smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCc1cccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC001595064164 951535070 /nfs/dbraw/zinc/53/50/70/951535070.db2.gz FCKCZHXVMHUKTE-UHFFFAOYSA-N -1 2 330.296 2.570 20 5 EFBDLM C[C@@H](Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592873558 979736602 /nfs/dbraw/zinc/73/66/02/979736602.db2.gz VXXCYFPFABPHJI-JTQLQIEISA-N -1 2 344.323 2.816 20 5 EFBDLM CC(C)(CCC(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1)[N+](=O)[O-] ZINC000295101188 295268256 /nfs/dbraw/zinc/26/82/56/295268256.db2.gz XIEFMRNMLOBNNB-UHFFFAOYSA-N -1 2 339.302 2.524 20 5 EFBDLM C[C@@](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)(C(=O)[O-])c1ccccc1 ZINC000013469611 471831363 /nfs/dbraw/zinc/83/13/63/471831363.db2.gz LTNAKVRLWORIFH-KRWDZBQOSA-N -1 2 344.323 2.672 20 5 EFBDLM O=[N+]([O-])c1ccc(O)c(OC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229395344 1312088290 /nfs/dbraw/zinc/08/82/90/1312088290.db2.gz HFJAEECRKOZGJW-MRXNPFEDSA-N -1 2 344.367 2.580 20 5 EFBDLM CC[N@H+](CCC(F)(F)F)Cc1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC001604293755 1096798639 /nfs/dbraw/zinc/79/86/39/1096798639.db2.gz KQGGPHXKJQDGDY-UHFFFAOYSA-N -1 2 344.297 2.549 20 5 EFBDLM O=C(Nc1cc([N+](=O)[O-])ccc1O)c1cc(F)c(F)c([O-])c1F ZINC000183517854 474388617 /nfs/dbraw/zinc/38/86/17/474388617.db2.gz UMOXRJTUAKAHRK-UHFFFAOYSA-N -1 2 328.202 2.676 20 5 EFBDLM COc1ccc(F)c(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])c1 ZINC000598647521 478944674 /nfs/dbraw/zinc/94/46/74/478944674.db2.gz NGHJXCOVBYBSLO-UHFFFAOYSA-N -1 2 336.319 2.747 20 5 EFBDLM O=[N+]([O-])c1cc(-c2nnc(Cc3ccc(F)cc3)o2)c([O-])cc1O ZINC001251930837 1315388509 /nfs/dbraw/zinc/38/85/09/1315388509.db2.gz QETWHIKSWPKXPZ-UHFFFAOYSA-N -1 2 331.259 2.786 20 5 EFBDLM O=C([O-])[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000013253701 718205790 /nfs/dbraw/zinc/20/57/90/718205790.db2.gz GJJSYUVFSRABME-GFCCVEGCSA-N -1 2 332.287 2.931 20 5 EFBDLM CCC(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000436652581 477546231 /nfs/dbraw/zinc/54/62/31/477546231.db2.gz OPKCTDWGDXHXIF-UHFFFAOYSA-N -1 2 330.296 2.851 20 5 EFBDLM O=c1cc[nH]c(OC(=C([O-])c2ccco2)c2ccco2)c1[N+](=O)[O-] ZINC001225666408 1311561880 /nfs/dbraw/zinc/56/18/80/1311561880.db2.gz IFIZUBIQVPEFOK-AWEZNQCLSA-N -1 2 330.252 2.884 20 5 EFBDLM O=[N+]([O-])c1cc(-c2nc3c(cc(F)c(F)c3F)[nH]2)c(O)cc1[O-] ZINC001251082133 1315320120 /nfs/dbraw/zinc/32/01/20/1315320120.db2.gz BXHKMBBZVAKSFP-UHFFFAOYSA-N -1 2 325.202 2.967 20 5 EFBDLM COc1ccc(-c2nnc(-c3cc([N+](=O)[O-])c(O)cc3[O-])o2)cc1 ZINC001252022468 1315405180 /nfs/dbraw/zinc/40/51/80/1315405180.db2.gz LQHBMNNFNLHYNV-UHFFFAOYSA-N -1 2 329.268 2.732 20 5 EFBDLM CCCc1c(C(=O)Nc2cc([N+](=O)[O-])ccc2O)[nH]c(C)c1C(=O)[O-] ZINC001596045403 983333207 /nfs/dbraw/zinc/33/32/07/983333207.db2.gz NDSOXLJVNNALSD-UHFFFAOYSA-N -1 2 347.327 2.840 20 5 EFBDLM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2O)ccc(F)c1C(=O)[O-] ZINC001600047663 1094742198 /nfs/dbraw/zinc/74/21/98/1094742198.db2.gz WEJIOMKJTPWKQQ-UHFFFAOYSA-N -1 2 334.259 2.698 20 5 EFBDLM O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001601610268 1095760753 /nfs/dbraw/zinc/76/07/53/1095760753.db2.gz JBTITINQYHZGSC-UONOGXRCSA-N -1 2 342.307 2.741 20 5 EFBDLM C[N@H+](Cc1ccc(-c2nn[nH]n2)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001604804712 1096961502 /nfs/dbraw/zinc/96/15/02/1096961502.db2.gz WIVALJRNYUFPQY-UHFFFAOYSA-N -1 2 342.334 2.546 20 5 EFBDLM C[C@@H]1c2ccccc2C[N@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001605431780 1097123965 /nfs/dbraw/zinc/12/39/65/1097123965.db2.gz HABYLKQYJQZJBU-LLVKDONJSA-N -1 2 336.355 2.852 20 5 EFBDLM C[C@@H]1c2ccccc2C[N@@H+]1Cc1c(-c2nn[nH]n2)cccc1[N+](=O)[O-] ZINC001605431780 1097123967 /nfs/dbraw/zinc/12/39/67/1097123967.db2.gz HABYLKQYJQZJBU-LLVKDONJSA-N -1 2 336.355 2.852 20 5 EFBDLM O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc2[nH]ccc21 ZINC001610703556 1098835457 /nfs/dbraw/zinc/83/54/57/1098835457.db2.gz MLNSZBDFNQXASW-UHFFFAOYSA-N -1 2 341.279 2.732 20 5 EFBDLM O=c1cc[nH]c(OC(=C([O-])c2ccco2)c2ccco2)c1[N+](=O)[O-] ZINC001225666411 1311561786 /nfs/dbraw/zinc/56/17/86/1311561786.db2.gz IFIZUBIQVPEFOK-CQSZACIVSA-N -1 2 330.252 2.884 20 5 EFBDLM C[C@H](C(=O)[O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001589520765 987163085 /nfs/dbraw/zinc/16/30/85/987163085.db2.gz CKPXGYTVSOYHNM-VIFPVBQESA-N -1 2 330.296 2.741 20 5 EFBDLM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1 ZINC001589638463 987559432 /nfs/dbraw/zinc/55/94/32/987559432.db2.gz BDZWJCRTHRHJCZ-UHFFFAOYSA-N -1 2 344.323 2.915 20 5 EFBDLM Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001600876706 1095400128 /nfs/dbraw/zinc/40/01/28/1095400128.db2.gz PSCCCUNHCTZCHA-UHFFFAOYSA-N -1 2 336.325 2.929 20 5 EFBDLM O=C([O-])CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001608739968 1098005853 /nfs/dbraw/zinc/00/58/53/1098005853.db2.gz RIFUEVVQQDRWHL-UHFFFAOYSA-N -1 2 330.296 2.570 20 5 EFBDLM C[C@](CC(=O)Nc1cc([N+](=O)[O-])ccc1O)(C(=O)[O-])c1ccccc1 ZINC000013469613 471830390 /nfs/dbraw/zinc/83/03/90/471830390.db2.gz LTNAKVRLWORIFH-QGZVFWFLSA-N -1 2 344.323 2.672 20 5 EFBDLM O=[N+]([O-])c1cc(-c2nnc(Cc3ccccc3F)o2)c([O-])cc1O ZINC001255861510 1315874121 /nfs/dbraw/zinc/87/41/21/1315874121.db2.gz YAPNXBBQSUCXQZ-UHFFFAOYSA-N -1 2 331.259 2.786 20 5 EFBDLM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001589638825 987562186 /nfs/dbraw/zinc/56/21/86/987562186.db2.gz YAYIBBCSEDMOOO-UHFFFAOYSA-N -1 2 344.323 2.915 20 5 EFBDLM O=C([O-])CCc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001602040542 1096033170 /nfs/dbraw/zinc/03/31/70/1096033170.db2.gz DWMUURQXPYYCMY-UHFFFAOYSA-N -1 2 330.296 2.570 20 5 EFBDLM O=C([O-])c1cc2c(cc1F)NC(=O)/C2=C\c1cc(O)ccc1[N+](=O)[O-] ZINC001602661003 1096341270 /nfs/dbraw/zinc/34/12/70/1096341270.db2.gz MSSDCMBDMBQKNU-WMZJFQQLSA-N -1 2 344.254 2.630 20 5 EFBDLM Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001607923515 1097778183 /nfs/dbraw/zinc/77/81/83/1097778183.db2.gz NVVDWXCAHMTQMS-UHFFFAOYSA-N -1 2 348.383 2.525 20 5 EFBDLM O=C(Nc1ccc2[n-]c(=S)oc2c1)c1ccc([N+](=O)[O-])cc1O ZINC000773367079 581423710 /nfs/dbraw/zinc/42/37/10/581423710.db2.gz SLAGACZBEOANES-UHFFFAOYSA-N -1 2 331.309 2.983 20 5 EFBDLM C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001603218069 1096476837 /nfs/dbraw/zinc/47/68/37/1096476837.db2.gz JSSZHZSHQFDTTD-SECBINFHSA-N -1 2 330.296 2.741 20 5 EFBDLM O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1Cl ZINC001610704928 1098837076 /nfs/dbraw/zinc/83/70/76/1098837076.db2.gz FTIAJAHPOVZDTR-UHFFFAOYSA-N -1 2 336.687 2.904 20 5 EFBDLM O=C([O-])c1cc2c(cc1F)NC(=O)/C2=C/c1ccc(O)c([N+](=O)[O-])c1 ZINC001610885125 1098959959 /nfs/dbraw/zinc/95/99/59/1098959959.db2.gz IXJMMBAIRRNQQW-YCRREMRBSA-N -1 2 344.254 2.630 20 5 EFBDLM Cc1cc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)sc1C(=O)[O-] ZINC001600283891 1094943836 /nfs/dbraw/zinc/94/38/36/1094943836.db2.gz KHEQLPKFGGGBJX-UHFFFAOYSA-N -1 2 348.383 2.525 20 5 EFBDLM Cc1c(C(=O)[O-])csc1NS(=O)(=O)c1csc([N+](=O)[O-])c1 ZINC001607522884 1097651044 /nfs/dbraw/zinc/65/10/44/1097651044.db2.gz NYWCRIDXQWFNJB-UHFFFAOYSA-N -1 2 348.383 2.525 20 5 EFBDLM Cc1ccc([C@H](C)NC(=O)c2cccc3[nH]nnc32)cc1[N+](=O)[O-] ZINC000188302747 474050783 /nfs/dbraw/zinc/05/07/83/474050783.db2.gz HRQMNOVCYWBZDR-JTQLQIEISA-N -1 2 325.328 2.666 20 5 EFBDLM O=[N+]([O-])c1ccc(O)c(O[C@H]2COCC[N@@H+](Cc3ccccc3)C2)c1 ZINC001229394753 1312088067 /nfs/dbraw/zinc/08/80/67/1312088067.db2.gz BSIHIDXSDAOUHN-MRXNPFEDSA-N -1 2 344.367 2.580 20 5 EFBDLM CC1(C)CCc2c(sc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])c2C(=O)[O-])C1 ZINC001589226713 956805454 /nfs/dbraw/zinc/80/54/54/956805454.db2.gz IXHRQWMIZBPIFN-RKDXNWHRSA-N -1 2 338.385 2.565 20 5 EFBDLM O=[N+]([O-])c1cccc(-c2nn[nH]n2)c1C[N@H+](Cc1ccoc1)C1CC1 ZINC001607084012 1097510492 /nfs/dbraw/zinc/51/04/92/1097510492.db2.gz QIHDBXVNJODXDN-UHFFFAOYSA-N -1 2 340.343 2.533 20 5 EFBDLM CN(C)c1ccc(-c2nnc(-c3cc([N+](=O)[O-])c(O)cc3[O-])o2)cc1 ZINC001252362011 1315438893 /nfs/dbraw/zinc/43/88/93/1315438893.db2.gz PVJPPIQORUVCLE-UHFFFAOYSA-N -1 2 342.311 2.789 20 5 EFBDLM C[C@H](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)C(=O)[O-] ZINC001592872150 979727870 /nfs/dbraw/zinc/72/78/70/979727870.db2.gz FBNLWDKQZIXXFP-SNVBAGLBSA-N -1 2 344.323 2.816 20 5 EFBDLM O=C([O-])c1cc(NC(=O)c2cccc(Cl)c2O)cc([N+](=O)[O-])c1 ZINC001602284402 1096159987 /nfs/dbraw/zinc/15/99/87/1096159987.db2.gz AKGWXYHMPUQIMD-UHFFFAOYSA-N -1 2 336.687 2.904 20 5 EFBDLM O=[N+]([O-])c1ccc(O)c(OC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC001229395343 1312088165 /nfs/dbraw/zinc/08/81/65/1312088165.db2.gz HFJAEECRKOZGJW-INIZCTEOSA-N -1 2 344.367 2.580 20 5 EFBDLM O=[N+]([O-])c1cc(-c2nnc(Cc3cccc(F)c3)o2)c([O-])cc1O ZINC001258571669 1316163769 /nfs/dbraw/zinc/16/37/69/1316163769.db2.gz PSDXCQDWNRNAPF-UHFFFAOYSA-N -1 2 331.259 2.786 20 5 EFBDLM C[C@H](C(=O)[O-])c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001603218070 1096476779 /nfs/dbraw/zinc/47/67/79/1096476779.db2.gz JSSZHZSHQFDTTD-VIFPVBQESA-N -1 2 330.296 2.741 20 5 EFBDLM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(O)ccc1[N+](=O)[O-] ZINC001610450100 1098684925 /nfs/dbraw/zinc/68/49/25/1098684925.db2.gz SHJVKJYGFUOLJL-UHFFFAOYSA-N -1 2 330.296 2.868 20 5 EFBDLM O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1ccccc1[N+](=O)[O-] ZINC000113428922 473394138 /nfs/dbraw/zinc/39/41/38/473394138.db2.gz VPHBHPHIYXTQIY-UHFFFAOYSA-N -1 2 327.275 2.771 20 5 EFBDLM C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1O ZINC000181917041 474069821 /nfs/dbraw/zinc/06/98/21/474069821.db2.gz SIBWRAJJPYPIRN-UHFFFAOYSA-N -1 2 349.431 2.885 20 5 EFBDLM COc1cccc(-c2nnc(-c3cc([N+](=O)[O-])c(O)cc3[O-])o2)c1 ZINC001253351092 1315594203 /nfs/dbraw/zinc/59/42/03/1315594203.db2.gz XTUXTNQKLCELMY-UHFFFAOYSA-N -1 2 329.268 2.732 20 5 EFBDLM Cc1csc(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c1C(=O)[O-] ZINC001600662011 1095243179 /nfs/dbraw/zinc/24/31/79/1095243179.db2.gz DUCPIDOCISWUJY-UHFFFAOYSA-N -1 2 348.383 2.525 20 5 EFBDLM O=C([O-])c1ccc(CCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)cc1 ZINC001601288228 1095599053 /nfs/dbraw/zinc/59/90/53/1095599053.db2.gz CQBZAYXFSVXHNK-UHFFFAOYSA-N -1 2 330.296 2.570 20 5 EFBDLM O=C([O-])CCc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1O ZINC001608740537 1098006382 /nfs/dbraw/zinc/00/63/82/1098006382.db2.gz CHYZVURHAXUNQO-UHFFFAOYSA-N -1 2 330.296 2.570 20 5 EFBDLM O=C([O-])CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000343985088 145339308 /nfs/dbraw/zinc/33/93/08/145339308.db2.gz MOWPMJAJFSWQIY-UHFFFAOYSA-N -1 2 330.296 2.570 20 5 EFBDLM COc1ccsc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000114795173 473505669 /nfs/dbraw/zinc/50/56/69/473505669.db2.gz JTQRIEIBQWMUOK-UHFFFAOYSA-N -1 2 345.340 2.702 20 5 EFBDLM CC(C)c1scnc1NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000341106223 474980655 /nfs/dbraw/zinc/98/06/55/474980655.db2.gz YKSQFDPYRYVEKM-UHFFFAOYSA-N -1 2 343.386 2.681 20 5 EFBDLM O=C([O-])[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1 ZINC000013253699 718205816 /nfs/dbraw/zinc/20/58/16/718205816.db2.gz GJJSYUVFSRABME-LBPRGKRZSA-N -1 2 332.287 2.931 20 5 EFBDLM O=C([O-])c1c(-c2ccsc2)csc1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-] ZINC001606459130 973906693 /nfs/dbraw/zinc/90/66/93/973906693.db2.gz YKQKRJXROANXNF-VXNVDRBHSA-N -1 2 338.366 2.779 20 5 EFBDLM C[C@H](Cc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592873560 979736572 /nfs/dbraw/zinc/73/65/72/979736572.db2.gz VXXCYFPFABPHJI-SNVBAGLBSA-N -1 2 344.323 2.816 20 5 EFBDLM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001600373817 1095012858 /nfs/dbraw/zinc/01/28/58/1095012858.db2.gz ZAQUNYBEPWPXOF-CQSZACIVSA-N -1 2 344.323 2.555 20 5 EFBDLM CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc([N+](=O)[O-])cc1O ZINC001603807141 1096634604 /nfs/dbraw/zinc/63/46/04/1096634604.db2.gz XKNKBUBJCHKCDL-UHFFFAOYSA-N -1 2 338.360 2.509 20 5 EFBDLM Cc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001607841893 1097750046 /nfs/dbraw/zinc/75/00/46/1097750046.db2.gz BDKOOGIPFVGHEU-CQSZACIVSA-N -1 2 344.323 2.555 20 5 EFBDLM O=c1[nH]ccc(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1[N+](=O)[O-] ZINC000596052736 479109070 /nfs/dbraw/zinc/10/90/70/479109070.db2.gz JHXCHNVEFZZVTP-UHFFFAOYSA-N -1 2 348.790 2.671 20 5 EFBDLM COc1ccc(Cc2nnc(-c3cc([N+](=O)[O-])c(O)cc3[O-])o2)cc1 ZINC001254807164 1315745564 /nfs/dbraw/zinc/74/55/64/1315745564.db2.gz GYUKSCXYXBCALQ-UHFFFAOYSA-N -1 2 343.295 2.655 20 5 EFBDLM C[C@@H](Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1)C(=O)[O-] ZINC001592872148 979727831 /nfs/dbraw/zinc/72/78/31/979727831.db2.gz FBNLWDKQZIXXFP-JTQLQIEISA-N -1 2 344.323 2.816 20 5 EFBDLM CCCc1c(C(=O)Nc2ccc(O)c([N+](=O)[O-])c2)[nH]c(C)c1C(=O)[O-] ZINC001596045152 983331141 /nfs/dbraw/zinc/33/11/41/983331141.db2.gz BGVKLSRWTVPXRC-UHFFFAOYSA-N -1 2 347.327 2.840 20 5 EFBDLM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])cc1O ZINC001600154693 1094816720 /nfs/dbraw/zinc/81/67/20/1094816720.db2.gz FEAOFAYACNUJNC-UHFFFAOYSA-N -1 2 330.296 2.868 20 5 EFBDLM O=C([O-])c1c[nH]c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3O)ccc12 ZINC001601612420 1095763186 /nfs/dbraw/zinc/76/31/86/1095763186.db2.gz FMYQVASENRYTFH-UHFFFAOYSA-N -1 2 341.279 2.732 20 5 EFBDLM O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])c1 ZINC001602264831 1096148866 /nfs/dbraw/zinc/14/88/66/1096148866.db2.gz YDPRDWTVNYVTBV-UHFFFAOYSA-N -1 2 336.687 2.904 20 5 EFBDLM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)c(C(=O)[O-])c1C ZINC001607806077 1097739038 /nfs/dbraw/zinc/73/90/38/1097739038.db2.gz UBGFUIDRAUWLCS-UHFFFAOYSA-N -1 2 330.296 2.868 20 5 EFBDLM O=C([O-])c1ccccc1CCC(=O)Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001608318169 1097893137 /nfs/dbraw/zinc/89/31/37/1097893137.db2.gz APRWKMCWSXIXOK-UHFFFAOYSA-N -1 2 330.296 2.570 20 5 EFBDLM O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ccc([N+](=O)[O-])cc1 ZINC000377944528 476649591 /nfs/dbraw/zinc/64/95/91/476649591.db2.gz ADKRZEGAYXLOPL-UHFFFAOYSA-N -1 2 345.265 2.910 20 5 EFBDLM O=C([O-])CCc1cccc(NC(=O)c2ccc(O)c([N+](=O)[O-])c2)c1 ZINC000436841453 477610447 /nfs/dbraw/zinc/61/04/47/477610447.db2.gz AQRQOFFQGDFRNJ-UHFFFAOYSA-N -1 2 330.296 2.570 20 5 EFBDLM C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001589520763 987163139 /nfs/dbraw/zinc/16/31/39/987163139.db2.gz CKPXGYTVSOYHNM-SECBINFHSA-N -1 2 330.296 2.741 20 5 EFBDLM Cc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2O)cc1 ZINC001600373815 1095013318 /nfs/dbraw/zinc/01/33/18/1095013318.db2.gz ZAQUNYBEPWPXOF-AWEZNQCLSA-N -1 2 344.323 2.555 20 5 EFBDLM Cc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])cc2O)c1 ZINC001607841892 1097750662 /nfs/dbraw/zinc/75/06/62/1097750662.db2.gz BDKOOGIPFVGHEU-AWEZNQCLSA-N -1 2 344.323 2.555 20 5 EFBDLM Cc1ccc([C@@H](C)NC(=O)c2cccc3[nH]nnc32)cc1[N+](=O)[O-] ZINC000188302721 474051484 /nfs/dbraw/zinc/05/14/84/474051484.db2.gz HRQMNOVCYWBZDR-SNVBAGLBSA-N -1 2 325.328 2.666 20 5 EFBDLM O=C1N=NC(C2CCN(c3[nH+]ccc4ccc([N+](=O)[O-])cc43)CC2)O1 ZINC000413286791 477610863 /nfs/dbraw/zinc/61/08/63/477610863.db2.gz SKQSUKWBUYVREY-UHFFFAOYSA-N -1 2 341.327 2.616 20 5 EFBDLM