4.020 40 10 JICBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(OC)cc3OC)C2=O)cc1Cl ZINC000409106988 570130591 /nfs/dbraw/zinc/13/05/91/570130591.db2.gz PLXQFTNWEIUXJJ-BVTUPMQUSA-N 0 1 474.966 4.366 40 10 JICBMN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4C)C3=O)c2C)c1 ZINC000409135650 570142087 /nfs/dbraw/zinc/14/20/87/570142087.db2.gz ROTNNNKEHNLTPM-HYARGMPZSA-N 0 1 487.581 4.329 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)cc(Br)c1OC ZINC000409149072 570148357 /nfs/dbraw/zinc/14/83/57/570148357.db2.gz WSYLPVXSTKIAPB-OQLLNIDSSA-N 0 1 489.391 4.305 40 10 JICBMN CC[C@@H](C)Oc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)cc1Br ZINC000409174905 570156404 /nfs/dbraw/zinc/15/64/04/570156404.db2.gz VMRLRCZRJVBRJT-WDGDVPDHSA-N 0 1 489.391 4.466 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)n1C[C@H]1CCCO1 ZINC000409200572 570165058 /nfs/dbraw/zinc/16/50/58/570165058.db2.gz MTRRBVALOZCZFM-HRYJJRBTSA-N 0 1 457.983 4.077 40 10 JICBMN CC(C)c1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)c(Br)c3)C(=O)NC2=S)cc1 ZINC000409232892 570178478 /nfs/dbraw/zinc/17/84/78/570178478.db2.gz IXPIJASMYLTRPD-BOPFTXTBSA-N 0 1 472.408 4.470 40 10 JICBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000409233369 570178711 /nfs/dbraw/zinc/17/87/11/570178711.db2.gz FZKPLSUVCUMZEC-RVDMUPIBSA-N 0 1 453.863 4.340 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)NC2=S)cc1Cl ZINC000409234395 570179068 /nfs/dbraw/zinc/17/90/68/570179068.db2.gz WJAWOBCSKBJRDE-WOJGMQOQSA-N 0 1 466.906 4.179 40 10 JICBMN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409242685 570182614 /nfs/dbraw/zinc/18/26/14/570182614.db2.gz XPJMUXDIFGCGNQ-XYOKQWHBSA-N 0 1 451.331 4.232 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(Br)cc1O ZINC000409248072 570184921 /nfs/dbraw/zinc/18/49/21/570184921.db2.gz FUYBOQNJYDUALH-AWNIVKPZSA-N 0 1 495.782 4.347 40 10 JICBMN CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(N=Cc3c(C)[nH]n(-c4ccc(C)c(Cl)c4)c3=O)cc21 ZINC000408526357 570185992 /nfs/dbraw/zinc/18/59/92/570185992.db2.gz BDUZJYAQZJOJCE-VBKFSLOCSA-N 0 1 482.928 4.431 40 10 JICBMN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1ccc(I)o1 ZINC000059398720 195398767 /nfs/dbraw/zinc/39/87/67/195398767.db2.gz KFQSLIGRNVCQCS-RMKNXTFCSA-N 0 1 493.109 4.022 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N([C@@H](C)C34CC5CC(CC(C5)C3)C4)C2=O)cc(Cl)c1O ZINC000016576043 521963851 /nfs/dbraw/zinc/96/38/51/521963851.db2.gz ZBVODVBUGGDRSR-SXZIUWBPSA-N 0 1 458.942 4.121 40 10 JICBMN CCn1cc(/C=C2/C(=O)NC(=S)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000016162960 523304293 /nfs/dbraw/zinc/30/42/93/523304293.db2.gz BBCFJJCZORUQBN-BOPFTXTBSA-N 0 1 454.349 4.255 40 10 JICBMN COc1cc(Br)c(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)cc1OC ZINC000015013389 555855122 /nfs/dbraw/zinc/85/51/22/555855122.db2.gz VQUDAFUTKPPXFG-GHXNOFRVSA-N 0 1 495.782 4.259 40 10 JICBMN O=C(Oc1ccccc1/C=C1\C(=O)NN(c2ccccc2)C1=O)c1ccc(Br)cc1 ZINC000033782958 569634764 /nfs/dbraw/zinc/63/47/64/569634764.db2.gz NPHXMBZYOAMTQD-XMHGGMMESA-N 0 1 463.287 4.130 40 10 JICBMN O=C(COc1ccc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 ZINC000035080030 569674370 /nfs/dbraw/zinc/67/43/70/569674370.db2.gz JYYLBNXQXYXEFF-MOSHPQCFSA-N 0 1 482.323 4.472 40 10 JICBMN CN(C)c1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102752234 569820961 /nfs/dbraw/zinc/82/09/61/569820961.db2.gz NCMVZFVLJJQUDY-RJGXRXQPSA-N 0 1 492.919 4.365 40 10 JICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)c(Br)c1 ZINC000107931622 569857962 /nfs/dbraw/zinc/85/79/62/569857962.db2.gz ZJPWVKHNWGEWEY-ZDLGFXPLSA-N 0 1 493.313 4.218 40 10 JICBMN O=C(COc1ccc2ccccc2c1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1F ZINC000108034817 569858356 /nfs/dbraw/zinc/85/83/56/569858356.db2.gz TUEALZNSCBNMQB-JWGURIENSA-N 0 1 481.483 4.458 40 10 JICBMN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Br)c1 ZINC000108127264 569858801 /nfs/dbraw/zinc/85/88/01/569858801.db2.gz IHVOSKUECXZQQR-UNOMPAQXSA-N 0 1 494.301 4.398 40 10 JICBMN Cc1ccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c(Br)c1 ZINC000109606330 569860593 /nfs/dbraw/zinc/86/05/93/569860593.db2.gz ZUHLEACAYIVVGA-FLIBITNWSA-N 0 1 468.735 4.294 40 10 JICBMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC[C@@H](C)C4)cc3)s2)cc1 ZINC000223744502 569921951 /nfs/dbraw/zinc/92/19/51/569921951.db2.gz SPSOHTVUGLXCPX-QZTJIDSGSA-N 0 1 499.662 4.375 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408740783 570032051 /nfs/dbraw/zinc/03/20/51/570032051.db2.gz IBSLRPCIXUGDMU-LDADJPATSA-N 0 1 458.381 4.127 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3)C2=O)c(C)n1-c1ccc(N(C)C)cc1 ZINC000408741036 570032149 /nfs/dbraw/zinc/03/21/49/570032149.db2.gz NNPHYYIVHFBQAX-HZHRSRAPSA-N 0 1 458.587 4.300 40 10 JICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C\c1ccccc1OCc1ccc([N+](=O)[O-])cc1 ZINC000408883635 570063669 /nfs/dbraw/zinc/06/36/69/570063669.db2.gz QOIXTQGZWAZBFV-ZHZULCJRSA-N 0 1 459.483 4.005 40 10 JICBMN CCc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(Br)o2)C(=O)NC1=S ZINC000408954684 570084706 /nfs/dbraw/zinc/08/47/06/570084706.db2.gz UNRJLANZNBBRBL-YRNVUSSQSA-N 0 1 484.169 4.198 40 10 JICBMN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4cc(C)cc(C)c4)C3=O)c2C)cc1 ZINC000409018140 570101902 /nfs/dbraw/zinc/10/19/02/570101902.db2.gz XQLVBRTYXHHFER-OEAKJJBVSA-N 0 1 487.581 4.329 40 10 JICBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000409080435 570121460 /nfs/dbraw/zinc/12/14/60/570121460.db2.gz DHNVPTUTARWXQI-UHFFFAOYSA-N 0 1 499.785 4.207 40 10 JICBMN Cc1cccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)C(=O)NC2=S)c1C ZINC000409126243 570138035 /nfs/dbraw/zinc/13/80/35/570138035.db2.gz BBHCKWFGUCEBLE-LZYBPNLTSA-N 0 1 454.349 4.379 40 10 JICBMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(C)c3C)C2=O)o1 ZINC000409126526 570138230 /nfs/dbraw/zinc/13/82/30/570138230.db2.gz BZGDQALXFOMJJJ-LDADJPATSA-N 0 1 477.498 4.312 40 10 JICBMN COc1ccccc1N1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)NC1=S ZINC000409175424 570156574 /nfs/dbraw/zinc/15/65/74/570156574.db2.gz YYIMFCMXCBRFPI-KAMYIIQDSA-N 0 1 483.889 4.348 40 10 JICBMN O=C(Cn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21)N1CCCc2ccccc21 ZINC000409197775 570164039 /nfs/dbraw/zinc/16/40/39/570164039.db2.gz OQYPQMIWLXHHQY-KQWNVCNZSA-N 0 1 496.567 4.025 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)c(C)n1-c1ccccn1 ZINC000409221515 570174582 /nfs/dbraw/zinc/17/45/82/570174582.db2.gz RJIDFRVITIWWON-WOJGMQOQSA-N 0 1 481.375 4.083 40 10 JICBMN CCN(CC)c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(OC)c1 ZINC000409234278 570179046 /nfs/dbraw/zinc/17/90/46/570179046.db2.gz KACNQDNPIAWRIO-WOJGMQOQSA-N 0 1 457.983 4.335 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c(C)n1-c1cccnc1 ZINC000409244018 570183207 /nfs/dbraw/zinc/18/32/07/570183207.db2.gz WKFIRARLKOSEPR-VXLYETTFSA-N 0 1 470.476 4.339 40 10 JICBMN CCOc1c(Br)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)cc1OC ZINC000409243955 570183211 /nfs/dbraw/zinc/18/32/11/570183211.db2.gz ZOZKAFLWTSVOKV-XYOKQWHBSA-N 0 1 495.782 4.341 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc(Br)c1OC ZINC000409247874 570184912 /nfs/dbraw/zinc/18/49/12/570184912.db2.gz OPEDBPKQPOBRQZ-OQLLNIDSSA-N 0 1 489.391 4.305 40 10 JICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(Br)s1 ZINC000409251910 570186039 /nfs/dbraw/zinc/18/60/39/570186039.db2.gz QYUNAOJQEBEKLF-YRNVUSSQSA-N 0 1 461.284 4.361 40 10 JICBMN O=C(COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)cc1)Nc1ccc(Cl)cc1 ZINC000409259156 570187413 /nfs/dbraw/zinc/18/74/13/570187413.db2.gz WWZKZGSILPSPKX-STZFKDTASA-N 0 1 491.956 4.189 40 10 JICBMN CCc1ccccc1N1C(=O)/C(=C/c2cc(Br)c(N3CCCC3)o2)C(=O)NC1=S ZINC000059249646 195396150 /nfs/dbraw/zinc/39/61/50/195396150.db2.gz PWDPJDLZDBTOKM-RVDMUPIBSA-N 0 1 474.380 4.036 40 10 JICBMN CCN1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)c2C)C1=O ZINC000005947688 554497705 /nfs/dbraw/zinc/49/77/05/554497705.db2.gz FUFGVYPCHDPIMA-CPNJWEJPSA-N 0 1 465.510 4.315 40 10 JICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000033536753 569627481 /nfs/dbraw/zinc/62/74/81/569627481.db2.gz VGUTWMGIIDKYSW-ODLFYWEKSA-N 0 1 479.876 4.297 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccccc1 ZINC000108093033 569858617 /nfs/dbraw/zinc/85/86/17/569858617.db2.gz NPPQBSZYYKCQIT-MOSHPQCFSA-N 0 1 459.458 4.034 40 10 JICBMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](C)c3ccc(N4CCCCC4)cc3)s2)c1 ZINC000222577791 569886185 /nfs/dbraw/zinc/88/61/85/569886185.db2.gz PJWHTYLWGCOWDT-KRWDZBQOSA-N 0 1 485.635 4.129 40 10 JICBMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](C)c3ccc(N4CCC(C)CC4)cc3)s2)c1 ZINC000225279688 569987885 /nfs/dbraw/zinc/98/78/85/569987885.db2.gz ZVQCDBSVVYGAAT-GOSISDBHSA-N 0 1 499.662 4.375 40 10 JICBMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)s1 ZINC000225574821 570006758 /nfs/dbraw/zinc/00/67/58/570006758.db2.gz FWFLUYMEGSPYCA-AEFFLSMTSA-N 0 1 499.662 4.375 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 ZINC000408692585 570015510 /nfs/dbraw/zinc/01/55/10/570015510.db2.gz PWUVFAIXFUZILH-VCHYOVAHSA-N 0 1 499.907 4.240 40 10 JICBMN CC(C)COc1ccc(/C=C2\C(=O)NC(=S)N(c3cccc(Br)c3)C2=O)cc1 ZINC000408739821 570031658 /nfs/dbraw/zinc/03/16/58/570031658.db2.gz ASZSUNHHVFEDRP-VCHYOVAHSA-N 0 1 459.365 4.315 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C(=O)NC2=S)cc1 ZINC000408741443 570032329 /nfs/dbraw/zinc/03/23/29/570032329.db2.gz LZNPCBNGVMACCY-HYARGMPZSA-N 0 1 473.510 4.314 40 10 JICBMN CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc([N+](=O)[O-])c4)c3C)C(=O)NC2=S)cc1 ZINC000408779705 570041031 /nfs/dbraw/zinc/04/10/31/570041031.db2.gz ILOVHSVEBISCAF-LPYMAVHISA-N 0 1 490.541 4.232 40 10 JICBMN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)o1 ZINC000409130626 570139881 /nfs/dbraw/zinc/13/98/81/570139881.db2.gz WWBAZYHRIJFERP-CPNJWEJPSA-N 0 1 460.511 4.181 40 10 JICBMN CCCOc1ccc(CN2C(=O)NC(=O)/C(=C\c3cc(Cl)ccc3OC)C2=O)cc1OCC ZINC000409192617 570162512 /nfs/dbraw/zinc/16/25/12/570162512.db2.gz FKXXBZVSXRCYBA-QGOAFFKASA-N 0 1 472.925 4.198 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OC ZINC000409221300 570174574 /nfs/dbraw/zinc/17/45/74/570174574.db2.gz OENNPROWBHPNSD-AWNIVKPZSA-N 0 1 451.331 4.150 40 10 JICBMN Cc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(N(C)C)cc3)C(=O)NC2=S)cc1Cl ZINC000409230396 570177602 /nfs/dbraw/zinc/17/76/02/570177602.db2.gz CWFMLXARENGLJW-DEDYPNTBSA-N 0 1 464.978 4.336 40 10 JICBMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccccc3Cl)C2=O)c(Cl)cc1OC ZINC000409248164 570184944 /nfs/dbraw/zinc/18/49/44/570184944.db2.gz GNDVJSFKGIDVOI-XYOKQWHBSA-N 0 1 451.331 4.232 40 10 JICBMN CN(C)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2c(N)nc(N)[nH]c2=O)cc1 ZINC000008618895 522123279 /nfs/dbraw/zinc/12/32/79/522123279.db2.gz DTXKDJNPXMCIJP-UHFFFAOYSA-N 0 1 477.572 4.246 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3cccc(Cl)c3C)C2=O)c(C)n1-c1ccccn1 ZINC000009263213 555037910 /nfs/dbraw/zinc/03/79/10/555037910.db2.gz LFCDOPLAYAXLTF-ATVHPVEESA-N 0 1 450.951 4.282 40 10 JICBMN COc1ccc(N2CCN(C[C@H](O)COc3cc4c(c5c3CCCC5)CCCC4)CC2)cc1 ZINC000031949746 556411994 /nfs/dbraw/zinc/41/19/94/556411994.db2.gz GKTSXRHLYUJTSU-QHCPKHFHSA-N 0 1 450.623 4.015 40 10 JICBMN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1cccc(C)c1 ZINC000033749209 569633544 /nfs/dbraw/zinc/63/35/44/569633544.db2.gz AYMOGWRUYXKHKY-BKUYFWCQSA-N 0 1 473.485 4.342 40 10 JICBMN COc1cccc([C@H]2c3c(O)n(-c4cccc(Cl)c4C)c(O)c3ON2c2ccccc2)c1O ZINC000102730211 569818122 /nfs/dbraw/zinc/81/81/22/569818122.db2.gz ABBJGWSFAACZDO-FUPPJEDESA-N 0 1 464.905 4.414 40 10 JICBMN COc1cc(/C=C2\C(=O)NC(=O)N(C3CCCC3)C2=O)ccc1OCc1ccccc1Cl ZINC000408692284 570015343 /nfs/dbraw/zinc/01/53/43/570015343.db2.gz JAWCZOOYDXOCPD-LDADJPATSA-N 0 1 454.910 4.332 40 10 JICBMN Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(C4CCCC4)C3=O)cc2Cl)cc1 ZINC000408694695 570017118 /nfs/dbraw/zinc/01/71/18/570017118.db2.gz LOYBLIUXWKDBQO-XDHOZWIPSA-N 0 1 481.936 4.070 40 10 JICBMN CCOc1cccc(N2C(=O)/C(=C/c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C(=O)NC2=S)c1 ZINC000408774035 570039647 /nfs/dbraw/zinc/03/96/47/570039647.db2.gz VIHCKMBUGRLEBZ-UDWIEESQSA-N 0 1 490.497 4.012 40 10 JICBMN CCOc1cc(C=C2C(=O)NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000408796088 570044467 /nfs/dbraw/zinc/04/44/67/570044467.db2.gz DJUUXFJGAKPGEM-UHFFFAOYSA-N 0 1 469.708 4.374 40 10 JICBMN COc1ccc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)c(OCc2ccc(C)cc2)c1 ZINC000408870411 570059342 /nfs/dbraw/zinc/05/93/42/570059342.db2.gz VMOHNZLSEPYMPB-HMAPJEAMSA-N 0 1 458.539 4.414 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C)C2=O)c(C)n1-c1ccc(OCc2ccccc2Cl)cc1 ZINC000408999106 570095990 /nfs/dbraw/zinc/09/59/90/570095990.db2.gz KFKBNZATEPZMHD-BKUYFWCQSA-N 0 1 463.921 4.418 40 10 JICBMN COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)o1 ZINC000409134092 570141552 /nfs/dbraw/zinc/14/15/52/570141552.db2.gz OSNGLOUNUAVAPW-LDADJPATSA-N 0 1 477.498 4.312 40 10 JICBMN CCc1ccccc1-n1c(C)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3OC)C2=O)c1C ZINC000409168336 570154000 /nfs/dbraw/zinc/15/40/00/570154000.db2.gz QNNSOKHWJCRUOM-HMMYKYKNSA-N 0 1 459.571 4.496 40 10 JICBMN COC(=O)c1c(C)c(C)sc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(Cc3ccccc3)C2=O)c1C ZINC000409196200 570163560 /nfs/dbraw/zinc/16/35/60/570163560.db2.gz UMJYVGVFHDTXMJ-UDWIEESQSA-N 0 1 491.569 4.221 40 10 JICBMN O=C1NC(=S)N(c2ccccc2Cl)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 ZINC000409221956 570174777 /nfs/dbraw/zinc/17/47/77/570174777.db2.gz ACSCSEQGAUACKR-NTUHNPAUSA-N 0 1 460.740 4.415 40 10 JICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1ccc(O)c(Br)c1 ZINC000409237703 570180508 /nfs/dbraw/zinc/18/05/08/570180508.db2.gz BGRIROVNTCNATK-WUXMJOGZSA-N 0 1 471.254 4.005 40 10 JICBMN CCOc1cc(Br)c(/C=C2\C(=O)NC(=S)N(c3cc(C)ccc3C)C2=O)cc1OC ZINC000409242728 570182736 /nfs/dbraw/zinc/18/27/36/570182736.db2.gz SSDDWLAKBYIYIQ-OQLLNIDSSA-N 0 1 489.391 4.305 40 10 JICBMN O=C1NC(=S)N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1cccn1-c1ccc([N+](=O)[O-])cc1 ZINC000409243154 570182813 /nfs/dbraw/zinc/18/28/13/570182813.db2.gz ZGBPZGWRHVONHF-LDADJPATSA-N 0 1 486.431 4.236 40 10 JICBMN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cc(C)ccc4C)C3=O)o2)cc1 ZINC000409245945 570184137 /nfs/dbraw/zinc/18/41/37/570184137.db2.gz BGJJRDRRATWDKG-CPNJWEJPSA-N 0 1 460.511 4.181 40 10 JICBMN CN(C)c1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br ZINC000409246371 570184324 /nfs/dbraw/zinc/18/43/24/570184324.db2.gz HKDNBMSCCZAUOM-ZSOIEALJSA-N 0 1 498.324 4.365 40 10 JICBMN Cc1cc(/C=C2\C(=O)NC(=O)N(Cc3ccco3)C2=O)c(C)n1-c1ccc(Br)c(C)c1 ZINC000006194199 526090669 /nfs/dbraw/zinc/09/06/69/526090669.db2.gz WCBABGNVUUTKMZ-YBFXNURJSA-N 0 1 482.334 4.420 40 10 JICBMN COc1ccc(N2CCN(C[C@@H](O)COc3cc4c(c5c3CCCC5)CCCC4)CC2)cc1 ZINC000017064239 556215059 /nfs/dbraw/zinc/21/50/59/556215059.db2.gz GKTSXRHLYUJTSU-HSZRJFAPSA-N 0 1 450.623 4.015 40 10 JICBMN C=CCc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1OCc1ccc2c(c1)OCO2 ZINC000033410693 569626014 /nfs/dbraw/zinc/62/60/14/569626014.db2.gz JSOCNXXEVCRXSN-XKZIYDEJSA-N 0 1 484.508 4.193 40 10 JICBMN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 ZINC000033536756 569627502 /nfs/dbraw/zinc/62/75/02/569627502.db2.gz SAVNUPFXMZDWQI-ODLFYWEKSA-N 0 1 479.876 4.297 40 10 JICBMN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12 ZINC000408692015 570015179 /nfs/dbraw/zinc/01/51/79/570015179.db2.gz BHIJXXAOATYSCL-FYJGNVAPSA-N 0 1 458.474 4.002 40 10 JICBMN COc1cc(/C=C2/C(=O)NC(=S)N(c3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000408868045 570058707 /nfs/dbraw/zinc/05/87/07/570058707.db2.gz MCQAESVIBBYGPZ-MOSHPQCFSA-N 0 1 489.509 4.014 40 10 JICBMN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccc(OCc2ccc([N+](=O)[O-])cc2)c1 ZINC000408934149 570080853 /nfs/dbraw/zinc/08/08/53/570080853.db2.gz COXYFVZMIMXNNP-KGENOOAVSA-N 0 1 459.483 4.005 40 10 JICBMN CCc1ccc(N2C(=O)/C(=C/c3cc(Br)c(Br)o3)C(=O)NC2=S)cc1 ZINC000408952922 570084369 /nfs/dbraw/zinc/08/43/69/570084369.db2.gz NDSZQIGJJHEFEG-KPKJPENVSA-N 0 1 484.169 4.198 40 10 JICBMN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(c4ccc(C)cc4)C3=O)c2C)c1 ZINC000408968132 570088098 /nfs/dbraw/zinc/08/80/98/570088098.db2.gz UKGCSVPKAHYMHB-HZHRSRAPSA-N 0 1 487.581 4.411 40 10 JICBMN COc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C(=O)NC2=S)c(OC)c1 ZINC000409075611 570119848 /nfs/dbraw/zinc/11/98/48/570119848.db2.gz ZEFDZUIRDOWMBX-WQRHYEAKSA-N 0 1 493.497 4.012 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3C)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000409129140 570139293 /nfs/dbraw/zinc/13/92/93/570139293.db2.gz QXYWOFIYRWBXON-BKUYFWCQSA-N 0 1 474.542 4.450 40 10 JICBMN Cc1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1 ZINC000409197439 570163935 /nfs/dbraw/zinc/16/39/35/570163935.db2.gz FKRSBKGSIGTRAB-STZFKDTASA-N 0 1 491.548 4.007 40 10 JICBMN COc1ccccc1OCCn1cc(/C=C2/C(=O)NC(=O)N(C3CCCC3)C2=O)c2ccccc21 ZINC000409198039 570164154 /nfs/dbraw/zinc/16/41/54/570164154.db2.gz VJVGOIPVPVGIAM-PGMHBOJBSA-N 0 1 473.529 4.133 40 10 JICBMN O=C(NN1C(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)SC1=S)c1cccs1 ZINC000409216257 570172559 /nfs/dbraw/zinc/17/25/59/570172559.db2.gz GQFOADTZJNZOLY-YBEGLDIGSA-N 0 1 484.540 4.390 40 10 JICBMN O=C1NC(=O)N(CCc2ccccc2)C(=O)C1=CNc1ccc(Br)c2ccccc12 ZINC000408529246 570187128 /nfs/dbraw/zinc/18/71/28/570187128.db2.gz HHOIREMGLZBJFW-NBVRZTHBSA-N 0 1 464.319 4.219 40 10 JICBMN COc1cc(C)c(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OC ZINC000408549607 570194757 /nfs/dbraw/zinc/19/47/57/570194757.db2.gz VQMFWKBTZHUKRP-NTUHNPAUSA-N 0 1 451.331 4.150 40 10 JICBMN Cc1cc(Br)ccc1NC=C1C(=O)NC(=S)N(c2ccc(F)c(Cl)c2)C1=O ZINC000408550965 570195128 /nfs/dbraw/zinc/19/51/28/570195128.db2.gz LBYSJDNKDLYEMV-WQLSENKSSA-N 0 1 468.735 4.294 40 10 JICBMN