smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000408904022 570696449 /nfs/dbraw/zinc/69/64/49/570696449.db2.gz CKQKFXNTKMAZRT-JXMROGBWSA-N 0 2 371.280 2.106 40 10 FECBLN C[NH+](C)Cc1c(O)c(Br)c(C(=O)[O-])c(Br)c1O ZINC000003843503 204112020 /nfs/dbraw/zinc/11/20/20/204112020.db2.gz QZGXIFCZXPYBPI-UHFFFAOYSA-N 0 2 369.009 2.383 40 10 FECBLN Cc1c(C)c(N2C(=O)NC(=O)C(=CN(C)C)C2=O)ccc1Br ZINC000408529075 558686012 /nfs/dbraw/zinc/68/60/12/558686012.db2.gz GWNCYUYMINEPQG-JXMROGBWSA-N 0 2 366.215 2.094 40 10 FECBLN COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000408743068 558689245 /nfs/dbraw/zinc/68/92/45/558689245.db2.gz ZCSZRBJRORVAII-RVDMUPIBSA-N 0 2 350.330 2.140 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1Cl ZINC000409391913 570755771 /nfs/dbraw/zinc/75/57/71/570755771.db2.gz KHILIIPOGVSWNM-XYOKQWHBSA-N 0 2 357.753 2.410 40 10 FECBLN O=C1NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1O ZINC000016427993 539631958 /nfs/dbraw/zinc/63/19/58/539631958.db2.gz OBOTXQZIHDIZSF-JYRVWZFOSA-N 0 2 359.725 2.415 40 10 FECBLN Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1C(=O)c1cccnc1 ZINC000100643970 543025464 /nfs/dbraw/zinc/02/54/64/543025464.db2.gz XJMIRWYJCIHGRD-HNENSFHCSA-N 0 2 353.298 2.166 40 10 FECBLN COC(=O)c1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3)C2=O)cc1 ZINC000006579935 539430800 /nfs/dbraw/zinc/43/08/00/539430800.db2.gz JOBNOTDCVBAWGK-PTNGSMBKSA-N 0 2 350.330 2.140 40 10 FECBLN Cc1cc(Br)c(N2C(=O)NC(=O)C(=CNO)C2=O)cc1C ZINC000016267912 539629044 /nfs/dbraw/zinc/62/90/44/539629044.db2.gz BUOFBRYMBBIBHL-YVMONPNESA-N 0 2 354.160 2.352 40 10 FECBLN Cc1n[nH]c(C)c1NC=C1C(=O)NC(=O)N(c2cccc(C)c2C)C1=O ZINC000408758095 558689503 /nfs/dbraw/zinc/68/95/03/558689503.db2.gz VFESPWAPXYVNMB-MDWZMJQESA-N 0 2 353.382 2.222 40 10 FECBLN COC(=O)c1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1 ZINC000408915494 558689849 /nfs/dbraw/zinc/68/98/49/558689849.db2.gz WHGQILPMYRFKJI-OQLLNIDSSA-N 0 2 368.320 2.279 40 10 FECBLN Cn1cccc1/C=C1\C(=O)NC(=O)N(c2cccc(Br)c2)C1=O ZINC000409108048 570727087 /nfs/dbraw/zinc/72/70/87/570727087.db2.gz VHGABWLICWLXOK-UKTHLTGXSA-N 0 2 374.194 2.454 40 10 FECBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(C)n(C)c3C)C2=O)cc1 ZINC000408783312 558689838 /nfs/dbraw/zinc/68/98/38/558689838.db2.gz MKJLLCIFRQPOML-MHWRWJLKSA-N 0 2 353.378 2.317 40 10 FECBLN Cc1cc(C)cc(N2C(=O)NC(=O)C(=Cc3ccc(O)c(O)c3)C2=O)c1 ZINC000408899352 570696203 /nfs/dbraw/zinc/69/62/03/570696203.db2.gz ORGFXRNPNKNQHU-RIYZIHGNSA-N 0 2 352.346 2.381 40 10 FECBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(OC)cc3O)C2=O)cc1 ZINC000408899905 570696232 /nfs/dbraw/zinc/69/62/32/570696232.db2.gz RTDNHGZZOMQDTF-OQLLNIDSSA-N 0 2 368.345 2.076 40 10 FECBLN Cc1[nH]n(-c2ccccc2)c(=O)c1C=C1C(=O)NN(c2ccccc2)C1=O ZINC000059475185 540865043 /nfs/dbraw/zinc/86/50/43/540865043.db2.gz TZHJJOLHWDBFGX-ATVHPVEESA-N 0 2 360.373 2.348 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1OC ZINC000408811350 558689965 /nfs/dbraw/zinc/68/99/65/558689965.db2.gz VIVRUIWNUMVABI-NTEUORMPSA-N 0 2 368.345 2.076 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)cc1O ZINC000408775653 558690096 /nfs/dbraw/zinc/69/00/96/558690096.db2.gz QYCXCWAIJJMNBS-NTEUORMPSA-N 0 2 352.346 2.376 40 10 FECBLN Nc1c(N=Nc2ccc([N+](=O)[O-])cc2)c(=O)[nH]n1C(=O)c1cccnc1 ZINC000068602569 541612800 /nfs/dbraw/zinc/61/28/00/541612800.db2.gz XJMIRWYJCIHGRD-VHEBQXMUSA-N 0 2 353.298 2.166 40 10 FECBLN O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000408963038 263510544 /nfs/dbraw/zinc/51/05/44/263510544.db2.gz LTKZWELTPBLVTK-XYOKQWHBSA-N 0 2 369.358 2.132 40 10 FECBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(Cl)cn3)C2=O)cc1 ZINC000408533738 558686206 /nfs/dbraw/zinc/68/62/06/558686206.db2.gz OYNQRXGCYYRKKU-LCYFTJDESA-N 0 2 372.768 2.322 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)c(OC)c1C ZINC000409392630 570755934 /nfs/dbraw/zinc/75/59/34/570755934.db2.gz MZPZYAHHVCVJGU-GXDHUFHOSA-N 0 2 367.361 2.074 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(C)c3)C2=O)c(O)c1 ZINC000408891630 263504323 /nfs/dbraw/zinc/50/43/23/263504323.db2.gz UDXZGDILJNEQSZ-OQLLNIDSSA-N 0 2 352.346 2.376 40 10 FECBLN CCn1nc(C)c(NC=C2C(=O)NC(=O)N(c3ccccc3)C2=O)c1C ZINC000408757762 558689375 /nfs/dbraw/zinc/68/93/75/558689375.db2.gz QVBDJKZXJKAAFS-GXDHUFHOSA-N 0 2 353.382 2.099 40 10 FECBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000408903881 570696529 /nfs/dbraw/zinc/69/65/29/570696529.db2.gz AUTYYIMRDBJRLA-WUXMJOGZSA-N 0 2 371.280 2.106 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 ZINC000408935895 570701176 /nfs/dbraw/zinc/70/11/76/570701176.db2.gz FCGUHGZVMHJDHD-XNTDXEJSSA-N 0 2 367.317 2.270 40 10 FECBLN COc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000408948180 570702548 /nfs/dbraw/zinc/70/25/48/570702548.db2.gz DYZADKMOIDEIOO-RIYZIHGNSA-N 0 2 366.329 2.090 40 10 FECBLN COc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1OC ZINC000107851103 543279625 /nfs/dbraw/zinc/27/96/25/543279625.db2.gz ASBDWIDTRPDNQF-JYRVWZFOSA-N 0 2 369.333 2.073 40 10 FECBLN O=C1NC(=O)N(c2ccc(O)cc2)C(=O)/C1=C/c1cc(Cl)ccc1O ZINC000408890741 570695124 /nfs/dbraw/zinc/69/51/24/570695124.db2.gz YMWJZSYNMFJSDU-MDWZMJQESA-N 0 2 358.737 2.418 40 10 FECBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(O)cc2)C1=O ZINC000409232820 570744465 /nfs/dbraw/zinc/74/44/65/570744465.db2.gz SGLSLMKRCAJHMM-SDNWHVSQSA-N 0 2 352.346 2.457 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccccc3C)C2=O)c(O)c1 ZINC000408886172 263503797 /nfs/dbraw/zinc/50/37/97/263503797.db2.gz DVMBIXQPGVJPHQ-NTEUORMPSA-N 0 2 352.346 2.376 40 10 FECBLN Cc1n[nH]c(C)c1NC=C1C(=O)NC(=O)N(c2ccccc2Cl)C1=O ZINC000408537235 558686561 /nfs/dbraw/zinc/68/65/61/558686561.db2.gz ZQIRGICEMAQNQE-JXMROGBWSA-N 0 2 359.773 2.259 40 10 FECBLN Cc1ccsc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408996841 570709019 /nfs/dbraw/zinc/70/90/19/570709019.db2.gz FFSSKWHRAUZINE-YRNVUSSQSA-N 0 2 356.359 2.452 40 10 FECBLN Cc1ccc(N2NC(=O)/C(=C\c3cc([N+](=O)[O-])ccc3O)C2=O)cc1C ZINC000016312078 211159279 /nfs/dbraw/zinc/15/92/79/211159279.db2.gz DVZWUMZLZBYLSE-OQLLNIDSSA-N 0 2 353.334 2.379 40 10 FECBLN C#CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000035107274 539979314 /nfs/dbraw/zinc/97/93/14/539979314.db2.gz IHZKIFBMSMBBCI-PTNGSMBKSA-N 0 2 363.329 2.068 40 10 FECBLN CCOc1ccc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc1[N+](=O)[O-] ZINC000035044188 539979265 /nfs/dbraw/zinc/97/92/65/539979265.db2.gz HZYAFLIZAWTZIF-UVTDQMKNSA-N 0 2 353.334 2.455 40 10 FECBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNNc3ccccc3)C2=O)c1 ZINC000408534062 558686375 /nfs/dbraw/zinc/68/63/75/558686375.db2.gz UQVHTPKHYLJXEZ-RVDMUPIBSA-N 0 2 350.378 2.387 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)cc1O ZINC000408912399 558690014 /nfs/dbraw/zinc/69/00/14/558690014.db2.gz QPQRDMVOYKESAH-NTUHNPAUSA-N 0 2 356.309 2.206 40 10 FECBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3ccc4c(c3)OCCO4)C2=O)cc1 ZINC000408899940 570696077 /nfs/dbraw/zinc/69/60/77/570696077.db2.gz QNYQDKLKTWRMDG-XNTDXEJSSA-N 0 2 364.357 2.433 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c(OC)c1 ZINC000408802720 558690084 /nfs/dbraw/zinc/69/00/84/558690084.db2.gz GNDQIWIFMAEWMK-OQLLNIDSSA-N 0 2 368.345 2.076 40 10 FECBLN Cc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)c1 ZINC000408951653 570702425 /nfs/dbraw/zinc/70/24/25/570702425.db2.gz MGRDGKSRVANYGI-RIYZIHGNSA-N 0 2 350.330 2.390 40 10 FECBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2cccc([N+](=O)[O-])c2)C1=O ZINC000408804425 558689801 /nfs/dbraw/zinc/68/98/01/558689801.db2.gz FWHPLXOEQNPJPA-NTEUORMPSA-N 0 2 367.317 2.270 40 10 FECBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1cccc(F)c1 ZINC000408947312 570702024 /nfs/dbraw/zinc/70/20/24/570702024.db2.gz BYJPSLVJOPRYRQ-NTUHNPAUSA-N 0 2 354.293 2.221 40 10 FECBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(O)cc3)C2=O)cc1 ZINC000005125624 539403680 /nfs/dbraw/zinc/40/36/80/539403680.db2.gz JAQBSGDFNSRHEJ-WJDWOHSUSA-N 0 2 352.346 2.457 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c(O)c1 ZINC000408892060 570695586 /nfs/dbraw/zinc/69/55/86/570695586.db2.gz AJVYPNKQGKEQJD-OQLLNIDSSA-N 0 2 352.346 2.376 40 10 FECBLN COc1ccc(N2C(=O)NC(=O)C(=CNNc3cccc(C)c3)C2=O)cc1 ZINC000408535663 558686440 /nfs/dbraw/zinc/68/64/40/558686440.db2.gz UEBLCZDOCJQXHM-WJDWOHSUSA-N 0 2 366.377 2.087 40 10 FECBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/C=C/c1ccco1 ZINC000408955210 570702487 /nfs/dbraw/zinc/70/24/87/570702487.db2.gz TZXBMFGQENRBQF-GRWPVRQFSA-N 0 2 352.302 2.231 40 10 FECBLN CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000000819232 206133787 /nfs/dbraw/zinc/13/37/87/206133787.db2.gz RCWKNRHNXQVDGK-UHFFFAOYSA-N 0 2 365.905 2.422 40 10 FECBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/C=C/c1ccccc1[N+](=O)[O-] ZINC000409389497 570756783 /nfs/dbraw/zinc/75/67/83/570756783.db2.gz BNXUGUMHQQIXQS-YLTNESKFSA-N 0 2 364.317 2.212 40 10 FECBLN CCn1nc(C)c(NC=C2C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)c1C ZINC000408757626 558689533 /nfs/dbraw/zinc/68/95/33/558689533.db2.gz OBNUFSKZSZPZLE-XNTDXEJSSA-N 0 2 367.409 2.407 40 10 FECBLN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(O)c([N+](=O)[O-])c1 ZINC000038186931 539998235 /nfs/dbraw/zinc/99/82/35/539998235.db2.gz WSXGAKHSSSONDI-IZZDOVSWSA-N 0 2 357.278 2.396 40 10 FECBLN Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000408953973 570702463 /nfs/dbraw/zinc/70/24/63/570702463.db2.gz QSGOQCWSCPNUPU-RIYZIHGNSA-N 0 2 350.330 2.390 40 10 FECBLN O=C1NC(=O)N(c2ccc3c(c2)OCO3)C(=O)/C1=C/c1ccccc1F ZINC000408955930 570702906 /nfs/dbraw/zinc/70/29/06/570702906.db2.gz VHACSLXYZUAXMY-KPKJPENVSA-N 0 2 354.293 2.221 40 10 FECBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 ZINC000408854551 263501675 /nfs/dbraw/zinc/50/16/75/263501675.db2.gz IECQAZPIEUAFBD-NTEUORMPSA-N 0 2 368.320 2.263 40 10 FECBLN Cc1ccc(N2C(=O)NC(=O)C(=CNN(C)c3ccccc3)C2=O)c(C)c1 ZINC000408533972 558686228 /nfs/dbraw/zinc/68/62/28/558686228.db2.gz UHNRMVUPSRPQJE-FOWTUZBSSA-N 0 2 364.405 2.411 40 10 FECBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000013425344 539586837 /nfs/dbraw/zinc/58/68/37/539586837.db2.gz GHBAXBPSQSZGHS-MDWZMJQESA-N 0 2 366.329 2.090 40 10 FECBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc2c(c1)OCO2 ZINC000002278272 132383037 /nfs/dbraw/zinc/38/30/37/132383037.db2.gz IHSFPUXDLCDFJM-NTUHNPAUSA-N 0 2 354.293 2.221 40 10 FECBLN CCOc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc(O)cc2)C1=O ZINC000005006489 535486293 /nfs/dbraw/zinc/48/62/93/535486293.db2.gz BVAGJMJLHXLYCC-RVDMUPIBSA-N 0 2 352.346 2.457 40 10 FECBLN Cc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)s1 ZINC000408951922 570702476 /nfs/dbraw/zinc/70/24/76/570702476.db2.gz MWLZKRNBUJEWSV-KPKJPENVSA-N 0 2 356.359 2.452 40 10 FECBLN Cc1cc(N2C(=O)NC(=O)C(=CNC(C)C)C2=O)ccc1Br ZINC000006500908 539429836 /nfs/dbraw/zinc/42/98/36/539429836.db2.gz WGSLVLOMYTUXLA-XFFZJAGNSA-N 0 2 366.215 2.222 40 10 FECBLN Cc1ccc(C)c(N2C(=O)NC(=O)C(=CNN(C)c3ccccc3)C2=O)c1 ZINC000408536720 558686466 /nfs/dbraw/zinc/68/64/66/558686466.db2.gz XOMMTROSTJNZIF-FOWTUZBSSA-N 0 2 364.405 2.411 40 10 FECBLN CCOc1cccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1 ZINC000408881419 570695266 /nfs/dbraw/zinc/69/52/66/570695266.db2.gz JHOIRNDVLMGFIA-LFIBNONCSA-N 0 2 352.346 2.457 40 10 FECBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O ZINC000408914165 558690036 /nfs/dbraw/zinc/69/00/36/558690036.db2.gz ODPFJHKWPYDOBO-NTUHNPAUSA-N 0 2 371.280 2.106 40 10 FECBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3cccc(C)c3)C2=O)cc1O ZINC000015276810 539614175 /nfs/dbraw/zinc/61/41/75/539614175.db2.gz JMJHMZKGBQBQMZ-ZROIWOOFSA-N 0 2 352.346 2.376 40 10 FECBLN CNS(=O)(=O)c1ccc(N=Cc2c(C)[nH]n(-c3ccccc3)c2=O)cc1 ZINC000016160775 539628417 /nfs/dbraw/zinc/62/84/17/539628417.db2.gz ZFEANDFLEKWTMZ-ATVHPVEESA-N 0 2 370.434 2.313 40 10 FECBLN COc1cc(/C=C2/C(=O)NN(c3cccc(F)c3)C2=O)ccc1OC(C)=O ZINC000032099666 208025345 /nfs/dbraw/zinc/02/53/45/208025345.db2.gz ZTUNISNPRVHHQC-NVNXTCNLSA-N 0 2 370.336 2.221 40 10 FECBLN COc1cc(/C=C2\C(=O)NC(=O)N(c3cccc(F)c3)C2=O)ccc1O ZINC000408915782 558689734 /nfs/dbraw/zinc/68/97/34/558689734.db2.gz YLPJHHGAGYZVSP-NTUHNPAUSA-N 0 2 356.309 2.206 40 10 FECBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccccc3F)C2=O)c(O)c1 ZINC000408898534 570696540 /nfs/dbraw/zinc/69/65/40/570696540.db2.gz MDTAVGWBGZSEDH-WQLSENKSSA-N 0 2 356.309 2.206 40 10 FECBLN Cc1n[nH]c(C)c1NC=C1C(=O)NC(=O)N(c2ccc(C)c(C)c2)C1=O ZINC000408756985 558689298 /nfs/dbraw/zinc/68/92/98/558689298.db2.gz KZSHECJIONSCAT-RIYZIHGNSA-N 0 2 353.382 2.222 40 10 FECBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O ZINC000408903634 570697570 /nfs/dbraw/zinc/69/75/70/570697570.db2.gz VCIAQCRPZKLBKY-MDWZMJQESA-N 0 2 371.280 2.106 40 10 FECBLN COc1ccc(N2C(=O)NC(=O)C(=CNc3ccc(O)cc3C)C2=O)cc1 ZINC000408529241 558685796 /nfs/dbraw/zinc/68/57/96/558685796.db2.gz IVEUUJXWCNBWBC-GDNBJRDFSA-N 0 2 367.361 2.288 40 10 FECBLN COc1cc2c(cc1/C=C1/C(=O)NC(=O)N(c3ccccc3)C1=O)OCO2 ZINC000409111275 570725676 /nfs/dbraw/zinc/72/56/76/570725676.db2.gz BEQGWWQWKNOGLQ-QPEQYQDCSA-N 0 2 366.329 2.090 40 10 FECBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1OC ZINC000409390367 570756063 /nfs/dbraw/zinc/75/60/63/570756063.db2.gz FDCSDCAAXPPLFI-GXDHUFHOSA-N 0 2 367.361 2.155 40 10 FECBLN CCOc1ccc(N2C(=O)NC(=O)C(=CNCc3cccs3)C2=O)cc1 ZINC000101653075 132234035 /nfs/dbraw/zinc/23/40/35/132234035.db2.gz NQUSMMFHLOCTJP-RVDMUPIBSA-N 0 2 371.418 2.403 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000208471315 548666292 /nfs/dbraw/zinc/66/62/92/548666292.db2.gz MUPJEZMTXSUUBN-RIYZIHGNSA-N 0 2 366.329 2.090 40 10 FECBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1 ZINC000408913118 558689974 /nfs/dbraw/zinc/68/99/74/558689974.db2.gz KUMDGROKKCDUKU-RIYZIHGNSA-N 0 2 355.281 2.400 40 10 FECBLN COc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc4c(c3)OCO4)C2=O)cc1 ZINC000005661381 539415088 /nfs/dbraw/zinc/41/50/88/539415088.db2.gz MUPJEZMTXSUUBN-ZSOIEALJSA-N 0 2 366.329 2.090 40 10 FECBLN CCc1ccccc1N1C(=O)NC(=O)C(=CNc2c(C)nn(C)c2C)C1=O ZINC000408528372 558685922 /nfs/dbraw/zinc/68/59/22/558685922.db2.gz FVOMMXGZMXBLFG-GXDHUFHOSA-N 0 2 367.409 2.178 40 10 FECBLN Cc1ccc(N2C(=O)NC(=O)C(=CNC(=O)c3ccccc3)C2=O)cc1C ZINC000408538760 558686734 /nfs/dbraw/zinc/68/67/34/558686734.db2.gz QIZOITMRZOIQAU-LFIBNONCSA-N 0 2 363.373 2.200 40 10 FECBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1cccc([N+](=O)[O-])c1O ZINC000408962960 570703689 /nfs/dbraw/zinc/70/36/89/570703689.db2.gz WKMWUYBSGYLMMP-XYOKQWHBSA-N 0 2 371.280 2.106 40 10 FECBLN CCOc1ccccc1N1C(=O)NC(=O)C(=Cc2ccc(N(C)C)o2)C1=O ZINC000409238548 570743147 /nfs/dbraw/zinc/74/31/47/570743147.db2.gz KZVKWJWFNYFZLQ-ACCUITESSA-N 0 2 369.377 2.411 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408803459 558689707 /nfs/dbraw/zinc/68/97/07/558689707.db2.gz PDWISOGDYQRZBO-OQLLNIDSSA-N 0 2 367.317 2.270 40 10 FECBLN CCOc1cc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)ccc1OC ZINC000409390762 570755868 /nfs/dbraw/zinc/75/58/68/570755868.db2.gz GVTWYJHMPVSKMU-GXDHUFHOSA-N 0 2 367.361 2.155 40 10 FECBLN CCN(CC)c1ccc(/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)o1 ZINC000409389395 570756747 /nfs/dbraw/zinc/75/67/47/570756747.db2.gz AWTVPZIIBUXFRB-SDNWHVSQSA-N 0 2 354.366 2.187 40 10 FECBLN Cc1ccccc1N1C(=O)NC(=O)C(=CNc2cccc([N+](=O)[O-])c2)C1=O ZINC000408530522 558685916 /nfs/dbraw/zinc/68/59/16/558685916.db2.gz JBLMNGSHUFWPEI-GXDHUFHOSA-N 0 2 366.333 2.482 40 10 FECBLN COc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O ZINC000408958092 570703270 /nfs/dbraw/zinc/70/32/70/570703270.db2.gz VBQDPFKNWRISMN-GXDHUFHOSA-N 0 2 367.317 2.270 40 10 FECBLN CCOc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1 ZINC000005006502 263337357 /nfs/dbraw/zinc/33/73/57/263337357.db2.gz MFTPOHLXOKEPSB-LFIBNONCSA-N 0 2 352.346 2.457 40 10 FECBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(N(C)C)cc3)C2=O)cc1 ZINC000001225709 132381321 /nfs/dbraw/zinc/38/13/21/132381321.db2.gz CXXOMHAKBZXEKQ-ATVHPVEESA-N 0 2 365.389 2.428 40 10 FECBLN COc1ccc(Cl)cc1/C=C1\C(=O)NC(=O)N(c2ccncc2)C1=O ZINC000409391125 570755753 /nfs/dbraw/zinc/75/57/53/570755753.db2.gz HKLXZCMTQMIIHH-UKTHLTGXSA-N 0 2 357.753 2.410 40 10 FECBLN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cc([N+](=O)[O-])ccc1O ZINC000032109770 539929874 /nfs/dbraw/zinc/92/98/74/539929874.db2.gz SLIPKNBXCYYNJH-QPEQYQDCSA-N 0 2 359.725 2.415 40 10 FECBLN COc1ccc(N2C(=O)NC(=O)C(=Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 ZINC000408742648 558689394 /nfs/dbraw/zinc/68/93/94/558689394.db2.gz XLADIBUCLMVEQC-XNTDXEJSSA-N 0 2 367.317 2.270 40 10 FECBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1cccn1-c1ccc(O)cc1 ZINC000409394136 570756291 /nfs/dbraw/zinc/75/62/91/570756291.db2.gz WFEVMQZHTADXKQ-SFQUDFHCSA-N 0 2 374.356 2.244 40 10 FECBLN CCOc1cc(/C=C2/C(=O)NN(c3ccccc3)C2=O)cc([N+](=O)[O-])c1O ZINC000032131472 539930049 /nfs/dbraw/zinc/93/00/49/539930049.db2.gz CKRIVDIJIWXCAG-JYRVWZFOSA-N 0 2 369.333 2.161 40 10 FECBLN Cc1n[nH]c(C)c1NC=C1C(=O)NC(=O)N(c2cccc(Cl)c2)C1=O ZINC000408758165 558689398 /nfs/dbraw/zinc/68/93/98/558689398.db2.gz WHRWFEKZXIJRSS-KPKJPENVSA-N 0 2 359.773 2.259 40 10 FECBLN COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1O ZINC000408850111 570692518 /nfs/dbraw/zinc/69/25/18/570692518.db2.gz GEESYTIURFICPH-MDWZMJQESA-N 0 2 356.309 2.206 40 10 FECBLN Cc1ccc(N2C(=O)NC(=O)C(=Cc3cc([N+](=O)[O-])ccc3O)C2=O)cc1 ZINC000408898398 570696575 /nfs/dbraw/zinc/69/65/75/570696575.db2.gz MAINTRRUFUEXTF-NTEUORMPSA-N 0 2 367.317 2.275 40 10 FECBLN CN(C)c1ccc(/C=C/C=C2\C(=O)NC(=O)N(c3ccncc3)C2=O)cc1 ZINC000409392662 570756044 /nfs/dbraw/zinc/75/60/44/570756044.db2.gz NDOCEYCPYHWTBR-GOZVUGRMSA-N 0 2 362.389 2.370 40 10 FECBLN O=C1NN(c2cccc(Cl)c2)C(=O)/C1=C/c1cc([N+](=O)[O-])ccc1O ZINC000000820697 219326696 /nfs/dbraw/zinc/32/66/96/219326696.db2.gz SLIPKNBXCYYNJH-NTUHNPAUSA-N 0 2 359.725 2.415 40 10 FECBLN CCOc1ccc(N2C(=O)NC(=O)C(=Cc3ccccc3O)C2=O)cc1 ZINC000059484147 136132212 /nfs/dbraw/zinc/13/22/12/136132212.db2.gz WFNHSHQBILMQTL-PTNGSMBKSA-N 0 2 352.346 2.457 40 10 FECBLN Cc1ccccc1/C=C1\C(=O)NC(=O)N(c2ccc3c(c2)OCO3)C1=O ZINC000408857563 570692978 /nfs/dbraw/zinc/69/29/78/570692978.db2.gz OIUSRRVJHISGOJ-RIYZIHGNSA-N 0 2 350.330 2.390 40 10 FECBLN COc1ccc(N2CC[NH+](CC(=O)Nc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000004926648 536694859 /nfs/dbraw/zinc/69/48/59/536694859.db2.gz GCZGXXHZQZADDA-UHFFFAOYSA-N 0 2 369.421 2.154 40 10 FECBLN O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC000408852500 570692042 /nfs/dbraw/zinc/69/20/42/570692042.db2.gz GOHBDGNRERGTGK-KPKJPENVSA-N 0 2 371.280 2.106 40 10 FECBLN O=C1NC(=O)N(c2cccc(F)c2)C(=O)/C1=C/c1ccc2c(c1)OCCO2 ZINC000001106530 132380104 /nfs/dbraw/zinc/38/01/04/132380104.db2.gz KQTGYDMUIYBKPO-RIYZIHGNSA-N 0 2 368.320 2.263 40 10 FECBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(N2CCCCC2)o1 ZINC000409393070 570756516 /nfs/dbraw/zinc/75/65/16/570756516.db2.gz OWGZRPQMNFLHLX-NTCAYCPXSA-N 0 2 366.377 2.331 40 10 FECBLN O=C1NC(=O)N(c2ccncc2)C(=O)/C1=C/c1ccc(Br)o1 ZINC000409389540 570756920 /nfs/dbraw/zinc/75/69/20/570756920.db2.gz BXNMHDSTTLYVDZ-JXMROGBWSA-N 0 2 362.139 2.104 40 10 FECBLN COc1cccc(/C=C2/C(=O)NC(=O)N(c3cccc(F)c3)C2=O)c1O ZINC000408913462 558689786 /nfs/dbraw/zinc/68/97/86/558689786.db2.gz UWWLRSYVSFDFSF-JYRVWZFOSA-N 0 2 356.309 2.206 40 10 FECBLN