smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(OC)c(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC)C2=O)c1 ZINC000059417340 195399785 /nfs/dbraw/zinc/39/97/85/195399785.db2.gz UMTREGARSHQSJV-NTEUORMPSA-N 0 2 461.268 3.141 40 10 JGCBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNc3cc([N+](=O)[O-])ccc3O)C2=O)cc1C ZINC000016267918 526152817 /nfs/dbraw/zinc/15/28/17/526152817.db2.gz RATXMTFIGGYUPG-WQLSENKSSA-N 0 2 475.255 3.259 40 10 JGCBLN O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(I)o1 ZINC000036076699 527048827 /nfs/dbraw/zinc/04/88/27/527048827.db2.gz WGRLXDCZHQYEMW-YRNVUSSQSA-N 0 2 487.047 3.313 40 10 JGCBLN Cc1ccc(NC(=O)COc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 ZINC000033720809 569631999 /nfs/dbraw/zinc/63/19/99/569631999.db2.gz NUHKRSSUSCBMHJ-ZHZULCJRSA-N 0 2 472.457 3.382 40 10 JGCBLN CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccccc1C ZINC000104123630 569841246 /nfs/dbraw/zinc/84/12/46/569841246.db2.gz ZIKAYCNSRMNLHB-DUPNKOKHSA-N 0 2 458.525 3.327 40 10 JGCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(OC)c1Oc1ccc([N+](=O)[O-])cn1 ZINC000108002352 569858284 /nfs/dbraw/zinc/85/82/84/569858284.db2.gz LZSBMUJNGPVRMP-YVLHZVERSA-N 0 2 462.418 3.261 40 10 JGCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1OCC ZINC000408774543 570039772 /nfs/dbraw/zinc/03/97/72/570039772.db2.gz WGOUEUYQDDPUDK-LDADJPATSA-N 0 2 452.463 3.002 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(Br)cc1OC(C)=O ZINC000408775443 570040014 /nfs/dbraw/zinc/04/00/14/570040014.db2.gz STQAMNXWXSJUAI-OVCLIPMQSA-N 0 2 473.279 3.358 40 10 JGCBLN COc1cc(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 ZINC000408870207 570059307 /nfs/dbraw/zinc/05/93/07/570059307.db2.gz VVCWVFILHFZNJF-JYRVWZFOSA-N 0 2 466.206 3.105 40 10 JGCBLN CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000408871183 570059681 /nfs/dbraw/zinc/05/96/81/570059681.db2.gz YQFGYTRZTLEXQC-CXUHLZMHSA-N 0 2 478.242 3.062 40 10 JGCBLN CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)c1 ZINC000408884046 570063843 /nfs/dbraw/zinc/06/38/43/570063843.db2.gz WOCKNWLONKHMER-LICLKQGHSA-N 0 2 473.279 3.301 40 10 JGCBLN COc1cc(OC)c(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(OC)c1 ZINC000408903058 570069704 /nfs/dbraw/zinc/06/97/04/570069704.db2.gz OPNBQBYVCWXECD-XNTDXEJSSA-N 0 2 461.268 3.141 40 10 JGCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Br ZINC000408914153 570074422 /nfs/dbraw/zinc/07/44/22/570074422.db2.gz XIDGECDOBPPBRR-OVCLIPMQSA-N 0 2 491.269 3.197 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC ZINC000408934298 570081031 /nfs/dbraw/zinc/08/10/31/570081031.db2.gz ACVNKLNUYONSPA-NTUHNPAUSA-N 0 2 476.239 3.041 40 10 JGCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408967933 570088089 /nfs/dbraw/zinc/08/80/89/570088089.db2.gz VWBVBULOKGZTKJ-UDWIEESQSA-N 0 2 498.948 3.061 40 10 JGCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409064383 570115785 /nfs/dbraw/zinc/11/57/85/570115785.db2.gz CSCZUCCSJDTLNU-ZHZULCJRSA-N 0 2 493.453 3.029 40 10 JGCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)c(Cl)c1 ZINC000409067483 570117060 /nfs/dbraw/zinc/11/70/60/570117060.db2.gz DGPVFIWKWRMYAF-LDADJPATSA-N 0 2 498.900 3.480 40 10 JGCBLN CCOc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3cccc(Br)c3)C1=O)OCO2 ZINC000409111209 570132165 /nfs/dbraw/zinc/13/21/65/570132165.db2.gz AVVJNNOJKFTKTJ-NSIKDUERSA-N 0 2 459.252 3.243 40 10 JGCBLN CCOC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c1 ZINC000409223071 570175113 /nfs/dbraw/zinc/17/51/13/570175113.db2.gz YRPDOBBPQZHSQX-FYJGNVAPSA-N 0 2 458.474 3.332 40 10 JGCBLN O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c2ccccc21)Nc1ccccc1 ZINC000409228404 570176721 /nfs/dbraw/zinc/17/67/21/570176721.db2.gz YLXFFOOZRAHHOY-FYJGNVAPSA-N 0 2 465.469 3.341 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1OC(C)C ZINC000409238887 570181046 /nfs/dbraw/zinc/18/10/46/570181046.db2.gz OFAMVOFKBQFQGY-VGOFMYFVSA-N 0 2 460.284 3.306 40 10 JGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3Br)C2=O)c1 ZINC000408532393 570188501 /nfs/dbraw/zinc/18/85/01/570188501.db2.gz MNHLZLQMJLQIKR-DHZHZOJOSA-N 0 2 470.283 3.227 40 10 JGCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc([N+](=O)[O-])cc3O)C2=O)c(C)cc1Br ZINC000408538165 570191123 /nfs/dbraw/zinc/19/11/23/570191123.db2.gz JXOAZZSBZYIPIE-XYOKQWHBSA-N 0 2 475.255 3.259 40 10 JGCBLN CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)C(=O)Nc1ccccc1C ZINC000043910663 563171303 /nfs/dbraw/zinc/17/13/03/563171303.db2.gz WITQEAPGFUVEIQ-JMSHBIQUSA-N 0 2 451.508 3.871 40 10 JGCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OCC#N ZINC000034705052 569649486 /nfs/dbraw/zinc/64/94/86/569649486.db2.gz NUKQJTLYWIWGJB-GDNBJRDFSA-N 0 2 489.269 3.054 40 10 JGCBLN CC(Nc1ccc(S(N)(=O)=O)cc1)=C1C(=O)N(c2ccc([N+](=O)[O-])cc2)N=C1c1ccccc1 ZINC000103921107 569839261 /nfs/dbraw/zinc/83/92/61/569839261.db2.gz KULUNNCDNDNVLT-QNGOZBTKSA-N 0 2 477.502 3.379 40 10 JGCBLN CC(=Nc1ccc(S(N)(=O)=O)cc1)c1c(-c2ccccc2)[nH]n(-c2ccc([N+](=O)[O-])cc2)c1=O ZINC000103921107 569839262 /nfs/dbraw/zinc/83/92/62/569839262.db2.gz KULUNNCDNDNVLT-QNGOZBTKSA-N 0 2 477.502 3.379 40 10 JGCBLN COC(=O)Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccccc1C(=O)OC ZINC000103920250 569839298 /nfs/dbraw/zinc/83/92/98/569839298.db2.gz NRLBBQWDTFGXHO-MOSHPQCFSA-N 0 2 452.423 3.033 40 10 JGCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OC(C)=O ZINC000107876365 569857712 /nfs/dbraw/zinc/85/77/12/569857712.db2.gz VLJTVYIPDYKDNP-JYRVWZFOSA-N 0 2 465.687 3.498 40 10 JGCBLN COC(=O)c1cc(N=C(C)C2C(C)=NN(c3ccc([N+](=O)[O-])cc3)C2=O)cc(C(=O)OC)c1 ZINC000112295446 569861229 /nfs/dbraw/zinc/86/12/29/569861229.db2.gz RRTUOABKSYDBEI-UNOMPAQXSA-N 0 2 452.423 3.277 40 10 JGCBLN COC(=O)c1cc(N=C(C)c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc(C(=O)OC)c1 ZINC000112295446 569861230 /nfs/dbraw/zinc/86/12/30/569861230.db2.gz RRTUOABKSYDBEI-UNOMPAQXSA-N 0 2 452.423 3.277 40 10 JGCBLN COC(=O)c1cc(NC(C)=C2C(C)=NN(c3ccc([N+](=O)[O-])cc3)C2=O)cc(C(=O)OC)c1 ZINC000112295446 569861231 /nfs/dbraw/zinc/86/12/31/569861231.db2.gz RRTUOABKSYDBEI-UNOMPAQXSA-N 0 2 452.423 3.277 40 10 JGCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O ZINC000408740763 570032035 /nfs/dbraw/zinc/03/20/35/570032035.db2.gz HYTOQEMRXIUGHJ-PCJMVEANSA-N 0 2 497.374 3.471 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)cc(Br)c1O ZINC000408742779 570032662 /nfs/dbraw/zinc/03/26/62/570032662.db2.gz YDMFGOXDSMUXGN-RIYZIHGNSA-N 0 2 461.268 3.228 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 ZINC000408757756 570035886 /nfs/dbraw/zinc/03/58/86/570035886.db2.gz QQNGHQBMWJCHDB-FYJGNVAPSA-N 0 2 475.461 3.462 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)c([N+](=O)[O-])cc1OC ZINC000408764317 570037698 /nfs/dbraw/zinc/03/76/98/570037698.db2.gz SYWDSVWCIZOFRZ-NTUHNPAUSA-N 0 2 490.266 3.349 40 10 JGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1Br ZINC000408802078 570045985 /nfs/dbraw/zinc/04/59/85/570045985.db2.gz CRKNMKUTUQALEY-XNTDXEJSSA-N 0 2 473.279 3.301 40 10 JGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1Br ZINC000408810527 570048983 /nfs/dbraw/zinc/04/89/83/570048983.db2.gz TUVCWIWXPMLSDU-RIYZIHGNSA-N 0 2 460.240 3.422 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCCC4)o3)C2=O)cc1 ZINC000408854478 570056120 /nfs/dbraw/zinc/05/61/20/570056120.db2.gz GLSPKKIXDYFONU-XNTDXEJSSA-N 0 2 460.284 3.317 40 10 JGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)cc1I ZINC000408905180 570070478 /nfs/dbraw/zinc/07/04/78/570070478.db2.gz USWWMEABDKYWSF-FMIVXFBMSA-N 0 2 480.233 3.495 40 10 JGCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1Cl ZINC000408913114 570073820 /nfs/dbraw/zinc/07/38/20/570073820.db2.gz SOVXABOQLCFQLO-WLRTZDKTSA-N 0 2 467.236 3.351 40 10 JGCBLN COc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 ZINC000408956792 570084968 /nfs/dbraw/zinc/08/49/68/570084968.db2.gz YMACEEFSQAFAJZ-RGVLZGJSSA-N 0 2 459.458 3.498 40 10 JGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(=O)OC)c(OC)c3)C2=O)cc1 ZINC000408984199 570091713 /nfs/dbraw/zinc/09/17/13/570091713.db2.gz PZPJARBCKUZZNE-SXGWCWSVSA-N 0 2 472.881 3.129 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409054440 570111158 /nfs/dbraw/zinc/11/11/58/570111158.db2.gz GCPRJVDJDPUNKQ-DEDYPNTBSA-N 0 2 487.468 3.085 40 10 JGCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000409073675 570119239 /nfs/dbraw/zinc/11/92/39/570119239.db2.gz WVVLARKZPSMYQC-CPNJWEJPSA-N 0 2 498.900 3.480 40 10 JGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OCC)c(O)c([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409216311 570172722 /nfs/dbraw/zinc/17/27/22/570172722.db2.gz GWDYSOKNXVXWQN-OQLLNIDSSA-N 0 2 485.449 3.163 40 10 JGCBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OCC(N)=O)c(Cl)c3)C2=O)cc1Cl ZINC000409217912 570173369 /nfs/dbraw/zinc/17/33/69/570173369.db2.gz FSARIQDUQUNHEE-UUILKARUSA-N 0 2 482.707 3.486 40 10 JGCBLN CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1OCC ZINC000409236429 570179922 /nfs/dbraw/zinc/17/99/22/570179922.db2.gz GBONMZITODLHPD-RIYZIHGNSA-N 0 2 460.284 3.308 40 10 JGCBLN O=c1[nH]c2cc(Br)c(NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2[nH]1 ZINC000408526734 570186121 /nfs/dbraw/zinc/18/61/21/570186121.db2.gz CGVIQHJORSETPW-YFHOEESVSA-N 0 2 476.674 3.263 40 10 JGCBLN CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)cc2n(CC)c1=O ZINC000408527310 570186442 /nfs/dbraw/zinc/18/64/42/570186442.db2.gz DHSMTXWIXRFZFH-VBKFSLOCSA-N 0 2 453.886 3.075 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4)c3)C2=O)cc1 ZINC000409256427 570186963 /nfs/dbraw/zinc/18/69/63/570186963.db2.gz ONWZPTBPBLAJBC-PXLXIMEGSA-N 0 2 471.469 3.379 40 10 JGCBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c(N3CCCC3)cc2[nH]1 ZINC000408530008 570187473 /nfs/dbraw/zinc/18/74/73/570187473.db2.gz KSKQICGKIWARFK-VAWYXSNFSA-N 0 2 466.885 3.101 40 10 JGCBLN CC1(C)C[C@@H](O)C[C@](C)(CNC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000019832590 555506376 /nfs/dbraw/zinc/50/63/76/555506376.db2.gz SRTNTYUGBUHPJO-ASPMODFSSA-N 0 2 464.360 3.083 40 10 JGCBLN O=C(Nc1ccccc1NC=C1C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O)C(F)(F)F ZINC000100954421 569777852 /nfs/dbraw/zinc/77/78/52/569777852.db2.gz HVZVFLIUQOEIIK-XFXZXTDPSA-N 0 2 452.776 3.420 40 10 JGCBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccccc1C ZINC000104123637 569841135 /nfs/dbraw/zinc/84/11/35/569841135.db2.gz ZIKAYCNSRMNLHB-AWZKZOKMSA-N 0 2 458.525 3.327 40 10 JGCBLN COc1ccccc1NC(=O)C(=NNc1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O ZINC000104123853 569841378 /nfs/dbraw/zinc/84/13/78/569841378.db2.gz CLUFLVVIKVLHIG-DUPNKOKHSA-N 0 2 474.524 3.028 40 10 JGCBLN COc1ccccc1NC(=O)[C@H](N=Nc1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O ZINC000104123853 569841379 /nfs/dbraw/zinc/84/13/79/569841379.db2.gz CLUFLVVIKVLHIG-DUPNKOKHSA-N 0 2 474.524 3.028 40 10 JGCBLN CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(OC)cc2)C1=O ZINC000107881668 569857786 /nfs/dbraw/zinc/85/77/86/569857786.db2.gz CDGANIITKQHZPV-WJDWOHSUSA-N 0 2 473.279 3.440 40 10 JGCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c1O ZINC000408774067 570039585 /nfs/dbraw/zinc/03/95/85/570039585.db2.gz VOHWFBZIKIVHPF-OVCLIPMQSA-N 0 2 492.269 3.289 40 10 JGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(N4CCOCC4)o3)C2=O)cc1 ZINC000408858500 570056918 /nfs/dbraw/zinc/05/69/18/570056918.db2.gz PLZLCVUCCVYHMF-LFIBNONCSA-N 0 2 474.311 3.108 40 10 JGCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(O)c(OC)c3)C2=O)cc1 ZINC000408884528 570064031 /nfs/dbraw/zinc/06/40/31/570064031.db2.gz XMCKQAKTOQGBAN-RIYZIHGNSA-N 0 2 489.278 3.006 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc(I)c1O ZINC000408890647 570065627 /nfs/dbraw/zinc/06/56/27/570065627.db2.gz XCUBQQUGZPAFIK-MDWZMJQESA-N 0 2 478.242 3.062 40 10 JGCBLN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000408891769 570065895 /nfs/dbraw/zinc/06/58/95/570065895.db2.gz VDEJLOXQCBTVQQ-XSFVSMFZSA-N 0 2 478.482 3.135 40 10 JGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1I ZINC000408904394 570070324 /nfs/dbraw/zinc/07/03/24/570070324.db2.gz IVCYLSWLILEIIE-RIYZIHGNSA-N 0 2 480.233 3.495 40 10 JGCBLN Cc1cc(Br)ccc1N1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)NC1=S ZINC000408904444 570070340 /nfs/dbraw/zinc/07/03/40/570070340.db2.gz JNFOKEMUFZBABV-KPKJPENVSA-N 0 2 462.281 3.203 40 10 JGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc(Cl)cc(I)c1O ZINC000408964467 570086973 /nfs/dbraw/zinc/08/69/73/570086973.db2.gz HCACBWNVZRLOMN-WUXMJOGZSA-N 0 2 486.624 3.456 40 10 JGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(OC)c3O)C2=O)cc1 ZINC000408981805 570090987 /nfs/dbraw/zinc/09/09/87/570090987.db2.gz CPXGVLUHJLGECK-DHDCSXOGSA-N 0 2 492.269 3.234 40 10 JGCBLN COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccc(Br)cc3C)C1=O)OCO2 ZINC000409095758 570126581 /nfs/dbraw/zinc/12/65/81/570126581.db2.gz IQNUMMWSYZDGFT-MLPAPPSSSA-N 0 2 459.252 3.161 40 10 JGCBLN Cc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O ZINC000409097221 570127112 /nfs/dbraw/zinc/12/71/12/570127112.db2.gz NFTNSZQPQOMYJH-CPNJWEJPSA-N 0 2 470.323 3.261 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)cc3Br)C2=O)cc1 ZINC000409209019 570168486 /nfs/dbraw/zinc/16/84/86/570168486.db2.gz FCFUXVVKSIRALX-RIYZIHGNSA-N 0 2 461.268 3.141 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409222605 570175009 /nfs/dbraw/zinc/17/50/09/570175009.db2.gz CNBBPADNEUMAEA-NYYWCZLTSA-N 0 2 498.706 3.186 40 10 JGCBLN O=C1NC(=O)N(c2cccnc2)C(=O)/C1=C/c1cccn1-c1ccc(I)cc1 ZINC000409243874 570183255 /nfs/dbraw/zinc/18/32/55/570183255.db2.gz VRBCLKQDOXPLGR-GZTJUZNOSA-N 0 2 484.253 3.143 40 10 JGCBLN COc1cc(N2N=C(C)C(C=Nc3cc4c(cc3[N+](=O)[O-])n(C)c(=O)n4C)C2=O)ccc1Cl ZINC000408527268 570186395 /nfs/dbraw/zinc/18/63/95/570186395.db2.gz FPGCXDGMYBUVSI-RAXLEYEMSA-N 0 2 470.873 3.166 40 10 JGCBLN CN(C)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2cccc3ccccc32)C1=O ZINC000408531649 570188156 /nfs/dbraw/zinc/18/81/56/570188156.db2.gz OTNJSGOJCGQCNO-NTCAYCPXSA-N 0 2 456.462 3.067 40 10 JGCBLN CCOC(=O)c1sc(NC=C2C(=O)NC(=O)N(c3ccccc3C)C2=O)c(C(=O)OCC)c1C ZINC000408533597 570189102 /nfs/dbraw/zinc/18/91/02/570189102.db2.gz OMUJZOBGMJETBT-SDNWHVSQSA-N 0 2 485.518 3.297 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3cc(C)c(C)cc3Br)C2=O)cc1 ZINC000408536036 570190173 /nfs/dbraw/zinc/19/01/73/570190173.db2.gz VIGRGQFYLHRYAJ-GDNBJRDFSA-N 0 2 487.310 3.363 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)cc(OC)c3O)C2=O)cc1 ZINC000016691679 521037443 /nfs/dbraw/zinc/03/74/43/521037443.db2.gz XXBWXISURWDINM-OQLLNIDSSA-N 0 2 461.268 3.228 40 10 JGCBLN COC(=O)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000020287725 555756237 /nfs/dbraw/zinc/75/62/37/555756237.db2.gz FYYPAIWLVNHABN-XKZIYDEJSA-N 0 2 485.468 3.281 40 10 JGCBLN COc1ccc(C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])cc1 ZINC000033598259 569628509 /nfs/dbraw/zinc/62/85/09/569628509.db2.gz FKTQBBYOYUHYFG-RGEXLXHISA-N 0 2 459.414 3.284 40 10 JGCBLN O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])Nc1cccc(F)c1 ZINC000033720948 569631971 /nfs/dbraw/zinc/63/19/71/569631971.db2.gz KLYIXPUSSWDLTE-UNOMPAQXSA-N 0 2 476.420 3.213 40 10 JGCBLN O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])Nc1ccccc1 ZINC000033720805 569632021 /nfs/dbraw/zinc/63/20/21/569632021.db2.gz XPBQKYPDBJZCSZ-RGEXLXHISA-N 0 2 458.430 3.074 40 10 JGCBLN COC(=O)COc1c(Cl)c(Br)c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1OC ZINC000035088237 569674701 /nfs/dbraw/zinc/67/47/01/569674701.db2.gz PHYPOIAJBQIMLH-JYRVWZFOSA-N 0 2 495.713 3.124 40 10 JGCBLN NC(=O)Cn1cc(C=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 ZINC000096835857 569743305 /nfs/dbraw/zinc/74/33/05/569743305.db2.gz WUQLWJQEBASFFN-CXUHLZMHSA-N 0 2 467.279 3.396 40 10 JGCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1Br ZINC000408768233 570038272 /nfs/dbraw/zinc/03/82/72/570038272.db2.gz VHXPGFBHDUGJPN-MHWRWJLKSA-N 0 2 487.306 3.366 40 10 JGCBLN CCOC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OCC ZINC000408774520 570039781 /nfs/dbraw/zinc/03/97/81/570039781.db2.gz WDXZMBBQGPJSTN-XDHOZWIPSA-N 0 2 466.490 3.310 40 10 JGCBLN CCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2cc(OC)c(Cl)cc2OC)C1=O ZINC000408831437 570052814 /nfs/dbraw/zinc/05/28/14/570052814.db2.gz ZPVIVJPNNMDHDC-RIYZIHGNSA-N 0 2 460.870 3.431 40 10 JGCBLN COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408851937 570055779 /nfs/dbraw/zinc/05/57/79/570055779.db2.gz BWVJOHFJKFNNIU-LICLKQGHSA-N 0 2 487.306 3.284 40 10 JGCBLN CCOc1cc(I)cc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c1 ZINC000408866602 570058352 /nfs/dbraw/zinc/05/83/52/570058352.db2.gz HDEPGRKEYMFIPN-ZROIWOOFSA-N 0 2 480.233 3.495 40 10 JGCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000408874297 570060606 /nfs/dbraw/zinc/06/06/06/570060606.db2.gz AYYKSFZDBXYJAG-CXUHLZMHSA-N 0 2 462.243 3.275 40 10 JGCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000408882952 570063490 /nfs/dbraw/zinc/06/34/90/570063490.db2.gz OTMAUZBGKANKPC-CXUHLZMHSA-N 0 2 462.243 3.275 40 10 JGCBLN COC(=O)c1ccccc1-c1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)o1 ZINC000408948986 570083684 /nfs/dbraw/zinc/08/36/84/570083684.db2.gz HQYRRGHXWMEUSD-GZTJUZNOSA-N 0 2 460.398 3.128 40 10 JGCBLN Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)cc2)cc1 ZINC000408947414 570083698 /nfs/dbraw/zinc/08/36/98/570083698.db2.gz CLNMLHKGNBMEPO-CIAFOILYSA-N 0 2 499.479 3.408 40 10 JGCBLN Cc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408966463 570087654 /nfs/dbraw/zinc/08/76/54/570087654.db2.gz MVIKSXGEBBEVLY-RGVLZGJSSA-N 0 2 498.948 3.061 40 10 JGCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCOCC3)cc2)C1=O ZINC000409093872 570125896 /nfs/dbraw/zinc/12/58/96/570125896.db2.gz BFWRHXDJGROZLQ-QGOAFFKASA-N 0 2 470.323 3.261 40 10 JGCBLN Cc1ccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000409217700 570173321 /nfs/dbraw/zinc/17/33/21/570173321.db2.gz FKKZTVZPNASHKZ-KGENOOAVSA-N 0 2 471.469 3.385 40 10 JGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(OC)c(N3CCCC3)cc2OC)C1=O ZINC000409231807 570178043 /nfs/dbraw/zinc/17/80/43/570178043.db2.gz KVAVQCUFWRLSHY-GHRIWEEISA-N 0 2 465.506 3.369 40 10 JGCBLN Cc1ccccc1NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000409264526 570188202 /nfs/dbraw/zinc/18/82/02/570188202.db2.gz KSICEUKYFZXOEI-STZFKDTASA-N 0 2 471.469 3.385 40 10 JGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)C2=O)c1 ZINC000408532783 570188669 /nfs/dbraw/zinc/18/86/69/570188669.db2.gz RAHOQEAYNXJCNQ-NTCAYCPXSA-N 0 2 460.494 3.064 40 10 JGCBLN CCOc1cc(/C=C2\SC(=S)N(NC(=O)c3cccs3)C2=O)cc([N+](=O)[O-])c1O ZINC000409327769 570202589 /nfs/dbraw/zinc/20/25/89/570202589.db2.gz MRBSZXYBFJPRNF-JYRVWZFOSA-N 0 2 451.507 3.307 40 10 JGCBLN CC1(C)C[C@H](O)C[C@](C)(CNC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000019832591 555506314 /nfs/dbraw/zinc/50/63/14/555506314.db2.gz SRTNTYUGBUHPJO-QUJIEGTPSA-N 0 2 464.360 3.083 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1OC ZINC000014132658 555700352 /nfs/dbraw/zinc/70/03/52/555700352.db2.gz SPJMCQYRCGAPAP-MDWZMJQESA-N 0 2 492.269 3.283 40 10 JGCBLN Cc1ccccc1NC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-] ZINC000033720807 569632036 /nfs/dbraw/zinc/63/20/36/569632036.db2.gz YDFFOGLBVXPSGU-RGEXLXHISA-N 0 2 472.457 3.382 40 10 JGCBLN COC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1Br ZINC000035107705 569674983 /nfs/dbraw/zinc/67/49/83/569674983.db2.gz ZCNNIVVAANUFDR-QPEQYQDCSA-N 0 2 465.687 3.116 40 10 JGCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCC(=O)Nc1ccccc1 ZINC000108257761 569859302 /nfs/dbraw/zinc/85/93/02/569859302.db2.gz IXKSRTWIJNFNAG-UNOMPAQXSA-N 0 2 488.456 3.082 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Cl)cc3Cl)C2=O)cc([N+](=O)[O-])c1O ZINC000408722995 570027385 /nfs/dbraw/zinc/02/73/85/570027385.db2.gz PFNVAXHYSWOLMA-ONNFQVAWSA-N 0 2 468.274 3.447 40 10 JGCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(OC)c(OC)c3)C2=O)cc1 ZINC000408801397 570045831 /nfs/dbraw/zinc/04/58/31/570045831.db2.gz SUJKTFMEECFCOZ-OQLLNIDSSA-N 0 2 458.854 3.200 40 10 JGCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OCC ZINC000408802580 570046153 /nfs/dbraw/zinc/04/61/53/570046153.db2.gz ZDEDGHKHSHVJEU-QGOAFFKASA-N 0 2 452.463 3.327 40 10 JGCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)c(Br)c3)C2=O)cc1 ZINC000408806439 570047768 /nfs/dbraw/zinc/04/77/68/570047768.db2.gz NDAJJRIXUJNHJV-XNTDXEJSSA-N 0 2 473.279 3.301 40 10 JGCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC)c(OCC)c3)C2=O)cc1 ZINC000408807460 570048021 /nfs/dbraw/zinc/04/80/21/570048021.db2.gz CNVDTISJCKALCX-QGOAFFKASA-N 0 2 452.463 3.327 40 10 JGCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000408846699 570054658 /nfs/dbraw/zinc/05/46/58/570054658.db2.gz ROBUPSXOQPJYKC-OQLLNIDSSA-N 0 2 492.356 3.158 40 10 JGCBLN CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000408849581 570055263 /nfs/dbraw/zinc/05/52/63/570055263.db2.gz WWOGAZMOSAZTFL-AWNIVKPZSA-N 0 2 489.278 3.252 40 10 JGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1 ZINC000409048969 570109492 /nfs/dbraw/zinc/10/94/92/570109492.db2.gz VFQNJGVRCQIQEK-PXLXIMEGSA-N 0 2 499.479 3.157 40 10 JGCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1)Nc1ccccc1 ZINC000409049518 570109499 /nfs/dbraw/zinc/10/94/99/570109499.db2.gz WARVWLYXHWPZNC-KGENOOAVSA-N 0 2 457.442 3.076 40 10 JGCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000409069200 570117615 /nfs/dbraw/zinc/11/76/15/570117615.db2.gz WQNVTUZPFGBOBQ-DEDYPNTBSA-N 0 2 493.453 3.029 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OS(=O)(=O)c4ccccc4)c3)C2=O)cc1 ZINC000409072806 570118907 /nfs/dbraw/zinc/11/89/07/570118907.db2.gz LDXVSIOAYRMKHM-QNGOZBTKSA-N 0 2 478.482 3.129 40 10 JGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000409075557 570119830 /nfs/dbraw/zinc/11/98/30/570119830.db2.gz RQZFSRYUDTUHSK-XSFVSMFZSA-N 0 2 466.446 3.260 40 10 JGCBLN CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000409187155 570160828 /nfs/dbraw/zinc/16/08/28/570160828.db2.gz MVKZJXCUKSLWKY-WOJGMQOQSA-N 0 2 487.306 3.446 40 10 JGCBLN CCCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(O)c([N+](=O)[O-])c3)C2=O)cc1OCC ZINC000409213618 570171181 /nfs/dbraw/zinc/17/11/81/570171181.db2.gz UPVGAYJNLSTZTR-OQLLNIDSSA-N 0 2 485.449 3.163 40 10 JGCBLN Cc1ccc(NC(=O)COC(=O)c2ccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000409214380 570171677 /nfs/dbraw/zinc/17/16/77/570171677.db2.gz STJCZLRLWKNDID-JCMHNJIXSA-N 0 2 483.480 3.457 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)c(OC)c1 ZINC000409216730 570172856 /nfs/dbraw/zinc/17/28/56/570172856.db2.gz KWHDJTLBCVVZRK-DEDYPNTBSA-N 0 2 488.500 3.172 40 10 JGCBLN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c1C ZINC000409242894 570182713 /nfs/dbraw/zinc/18/27/13/570182713.db2.gz WONBCIHIFDWKHY-UDWIEESQSA-N 0 2 458.474 3.251 40 10 JGCBLN COc1cc(Br)ccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408533202 570188941 /nfs/dbraw/zinc/18/89/41/570188941.db2.gz RRKWINYHOMOXRO-XNTDXEJSSA-N 0 2 487.310 3.363 40 10 JGCBLN CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)cc2n(CC)c1=O ZINC000408533503 570189075 /nfs/dbraw/zinc/18/90/75/570189075.db2.gz SSTFUPCRFIIMEC-WYMLVPIESA-N 0 2 453.886 3.075 40 10 JGCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(I)c1O ZINC000015012465 521946296 /nfs/dbraw/zinc/94/62/96/521946296.db2.gz CDLDUGHRSNFQKV-AUWJEWJLSA-N 0 2 492.269 3.289 40 10 JGCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(O)c(I)c1 ZINC000015012449 527048101 /nfs/dbraw/zinc/04/81/01/527048101.db2.gz PUQVTTKWGNPMPE-GHXNOFRVSA-N 0 2 468.634 3.317 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)cc(I)c1O ZINC000014133059 555700605 /nfs/dbraw/zinc/70/06/05/555700605.db2.gz XNFRNBLFVQMOLZ-MDWZMJQESA-N 0 2 492.269 3.370 40 10 JGCBLN COC(=O)Cc1[nH]n(-c2ccc(OC)cc2)c(=O)c1C(C)=Nc1cc(OC)c(OC)cc1C(=O)OC ZINC000020287722 555756167 /nfs/dbraw/zinc/75/61/67/555756167.db2.gz QMAYDKJBHXPUIM-UCQKPKSFSA-N 0 2 497.504 3.151 40 10 JGCBLN O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1F ZINC000033367310 569625130 /nfs/dbraw/zinc/62/51/30/569625130.db2.gz PKLDRIAMKZWMIL-AQTBWJFISA-N 0 2 476.420 3.213 40 10 JGCBLN O=C(Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])c1ccc2c(c1)OCO2 ZINC000035331730 569681003 /nfs/dbraw/zinc/68/10/03/569681003.db2.gz IQROTKMKSFJLAT-BOPFTXTBSA-N 0 2 473.397 3.004 40 10 JGCBLN COc1ccccc1NC(=O)C(=NNc1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O ZINC000104123843 569841395 /nfs/dbraw/zinc/84/13/95/569841395.db2.gz CLUFLVVIKVLHIG-AWZKZOKMSA-N 0 2 474.524 3.028 40 10 JGCBLN COc1ccccc1NC(=O)[C@@H](N=Nc1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O ZINC000104123843 569841396 /nfs/dbraw/zinc/84/13/96/569841396.db2.gz CLUFLVVIKVLHIG-AWZKZOKMSA-N 0 2 474.524 3.028 40 10 JGCBLN NC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3Cl)C2=O)c2ccccc21 ZINC000107651807 569856890 /nfs/dbraw/zinc/85/68/90/569856890.db2.gz IVKFQFZVRCWQSM-VGOFMYFVSA-N 0 2 457.273 3.100 40 10 JGCBLN CCC(=O)Oc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(I)cc2)C1=O ZINC000108256825 569859252 /nfs/dbraw/zinc/85/92/52/569859252.db2.gz ISAISKNFBBVUOZ-PTNGSMBKSA-N 0 2 490.253 3.273 40 10 JGCBLN COC(=O)Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc(OC)ccc1OC ZINC000112294814 569861166 /nfs/dbraw/zinc/86/11/66/569861166.db2.gz FBJZHMISTNRGGI-BKUYFWCQSA-N 0 2 454.439 3.264 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3c(C)nn(-c4cccc([N+](=O)[O-])c4)c3C)C2=O)cc1 ZINC000408758146 570036026 /nfs/dbraw/zinc/03/60/26/570036026.db2.gz WABPCFDKPJGQCJ-NDENLUEZSA-N 0 2 461.434 3.072 40 10 JGCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC(C)C)c(OC)c3)C2=O)cc1 ZINC000408803707 570046576 /nfs/dbraw/zinc/04/65/76/570046576.db2.gz SJJXARXNRBBDJZ-LDADJPATSA-N 0 2 452.463 3.326 40 10 JGCBLN COC(=O)c1ccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)c(C)c1 ZINC000408851509 570055625 /nfs/dbraw/zinc/05/56/25/570055625.db2.gz CFWPCXMGEWFVHJ-WOJGMQOQSA-N 0 2 474.425 3.437 40 10 JGCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)c(O)c(Br)c1 ZINC000408851568 570055683 /nfs/dbraw/zinc/05/56/83/570055683.db2.gz CYKXOWWFNGSHCA-XCVCLJGOSA-N 0 2 465.643 3.203 40 10 JGCBLN 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ZINC000408938386 570082042 /nfs/dbraw/zinc/08/20/42/570082042.db2.gz QHKVBWIQAQOUBI-STZFKDTASA-N 0 2 478.482 3.135 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1OC ZINC000408945378 570083435 /nfs/dbraw/zinc/08/34/35/570083435.db2.gz WJLUUCGKTQTBNS-RIYZIHGNSA-N 0 2 490.266 3.431 40 10 JGCBLN Cc1cc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1 ZINC000408947251 570083610 /nfs/dbraw/zinc/08/36/10/570083610.db2.gz BLHCZMPNNXOQHB-GRSHGNNSSA-N 0 2 474.429 3.397 40 10 JGCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(Br)o1 ZINC000408954622 570084718 /nfs/dbraw/zinc/08/47/18/570084718.db2.gz RYEJEMLWVNUAFJ-RUDMXATFSA-N 0 2 484.056 3.200 40 10 JGCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408967527 570087988 /nfs/dbraw/zinc/08/79/88/570087988.db2.gz TWCYZCMGMVZSFF-LPYMAVHISA-N 0 2 492.557 3.025 40 10 JGCBLN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000408984495 570091801 /nfs/dbraw/zinc/09/18/01/570091801.db2.gz RMRNRSKDRIXFPX-UYRXBGFRSA-N 0 2 466.490 3.256 40 10 JGCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccccc1 ZINC000409041580 570107640 /nfs/dbraw/zinc/10/76/40/570107640.db2.gz KBDBCEXPQHGKHU-XSFVSMFZSA-N 0 2 457.442 3.076 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)cc1 ZINC000409203928 570166614 /nfs/dbraw/zinc/16/66/14/570166614.db2.gz ZDQBHYUSBYYTHL-KGENOOAVSA-N 0 2 458.474 3.164 40 10 JGCBLN COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC ZINC000409211625 570170169 /nfs/dbraw/zinc/17/01/69/570170169.db2.gz MDWQIMSJAAZLLQ-NTUHNPAUSA-N 0 2 476.239 3.041 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)cc(Cl)c1OCC(N)=O ZINC000409219426 570173805 /nfs/dbraw/zinc/17/38/05/570173805.db2.gz QKIWBROTJUFJFR-NTUHNPAUSA-N 0 2 492.315 3.231 40 10 JGCBLN CCOc1cc(OCC)c(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc1Br ZINC000409237010 570180114 /nfs/dbraw/zinc/18/01/14/570180114.db2.gz UNQFTBDHWRBMCJ-RIYZIHGNSA-N 0 2 460.284 3.308 40 10 JGCBLN COC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c(C)c1 ZINC000409238833 570181013 /nfs/dbraw/zinc/18/10/13/570181013.db2.gz NYOLLZFDOOAMOC-UDWIEESQSA-N 0 2 458.474 3.251 40 10 JGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(Br)cc3)C2=O)c1 ZINC000408527161 570186255 /nfs/dbraw/zinc/18/62/55/570186255.db2.gz FECDEBOVMYLSMO-XNTDXEJSSA-N 0 2 457.284 3.354 40 10 JGCBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccccc4Cl)C3=O)c(N3CCCCC3)cc2[nH]1 ZINC000408531892 570188289 /nfs/dbraw/zinc/18/82/89/570188289.db2.gz OXZQSADMIOUEOO-OUKQBFOZSA-N 0 2 480.912 3.491 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CN=c3[nH]c4ccc(OCC)cc4s3)C2=O)cc1 ZINC000408534980 570189757 /nfs/dbraw/zinc/18/97/57/570189757.db2.gz RZUGPDVCVLZIIA-FOWTUZBSSA-N 0 2 452.492 3.673 40 10 JGCBLN CC1(C)C[C@@H](O)C[C@@](C)(CNC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000006232548 520529254 /nfs/dbraw/zinc/52/92/54/520529254.db2.gz SRTNTYUGBUHPJO-XVPPVNSVSA-N 0 2 464.360 3.083 40 10 JGCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O ZINC000015012447 521945434 /nfs/dbraw/zinc/94/54/34/521945434.db2.gz MITRYAAFUWVPCV-SDQBBNPISA-N 0 2 451.660 3.483 40 10 JGCBLN COc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc(Cl)c1O ZINC000001203896 521947263 /nfs/dbraw/zinc/94/72/63/521947263.db2.gz JUQBIMCKNILWKA-SDQBBNPISA-N 0 2 451.660 3.483 40 10 JGCBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(I)c3)C2=O)c1 ZINC000009311367 555087728 /nfs/dbraw/zinc/08/77/28/555087728.db2.gz CMYTTYQVEHHFKK-ZSOIEALJSA-N 0 2 462.243 3.280 40 10 JGCBLN COC(=O)Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cccc(OC)c1OC ZINC000020287748 555756463 /nfs/dbraw/zinc/75/64/63/555756463.db2.gz TTZOHIWXUSPDOF-MOSHPQCFSA-N 0 2 454.439 3.264 40 10 JGCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1OCc1ccc2c(c1)OCO2 ZINC000034848934 569667055 /nfs/dbraw/zinc/66/70/55/569667055.db2.gz AWIZEZQTJRXNCP-UNOMPAQXSA-N 0 2 459.414 3.364 40 10 JGCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccc(OCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 ZINC000035078470 569674338 /nfs/dbraw/zinc/67/43/38/569674338.db2.gz LJTBTCNJNFZWLX-ZDLGFXPLSA-N 0 2 459.414 3.364 40 10 JGCBLN CC(C)OC(=O)COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000035203049 569678239 /nfs/dbraw/zinc/67/82/39/569678239.db2.gz CBZKTJYHDYXWNH-SXGWCWSVSA-N 0 2 459.842 3.040 40 10 JGCBLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccco3)N=C2c2ccccc2)cc1 ZINC000036692410 569780059 /nfs/dbraw/zinc/78/00/59/569780059.db2.gz VBXDMHZQIWFGDS-SINAZASISA-N 0 2 495.495 3.263 40 10 JGCBLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccco3)N=C2c2ccccc2)cc1 ZINC000036692410 569780060 /nfs/dbraw/zinc/78/00/60/569780060.db2.gz VBXDMHZQIWFGDS-SINAZASISA-N 0 2 495.495 3.263 40 10 JGCBLN CCOC(=O)c1ccc(N=C(C)c2c(CC(=O)OC)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)cc1 ZINC000103919969 569839127 /nfs/dbraw/zinc/83/91/27/569839127.db2.gz PEKVIHDZSSAPCP-STZFKDTASA-N 0 2 466.450 3.423 40 10 JGCBLN COc1ccccc1NC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(C)=O ZINC000104124249 569841594 /nfs/dbraw/zinc/84/15/94/569841594.db2.gz MAIDSLDCLFVCHE-KABLAESSSA-N 0 2 482.522 3.274 40 10 JGCBLN O=C(Oc1c(/C=C2\C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000107854346 569857640 /nfs/dbraw/zinc/85/76/40/569857640.db2.gz LMIAXAROFQIHEH-AQTBWJFISA-N 0 2 474.385 3.184 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OC)c([N+](=O)[O-])c3)C2=O)cc1 ZINC000408739283 570031465 /nfs/dbraw/zinc/03/14/65/570031465.db2.gz AXOXBKVFCFFFEU-RIYZIHGNSA-N 0 2 490.266 3.431 40 10 JGCBLN COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000408767826 570038234 /nfs/dbraw/zinc/03/82/34/570038234.db2.gz PGLBBAHIAPDLEV-OQLLNIDSSA-N 0 2 493.697 3.321 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)ccc1OC ZINC000408771236 570038869 /nfs/dbraw/zinc/03/88/69/570038869.db2.gz DTAONJIMYFRSKX-MDWZMJQESA-N 0 2 460.870 3.431 40 10 JGCBLN CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000408811758 570049264 /nfs/dbraw/zinc/04/92/64/570049264.db2.gz KSBWUIXPHLLKOA-VGOFMYFVSA-N 0 2 490.266 3.431 40 10 JGCBLN COC(=O)c1cccc(-c2ccc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)o2)c1C ZINC000408851036 570055647 /nfs/dbraw/zinc/05/56/47/570055647.db2.gz UVHVMWKQGDPAPM-WOJGMQOQSA-N 0 2 474.425 3.437 40 10 JGCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Br)c(N2CCCC2)o1 ZINC000408856282 570056492 /nfs/dbraw/zinc/05/64/92/570056492.db2.gz QAEFOSKCVTWDCI-MDWZMJQESA-N 0 2 474.267 3.037 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(I)cc(OC)c3)C2=O)cc1 ZINC000408866937 570058343 /nfs/dbraw/zinc/05/83/43/570058343.db2.gz IMTZCFALQLNQFL-LICLKQGHSA-N 0 2 492.269 3.365 40 10 JGCBLN Cc1ccc(S(=O)(=O)Oc2ccc(/C=C3\C(=O)NC(=O)N(c4ccccc4)C3=O)cc2)cc1 ZINC000408886137 570064588 /nfs/dbraw/zinc/06/45/88/570064588.db2.gz IIIQPNHYTRIIQR-RCCKNPSSSA-N 0 2 462.483 3.429 40 10 JGCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Cl)c(O)c(OCC)c3)C2=O)cc1 ZINC000408892233 570066050 /nfs/dbraw/zinc/06/60/50/570066050.db2.gz YCVIEOFPCDLBHK-OQLLNIDSSA-N 0 2 458.854 3.287 40 10 JGCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C\c1cc(Br)cc(Cl)c1O ZINC000408947870 570083718 /nfs/dbraw/zinc/08/37/18/570083718.db2.gz DIPHPZDYBGTXKV-WCIBSUBMSA-N 0 2 465.643 3.203 40 10 JGCBLN O=C(COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1)Nc1ccccc1 ZINC000408952341 570084343 /nfs/dbraw/zinc/08/43/43/570084343.db2.gz NJWFJFHBLDOAOH-UDWIEESQSA-N 0 2 485.452 3.099 40 10 JGCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1cc(Br)c(I)o1 ZINC000408956062 570085034 /nfs/dbraw/zinc/08/50/34/570085034.db2.gz ZVAZJDJPKKHYQD-UXBLZVDNSA-N 0 2 487.047 3.313 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)Nc4ccccc4)cc3)C2=O)cc1 ZINC000409045617 570108685 /nfs/dbraw/zinc/10/86/85/570108685.db2.gz ZVQBLACHMQGTFA-PXLXIMEGSA-N 0 2 471.469 3.379 40 10 JGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409073632 570119190 /nfs/dbraw/zinc/11/91/90/570119190.db2.gz QSYYNMFPNWNKHA-ZHZULCJRSA-N 0 2 466.446 3.260 40 10 JGCBLN CCOC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3OCC)C2=O)c2ccccc21 ZINC000409240918 570181877 /nfs/dbraw/zinc/18/18/77/570181877.db2.gz MDPNICDIWYUPSH-QGOAFFKASA-N 0 2 461.474 3.270 40 10 JGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(C)n(-c3ccc(C(N)=O)cc3)c2C)C1=O ZINC000409243911 570183253 /nfs/dbraw/zinc/18/32/53/570183253.db2.gz YWKPEKGANSWCKR-XSFVSMFZSA-N 0 2 472.501 3.258 40 10 JGCBLN COC(=O)Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3C)C2=O)c2ccccc21 ZINC000409247415 570184781 /nfs/dbraw/zinc/18/47/81/570184781.db2.gz CAVCYKQRTLTCBX-MHWRWJLKSA-N 0 2 451.866 3.443 40 10 JGCBLN Cc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000409256709 570186974 /nfs/dbraw/zinc/18/69/74/570186974.db2.gz PAGRMWFOPHWPRP-STZFKDTASA-N 0 2 471.469 3.385 40 10 JGCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCCC3)C2=O)c1 ZINC000408531907 570188193 /nfs/dbraw/zinc/18/81/93/570188193.db2.gz PBQZCRIPNLIKDW-DTQAZKPQSA-N 0 2 460.494 3.146 40 10 JGCBLN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408532465 570188472 /nfs/dbraw/zinc/18/84/72/570188472.db2.gz MURCNCGUYJBPJJ-FOWTUZBSSA-N 0 2 462.510 3.310 40 10 JGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNC(=O)Nc3ccc(Br)cc3)C2=O)cc1C ZINC000408536345 570190407 /nfs/dbraw/zinc/19/04/07/570190407.db2.gz WERXSXJVFQGGNM-MHWRWJLKSA-N 0 2 457.284 3.354 40 10 JGCBLN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Br ZINC000001199247 520800683 /nfs/dbraw/zinc/80/06/83/520800683.db2.gz BAXRXKXIKZADQF-DHDCSXOGSA-N 0 2 491.269 3.197 40 10 JGCBLN O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1 ZINC000032109788 556420255 /nfs/dbraw/zinc/42/02/55/556420255.db2.gz SSOVBTIMWNZZRO-HYLYESJESA-N 0 2 461.215 3.217 40 10 JGCBLN O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])Nc1ccccc1F ZINC000033720811 569631986 /nfs/dbraw/zinc/63/19/86/569631986.db2.gz PCJDJRPFXSYEFE-LGMDPLHJSA-N 0 2 476.420 3.213 40 10 JGCBLN CCOC(=O)[C@@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000034735841 569654081 /nfs/dbraw/zinc/65/40/81/569654081.db2.gz MOKRXLVHXGTRPX-YUSFRKCESA-N 0 2 459.842 3.040 40 10 JGCBLN CCOC(=O)[C@H](C)Oc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(Cl)cc1[N+](=O)[O-] ZINC000034735845 569654110 /nfs/dbraw/zinc/65/41/10/569654110.db2.gz MOKRXLVHXGTRPX-KPENOIPVSA-N 0 2 459.842 3.040 40 10 JGCBLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccco3)N=C2c2ccccc2)cc1 ZINC000036692411 569780104 /nfs/dbraw/zinc/78/01/04/569780104.db2.gz VBXDMHZQIWFGDS-XUKJQLKWSA-N 0 2 495.495 3.263 40 10 JGCBLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccco3)N=C2c2ccccc2)cc1 ZINC000036692411 569780105 /nfs/dbraw/zinc/78/01/05/569780105.db2.gz VBXDMHZQIWFGDS-XUKJQLKWSA-N 0 2 495.495 3.263 40 10 JGCBLN CC(=O)[C@@H](N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccccc1C ZINC000104123625 569841199 /nfs/dbraw/zinc/84/11/99/569841199.db2.gz ZIKAYCNSRMNLHB-LBNMDVIHSA-N 0 2 458.525 3.327 40 10 JGCBLN COc1ccccc1NC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(C)=O ZINC000104124236 569841536 /nfs/dbraw/zinc/84/15/36/569841536.db2.gz MAIDSLDCLFVCHE-MGNQFDOESA-N 0 2 482.522 3.274 40 10 JGCBLN COC(=O)COc1c(Br)cc(Cl)cc1/C=C1/C(=O)NN(c2ccccc2)C1=O ZINC000107884820 569857770 /nfs/dbraw/zinc/85/77/70/569857770.db2.gz POPYYHZZARIZES-ZSOIEALJSA-N 0 2 465.687 3.116 40 10 JGCBLN O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccccc1 ZINC000108188295 569858968 /nfs/dbraw/zinc/85/89/68/569858968.db2.gz ZVLDXNVIZRHUEZ-ZHZULCJRSA-N 0 2 458.430 3.074 40 10 JGCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000408741079 570032144 /nfs/dbraw/zinc/03/21/44/570032144.db2.gz JZXDUAKSUJOGNN-KTZOAPACSA-N 0 2 483.347 3.162 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1OC ZINC000408742660 570032722 /nfs/dbraw/zinc/03/27/22/570032722.db2.gz XQIHHVCEZATIQQ-RIYZIHGNSA-N 0 2 492.269 3.283 40 10 JGCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408760425 570036625 /nfs/dbraw/zinc/03/66/25/570036625.db2.gz YMCXEZZCZQBUSB-PCJMVEANSA-N 0 2 481.306 3.306 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Br)c(C)c3)C2=O)ccc1OC(C)=O ZINC000408765937 570037965 /nfs/dbraw/zinc/03/79/65/570037965.db2.gz RWNIZPLXOHFJIR-OQLLNIDSSA-N 0 2 473.279 3.358 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Cl)c1OC ZINC000408800332 570045351 /nfs/dbraw/zinc/04/53/51/570045351.db2.gz MDZWDKHGMABQSM-OQLLNIDSSA-N 0 2 458.854 3.200 40 10 JGCBLN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OC)cc2)C1=O ZINC000408800679 570045455 /nfs/dbraw/zinc/04/54/55/570045455.db2.gz OKWWWSBVMOVLDB-LFIBNONCSA-N 0 2 473.279 3.301 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1OC ZINC000408804691 570046985 /nfs/dbraw/zinc/04/69/85/570046985.db2.gz GPKOTIQHCWNGAQ-VGOFMYFVSA-N 0 2 490.266 3.431 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc(I)c1O ZINC000408887507 570064819 /nfs/dbraw/zinc/06/48/19/570064819.db2.gz RFHVNMVVZVXZCY-RIYZIHGNSA-N 0 2 492.269 3.370 40 10 JGCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(N4CCCC4)cc3OC)C2=O)c1 ZINC000409104291 570129664 /nfs/dbraw/zinc/12/96/64/570129664.db2.gz CIVVCXDYGPBSGD-XDHOZWIPSA-N 0 2 465.506 3.369 40 10 JGCBLN Cc1ccc(NC(=O)COc2cccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)c2)cc1 ZINC000409222738 570174951 /nfs/dbraw/zinc/17/49/51/570174951.db2.gz DWTXSQVEZXFUEQ-HMAPJEAMSA-N 0 2 471.469 3.385 40 10 JGCBLN Cc1ccc(NC(=O)COc2ccc(/C=C3\C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1 ZINC000409226544 570176043 /nfs/dbraw/zinc/17/60/43/570176043.db2.gz UQJHQNHKWVXOTL-HYARGMPZSA-N 0 2 471.469 3.385 40 10 JGCBLN O=C(Cn1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c2ccccc21)Nc1ccc(F)cc1 ZINC000409243798 570183250 /nfs/dbraw/zinc/18/32/50/570183250.db2.gz ULXDDVDQDSKRJP-CIAFOILYSA-N 0 2 483.459 3.481 40 10 JGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O)c(I)c2)C1=O ZINC000409244519 570183507 /nfs/dbraw/zinc/18/35/07/570183507.db2.gz DXIGBZBHVCDADN-FMIVXFBMSA-N 0 2 478.242 3.062 40 10 JGCBLN O=c1[nH]c2cc(Br)c(NC=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)cc2[nH]1 ZINC000408526441 570185995 /nfs/dbraw/zinc/18/59/95/570185995.db2.gz BJEMXVYZQUXDHS-YFHOEESVSA-N 0 2 476.674 3.263 40 10 JGCBLN Cc1cc(Br)ccc1NC(=O)N/C=C1\C(=O)NC(=O)N(c2ccccc2C)C1=O ZINC000408526758 570186078 /nfs/dbraw/zinc/18/60/78/570186078.db2.gz CHXKNWNLFJZEHY-GXDHUFHOSA-N 0 2 457.284 3.354 40 10 JGCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2ccc3[nH]c(=O)[nH]c3c2)C1=O ZINC000408532931 570188756 /nfs/dbraw/zinc/18/87/56/570188756.db2.gz NDNXQWHNKRTWNN-UKTHLTGXSA-N 0 2 470.283 3.172 40 10 JGCBLN Cc1cccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3Br)C2=O)c1C ZINC000408536722 570190648 /nfs/dbraw/zinc/19/06/48/570190648.db2.gz XOVBFOPOEHVNSU-FLIBITNWSA-N 0 2 470.283 3.227 40 10 JGCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(C)=O)C2=O)c1 ZINC000408537547 570190887 /nfs/dbraw/zinc/19/08/87/570190887.db2.gz WERLVAYEJWQNTP-SXGWCWSVSA-N 0 2 459.252 3.049 40 10 JGCBLN NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cc(Cl)cc(Cl)c4)C3=O)o2)cc1 ZINC000016429450 527306019 /nfs/dbraw/zinc/30/60/19/527306019.db2.gz KXSABOUGLKKBOC-YVLHZVERSA-N 0 2 478.313 3.362 40 10 JGCBLN O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1cccc(F)c1 ZINC000033386521 569625503 /nfs/dbraw/zinc/62/55/03/569625503.db2.gz WFULXSMTOUBIOA-NDENLUEZSA-N 0 2 476.420 3.213 40 10 JGCBLN O=C1NN(c2ccccc2)C(=O)/C1=C\c1cccc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2 ZINC000033720801 569631973 /nfs/dbraw/zinc/63/19/73/569631973.db2.gz BBYNQZUTJWBLEG-PDGQHHTCSA-N 0 2 459.414 3.364 40 10 JGCBLN Cc1ccc(NC(=O)COc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000034697551 569647479 /nfs/dbraw/zinc/64/74/79/569647479.db2.gz QEUQKNVGDCEVEK-STZFKDTASA-N 0 2 472.457 3.382 40 10 JGCBLN CC(C)OC(=O)COc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000035104109 569674867 /nfs/dbraw/zinc/67/48/67/569674867.db2.gz BWNCQDQBKPCHHL-NVNXTCNLSA-N 0 2 459.842 3.040 40 10 JGCBLN CC(=O)[C@H](N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)C(=O)Nc1ccccc1C ZINC000104123635 569841182 /nfs/dbraw/zinc/84/11/82/569841182.db2.gz ZIKAYCNSRMNLHB-ANZZGNCFSA-N 0 2 458.525 3.327 40 10 JGCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)c(Br)c(Cl)c1OCC#N ZINC000107797883 569857481 /nfs/dbraw/zinc/85/74/81/569857481.db2.gz KDWAZERRXMAHSY-LCYFTJDESA-N 0 2 462.687 3.475 40 10 JGCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2cccc(Br)c2)C1=O ZINC000408741086 570032153 /nfs/dbraw/zinc/03/21/53/570032153.db2.gz JZXDUAKSUJOGNN-PCJMVEANSA-N 0 2 483.347 3.162 40 10 JGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(OC)c(Cl)cc3OC)C2=O)cc1OC ZINC000408782021 570041843 /nfs/dbraw/zinc/04/18/43/570041843.db2.gz VFJIFPSQNCPKPZ-MDWZMJQESA-N 0 2 460.870 3.431 40 10 JGCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1OC ZINC000408785551 570042982 /nfs/dbraw/zinc/04/29/82/570042982.db2.gz HIEDKHYHYLKUDX-OQLLNIDSSA-N 0 2 492.269 3.283 40 10 JGCBLN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408794727 570044309 /nfs/dbraw/zinc/04/43/09/570044309.db2.gz BJGJWFQFDACVRV-OQLLNIDSSA-N 0 2 460.240 3.422 40 10 JGCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC)C2=O)cc1 ZINC000408805788 570047357 /nfs/dbraw/zinc/04/73/57/570047357.db2.gz HPRCNAASFLKAIL-LFIBNONCSA-N 0 2 473.279 3.301 40 10 JGCBLN CCCOc1cc(OC)ccc1/C=C1\C(=O)NC(=O)N(c2ccc(C(=O)OCC)cc2)C1=O ZINC000408810022 570048859 /nfs/dbraw/zinc/04/88/59/570048859.db2.gz HZOHPKIQCWGZKA-CPNJWEJPSA-N 0 2 452.463 3.327 40 10 JGCBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cc(Cl)cc(Br)c1O ZINC000408850491 570055361 /nfs/dbraw/zinc/05/53/61/570055361.db2.gz AWMVTLASJQDJBH-NYYWCZLTSA-N 0 2 465.643 3.203 40 10 JGCBLN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc1OC ZINC000408982594 570091258 /nfs/dbraw/zinc/09/12/58/570091258.db2.gz ICYMZZJKPRIONY-SXGWCWSVSA-N 0 2 472.881 3.265 40 10 JGCBLN 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SPAWWPIBHUROJK-GDNBJRDFSA-N 0 2 473.279 3.440 40 10 JGCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3I)C2=O)c1 ZINC000408553484 570195869 /nfs/dbraw/zinc/19/58/69/570195869.db2.gz ZLMKCBDAVVSVFP-XNTDXEJSSA-N 0 2 462.243 3.356 40 10 JGCBLN CCOC(=O)COc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccc(C)cc2)C1=O ZINC000001215069 194072710 /nfs/dbraw/zinc/07/27/10/194072710.db2.gz CLNPZYRUTULEDM-BOPFTXTBSA-N 0 2 487.306 3.366 40 10 JGCBLN Cc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)C1=O ZINC000009057514 554876501 /nfs/dbraw/zinc/87/65/01/554876501.db2.gz AHJLPKIUNOKPEF-SFQUDFHCSA-N 0 2 451.460 3.409 40 10 JGCBLN Cc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(I)c3)C2=O)c1C ZINC000009263176 555037890 /nfs/dbraw/zinc/03/78/90/555037890.db2.gz ZMLFPUMEXXYUEF-JYRVWZFOSA-N 0 2 462.243 3.280 40 10 JGCBLN COc1ccc(S(=O)(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c(C)cc2O)cc1 ZINC000026786880 556262970 /nfs/dbraw/zinc/26/29/70/556262970.db2.gz RVGMVTYWNHZJTG-UHFFFAOYSA-N 0 2 478.504 3.251 40 10 JGCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(I)c(O)cc1O ZINC000059426698 569603629 /nfs/dbraw/zinc/60/36/29/569603629.db2.gz DYTFCRPTEFHBNP-VZUCSPMQSA-N 0 2 484.633 3.022 40 10 JGCBLN O=C(COc1c(/C=C2/C(=O)NN(c3ccccc3)C2=O)cccc1[N+](=O)[O-])Nc1ccc(F)cc1 ZINC000033720950 569632053 /nfs/dbraw/zinc/63/20/53/569632053.db2.gz NZNOJMAUHQPSTJ-UYRXBGFRSA-N 0 2 476.420 3.213 40 10 JGCBLN COC(=O)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)ccc1C(=O)OC ZINC000103920258 569839264 /nfs/dbraw/zinc/83/92/64/569839264.db2.gz NICLYRWLKXDKCX-BKUYFWCQSA-N 0 2 483.452 3.051 40 10 JGCBLN COc1ccccc1NC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(C)=O ZINC000104124254 569841636 /nfs/dbraw/zinc/84/16/36/569841636.db2.gz MAIDSLDCLFVCHE-OESNKQGASA-N 0 2 482.522 3.274 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000107603477 569856674 /nfs/dbraw/zinc/85/66/74/569856674.db2.gz KQPCDDCVKFLUBK-ZHZULCJRSA-N 0 2 487.424 3.489 40 10 JGCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OCc1ccc2c(c1)OCO2 ZINC000107828141 569857566 /nfs/dbraw/zinc/85/75/66/569857566.db2.gz DTMAHXFSRMBOCL-NVMNQCDNSA-N 0 2 489.440 3.373 40 10 JGCBLN O=C(COc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)Nc1ccc(F)cc1 ZINC000108997352 569860257 /nfs/dbraw/zinc/86/02/57/569860257.db2.gz SONMGWPBDNZJBS-MOSHPQCFSA-N 0 2 476.420 3.213 40 10 JGCBLN O=C1NC(=O)N(C2CCCC2)C(=O)/C1=C/c1cc(Br)c(O)c(Br)c1 ZINC000408692452 570015520 /nfs/dbraw/zinc/01/55/20/570015520.db2.gz MUIKQCUQRWYRGU-BJMVGYQFSA-N 0 2 458.106 3.322 40 10 JGCBLN O=C1NC(=S)N(c2ccc(Cl)cc2Cl)C(=O)/C1=C/c1cc([N+](=O)[O-])c(O)cc1O ZINC000408723402 570027484 /nfs/dbraw/zinc/02/74/84/570027484.db2.gz UBJYOXIORBWGLE-YCRREMRBSA-N 0 2 454.247 3.144 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccc(C)cc1 ZINC000408895974 570067055 /nfs/dbraw/zinc/06/70/55/570067055.db2.gz OQKOQRXFLOAOMO-XSFVSMFZSA-N 0 2 492.509 3.438 40 10 JGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1I ZINC000408911444 570072945 /nfs/dbraw/zinc/07/29/45/570072945.db2.gz NITCVWUPMFXWNG-NTUHNPAUSA-N 0 2 466.206 3.105 40 10 JGCBLN COC(=O)c1cccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)c1 ZINC000408954736 570084696 /nfs/dbraw/zinc/08/46/96/570084696.db2.gz SJERDBHOCFDMLK-RGVLZGJSSA-N 0 2 487.468 3.276 40 10 JGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O)c(I)c2)C1=O ZINC000408964937 570087095 /nfs/dbraw/zinc/08/70/95/570087095.db2.gz UEBVENLRTPWPCU-UKTHLTGXSA-N 0 2 462.243 3.226 40 10 JGCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408967974 570088087 /nfs/dbraw/zinc/08/80/87/570088087.db2.gz WDYLPIWJRCLPFN-FYJGNVAPSA-N 0 2 492.557 3.025 40 10 JGCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000409065951 570116355 /nfs/dbraw/zinc/11/63/55/570116355.db2.gz JLJDMRZSELMYIN-MOSHPQCFSA-N 0 2 498.900 3.480 40 10 JGCBLN O=C1NC(=O)N(c2cccc([N+](=O)[O-])c2)C(=O)/C1=C\c1cccc(OS(=O)(=O)c2ccccc2)c1 ZINC000409074923 570119541 /nfs/dbraw/zinc/11/95/41/570119541.db2.gz OJVJFWWMNPTRMO-MOSHPQCFSA-N 0 2 493.453 3.029 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(N4CCCC4)cc3OC)C2=O)cc1 ZINC000409098049 570127348 /nfs/dbraw/zinc/12/73/48/570127348.db2.gz PFYKVFPCGDBUCP-CPNJWEJPSA-N 0 2 465.506 3.369 40 10 JGCBLN Cc1cc(Br)ccc1N1C(=O)NC(=O)C(=Cc2ccc(N3CCOCC3)c(F)c2)C1=O ZINC000409147884 570147928 /nfs/dbraw/zinc/14/79/28/570147928.db2.gz WHQXMTHGSBMOKU-LFIBNONCSA-N 0 2 488.313 3.400 40 10 JGCBLN COc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1OC ZINC000409216032 570172447 /nfs/dbraw/zinc/17/24/47/570172447.db2.gz DISAQORUEJLODH-AWNIVKPZSA-N 0 2 476.239 3.041 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)cc(Cl)c1OCC(N)=O ZINC000409218781 570173741 /nfs/dbraw/zinc/17/37/41/570173741.db2.gz KRRAMUJHTPBCST-MKMNVTDBSA-N 0 2 492.315 3.231 40 10 JGCBLN COc1cc([N+](=O)[O-])ccc1-n1c(C)cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)c1C ZINC000409240046 570181564 /nfs/dbraw/zinc/18/15/64/570181564.db2.gz PJJANEMELFGMJF-VCHYOVAHSA-N 0 2 461.434 3.072 40 10 JGCBLN COc1ccc(NNC=C2C(=O)NC(=O)N(c3ccc(Br)c(C)c3C)C2=O)cc1 ZINC000408531660 570188068 /nfs/dbraw/zinc/18/80/68/570188068.db2.gz LBGSMIAMLILWSW-XNTDXEJSSA-N 0 2 459.300 3.158 40 10 JGCBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CNc3ccc(C(=O)N(C)C)cc3)C2=O)ccc1Br ZINC000408532227 570188375 /nfs/dbraw/zinc/18/83/75/570188375.db2.gz PZAPXQXEPTUGMT-LFIBNONCSA-N 0 2 485.338 3.347 40 10 JGCBLN COc1cccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)c1 ZINC000408532017 570188385 /nfs/dbraw/zinc/18/83/85/570188385.db2.gz HVQHQZRXIZOBOZ-ODLFYWEKSA-N 0 2 486.436 3.310 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3F)C2=O)ccc1OC(=O)c1ccco1 ZINC000408538059 570190864 /nfs/dbraw/zinc/19/08/64/570190864.db2.gz YTFKOUNVODBLSA-SDNWHVSQSA-N 0 2 450.378 3.313 40 10 JGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCC3)C2=O)c(C)c1 ZINC000408538747 570191230 /nfs/dbraw/zinc/19/12/30/570191230.db2.gz QCXUANXIPYWQIM-NTCAYCPXSA-N 0 2 460.494 3.064 40 10 JGCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc(Br)c1O ZINC000016688233 520621775 /nfs/dbraw/zinc/62/17/75/520621775.db2.gz PBYCHUJIHHCBGX-ZSOIEALJSA-N 0 2 489.278 3.006 40 10 JGCBLN COCCNC(=O)Cn1cc(/C=C2/C(=O)NC(=O)N(c3ccc4ccccc4c3)C2=O)c2ccccc21 ZINC000013425236 555399382 /nfs/dbraw/zinc/39/93/82/555399382.db2.gz UIQNHGUHGBNHLE-HAHDFKILSA-N 0 2 496.523 3.224 40 10 JGCBLN CC1=NN(c2ccc(Br)cc2)C(=O)C1C=Nc1cc2[nH]c(=O)[nH]c2cc1[N+](=O)[O-] ZINC000101112885 569783330 /nfs/dbraw/zinc/78/33/30/569783330.db2.gz MRGRIFWNIYKIMK-XYOKQWHBSA-N 0 2 457.244 3.245 40 10 JGCBLN CCOC(=O)[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107746539 569857247 /nfs/dbraw/zinc/85/72/47/569857247.db2.gz OBVXUMKUWMUROD-CDCQXCROSA-N 0 2 459.842 3.040 40 10 JGCBLN COC(=O)CC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)C1=C(C)Nc1cc([N+](=O)[O-])ccc1C ZINC000112295508 569861163 /nfs/dbraw/zinc/86/11/63/569861163.db2.gz HYNAEMIFUAHLPU-MOSHPQCFSA-N 0 2 453.411 3.463 40 10 JGCBLN COC(=O)Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1cc([N+](=O)[O-])ccc1C ZINC000112295508 569861164 /nfs/dbraw/zinc/86/11/64/569861164.db2.gz HYNAEMIFUAHLPU-MOSHPQCFSA-N 0 2 453.411 3.463 40 10 JGCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=S)N(c2ccc(Br)cc2C)C1=O ZINC000408740760 570032085 /nfs/dbraw/zinc/03/20/85/570032085.db2.gz HYTOQEMRXIUGHJ-KTZOAPACSA-N 0 2 497.374 3.471 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc(Br)c1OC ZINC000408794676 570044387 /nfs/dbraw/zinc/04/43/87/570044387.db2.gz ARYHRVTVJRYICR-RIYZIHGNSA-N 0 2 461.268 3.228 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)ccc1OC(C)C ZINC000408801079 570045590 /nfs/dbraw/zinc/04/55/90/570045590.db2.gz SMNSNATXHSZDNS-LDADJPATSA-N 0 2 452.463 3.326 40 10 JGCBLN CCOc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408848211 570055122 /nfs/dbraw/zinc/05/51/22/570055122.db2.gz QVPYRBZVCURYNY-RIYZIHGNSA-N 0 2 459.252 3.243 40 10 JGCBLN Cc1ccc(S(=O)(=O)Oc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000408892530 570066039 /nfs/dbraw/zinc/06/60/39/570066039.db2.gz CEIKBGODSVGMCD-HMMYKYKNSA-N 0 2 462.483 3.429 40 10 JGCBLN O=C(COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O)Nc1ccccc1 ZINC000408947582 570083735 /nfs/dbraw/zinc/08/37/35/570083735.db2.gz COAICJVGXXTJKW-XDHOZWIPSA-N 0 2 485.452 3.099 40 10 JGCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000408967750 570087985 /nfs/dbraw/zinc/08/79/85/570087985.db2.gz ULEKFZVQSRTZFY-LPYMAVHISA-N 0 2 492.557 3.025 40 10 JGCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000409003979 570097256 /nfs/dbraw/zinc/09/72/56/570097256.db2.gz MZYFNCCMEDJIEO-HKWRFOASSA-N 0 2 471.469 3.379 40 10 JGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(I)cc3)C2=O)c(C)c1 ZINC000408530688 570187875 /nfs/dbraw/zinc/18/78/75/570187875.db2.gz MLJYSJRPSFKJKH-XNTDXEJSSA-N 0 2 461.259 3.487 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)cc1 ZINC000409187947 570160972 /nfs/dbraw/zinc/16/09/72/570160972.db2.gz VXMUYJKGAAHBTJ-DEDYPNTBSA-N 0 2 452.463 3.082 40 10 JGCBLN CC(C)OC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(Br)c3)C2=O)cc1 ZINC000409188250 570161089 /nfs/dbraw/zinc/16/10/89/570161089.db2.gz XTGJXNXARCPSCN-VCHYOVAHSA-N 0 2 487.306 3.446 40 10 JGCBLN CCn1c2ccc(NC=C3C(=O)NC(=O)N(c4ccc(Br)cc4)C3=O)cc2n(CC)c1=O ZINC000408526572 570186091 /nfs/dbraw/zinc/18/60/91/570186091.db2.gz BNLVOFPHCBZRIR-FOWTUZBSSA-N 0 2 498.337 3.184 40 10 JGCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNc2cccc([N+](=O)[O-])c2)C1=O ZINC000408528397 570186836 /nfs/dbraw/zinc/18/68/36/570186836.db2.gz HNSMIIFCVWDXSK-XNTDXEJSSA-N 0 2 459.256 3.499 40 10 JGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCCC3)C2=O)c1 ZINC000408529232 570187071 /nfs/dbraw/zinc/18/70/71/570187071.db2.gz ITKUEDVCMHTVBQ-DTQAZKPQSA-N 0 2 474.521 3.454 40 10 JGCBLN Cc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000409258071 570187143 /nfs/dbraw/zinc/18/71/43/570187143.db2.gz WDWHEJKVFQICBA-ZHZULCJRSA-N 0 2 471.469 3.385 40 10 JGCBLN CCN(CC)c1cc2[nH]c(=O)[nH]c2cc1NC=C1C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408531671 570188158 /nfs/dbraw/zinc/18/81/58/570188158.db2.gz LDCTWYRIKCDHHA-QINSGFPZSA-N 0 2 462.510 3.310 40 10 JGCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNNc2ccccc2OC)C1=O ZINC000408533071 570188803 /nfs/dbraw/zinc/18/88/03/570188803.db2.gz OAOAJBXCVSPOCH-SDNWHVSQSA-N 0 2 459.300 3.104 40 10 JGCBLN CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2cccc(OC)c2)C1=O ZINC000408533000 570188818 /nfs/dbraw/zinc/18/88/18/570188818.db2.gz JALKXJJPLYUDTM-YBEGLDIGSA-N 0 2 473.279 3.440 40 10 JGCBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c(N3CCCC3)cc2[nH]1 ZINC000408533192 570188928 /nfs/dbraw/zinc/18/89/28/570188928.db2.gz RQCGZLFTKNXFEQ-KAMYIIQDSA-N 0 2 466.885 3.101 40 10 JGCBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)ccc2OC(C)=O)C1=O ZINC000408534074 570189371 /nfs/dbraw/zinc/18/93/71/570189371.db2.gz LCLMDTUTEDRYOI-UVTDQMKNSA-N 0 2 459.252 3.049 40 10 JGCBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNc3ccc(S(=O)(=O)N4CCCCC4)cc3)C2=O)c1 ZINC000408534772 570189632 /nfs/dbraw/zinc/18/96/32/570189632.db2.gz WVMUVFDJRPOTHF-HMMYKYKNSA-N 0 2 482.562 3.057 40 10 JGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3Br)C2=O)cc1C ZINC000408537338 570190767 /nfs/dbraw/zinc/19/07/67/570190767.db2.gz ZZNPSGQABSNIIR-XYOKQWHBSA-N 0 2 470.283 3.227 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3I)C2=O)cc1 ZINC000408553148 570195771 /nfs/dbraw/zinc/19/57/71/570195771.db2.gz YADWFZIBYDKVSU-RVDMUPIBSA-N 0 2 462.243 3.356 40 10 JGCBLN O=C(NC=C1C(=O)NC(=O)N(c2ccc(Br)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1O ZINC000016427960 527434419 /nfs/dbraw/zinc/43/44/19/527434419.db2.gz BCPMIXGWRFIWPT-WQLSENKSSA-N 0 2 490.226 3.192 40 10 JGCBLN COc1cc(/C=C2/C(=O)NN(c3cccc(Cl)c3)C2=O)cc(I)c1O ZINC000032099685 556416167 /nfs/dbraw/zinc/41/61/67/556416167.db2.gz NGOPJBFUHXSLQR-XGICHPGQSA-N 0 2 470.650 3.120 40 10 JGCBLN Cc1ccc(S(=O)(=O)Oc2cccc(/C=C3/C(=O)NC(=O)N(c4ccccc4)C3=O)c2)cc1 ZINC000059536244 569606672 /nfs/dbraw/zinc/60/66/72/569606672.db2.gz KLAYJIQRPWTEBC-QNGOZBTKSA-N 0 2 462.483 3.429 40 10 JGCBLN O=C(Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)c1ccc([N+](=O)[O-])cc1 ZINC000105822982 569853450 /nfs/dbraw/zinc/85/34/50/569853450.db2.gz ANVNXYDKXGACRS-UYRXBGFRSA-N 0 2 474.385 3.184 40 10 JGCBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc(I)c1OC(C)=O ZINC000107897508 569857834 /nfs/dbraw/zinc/85/78/34/569857834.db2.gz BTKZSJDVUPADMA-DHDCSXOGSA-N 0 2 492.269 3.077 40 10 JGCBLN COc1ccccc1NC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000108894333 569859787 /nfs/dbraw/zinc/85/97/87/569859787.db2.gz OYEQAWBJLFKRJQ-ZHZULCJRSA-N 0 2 487.468 3.085 40 10 JGCBLN COC(=O)c1ccc(C(=O)OC)c(N=C(C)C2C(C)=NN(c3ccc([N+](=O)[O-])cc3)C2=O)c1 ZINC000112295445 569861226 /nfs/dbraw/zinc/86/12/26/569861226.db2.gz JLLPJEGRQBPYIA-UNOMPAQXSA-N 0 2 452.423 3.277 40 10 JGCBLN COC(=O)c1ccc(C(=O)OC)c(N=C(C)c2c(C)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)c1 ZINC000112295445 569861227 /nfs/dbraw/zinc/86/12/27/569861227.db2.gz JLLPJEGRQBPYIA-UNOMPAQXSA-N 0 2 452.423 3.277 40 10 JGCBLN COc1cc(OC)c([N+](=O)[O-])cc1/C=C1\C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408755176 570035292 /nfs/dbraw/zinc/03/52/92/570035292.db2.gz MTLPTVKQEAHXEY-NTUHNPAUSA-N 0 2 490.266 3.349 40 10 JGCBLN COc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1[N+](=O)[O-] ZINC000408778623 570040828 /nfs/dbraw/zinc/04/08/28/570040828.db2.gz IXUPPKVJVLVZJF-NTUHNPAUSA-N 0 2 460.240 3.341 40 10 JGCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O ZINC000408789109 570043665 /nfs/dbraw/zinc/04/36/65/570043665.db2.gz JJZSLEIXAIFEOJ-NTUHNPAUSA-N 0 2 498.660 3.325 40 10 JGCBLN CCOc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OC)cc3)C2=O)cc1OC ZINC000408798847 570044933 /nfs/dbraw/zinc/04/49/33/570044933.db2.gz GBZDHWHJOGXYGU-OQLLNIDSSA-N 0 2 458.854 3.200 40 10 JGCBLN CCOc1c(Br)cc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408809428 570048623 /nfs/dbraw/zinc/04/86/23/570048623.db2.gz LFBYLXLCWIAIOB-RIYZIHGNSA-N 0 2 461.268 3.228 40 10 JGCBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1I ZINC000408904923 570070430 /nfs/dbraw/zinc/07/04/30/570070430.db2.gz QLTXISKDXWNIRH-GXDHUFHOSA-N 0 2 462.243 3.356 40 10 JGCBLN CCOc1cc(Br)c(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000408956592 570084973 /nfs/dbraw/zinc/08/49/73/570084973.db2.gz XRVYACQTLYIFAE-AWNIVKPZSA-N 0 2 489.278 3.252 40 10 JGCBLN CCc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC)c(Br)c3)C2=O)cc1 ZINC000408986871 570092591 /nfs/dbraw/zinc/09/25/91/570092591.db2.gz NMPSHLTXWXJBKJ-YBEGLDIGSA-N 0 2 487.306 3.230 40 10 JGCBLN O=C1NC(=O)N(c2ccccc2)C(=O)/C1=C/c1ccc(Sc2nnnn2-c2ccccc2)o1 ZINC000408991972 570094388 /nfs/dbraw/zinc/09/43/88/570094388.db2.gz PKHZFRBLGJSBJT-GHRIWEEISA-N 0 2 458.459 3.073 40 10 JGCBLN Cc1cccc(NC(=O)COc2ccccc2/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000409048955 570109507 /nfs/dbraw/zinc/10/95/07/570109507.db2.gz UQYVSZQBTUXKSF-KGENOOAVSA-N 0 2 471.469 3.385 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OS(=O)(=O)c3ccccc3)C2=O)cc1 ZINC000409070627 570118123 /nfs/dbraw/zinc/11/81/23/570118123.db2.gz CZMBLLFYVDQQAX-HMMYKYKNSA-N 0 2 478.482 3.129 40 10 JGCBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)c(N3CCCCC3)cc2[nH]1 ZINC000408526286 570185769 /nfs/dbraw/zinc/18/57/69/570185769.db2.gz AQQSBFURJHJKQB-QINSGFPZSA-N 0 2 480.912 3.491 40 10 JGCBLN COc1ccccc1NNC=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2C)C1=O ZINC000408528736 570186819 /nfs/dbraw/zinc/18/68/19/570186819.db2.gz IDOQCIFFJAQSRS-JLHYYAGUSA-N 0 2 459.300 3.158 40 10 JGCBLN O=c1[nH]c2cc(NC=C3C(=O)NC(=O)N(c4cccc(Cl)c4)C3=O)c(N3CCCCC3)cc2[nH]1 ZINC000408529658 570187191 /nfs/dbraw/zinc/18/71/91/570187191.db2.gz HNNHBPCHZVOJNB-QINSGFPZSA-N 0 2 480.912 3.491 40 10 JGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2N(CC)CC)C1=O ZINC000408533411 570189113 /nfs/dbraw/zinc/18/91/13/570189113.db2.gz SBQPLBVNXCDWLB-FYWRMAATSA-N 0 2 462.510 3.256 40 10 JGCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(I)o1 ZINC000036076697 527048121 /nfs/dbraw/zinc/04/81/21/527048121.db2.gz SNRDHIGHEFRPBU-YRNVUSSQSA-N 0 2 487.047 3.313 40 10 JGCBLN NS(=O)(=O)c1ccc(-c2ccc(/C=C3/C(=O)NN(c4cccc(C(F)(F)F)c4)C3=O)o2)cc1 ZINC000028571506 556335876 /nfs/dbraw/zinc/33/58/76/556335876.db2.gz WWMZPJTXJABEPN-BOPFTXTBSA-N 0 2 477.420 3.074 40 10 JGCBLN COc1ccccc1NC(=O)C(=NNc1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O ZINC000104123839 569841419 /nfs/dbraw/zinc/84/14/19/569841419.db2.gz CLUFLVVIKVLHIG-ANZZGNCFSA-N 0 2 474.524 3.028 40 10 JGCBLN COc1ccccc1NC(=O)[C@@H](N=Nc1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O ZINC000104123839 569841420 /nfs/dbraw/zinc/84/14/20/569841420.db2.gz CLUFLVVIKVLHIG-ANZZGNCFSA-N 0 2 474.524 3.028 40 10 JGCBLN COc1cccc(C(=O)Oc2c(/C=C3/C(=O)NN(c4ccccc4)C3=O)cccc2[N+](=O)[O-])c1 ZINC000108925676 569859909 /nfs/dbraw/zinc/85/99/09/569859909.db2.gz WTYAEEZPSBPBET-RGEXLXHISA-N 0 2 459.414 3.284 40 10 JGCBLN COC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1Br ZINC000408768542 570038483 /nfs/dbraw/zinc/03/84/83/570038483.db2.gz GXOMPVLVSWEJGC-CXUHLZMHSA-N 0 2 487.306 3.284 40 10 JGCBLN COc1cc(N2C(=O)NC(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)C2=O)c(OC)cc1Cl ZINC000408786589 570043271 /nfs/dbraw/zinc/04/32/71/570043271.db2.gz SSDRKEFBCCVGBC-WUXMJOGZSA-N 0 2 476.869 3.049 40 10 JGCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc1OC ZINC000408789499 570043648 /nfs/dbraw/zinc/04/36/48/570043648.db2.gz LPXOXZXCZMYFHH-LZYBPNLTSA-N 0 2 472.881 3.184 40 10 JGCBLN CCCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C(=O)OCC)cc3)C2=O)cc1OC ZINC000408802444 570046224 /nfs/dbraw/zinc/04/62/24/570046224.db2.gz FDDASHOFUJHQRY-QGOAFFKASA-N 0 2 452.463 3.327 40 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CCOc1cc(Br)cc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1 ZINC000408885093 570064200 /nfs/dbraw/zinc/06/42/00/570064200.db2.gz XFVMUJYAKONQQN-LZYBPNLTSA-N 0 2 460.240 3.422 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccc(C)cc4)cc3)C2=O)cc1 ZINC000408891957 570065884 /nfs/dbraw/zinc/06/58/84/570065884.db2.gz WIJBZFQYEBOECE-PXLXIMEGSA-N 0 2 492.509 3.438 40 10 JGCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Br)cc(Br)c1O ZINC000409043127 570108030 /nfs/dbraw/zinc/10/80/30/570108030.db2.gz PYROSFSOHGZOSQ-WUXMJOGZSA-N 0 2 482.084 3.289 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OCC(=O)Nc3ccccc3)C2=O)cc1 ZINC000409044005 570108156 /nfs/dbraw/zinc/10/81/56/570108156.db2.gz AJWXSVJJRQKJNI-RCCKNPSSSA-N 0 2 471.469 3.379 40 10 JGCBLN O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1 ZINC000409075300 570119707 /nfs/dbraw/zinc/11/97/07/570119707.db2.gz QNZNCRQMBIYODM-XSFVSMFZSA-N 0 2 493.453 3.029 40 10 JGCBLN O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000409136260 570142418 /nfs/dbraw/zinc/14/24/18/570142418.db2.gz SDEQWNLTPFWQFV-LFIBNONCSA-N 0 2 474.286 3.091 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O ZINC000409210738 570169590 /nfs/dbraw/zinc/16/95/90/570169590.db2.gz MGPRLGWDHNYKSY-ONNFQVAWSA-N 0 2 452.206 3.282 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccnc3)C2=O)cc(Br)c1OCC ZINC000409228312 570176608 /nfs/dbraw/zinc/17/66/08/570176608.db2.gz XDXNHIUBBDBKMP-RIYZIHGNSA-N 0 2 460.284 3.308 40 10 JGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(OC)c(I)c2)C1=O ZINC000409235611 570179526 /nfs/dbraw/zinc/17/95/26/570179526.db2.gz CJFZFYBJFSIEII-JLHYYAGUSA-N 0 2 492.269 3.365 40 10 JGCBLN CCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)cc1 ZINC000409243507 570182945 /nfs/dbraw/zinc/18/29/45/570182945.db2.gz RTEVUGIZVUWJIO-FYJGNVAPSA-N 0 2 458.474 3.332 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N4CCCCC4)cc3OC)C2=O)c(OC)c1 ZINC000409249119 570185327 /nfs/dbraw/zinc/18/53/27/570185327.db2.gz JNRHRDIQBJKSNJ-CPNJWEJPSA-N 0 2 465.506 3.369 40 10 JGCBLN CCc1cc(Br)ccc1N1C(=O)NC(=O)C(=CNC(=S)Nc2ccccc2)C1=O ZINC000408526387 570185937 /nfs/dbraw/zinc/18/59/37/570185937.db2.gz BFILPUSBFIMGNY-RVDMUPIBSA-N 0 2 473.352 3.465 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCCC3)C2=O)cc1 ZINC000408529237 570187079 /nfs/dbraw/zinc/18/70/79/570187079.db2.gz HGZYNRZCQCEPEB-SAPNQHFASA-N 0 2 490.520 3.236 40 10 JGCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3nnc(-c4ccccc4)s3)C2=O)ccc1Br ZINC000408531239 570187961 /nfs/dbraw/zinc/18/79/61/570187961.db2.gz NPCGVSPCNZKMIX-GXDHUFHOSA-N 0 2 484.335 3.855 40 10 JGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCCC3)C2=O)c(C)c1 ZINC000408534765 570189616 /nfs/dbraw/zinc/18/96/16/570189616.db2.gz RBHXALSFJUFKON-DTQAZKPQSA-N 0 2 474.521 3.454 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3ccccc3I)C2=O)cc1 ZINC000408536960 570190664 /nfs/dbraw/zinc/19/06/64/570190664.db2.gz YLOAAZOLMIDYKQ-SDNWHVSQSA-N 0 2 477.258 3.269 40 10 JGCBLN CCC(=O)Oc1ccc(Br)cc1/C=C1/C(=O)NC(=O)N(c2ccccc2OC)C1=O ZINC000408537783 570190899 /nfs/dbraw/zinc/19/08/99/570190899.db2.gz XEZHNNXZIAHDSE-KAMYIIQDSA-N 0 2 473.279 3.440 40 10 JGCBLN COc1ccccc1N1C(=O)NC(=O)C(=Cc2ccccc2OC(=O)c2ccc3c(c2)OCO3)C1=O ZINC000408538249 570191077 /nfs/dbraw/zinc/19/10/77/570191077.db2.gz ZNBGCPXAUMQTGG-ATVHPVEESA-N 0 2 486.436 3.310 40 10 JGCBLN CC1(C)C[C@H](O)C[C@@](C)(CNC=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)C1 ZINC000006232514 520559798 /nfs/dbraw/zinc/55/97/98/520559798.db2.gz SRTNTYUGBUHPJO-HFHGARRFSA-N 0 2 464.360 3.083 40 10 JGCBLN CCOC(=O)COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)cc1 ZINC000015012513 520801104 /nfs/dbraw/zinc/80/11/04/520801104.db2.gz JMPYIOPFPDEMTC-BOPFTXTBSA-N 0 2 473.279 3.057 40 10 JGCBLN COC(=O)c1cc(Nc2ccc(O)c3c2C(=O)c2c([N+](=O)[O-])ccc(O)c2C3=O)cc(C(=O)OC)c1 ZINC000033562731 521896573 /nfs/dbraw/zinc/89/65/73/521896573.db2.gz DBBVPCPJQANEDU-UHFFFAOYSA-N 0 2 492.396 3.098 40 10 JGCBLN COC(=O)Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C(C)=Nc1ccc(C(=O)OC)cc1 ZINC000020287555 555756179 /nfs/dbraw/zinc/75/61/79/555756179.db2.gz VMVCQXBVEFWKLH-MOSHPQCFSA-N 0 2 452.423 3.033 40 10 JGCBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cn1 ZINC000034909771 569671369 /nfs/dbraw/zinc/67/13/69/569671369.db2.gz RRBPOIHEQBKNOR-SXGWCWSVSA-N 0 2 477.389 3.160 40 10 JGCBLN COC(=O)CC1=NN(c2ccc(F)cc2)C(=O)C1=C(C)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103920229 569839252 /nfs/dbraw/zinc/83/92/52/569839252.db2.gz FPLIEPQWZXFUOS-BKUYFWCQSA-N 0 2 483.452 3.051 40 10 JGCBLN COC(=O)Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1cc(C(=O)OC)cc(C(=O)OC)c1 ZINC000103920229 569839253 /nfs/dbraw/zinc/83/92/53/569839253.db2.gz FPLIEPQWZXFUOS-BKUYFWCQSA-N 0 2 483.452 3.051 40 10 JGCBLN COc1ccccc1NC(=O)C(=NNc1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O ZINC000104123850 569841347 /nfs/dbraw/zinc/84/13/47/569841347.db2.gz CLUFLVVIKVLHIG-LBNMDVIHSA-N 0 2 474.524 3.028 40 10 JGCBLN COc1ccccc1NC(=O)[C@H](N=Nc1cccc(S(=O)(=O)Nc2nncs2)c1)C(C)=O ZINC000104123850 569841348 /nfs/dbraw/zinc/84/13/48/569841348.db2.gz CLUFLVVIKVLHIG-LBNMDVIHSA-N 0 2 474.524 3.028 40 10 JGCBLN COc1ccccc1NC(=O)C(=NNc1ccc(S(=O)(=O)Nc2nccc(C)n2)cc1)C(C)=O ZINC000104124243 569841497 /nfs/dbraw/zinc/84/14/97/569841497.db2.gz MAIDSLDCLFVCHE-PBJDEKFSSA-N 0 2 482.522 3.274 40 10 JGCBLN COc1ccccc1NC(=O)COc1ccccc1/C=C1/C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000107669109 569856975 /nfs/dbraw/zinc/85/69/75/569856975.db2.gz PESPGGXLPVYQCE-RGEXLXHISA-N 0 2 487.468 3.085 40 10 JGCBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1I ZINC000408740864 570032041 /nfs/dbraw/zinc/03/20/41/570032041.db2.gz NFXXCKRFCCZJCW-NTEUORMPSA-N 0 2 462.243 3.275 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(I)cc3)C2=O)cc1 ZINC000408741958 570032426 /nfs/dbraw/zinc/03/24/26/570032426.db2.gz SZANZBGNCGSBTD-LFIBNONCSA-N 0 2 462.243 3.356 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(Br)cc3C)C2=O)cc([N+](=O)[O-])c1O ZINC000408742517 570032704 /nfs/dbraw/zinc/03/27/04/570032704.db2.gz RKELAHXYGLWDFN-WUXMJOGZSA-N 0 2 492.307 3.211 40 10 JGCBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NC(=O)N(c2ccc(Br)c(C)c2)C1=O ZINC000408760424 570036633 /nfs/dbraw/zinc/03/66/33/570036633.db2.gz YMCXEZZCZQBUSB-KTZOAPACSA-N 0 2 481.306 3.306 40 10 JGCBLN CCOC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3OC(C)C)C2=O)cc1 ZINC000408807767 570048089 /nfs/dbraw/zinc/04/80/89/570048089.db2.gz ORDALZDOHDXCHP-XDHOZWIPSA-N 0 2 452.463 3.326 40 10 JGCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1OC ZINC000408844014 570054220 /nfs/dbraw/zinc/05/42/20/570054220.db2.gz BKKTVUBSEPVTJH-LZYBPNLTSA-N 0 2 472.881 3.184 40 10 JGCBLN CC(=O)Oc1ccc(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4ccc5c(c4)OCO5)C3=O)c2C)cc1 ZINC000408854014 570056148 /nfs/dbraw/zinc/05/61/48/570056148.db2.gz VPHNHEPFBIUVGF-SRZZPIQSSA-N 0 2 487.468 3.415 40 10 JGCBLN COC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1Cl ZINC000408856272 570056527 /nfs/dbraw/zinc/05/65/27/570056527.db2.gz JOUUOUKARIHUNK-AWNIVKPZSA-N 0 2 467.236 3.351 40 10 JGCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)c1OC ZINC000408858822 570057076 /nfs/dbraw/zinc/05/70/76/570057076.db2.gz SYTINOHFRXRUTD-RIYZIHGNSA-N 0 2 496.232 3.114 40 10 JGCBLN Cc1cc(C=C2C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)c(C)n1-c1ccc(C(N)=O)cc1 ZINC000408899378 570067925 /nfs/dbraw/zinc/06/79/25/570067925.db2.gz OVNAUTOQPBRRIX-LPYMAVHISA-N 0 2 456.502 3.476 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000408914473 570074497 /nfs/dbraw/zinc/07/44/97/570074497.db2.gz XZSUSVCPIKGZTB-VIZOYTHASA-N 0 2 476.844 3.096 40 10 JGCBLN CCOc1cc2c(cc1/C=C1\C(=O)NC(=O)N(c3ccc(Br)cc3)C1=O)OCO2 ZINC000408960114 570085562 /nfs/dbraw/zinc/08/55/62/570085562.db2.gz BXOCSEGOWQPVKA-VGOFMYFVSA-N 0 2 459.252 3.243 40 10 JGCBLN CCOc1cc(/C=C2/C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)ccc1OCC(=O)OC ZINC000408983127 570091354 /nfs/dbraw/zinc/09/13/54/570091354.db2.gz KTXIPRRTLDADHW-SXGWCWSVSA-N 0 2 472.881 3.265 40 10 JGCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1OS(=O)(=O)c1ccccc1 ZINC000409072091 570118639 /nfs/dbraw/zinc/11/86/39/570118639.db2.gz AYRRMJSJXUBBBW-CPNJWEJPSA-N 0 2 498.900 3.480 40 10 JGCBLN CCOc1cccc(N2C(=O)NC(=O)C(=Cc3ccc(OCC(=O)OC(C)C)cc3)C2=O)c1 ZINC000409187145 570160797 /nfs/dbraw/zinc/16/07/97/570160797.db2.gz MSARHUGKWLDHNN-UDWIEESQSA-N 0 2 452.463 3.082 40 10 JGCBLN Cc1ccc(Cl)cc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c(OCC(N)=O)c(Cl)c2)C1=O ZINC000409220395 570174054 /nfs/dbraw/zinc/17/40/54/570174054.db2.gz YRJWQPHGNFCQKO-UUILKARUSA-N 0 2 482.707 3.486 40 10 JGCBLN Cc1c(Cl)cccc1N1C(=O)NC(=O)C(=Cc2cc(Cl)c(OCC(N)=O)c(Cl)c2)C1=O ZINC000409220014 570174083 /nfs/dbraw/zinc/17/40/83/570174083.db2.gz SRMCCQWOSJPXSC-VZUCSPMQSA-N 0 2 482.707 3.486 40 10 JGCBLN COC(=O)c1ccc(C)c(-n2c(C)cc(/C=C3\C(=O)NC(=O)N(c4cccnc4)C3=O)c2C)c1 ZINC000409221577 570174608 /nfs/dbraw/zinc/17/46/08/570174608.db2.gz SETMIGOFEXWQPY-RGVLZGJSSA-N 0 2 458.474 3.251 40 10 JGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(O)c(OC)c2)C1=O ZINC000409247406 570184832 /nfs/dbraw/zinc/18/48/32/570184832.db2.gz CAAXZPDVKIWAKE-XYOKQWHBSA-N 0 2 461.268 3.228 40 10 JGCBLN O=C(COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)c1)Nc1ccccc1 ZINC000409248412 570185060 /nfs/dbraw/zinc/18/50/60/570185060.db2.gz GGRBOSBRLLSUTH-BKUYFWCQSA-N 0 2 486.440 3.279 40 10 JGCBLN Cc1ccc(N2C(=O)NC(=O)C(=CNc3cc4[nH]c(=O)[nH]c4cc3N3CCCCC3)C2=O)cc1 ZINC000408526152 570185821 /nfs/dbraw/zinc/18/58/21/570185821.db2.gz AOQFZZJRBFHZIX-SSZFMOIBSA-N 0 2 460.494 3.146 40 10 JGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2cc3[nH]c(=O)[nH]c3cc2Br)C1=O ZINC000408530084 570187515 /nfs/dbraw/zinc/18/75/15/570187515.db2.gz IPLJLSIEUPHVRT-PKNBQFBNSA-N 0 2 470.283 3.172 40 10 JGCBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OCC(=O)Nc4ccccc4)c3)C2=O)cc1 ZINC000409264243 570188128 /nfs/dbraw/zinc/18/81/28/570188128.db2.gz PZALDFJHBLVPRO-JCMHNJIXSA-N 0 2 499.479 3.157 40 10 JGCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)C2=O)ccc1Br ZINC000408537321 570190736 /nfs/dbraw/zinc/19/07/36/570190736.db2.gz ZYBREJAJKQGQTH-RIYZIHGNSA-N 0 2 490.226 3.153 40 10 JGCBLN Cc1cc(O)c(Sc2nc[nH]n2)cc1NS(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000008871879 554767817 /nfs/dbraw/zinc/76/78/17/554767817.db2.gz UYWAGIZFCPDSND-UHFFFAOYSA-N 0 2 453.505 3.490 40 10 JGCBLN O=C1NC(=S)S/C1=C\c1cc(I)c(O)c(I)c1 ZINC000009036122 554868799 /nfs/dbraw/zinc/86/87/99/554868799.db2.gz UWZSTBUXXVVCKT-CLTKARDFSA-N 0 2 489.097 3.090 40 10 JGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(I)c(O)c(OC)c2)C1=O ZINC000016162419 556127749 /nfs/dbraw/zinc/12/77/49/556127749.db2.gz XNJAVNOJBMVIQQ-MDWZMJQESA-N 0 2 492.269 3.234 40 10 JGCBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1 ZINC000102514345 569813752 /nfs/dbraw/zinc/81/37/52/569813752.db2.gz PRTQTVQIMFWNIS-XMHGGMMESA-N 0 2 461.478 3.302 40 10 JGCBLN O=C(Oc1ccc([N+](=O)[O-])cc1/C=C1/C(=O)NN(c2ccccc2)C1=O)c1ccc2c(c1)OCO2 ZINC000106498927 569854209 /nfs/dbraw/zinc/85/42/09/569854209.db2.gz XATIHVFKEQUGQP-WQRHYEAKSA-N 0 2 473.397 3.004 40 10 JGCBLN COc1ccc(NC(=O)COc2ccc(/C=C3/C(=O)NC(=O)N(c4ccc(O)cc4)C3=O)cc2)cc1 ZINC000107582752 569856609 /nfs/dbraw/zinc/85/66/09/569856609.db2.gz CWUUJDILKDNDDL-HMAPJEAMSA-N 0 2 487.468 3.085 40 10 JGCBLN CCOC(=O)[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000107746547 569857216 /nfs/dbraw/zinc/85/72/16/569857216.db2.gz OBVXUMKUWMUROD-ZENNRRHLSA-N 0 2 459.842 3.040 40 10 JGCBLN COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1 ZINC000109763460 569860674 /nfs/dbraw/zinc/86/06/74/569860674.db2.gz RFYAUOKCXZORHP-ZHZULCJRSA-N 0 2 459.414 3.284 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc(Cl)c1OCC(=O)OC ZINC000408781512 570041683 /nfs/dbraw/zinc/04/16/83/570041683.db2.gz BEGJJPKTNFPFSC-CXUHLZMHSA-N 0 2 472.881 3.265 40 10 JGCBLN COC(=O)COc1ccc(Br)cc1/C=C1\C(=O)NC(=O)N(c2cc(C)cc(C)c2)C1=O ZINC000408785930 570043121 /nfs/dbraw/zinc/04/31/21/570043121.db2.gz JYUOHTZVESOROO-LICLKQGHSA-N 0 2 487.306 3.284 40 10 JGCBLN CCc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(Br)c(N3CCOCC3)o2)C1=O ZINC000408842821 570053905 /nfs/dbraw/zinc/05/39/05/570053905.db2.gz BWNYPOYSKZTVFQ-RVDMUPIBSA-N 0 2 474.311 3.108 40 10 JGCBLN O=C1NC(=O)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cc(Br)c(N2CCOCC2)o1 ZINC000408853136 570055926 /nfs/dbraw/zinc/05/59/26/570055926.db2.gz LWMHOPFVZNYLCR-NTEUORMPSA-N 0 2 480.702 3.199 40 10 JGCBLN COc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c1 ZINC000408867362 570058476 /nfs/dbraw/zinc/05/84/76/570058476.db2.gz KONWDJDDGBJIQX-OQLLNIDSSA-N 0 2 462.243 3.275 40 10 JGCBLN CCOc1cc(I)cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)c1 ZINC000408876383 570061279 /nfs/dbraw/zinc/06/12/79/570061279.db2.gz ODTAYDUSGZHVEW-MHWRWJLKSA-N 0 2 462.243 3.356 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1 ZINC000408938659 570082204 /nfs/dbraw/zinc/08/22/04/570082204.db2.gz QVXAGHAUVIDEQF-JCMHNJIXSA-N 0 2 492.509 3.438 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OCC(=O)Nc1ccccc1 ZINC000409039269 570107073 /nfs/dbraw/zinc/10/70/73/570107073.db2.gz CDJDMWLXEWBSLB-XSFVSMFZSA-N 0 2 471.469 3.379 40 10 JGCBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1 ZINC000409071226 570118370 /nfs/dbraw/zinc/11/83/70/570118370.db2.gz QAAKEZHXMAFNOO-XMHGGMMESA-N 0 2 478.482 3.129 40 10 JGCBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1ccc(OS(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000409071867 570118659 /nfs/dbraw/zinc/11/86/59/570118659.db2.gz QFUSXICNTBQAKV-DEDYPNTBSA-N 0 2 498.900 3.480 40 10 JGCBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccccc1OS(=O)(=O)c1ccccc1 ZINC000409073337 570119034 /nfs/dbraw/zinc/11/90/34/570119034.db2.gz MKYGYIRJSJCBEN-XMHGGMMESA-N 0 2 466.446 3.260 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OS(=O)(=O)c4ccccc4)cc3)C2=O)cc1 ZINC000409073887 570119300 /nfs/dbraw/zinc/11/93/00/570119300.db2.gz NVRKKIGBCKDYJU-RCCKNPSSSA-N 0 2 478.482 3.129 40 10 JGCBLN O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C/c1ccc(N2CCOCC2)c(F)c1 ZINC000409134768 570141819 /nfs/dbraw/zinc/14/18/19/570141819.db2.gz PSGDWNBLGKBQCA-MHWRWJLKSA-N 0 2 474.286 3.091 40 10 JGCBLN C[NH+](C)c1ccc(-n2cccc2/C=C2\C(=O)NC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000409192370 570162415 /nfs/dbraw/zinc/16/24/15/570162415.db2.gz BLOPYYDOAKCFOX-XSFVSMFZSA-N 0 2 460.515 3.073 40 10 JGCBLN NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl ZINC000409218407 570173571 /nfs/dbraw/zinc/17/35/71/570173571.db2.gz IQRUDSWUPMMMTO-LFYBBSHMSA-N 0 2 468.680 3.177 40 10 JGCBLN NC(=O)COc1c(Cl)cc(/C=C2\C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl ZINC000409218795 570173693 /nfs/dbraw/zinc/17/36/93/570173693.db2.gz HCQFLAJSAKEDNK-UUILKARUSA-N 0 2 468.680 3.177 40 10 JGCBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)cc(Cl)c1OCC(N)=O ZINC000409219977 570173982 /nfs/dbraw/zinc/17/39/82/570173982.db2.gz SFGYTUPFPAXYGM-MKMNVTDBSA-N 0 2 492.315 3.231 40 10 JGCBLN NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000409225593 570175827 /nfs/dbraw/zinc/17/58/27/570175827.db2.gz NBOBGAHMESDMRM-WUXMJOGZSA-N 0 2 468.680 3.177 40 10 JGCBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2cc(OC)c(O)cc2Br)C1=O ZINC000409244742 570183638 /nfs/dbraw/zinc/18/36/38/570183638.db2.gz IBXKHOSTMLJLFA-XYOKQWHBSA-N 0 2 461.268 3.228 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)ccc3OC(C)=O)C2=O)cc1 ZINC000408530785 570187842 /nfs/dbraw/zinc/18/78/42/570187842.db2.gz FVXKLJFQVWOHBH-YBEGLDIGSA-N 0 2 459.252 3.049 40 10 JGCBLN Cc1cc(N2C(=O)NC(=O)C(=CNc3ccc4[nH]c(=O)[nH]c4c3)C2=O)c(C)cc1Br ZINC000408531638 570188143 /nfs/dbraw/zinc/18/81/43/570188143.db2.gz OSHHNVNESPLRGY-XYOKQWHBSA-N 0 2 470.283 3.227 40 10 JGCBLN CNS(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccc(Br)c(C)c3)c2=O)cc1 ZINC000408533569 570189063 /nfs/dbraw/zinc/18/90/63/570189063.db2.gz OKZVPBDCOHQGCI-BOPFTXTBSA-N 0 2 463.357 3.384 40 10 JGCBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3OC(=O)c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408534645 570189653 /nfs/dbraw/zinc/18/96/53/570189653.db2.gz MLYSGQIVSOAISQ-UNOMPAQXSA-N 0 2 486.436 3.310 40 10 JGCBLN