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-])Cc1cccc(Nc2ncc([N+](=O)[O-])c3ccccc32)c1 ZINC001595138060 952066327 /nfs/dbraw/zinc/06/63/27/952066327.db2.gz HGPAAKAWWIKSAA-UHFFFAOYSA-N -1 0 323.308 3.514 20 5 DHBDRM O=C([O-])c1ccc(OCc2ccccc2[N+](=O)[O-])c(Cl)c1 ZINC000013085065 956935600 /nfs/dbraw/zinc/93/56/00/956935600.db2.gz LXSHUGSVSAWMHI-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM O=[N+]([O-])c1cc(F)ccc1[N-]c1nc(C(F)(F)F)cs1 ZINC001210950575 1014095806 /nfs/dbraw/zinc/09/58/06/1014095806.db2.gz YMVRBXRWSTXXCL-UHFFFAOYSA-N -1 0 307.228 3.953 20 5 DHBDRM O=C([O-])c1cnc(/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)s1 ZINC000749357470 978688727 /nfs/dbraw/zinc/68/87/27/978688727.db2.gz GFHIAHDKHMXSSC-DUXPYHPUSA-N -1 0 310.718 3.573 20 5 DHBDRM CC[C@H](CC(F)(F)F)Nc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001595042732 979238891 /nfs/dbraw/zinc/23/88/91/979238891.db2.gz SNQQNTBWZYTEBT-MRVPVSSYSA-N -1 0 320.267 3.744 20 5 DHBDRM CCC(CC)[C@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595105919 979427085 /nfs/dbraw/zinc/42/70/85/979427085.db2.gz UFFHQHZXFJELDN-VIFPVBQESA-N -1 0 322.361 3.612 20 5 DHBDRM CC[C@H](Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC001595317448 980492971 /nfs/dbraw/zinc/49/29/71/980492971.db2.gz TWHZINXECGDVQG-AWEZNQCLSA-N -1 0 320.389 3.993 20 5 DHBDRM CC[C@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C1CCCCC1 ZINC001595323638 980525563 /nfs/dbraw/zinc/52/55/63/980525563.db2.gz ZRYHXCKXHKUWNX-ZDUSSCGKSA-N -1 0 321.377 3.767 20 5 DHBDRM CCCC1(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001595617088 981648764 /nfs/dbraw/zinc/64/87/64/981648764.db2.gz PKAIMXAENKKPDN-XQRVVYSFSA-N -1 0 304.346 3.685 20 5 DHBDRM CCC(C)(C)CCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001594800856 981890884 /nfs/dbraw/zinc/89/08/84/981890884.db2.gz MHDLKOVZRJMVDD-VURMDHGXSA-N -1 0 306.362 3.931 20 5 DHBDRM CCCCC[C@H](C)CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595666834 982108391 /nfs/dbraw/zinc/10/83/91/982108391.db2.gz UFJAYDWKOSGYLP-NSHDSACASA-N -1 0 323.345 3.805 20 5 DHBDRM C[C@@H]1CCCC[C@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000920957558 982694630 /nfs/dbraw/zinc/69/46/30/982694630.db2.gz SCDMFHBJSWRVBS-ONGSHHINSA-N -1 0 304.346 3.683 20 5 DHBDRM CC(C)(C(=O)[O-])c1ccc(Nc2ccsc2[N+](=O)[O-])cc1 ZINC001589641262 987563918 /nfs/dbraw/zinc/56/39/18/987563918.db2.gz OOJBPBDRUPOOCW-UHFFFAOYSA-N -1 0 306.343 3.762 20 5 DHBDRM CC(C)(C)C1CC(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001589726625 987912081 /nfs/dbraw/zinc/91/20/81/987912081.db2.gz NQEHJZYGZIUFDH-FNORWQNLSA-N -1 0 318.373 3.929 20 5 DHBDRM CC(C)(CNC(=O)c1c2ccccc2cc2ccccc21)C(=O)[O-] ZINC001590747387 990546544 /nfs/dbraw/zinc/54/65/44/990546544.db2.gz VSEFIYWIDNWQPV-UHFFFAOYSA-N -1 0 321.376 3.834 20 5 DHBDRM CC(C)[C@H]1CCC[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001591089003 991628110 /nfs/dbraw/zinc/62/81/10/991628110.db2.gz OPNUMTQXXGAYGC-NWDGAFQWSA-N -1 0 321.377 3.705 20 5 DHBDRM CC(C)CC[C@@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001591218184 992077939 /nfs/dbraw/zinc/07/79/39/992077939.db2.gz SUZHLDKSARNSPI-YPUOHESYSA-N -1 0 306.362 3.929 20 5 DHBDRM C[C@@H]1CC(C)(C)CC[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001594217062 998836510 /nfs/dbraw/zinc/83/65/10/998836510.db2.gz MMWCXNNOOHOLJJ-DGCLKSJQSA-N -1 0 320.389 3.849 20 5 DHBDRM CC[C@H](C)C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001147862347 1032348372 /nfs/dbraw/zinc/34/83/72/1032348372.db2.gz WJJXRDKSKOOSET-DTWKUNHWSA-N -1 0 314.769 3.508 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1/C=C/c1ccc2cccc(O)c2n1 ZINC000448112572 1018537644 /nfs/dbraw/zinc/53/76/44/1018537644.db2.gz FJWDGNHJHMWZKY-FNORWQNLSA-N -1 0 308.293 3.725 20 5 DHBDRM Cc1cc(F)c(NC(=O)c2cnc(C(C)C)s2)cc1[N+](=O)[O-] ZINC000282535037 1019023123 /nfs/dbraw/zinc/02/31/23/1019023123.db2.gz VVFMRBWLTVRYLY-UHFFFAOYSA-N -1 0 323.349 3.875 20 5 DHBDRM Cc1cc(F)ccc1[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000922666483 1020200691 /nfs/dbraw/zinc/20/06/91/1020200691.db2.gz ZLXVZSHVUFFMJI-LLVKDONJSA-N -1 0 304.321 3.599 20 5 DHBDRM C[C@@H](c1ccc(F)c(F)c1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338889938 1020342604 /nfs/dbraw/zinc/34/26/04/1020342604.db2.gz KUNVGTKTKMMVSB-JTQLQIEISA-N -1 0 322.311 3.772 20 5 DHBDRM O=c1[nH]c(-c2ccc(O)c(F)c2)nc2cc3ccccc3cc12 ZINC000128656575 1021309901 /nfs/dbraw/zinc/30/99/01/1021309901.db2.gz BFGPCFDIBNPHPJ-UHFFFAOYSA-N -1 0 306.296 3.588 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1[O-] ZINC000498551027 1021707408 /nfs/dbraw/zinc/70/74/08/1021707408.db2.gz YXLCKGUWNZPEGJ-UHFFFAOYSA-N -1 0 323.230 3.863 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1sccc1Cl ZINC000195335347 1022127974 /nfs/dbraw/zinc/12/79/74/1022127974.db2.gz ZGNORXYBRHYFQV-OWOJBTEDSA-N -1 0 310.718 3.573 20 5 DHBDRM Cc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])s1 ZINC000180782422 1022815483 /nfs/dbraw/zinc/81/54/83/1022815483.db2.gz FVHQRXQZCMHPGI-UHFFFAOYSA-N -1 0 312.734 3.576 20 5 DHBDRM CCC[C@@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC000568767875 1024364009 /nfs/dbraw/zinc/36/40/09/1024364009.db2.gz YMNOXGKVPOYELX-CYBMUJFWSA-N -1 0 315.329 3.641 20 5 DHBDRM CC(C)CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000613914721 1024407591 /nfs/dbraw/zinc/40/75/91/1024407591.db2.gz OWKYBKUVCQZJSO-UHFFFAOYSA-N -1 0 314.341 3.603 20 5 DHBDRM CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1cc(C)ccc1OC ZINC000772806970 1024721846 /nfs/dbraw/zinc/72/18/46/1024721846.db2.gz NVIFSLWJDSZCGJ-CYBMUJFWSA-N -1 0 318.329 3.548 20 5 DHBDRM CC[C@H](C)n1ncc(Nc2ncc([N+](=O)[O-])cc2F)c1C1CC1 ZINC000413214529 1026777421 /nfs/dbraw/zinc/77/74/21/1026777421.db2.gz LZHXUFPPWZNBAS-VIFPVBQESA-N -1 0 319.340 3.917 20 5 DHBDRM O=C(Oc1ccc(C2CC2)cc1Cl)c1ccc([N+](=O)[O-])[n-]1 ZINC000816217050 1028771594 /nfs/dbraw/zinc/77/15/94/1028771594.db2.gz JMSTXOVDNIEKGB-UHFFFAOYSA-N -1 0 306.705 3.673 20 5 DHBDRM O=C(N[C@@H]1CCCCC12CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000324559069 1028857988 /nfs/dbraw/zinc/85/79/88/1028857988.db2.gz RTRFXYFXPBYZHR-OAHLLOKOSA-N -1 0 318.373 3.533 20 5 DHBDRM Cc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2cccnc12 ZINC001174504443 1034462136 /nfs/dbraw/zinc/46/21/36/1034462136.db2.gz FMVDXUJVZHFPHO-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM CCCc1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174505802 1034464666 /nfs/dbraw/zinc/46/46/66/1034464666.db2.gz OBSJDHRVIJOPBT-UHFFFAOYSA-N -1 0 300.314 3.989 20 5 DHBDRM Cc1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)c1 ZINC000555393425 1034673040 /nfs/dbraw/zinc/67/30/40/1034673040.db2.gz WOBCBCABKSWDTD-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM Cc1ccc2nc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc2c1 ZINC001176673581 1035312261 /nfs/dbraw/zinc/31/22/61/1035312261.db2.gz WLXIZYRUHFAQOV-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM CCOc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001176678912 1035312531 /nfs/dbraw/zinc/31/25/31/1035312531.db2.gz CFVFKRQNTATUFN-UHFFFAOYSA-N -1 0 320.276 3.574 20 5 DHBDRM O=C([O-])c1cc(Nc2cnccc2C2CCC2)cc([N+](=O)[O-])c1 ZINC001176678490 1035312741 /nfs/dbraw/zinc/31/27/41/1035312741.db2.gz QNAZLCMGCFCSRP-UHFFFAOYSA-N -1 0 313.313 3.699 20 5 DHBDRM Cc1c(C)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1F ZINC001176679106 1035312807 /nfs/dbraw/zinc/31/28/07/1035312807.db2.gz DIKOMLZQVNLEDD-UHFFFAOYSA-N -1 0 304.277 3.793 20 5 DHBDRM Cn1ccc2c1cccc2Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680525 1035313223 /nfs/dbraw/zinc/31/32/23/1035313223.db2.gz ULJYWAMLORZGDD-UHFFFAOYSA-N -1 0 311.297 3.528 20 5 DHBDRM Cc1ccc(NC(=O)c2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC000775632328 1036119208 /nfs/dbraw/zinc/11/92/08/1036119208.db2.gz XWACSZRRYHEGRZ-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1ccc([C@@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000387076067 1037059971 /nfs/dbraw/zinc/05/99/71/1037059971.db2.gz VKJRHSCIPLXBQL-LLVKDONJSA-N -1 0 300.314 3.775 20 5 DHBDRM Cc1cc(CC(C)C)ncc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001199828880 1037345596 /nfs/dbraw/zinc/34/55/96/1037345596.db2.gz XHRZNRWRZFVCRH-UHFFFAOYSA-N -1 0 301.346 3.946 20 5 DHBDRM O=S(=O)([N-]c1ccc2cc3ccccc3cc2c1)c1c[nH]cn1 ZINC001187760867 1037723171 /nfs/dbraw/zinc/72/31/71/1037723171.db2.gz BTXZHZXAOPHWBR-UHFFFAOYSA-N -1 0 323.377 3.517 20 5 DHBDRM O=C([O-])CC[C@@H](Cc1ccccc1)Nc1sccc1[N+](=O)[O-] ZINC000591327389 1038802349 /nfs/dbraw/zinc/80/23/49/1038802349.db2.gz NUZSPPDAIIDTRN-LBPRGKRZSA-N -1 0 320.370 3.544 20 5 DHBDRM Cc1nc(CSCc2cc([O-])ccc2[N+](=O)[O-])sc1C ZINC000593188818 1040480557 /nfs/dbraw/zinc/48/05/57/1040480557.db2.gz CQGGFWHDOPMMJB-UHFFFAOYSA-N -1 0 310.400 3.807 20 5 DHBDRM CC(C)n1ccc(CSCc2cc([O-])ccc2[N+](=O)[O-])n1 ZINC000593189114 1040490841 /nfs/dbraw/zinc/49/08/41/1040490841.db2.gz VZPNSBBUJJCWHZ-UHFFFAOYSA-N -1 0 307.375 3.511 20 5 DHBDRM Cc1nc(C)c(CSCc2cc([O-])ccc2[N+](=O)[O-])s1 ZINC000593189615 1040494039 /nfs/dbraw/zinc/49/40/39/1040494039.db2.gz VQTIAHQMFLSEBK-UHFFFAOYSA-N -1 0 310.400 3.807 20 5 DHBDRM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000609045489 1040667080 /nfs/dbraw/zinc/66/70/80/1040667080.db2.gz QJCQPWPZZJHKPL-GXTWGEPZSA-N -1 0 320.389 3.635 20 5 DHBDRM CC[C@@H](C)n1nc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])cc1C ZINC000542863667 435648161 /nfs/dbraw/zinc/64/81/61/435648161.db2.gz ACQAXSBFAQRLGG-LLVKDONJSA-N -1 0 303.366 3.826 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cccc(Cl)c1 ZINC000255214987 331724778 /nfs/dbraw/zinc/72/47/78/331724778.db2.gz CMOAAQBFYNDHDH-PLNGDYQASA-N -1 0 304.689 3.512 20 5 DHBDRM CC(C)[C@@H]1CCC[C@@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000560627715 332371696 /nfs/dbraw/zinc/37/16/96/332371696.db2.gz CYOFRFDSNHFTEQ-CHWSQXEVSA-N -1 0 320.389 3.635 20 5 DHBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416283033 334659606 /nfs/dbraw/zinc/65/96/06/334659606.db2.gz DNYUAWFEPJOUQT-ZIAGYGMSSA-N -1 0 320.389 3.587 20 5 DHBDRM CCc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445180814 338495297 /nfs/dbraw/zinc/49/52/97/338495297.db2.gz CWDULZRFFHQKAJ-UHFFFAOYSA-N -1 0 311.297 3.580 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)s1 ZINC000445472076 338495948 /nfs/dbraw/zinc/49/59/48/338495948.db2.gz NMLJFIHYGWLZNT-UHFFFAOYSA-N -1 0 323.717 3.732 20 5 DHBDRM CSc1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000354532165 336473796 /nfs/dbraw/zinc/47/37/96/336473796.db2.gz AFQMGSGQYUFPQN-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM CC(C)c1occc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000359948563 336694974 /nfs/dbraw/zinc/69/49/74/336694974.db2.gz BQXFUNMYJWTILR-UHFFFAOYSA-N -1 0 324.720 3.923 20 5 DHBDRM Cc1cc(Cl)ccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432585587 338159855 /nfs/dbraw/zinc/15/98/55/338159855.db2.gz SVZDLCXWQAGKQE-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CC(=O)Nc1ccc(SCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000436475185 338273547 /nfs/dbraw/zinc/27/35/47/338273547.db2.gz NMDPPSHSWFYRNW-UHFFFAOYSA-N -1 0 318.354 3.551 20 5 DHBDRM CC(C)C[C@H]1CCCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436961809 338296121 /nfs/dbraw/zinc/29/61/21/338296121.db2.gz AMJHSTWHFVQQNL-CQSZACIVSA-N -1 0 320.389 3.731 20 5 DHBDRM O=C(Nc1cccc2ccsc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436975725 338296436 /nfs/dbraw/zinc/29/64/36/338296436.db2.gz MGKSVTZKZBZKOF-UHFFFAOYSA-N -1 0 314.322 3.767 20 5 DHBDRM O=C([O-])c1cccc2oc(/C=C\c3ccccc3[N+](=O)[O-])nc21 ZINC000439269085 338365557 /nfs/dbraw/zinc/36/55/57/338365557.db2.gz CGFWNNYWYXRUJT-HJWRWDBZSA-N -1 0 310.265 3.605 20 5 DHBDRM CC(C)C[C@@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000462767358 339087638 /nfs/dbraw/zinc/08/76/38/339087638.db2.gz LTKXQMMSKOUERR-MRVPVSSYSA-N -1 0 300.742 3.575 20 5 DHBDRM CC(C)c1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000506075399 340184882 /nfs/dbraw/zinc/18/48/82/340184882.db2.gz ZLFZCKPUIGPZKC-YVMONPNESA-N -1 0 312.325 3.982 20 5 DHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1csc2ccccc12 ZINC000126238801 340825503 /nfs/dbraw/zinc/82/55/03/340825503.db2.gz ZWBDZHXWQBJRFA-UHFFFAOYSA-N -1 0 314.322 3.767 20 5 DHBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@H](C)C1CCCCC1 ZINC000552053990 341365471 /nfs/dbraw/zinc/36/54/71/341365471.db2.gz DYRFAJOHMMLSEJ-NWDGAFQWSA-N -1 0 320.389 3.635 20 5 DHBDRM C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000013189731 600167091 /nfs/dbraw/zinc/16/70/91/600167091.db2.gz ISOVSKQCQIWDMX-ZJNQMXKESA-N -1 0 312.325 3.866 20 5 DHBDRM C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000736669822 600283110 /nfs/dbraw/zinc/28/31/10/600283110.db2.gz ADBQTDUKHMFZOB-DVBBHNHCSA-N -1 0 304.346 3.683 20 5 DHBDRM O=C([O-])c1cc(OCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000087093468 600441256 /nfs/dbraw/zinc/44/12/56/600441256.db2.gz JOIFGKOEPZADLG-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM O=C([O-])c1cc(NCc2cccc([N+](=O)[O-])c2)ccc1Cl ZINC000020879075 600675617 /nfs/dbraw/zinc/67/56/17/600675617.db2.gz XURCUNMQMVDGOW-UHFFFAOYSA-N -1 0 306.705 3.559 20 5 DHBDRM CC(C)(C(=O)[O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2F)cc1 ZINC000826127398 600817607 /nfs/dbraw/zinc/81/76/07/600817607.db2.gz SFVGUOSHQZRMDV-UHFFFAOYSA-N -1 0 318.304 3.840 20 5 DHBDRM O=C([O-])c1ccc(OCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000093631669 600863857 /nfs/dbraw/zinc/86/38/57/600863857.db2.gz FLFKRNXVGOWUJB-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCCCCCC2)cc1Cl ZINC000740089276 600942690 /nfs/dbraw/zinc/94/26/90/600942690.db2.gz COJKCYZYRNFJNA-UHFFFAOYSA-N -1 0 312.753 3.717 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2ccccc2)cc1Cl ZINC000740094388 600943012 /nfs/dbraw/zinc/94/30/12/600943012.db2.gz CDXLPGIXECQBIB-UHFFFAOYSA-N -1 0 306.705 3.559 20 5 DHBDRM O=C([O-])c1ccc(CSCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000833316724 601815587 /nfs/dbraw/zinc/81/55/87/601815587.db2.gz JFKPEWKWNIXRLH-UHFFFAOYSA-N -1 0 321.329 3.866 20 5 DHBDRM Cc1cc(N[C@H](C)c2cccs2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896572 602311844 /nfs/dbraw/zinc/31/18/44/602311844.db2.gz CSLGENGZJGKIRL-SECBINFHSA-N -1 0 306.343 3.836 20 5 DHBDRM Cc1cc(N[C@@H](C)c2cccs2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896573 602311930 /nfs/dbraw/zinc/31/19/30/602311930.db2.gz CSLGENGZJGKIRL-VIFPVBQESA-N -1 0 306.343 3.836 20 5 DHBDRM CS[C@H]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573003859 602318832 /nfs/dbraw/zinc/31/88/32/602318832.db2.gz CRFODHJKHQSEJL-JQWIXIFHSA-N -1 0 324.402 3.688 20 5 DHBDRM CC1(C)CCCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828065003 604266721 /nfs/dbraw/zinc/26/67/21/604266721.db2.gz HNKLFQCSFFGEJT-UHFFFAOYSA-N -1 0 312.753 3.573 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2C[C@@H]3CCCC[C@H]3C2)cc1Cl ZINC000833306949 604271345 /nfs/dbraw/zinc/27/13/45/604271345.db2.gz HGGMWFNKBNYREX-UWVGGRQHSA-N -1 0 324.764 3.573 20 5 DHBDRM C[C@@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)[O-] ZINC000833545139 605171595 /nfs/dbraw/zinc/17/15/95/605171595.db2.gz NXZHACHQKXAAFZ-SNVBAGLBSA-N -1 0 323.377 3.601 20 5 DHBDRM O=C([O-])c1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1 ZINC000013084761 956934056 /nfs/dbraw/zinc/93/40/56/956934056.db2.gz KDSBXHDNLLNFMX-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM O=C([O-])c1ccccc1COc1cc([N+](=O)[O-])ccc1Cl ZINC000070089000 957660584 /nfs/dbraw/zinc/66/05/84/957660584.db2.gz SFBIRYWVGGGLQB-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM CC(C)c1cccc(COc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001591991426 976618277 /nfs/dbraw/zinc/61/82/77/976618277.db2.gz CXCNQLPDTGZJKT-UHFFFAOYSA-N -1 0 315.325 3.995 20 5 DHBDRM CCC(CC)[C@@H](C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C ZINC001595105918 979426983 /nfs/dbraw/zinc/42/69/83/979426983.db2.gz UFFHQHZXFJELDN-SECBINFHSA-N -1 0 322.361 3.612 20 5 DHBDRM CC[C@@H]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001595435897 981066955 /nfs/dbraw/zinc/06/69/55/981066955.db2.gz MZRXYDAIQVYLQT-VXGBXAGGSA-N -1 0 306.362 3.982 20 5 DHBDRM CCCC[C@@H](CCC)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595632338 981853111 /nfs/dbraw/zinc/85/31/11/981853111.db2.gz FNGAWBIQHIRRBW-LLVKDONJSA-N -1 0 309.366 3.706 20 5 DHBDRM CCCC[C@@H](CC)CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595632797 981860720 /nfs/dbraw/zinc/86/07/20/981860720.db2.gz RBBJAMJGEKCFHT-LLVKDONJSA-N -1 0 323.345 3.805 20 5 DHBDRM CCCC[C@@H](CCC)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001595633789 981877035 /nfs/dbraw/zinc/87/70/35/981877035.db2.gz WMCPLHMBWHBMTK-CYBMUJFWSA-N -1 0 308.378 3.993 20 5 DHBDRM CCCC[C@H](Sc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001595657890 982067566 /nfs/dbraw/zinc/06/75/66/982067566.db2.gz VEYNSWLSPHADCM-NSHDSACASA-N -1 0 303.767 3.984 20 5 DHBDRM CCCCCC(C)(C)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595663247 982082776 /nfs/dbraw/zinc/08/27/76/982082776.db2.gz SJAHLTTWPAWVRQ-UHFFFAOYSA-N -1 0 323.345 3.805 20 5 DHBDRM O=C([O-])/C=C/c1ccc(NCCC2=CCCCC2)c([N+](=O)[O-])c1 ZINC000920961540 982695790 /nfs/dbraw/zinc/69/57/90/982695790.db2.gz QHKZNNIAGUOPHK-VQHVLOKHSA-N -1 0 316.357 3.995 20 5 DHBDRM CCCc1ccccc1Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001596070645 983386606 /nfs/dbraw/zinc/38/66/06/983386606.db2.gz RIMFXPONORGLTG-UHFFFAOYSA-N -1 0 315.329 3.693 20 5 DHBDRM C/C(=C/Cl)CSc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001588990812 984912412 /nfs/dbraw/zinc/91/24/12/984912412.db2.gz HMOQHLCTFOPGIB-XORISBCWSA-N -1 0 313.762 3.927 20 5 DHBDRM CCS[C@@H]1CCC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001597255501 987255124 /nfs/dbraw/zinc/25/51/24/987255124.db2.gz CWUGDWVVDOOOFK-NWDGAFQWSA-N -1 0 324.402 3.769 20 5 DHBDRM O=[N+]([O-])c1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)ccc1[O-] ZINC000261367118 1015307216 /nfs/dbraw/zinc/30/72/16/1015307216.db2.gz HETGVOYYLWDXFH-UHFFFAOYSA-N -1 0 323.230 3.863 20 5 DHBDRM CN(Cc1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC001598507279 992522478 /nfs/dbraw/zinc/52/24/78/992522478.db2.gz LMYFRFHJSBEPAV-UHFFFAOYSA-N -1 0 320.732 3.583 20 5 DHBDRM C[C@H](Sc1ncccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593678618 996093611 /nfs/dbraw/zinc/09/36/11/996093611.db2.gz VGBPGHNWKTWVCM-VIFPVBQESA-N -1 0 304.327 3.541 20 5 DHBDRM C[C@@H](Sc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001593679528 996101123 /nfs/dbraw/zinc/10/11/23/996101123.db2.gz LIRCOSVPLNOEQL-MRVPVSSYSA-N -1 0 322.317 3.680 20 5 DHBDRM CC1(C)CCC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001593888309 996731408 /nfs/dbraw/zinc/73/14/08/996731408.db2.gz WCXHPWYPTHTRHC-NSHDSACASA-N -1 0 306.362 3.921 20 5 DHBDRM CC1(C)CCCC[C@H]1COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001593903644 996775494 /nfs/dbraw/zinc/77/54/94/996775494.db2.gz GYVANMKHWLQTNM-LBPRGKRZSA-N -1 0 307.346 3.888 20 5 DHBDRM CCC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000216597046 1012025692 /nfs/dbraw/zinc/02/56/92/1012025692.db2.gz MFIYWSDGKGNVRG-CQSZACIVSA-N -1 0 314.341 3.823 20 5 DHBDRM CC(C)c1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000318546682 1020046409 /nfs/dbraw/zinc/04/64/09/1020046409.db2.gz MKPCSIAKGZAKBM-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM C[C@H](c1ccc(F)c(F)c1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338889939 1020341514 /nfs/dbraw/zinc/34/15/14/1020341514.db2.gz KUNVGTKTKMMVSB-SNVBAGLBSA-N -1 0 322.311 3.772 20 5 DHBDRM C[C@@H](c1ccc(F)cc1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338890607 1020343100 /nfs/dbraw/zinc/34/31/00/1020343100.db2.gz UGYYPCVQICBCIX-NSHDSACASA-N -1 0 304.321 3.633 20 5 DHBDRM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000553507636 1020352692 /nfs/dbraw/zinc/35/26/92/1020352692.db2.gz NEAPSVZREVGHPE-UHFFFAOYSA-N -1 0 320.776 3.979 20 5 DHBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416294619 1022241504 /nfs/dbraw/zinc/24/15/04/1022241504.db2.gz SAWXAXSXIUQYIV-HUUCEWRRSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1ccc(C)c(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339126220 1024569580 /nfs/dbraw/zinc/56/95/80/1024569580.db2.gz UHOLXNGFFGWITQ-UHFFFAOYSA-N -1 0 300.358 3.549 20 5 DHBDRM O=C([O-])c1ccnc(/C=C/c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000585728118 1024574146 /nfs/dbraw/zinc/57/41/46/1024574146.db2.gz PURVPTUUXDSLRB-HNQUOIGGSA-N -1 0 304.689 3.512 20 5 DHBDRM C[C@H](c1ccccc1F)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000349913508 1024768006 /nfs/dbraw/zinc/76/80/06/1024768006.db2.gz LGRIFNBBYDSBCF-LLVKDONJSA-N -1 0 304.321 3.633 20 5 DHBDRM CN(Cc1ccc(Cl)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000350055538 1024786328 /nfs/dbraw/zinc/78/63/28/1024786328.db2.gz SYLCUEKEVUMVCA-UHFFFAOYSA-N -1 0 306.749 3.586 20 5 DHBDRM Cc1cccc(C(=O)Nc2cc(Cl)c([O-])cc2F)c1[N+](=O)[O-] ZINC000805258673 1025568992 /nfs/dbraw/zinc/56/89/92/1025568992.db2.gz KYCMZLHUVBEDRN-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM Cc1sc(/C=C\c2cc(Cl)ccc2[N+](=O)[O-])nc1C(=O)[O-] ZINC000806573121 1025927960 /nfs/dbraw/zinc/92/79/60/1025927960.db2.gz WVURLCGXNLCSIE-DJWKRKHSSA-N -1 0 324.745 3.882 20 5 DHBDRM CCOc1cccc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339068633 1034346647 /nfs/dbraw/zinc/34/66/47/1034346647.db2.gz LNZCGBHRJDKGRP-LBPRGKRZSA-N -1 0 316.357 3.550 20 5 DHBDRM COc1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1Cl ZINC001174504954 1034461801 /nfs/dbraw/zinc/46/18/01/1034461801.db2.gz MQFQTSZINFHPBF-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM O=C([O-])c1ccc(Nc2ccc(O)c3ccccc23)cc1[N+](=O)[O-] ZINC001174505443 1034462270 /nfs/dbraw/zinc/46/22/70/1034462270.db2.gz YBROTXSNIMLIFF-UHFFFAOYSA-N -1 0 324.292 3.895 20 5 DHBDRM Cc1cc(F)c(F)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504430 1034462438 /nfs/dbraw/zinc/46/24/38/1034462438.db2.gz DWIBPDTUDIGGFN-UHFFFAOYSA-N -1 0 308.240 3.623 20 5 DHBDRM Cc1cncc2cccc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c12 ZINC001174507643 1034466262 /nfs/dbraw/zinc/46/62/62/1034466262.db2.gz QFKMOIGBMVAUSR-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2cccnc12 ZINC001176676857 1035311490 /nfs/dbraw/zinc/31/14/90/1035311490.db2.gz JXPBJSQHVPWVSL-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc3sncc3c2)cc([N+](=O)[O-])c1 ZINC001176678839 1035312655 /nfs/dbraw/zinc/31/26/55/1035312655.db2.gz BFQMTHVMBLKOQR-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM O=C([O-])c1cc(Nc2c(O)ccc3ccccc32)cc([N+](=O)[O-])c1 ZINC001176679761 1035312952 /nfs/dbraw/zinc/31/29/52/1035312952.db2.gz LUNONCLCTRKSOW-UHFFFAOYSA-N -1 0 324.292 3.895 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc(O)c3ccccc23)cc([N+](=O)[O-])c1 ZINC001176680254 1035313203 /nfs/dbraw/zinc/31/32/03/1035313203.db2.gz UOPNWVRBBCYHDM-UHFFFAOYSA-N -1 0 324.292 3.895 20 5 DHBDRM Cc1cc([N+](=O)[O-])ccc1/C=C/c1nc2c(cccc2C(=O)[O-])o1 ZINC000485985015 1036073566 /nfs/dbraw/zinc/07/35/66/1036073566.db2.gz YJYWODCYTNVSTD-SOFGYWHQSA-N -1 0 324.292 3.913 20 5 DHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1CC2(C1)CCCCC2 ZINC000597491513 1037312152 /nfs/dbraw/zinc/31/21/52/1037312152.db2.gz MCXLWMOBVKWNKI-UHFFFAOYSA-N -1 0 304.346 3.599 20 5 DHBDRM Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cs1 ZINC000586804606 1037961677 /nfs/dbraw/zinc/96/16/77/1037961677.db2.gz OYPCSBGCPAXSHU-UHFFFAOYSA-N -1 0 312.734 3.576 20 5 DHBDRM O=S(=O)([N-]c1ccc2cc3ccccc3cc2c1)c1ncc[nH]1 ZINC001190728425 1038375746 /nfs/dbraw/zinc/37/57/46/1038375746.db2.gz WQNABXYHBRZFPB-UHFFFAOYSA-N -1 0 323.377 3.517 20 5 DHBDRM CC(C)c1nc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cs1 ZINC000171423409 1039477817 /nfs/dbraw/zinc/47/78/17/1039477817.db2.gz AFCRHQDAXOOPMR-UHFFFAOYSA-N -1 0 309.322 3.566 20 5 DHBDRM C[C@@H](CCc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1)CC(=O)[O-] ZINC000594874421 1039912906 /nfs/dbraw/zinc/91/29/06/1039912906.db2.gz MMHLTICJFOVUFW-LBPRGKRZSA-N -1 0 314.341 3.700 20 5 DHBDRM Cc1cc(N2CCC[C@H]2c2ccco2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571213562 333682309 /nfs/dbraw/zinc/68/23/09/333682309.db2.gz IVSGFLFXEZDIQH-ZDUSSCGKSA-N -1 0 316.313 3.536 20 5 DHBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416320004 334663069 /nfs/dbraw/zinc/66/30/69/334663069.db2.gz ZALHIUFLNJTITP-OLZOCXBDSA-N -1 0 320.389 3.587 20 5 DHBDRM CC(C)CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000356448463 336550315 /nfs/dbraw/zinc/55/03/15/336550315.db2.gz UWZMFZYJYGHUSM-UHFFFAOYSA-N -1 0 320.389 3.589 20 5 DHBDRM CC(C)c1ccccc1N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000426179790 338022337 /nfs/dbraw/zinc/02/23/37/338022337.db2.gz VCBQUTCCXSIQMJ-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM CSc1ccc2[nH]c(-c3ccc([N+](=O)[O-])c([O-])c3)nc2c1 ZINC000435683997 338245126 /nfs/dbraw/zinc/24/51/26/338245126.db2.gz RFRQRMDTSTVSHO-UHFFFAOYSA-N -1 0 301.327 3.566 20 5 DHBDRM Cc1ccc(Cl)cc1N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436703163 338283421 /nfs/dbraw/zinc/28/34/21/338283421.db2.gz CYFDASIKWYKFSW-UHFFFAOYSA-N -1 0 320.732 3.539 20 5 DHBDRM Cc1ccc(Cl)cc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436709584 338283647 /nfs/dbraw/zinc/28/36/47/338283647.db2.gz YJUXBMRBUCNFCJ-UHFFFAOYSA-N -1 0 320.732 3.539 20 5 DHBDRM Cc1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000436884437 338291838 /nfs/dbraw/zinc/29/18/38/338291838.db2.gz CNWXHXPSHUOQQM-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccc(C)c1C ZINC000436958369 338295923 /nfs/dbraw/zinc/29/59/23/338295923.db2.gz HGZFKJWPTXIEPY-UHFFFAOYSA-N -1 0 314.341 3.584 20 5 DHBDRM CCCN(CC1CCCCC1)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436962531 338296102 /nfs/dbraw/zinc/29/61/02/338296102.db2.gz FHBZKGASOJESKO-UHFFFAOYSA-N -1 0 320.389 3.733 20 5 DHBDRM CC(C)CC[C@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436970254 338296251 /nfs/dbraw/zinc/29/62/51/338296251.db2.gz CLNFYEUAQUIUAZ-CYBMUJFWSA-N -1 0 320.389 3.731 20 5 DHBDRM Cc1c(F)ccc(Cl)c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000476489476 339477404 /nfs/dbraw/zinc/47/74/04/339477404.db2.gz HNMGEXLTNGUAJS-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CCc1ccc(CC)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000506719141 340199979 /nfs/dbraw/zinc/19/99/79/340199979.db2.gz PLSDHLVDIPMNRB-UHFFFAOYSA-N -1 0 314.341 3.678 20 5 DHBDRM CC[C@H](C)[C@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000509489343 340271245 /nfs/dbraw/zinc/27/12/45/340271245.db2.gz RLSXCTBEXDRGDH-YUMQZZPRSA-N -1 0 300.742 3.575 20 5 DHBDRM C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000089531710 341405301 /nfs/dbraw/zinc/40/53/01/341405301.db2.gz ILNYKLBZVGRHCE-SNVBAGLBSA-N -1 0 318.304 3.572 20 5 DHBDRM CCSCC[C@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000830163725 600827914 /nfs/dbraw/zinc/82/79/14/600827914.db2.gz DBZWHGSQARXVQK-ZRQQLDRUSA-N -1 0 324.402 3.636 20 5 DHBDRM Cc1nc2ccc([N+](=O)[O-])cc2c(-c2ccccc2)c1C(=O)[O-] ZINC000000580073 601408739 /nfs/dbraw/zinc/40/87/39/601408739.db2.gz BTPABNGNDRVTLZ-UHFFFAOYSA-N -1 0 308.293 3.817 20 5 DHBDRM CC(=O)c1ccc(Oc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000823636156 603195230 /nfs/dbraw/zinc/19/52/30/603195230.db2.gz RXVXHVBRYXMNNY-UHFFFAOYSA-N -1 0 316.269 3.680 20 5 DHBDRM C[C@@H](NC(=O)[O-])c1ccc(CNc2ccc([N+](=O)[O-])s2)cc1 ZINC000825400910 604345484 /nfs/dbraw/zinc/34/54/84/604345484.db2.gz AQXYKINASSGZFX-SECBINFHSA-N -1 0 321.358 3.597 20 5 DHBDRM CC(C)Oc1ccc(Oc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC000833506546 605185854 /nfs/dbraw/zinc/18/58/54/605185854.db2.gz HAVNCTYGBYCNBC-UHFFFAOYSA-N -1 0 317.297 3.873 20 5 DHBDRM CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000018135665 1013314481 /nfs/dbraw/zinc/31/44/81/1013314481.db2.gz OCRXIVDULOHJBD-AWEZNQCLSA-N -1 0 314.341 3.572 20 5 DHBDRM Cc1cc(=O)[nH]c2cc(Nc3ccc([O-])c([N+](=O)[O-])c3)ccc12 ZINC001210397722 1013833801 /nfs/dbraw/zinc/83/38/01/1013833801.db2.gz FSYWWJHWWDULTD-UHFFFAOYSA-N -1 0 311.297 3.606 20 5 DHBDRM C[C@@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001592729616 979244328 /nfs/dbraw/zinc/24/43/28/979244328.db2.gz OEISUKYIXQBAEV-JTQLQIEISA-N -1 0 318.304 3.648 20 5 DHBDRM Cc1ccc([C@@H](C)Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])s1 ZINC000844207440 979355838 /nfs/dbraw/zinc/35/58/38/979355838.db2.gz IHJBQTHWWKTZPR-SECBINFHSA-N -1 0 321.358 3.539 20 5 DHBDRM C[C@H](COc1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CCCCC1 ZINC001592780300 979408563 /nfs/dbraw/zinc/40/85/63/979408563.db2.gz CMVOMLXVUVYHHZ-LLVKDONJSA-N -1 0 307.346 3.888 20 5 DHBDRM CCC(CC)CCCN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001595111248 979456025 /nfs/dbraw/zinc/45/60/25/979456025.db2.gz BKDLAFHOYRYMPA-UHFFFAOYSA-N -1 0 308.378 3.946 20 5 DHBDRM C[C@@H](CSc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001592831467 979557337 /nfs/dbraw/zinc/55/73/37/979557337.db2.gz BNDDIYFONDZLAX-JTQLQIEISA-N -1 0 318.354 3.584 20 5 DHBDRM CC[C@@H]1CCC[C@@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001595452731 981115642 /nfs/dbraw/zinc/11/56/42/981115642.db2.gz JLCKWFPLGDEZLJ-TXKQXAOOSA-N -1 0 318.373 3.931 20 5 DHBDRM CCCCC[C@H](CC)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595668612 982111371 /nfs/dbraw/zinc/11/13/71/982111371.db2.gz CAKYRVFJNPLMOQ-NSHDSACASA-N -1 0 323.345 3.805 20 5 DHBDRM C/C(=C\Cl)CSc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001588990811 984912670 /nfs/dbraw/zinc/91/26/70/984912670.db2.gz HMOQHLCTFOPGIB-WJDMQLPWSA-N -1 0 313.762 3.927 20 5 DHBDRM O=[N+]([O-])c1cc(/C=C\c2ccc3cccc(O)c3n2)ccc1[O-] ZINC000098021254 1015333240 /nfs/dbraw/zinc/33/32/40/1015333240.db2.gz VQZQIIPEQUTIDV-DAXSKMNVSA-N -1 0 308.293 3.725 20 5 DHBDRM CSc1ccccc1COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599823724 988559947 /nfs/dbraw/zinc/55/99/47/988559947.db2.gz ASIAQFWCECZBGD-UHFFFAOYSA-N -1 0 319.338 3.594 20 5 DHBDRM CC(C)(C)SCCCOc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001590429950 989988961 /nfs/dbraw/zinc/98/89/61/989988961.db2.gz RVCFSIHHSFNDHQ-UHFFFAOYSA-N -1 0 313.375 3.594 20 5 DHBDRM C[C@H](Sc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001593679530 996101063 /nfs/dbraw/zinc/10/10/63/996101063.db2.gz LIRCOSVPLNOEQL-QMMMGPOBSA-N -1 0 322.317 3.680 20 5 DHBDRM C[C@H]1CC(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@H](C)C1 ZINC001594223239 998860691 /nfs/dbraw/zinc/86/06/91/998860691.db2.gz RGGRLXAKYDYYKY-VXGBXAGGSA-N -1 0 320.389 3.706 20 5 DHBDRM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000339113727 1016814010 /nfs/dbraw/zinc/81/40/10/1016814010.db2.gz LDZXIVYXAHCAHX-LLVKDONJSA-N -1 0 312.325 3.897 20 5 DHBDRM C[C@@H]1c2ccc(F)cc2CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000611273708 1019431100 /nfs/dbraw/zinc/43/11/00/1019431100.db2.gz WOIYVPMLAZTCQQ-LLVKDONJSA-N -1 0 316.332 3.559 20 5 DHBDRM O=C(O[C@@H](C1CCCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000770221235 1023285842 /nfs/dbraw/zinc/28/58/42/1023285842.db2.gz ILOPSSWLTWRRBP-NSHDSACASA-N -1 0 320.267 3.591 20 5 DHBDRM CCC[C@H]1CCCC[C@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001299371523 1024766877 /nfs/dbraw/zinc/76/68/77/1024766877.db2.gz ACIIVGWELAYLNZ-STQMWFEESA-N -1 0 320.389 3.637 20 5 DHBDRM Cc1sc(/C=C/c2cc(Cl)ccc2[N+](=O)[O-])nc1C(=O)[O-] ZINC000806573123 1025929161 /nfs/dbraw/zinc/92/91/61/1025929161.db2.gz WVURLCGXNLCSIE-GORDUTHDSA-N -1 0 324.745 3.882 20 5 DHBDRM C[C@@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000155965940 1029346942 /nfs/dbraw/zinc/34/69/42/1029346942.db2.gz PGCFYKYGIROPSQ-JTQLQIEISA-N -1 0 318.304 3.572 20 5 DHBDRM CCC[C@@H](C)c1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)on1 ZINC001174502006 1034461152 /nfs/dbraw/zinc/46/11/52/1034461152.db2.gz BVYLWISJWLBKGA-SECBINFHSA-N -1 0 319.317 3.928 20 5 DHBDRM O=C([O-])c1ccc(Nc2cccc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC001174504407 1034461179 /nfs/dbraw/zinc/46/11/79/1034461179.db2.gz CXIXRICYPHWKHQ-UHFFFAOYSA-N -1 0 324.292 3.895 20 5 DHBDRM Cc1cc(Cl)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1O ZINC001174504590 1034461739 /nfs/dbraw/zinc/46/17/39/1034461739.db2.gz CKRFKPGATYTGRR-UHFFFAOYSA-N -1 0 322.704 3.704 20 5 DHBDRM CCC[C@H](C)c1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)on1 ZINC001174502007 1034462207 /nfs/dbraw/zinc/46/22/07/1034462207.db2.gz BVYLWISJWLBKGA-VIFPVBQESA-N -1 0 319.317 3.928 20 5 DHBDRM COc1cc(C)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(C)c1 ZINC001174507651 1034466959 /nfs/dbraw/zinc/46/69/59/1034466959.db2.gz QMVDJYGFKFPMET-UHFFFAOYSA-N -1 0 316.313 3.662 20 5 DHBDRM Cc1ccc2cccnc2c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176677106 1035311583 /nfs/dbraw/zinc/31/15/83/1035311583.db2.gz MAPPBXNYJROKRK-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM Cn1ccc2cc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc21 ZINC001176676194 1035312313 /nfs/dbraw/zinc/31/23/13/1035312313.db2.gz BGAKEJRCIPEABI-UHFFFAOYSA-N -1 0 311.297 3.528 20 5 DHBDRM Cc1c(Cl)cc(N)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176679517 1035312718 /nfs/dbraw/zinc/31/27/18/1035312718.db2.gz IDTJFYCVXUUCOC-UHFFFAOYSA-N -1 0 321.720 3.581 20 5 DHBDRM Cc1c(F)cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC001176679756 1035312756 /nfs/dbraw/zinc/31/27/56/1035312756.db2.gz LOBZFZXQZSIFQY-UHFFFAOYSA-N -1 0 308.240 3.623 20 5 DHBDRM CCC(=O)c1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176679520 1035312906 /nfs/dbraw/zinc/31/29/06/1035312906.db2.gz LVENTBTYTUGAFI-UHFFFAOYSA-N -1 0 314.297 3.629 20 5 DHBDRM CCc1ccc(OC)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176679671 1035313217 /nfs/dbraw/zinc/31/32/17/1035313217.db2.gz OINDDFSWHYIDBH-UHFFFAOYSA-N -1 0 316.313 3.608 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(F)cc(Cl)c1 ZINC000485395310 1035604472 /nfs/dbraw/zinc/60/44/72/1035604472.db2.gz DUUWIQTVVIRREV-UPHRSURJSA-N -1 0 322.679 3.651 20 5 DHBDRM O=C([N-]c1ccccc1SC(F)F)c1ccc([N+](=O)[O-])o1 ZINC000027383208 1036339305 /nfs/dbraw/zinc/33/93/05/1036339305.db2.gz MCLBBJFJGAFLOJ-UHFFFAOYSA-N -1 0 314.269 3.755 20 5 DHBDRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000491581222 1036604144 /nfs/dbraw/zinc/60/41/44/1036604144.db2.gz KGUAAOCXQUISKE-NEPJUHHUSA-N -1 0 320.389 3.587 20 5 DHBDRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000491581225 1036606393 /nfs/dbraw/zinc/60/63/93/1036606393.db2.gz KGUAAOCXQUISKE-VXGBXAGGSA-N -1 0 320.389 3.587 20 5 DHBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000915211271 1036699465 /nfs/dbraw/zinc/69/94/65/1036699465.db2.gz QDVUITBKVCKSNX-MRVPVSSYSA-N -1 0 322.267 3.744 20 5 DHBDRM O=[N+]([O-])c1cc(O)cc(Nc2ccc3[n-]c(=S)sc3c2)c1 ZINC001201221577 1037582601 /nfs/dbraw/zinc/58/26/01/1037582601.db2.gz BEYGLATWWZGWGG-UHFFFAOYSA-N -1 0 319.367 3.942 20 5 DHBDRM CC(C)c1cccc(N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000183487018 333058309 /nfs/dbraw/zinc/05/83/09/333058309.db2.gz ZKWMUMPYMRCHFL-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM CCCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCCC1 ZINC000565442093 333521782 /nfs/dbraw/zinc/52/17/82/333521782.db2.gz ATIJIQKJDKFUOV-UHFFFAOYSA-N -1 0 320.389 3.875 20 5 DHBDRM O=[N+]([O-])c1ccsc1[N-]c1cnn(-c2ccccc2F)c1 ZINC000302013417 336343067 /nfs/dbraw/zinc/34/30/67/336343067.db2.gz KUSYQSXVEYCCDL-UHFFFAOYSA-N -1 0 304.306 3.725 20 5 DHBDRM C[C@H](C(=O)Nc1cccc(Cl)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000516529929 338013510 /nfs/dbraw/zinc/01/35/10/338013510.db2.gz KLAXPHUMZRKKPE-VIFPVBQESA-N -1 0 320.732 3.696 20 5 DHBDRM O=C(N[C@@H]1CCCCC12CCCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436657439 338281812 /nfs/dbraw/zinc/28/18/12/338281812.db2.gz QCGZSEIUVSIXID-OAHLLOKOSA-N -1 0 318.373 3.533 20 5 DHBDRM CCC1(CC)CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436832044 338288960 /nfs/dbraw/zinc/28/89/60/338288960.db2.gz RLCVEQIBSIJMID-UHFFFAOYSA-N -1 0 320.389 3.733 20 5 DHBDRM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436893940 338292348 /nfs/dbraw/zinc/29/23/48/338292348.db2.gz QQLUQEIQYISJBX-UHFFFAOYSA-N -1 0 323.308 3.548 20 5 DHBDRM CC(C)C1CCC(N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000436946698 338295091 /nfs/dbraw/zinc/29/50/91/338295091.db2.gz FHHZCZBYBPKIJO-UHFFFAOYSA-N -1 0 320.389 3.587 20 5 DHBDRM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000436971771 338296256 /nfs/dbraw/zinc/29/62/56/338296256.db2.gz PYSINLLTATYWSV-CYBMUJFWSA-N -1 0 320.389 3.589 20 5 DHBDRM CC(C)CC[C@@H]1CCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436970256 338296270 /nfs/dbraw/zinc/29/62/70/338296270.db2.gz CLNFYEUAQUIUAZ-ZDUSSCGKSA-N -1 0 320.389 3.731 20 5 DHBDRM CC(=C\c1cccc([N+](=O)[O-])c1)/C=C\c1ncc(C(=O)[O-])s1 ZINC000469095165 339280026 /nfs/dbraw/zinc/28/00/26/339280026.db2.gz VNHCXXJURYYSJB-ZZWPSLBBSA-N -1 0 316.338 3.866 20 5 DHBDRM Cc1ccc([C@H](C)N(C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000507189050 340211985 /nfs/dbraw/zinc/21/19/85/340211985.db2.gz HWEAGRIEMFOILF-ZDUSSCGKSA-N -1 0 300.358 3.802 20 5 DHBDRM CC(/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-])=C/c1ccccc1 ZINC000508597101 340247340 /nfs/dbraw/zinc/24/73/40/340247340.db2.gz GLRLQPVUNREWCH-JNWHFCKMSA-N -1 0 310.309 3.805 20 5 DHBDRM CC(C)CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)(C)C ZINC000522398002 340600770 /nfs/dbraw/zinc/60/07/70/340600770.db2.gz CJXWVNFJBQFFMR-OAHLLOKOSA-N -1 0 322.405 3.881 20 5 DHBDRM Cc1ccc(Cl)c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000232214642 340630434 /nfs/dbraw/zinc/63/04/34/340630434.db2.gz MPXMIOHQNQAOFO-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CC(C)CC1(CNC(=O)c2cccc([O-])c2[N+](=O)[O-])CCCC1 ZINC000539488024 340886621 /nfs/dbraw/zinc/88/66/21/340886621.db2.gz CBAFVBVMHUZVRY-UHFFFAOYSA-N -1 0 320.389 3.637 20 5 DHBDRM O=C([O-])c1cc(NCc2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000549525855 341296318 /nfs/dbraw/zinc/29/63/18/341296318.db2.gz YVQAENWWQGYJST-UHFFFAOYSA-N -1 0 312.281 3.651 20 5 DHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccoc1C1CC1 ZINC000336969596 527109388 /nfs/dbraw/zinc/10/93/88/527109388.db2.gz BQBNJBIYUIQAAG-UHFFFAOYSA-N -1 0 322.704 3.677 20 5 DHBDRM O=C([O-])CCCCCCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000739666383 599922185 /nfs/dbraw/zinc/92/21/85/599922185.db2.gz NVIRFFKRMMIKIY-UHFFFAOYSA-N -1 0 323.374 3.652 20 5 DHBDRM O=C([O-])c1cc(Cl)ccc1OCc1cccc([N+](=O)[O-])c1 ZINC000013083414 600079985 /nfs/dbraw/zinc/07/99/85/600079985.db2.gz XGRBGTPTJVEWLI-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM CC(C)(C)SCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736288069 600126246 /nfs/dbraw/zinc/12/62/46/600126246.db2.gz VFIZPOSTZVLOBJ-ALCCZGGFSA-N -1 0 324.402 3.636 20 5 DHBDRM C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000013189733 600167109 /nfs/dbraw/zinc/16/71/09/600167109.db2.gz ISOVSKQCQIWDMX-OANVXVOSSA-N -1 0 312.325 3.866 20 5 DHBDRM O=C([O-])c1cccc(OCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000050442783 600204511 /nfs/dbraw/zinc/20/45/11/600204511.db2.gz GAWVBCATRFEOFT-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM Cc1cc(OCc2cccc([N+](=O)[O-])c2C)c(C(=O)[O-])s1 ZINC000070428749 600639153 /nfs/dbraw/zinc/63/91/53/600639153.db2.gz QOPCQIFDBOXUMZ-UHFFFAOYSA-N -1 0 307.327 3.550 20 5 DHBDRM O=C([O-])c1cc(Cl)cc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000740072381 600678081 /nfs/dbraw/zinc/67/80/81/600678081.db2.gz MTKGISNRGFINMO-UHFFFAOYSA-N -1 0 312.734 3.620 20 5 DHBDRM C[C@H](Nc1ccc(NC(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000827773157 600740275 /nfs/dbraw/zinc/74/02/75/600740275.db2.gz BALCGAUFUWWAJF-JTQLQIEISA-N -1 0 301.302 3.858 20 5 DHBDRM C[C@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC000736672454 600942162 /nfs/dbraw/zinc/94/21/62/600942162.db2.gz POKZPESNMRYWJG-QMMMGPOBSA-N -1 0 321.720 3.515 20 5 DHBDRM Cc1ccc(NCCc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000832952126 601200336 /nfs/dbraw/zinc/20/03/36/601200336.db2.gz RTNHAWGURRFPRE-UHFFFAOYSA-N -1 0 315.329 3.648 20 5 DHBDRM O=C([O-])Cc1cccc(Nc2ccc3ncccc3c2[N+](=O)[O-])c1 ZINC000738630226 602011903 /nfs/dbraw/zinc/01/19/03/602011903.db2.gz GCXQSDVXSDGUAX-UHFFFAOYSA-N -1 0 323.308 3.514 20 5 DHBDRM C[C@H](NC(=O)[O-])c1ccc(CNc2ccsc2[N+](=O)[O-])cc1 ZINC000825401948 604345824 /nfs/dbraw/zinc/34/58/24/604345824.db2.gz GMUUEIYIGJDTHD-VIFPVBQESA-N -1 0 321.358 3.597 20 5 DHBDRM Cc1sc(C(=O)[O-])cc1COc1cccc(C)c1[N+](=O)[O-] ZINC000122687434 604528245 /nfs/dbraw/zinc/52/82/45/604528245.db2.gz MMGOQMQLICTFNX-UHFFFAOYSA-N -1 0 307.327 3.550 20 5 DHBDRM O=C([O-])c1cnc(/C=C\c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000342225301 971517862 /nfs/dbraw/zinc/51/78/62/971517862.db2.gz NXICPVFISCZYNU-RQOWECAXSA-N -1 0 310.718 3.573 20 5 DHBDRM CSCCCCCNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000568985896 974681629 /nfs/dbraw/zinc/68/16/29/974681629.db2.gz DYYHNOJFOZKIMM-UHFFFAOYSA-N -1 0 312.391 3.547 20 5 DHBDRM C[C@@H](CN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC001592588479 978513256 /nfs/dbraw/zinc/51/32/56/978513256.db2.gz KDEADWCGRGERCK-LBPRGKRZSA-N -1 0 320.389 3.946 20 5 DHBDRM CC(F)(F)CCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000844216696 979379636 /nfs/dbraw/zinc/37/96/36/979379636.db2.gz UDKUMRYHQLYHHZ-GQCTYLIASA-N -1 0 314.288 3.540 20 5 DHBDRM CCCC[C@H](CCC)CNc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595632340 981853361 /nfs/dbraw/zinc/85/33/61/981853361.db2.gz FNGAWBIQHIRRBW-NSHDSACASA-N -1 0 309.366 3.706 20 5 DHBDRM CCCC[C@@H](SCc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595656068 982049712 /nfs/dbraw/zinc/04/97/12/982049712.db2.gz SVFYLSKJXMMGIA-GFCCVEGCSA-N -1 0 319.329 3.750 20 5 DHBDRM O=C([O-])/C=C\c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1 ZINC000920957505 982694599 /nfs/dbraw/zinc/69/45/99/982694599.db2.gz JJEDVGLDHIXWEB-CLFYSBASSA-N -1 0 301.323 3.844 20 5 DHBDRM C[C@@H](C(=O)[O-])c1cccc(Nc2c(F)cccc2[N+](=O)[O-])c1 ZINC001589539888 987238379 /nfs/dbraw/zinc/23/83/79/987238379.db2.gz MMEAFPFPZAHKKD-SECBINFHSA-N -1 0 304.277 3.666 20 5 DHBDRM C[C@H](C(=O)[O-])c1cccc(Nc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC001589540568 987245213 /nfs/dbraw/zinc/24/52/13/987245213.db2.gz ZIVGIKYAAKGOFA-QMMMGPOBSA-N -1 0 322.267 3.805 20 5 DHBDRM CC(C)[C@@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001591089335 991632707 /nfs/dbraw/zinc/63/27/07/991632707.db2.gz VQIDYWUSGJLQDD-DGCLKSJQSA-N -1 0 306.362 3.920 20 5 DHBDRM C[C@H](SCc1nc(C(=O)[O-])cs1)c1cccc([N+](=O)[O-])c1 ZINC001593662779 996043191 /nfs/dbraw/zinc/04/31/91/996043191.db2.gz FQVBTMCWBHAYFD-QMMMGPOBSA-N -1 0 324.383 3.744 20 5 DHBDRM C[C@@H]1CCC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@@H]1C ZINC001594348429 999320422 /nfs/dbraw/zinc/32/04/22/999320422.db2.gz MLSBNCMAOJKPAD-NQBHXWOUSA-N -1 0 306.362 3.777 20 5 DHBDRM CC[C@@H](C)C[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001147862346 1032349244 /nfs/dbraw/zinc/34/92/44/1032349244.db2.gz WJJXRDKSKOOSET-BDAKNGLRSA-N -1 0 314.769 3.508 20 5 DHBDRM Cc1ccc([N+](=O)[O-])cc1[C@@H](C)Sc1ncc(C)c(=O)[nH]1 ZINC000563441298 1017197502 /nfs/dbraw/zinc/19/75/02/1017197502.db2.gz ZXRUQMDSCAWGLV-SNVBAGLBSA-N -1 0 305.359 3.561 20 5 DHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc2ccccc2c1 ZINC000059354245 1017771159 /nfs/dbraw/zinc/77/11/59/1017771159.db2.gz ATQMYEKWWPTKSG-UHFFFAOYSA-N -1 0 308.293 3.706 20 5 DHBDRM Cc1ccc([N+](=O)[O-])c([N-]c2ccn([C@H](C)c3ccccc3)n2)n1 ZINC000765527529 1018874146 /nfs/dbraw/zinc/87/41/46/1018874146.db2.gz PKKRHPYWMLBXLW-CYBMUJFWSA-N -1 0 323.356 3.848 20 5 DHBDRM O=[N+]([O-])c1cccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)c1 ZINC000316049568 1019895613 /nfs/dbraw/zinc/89/56/13/1019895613.db2.gz NNLBDUAERLBQSS-UHFFFAOYSA-N -1 0 317.688 3.671 20 5 DHBDRM Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000734085820 1020558793 /nfs/dbraw/zinc/55/87/93/1020558793.db2.gz BHDBTWIRBQJKIQ-HIFRSBDPSA-N -1 0 314.341 3.724 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@H]1c1cccc(F)c1 ZINC000338927783 1021376412 /nfs/dbraw/zinc/37/64/12/1021376412.db2.gz CTDACNSLYWVXTA-INIZCTEOSA-N -1 0 316.332 3.777 20 5 DHBDRM O=C(CC/C=C/c1ccccc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183912965 1022541551 /nfs/dbraw/zinc/54/15/51/1022541551.db2.gz MLNQAIYMWKBWEB-XBXARRHUSA-N -1 0 312.325 3.733 20 5 DHBDRM CN(Cc1ccc(F)cc1Cl)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338982368 1022716612 /nfs/dbraw/zinc/71/66/12/1022716612.db2.gz XJDAASJFNHHTJY-UHFFFAOYSA-N -1 0 324.739 3.725 20 5 DHBDRM Cc1ccccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180784149 1022830982 /nfs/dbraw/zinc/83/09/82/1022830982.db2.gz VOKJHQNWLLBRGF-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C(O[C@H](C1CCCCC1)C(F)(F)F)c1ccc([N+](=O)[O-])[n-]1 ZINC000770221233 1023285439 /nfs/dbraw/zinc/28/54/39/1023285439.db2.gz ILOPSSWLTWRRBP-LLVKDONJSA-N -1 0 320.267 3.591 20 5 DHBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1cc2ccccc2o1 ZINC000786475042 1023694213 /nfs/dbraw/zinc/69/42/13/1023694213.db2.gz PSBNWUWPRANWJK-VIFPVBQESA-N -1 0 300.270 3.587 20 5 DHBDRM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc2[nH]ccc2c1 ZINC000788268822 1023869525 /nfs/dbraw/zinc/86/95/25/1023869525.db2.gz JIOBPXGXPVDKAS-UHFFFAOYSA-N -1 0 311.341 3.808 20 5 DHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@H](F)CC1CCCCC1 ZINC000793801302 1025165938 /nfs/dbraw/zinc/16/59/38/1025165938.db2.gz WERHYNXJMFKDFF-GFCCVEGCSA-N -1 0 310.325 3.547 20 5 DHBDRM CSc1cc(Cl)ccc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC001131051812 1026120296 /nfs/dbraw/zinc/12/02/96/1026120296.db2.gz PROIJAZOLNFABF-UHFFFAOYSA-N -1 0 312.734 3.815 20 5 DHBDRM CCCC[C@H](Sc1ccnc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC000565232865 1028561516 /nfs/dbraw/zinc/56/15/16/1028561516.db2.gz FVIKBCKEZQRHAA-ZDUSSCGKSA-N -1 0 320.370 3.879 20 5 DHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(NC2CCC(C(F)F)CC2)c1 ZINC000567985632 1028985228 /nfs/dbraw/zinc/98/52/28/1028985228.db2.gz FYDGALVUPHLFBU-UHFFFAOYSA-N -1 0 314.288 3.529 20 5 DHBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(-c3cccc(Cl)c3)no2)c1 ZINC000486056177 1029493866 /nfs/dbraw/zinc/49/38/66/1029493866.db2.gz DXZMFJHMEHMDPI-UHFFFAOYSA-N -1 0 317.688 3.671 20 5 DHBDRM CC[C@H](C)n1ncc([N-]c2nc3sccn3c2[N+](=O)[O-])c1C ZINC000357640646 1030135740 /nfs/dbraw/zinc/13/57/40/1030135740.db2.gz WLUHWYYYCRXSEB-QMMMGPOBSA-N -1 0 320.378 3.524 20 5 DHBDRM CC(C)c1ccc(N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000773369204 1033650815 /nfs/dbraw/zinc/65/08/15/1033650815.db2.gz CBCCEIVWMDSVPC-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM CCOc1cccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339068630 1034347156 /nfs/dbraw/zinc/34/71/56/1034347156.db2.gz LNZCGBHRJDKGRP-GFCCVEGCSA-N -1 0 316.357 3.550 20 5 DHBDRM COc1cccc(Cl)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504848 1034462042 /nfs/dbraw/zinc/46/20/42/1034462042.db2.gz HWZSYGZXHDXUPB-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM Cc1cccc(C)c1[C@@H](C)[NH2+]Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000555427992 1034698710 /nfs/dbraw/zinc/69/87/10/1034698710.db2.gz ZSPQQFWWASCOKM-CYBMUJFWSA-N -1 0 300.358 3.768 20 5 DHBDRM CCCc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)sc1C ZINC000483446656 1035269989 /nfs/dbraw/zinc/26/99/89/1035269989.db2.gz XWZCROWSDAOMCS-UHFFFAOYSA-N -1 0 320.370 3.875 20 5 DHBDRM Cc1cncc2cccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c12 ZINC001176681167 1035312708 /nfs/dbraw/zinc/31/27/08/1035312708.db2.gz XUMPVCKLNLJHQP-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM Cc1c(F)ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1F ZINC001176680419 1035313042 /nfs/dbraw/zinc/31/30/42/1035313042.db2.gz SLTKJTOFXRGPLI-UHFFFAOYSA-N -1 0 308.240 3.623 20 5 DHBDRM COc1ccc(Cl)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176678031 1035313101 /nfs/dbraw/zinc/31/31/01/1035313101.db2.gz IRLWIVHEOONVLC-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM O=C([O-])c1cc(Nc2cccc3ncccc32)cc([N+](=O)[O-])c1 ZINC001176678708 1035313120 /nfs/dbraw/zinc/31/31/20/1035313120.db2.gz YRRHBFZGUDLOHI-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(C3CCCCCC3)no2)c1 ZINC000904686495 1035441125 /nfs/dbraw/zinc/44/11/25/1035441125.db2.gz XGIMLEBYAKQRJP-UHFFFAOYSA-N -1 0 303.318 3.788 20 5 DHBDRM CC[C@@H]1Cc2ccccc2CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001193117514 1035568664 /nfs/dbraw/zinc/56/86/64/1035568664.db2.gz OVKCCFLUGLNFNH-MRXNPFEDSA-N -1 0 312.369 3.637 20 5 DHBDRM Cc1ccsc1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000914571778 1036115502 /nfs/dbraw/zinc/11/55/02/1036115502.db2.gz GHGGWZNBVXJGKG-HYXAFXHYSA-N -1 0 318.354 3.675 20 5 DHBDRM Cc1ccc(Cl)cc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776195141 1037781598 /nfs/dbraw/zinc/78/15/98/1037781598.db2.gz PGGDPNUILCCGER-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CC[C@H]1c2ccccc2CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001191038339 1038423526 /nfs/dbraw/zinc/42/35/26/1038423526.db2.gz IVBBAYUHARNUIR-KRWDZBQOSA-N -1 0 312.369 3.810 20 5 DHBDRM CC(C)[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000166074618 1038639064 /nfs/dbraw/zinc/63/90/64/1038639064.db2.gz GUZQEICFMOJLQV-INIZCTEOSA-N -1 0 314.341 3.679 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CNC1(c2ccccc2Cl)CC1 ZINC000592137145 1039141591 /nfs/dbraw/zinc/14/15/91/1039141591.db2.gz DVTXSELPOKYHKL-UHFFFAOYSA-N -1 0 318.760 3.733 20 5 DHBDRM CC(C)(CNc1cc[nH]c(=O)c1[N+](=O)[O-])c1ccccc1Cl ZINC000596110562 1040319945 /nfs/dbraw/zinc/31/99/45/1040319945.db2.gz PHRAKSJCJRQUEY-UHFFFAOYSA-N -1 0 321.764 3.739 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)c(F)c1 ZINC000519989838 331519964 /nfs/dbraw/zinc/51/99/64/331519964.db2.gz RKDHFNXAYCKBOX-DUXPYHPUSA-N -1 0 322.679 3.651 20 5 DHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@H]2c2ccsc2)c1 ZINC000569579413 332144285 /nfs/dbraw/zinc/14/42/85/332144285.db2.gz KRLBZLDVAVHSQW-LBPRGKRZSA-N -1 0 318.354 3.696 20 5 DHBDRM CC[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000559921682 332294163 /nfs/dbraw/zinc/29/41/63/332294163.db2.gz ALTBRXGOJMBEBW-GFCCVEGCSA-N -1 0 314.341 3.823 20 5 DHBDRM CC(C)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000427907001 332560563 /nfs/dbraw/zinc/56/05/63/332560563.db2.gz JRODCCLVBFPADD-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM Cc1csc([C@H](C)Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000563206995 333467956 /nfs/dbraw/zinc/46/79/56/333467956.db2.gz UDRVYGZQUWLEHC-VIFPVBQESA-N -1 0 321.358 3.539 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@H](CC(F)F)c1ccccc1 ZINC000421003615 337518755 /nfs/dbraw/zinc/51/87/55/337518755.db2.gz ZCRNDRDWGMJDBD-CQSZACIVSA-N -1 0 322.311 3.787 20 5 DHBDRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436741205 338285012 /nfs/dbraw/zinc/28/50/12/338285012.db2.gz SIDRXNYZXYOBBX-RYUDHWBXSA-N -1 0 320.389 3.587 20 5 DHBDRM CCCc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436860127 338290144 /nfs/dbraw/zinc/29/01/44/338290144.db2.gz DVEKETNLBCSWQK-UHFFFAOYSA-N -1 0 300.314 3.505 20 5 DHBDRM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(C)c1C ZINC000436955140 338295628 /nfs/dbraw/zinc/29/56/28/338295628.db2.gz ZHWJWWFEEFUEJI-UHFFFAOYSA-N -1 0 314.341 3.584 20 5 DHBDRM CC(C)CCC1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000436977179 338296473 /nfs/dbraw/zinc/29/64/73/338296473.db2.gz QQYURDOBXLINFA-UHFFFAOYSA-N -1 0 320.389 3.589 20 5 DHBDRM CCc1ccc(CC)c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000439096919 338360891 /nfs/dbraw/zinc/36/08/91/338360891.db2.gz XPYSIRLHQDMHSC-UHFFFAOYSA-N -1 0 314.341 3.678 20 5 DHBDRM Cc1ccc(/C=C\c2nc3cc(C(=O)[O-])ccc3o2)cc1[N+](=O)[O-] ZINC000439269661 338365493 /nfs/dbraw/zinc/36/54/93/338365493.db2.gz HAGNEBPCOQXFOD-DAXSKMNVSA-N -1 0 324.292 3.913 20 5 DHBDRM CSc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC000439275299 338365708 /nfs/dbraw/zinc/36/57/08/338365708.db2.gz QNVJPCBPOKHITP-DUXPYHPUSA-N -1 0 322.367 3.642 20 5 DHBDRM O=C([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cn2)c(Cl)c1 ZINC000542186998 340998942 /nfs/dbraw/zinc/99/89/42/340998942.db2.gz FDKAUPAXKXEWRL-ONEGZZNKSA-N -1 0 304.689 3.512 20 5 DHBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)C1CCCCC1 ZINC000552053992 341365557 /nfs/dbraw/zinc/36/55/57/341365557.db2.gz DYRFAJOHMMLSEJ-VXGBXAGGSA-N -1 0 320.389 3.635 20 5 DHBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(Cl)cc1F ZINC000092547116 341450138 /nfs/dbraw/zinc/45/01/38/341450138.db2.gz JUOPDTGJPOLTHP-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM Cc1cccc([N+](=O)[O-])c1NCCc1ccc(NC(=O)[O-])cc1 ZINC000738747568 600364673 /nfs/dbraw/zinc/36/46/73/600364673.db2.gz WUKXPQUFCVOTKX-UHFFFAOYSA-N -1 0 315.329 3.648 20 5 DHBDRM C[C@@H](CC(=O)[O-])Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000090098755 600624930 /nfs/dbraw/zinc/62/49/30/600624930.db2.gz JPNHTSVNDWPSCJ-LURJTMIESA-N -1 0 309.265 3.569 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCc2ccccc2)cc1Cl ZINC000740098737 600943059 /nfs/dbraw/zinc/94/30/59/600943059.db2.gz YIYVAONNTIRQGC-UHFFFAOYSA-N -1 0 320.732 3.601 20 5 DHBDRM O=C([O-])c1ccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000204617260 602161394 /nfs/dbraw/zinc/16/13/94/602161394.db2.gz FYRPGMQTPQYCFQ-UHFFFAOYSA-N -1 0 306.705 3.559 20 5 DHBDRM Cc1ccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000832934336 602314458 /nfs/dbraw/zinc/31/44/58/602314458.db2.gz ODFZSEMVQUINHK-UHFFFAOYSA-N -1 0 306.343 3.583 20 5 DHBDRM CS[C@@H]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573003858 602318643 /nfs/dbraw/zinc/31/86/43/602318643.db2.gz CRFODHJKHQSEJL-CMPLNLGQSA-N -1 0 324.402 3.688 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N[C@H]2CCC(F)(F)C2)cc1Cl ZINC000833307651 604273075 /nfs/dbraw/zinc/27/30/75/604273075.db2.gz PVKWQRORIVKWTD-LURJTMIESA-N -1 0 320.679 3.546 20 5 DHBDRM CC(C)(C)[C@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC000833423541 604633613 /nfs/dbraw/zinc/63/36/13/604633613.db2.gz CLZWCTPYGIZPLW-SNVBAGLBSA-N -1 0 320.267 3.525 20 5 DHBDRM C[C@@H]1C[C@H]1c1ccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1 ZINC000833603156 605178153 /nfs/dbraw/zinc/17/81/53/605178153.db2.gz TWWOANMBKCWHJP-BXKDBHETSA-N -1 0 316.313 3.622 20 5 DHBDRM O=C([O-])c1ccc(Cl)c(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000020879374 957147490 /nfs/dbraw/zinc/14/74/90/957147490.db2.gz MLOWPRMOGIFEPM-UHFFFAOYSA-N -1 0 306.705 3.559 20 5 DHBDRM Cc1c(CNc2cccc(CCC(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC001594261858 959698965 /nfs/dbraw/zinc/69/89/65/959698965.db2.gz KLWFSYJFYNMJTI-UHFFFAOYSA-N -1 0 314.341 3.533 20 5 DHBDRM O=C([O-])CCCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000236418504 960568605 /nfs/dbraw/zinc/56/86/05/960568605.db2.gz RPZSWLPWGYEKQI-UHFFFAOYSA-N -1 0 307.133 3.568 20 5 DHBDRM COc1ccc(C(C)=O)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC001210400820 1013833443 /nfs/dbraw/zinc/83/34/43/1013833443.db2.gz MIOGQARRLGXQPE-UHFFFAOYSA-N -1 0 316.313 3.564 20 5 DHBDRM CCCCC[C@@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(=O)[O-] ZINC001595686929 982176949 /nfs/dbraw/zinc/17/69/49/982176949.db2.gz JFHRBDVQPBJYTN-CYBMUJFWSA-N -1 0 317.345 3.588 20 5 DHBDRM C[C@@H]1CCCC[C@@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000920957560 982694885 /nfs/dbraw/zinc/69/48/85/982694885.db2.gz SCDMFHBJSWRVBS-UULDIIRDSA-N -1 0 304.346 3.683 20 5 DHBDRM CC1(C)C(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC001593830132 996572157 /nfs/dbraw/zinc/57/21/57/996572157.db2.gz BASWREUYLAAYGT-VURMDHGXSA-N -1 0 318.373 3.787 20 5 DHBDRM CC1(C)CCC(Sc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001593883569 996716907 /nfs/dbraw/zinc/71/69/07/996716907.db2.gz LGDDJCDRKQHMQP-UHFFFAOYSA-N -1 0 310.375 3.749 20 5 DHBDRM COc1cc([N+](=O)[O-])ccc1CSc1ccc(C(=O)[O-])cc1 ZINC001599461878 998286815 /nfs/dbraw/zinc/28/68/15/998286815.db2.gz HMALVRABLLFYQO-UHFFFAOYSA-N -1 0 319.338 3.594 20 5 DHBDRM C[C@H]1CC(C)(C)CC[C@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001594217063 998836466 /nfs/dbraw/zinc/83/64/66/998836466.db2.gz MMWCXNNOOHOLJJ-WCQYABFASA-N -1 0 320.389 3.849 20 5 DHBDRM C[C@@H]1CC[C@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC001594326282 999254686 /nfs/dbraw/zinc/25/46/86/999254686.db2.gz IWZVSGYEVDLJHA-QTHJJCOXSA-N -1 0 318.373 3.929 20 5 DHBDRM C[C@@H]1CCC[C@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1C ZINC001594348430 999320789 /nfs/dbraw/zinc/32/07/89/999320789.db2.gz MLSBNCMAOJKPAD-NTZNESFSSA-N -1 0 306.362 3.777 20 5 DHBDRM C[C@@H](c1c(F)cccc1F)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338926818 1016767255 /nfs/dbraw/zinc/76/72/55/1016767255.db2.gz WRZLHBIZKROUPP-JTQLQIEISA-N -1 0 322.311 3.772 20 5 DHBDRM CC[C@@H](Sc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000097824436 1012892203 /nfs/dbraw/zinc/89/22/03/1012892203.db2.gz CNXSZSGUGPSNPR-MRVPVSSYSA-N -1 0 309.265 3.569 20 5 DHBDRM Cc1c(C(=O)Nc2cccc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC000172110963 1018013349 /nfs/dbraw/zinc/01/33/49/1018013349.db2.gz VAJGJWFOYLAVDS-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM C[C@H](CCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000537767092 1032913495 /nfs/dbraw/zinc/91/34/95/1032913495.db2.gz CGWAETSTWZAANN-GFCCVEGCSA-N -1 0 314.341 3.823 20 5 DHBDRM Cc1ccccc1C(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000180767583 1021160034 /nfs/dbraw/zinc/16/00/34/1021160034.db2.gz PSQBQLKQSUBPNA-UHFFFAOYSA-N -1 0 314.341 3.525 20 5 DHBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416288132 1022237073 /nfs/dbraw/zinc/23/70/73/1022237073.db2.gz KPMHQVRGVSYWRE-UONOGXRCSA-N -1 0 320.389 3.587 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2noc(-c3cccc(Cl)c3[O-])n2)s1 ZINC000771225103 1023407259 /nfs/dbraw/zinc/40/72/59/1023407259.db2.gz RTVNISRTSGLGID-UHFFFAOYSA-N -1 0 323.717 3.732 20 5 DHBDRM O=C([O-])c1ccnc(/C=C/c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000789147167 1024005188 /nfs/dbraw/zinc/00/51/88/1024005188.db2.gz GJSNOYDESLZDDN-HNQUOIGGSA-N -1 0 304.689 3.512 20 5 DHBDRM Cc1c(NCc2ccc([N+](=O)[O-])cc2Cl)cccc1C(=O)[O-] ZINC000789898487 1024187127 /nfs/dbraw/zinc/18/71/27/1024187127.db2.gz VOZAYDMLEKDOMP-UHFFFAOYSA-N -1 0 320.732 3.867 20 5 DHBDRM CCC[C@@H](CC)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228862381 1024768787 /nfs/dbraw/zinc/76/87/87/1024768787.db2.gz NJVZHSHLRDGUMX-SSDOTTSWSA-N -1 0 308.256 3.672 20 5 DHBDRM CSc1cc(C)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC001299452276 1024939473 /nfs/dbraw/zinc/93/94/73/1024939473.db2.gz JOMCXOWEOKGDOJ-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM C[C@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000155966056 1029347547 /nfs/dbraw/zinc/34/75/47/1029347547.db2.gz PGCFYKYGIROPSQ-SNVBAGLBSA-N -1 0 318.304 3.572 20 5 DHBDRM CC(C)(NCc1cccc(O)c1Cl)c1ccccc1[N+](=O)[O-] ZINC000293083690 1031317678 /nfs/dbraw/zinc/31/76/78/1031317678.db2.gz WMIHKZHKMLMLSD-UHFFFAOYSA-N -1 0 320.776 3.979 20 5 DHBDRM CSc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(F)c1 ZINC001174505365 1034461351 /nfs/dbraw/zinc/46/13/51/1034461351.db2.gz CZRHYMYDURQWMR-UHFFFAOYSA-N -1 0 322.317 3.898 20 5 DHBDRM CC(C)c1cncc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174503533 1034462618 /nfs/dbraw/zinc/46/26/18/1034462618.db2.gz DYTJQEWWNFWIKC-UHFFFAOYSA-N -1 0 301.302 3.555 20 5 DHBDRM O=C([O-])c1ccc(Nc2cccc3cc(O)ccc32)cc1[N+](=O)[O-] ZINC001174505100 1034462655 /nfs/dbraw/zinc/46/26/55/1034462655.db2.gz OLLOBHCSHWGSLA-UHFFFAOYSA-N -1 0 324.292 3.895 20 5 DHBDRM Cn1ccc2c1cccc2Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174508400 1034465929 /nfs/dbraw/zinc/46/59/29/1034465929.db2.gz WRDRSXXYVONTRT-UHFFFAOYSA-N -1 0 311.297 3.528 20 5 DHBDRM CC(C)(C)Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)on1 ZINC001176671814 1035310699 /nfs/dbraw/zinc/31/06/99/1035310699.db2.gz DQABXJPVJBWCSZ-UHFFFAOYSA-N -1 0 319.317 3.613 20 5 DHBDRM O=C([O-])c1cc(Nc2csc3cnccc23)cc([N+](=O)[O-])c1 ZINC001176673484 1035311274 /nfs/dbraw/zinc/31/12/74/1035311274.db2.gz ZXHQGALHTPMINH-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM COc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)ccc1Cl ZINC001176680252 1035312778 /nfs/dbraw/zinc/31/27/78/1035312778.db2.gz ULNCQXWREWJVED-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM CC(=O)c1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1C ZINC001176679141 1035313036 /nfs/dbraw/zinc/31/30/36/1035313036.db2.gz FSQGVLWRWMXJMV-UHFFFAOYSA-N -1 0 314.297 3.548 20 5 DHBDRM Cc1cc(F)c(F)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680139 1035313163 /nfs/dbraw/zinc/31/31/63/1035313163.db2.gz PHIAHPMISPSGQG-UHFFFAOYSA-N -1 0 308.240 3.623 20 5 DHBDRM CC(C)(C)c1cncc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176678236 1035313253 /nfs/dbraw/zinc/31/32/53/1035313253.db2.gz MSPSAVQJRIBDOW-UHFFFAOYSA-N -1 0 315.329 3.729 20 5 DHBDRM CCc1ccc(-c2noc(-c3cc([O-])cc([N+](=O)[O-])c3)n2)cc1 ZINC000904577311 1035425576 /nfs/dbraw/zinc/42/55/76/1035425576.db2.gz WAQNGNGQTQOXPQ-UHFFFAOYSA-N -1 0 311.297 3.580 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC2(CCC2)c2ccccc21 ZINC001193355667 1035614049 /nfs/dbraw/zinc/61/40/49/1035614049.db2.gz WUYQEDOYYTVYKZ-UHFFFAOYSA-N -1 0 310.353 3.742 20 5 DHBDRM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1OC ZINC000763409037 1037824486 /nfs/dbraw/zinc/82/44/86/1037824486.db2.gz SDYICQYSFWJLIE-OAHLLOKOSA-N -1 0 316.357 3.550 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CSCCCC1CCOCC1 ZINC000593196977 1040488672 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DHBDRM CC(C)C[C@@H]1CCCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356630874 336556697 /nfs/dbraw/zinc/55/66/97/336556697.db2.gz HWEUIEDKJDNCCB-AWEZNQCLSA-N -1 0 320.389 3.731 20 5 DHBDRM O=C(N[C@@H]1CCCCC12CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000361198710 336743960 /nfs/dbraw/zinc/74/39/60/336743960.db2.gz GGHWDUKDDNPLCL-OAHLLOKOSA-N -1 0 318.373 3.533 20 5 DHBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000436748741 338285145 /nfs/dbraw/zinc/28/51/45/338285145.db2.gz UYWKPSQCAGDUGN-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436750128 338285438 /nfs/dbraw/zinc/28/54/38/338285438.db2.gz VQQJEYPALXUVAQ-NEPJUHHUSA-N -1 0 320.389 3.587 20 5 DHBDRM CC(C)C1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436954366 338295694 /nfs/dbraw/zinc/29/56/94/338295694.db2.gz WAAPVYAGRGRLAI-UHFFFAOYSA-N -1 0 320.389 3.587 20 5 DHBDRM O=C([O-])c1ccc2oc(/C=C\c3ccccc3[N+](=O)[O-])nc2c1 ZINC000439275148 338365713 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CCCCC[C@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000829346835 601383166 /nfs/dbraw/zinc/38/31/66/601383166.db2.gz DFZSPFFSONCQKB-AWEZNQCLSA-N -1 0 317.345 3.588 20 5 DHBDRM C[C@@H](CC(=O)[O-])C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000827348205 602281918 /nfs/dbraw/zinc/28/19/18/602281918.db2.gz AJJFWEQIODOINV-LBPRGKRZSA-N -1 0 323.348 3.542 20 5 DHBDRM O=C([O-])Nc1ccc(OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000833288699 602289185 /nfs/dbraw/zinc/28/91/85/602289185.db2.gz DIFPJNKSRVGDEQ-UHFFFAOYSA-N -1 0 322.704 3.917 20 5 DHBDRM CS[C@@H]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573003861 602318733 /nfs/dbraw/zinc/31/87/33/602318733.db2.gz CRFODHJKHQSEJL-ZYHUDNBSSA-N -1 0 324.402 3.688 20 5 DHBDRM CC1(C)CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000828068807 604263324 /nfs/dbraw/zinc/26/33/24/604263324.db2.gz FMTYSWSJPJZYAV-UHFFFAOYSA-N -1 0 312.753 3.573 20 5 DHBDRM O=C([O-])c1cccc(CSCc2ccc([N+](=O)[O-])cc2)c1 ZINC000058238654 957557103 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DHBDRM O=C([O-])[C@@H]1C[C@]12CCc1cc(-c3cccc([N+](=O)[O-])c3)ccc12 ZINC000569239683 1024509789 /nfs/dbraw/zinc/50/97/89/1024509789.db2.gz ZEHGZABCZABXMB-WMZOPIPTSA-N -1 0 309.321 3.550 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN(Cc1ccccc1F)C1CC1 ZINC000350032632 1024785582 /nfs/dbraw/zinc/78/55/82/1024785582.db2.gz CVJFMGKYBVNDFM-UHFFFAOYSA-N -1 0 316.332 3.604 20 5 DHBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)n1C(C)C ZINC000089540784 1026054632 /nfs/dbraw/zinc/05/46/32/1026054632.db2.gz CCBDTFQSVKUWHB-UHFFFAOYSA-N -1 0 317.345 3.552 20 5 DHBDRM O=C(Nc1csc2ccccc12)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356790725 1026171626 /nfs/dbraw/zinc/17/16/26/1026171626.db2.gz TYQSYBQGVHZYJG-UHFFFAOYSA-N -1 0 314.322 3.767 20 5 DHBDRM CCCC[C@H](Sc1cc([N+](=O)[O-])ccc1C(C)=O)C(=O)[O-] ZINC000575763569 1027498794 /nfs/dbraw/zinc/49/87/94/1027498794.db2.gz WBZFUQSQEOYDFS-LBPRGKRZSA-N -1 0 311.359 3.533 20 5 DHBDRM CC(C)(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC001135565895 1028865132 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DHBDRM CCOc1cccc(F)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174505819 1034463824 /nfs/dbraw/zinc/46/38/24/1034463824.db2.gz OZHIGCGIACFZOJ-UHFFFAOYSA-N -1 0 320.276 3.574 20 5 DHBDRM O=C([O-])c1cc(Nc2nccc3ccccc32)cc([N+](=O)[O-])c1 ZINC001176673030 1035311653 /nfs/dbraw/zinc/31/16/53/1035311653.db2.gz RKGMKODAIUUEOS-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM CC(C)c1ncsc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678733 1035313235 /nfs/dbraw/zinc/31/32/35/1035313235.db2.gz ZVTNWZOXLSIRMR-UHFFFAOYSA-N -1 0 307.331 3.617 20 5 DHBDRM CC[C@H]1Cc2ccccc2CN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC001193117513 1035568517 /nfs/dbraw/zinc/56/85/17/1035568517.db2.gz OVKCCFLUGLNFNH-INIZCTEOSA-N -1 0 312.369 3.637 20 5 DHBDRM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc(C)c1Cl ZINC000443188426 1035817508 /nfs/dbraw/zinc/81/75/08/1035817508.db2.gz GECLYWJZXFWENU-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM O=C([O-])/C=C/c1ccc(NCCC2CCCC2)c([N+](=O)[O-])c1 ZINC000913047021 1037711747 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Cc1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000543189539 435648619 /nfs/dbraw/zinc/64/86/19/435648619.db2.gz RTNILIAJWHJHNQ-VIFPVBQESA-N -1 0 321.768 3.863 20 5 DHBDRM O=C([O-])c1cc(NCC2CCC(F)(F)CC2)ccc1[N+](=O)[O-] ZINC000569609278 332200748 /nfs/dbraw/zinc/20/07/48/332200748.db2.gz WLQPLRAYCJTCOG-UHFFFAOYSA-N -1 0 314.288 3.530 20 5 DHBDRM CC(C)[C@H]1CCC[C@H](NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000560627725 332371691 /nfs/dbraw/zinc/37/16/91/332371691.db2.gz CYOFRFDSNHFTEQ-STQMWFEESA-N -1 0 320.389 3.635 20 5 DHBDRM CC(/C=C/c1cc(C(=O)[O-])ccn1)=C/c1cccc([N+](=O)[O-])c1 ZINC000569751231 332674778 /nfs/dbraw/zinc/67/47/78/332674778.db2.gz GJXCWZCEZYEGIX-FPONQXLSSA-N -1 0 310.309 3.805 20 5 DHBDRM Cc1cccc(C(C)C)c1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000182077731 333036855 /nfs/dbraw/zinc/03/68/55/333036855.db2.gz WURGKOUFAKOOFQ-UHFFFAOYSA-N -1 0 314.341 3.985 20 5 DHBDRM Cc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183327391 333055282 /nfs/dbraw/zinc/05/52/82/333055282.db2.gz JQMLMLHBIASCRH-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(C(F)F)cc1 ZINC000570950276 333164349 /nfs/dbraw/zinc/16/43/49/333164349.db2.gz YHGDQXMEDBOTCA-ZZXKWVIFSA-N -1 0 320.251 3.796 20 5 DHBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C(C)(C)C ZINC000416293951 334661382 /nfs/dbraw/zinc/66/13/82/334661382.db2.gz RGVMUZPULVOXLB-OLZOCXBDSA-N -1 0 320.389 3.587 20 5 DHBDRM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000344483904 335253032 /nfs/dbraw/zinc/25/30/32/335253032.db2.gz UMMMGQWRRPXKLN-OAHLLOKOSA-N -1 0 322.311 3.820 20 5 DHBDRM CC(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCCC1 ZINC000324210723 336111091 /nfs/dbraw/zinc/11/10/91/336111091.db2.gz SMXDMNYJGGTIFF-UHFFFAOYSA-N -1 0 320.389 3.731 20 5 DHBDRM Cc1ccc(Cl)cc1N(C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000563970311 336389032 /nfs/dbraw/zinc/38/90/32/336389032.db2.gz DGJXXMWVAXJABY-UHFFFAOYSA-N -1 0 320.732 3.539 20 5 DHBDRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000360687714 336718839 /nfs/dbraw/zinc/71/88/39/336718839.db2.gz GFGPIXVHDSHSRA-AAEUAGOBSA-N -1 0 320.389 3.587 20 5 DHBDRM CCSCC[C@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000582910059 337216444 /nfs/dbraw/zinc/21/64/44/337216444.db2.gz GQWVQLIMLWCWRN-JTQLQIEISA-N -1 0 312.391 3.545 20 5 DHBDRM CCC(CC)N(CC(C)C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436641189 338280998 /nfs/dbraw/zinc/28/09/98/338280998.db2.gz UQYZLOYDXNYBJM-UHFFFAOYSA-N -1 0 308.378 3.587 20 5 DHBDRM CC(C)CC[C@@H]1CCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436975088 338296392 /nfs/dbraw/zinc/29/63/92/338296392.db2.gz GNXFYWUHQKSMNX-AWEZNQCLSA-N -1 0 320.389 3.731 20 5 DHBDRM O=C([O-])c1ccc2oc(/C=C\c3csc([N+](=O)[O-])c3)nc2c1 ZINC000439272553 338365604 /nfs/dbraw/zinc/36/56/04/338365604.db2.gz KXLNPGQOKYXWDL-RJRFIUFISA-N -1 0 316.294 3.666 20 5 DHBDRM O=C([O-])c1cccc2oc(/C=C\c3ccc([N+](=O)[O-])cc3)nc21 ZINC000439274859 338365800 /nfs/dbraw/zinc/36/58/00/338365800.db2.gz MTNGIMCHCVBVEA-TWGQIWQCSA-N -1 0 310.265 3.605 20 5 DHBDRM CC(/C=C\c1ncc(C(=O)[O-])s1)=C/c1cccc([N+](=O)[O-])c1 ZINC000469094685 339280012 /nfs/dbraw/zinc/28/00/12/339280012.db2.gz VNHCXXJURYYSJB-ICZHLNMZSA-N -1 0 316.338 3.866 20 5 DHBDRM Cc1c(C(=O)Nc2cc(F)cc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC000474426317 339414005 /nfs/dbraw/zinc/41/40/05/339414005.db2.gz JKSAQBIRMVUNKW-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CCCCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000476913352 339482955 /nfs/dbraw/zinc/48/29/55/339482955.db2.gz ITKDQBURIYMXRC-UHFFFAOYSA-N -1 0 314.341 3.747 20 5 DHBDRM CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1=CCCCC1 ZINC000478912084 339524456 /nfs/dbraw/zinc/52/44/56/339524456.db2.gz PIEFXJNSMWGPOX-UHFFFAOYSA-N -1 0 318.373 3.557 20 5 DHBDRM CCCCc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000507971492 340236718 /nfs/dbraw/zinc/23/67/18/340236718.db2.gz SBMFQENZMQDRIU-UHFFFAOYSA-N -1 0 314.341 3.895 20 5 DHBDRM Cc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1 ZINC000539749469 340898767 /nfs/dbraw/zinc/89/87/67/340898767.db2.gz GSASCQZCMFZBGQ-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1CC ZINC000552410465 341392226 /nfs/dbraw/zinc/39/22/26/341392226.db2.gz BCSPWGIKOQZJOR-UHFFFAOYSA-N -1 0 314.341 3.678 20 5 DHBDRM O=C([O-])c1cc(Cl)cc(NCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000740071922 600678140 /nfs/dbraw/zinc/67/81/40/600678140.db2.gz HWTNJGVVGVQYFE-UHFFFAOYSA-N -1 0 324.695 3.698 20 5 DHBDRM CC(C)(C(=O)[O-])c1ccc(Nc2ccc(F)cc2[N+](=O)[O-])cc1 ZINC000826127144 600817524 /nfs/dbraw/zinc/81/75/24/600817524.db2.gz OMKGHEXXAVQMIC-UHFFFAOYSA-N -1 0 318.304 3.840 20 5 DHBDRM Cc1cc(N[C@H](C)c2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896859 602318098 /nfs/dbraw/zinc/31/80/98/602318098.db2.gz HAQVNGGGFNWKPP-LLVKDONJSA-N -1 0 300.314 3.775 20 5 DHBDRM CC[C@]1(C)CCN(c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000829050212 604272427 /nfs/dbraw/zinc/27/24/27/604272427.db2.gz NTBAHZKTJFQCKK-CQSZACIVSA-N -1 0 312.753 3.573 20 5 DHBDRM CC(C)(C)[C@@H](Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)C(=O)[O-] ZINC000833423539 604633615 /nfs/dbraw/zinc/63/36/15/604633615.db2.gz CLZWCTPYGIZPLW-JTQLQIEISA-N -1 0 320.267 3.525 20 5 DHBDRM O=C([O-])Cc1cccc(Nc2ccc([N+](=O)[O-])c3cccnc23)c1 ZINC001595138467 952069211 /nfs/dbraw/zinc/06/92/11/952069211.db2.gz OOICENBXNLWXNM-UHFFFAOYSA-N -1 0 323.308 3.514 20 5 DHBDRM Cc1cc(Oc2cc(C(=O)[O-])ccc2F)c(F)cc1[N+](=O)[O-] ZINC001594327984 958189900 /nfs/dbraw/zinc/18/99/00/958189900.db2.gz CDCVPUQPHVEFOX-UHFFFAOYSA-N -1 0 309.224 3.672 20 5 DHBDRM O=[N+]([O-])c1cc(Nc2ccc(-c3ccncn3)cc2)ccc1[O-] ZINC001210399315 1013833077 /nfs/dbraw/zinc/83/30/77/1013833077.db2.gz VTYGCAOLBILEMP-UHFFFAOYSA-N -1 0 308.297 3.501 20 5 DHBDRM C[C@@H](CCCC(F)(F)F)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000581014349 1014514785 /nfs/dbraw/zinc/51/47/85/1014514785.db2.gz UKGTUJUFSQVPAN-QMMMGPOBSA-N -1 0 320.267 3.826 20 5 DHBDRM CCCC(=CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CCC ZINC001595522231 981344569 /nfs/dbraw/zinc/34/45/69/981344569.db2.gz OJQPDZJNNGWCEX-UHFFFAOYSA-N -1 0 320.345 3.758 20 5 DHBDRM CCC[C@@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C(C)C ZINC001595537298 981386213 /nfs/dbraw/zinc/38/62/13/981386213.db2.gz JEKLNYDFMKRXEH-GFCCVEGCSA-N -1 0 322.361 3.612 20 5 DHBDRM CCC[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C(C)(C)C ZINC001595604288 981588628 /nfs/dbraw/zinc/58/86/28/981588628.db2.gz CRLQBLTXJDIJQA-LLVKDONJSA-N -1 0 309.366 3.623 20 5 DHBDRM CCCCC[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001595686830 982176959 /nfs/dbraw/zinc/17/69/59/982176959.db2.gz HYMWQIDOKBIPLS-NSHDSACASA-N -1 0 300.742 3.694 20 5 DHBDRM CCOc1ccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000610575374 1014852957 /nfs/dbraw/zinc/85/29/57/1014852957.db2.gz VLQIMJWPYYAHFZ-GFCCVEGCSA-N -1 0 316.357 3.550 20 5 DHBDRM CSCCCCCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001599799383 988151274 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Cc1cc(NC(C)(C)CCC(=O)[O-])c2cccc([N+](=O)[O-])c2n1 ZINC000263386479 1016333768 /nfs/dbraw/zinc/33/37/68/1016333768.db2.gz FAFBHRLUKOINEN-UHFFFAOYSA-N -1 0 317.345 3.507 20 5 DHBDRM C[C@H](c1ccc(F)cc1)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338890606 1016739147 /nfs/dbraw/zinc/73/91/47/1016739147.db2.gz UGYYPCVQICBCIX-LLVKDONJSA-N -1 0 304.321 3.633 20 5 DHBDRM O=C(N[C@@H]1CCCC12CCCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001147253994 1032290459 /nfs/dbraw/zinc/29/04/59/1032290459.db2.gz CVVSBDOYKCBHHB-OAHLLOKOSA-N -1 0 318.373 3.533 20 5 DHBDRM Cc1oc(C)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1C ZINC000612628294 1032297936 /nfs/dbraw/zinc/29/79/36/1032297936.db2.gz ZUIOMARVLBBVMR-UHFFFAOYSA-N -1 0 324.720 3.724 20 5 DHBDRM C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1 ZINC000089540991 1032695520 /nfs/dbraw/zinc/69/55/20/1032695520.db2.gz VJCJCYVCBJDYEE-SNVBAGLBSA-N -1 0 318.304 3.572 20 5 DHBDRM Cc1cc(C(=O)Nc2cccc(Cl)c2[O-])cc([N+](=O)[O-])c1 ZINC000172355421 1018037898 /nfs/dbraw/zinc/03/78/98/1018037898.db2.gz JTDRFXRZWOSFBP-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1coc2ccccc12 ZINC000255058757 1019259003 /nfs/dbraw/zinc/25/90/03/1019259003.db2.gz SCHFMBBBTAWCKW-WAYWQWQTSA-N -1 0 310.265 3.605 20 5 DHBDRM O=C(CC/C=C\c1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000255217274 1019344686 /nfs/dbraw/zinc/34/46/86/1019344686.db2.gz VNLMKSZWPNQZKV-YWEYNIOJSA-N -1 0 312.325 3.733 20 5 DHBDRM C[C@H]1c2ccc(F)cc2CCN1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000611273709 1019432453 /nfs/dbraw/zinc/43/24/53/1019432453.db2.gz WOIYVPMLAZTCQQ-NSHDSACASA-N -1 0 316.332 3.559 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)cc1 ZINC000315969144 1019889620 /nfs/dbraw/zinc/88/96/20/1019889620.db2.gz FDTQGHVGZFFLQX-UHFFFAOYSA-N -1 0 317.688 3.671 20 5 DHBDRM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC001167717564 1021723057 /nfs/dbraw/zinc/72/30/57/1021723057.db2.gz XFCLTBQXISNZPD-UHFFFAOYSA-N -1 0 306.749 3.980 20 5 DHBDRM O=C(/C=C/c1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000075284906 1021999225 /nfs/dbraw/zinc/99/92/25/1021999225.db2.gz NYMVVGMNGNKWJS-FPYGCLRLSA-N -1 0 318.716 3.606 20 5 DHBDRM CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416283299 1022233154 /nfs/dbraw/zinc/23/31/54/1022233154.db2.gz FGVWHVZSCXQMMM-QWHCGFSZSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1cc(C)c(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c(C)c1 ZINC000609336971 1022266164 /nfs/dbraw/zinc/26/61/64/1022266164.db2.gz QASRXPCRJLTWSM-PLNGDYQASA-N -1 0 312.325 3.784 20 5 DHBDRM Cc1cc([N+](=O)[O-])ccc1CNc1cc(C(=O)[O-])c(C)cc1C ZINC000789903481 1024188805 /nfs/dbraw/zinc/18/88/05/1024188805.db2.gz ZFTXESGAIZSXOX-UHFFFAOYSA-N -1 0 314.341 3.830 20 5 DHBDRM Cc1oc(C(C)C)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000354525138 1025449730 /nfs/dbraw/zinc/44/97/30/1025449730.db2.gz IZZSTXIMOJYQOJ-UHFFFAOYSA-N -1 0 304.302 3.578 20 5 DHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805257875 1025566962 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3.946 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2cc(Cl)ccc21 ZINC000864028372 1034265163 /nfs/dbraw/zinc/26/51/63/1034265163.db2.gz UHWSZNVTSMZFPU-UHFFFAOYSA-N -1 0 304.733 3.517 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000555378368 1034667701 /nfs/dbraw/zinc/66/77/01/1034667701.db2.gz QPRVRUIAMGZLRF-OAHLLOKOSA-N -1 0 318.760 3.901 20 5 DHBDRM CC(C)(C)c1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)sn1 ZINC001176672308 1035310158 /nfs/dbraw/zinc/31/01/58/1035310158.db2.gz JKOAMGNACJNMJG-UHFFFAOYSA-N -1 0 321.358 3.791 20 5 DHBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1cc(F)ccc1F ZINC000915211272 1036698637 /nfs/dbraw/zinc/69/86/37/1036698637.db2.gz QDVUITBKVCKSNX-QMMMGPOBSA-N -1 0 322.267 3.744 20 5 DHBDRM CC(C)(C)[C@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000032419566 1036821723 /nfs/dbraw/zinc/82/17/23/1036821723.db2.gz HDAOSVMWXXBPDL-STQMWFEESA-N -1 0 320.389 3.635 20 5 DHBDRM CCCCC1CCC(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000063109963 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CC(=O)c1ccc(Oc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001589297599 986045087 /nfs/dbraw/zinc/04/50/87/986045087.db2.gz GYDPEQUOVGGRIX-UHFFFAOYSA-N -1 0 315.281 3.596 20 5 DHBDRM CSCCCCNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599799233 988147769 /nfs/dbraw/zinc/14/77/69/988147769.db2.gz YXIDGLKWXHLOLW-UHFFFAOYSA-N -1 0 318.782 3.502 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccccc1C1CC1 ZINC000610572929 1015598815 /nfs/dbraw/zinc/59/88/15/1015598815.db2.gz JJVNVYDZXCXZKR-BQYQJAHWSA-N -1 0 310.309 3.736 20 5 DHBDRM CC(C)CC[C@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001591218182 992077890 /nfs/dbraw/zinc/07/78/90/992077890.db2.gz SUZHLDKSARNSPI-CRALRDPISA-N -1 0 306.362 3.929 20 5 DHBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)c1ccc(Cl)cc1[O-] ZINC000610664634 1015695198 /nfs/dbraw/zinc/69/51/98/1015695198.db2.gz ZJIHCHJSRVWHCK-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM CN(c1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC001598540566 992895944 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CCc1cc(C)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])o1 ZINC000181537111 1021236938 /nfs/dbraw/zinc/23/69/38/1021236938.db2.gz PLJFMXGCJXJJBF-UHFFFAOYSA-N -1 0 324.720 3.670 20 5 DHBDRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000194956924 1021826209 /nfs/dbraw/zinc/82/62/09/1021826209.db2.gz IXIIECFVSKDEGT-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1ccc([C@H](C)Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000920964404 1022195301 /nfs/dbraw/zinc/19/53/01/1022195301.db2.gz FSCAFYLBOHIRRK-BWNDKRECSA-N -1 0 316.313 3.767 20 5 DHBDRM O=C(Cc1cccc2ccccc21)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183899554 1022533996 /nfs/dbraw/zinc/53/39/96/1022533996.db2.gz CKCNVBSWXLUHTI-UHFFFAOYSA-N -1 0 322.320 3.635 20 5 DHBDRM O=C(/C=C\Sc1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770858377 1023352872 /nfs/dbraw/zinc/35/28/72/1023352872.db2.gz SUTCAPZGFRSJRJ-HJWRWDBZSA-N -1 0 316.338 3.545 20 5 DHBDRM CC[C@H](C)n1ncc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000790807927 1024370558 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DHBDRM Cc1cc(Cl)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1C ZINC000182308973 1026246768 /nfs/dbraw/zinc/24/67/68/1026246768.db2.gz NQIIKINOSMPDEI-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM C[C@H](OC(=O)c1ccc([O-])c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000729238002 1026399450 /nfs/dbraw/zinc/39/94/50/1026399450.db2.gz QDZCPIUZFDZEQO-VIFPVBQESA-N -1 0 321.716 3.872 20 5 DHBDRM CCC(F)(F)C(C)(C)CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000600678951 1027783247 /nfs/dbraw/zinc/78/32/47/1027783247.db2.gz QQYIOMUDIYTCID-UHFFFAOYSA-N -1 0 316.304 3.776 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC2(CCC2)[C@H]1c1ccco1 ZINC000449643837 1028874429 /nfs/dbraw/zinc/87/44/29/1028874429.db2.gz ZJSGZBCWCXCCMA-MRXNPFEDSA-N -1 0 314.341 3.621 20 5 DHBDRM O=C([O-])[C@H]1C[C@]12CCc1cc(-c3cccc([N+](=O)[O-])c3)ccc12 ZINC000569239674 1029202499 /nfs/dbraw/zinc/20/24/99/1029202499.db2.gz ZEHGZABCZABXMB-AEFFLSMTSA-N -1 0 309.321 3.550 20 5 DHBDRM CSCCCCCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000860735583 1033473892 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O=C([O-])c1cncc(Nc2cccc3nc4ccccc4nc32)c1 ZINC001175843414 1035130707 /nfs/dbraw/zinc/13/07/07/1035130707.db2.gz NEGIISPGWAIWJG-UHFFFAOYSA-N -1 0 316.320 3.620 20 5 DHBDRM O=C([O-])c1cncc(Nc2cc3cccnc3c3ncccc23)c1 ZINC001175842922 1035131111 /nfs/dbraw/zinc/13/11/11/1035131111.db2.gz VKLUCDVCNMSPIQ-UHFFFAOYSA-N -1 0 316.320 3.620 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc(Cl)cc2F)cc([N+](=O)[O-])c1 ZINC001176677332 1035311940 /nfs/dbraw/zinc/31/19/40/1035311940.db2.gz SOLDXAWLDABWPC-UHFFFAOYSA-N -1 0 310.668 3.829 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc3scnc3c2)cc([N+](=O)[O-])c1 ZINC001176677151 1035312297 /nfs/dbraw/zinc/31/22/97/1035312297.db2.gz OHMNRZCCEDJVQK-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM COc1cccc(Cl)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680549 1035312566 /nfs/dbraw/zinc/31/25/66/1035312566.db2.gz UUDHBCGMPYLERA-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Cl)cc1 ZINC001178646401 1035440468 /nfs/dbraw/zinc/44/04/68/1035440468.db2.gz 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C[C@H](CC(=O)[O-])NC(=O)c1c2ccccc2cc2ccccc21 ZINC001603127696 972221096 /nfs/dbraw/zinc/22/10/96/972221096.db2.gz SBAMHBYMFODPFF-GFCCVEGCSA-N -1 0 307.349 3.586 20 5 DHBDRM O=C([O-])c1ccc(Oc2ccc([N+](=O)[O-])cc2F)c(Cl)c1 ZINC000048803800 957461088 /nfs/dbraw/zinc/46/10/88/957461088.db2.gz FOWJSXXIMDYWPY-UHFFFAOYSA-N -1 0 311.652 3.878 20 5 DHBDRM C[C@@H](SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC001603284494 972521271 /nfs/dbraw/zinc/52/12/71/972521271.db2.gz YLXCEYDVZAZJAL-RXMQYKEDSA-N -1 0 310.158 3.608 20 5 DHBDRM Nc1ccc(Nc2cc(Cl)c(Cl)cc2O)cc1[N+](=O)[O-] ZINC001209935812 1013430272 /nfs/dbraw/zinc/43/02/72/1013430272.db2.gz QPDIJONZQIGTOL-UHFFFAOYSA-N -1 0 314.128 3.933 20 5 DHBDRM Cc1ccc(C(=O)[O-])cc1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000315359742 963888837 /nfs/dbraw/zinc/88/88/37/963888837.db2.gz DEGRMPHMFUUMFT-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM Cc1cc(Br)ncc1Nc1ccc(O)c([N+](=O)[O-])c1 ZINC001210393088 1013830685 /nfs/dbraw/zinc/83/06/85/1013830685.db2.gz 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323.717 3.732 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2noc(-c3cc(Cl)ccc3[O-])n2)s1 ZINC000445484657 1017877966 /nfs/dbraw/zinc/87/79/66/1017877966.db2.gz XYULXGUFIYRRTO-UHFFFAOYSA-N -1 0 323.717 3.732 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccc(Cl)s1 ZINC000254954112 1019206518 /nfs/dbraw/zinc/20/65/18/1019206518.db2.gz CWYQUNSSDICNRK-IWQZZHSRSA-N -1 0 310.718 3.573 20 5 DHBDRM O=C(OC1c2ccccc2-c2ccccc21)c1ccc([N+](=O)[O-])[n-]1 ZINC000917943157 1021395213 /nfs/dbraw/zinc/39/52/13/1021395213.db2.gz IDXGZHREFPMLOV-UHFFFAOYSA-N -1 0 320.304 3.850 20 5 DHBDRM O=C(OCc1csc([N+](=O)[O-])c1)c1cc(Cl)c(Cl)[nH]1 ZINC000919046550 1021704545 /nfs/dbraw/zinc/70/45/45/1021704545.db2.gz LFUCSIXILWLAMX-UHFFFAOYSA-N -1 0 321.141 3.648 20 5 DHBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(F)c(Cl)c1 ZINC000920164489 1022067701 /nfs/dbraw/zinc/06/77/01/1022067701.db2.gz WHEKIZZDKMLBIB-ZETCQYMHSA-N -1 0 312.684 3.633 20 5 DHBDRM O=C([O-])/C=C\c1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000920957450 1022195131 /nfs/dbraw/zinc/19/51/31/1022195131.db2.gz CMANDVJLNGGDOY-CLFYSBASSA-N -1 0 304.346 3.685 20 5 DHBDRM CC(C)(C)c1cc2c([n-]c(-c3ccc([N+](=O)[O-])o3)nc2=O)s1 ZINC000416412320 1022314932 /nfs/dbraw/zinc/31/49/32/1022314932.db2.gz MKTOOLVPOHSAJP-UHFFFAOYSA-N -1 0 319.342 3.863 20 5 DHBDRM CCc1ccc(C(=O)[O-])cc1NCc1ccc([N+](=O)[O-])cc1C ZINC000789903016 1024189550 /nfs/dbraw/zinc/18/95/50/1024189550.db2.gz SXLJUCYNMZUHOS-UHFFFAOYSA-N -1 0 314.341 3.776 20 5 DHBDRM CN(Cc1ccc(F)c(Cl)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339127855 1024571798 /nfs/dbraw/zinc/57/17/98/1024571798.db2.gz ZWTSINXLCHBGFL-UHFFFAOYSA-N -1 0 324.739 3.725 20 5 DHBDRM c1n[nH]nc1-c1nc(-c2cc3ccccc3c3ccccc23)no1 ZINC001212800270 1025127892 /nfs/dbraw/zinc/12/78/92/1025127892.db2.gz ZSEUTBNYFYLKKA-UHFFFAOYSA-N -1 0 313.320 3.828 20 5 DHBDRM CC(C)c1[nH]ccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000354540907 1025452902 /nfs/dbraw/zinc/45/29/02/1025452902.db2.gz OACITKVYMTZERU-UHFFFAOYSA-N -1 0 323.736 3.658 20 5 DHBDRM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356804862 1026177156 /nfs/dbraw/zinc/17/71/56/1026177156.db2.gz PHCYJJTTWTWXQJ-UHFFFAOYSA-N -1 0 323.308 3.548 20 5 DHBDRM Cc1cccc(C(C)C)c1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356941500 1026235399 /nfs/dbraw/zinc/23/53/99/1026235399.db2.gz YXNROSKGSFRBGF-UHFFFAOYSA-N -1 0 314.341 3.985 20 5 DHBDRM Cc1c(Cl)cccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163967736 1027095610 /nfs/dbraw/zinc/09/56/10/1027095610.db2.gz BEQXAKZMFKVHQV-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c([O-])c1 ZINC001135312814 1028686191 /nfs/dbraw/zinc/68/61/91/1028686191.db2.gz SNNVFNZUIDSLPO-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM O=C([O-])c1cc(N[C@@H](c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000557808771 1030301381 /nfs/dbraw/zinc/30/13/81/1030301381.db2.gz PLTPEVPGDLRUKF-INIZCTEOSA-N -1 0 312.325 3.856 20 5 DHBDRM CN(C(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc2ccccc2c1 ZINC000794964177 1030461791 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CC(=O)c1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1C ZINC001174505391 1034461916 /nfs/dbraw/zinc/46/19/16/1034461916.db2.gz FHKAEIUFXPZBHT-UHFFFAOYSA-N -1 0 314.297 3.548 20 5 DHBDRM Cc1ccc2cc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)ccc2n1 ZINC001174505409 1034461966 /nfs/dbraw/zinc/46/19/66/1034461966.db2.gz VVQHPKLYOUQJEH-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM CC(C)(C)c1cncc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174504135 1034462367 /nfs/dbraw/zinc/46/23/67/1034462367.db2.gz GMGBNVJHJOSMQS-UHFFFAOYSA-N -1 0 315.329 3.729 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1 ZINC001176677114 1035312243 /nfs/dbraw/zinc/31/22/43/1035312243.db2.gz MPPHHGHWPDEZKD-UHFFFAOYSA-N -1 0 310.668 3.829 20 5 DHBDRM Cn1ccc2ccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc21 ZINC001176681214 1035312559 /nfs/dbraw/zinc/31/25/59/1035312559.db2.gz YKPUTNWVPUQMSP-UHFFFAOYSA-N -1 0 311.297 3.528 20 5 DHBDRM COc1ccc(Cl)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678719 1035312812 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/nfs/dbraw/zinc/68/95/03/333689503.db2.gz ZPUGYYKGPVYWPV-MWLCHTKSSA-N -1 0 303.318 3.644 20 5 DHBDRM CC1(C)CC(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000324223716 336112693 /nfs/dbraw/zinc/11/26/93/336112693.db2.gz VWIDMPCOIIMLJF-UHFFFAOYSA-N -1 0 320.389 3.635 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cccc(Cl)c1F ZINC000469981600 337205348 /nfs/dbraw/zinc/20/53/48/337205348.db2.gz KRBKKBLXLTZDNA-SNAWJCMRSA-N -1 0 322.679 3.651 20 5 DHBDRM Cc1cc(NCC(C)(C)C(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583027425 337230549 /nfs/dbraw/zinc/23/05/49/337230549.db2.gz NRBRAWOSNIVLIN-UHFFFAOYSA-N -1 0 320.267 3.602 20 5 DHBDRM CSc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1C ZINC000436625940 338280408 /nfs/dbraw/zinc/28/04/08/338280408.db2.gz GHANSKYMBNGEHK-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM COc1cc(-c2nc3c(cccc3Cl)[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000436743915 338285224 /nfs/dbraw/zinc/28/52/24/338285224.db2.gz ZHLRHUCBHQXHGX-UHFFFAOYSA-N -1 0 319.704 3.506 20 5 DHBDRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436750130 338285481 /nfs/dbraw/zinc/28/54/81/338285481.db2.gz VQQJEYPALXUVAQ-RYUDHWBXSA-N -1 0 320.389 3.587 20 5 DHBDRM CC(C)c1ccccc1N(C)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436779390 338286913 /nfs/dbraw/zinc/28/69/13/338286913.db2.gz KMUIDULJYHWOTR-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM CC(C)CC1(C)CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000436922740 338293673 /nfs/dbraw/zinc/29/36/73/338293673.db2.gz PKOAGBRQDRDASL-UHFFFAOYSA-N -1 0 320.389 3.589 20 5 DHBDRM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436999065 338297408 /nfs/dbraw/zinc/29/74/08/338297408.db2.gz IPEDEPAKRAVSBQ-LBPRGKRZSA-N -1 0 320.389 3.589 20 5 DHBDRM O=C([O-])c1ccc2nc(/C=C\c3ccc([N+](=O)[O-])cc3)oc2c1 ZINC000439273522 338365624 /nfs/dbraw/zinc/36/56/24/338365624.db2.gz IDQQVQLIBLLAST-BAQGIRSFSA-N -1 0 310.265 3.605 20 5 DHBDRM CCCc1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000160008545 338539033 /nfs/dbraw/zinc/53/90/33/338539033.db2.gz BCJKHRJVKAGQKV-UHFFFAOYSA-N -1 0 300.314 3.505 20 5 DHBDRM CCn1c2ccc(Cl)cc2nc1-c1ccc([N+](=O)[O-])c([O-])c1 ZINC000498547335 339790018 /nfs/dbraw/zinc/79/00/18/339790018.db2.gz FSKNEFIQTFRJFG-UHFFFAOYSA-N -1 0 317.732 3.990 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc3c(cccc3F)n2C2CC2)cc1[O-] ZINC000498547334 339790060 /nfs/dbraw/zinc/79/00/60/339790060.db2.gz FQPLFTDEAIDAAQ-UHFFFAOYSA-N -1 0 313.288 3.791 20 5 DHBDRM C[C@@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC000738217189 600167447 /nfs/dbraw/zinc/16/74/47/600167447.db2.gz ISOVSKQCQIWDMX-VPUINMBXSA-N -1 0 312.325 3.866 20 5 DHBDRM C[C@@H](Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000827768227 600751656 /nfs/dbraw/zinc/75/16/56/600751656.db2.gz PLACXZYNURQZAZ-LLVKDONJSA-N -1 0 315.329 3.536 20 5 DHBDRM O=C([O-])c1cccc(OCc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000093631670 600863626 /nfs/dbraw/zinc/86/36/26/600863626.db2.gz MIIWOKJCUARMIK-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM CC(C)(C(=O)[O-])c1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000826127458 601301574 /nfs/dbraw/zinc/30/15/74/601301574.db2.gz VJRQVWMALKBHAC-UHFFFAOYSA-N -1 0 314.341 3.569 20 5 DHBDRM Cc1sc(C(=O)[O-])cc1COc1cccc([N+](=O)[O-])c1C ZINC000122687153 601674634 /nfs/dbraw/zinc/67/46/34/601674634.db2.gz QQLUZOHOUWRTQR-UHFFFAOYSA-N -1 0 307.327 3.550 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N[C@@H]2CCC(F)(F)C2)cc1Cl ZINC000833307653 604273037 /nfs/dbraw/zinc/27/30/37/604273037.db2.gz PVKWQRORIVKWTD-ZCFIWIBFSA-N -1 0 320.679 3.546 20 5 DHBDRM O=C([O-])CCCCCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000021053617 957147678 /nfs/dbraw/zinc/14/76/78/957147678.db2.gz RZEIUBCDAXKJQW-UHFFFAOYSA-N -1 0 300.742 3.695 20 5 DHBDRM C[C@@H]1C[C@H]1c1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1 ZINC000518192462 1013152665 /nfs/dbraw/zinc/15/26/65/1013152665.db2.gz KKIPMLAMAXRYIR-BXKDBHETSA-N -1 0 316.313 3.622 20 5 DHBDRM O=C([O-])c1ccc(CNc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000087846557 958034596 /nfs/dbraw/zinc/03/45/96/958034596.db2.gz DSVHYRHZPQNYKD-UHFFFAOYSA-N -1 0 306.705 3.559 20 5 DHBDRM CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccccc1 ZINC000018135664 1013314022 /nfs/dbraw/zinc/31/40/22/1013314022.db2.gz OCRXIVDULOHJBD-CQSZACIVSA-N -1 0 314.341 3.572 20 5 DHBDRM C[C@@H](CC(=O)[O-])SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001592422404 978036029 /nfs/dbraw/zinc/03/60/29/978036029.db2.gz OIRQYRCQRMWFEP-LURJTMIESA-N -1 0 324.185 3.998 20 5 DHBDRM CC(C)[C@@H]1CCC[C@@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001591089005 991627954 /nfs/dbraw/zinc/62/79/54/991627954.db2.gz OPNUMTQXXGAYGC-VXGBXAGGSA-N -1 0 321.377 3.705 20 5 DHBDRM CC1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCCCC1 ZINC001594031674 997607113 /nfs/dbraw/zinc/60/71/13/997607113.db2.gz COCFSNZKKCITPD-UHFFFAOYSA-N -1 0 306.362 3.604 20 5 DHBDRM C[C@@H]1CC(C)(C)CN1c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001594216321 998831654 /nfs/dbraw/zinc/83/16/54/998831654.db2.gz DVGLIIATFAJQHQ-MRVPVSSYSA-N -1 0 312.753 3.571 20 5 DHBDRM C[C@@H]1CCC[C@@H](CCOc2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594346759 999313849 /nfs/dbraw/zinc/31/38/49/999313849.db2.gz RQGMGOQNPPLVAQ-NEPJUHHUSA-N -1 0 307.346 3.888 20 5 DHBDRM C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001594389567 999476332 /nfs/dbraw/zinc/47/63/32/999476332.db2.gz RKLHWQADXCGWLS-SECBINFHSA-N -1 0 312.753 3.573 20 5 DHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(C2CCC2)cc1 ZINC000478877482 1016800289 /nfs/dbraw/zinc/80/02/89/1016800289.db2.gz ALQGLAGLGVDDOA-UHFFFAOYSA-N -1 0 312.325 3.820 20 5 DHBDRM C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1 ZINC000089540988 1032695414 /nfs/dbraw/zinc/69/54/14/1032695414.db2.gz VJCJCYVCBJDYEE-JTQLQIEISA-N -1 0 318.304 3.572 20 5 DHBDRM CN(Cc1ccc(Cl)s1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338883661 1020298616 /nfs/dbraw/zinc/29/86/16/1020298616.db2.gz KSARCSIGWAAOFL-UHFFFAOYSA-N -1 0 312.778 3.647 20 5 DHBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000745492264 1021721959 /nfs/dbraw/zinc/72/19/59/1021721959.db2.gz WIWWLYZFLNUTKG-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1ccc([C@@H](C)Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000920964411 1022196090 /nfs/dbraw/zinc/19/60/90/1022196090.db2.gz FSCAFYLBOHIRRK-UIJKISKDSA-N -1 0 316.313 3.767 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN(Cc1ccccc1)CC(F)F ZINC000093735704 1023844739 /nfs/dbraw/zinc/84/47/39/1023844739.db2.gz KTISNTSUZSOOLR-UHFFFAOYSA-N -1 0 322.311 3.568 20 5 DHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)[C@@H](F)CC1CCCCC1 ZINC000793801304 1025167057 /nfs/dbraw/zinc/16/70/57/1025167057.db2.gz WERHYNXJMFKDFF-LBPRGKRZSA-N -1 0 310.325 3.547 20 5 DHBDRM Cc1c(C(=O)Nc2cc(Cl)c([O-])cc2F)cccc1[N+](=O)[O-] ZINC000805257200 1025569090 /nfs/dbraw/zinc/56/90/90/1025569090.db2.gz TZPKPVAMGSHPLH-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CC(C)(C)c1ccc(-c2cnc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000565236456 1028563281 /nfs/dbraw/zinc/56/32/81/1028563281.db2.gz NHROOTQSXNQEJN-UHFFFAOYSA-N -1 0 300.314 3.653 20 5 DHBDRM CCCCc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC001135490012 1028795076 /nfs/dbraw/zinc/79/50/76/1028795076.db2.gz SPJNZFFTYLICIU-UHFFFAOYSA-N -1 0 314.341 3.895 20 5 DHBDRM CC[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccc(C)cc1 ZINC000844206960 1031003167 /nfs/dbraw/zinc/00/31/67/1031003167.db2.gz QYFJQWSSWBMAQJ-ZDUSSCGKSA-N -1 0 315.329 3.560 20 5 DHBDRM CCCc1ccccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000537192650 1031525790 /nfs/dbraw/zinc/52/57/90/1031525790.db2.gz RELHSNDXLOMZMO-UHFFFAOYSA-N -1 0 300.314 3.505 20 5 DHBDRM CC(C)(C)Cc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)on1 ZINC001174502682 1034462578 /nfs/dbraw/zinc/46/25/78/1034462578.db2.gz XYRIVXTVKDJMHO-UHFFFAOYSA-N -1 0 319.317 3.613 20 5 DHBDRM CC[C@@H](CC1CCCC1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483439478 1035271412 /nfs/dbraw/zinc/27/14/12/1035271412.db2.gz KUBAGFSJOXYWHC-LBPRGKRZSA-N -1 0 306.362 3.845 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc3ncsc3c2)cc([N+](=O)[O-])c1 ZINC001176678350 1035312616 /nfs/dbraw/zinc/31/26/16/1035312616.db2.gz OFHJVBVKRXBLOV-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM Cc1ccnc2cc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc12 ZINC001176680105 1035313107 /nfs/dbraw/zinc/31/31/07/1035313107.db2.gz PSKRUCOLMIJVRP-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM CCC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC000609114523 1036099928 /nfs/dbraw/zinc/09/99/28/1036099928.db2.gz LETMOJFFEWFUAZ-AWEZNQCLSA-N -1 0 320.389 3.779 20 5 DHBDRM Cc1c(COC(=O)c2ccc([O-])c(Cl)c2)cccc1[N+](=O)[O-] ZINC000762829865 1036959702 /nfs/dbraw/zinc/95/97/02/1036959702.db2.gz KKZYLNKYQLTQMT-UHFFFAOYSA-N -1 0 321.716 3.619 20 5 DHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc2ccsc21 ZINC000776203581 1037837824 /nfs/dbraw/zinc/83/78/24/1037837824.db2.gz BYSDAVCASYBAPP-UHFFFAOYSA-N -1 0 314.322 3.767 20 5 DHBDRM O=C(c1cc(Cl)cc([N+](=O)[O-])c1[O-])N1C2CCCC1CCC2 ZINC000592767267 1039853438 /nfs/dbraw/zinc/85/34/38/1039853438.db2.gz SAVXXYVYTKFEHG-UHFFFAOYSA-N -1 0 324.764 3.501 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CSCc1noc2c1CCCC2 ZINC000593188817 1040481964 /nfs/dbraw/zinc/48/19/64/1040481964.db2.gz QRKYBOSXDOMUSP-UHFFFAOYSA-N -1 0 320.370 3.601 20 5 DHBDRM CC(C)[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000534068405 1040702648 /nfs/dbraw/zinc/70/26/48/1040702648.db2.gz IUMDCFRXCQSLTP-INIZCTEOSA-N -1 0 314.341 3.679 20 5 DHBDRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000020312463 182205895 /nfs/dbraw/zinc/20/58/95/182205895.db2.gz CZIJPOFIHBKBFP-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM Cc1oc(C(C)C)cc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000286238493 131225418 /nfs/dbraw/zinc/22/54/18/131225418.db2.gz YRZAZAIIGMTXFM-UHFFFAOYSA-N -1 0 304.302 3.578 20 5 DHBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])Cc1c(F)cccc1Cl ZINC000340292243 131334888 /nfs/dbraw/zinc/33/48/88/131334888.db2.gz SULCVPGINGPNED-UHFFFAOYSA-N -1 0 324.739 3.725 20 5 DHBDRM Cc1ccc(NCc2ccc([N+](=O)[O-])cc2C)cc1C(=O)[O-] ZINC000340670859 132140356 /nfs/dbraw/zinc/14/03/56/132140356.db2.gz DNBADKMPPJCXMB-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM CC[C@@H](C)n1nc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cc1C ZINC000539396591 435549892 /nfs/dbraw/zinc/54/98/92/435549892.db2.gz IAMVCWCZVDPMJX-MRVPVSSYSA-N -1 0 309.757 3.863 20 5 DHBDRM CCCC[C@@H](Sc1ccc(C(C)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000571582563 333817565 /nfs/dbraw/zinc/81/75/65/333817565.db2.gz UDYDPFYICCLNPL-CYBMUJFWSA-N -1 0 311.359 3.533 20 5 DHBDRM CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1cccc(C)c1C ZINC000436965681 334022856 /nfs/dbraw/zinc/02/28/56/334022856.db2.gz LPJZWSCPXYMEPV-UHFFFAOYSA-N -1 0 314.341 3.584 20 5 DHBDRM Cc1cc(NCCCCCC(=O)[O-])c2cccc([N+](=O)[O-])c2n1 ZINC000416425971 334667330 /nfs/dbraw/zinc/66/73/30/334667330.db2.gz KJCNQAXEFKNLLT-UHFFFAOYSA-N -1 0 317.345 3.508 20 5 DHBDRM CC(F)(F)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000343884473 335199853 /nfs/dbraw/zinc/19/98/53/335199853.db2.gz XLBBKQSULTWPSZ-UHFFFAOYSA-N -1 0 322.267 3.664 20 5 DHBDRM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000344462999 335250743 /nfs/dbraw/zinc/25/07/43/335250743.db2.gz POHWTDRBFJIMEQ-HNNXBMFYSA-N -1 0 322.311 3.820 20 5 DHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2ccccc2)[nH]1 ZINC000356291368 336544456 /nfs/dbraw/zinc/54/44/56/336544456.db2.gz HVXLGGRECJJJLY-UHFFFAOYSA-N -1 0 323.308 3.548 20 5 DHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1c[nH]cc1-c1ccccc1 ZINC000356292989 336544594 /nfs/dbraw/zinc/54/45/94/336544594.db2.gz KURLVXZVNIABOR-UHFFFAOYSA-N -1 0 323.308 3.548 20 5 DHBDRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000360687715 336718833 /nfs/dbraw/zinc/71/88/33/336718833.db2.gz GFGPIXVHDSHSRA-DGCLKSJQSA-N -1 0 320.389 3.587 20 5 DHBDRM O=C([O-])c1cc(N2CCC[C@@H]2c2ccsc2)ccc1[N+](=O)[O-] ZINC000582609932 337113483 /nfs/dbraw/zinc/11/34/83/337113483.db2.gz QNHJLIDBDAYOIX-CYBMUJFWSA-N -1 0 318.354 3.696 20 5 DHBDRM O=C([O-])c1cc(N2CCC[C@H]2c2ccsc2)ccc1[N+](=O)[O-] ZINC000582609934 337113490 /nfs/dbraw/zinc/11/34/90/337113490.db2.gz QNHJLIDBDAYOIX-ZDUSSCGKSA-N -1 0 318.354 3.696 20 5 DHBDRM Cc1ccc(Cl)cc1N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436709451 338283640 /nfs/dbraw/zinc/28/36/40/338283640.db2.gz XOFAMFWPWKAELI-UHFFFAOYSA-N -1 0 320.732 3.539 20 5 DHBDRM O=[N+]([O-])c1cc(-c2nc3ccc(F)cc3n2C2CC2)ccc1[O-] ZINC000436743509 338285181 /nfs/dbraw/zinc/28/51/81/338285181.db2.gz XNOUIDMBUVFBJU-UHFFFAOYSA-N -1 0 313.288 3.791 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/C=C\c1ccc(F)cc1 ZINC000439149940 338362654 /nfs/dbraw/zinc/36/26/54/338362654.db2.gz FJYKIVPVEDQIJW-HSFFGMMNSA-N -1 0 314.272 3.554 20 5 DHBDRM O=C([O-])c1ccc2nc(/C=C\c3csc([N+](=O)[O-])c3)oc2c1 ZINC000439266715 338365374 /nfs/dbraw/zinc/36/53/74/338365374.db2.gz BLOBYCXDXMXOHV-RJRFIUFISA-N -1 0 316.294 3.666 20 5 DHBDRM O=C([O-])c1ccc2oc(/C=C/c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000439266705 338365405 /nfs/dbraw/zinc/36/54/05/338365405.db2.gz BWVWZUNWZHCQRH-QPJJXVBHSA-N -1 0 310.265 3.605 20 5 DHBDRM O=C([O-])c1ccc2oc(/C=C/c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC000439272011 338365663 /nfs/dbraw/zinc/36/56/63/338365663.db2.gz JWLYBZQPAUYNEY-FPYGCLRLSA-N -1 0 310.265 3.605 20 5 DHBDRM O=C(Nc1cccc(C2CCC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000462729720 339085207 /nfs/dbraw/zinc/08/52/07/339085207.db2.gz RXHCYXIJMWHKJY-UHFFFAOYSA-N -1 0 312.325 3.820 20 5 DHBDRM C[C@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)C1CCCCC1 ZINC000552053989 341365458 /nfs/dbraw/zinc/36/54/58/341365458.db2.gz DYRFAJOHMMLSEJ-NEPJUHHUSA-N -1 0 320.389 3.635 20 5 DHBDRM CC(C)CCC1CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000354097305 517411249 /nfs/dbraw/zinc/41/12/49/517411249.db2.gz OZYOWMGSYVWYRB-UHFFFAOYSA-N -1 0 320.389 3.589 20 5 DHBDRM CC(C)Cn1ncc([N-]c2ncc([N+](=O)[O-])s2)c1C(F)F ZINC000336959292 519537439 /nfs/dbraw/zinc/53/74/39/519537439.db2.gz AZQCATSXXZIQSR-UHFFFAOYSA-N -1 0 317.321 3.585 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc([C@H]3C[C@@H]3c3ccccc3)no2)cc1[O-] ZINC000338063158 527343224 /nfs/dbraw/zinc/34/32/24/527343224.db2.gz AXDYFGNIYUKAEA-OLZOCXBDSA-N -1 0 323.308 3.622 20 5 DHBDRM O=C([O-])c1cc(Cl)ccc1OCc1ccccc1[N+](=O)[O-] ZINC000013083661 600080117 /nfs/dbraw/zinc/08/01/17/600080117.db2.gz YJASCQOYOHRBCW-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM O=C([O-])c1cccnc1SCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000093631677 600987156 /nfs/dbraw/zinc/98/71/56/600987156.db2.gz QPIVGKCSILVJBC-UHFFFAOYSA-N -1 0 324.745 3.634 20 5 DHBDRM O=C([O-])Cc1cccc(Nc2ccc([N+](=O)[O-])c3cnccc23)c1 ZINC000738631034 602011642 /nfs/dbraw/zinc/01/16/42/602011642.db2.gz XLMYEHZBSMGJQF-UHFFFAOYSA-N -1 0 323.308 3.514 20 5 DHBDRM O=C([O-])Nc1ccc(F)c(NCc2cc(F)ccc2[N+](=O)[O-])c1 ZINC000740704017 603102654 /nfs/dbraw/zinc/10/26/54/603102654.db2.gz SKJSKUUGYUULOS-UHFFFAOYSA-N -1 0 323.255 3.575 20 5 DHBDRM Cc1c(COc2ccc(N(C)C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000829866523 603159222 /nfs/dbraw/zinc/15/92/22/603159222.db2.gz AHWYBEAQLHBFGN-UHFFFAOYSA-N -1 0 316.313 3.596 20 5 DHBDRM O=C([O-])c1ccc(Oc2ccc(F)cc2[N+](=O)[O-])cc1Cl ZINC000061848617 957594224 /nfs/dbraw/zinc/59/42/24/957594224.db2.gz MHXLGWQNOWTIHC-UHFFFAOYSA-N -1 0 311.652 3.878 20 5 DHBDRM C[C@H](CC(=O)[O-])SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC001592422406 978036066 /nfs/dbraw/zinc/03/60/66/978036066.db2.gz OIRQYRCQRMWFEP-ZCFIWIBFSA-N -1 0 324.185 3.998 20 5 DHBDRM CC(C)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000427919518 1014552803 /nfs/dbraw/zinc/55/28/03/1014552803.db2.gz XYVLBVQMLSVSIX-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM CCCCN(C(=O)c1cccc([O-])c1[N+](=O)[O-])C1CCCCC1 ZINC000520878179 1014607048 /nfs/dbraw/zinc/60/70/48/1014607048.db2.gz NRCDJZRBVUAXDO-UHFFFAOYSA-N -1 0 320.389 3.875 20 5 DHBDRM CC[C@@H](Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC001595317449 980493010 /nfs/dbraw/zinc/49/30/10/980493010.db2.gz TWHZINXECGDVQG-CQSZACIVSA-N -1 0 320.389 3.993 20 5 DHBDRM CC[C@@H]1CCC[C@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001595452732 981115647 /nfs/dbraw/zinc/11/56/47/981115647.db2.gz JLCKWFPLGDEZLJ-ZAACICEASA-N -1 0 318.373 3.931 20 5 DHBDRM CCCC[C@H](SCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595657353 982062087 /nfs/dbraw/zinc/06/20/87/982062087.db2.gz LZOBMYYHTBPXLJ-LBPRGKRZSA-N -1 0 301.339 3.611 20 5 DHBDRM CCCCC[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001595686936 982176873 /nfs/dbraw/zinc/17/68/73/982176873.db2.gz JRSZLISISYGNKF-GFCCVEGCSA-N -1 0 300.742 3.694 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccccc1C1CC1 ZINC000610572930 1014854301 /nfs/dbraw/zinc/85/43/01/1014854301.db2.gz JJVNVYDZXCXZKR-FPLPWBNLSA-N -1 0 310.309 3.736 20 5 DHBDRM C[C@@H]1CCCC[C@@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000920957561 982695937 /nfs/dbraw/zinc/69/59/37/982695937.db2.gz SCDMFHBJSWRVBS-YIGWZEFJSA-N -1 0 304.346 3.683 20 5 DHBDRM CCN(Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1C ZINC001596356162 983823517 /nfs/dbraw/zinc/82/35/17/983823517.db2.gz HVMKJZUYPYIGBX-UHFFFAOYSA-N -1 0 314.341 3.628 20 5 DHBDRM C/C(=C/C(=O)[O-])COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001588952568 984686743 /nfs/dbraw/zinc/68/67/43/984686743.db2.gz RDFNLPXKUYMQPP-XFXZXTDPSA-N -1 0 313.309 3.672 20 5 DHBDRM C/C(=C\Cl)CSc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001588990809 984912419 /nfs/dbraw/zinc/91/24/19/984912419.db2.gz HMOQHLCTFOPGIB-AACIIYHXSA-N -1 0 313.762 3.927 20 5 DHBDRM CC(C)CC[C@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001591218183 992077326 /nfs/dbraw/zinc/07/73/26/992077326.db2.gz SUZHLDKSARNSPI-UPZNUWHASA-N -1 0 306.362 3.929 20 5 DHBDRM CC1(C)CCC[C@H]1CCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001593903796 996776996 /nfs/dbraw/zinc/77/69/96/996776996.db2.gz ZXTACMGCXUUYCI-ZDUSSCGKSA-N -1 0 320.389 3.850 20 5 DHBDRM CC(C)(C)CCCNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001147451626 1032314247 /nfs/dbraw/zinc/31/42/47/1032314247.db2.gz NYYAGVDVPNLCLE-UHFFFAOYSA-N -1 0 314.769 3.510 20 5 DHBDRM CC(C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000348180628 1032491245 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Cc1ccc(Cl)cc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000537719273 1032901803 /nfs/dbraw/zinc/90/18/03/1032901803.db2.gz YYZGMDAUTAMHEA-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccccc3Cl)no2)cc1[O-] ZINC000189935861 1021463208 /nfs/dbraw/zinc/46/32/08/1021463208.db2.gz XPPDZRUODVKVAU-UHFFFAOYSA-N -1 0 317.688 3.671 20 5 DHBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416288133 1022235751 /nfs/dbraw/zinc/23/57/51/1022235751.db2.gz KPMHQVRGVSYWRE-ZIAGYGMSSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1cc(F)cc(C(=O)Nc2ccc(Cl)cc2[O-])c1[N+](=O)[O-] ZINC000179639396 1022495786 /nfs/dbraw/zinc/49/57/86/1022495786.db2.gz WJEYEIMYRVIETA-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CCC[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000183904954 1022541164 /nfs/dbraw/zinc/54/11/64/1022541164.db2.gz CWLODPHPDHFBIL-AWEZNQCLSA-N -1 0 314.341 3.823 20 5 DHBDRM Cc1ccc(F)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000180783541 1022829569 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CC[C@@H](C)Oc1ccccc1-c1cc(C(=O)[O-])c([N+](=O)[O-])cn1 ZINC000566495436 1028732869 /nfs/dbraw/zinc/73/28/69/1028732869.db2.gz ZUUCNCJKODMIEM-SNVBAGLBSA-N -1 0 316.313 3.532 20 5 DHBDRM Cc1cc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])ccc1F ZINC000339077868 1030492923 /nfs/dbraw/zinc/49/29/23/1030492923.db2.gz WJMVJLZAXBXWAR-LLVKDONJSA-N -1 0 304.321 3.599 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CNC1(c2cccc(Cl)c2)CC1 ZINC000559147425 1031137791 /nfs/dbraw/zinc/13/77/91/1031137791.db2.gz YKSJGLBORMMYJY-UHFFFAOYSA-N -1 0 318.760 3.733 20 5 DHBDRM O=c1cc(C2CCCC2)[n-]n1-c1ccc([N+](=O)[O-])cc1Cl ZINC000871951908 1031386916 /nfs/dbraw/zinc/38/69/16/1031386916.db2.gz WCEVHBHYGQOOCG-UHFFFAOYSA-N -1 0 307.737 3.531 20 5 DHBDRM O=C(Nc1ncc(C2CCCCC2)s1)c1ccc([N+](=O)[O-])[nH]1 ZINC000360718182 1031535289 /nfs/dbraw/zinc/53/52/89/1031535289.db2.gz CCAZUIXHXNZGLT-UHFFFAOYSA-N -1 0 320.374 3.679 20 5 DHBDRM CCCC1CCC(N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000361446896 1031928885 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CSc1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176676374 1035312291 /nfs/dbraw/zinc/31/22/91/1035312291.db2.gz CQPUPIXODHBZCO-UHFFFAOYSA-N -1 0 304.327 3.759 20 5 DHBDRM CC(C)c1cccnc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678513 1035312637 /nfs/dbraw/zinc/31/26/37/1035312637.db2.gz QZHCBVAJVZHUGJ-UHFFFAOYSA-N -1 0 301.302 3.555 20 5 DHBDRM Cc1cc(F)cc(C)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680273 1035312751 /nfs/dbraw/zinc/31/27/51/1035312751.db2.gz WQFIKNVOUYDMMY-UHFFFAOYSA-N -1 0 304.277 3.793 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc3ncccc3c2)cc([N+](=O)[O-])c1 ZINC001176678086 1035312872 /nfs/dbraw/zinc/31/28/72/1035312872.db2.gz LGDDTQDBHINMPM-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM Nc1cccc2cccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c12 ZINC001176678864 1035312926 /nfs/dbraw/zinc/31/29/26/1035312926.db2.gz BYKQLMFGGKBWDU-UHFFFAOYSA-N -1 0 323.308 3.772 20 5 DHBDRM O=C([O-])c1cc(Nc2cc(F)ccc2Cl)cc([N+](=O)[O-])c1 ZINC001176677366 1035313232 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O=C(Nc1ccc(C2CCC2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000428041690 333510291 /nfs/dbraw/zinc/51/02/91/333510291.db2.gz RNEDNJUJPHTCLE-UHFFFAOYSA-N -1 0 312.325 3.820 20 5 DHBDRM C[C@@H]1CCCC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445239369 333689526 /nfs/dbraw/zinc/68/95/26/333689526.db2.gz ZPUGYYKGPVYWPV-KOLCDFICSA-N -1 0 303.318 3.644 20 5 DHBDRM Cc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436873082 334013644 /nfs/dbraw/zinc/01/36/44/334013644.db2.gz VEQMUMGYHGZRHS-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000416283031 334659493 /nfs/dbraw/zinc/65/94/93/334659493.db2.gz DNYUAWFEPJOUQT-KGLIPLIRSA-N -1 0 320.389 3.587 20 5 DHBDRM O=C(Nc1ccc(F)c(C2CC2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000343968263 335208438 /nfs/dbraw/zinc/20/84/38/335208438.db2.gz KOLAVNBVXPGAKS-UHFFFAOYSA-N -1 0 316.288 3.569 20 5 DHBDRM CC(F)(F)c1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000444473549 338473901 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DHBDRM Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CCC(C(=O)[O-])CC1 ZINC000263565949 337631612 /nfs/dbraw/zinc/63/16/12/337631612.db2.gz WBPUEKANNQSDGT-UHFFFAOYSA-N -1 0 312.753 3.612 20 5 DHBDRM CC(C)(C)c1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000436626375 338280493 /nfs/dbraw/zinc/28/04/93/338280493.db2.gz IFKGEAOEQSLIJY-UHFFFAOYSA-N -1 0 314.341 3.850 20 5 DHBDRM Cn1c2ccc(Cl)cc2nc1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436655913 338281822 /nfs/dbraw/zinc/28/18/22/338281822.db2.gz KNEMQAXEUFULAE-UHFFFAOYSA-N -1 0 303.705 3.508 20 5 DHBDRM CC(C)C[C@H]1CCCCCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436790854 338287496 /nfs/dbraw/zinc/28/74/96/338287496.db2.gz PVKIISSBDQIALO-CYBMUJFWSA-N -1 0 320.389 3.731 20 5 DHBDRM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436955354 338295787 /nfs/dbraw/zinc/29/57/87/338295787.db2.gz DZBSXUQQVALYNR-UHFFFAOYSA-N -1 0 323.308 3.548 20 5 DHBDRM CC(C)C[C@@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436965613 338296110 /nfs/dbraw/zinc/29/61/10/338296110.db2.gz LCGMISFMAYKIRF-ZDUSSCGKSA-N -1 0 320.389 3.731 20 5 DHBDRM O=C([O-])c1cccc2oc(/C=C\c3cccc([N+](=O)[O-])c3)nc21 ZINC000439269212 338365565 /nfs/dbraw/zinc/36/55/65/338365565.db2.gz CQUZZDQVTMURRM-FPLPWBNLSA-N -1 0 310.265 3.605 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000449643836 338643940 /nfs/dbraw/zinc/64/39/40/338643940.db2.gz ZJSGZBCWCXCCMA-INIZCTEOSA-N -1 0 314.341 3.621 20 5 DHBDRM O=[N+]([O-])c1ccc(/C=C/c2ccc3cccc(O)c3n2)cc1[O-] ZINC000498304508 339325334 /nfs/dbraw/zinc/32/53/34/339325334.db2.gz FQMAWZLAJJXMCG-QPJJXVBHSA-N -1 0 308.293 3.725 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(F)cc1Cl ZINC000486500162 339728519 /nfs/dbraw/zinc/72/85/19/339728519.db2.gz YIXWZHSEYPYGOG-DUXPYHPUSA-N -1 0 322.679 3.651 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN(Cc1ccco1)C1CCCC1 ZINC000507203607 340213020 /nfs/dbraw/zinc/21/30/20/340213020.db2.gz NNKYIBHFZUQKBO-UHFFFAOYSA-N -1 0 316.357 3.838 20 5 DHBDRM CSc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000195406047 340579194 /nfs/dbraw/zinc/57/91/94/340579194.db2.gz YFWSVRAKEBQWEE-QPJJXVBHSA-N -1 0 316.338 3.580 20 5 DHBDRM CC(C)c1cccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000538834284 340856488 /nfs/dbraw/zinc/85/64/88/340856488.db2.gz HHVWKSAUZQAINE-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM O=C([O-])c1cccnc1SCc1cc([N+](=O)[O-])ccc1Cl ZINC000740239739 600379710 /nfs/dbraw/zinc/37/97/10/600379710.db2.gz FOOMFZQVEVFMGV-UHFFFAOYSA-N -1 0 324.745 3.634 20 5 DHBDRM O=C([O-])/C=C/c1ccc(Oc2cccnc2Cl)c([N+](=O)[O-])c1 ZINC000739622749 600488603 /nfs/dbraw/zinc/48/86/03/600488603.db2.gz BVZFKQWJPLLCAX-GQCTYLIASA-N -1 0 320.688 3.533 20 5 DHBDRM Cc1ccc([N+](=O)[O-])c(NCCc2ccc(NC(=O)[O-])cc2)c1 ZINC000832958302 601560380 /nfs/dbraw/zinc/56/03/80/601560380.db2.gz UFCDHKLGVCAPBB-UHFFFAOYSA-N -1 0 315.329 3.648 20 5 DHBDRM Cc1nc([C@H](C)Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cs1 ZINC000592975234 602317878 /nfs/dbraw/zinc/31/78/78/602317878.db2.gz ZONCBQQLEOEAQL-QMMMGPOBSA-N -1 0 321.358 3.539 20 5 DHBDRM C[C@H](Sc1nc2ccccc2c2nc3ccccc3n21)C(=O)[O-] ZINC000833545130 605171700 /nfs/dbraw/zinc/17/17/00/605171700.db2.gz NXZHACHQKXAAFZ-JTQLQIEISA-N -1 0 323.377 3.601 20 5 DHBDRM C[C@H](Nc1ccc(NC(=O)[O-])c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000833525446 605261511 /nfs/dbraw/zinc/26/15/11/605261511.db2.gz PLVDKWWTVZNELU-VIFPVBQESA-N -1 0 319.292 3.997 20 5 DHBDRM O=C([O-])c1ccc(Cl)cc1OCc1ccccc1[N+](=O)[O-] ZINC000013085473 956935680 /nfs/dbraw/zinc/93/56/80/956935680.db2.gz SGGKCFQRMMWASU-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM CC(C)[C@@H](CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001573500304 959056939 /nfs/dbraw/zinc/05/69/39/959056939.db2.gz QWXGLJCJUMKBFB-SSDOTTSWSA-N -1 0 321.160 3.670 20 5 DHBDRM O=C([O-])Cc1cccc(Nc2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC001606312958 973728666 /nfs/dbraw/zinc/72/86/66/973728666.db2.gz DYDOPUWAFCCKSG-UHFFFAOYSA-N -1 0 323.308 3.514 20 5 DHBDRM CCCC[C@@H](Sc1c2ccccc2ncc1[N+](=O)[O-])C(=O)[O-] ZINC000563433219 974530955 /nfs/dbraw/zinc/53/09/55/974530955.db2.gz SLFNOMVGGQKLMI-CYBMUJFWSA-N -1 0 320.370 3.879 20 5 DHBDRM C[C@@H](CC(=O)[O-])Sc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001592421979 978035333 /nfs/dbraw/zinc/03/53/33/978035333.db2.gz HNPYUSMUNAWICP-JTQLQIEISA-N -1 0 318.354 3.612 20 5 DHBDRM CCC1(CC)CCC(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001595374626 980886379 /nfs/dbraw/zinc/88/63/79/980886379.db2.gz LRNFUULWRRNKFE-UHFFFAOYSA-N -1 0 321.377 3.849 20 5 DHBDRM CCC[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C)C(C)C ZINC001595537300 981386140 /nfs/dbraw/zinc/38/61/40/981386140.db2.gz JEKLNYDFMKRXEH-LBPRGKRZSA-N -1 0 322.361 3.612 20 5 DHBDRM CCCC1(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001595617086 981648895 /nfs/dbraw/zinc/64/88/95/981648895.db2.gz PKAIMXAENKKPDN-GQCTYLIASA-N -1 0 304.346 3.685 20 5 DHBDRM CCCCC[C@H](Nc1nc2ccccc2cc1[N+](=O)[O-])C(=O)[O-] ZINC001595686930 982176880 /nfs/dbraw/zinc/17/68/80/982176880.db2.gz JFHRBDVQPBJYTN-ZDUSSCGKSA-N -1 0 317.345 3.588 20 5 DHBDRM CCCCC[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-] ZINC001595686938 982177015 /nfs/dbraw/zinc/17/70/15/982177015.db2.gz JRSZLISISYGNKF-LBPRGKRZSA-N -1 0 300.742 3.694 20 5 DHBDRM CCOCc1ccc(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001596966475 986175848 /nfs/dbraw/zinc/17/58/48/986175848.db2.gz URSYAQUDRWWEEQ-UHFFFAOYSA-N -1 0 316.313 3.573 20 5 DHBDRM CCc1cc(NCc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1F ZINC001597482471 987978466 /nfs/dbraw/zinc/97/84/66/987978466.db2.gz IDCPNIIXONPXLY-UHFFFAOYSA-N -1 0 318.304 3.607 20 5 DHBDRM Cc1ccc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC000474432773 1015356303 /nfs/dbraw/zinc/35/63/03/1015356303.db2.gz RICDURBGLOIRMQ-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM C[C@H](Nc1ncc(C(=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001593374969 995076020 /nfs/dbraw/zinc/07/60/20/995076020.db2.gz XFELATPHLSNBKC-QMMMGPOBSA-N -1 0 321.720 3.515 20 5 DHBDRM CC1(C)CCC(C)(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001593874000 996687161 /nfs/dbraw/zinc/68/71/61/996687161.db2.gz IPJAMBLSHNOMEZ-UHFFFAOYSA-N -1 0 321.377 3.706 20 5 DHBDRM Cc1cc([C@H](C)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c(C)s1 ZINC000320298401 1016087515 /nfs/dbraw/zinc/08/75/15/1016087515.db2.gz ITBLHPXIWRUVEO-QMMMGPOBSA-N -1 0 321.358 3.539 20 5 DHBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000221011616 1016911665 /nfs/dbraw/zinc/91/16/65/1016911665.db2.gz DIJVOSUKVITATI-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C(OCc1ccc(C(F)F)cc1)c1cc(O)cc([N+](=O)[O-])c1 ZINC000764552940 1018313179 /nfs/dbraw/zinc/31/31/79/1018313179.db2.gz BVIVXDBHCABJGT-UHFFFAOYSA-N -1 0 323.251 3.595 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1c1ccc(F)cc1 ZINC000338889701 1020340947 /nfs/dbraw/zinc/34/09/47/1020340947.db2.gz JZKNTPXDPWPRMW-MRXNPFEDSA-N -1 0 316.332 3.777 20 5 DHBDRM CCCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000029467265 1020524555 /nfs/dbraw/zinc/52/45/55/1020524555.db2.gz JTVIMHHYQWPVRX-UHFFFAOYSA-N -1 0 300.314 3.505 20 5 DHBDRM CC(C)CN(Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000339012390 1032968640 /nfs/dbraw/zinc/96/86/40/1032968640.db2.gz FREHDMPXHCKUDG-UHFFFAOYSA-N -1 0 316.357 3.669 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)cc1 ZINC000195405989 1022169347 /nfs/dbraw/zinc/16/93/47/1022169347.db2.gz BBFZMJVTASZKHR-ZZXKWVIFSA-N -1 0 304.689 3.512 20 5 DHBDRM CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000416283298 1022233823 /nfs/dbraw/zinc/23/38/23/1022233823.db2.gz FGVWHVZSCXQMMM-OLZOCXBDSA-N -1 0 320.389 3.587 20 5 DHBDRM O=C(Cc1ccc2ccccc2c1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183908567 1022541643 /nfs/dbraw/zinc/54/16/43/1022541643.db2.gz SMUBAJJURPDEQC-UHFFFAOYSA-N -1 0 322.320 3.635 20 5 DHBDRM C[C@@H](OC(=O)c1cc([S-])ccc1F)c1ccccc1[N+](=O)[O-] ZINC000798723278 1024740740 /nfs/dbraw/zinc/74/07/40/1024740740.db2.gz JLWFNLOOPJJTAO-SECBINFHSA-N -1 0 321.329 3.941 20 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/nfs/dbraw/zinc/71/06/81/1033710681.db2.gz CAHOEAUVRCZYOY-SECBINFHSA-N -1 0 324.739 3.944 20 5 DHBDRM O=c1[n-]c(F)c(Cl)c(Nc2ccc([N+](=O)[O-])cc2)c1Cl ZINC001174477024 1034436086 /nfs/dbraw/zinc/43/60/86/1034436086.db2.gz IGZTTWDRLSDTEF-UHFFFAOYSA-N -1 0 318.091 3.885 20 5 DHBDRM O=C([O-])c1ccc(Nc2ccc3cnccc3c2)cc1[N+](=O)[O-] ZINC001174504103 1034462178 /nfs/dbraw/zinc/46/21/78/1034462178.db2.gz DRGCTCKZPQIYJB-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM O=C([O-])c1ccc(Nc2cnc3ccsc3c2)cc1[N+](=O)[O-] ZINC001174503945 1034462406 /nfs/dbraw/zinc/46/24/06/1034462406.db2.gz PPTOQDDTFHOYEA-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM O=C([O-])c1ccc(Nc2csc3ncccc23)cc1[N+](=O)[O-] ZINC001174502926 1034462532 /nfs/dbraw/zinc/46/25/32/1034462532.db2.gz NUNYIAXPIHDBTC-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM CNc1ccc(Cl)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176681183 1035312715 /nfs/dbraw/zinc/31/27/15/1035312715.db2.gz YATPMIMCUVHNBD-UHFFFAOYSA-N -1 0 321.720 3.732 20 5 DHBDRM COc1cc(Cl)cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176679354 1035312727 /nfs/dbraw/zinc/31/27/27/1035312727.db2.gz GSQCDPIPEIMYKZ-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM O=C([O-])c1cc(Nc2cccnc2C2CCC2)cc([N+](=O)[O-])c1 ZINC001176678219 1035313001 /nfs/dbraw/zinc/31/30/01/1035313001.db2.gz MNSIBXIICHOUEG-UHFFFAOYSA-N -1 0 313.313 3.699 20 5 DHBDRM CCCOc1ccccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680098 1035313257 /nfs/dbraw/zinc/31/32/57/1035313257.db2.gz PHPLXOGQXPMNRB-UHFFFAOYSA-N -1 0 316.313 3.825 20 5 DHBDRM CCc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)cc1 ZINC000904574754 1035431615 /nfs/dbraw/zinc/43/16/15/1035431615.db2.gz BUXQCZAKYUOJBG-UHFFFAOYSA-N -1 0 311.297 3.580 20 5 DHBDRM CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])Cc2ccccc21 ZINC001192939703 1035523477 /nfs/dbraw/zinc/52/34/77/1035523477.db2.gz QEWADNFWHOGSNI-UHFFFAOYSA-N -1 0 312.369 3.594 20 5 DHBDRM Cc1cc([N+](=O)[O-])ccc1/C=C/c1nc2cc(C(=O)[O-])ccc2o1 ZINC000486101107 1036128455 /nfs/dbraw/zinc/12/84/55/1036128455.db2.gz DJFBUEFXBXOLBS-QPJJXVBHSA-N -1 0 324.292 3.913 20 5 DHBDRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000491581223 1036607181 /nfs/dbraw/zinc/60/71/81/1036607181.db2.gz KGUAAOCXQUISKE-NWDGAFQWSA-N -1 0 320.389 3.587 20 5 DHBDRM O=C([O-])c1cc(N[C@H]2CCSC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000910335334 1036834679 /nfs/dbraw/zinc/83/46/79/1036834679.db2.gz TWXUNNSEVQXEKT-NSHDSACASA-N -1 0 322.386 3.523 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1ccc2c(c1)CCO2 ZINC001189511970 1038162957 /nfs/dbraw/zinc/16/29/57/1038162957.db2.gz CGQFUFGEWOLCFQ-UHFFFAOYSA-N -1 0 303.339 3.528 20 5 DHBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1c(F)cccc1F ZINC000917095055 1038198404 /nfs/dbraw/zinc/19/84/04/1038198404.db2.gz XMLHIEFKCHPFNJ-QMMMGPOBSA-N -1 0 322.267 3.744 20 5 DHBDRM O=C([O-])CC[C@H](Cc1ccccc1)Nc1sccc1[N+](=O)[O-] ZINC000591327388 1038798576 /nfs/dbraw/zinc/79/85/76/1038798576.db2.gz NUZSPPDAIIDTRN-GFCCVEGCSA-N -1 0 320.370 3.544 20 5 DHBDRM O=C([O-])c1ccc2scc(-c3ccc([N+](=O)[O-])nc3)c2c1 ZINC000598948843 1038963164 /nfs/dbraw/zinc/96/31/64/1038963164.db2.gz RYQZSCRGHTYUPQ-UHFFFAOYSA-N -1 0 300.295 3.570 20 5 DHBDRM CC(C)(CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1ccccc1 ZINC000603580106 1039065879 /nfs/dbraw/zinc/06/58/79/1039065879.db2.gz MLDWMUVDBZVBSK-UHFFFAOYSA-N -1 0 314.341 3.683 20 5 DHBDRM CC1(C)C[C@@]1(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000595907581 1040273411 /nfs/dbraw/zinc/27/34/11/1040273411.db2.gz BDCRCWCPBHJMHH-GOSISDBHSA-N -1 0 312.369 3.715 20 5 DHBDRM CC(C)(C)OCc1ccc(Nc2cc[nH]c(=O)c2[N+](=O)[O-])cc1 ZINC000596155699 1040319205 /nfs/dbraw/zinc/31/92/05/1040319205.db2.gz VKQGFOVSYIOAEU-UHFFFAOYSA-N -1 0 317.345 3.754 20 5 DHBDRM O=C([O-])c1cc(COc2ccc(Cl)cc2[N+](=O)[O-])cs1 ZINC000020312525 182205875 /nfs/dbraw/zinc/20/58/75/182205875.db2.gz KQQFCVAJODSKLZ-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]1c1cccs1 ZINC000569372534 332066209 /nfs/dbraw/zinc/06/62/09/332066209.db2.gz URQPYBOZFPBTJZ-OAHLLOKOSA-N -1 0 318.398 3.945 20 5 DHBDRM Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c(Cl)c1 ZINC000183296819 333054321 /nfs/dbraw/zinc/05/43/21/333054321.db2.gz OJPNWSCVOKCXFA-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CC(C)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000318842784 333216969 /nfs/dbraw/zinc/21/69/69/333216969.db2.gz ZQPBRKZFYDHEPU-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM CC(C)CC1(C)CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436921696 334016796 /nfs/dbraw/zinc/01/67/96/334016796.db2.gz KOFFZRZMZFBVIZ-UHFFFAOYSA-N -1 0 320.389 3.589 20 5 DHBDRM Cc1cc(Cl)cc(NC(=O)c2cc([N+](=O)[O-])ccc2C)c1O ZINC000534704284 334328480 /nfs/dbraw/zinc/32/84/80/334328480.db2.gz GYDPJCRALRBFTE-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM CCC[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000356224248 336541703 /nfs/dbraw/zinc/54/17/03/336541703.db2.gz PMIIJLXVYCMXTM-MRXNPFEDSA-N -1 0 314.341 3.572 20 5 DHBDRM Cc1cc(NC[C@@H](C)CC(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583146191 337245954 /nfs/dbraw/zinc/24/59/54/337245954.db2.gz PDECIZOGWGQKKY-ZETCQYMHSA-N -1 0 320.267 3.602 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1nc2ccccc2o1 ZINC000436475274 338273503 /nfs/dbraw/zinc/27/35/03/338273503.db2.gz UBNWJFWWVLBKMM-UHFFFAOYSA-N -1 0 302.311 3.734 20 5 DHBDRM CCCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436959349 338295835 /nfs/dbraw/zinc/29/58/35/338295835.db2.gz MUQIVAPEMALQGP-UHFFFAOYSA-N -1 0 320.389 3.733 20 5 DHBDRM CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436961804 338296014 /nfs/dbraw/zinc/29/60/14/338296014.db2.gz AMJHSTWHFVQQNL-AWEZNQCLSA-N -1 0 320.389 3.731 20 5 DHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(C2CCC2)c1 ZINC000467502719 339240365 /nfs/dbraw/zinc/24/03/65/339240365.db2.gz NSDTXHXDWUWNJD-UHFFFAOYSA-N -1 0 312.325 3.820 20 5 DHBDRM CC(/C=C/c1ncc(C(=O)[O-])s1)=C/c1cccc([N+](=O)[O-])c1 ZINC000469094835 339280104 /nfs/dbraw/zinc/28/01/04/339280104.db2.gz VNHCXXJURYYSJB-LXGGSRJLSA-N -1 0 316.338 3.866 20 5 DHBDRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000491571218 339867475 /nfs/dbraw/zinc/86/74/75/339867475.db2.gz BFMKGZUFWARNJN-NEPJUHHUSA-N -1 0 320.389 3.587 20 5 DHBDRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000491581224 339867733 /nfs/dbraw/zinc/86/77/33/339867733.db2.gz KGUAAOCXQUISKE-RYUDHWBXSA-N -1 0 320.389 3.587 20 5 DHBDRM CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000128093757 340860667 /nfs/dbraw/zinc/86/06/67/340860667.db2.gz OFHYVUOBUZUYJD-CYBMUJFWSA-N -1 0 318.304 3.572 20 5 DHBDRM O=[N+]([O-])c1cc([O-])cc(-c2nc(-c3ccc(Cl)cc3)no2)c1 ZINC000548270080 341253610 /nfs/dbraw/zinc/25/36/10/341253610.db2.gz IXIHZBPAPKZFDQ-UHFFFAOYSA-N -1 0 317.688 3.671 20 5 DHBDRM O=C(CCc1ccccc1Cl)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166125890 341715942 /nfs/dbraw/zinc/71/59/42/341715942.db2.gz ASLSYPYSSLWDHV-UHFFFAOYSA-N -1 0 320.732 3.525 20 5 DHBDRM Cc1cccc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])c1C ZINC000339207785 524374648 /nfs/dbraw/zinc/37/46/48/524374648.db2.gz GGYYNYTZWFJKOF-UHFFFAOYSA-N -1 0 300.358 3.549 20 5 DHBDRM Cc1c(CNc2ccc(CCC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000738289690 600677722 /nfs/dbraw/zinc/67/77/22/600677722.db2.gz SBTNGKKYHLAAEZ-UHFFFAOYSA-N -1 0 314.341 3.533 20 5 DHBDRM C[C@@H](Oc1ccc(NC(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000827890309 601373123 /nfs/dbraw/zinc/37/31/23/601373123.db2.gz PQRBDMCAACISPR-SNVBAGLBSA-N -1 0 302.286 3.825 20 5 DHBDRM Cc1cc(N2CCC[C@@H]2c2ccco2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000571213561 602318712 /nfs/dbraw/zinc/31/87/12/602318712.db2.gz IVSGFLFXEZDIQH-CYBMUJFWSA-N -1 0 316.313 3.536 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCC3(CCCC3)C2)cc1Cl ZINC000833306873 604269930 /nfs/dbraw/zinc/26/99/30/604269930.db2.gz FMIOWGWRRBEBKC-UHFFFAOYSA-N -1 0 324.764 3.717 20 5 DHBDRM O=C([O-])c1cc(COc2cc([N+](=O)[O-])ccc2Cl)cs1 ZINC000020312766 957136777 /nfs/dbraw/zinc/13/67/77/957136777.db2.gz AQVYYZNGYPTNNL-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM CC[C@H](Sc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000097824435 1013538129 /nfs/dbraw/zinc/53/81/29/1013538129.db2.gz CNXSZSGUGPSNPR-QMMMGPOBSA-N -1 0 309.265 3.569 20 5 DHBDRM CC(C)[C@@H]1C[C@H]1CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001591853465 976141924 /nfs/dbraw/zinc/14/19/24/976141924.db2.gz DHQBWUPWJDYNSB-WPRPVWTQSA-N -1 0 312.753 3.650 20 5 DHBDRM CC(C)c1ccccc1COc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001591994595 976633982 /nfs/dbraw/zinc/63/39/82/976633982.db2.gz NLCCEKJQJLOVQF-UHFFFAOYSA-N -1 0 315.325 3.995 20 5 DHBDRM CCCC[C@@H](Sc1nc2ccccc2cc1[N+](=O)[O-])C(=O)[O-] ZINC001595657115 982058993 /nfs/dbraw/zinc/05/89/93/982058993.db2.gz IHOMDBIBWKSOFI-CYBMUJFWSA-N -1 0 320.370 3.879 20 5 DHBDRM CCCC[C@@H](SCc1ccc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595657352 982061625 /nfs/dbraw/zinc/06/16/25/982061625.db2.gz LZOBMYYHTBPXLJ-GFCCVEGCSA-N -1 0 301.339 3.611 20 5 DHBDRM CC[C@@H](C)c1cccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001595013341 982946619 /nfs/dbraw/zinc/94/66/19/982946619.db2.gz HAMMOZAVKZAGKX-SNVBAGLBSA-N -1 0 315.329 3.945 20 5 DHBDRM CC[C@@H](C)c1cccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001595013929 982950188 /nfs/dbraw/zinc/95/01/88/982950188.db2.gz OBJOHWRRXXZRCH-SNVBAGLBSA-N -1 0 315.329 3.945 20 5 DHBDRM CC(C)(CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001590774188 990575854 /nfs/dbraw/zinc/57/58/54/990575854.db2.gz GUHYQUMXDNIJMF-UHFFFAOYSA-N -1 0 314.341 3.683 20 5 DHBDRM CC(C)C[C@@H]1C[C@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001591448503 992552428 /nfs/dbraw/zinc/55/24/28/992552428.db2.gz NIWFNAUJOMRAJI-UDGJJRABSA-N -1 0 304.346 3.539 20 5 DHBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)c1ccccn1 ZINC001593365694 995042786 /nfs/dbraw/zinc/04/27/86/995042786.db2.gz GPANPEODGKOYOP-MRVPVSSYSA-N -1 0 321.720 3.515 20 5 DHBDRM CC1(C)C(C)(C)C1(C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001593830985 996574315 /nfs/dbraw/zinc/57/43/15/996574315.db2.gz OTBZGZBRLUXUJA-CLFYSBASSA-N -1 0 318.373 3.929 20 5 DHBDRM Cc1ccc(N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000772993469 1032426828 /nfs/dbraw/zinc/42/68/28/1032426828.db2.gz USBMCOVMWRJICD-UHFFFAOYSA-N -1 0 320.732 3.539 20 5 DHBDRM CC(F)(F)c1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000444443546 1017485482 /nfs/dbraw/zinc/48/54/82/1017485482.db2.gz XLWFGGMPPCUVJX-UHFFFAOYSA-N -1 0 322.267 3.664 20 5 DHBDRM Cc1cccc(C(=O)Nc2cccc(Cl)c2[O-])c1[N+](=O)[O-] ZINC000172110046 1018012953 /nfs/dbraw/zinc/01/29/53/1018012953.db2.gz ILJABFDDQCFIGZ-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCC1(CC)CCCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000347905964 1018981657 /nfs/dbraw/zinc/98/16/57/1018981657.db2.gz YPLPCNURJKQAEZ-UHFFFAOYSA-N -1 0 320.389 3.733 20 5 DHBDRM O=C([O-])c1cc(NCc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000070211555 1019227537 /nfs/dbraw/zinc/22/75/37/1019227537.db2.gz IJTNCVSRRXYTIR-UHFFFAOYSA-N -1 0 312.734 3.620 20 5 DHBDRM CC(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000318510580 1020045849 /nfs/dbraw/zinc/04/58/49/1020045849.db2.gz GJJPOSBCMHGKGX-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM CC[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(F)cc1F ZINC000739273952 1020901575 /nfs/dbraw/zinc/90/15/75/1020901575.db2.gz PIYAKCZYNDZEBA-GFCCVEGCSA-N -1 0 310.256 3.509 20 5 DHBDRM CC(C)(CC(F)F)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000412225898 1021839586 /nfs/dbraw/zinc/83/95/86/1021839586.db2.gz BLIKDIYKFXOADZ-UHFFFAOYSA-N -1 0 322.695 3.574 20 5 DHBDRM CC(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000184082747 1022701193 /nfs/dbraw/zinc/70/11/93/1022701193.db2.gz AGMWFMRJLMYNSC-UHFFFAOYSA-N -1 0 306.343 3.738 20 5 DHBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc2ccccc2c1 ZINC000770398741 1023305804 /nfs/dbraw/zinc/30/58/04/1023305804.db2.gz SZKHZNCGYAVQPI-UHFFFAOYSA-N -1 0 322.320 3.730 20 5 DHBDRM O=C(/C=C/c1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770864547 1023352902 /nfs/dbraw/zinc/35/29/02/1023352902.db2.gz YNGAULZTCSJPAY-VMPITWQZSA-N -1 0 318.716 3.606 20 5 DHBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(Cl)cc1 ZINC000772109697 1023514397 /nfs/dbraw/zinc/51/43/97/1023514397.db2.gz GVRFTZAUSZNHIB-UHFFFAOYSA-N -1 0 320.732 3.621 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN(Cc1cccs1)C1CC1 ZINC000349920302 1024768599 /nfs/dbraw/zinc/76/85/99/1024768599.db2.gz HRYKKFZADLPBKQ-UHFFFAOYSA-N -1 0 304.371 3.527 20 5 DHBDRM Cc1cc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c(C)cc1Cl ZINC000793799042 1025167291 /nfs/dbraw/zinc/16/72/91/1025167291.db2.gz GAXSTVFGJHRIIB-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc2ccccc21 ZINC001136407955 1029801048 /nfs/dbraw/zinc/80/10/48/1029801048.db2.gz XEVHCFQVZCPRIY-UHFFFAOYSA-N -1 0 322.320 3.730 20 5 DHBDRM O=C([O-])c1ccc(Nc2ccc(-n3cccc3)cc2)cc1[N+](=O)[O-] ZINC001174504674 1034461193 /nfs/dbraw/zinc/46/11/93/1034461193.db2.gz XNPCDMQSBOPCTA-UHFFFAOYSA-N -1 0 323.308 3.827 20 5 DHBDRM Cc1c(Cl)cc(N)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504901 1034461554 /nfs/dbraw/zinc/46/15/54/1034461554.db2.gz KKICDZKIMPRGHY-UHFFFAOYSA-N -1 0 321.720 3.581 20 5 DHBDRM O=C([O-])c1ccc(Nc2ccc3scnc3c2)cc1[N+](=O)[O-] ZINC001174504359 1034461640 /nfs/dbraw/zinc/46/16/40/1034461640.db2.gz ALPBXICZPMRLNL-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM O=C([O-])c1ccc(Nc2cccc3ncsc32)cc1[N+](=O)[O-] ZINC001174505168 1034461879 /nfs/dbraw/zinc/46/18/79/1034461879.db2.gz SBPJXGDMWMBOQS-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM CC(C)Oc1cccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174505232 1034462219 /nfs/dbraw/zinc/46/22/19/1034462219.db2.gz VGNOCCXCHARQDK-UHFFFAOYSA-N -1 0 316.313 3.824 20 5 DHBDRM Cc1c(C)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)ccc1F ZINC001174504606 1034462414 /nfs/dbraw/zinc/46/24/14/1034462414.db2.gz DCBZCLWHNYSQBP-UHFFFAOYSA-N -1 0 304.277 3.793 20 5 DHBDRM O=C([O-])c1cc(Nc2cccc(C(F)F)c2)cc([N+](=O)[O-])c1 ZINC001176677324 1035311684 /nfs/dbraw/zinc/31/16/84/1035311684.db2.gz SEWLVXHQSZLPPY-UHFFFAOYSA-N -1 0 308.240 3.974 20 5 DHBDRM O=C([O-])c1cc(Nc2cc(F)cc(Cl)c2)cc([N+](=O)[O-])c1 ZINC001176677515 1035312575 /nfs/dbraw/zinc/31/25/75/1035312575.db2.gz XHYGFUGNCTUEPC-UHFFFAOYSA-N -1 0 310.668 3.829 20 5 DHBDRM COc1cc(C)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1C ZINC001176679942 1035312911 /nfs/dbraw/zinc/31/29/11/1035312911.db2.gz TZDHBECGBITYAD-UHFFFAOYSA-N -1 0 316.313 3.662 20 5 DHBDRM CC(C)(C)[C@@H]1CCCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000032419567 1036823432 /nfs/dbraw/zinc/82/34/32/1036823432.db2.gz HDAOSVMWXXBPDL-CHWSQXEVSA-N -1 0 320.389 3.635 20 5 DHBDRM O=C([O-])c1ccc(COc2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000020312297 182205623 /nfs/dbraw/zinc/20/56/23/182205623.db2.gz BTPMGSSXMLQEQQ-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM CC[C@H](C)n1nc([N-]c2ncc(Cl)cc2[N+](=O)[O-])cc1C ZINC000539396592 435551265 /nfs/dbraw/zinc/55/12/65/435551265.db2.gz IAMVCWCZVDPMJX-QMMMGPOBSA-N -1 0 309.757 3.863 20 5 DHBDRM Cc1cc([N-]c2ncc(Cl)cc2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000543189537 435648542 /nfs/dbraw/zinc/64/85/42/435648542.db2.gz RTNILIAJWHJHNQ-SECBINFHSA-N -1 0 321.768 3.863 20 5 DHBDRM CCCC[C@H](Sc1nccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000570942417 332914636 /nfs/dbraw/zinc/91/46/36/332914636.db2.gz QOUQCEANNLVGAG-ZDUSSCGKSA-N -1 0 320.370 3.879 20 5 DHBDRM Cc1ccccc1C[C@H](C)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000559142674 331981602 /nfs/dbraw/zinc/98/16/02/331981602.db2.gz KORZNWPKZOGUHT-LBPRGKRZSA-N -1 0 314.341 3.645 20 5 DHBDRM CCC(CC)N(CC(C)C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000318790590 333209843 /nfs/dbraw/zinc/20/98/43/333209843.db2.gz QFPGRJINKXKXJQ-UHFFFAOYSA-N -1 0 308.378 3.587 20 5 DHBDRM Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436864349 334011969 /nfs/dbraw/zinc/01/19/69/334011969.db2.gz YNEBLQGJSQEZKY-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000187771495 334271478 /nfs/dbraw/zinc/27/14/78/334271478.db2.gz AJKWJXNGNACBAN-UHFFFAOYSA-N -1 0 314.341 3.747 20 5 DHBDRM Cc1sc(/C=C/c2ccc([N+](=O)[O-])cc2C)nc1C(=O)[O-] ZINC000352035150 336190895 /nfs/dbraw/zinc/19/08/95/336190895.db2.gz MNKVQIXDPHRFNY-GQCTYLIASA-N -1 0 304.327 3.537 20 5 DHBDRM Cc1ccc(Cl)cc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356311487 336545877 /nfs/dbraw/zinc/54/58/77/336545877.db2.gz JQQWTUWRLKYCIF-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1occc1-c1ccccc1 ZINC000089530822 337870854 /nfs/dbraw/zinc/87/08/54/337870854.db2.gz RDKLSLOADUGCJU-UHFFFAOYSA-N -1 0 324.292 3.813 20 5 DHBDRM C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC000089531150 337870928 /nfs/dbraw/zinc/87/09/28/337870928.db2.gz BIQWJIQWTOSOPD-SNVBAGLBSA-N -1 0 318.304 3.572 20 5 DHBDRM CC(C)c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436674575 338282352 /nfs/dbraw/zinc/28/23/52/338282352.db2.gz QIMCUMRBAYFCFX-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436782624 338287176 /nfs/dbraw/zinc/28/71/76/338287176.db2.gz OGWOEYBINFMAHF-UHFFFAOYSA-N -1 0 316.288 3.569 20 5 DHBDRM CCCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC000436961611 338296117 /nfs/dbraw/zinc/29/61/17/338296117.db2.gz BUWZKEGCIHCHLV-UHFFFAOYSA-N -1 0 320.389 3.875 20 5 DHBDRM CC(C)C(C)(C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000439730684 338376670 /nfs/dbraw/zinc/37/66/70/338376670.db2.gz KRRSKNPBGJQJDS-UHFFFAOYSA-N -1 0 300.742 3.575 20 5 DHBDRM CC(C)C[C@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000440936949 338400101 /nfs/dbraw/zinc/40/01/01/338400101.db2.gz NUDILKRGKXCNCK-CQSZACIVSA-N -1 0 320.389 3.731 20 5 DHBDRM Cc1cc([N+](=O)[O-])ccc1/C=C\c1nc2cc(C(=O)[O-])ccc2o1 ZINC000486101106 339721126 /nfs/dbraw/zinc/72/11/26/339721126.db2.gz DJFBUEFXBXOLBS-DAXSKMNVSA-N -1 0 324.292 3.913 20 5 DHBDRM C[C@H](c1cc(F)ccc1F)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000507192561 340212291 /nfs/dbraw/zinc/21/22/91/340212291.db2.gz SIFXOAXKJWYVLO-SNVBAGLBSA-N -1 0 322.311 3.772 20 5 DHBDRM C[C@H](CCC1CCCCC1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000512946291 340385147 /nfs/dbraw/zinc/38/51/47/340385147.db2.gz ZVGRNFVTQZWPHN-GFCCVEGCSA-N -1 0 320.389 3.779 20 5 DHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2[O-])c1 ZINC000153438617 341540213 /nfs/dbraw/zinc/54/02/13/341540213.db2.gz PNQMPGLLDYXRDN-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCCC[C@H](Sc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000577231831 341899124 /nfs/dbraw/zinc/89/91/24/341899124.db2.gz RIWLBMHCJTZNQJ-ZDUSSCGKSA-N -1 0 320.370 3.879 20 5 DHBDRM Cc1ccc2oc(Oc3cc(C(=O)[O-])ccc3[N+](=O)[O-])nc2c1 ZINC000738680438 600503541 /nfs/dbraw/zinc/50/35/41/600503541.db2.gz HKTMGXITEMJOAB-UHFFFAOYSA-N -1 0 314.253 3.535 20 5 DHBDRM C[C@H](Oc1ccc(NC(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000827890308 601373058 /nfs/dbraw/zinc/37/30/58/601373058.db2.gz PQRBDMCAACISPR-JTQLQIEISA-N -1 0 302.286 3.825 20 5 DHBDRM O=C([O-])c1ccc(CSCc2cccc([N+](=O)[O-])c2)s1 ZINC000833316418 601846597 /nfs/dbraw/zinc/84/65/97/601846597.db2.gz FULWUDXACYSTBC-UHFFFAOYSA-N -1 0 309.368 3.788 20 5 DHBDRM Cc1cc(N[C@@H]2CCCC(F)(F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583937585 604646678 /nfs/dbraw/zinc/64/66/78/604646678.db2.gz SHOWLGIFYHHHCW-SECBINFHSA-N -1 0 314.288 3.591 20 5 DHBDRM C[C@@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000833739232 605191782 /nfs/dbraw/zinc/19/17/82/605191782.db2.gz UDKFIRGIEJNEOR-MRVPVSSYSA-N -1 0 322.267 3.744 20 5 DHBDRM O=C([O-])c1ccc(OCc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000049962909 957482091 /nfs/dbraw/zinc/48/20/91/957482091.db2.gz BELVNJQJDALGPE-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM O=C([O-])c1ccccc1COc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050469893 957492599 /nfs/dbraw/zinc/49/25/99/957492599.db2.gz VRKZTZHRIKKSFS-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM O=C([O-])c1ccccc1COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051608736 957505647 /nfs/dbraw/zinc/50/56/47/957505647.db2.gz BGCSGPDGERLNSE-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM CCCOC(=O)c1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC001210397523 1013831223 /nfs/dbraw/zinc/83/12/23/1013831223.db2.gz DURPXOOIDIYNSY-UHFFFAOYSA-N -1 0 316.313 3.611 20 5 DHBDRM O=C([O-])C1(CNc2c(Cl)c(Cl)ccc2[N+](=O)[O-])CCC1 ZINC001605957927 972923856 /nfs/dbraw/zinc/92/38/56/972923856.db2.gz DDAKYLVLNVGGDO-UHFFFAOYSA-N -1 0 319.144 3.568 20 5 DHBDRM O=[N+]([O-])c1cc(F)ccc1Nc1cc([O-])c(Cl)cc1F ZINC001210953488 1014096765 /nfs/dbraw/zinc/09/67/65/1014096765.db2.gz JZNVJXHEVPZNQQ-UHFFFAOYSA-N -1 0 300.648 3.976 20 5 DHBDRM CCC(CC)(CNc1nc2ccc([N+](=O)[O-])cc2s1)C(=O)[O-] ZINC000818618530 978920022 /nfs/dbraw/zinc/92/00/22/978920022.db2.gz PICLFROGBOSXNE-UHFFFAOYSA-N -1 0 323.374 3.507 20 5 DHBDRM CCCCCC[C@@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595696526 982229759 /nfs/dbraw/zinc/22/97/59/982229759.db2.gz AOOGLUVMMAVFJM-SNVBAGLBSA-N -1 0 309.366 3.767 20 5 DHBDRM Cc1ccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000917078498 982679514 /nfs/dbraw/zinc/67/95/14/982679514.db2.gz IZEKOYJGROORMF-DAXSKMNVSA-N -1 0 318.354 3.675 20 5 DHBDRM C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000920959212 982695423 /nfs/dbraw/zinc/69/54/23/982695423.db2.gz DZSPJOLOWVYJOS-STUBTGCMSA-N -1 0 318.354 3.927 20 5 DHBDRM C[C@H](C(=O)[O-])c1cccc(Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001589540140 987239919 /nfs/dbraw/zinc/23/99/19/987239919.db2.gz QQVOJJQJXNZASM-VIFPVBQESA-N -1 0 304.277 3.666 20 5 DHBDRM CCc1ccccc1CNc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001597609773 988499865 /nfs/dbraw/zinc/49/98/65/988499865.db2.gz VAUPBRUEBGAGCH-UHFFFAOYSA-N -1 0 314.341 3.776 20 5 DHBDRM C[C@@H](Nc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(Cl)cn1 ZINC001599842635 988871069 /nfs/dbraw/zinc/87/10/69/988871069.db2.gz SDRAKORTVJQSKY-MRVPVSSYSA-N -1 0 321.720 3.515 20 5 DHBDRM C[C@@H]1CC[C@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594308366 999190572 /nfs/dbraw/zinc/19/05/72/999190572.db2.gz JHFVFRGXUCTHBI-HASJVIIQSA-N -1 0 304.346 3.541 20 5 DHBDRM C[C@@H]1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@H]1C ZINC001594326279 999254672 /nfs/dbraw/zinc/25/46/72/999254672.db2.gz IWZVSGYEVDLJHA-BPFSLKFUSA-N -1 0 318.373 3.929 20 5 DHBDRM CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1C ZINC000342594013 1016825375 /nfs/dbraw/zinc/82/53/75/1016825375.db2.gz YVTKVLVHAJBDMQ-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM CC(C)c1ccccc1N(C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436774032 1012770802 /nfs/dbraw/zinc/77/08/02/1012770802.db2.gz MDAWWVNQYMFKTH-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM COc1ccc([C@@H](C)N(C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000338885601 1020312760 /nfs/dbraw/zinc/31/27/60/1020312760.db2.gz ARYMYWXDHXDSDU-GFCCVEGCSA-N -1 0 316.357 3.502 20 5 DHBDRM CCC1(CC)CCCN(C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000347948795 1020464348 /nfs/dbraw/zinc/46/43/48/1020464348.db2.gz ATNCYODSSGIPTO-UHFFFAOYSA-N -1 0 320.389 3.733 20 5 DHBDRM CC(C)c1cccc(N(C)C(=O)c2cccc([O-])c2[N+](=O)[O-])c1 ZINC000538361256 1033037437 /nfs/dbraw/zinc/03/74/37/1033037437.db2.gz RIOSFTNAPUQTMT-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416293956 1022242200 /nfs/dbraw/zinc/24/22/00/1022242200.db2.gz RGVMUZPULVOXLB-STQMWFEESA-N -1 0 320.389 3.587 20 5 DHBDRM O=C([O-])c1ccnc(-c2ccc(Cl)cc2Cl)c1[N+](=O)[O-] ZINC000002524994 1022448665 /nfs/dbraw/zinc/44/86/65/1022448665.db2.gz FPPMBOPVLHHSNL-UHFFFAOYSA-N -1 0 313.096 3.662 20 5 DHBDRM Cc1cc2nc(NC(=O)c3ccc([N+](=O)[O-])s3)oc2c(C)c1 ZINC000085765684 1022938186 /nfs/dbraw/zinc/93/81/86/1022938186.db2.gz YEGOAOKZYBSFPU-UHFFFAOYSA-N -1 0 317.326 3.667 20 5 DHBDRM Cc1ccc(C(=O)[O-])cc1NCc1ccc([N+](=O)[O-])cc1C ZINC000789897824 1024186263 /nfs/dbraw/zinc/18/62/63/1024186263.db2.gz OHCSZDIWKHAXCK-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1c(F)cccc1Cl ZINC000747154685 1025187909 /nfs/dbraw/zinc/18/79/09/1025187909.db2.gz SWLYMTYLSVBTOV-SSDOTTSWSA-N -1 0 312.684 3.633 20 5 DHBDRM C[C@H](Oc1cc(Br)cc([N+](=O)[O-])c1)C1=CC=C[CH]1 ZINC001229146596 1025424931 /nfs/dbraw/zinc/42/49/31/1025424931.db2.gz VLNTXCXIXOXZKV-VIFPVBQESA-N -1 0 309.139 3.825 20 5 DHBDRM COc1cc(/C=C/c2cc(C=O)c(C)s2)cc([N+](=O)[O-])c1[O-] ZINC000760266061 1025721955 /nfs/dbraw/zinc/72/19/55/1025721955.db2.gz RNQZGSAEPKITCH-ONEGZZNKSA-N -1 0 319.338 3.662 20 5 DHBDRM O=C([O-])[C@@H]1C[C@@]12CCc1cc(-c3cccc([N+](=O)[O-])c3)ccc12 ZINC000569239681 1029200758 /nfs/dbraw/zinc/20/07/58/1029200758.db2.gz ZEHGZABCZABXMB-FUHWJXTLSA-N -1 0 309.321 3.550 20 5 DHBDRM O=C([O-])c1cc(N[C@H](c2ccccc2)C2CC2)ccc1[N+](=O)[O-] ZINC000557809218 1030302423 /nfs/dbraw/zinc/30/24/23/1030302423.db2.gz PLTPEVPGDLRUKF-MRXNPFEDSA-N -1 0 312.325 3.856 20 5 DHBDRM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(Cl)c1 ZINC000191875521 1030859243 /nfs/dbraw/zinc/85/92/43/1030859243.db2.gz IVDDTFOQDLCBBM-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1ccnc(C(C)C)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504541 1034461886 /nfs/dbraw/zinc/46/18/86/1034461886.db2.gz SQKLXVFLNSSFHJ-UHFFFAOYSA-N -1 0 315.329 3.863 20 5 DHBDRM O=C([O-])c1ccc(Nc2cc(C3CCCC3)no2)cc1[N+](=O)[O-] ZINC001174502443 1034462568 /nfs/dbraw/zinc/46/25/68/1034462568.db2.gz OTICHTVFTLTBCV-UHFFFAOYSA-N -1 0 317.301 3.682 20 5 DHBDRM CC(C)CC1(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)CCCC1 ZINC000483441435 1035271501 /nfs/dbraw/zinc/27/15/01/1035271501.db2.gz OWROXRMMDXMBOK-UHFFFAOYSA-N -1 0 306.362 3.845 20 5 DHBDRM O=C([O-])c1cc(Nc2cnc3ccsc3c2)cc([N+](=O)[O-])c1 ZINC001176672314 1035310717 /nfs/dbraw/zinc/31/07/17/1035310717.db2.gz JTCYOKNCQHBCPZ-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1F ZINC001176680263 1035312587 /nfs/dbraw/zinc/31/25/87/1035312587.db2.gz VARUEXRJSHRYMM-UHFFFAOYSA-N -1 0 308.240 3.623 20 5 DHBDRM CC(C)c1cncc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176678353 1035312856 /nfs/dbraw/zinc/31/28/56/1035312856.db2.gz OIWBFFUDTARKOT-UHFFFAOYSA-N -1 0 301.302 3.555 20 5 DHBDRM O=C([O-])c1cc(Nc2cccc(C3CCC3)n2)cc([N+](=O)[O-])c1 ZINC001176678363 1035313004 /nfs/dbraw/zinc/31/30/04/1035313004.db2.gz OUVXSCGYUBIKDY-UHFFFAOYSA-N -1 0 313.313 3.699 20 5 DHBDRM CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000027632215 1036571034 /nfs/dbraw/zinc/57/10/34/1036571034.db2.gz GFZFWNUFCQLZKS-UHFFFAOYSA-N -1 0 314.341 3.895 20 5 DHBDRM CCN(CC)c1ccc(Nc2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001199828577 1037352666 /nfs/dbraw/zinc/35/26/66/1037352666.db2.gz NGRMYZQIBPSFEO-UHFFFAOYSA-N -1 0 301.346 3.890 20 5 DHBDRM O=C([O-])/C=C\c1ccc(NCCC2CCCC2)c([N+](=O)[O-])c1 ZINC000913047022 1037711126 /nfs/dbraw/zinc/71/11/26/1037711126.db2.gz JUDLZSMMHJWXCN-VURMDHGXSA-N -1 0 304.346 3.685 20 5 DHBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CCC(F)CC1 ZINC000595277607 1040095753 /nfs/dbraw/zinc/09/57/53/1040095753.db2.gz OSVSAERMRXNTGE-KPPDAEKUSA-N -1 0 310.325 3.622 20 5 DHBDRM Cc1cc([N+](=O)[O-])ccc1CNc1cccc(C(=O)[O-])c1C ZINC000340679027 132145850 /nfs/dbraw/zinc/14/58/50/132145850.db2.gz OHBOBHASJWNEQP-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM CC[C@H](C)n1nc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])cc1C ZINC000542863671 435648534 /nfs/dbraw/zinc/64/85/34/435648534.db2.gz ACQAXSBFAQRLGG-NSHDSACASA-N -1 0 303.366 3.826 20 5 DHBDRM C[C@H]1CCC[C@@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)C1 ZINC000445211665 332147001 /nfs/dbraw/zinc/14/70/01/332147001.db2.gz KTYBKXWQYZYVHF-VHSXEESVSA-N -1 0 303.318 3.644 20 5 DHBDRM CC(C)c1cccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000179454780 333025197 /nfs/dbraw/zinc/02/51/97/333025197.db2.gz CDZPJDRYQZPGIY-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM CC(C)(CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000318927049 333227235 /nfs/dbraw/zinc/22/72/35/333227235.db2.gz WHQSGWVGPKTTTQ-UHFFFAOYSA-N -1 0 320.267 3.526 20 5 DHBDRM O=C(Nc1ccc(F)c(C2CC2)c1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000355693420 336519473 /nfs/dbraw/zinc/51/94/73/336519473.db2.gz XDCXYDOQPRAAFG-UHFFFAOYSA-N -1 0 316.288 3.569 20 5 DHBDRM Cc1cscc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000182632243 337189199 /nfs/dbraw/zinc/18/91/99/337189199.db2.gz JNSAUCWCCVGBJS-UHFFFAOYSA-N -1 0 312.734 3.576 20 5 DHBDRM CC(C)n1cccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000186035021 337253113 /nfs/dbraw/zinc/25/31/13/337253113.db2.gz DFMJPEZTYWJAEV-UHFFFAOYSA-N -1 0 323.736 3.589 20 5 DHBDRM O=C([O-])c1cc(NC[C@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000571926486 337582108 /nfs/dbraw/zinc/58/21/08/337582108.db2.gz RTOKJMADFMENGE-VIFPVBQESA-N -1 0 314.288 3.530 20 5 DHBDRM CC(C)c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436635424 338280736 /nfs/dbraw/zinc/28/07/36/338280736.db2.gz QEYYKNCGBFPGQK-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM O=C(Nc1cccc(C2CCC2)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436640918 338280914 /nfs/dbraw/zinc/28/09/14/338280914.db2.gz RPNALPCAICGZLO-UHFFFAOYSA-N -1 0 312.325 3.820 20 5 DHBDRM COc1cc(-c2nc3cc(F)ccc3s2)cc([N+](=O)[O-])c1[O-] ZINC000436655923 338281843 /nfs/dbraw/zinc/28/18/43/338281843.db2.gz KPXFTWUXYADRDS-UHFFFAOYSA-N -1 0 320.301 3.725 20 5 DHBDRM CCC(CC)N(CC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436682234 338282625 /nfs/dbraw/zinc/28/26/25/338282625.db2.gz URHXFESQCCJZGT-UHFFFAOYSA-N -1 0 308.378 3.587 20 5 DHBDRM CC(C)CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436717399 338283844 /nfs/dbraw/zinc/28/38/44/338283844.db2.gz WJVHJNOALHKCDR-UHFFFAOYSA-N -1 0 314.341 3.603 20 5 DHBDRM CCC1(CC)CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000436833352 338289198 /nfs/dbraw/zinc/28/91/98/338289198.db2.gz VYHCETYLXNRUSJ-UHFFFAOYSA-N -1 0 320.389 3.733 20 5 DHBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c(Cl)c1 ZINC000436864073 338290340 /nfs/dbraw/zinc/29/03/40/338290340.db2.gz XJIRYUUMTMLLAW-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c1C ZINC000436893615 338292379 /nfs/dbraw/zinc/29/23/79/338292379.db2.gz OHGUTAGJFYWWKJ-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM CCCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436952263 338295594 /nfs/dbraw/zinc/29/55/94/338295594.db2.gz IUTOBUJWHKCOAN-UHFFFAOYSA-N -1 0 300.314 3.505 20 5 DHBDRM CC(C)CCC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436969579 338296302 /nfs/dbraw/zinc/29/63/02/338296302.db2.gz ZBXVUJGHHIJBFG-UHFFFAOYSA-N -1 0 320.389 3.589 20 5 DHBDRM O=C([O-])c1ccc2nc(/C=C\c3ccccc3[N+](=O)[O-])oc2c1 ZINC000439270105 338365486 /nfs/dbraw/zinc/36/54/86/338365486.db2.gz HIANOFJUZYPZMX-VURMDHGXSA-N -1 0 310.265 3.605 20 5 DHBDRM O=C([O-])c1ccc2nc(/C=C/c3ccccc3[N+](=O)[O-])oc2c1 ZINC000439270103 338365510 /nfs/dbraw/zinc/36/55/10/338365510.db2.gz HIANOFJUZYPZMX-SOFGYWHQSA-N -1 0 310.265 3.605 20 5 DHBDRM O=C([O-])c1ccc2oc(/C=C/c3csc([N+](=O)[O-])c3)nc2c1 ZINC000439272550 338365592 /nfs/dbraw/zinc/36/55/92/338365592.db2.gz KXLNPGQOKYXWDL-DAFODLJHSA-N -1 0 316.294 3.666 20 5 DHBDRM O=C([O-])c1ccc2nc(/C=C\c3cccc([N+](=O)[O-])c3)oc2c1 ZINC000439273039 338365593 /nfs/dbraw/zinc/36/55/93/338365593.db2.gz HNCPFZSUGARWLB-DAXSKMNVSA-N -1 0 310.265 3.605 20 5 DHBDRM CC[C@H](CC(F)F)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000457708867 338975851 /nfs/dbraw/zinc/97/58/51/338975851.db2.gz NFQLUJXCNUCQPW-ZCFIWIBFSA-N -1 0 322.695 3.574 20 5 DHBDRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000491571220 339867458 /nfs/dbraw/zinc/86/74/58/339867458.db2.gz BFMKGZUFWARNJN-RYUDHWBXSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1ccc([C@@H](C)N(C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000507189049 340212067 /nfs/dbraw/zinc/21/20/67/340212067.db2.gz HWEAGRIEMFOILF-CYBMUJFWSA-N -1 0 300.358 3.802 20 5 DHBDRM CC(C)c1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1 ZINC000507935363 340236180 /nfs/dbraw/zinc/23/61/80/340236180.db2.gz HVKLUNBRJPRWGN-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM CC[C@@H](C)[C@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000509489342 340271260 /nfs/dbraw/zinc/27/12/60/340271260.db2.gz RLSXCTBEXDRGDH-SFYZADRCSA-N -1 0 300.742 3.575 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc2ccccc2o1 ZINC000195174431 340575611 /nfs/dbraw/zinc/57/56/11/340575611.db2.gz PIKPWLZGSXVAMN-AATRIKPKSA-N -1 0 310.265 3.605 20 5 DHBDRM C[C@H](CCC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000523756577 340638154 /nfs/dbraw/zinc/63/81/54/340638154.db2.gz ZOWWXUIYSJCOTR-GFCCVEGCSA-N -1 0 320.389 3.779 20 5 DHBDRM O=C(CC1=CCCCC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000539782436 340899590 /nfs/dbraw/zinc/89/95/90/340899590.db2.gz YRQSSFXDDQWWSG-UHFFFAOYSA-N -1 0 310.737 3.783 20 5 DHBDRM CCc1ccccc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000541820855 340984893 /nfs/dbraw/zinc/98/48/93/340984893.db2.gz KKUTWWQZDTVFHK-UHFFFAOYSA-N -1 0 320.732 3.769 20 5 DHBDRM Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000073562882 341118309 /nfs/dbraw/zinc/11/83/09/341118309.db2.gz UWUOJJMWJFUOPD-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])Cc1c(F)cccc1F 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DHBDRM CCCC[C@H](CC)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595632381 981854644 /nfs/dbraw/zinc/85/46/44/981854644.db2.gz GAXXMTJZRGAZTF-NSHDSACASA-N -1 0 309.366 3.625 20 5 DHBDRM CC[C@H](C)c1cccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001595013340 982946559 /nfs/dbraw/zinc/94/65/59/982946559.db2.gz HAMMOZAVKZAGKX-JTQLQIEISA-N -1 0 315.329 3.945 20 5 DHBDRM C/C(=C\C(=O)[O-])COc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001588952567 984686726 /nfs/dbraw/zinc/68/67/26/984686726.db2.gz RDFNLPXKUYMQPP-FMIVXFBMSA-N -1 0 313.309 3.672 20 5 DHBDRM C[C@@H](C(=O)[O-])c1cccc(Nc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC001589540567 987245244 /nfs/dbraw/zinc/24/52/44/987245244.db2.gz ZIVGIKYAAKGOFA-MRVPVSSYSA-N -1 0 322.267 3.805 20 5 DHBDRM CCc1cc(Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])ccc1F ZINC001597482752 987982288 /nfs/dbraw/zinc/98/22/88/987982288.db2.gz YNHHVICIXJEJKV-UHFFFAOYSA-N -1 0 304.277 3.738 20 5 DHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(F)cc(Cl)c2[O-])c1 ZINC000474439827 1015361326 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Cc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1C ZINC000538648486 1016152688 /nfs/dbraw/zinc/15/26/88/1016152688.db2.gz MBCDOFGGBYNLMN-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM C[C@H]1CCC[C@@H](CCOc2ccc(C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594346762 999313743 /nfs/dbraw/zinc/31/37/43/999313743.db2.gz RQGMGOQNPPLVAQ-RYUDHWBXSA-N -1 0 307.346 3.888 20 5 DHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cccc(Cl)c2[O-])c1 ZINC000173474280 1018219091 /nfs/dbraw/zinc/21/90/91/1018219091.db2.gz PXYKKBSUULIPMV-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C(/C=C\c1cccc([N+](=O)[O-])c1)Nc1ccc(O)c(Cl)c1 ZINC000255376232 1019416236 /nfs/dbraw/zinc/41/62/36/1019416236.db2.gz YUTHUPYVZOMUOW-DAXSKMNVSA-N -1 0 318.716 3.606 20 5 DHBDRM Cc1ccc(N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000179497138 1020359845 /nfs/dbraw/zinc/35/98/45/1020359845.db2.gz DXYFDUCDURXQAH-UHFFFAOYSA-N -1 0 320.732 3.539 20 5 DHBDRM CCCc1ccc(CNc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001168635475 1020450627 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DHBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccc2ccccc21 ZINC000613905597 1024295028 /nfs/dbraw/zinc/29/50/28/1024295028.db2.gz PRVSATGPFBFUHG-UHFFFAOYSA-N -1 0 322.320 3.730 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1c1cccs1 ZINC000349613936 1024733126 /nfs/dbraw/zinc/73/31/26/1024733126.db2.gz NZTORDKYGUZYRC-CQSZACIVSA-N -1 0 304.371 3.699 20 5 DHBDRM CN(Cc1cccc(Cl)c1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000350077501 1024789262 /nfs/dbraw/zinc/78/92/62/1024789262.db2.gz PBVNAFZMIQHPQB-UHFFFAOYSA-N -1 0 306.749 3.586 20 5 DHBDRM Cc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)ccc1[N+](=O)[O-] ZINC000805256186 1025565059 /nfs/dbraw/zinc/56/50/59/1025565059.db2.gz KDMOKVUEFQPAIG-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CCCC[C@@H](Sc1ccnc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC000565232864 1028559795 /nfs/dbraw/zinc/55/97/95/1028559795.db2.gz FVIKBCKEZQRHAA-CYBMUJFWSA-N -1 0 320.370 3.879 20 5 DHBDRM CCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000011870421 1028906124 /nfs/dbraw/zinc/90/61/24/1028906124.db2.gz QDHVOFUZKMKGOK-UHFFFAOYSA-N -1 0 300.314 3.505 20 5 DHBDRM C[C@@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000042315783 1028963212 /nfs/dbraw/zinc/96/32/12/1028963212.db2.gz WCRMKIIUHFHICE-VIFPVBQESA-N -1 0 306.343 3.552 20 5 DHBDRM O=C(Nc1ccc2sccc2c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001135859782 1029116798 /nfs/dbraw/zinc/11/67/98/1029116798.db2.gz AZZFYLPOTCZSMO-UHFFFAOYSA-N -1 0 314.322 3.767 20 5 DHBDRM O=C([O-])[C@H]1C[C@@]12CCc1cc(-c3cccc([N+](=O)[O-])c3)ccc12 ZINC000569239682 1029201458 /nfs/dbraw/zinc/20/14/58/1029201458.db2.gz ZEHGZABCZABXMB-SJLPKXTDSA-N -1 0 309.321 3.550 20 5 DHBDRM O=C([O-])C1(c2cccc(-c3ccc([N+](=O)[O-])nc3)c2)CCCC1 ZINC000570827954 1029427257 /nfs/dbraw/zinc/42/72/57/1029427257.db2.gz SBAGXHLNLCOCAA-UHFFFAOYSA-N -1 0 312.325 3.553 20 5 DHBDRM C[C@H](c1ccc(F)cc1)N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000557318325 1030092143 /nfs/dbraw/zinc/09/21/43/1030092143.db2.gz VXXWONPLULXLSM-SNVBAGLBSA-N -1 0 318.304 3.630 20 5 DHBDRM C[C@@H](CCC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001136774387 1030386709 /nfs/dbraw/zinc/38/67/09/1030386709.db2.gz YPHRDXYEUUUFMP-LBPRGKRZSA-N -1 0 320.389 3.779 20 5 DHBDRM CSCCCCCCC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000860439651 1033384035 /nfs/dbraw/zinc/38/40/35/1033384035.db2.gz CXQSOIAFXZCGAA-UHFFFAOYSA-N -1 0 312.391 3.552 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1[O-] ZINC000478984472 1033631148 /nfs/dbraw/zinc/63/11/48/1033631148.db2.gz DESDOMMAPKEJCP-UHFFFAOYSA-N -1 0 317.688 3.671 20 5 DHBDRM CC(C)c1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cn1 ZINC001174503123 1034461709 /nfs/dbraw/zinc/46/17/09/1034461709.db2.gz VACUQPLJHUYXKX-UHFFFAOYSA-N -1 0 301.302 3.555 20 5 DHBDRM Cc1cc(C)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1C ZINC001174504880 1034462158 /nfs/dbraw/zinc/46/21/58/1034462158.db2.gz JIIASDLWGLLAAQ-UHFFFAOYSA-N -1 0 300.314 3.962 20 5 DHBDRM Cc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(F)c1F ZINC001174507619 1034464923 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CC(C)(CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000535502732 1035665359 /nfs/dbraw/zinc/66/53/59/1035665359.db2.gz OTKDTEUXSQPTCU-UHFFFAOYSA-N -1 0 314.341 3.607 20 5 DHBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775632226 1036119607 /nfs/dbraw/zinc/11/96/07/1036119607.db2.gz XBOGLIVPDVAMQI-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CC(C)N(Cc1cc([O-])ccc1[N+](=O)[O-])c1cccc(F)c1 ZINC001196285416 1036497161 /nfs/dbraw/zinc/49/71/61/1036497161.db2.gz LSIABZMRQYHCQD-UHFFFAOYSA-N -1 0 304.321 3.855 20 5 DHBDRM O=C([O-])c1cc(N[C@@H]2CCSC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000910335333 1036835448 /nfs/dbraw/zinc/83/54/48/1036835448.db2.gz TWXUNNSEVQXEKT-LLVKDONJSA-N -1 0 322.386 3.523 20 5 DHBDRM CCc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1CC ZINC000489522210 1037469640 /nfs/dbraw/zinc/46/96/40/1037469640.db2.gz LJDKVJJDVSMCDR-UHFFFAOYSA-N -1 0 314.341 3.678 20 5 DHBDRM C[C@@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1c(F)cccc1F ZINC000917095054 1038199510 /nfs/dbraw/zinc/19/95/10/1038199510.db2.gz XMLHIEFKCHPFNJ-MRVPVSSYSA-N -1 0 322.267 3.744 20 5 DHBDRM O=C(N[C@H]1CCCC12CCCCC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000597874956 1040925230 /nfs/dbraw/zinc/92/52/30/1040925230.db2.gz TVYGUKYMVQFQJE-AWEZNQCLSA-N -1 0 318.373 3.533 20 5 DHBDRM Cc1oc2ccccc2c1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000340182217 131013969 /nfs/dbraw/zinc/01/39/69/131013969.db2.gz WUYRNPXEJQAZTN-VOTSOKGWSA-N -1 0 324.292 3.913 20 5 DHBDRM Cc1cnc([N-]c2ccn([C@H](C)c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000610735281 435356101 /nfs/dbraw/zinc/35/61/01/435356101.db2.gz SWOAQBTVDWCIIK-CYBMUJFWSA-N -1 0 323.356 3.848 20 5 DHBDRM CC[C@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC000570805577 332819761 /nfs/dbraw/zinc/81/97/61/332819761.db2.gz UTHQRUABYDYMDU-ZDUSSCGKSA-N -1 0 315.329 3.560 20 5 DHBDRM Cc1cc(N[C@H]2CCCC(F)(F)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583937586 331476038 /nfs/dbraw/zinc/47/60/38/331476038.db2.gz SHOWLGIFYHHHCW-VIFPVBQESA-N -1 0 314.288 3.591 20 5 DHBDRM Cc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc(C)c1Cl ZINC000583997945 331540083 /nfs/dbraw/zinc/54/00/83/331540083.db2.gz ZUWGLPLMSCGXIE-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM CC[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000559921684 332294171 /nfs/dbraw/zinc/29/41/71/332294171.db2.gz ALTBRXGOJMBEBW-LBPRGKRZSA-N -1 0 314.341 3.823 20 5 DHBDRM CC(C)(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000560760275 332384633 /nfs/dbraw/zinc/38/46/33/332384633.db2.gz DUOAMEKBELSDKG-UHFFFAOYSA-N -1 0 320.370 3.912 20 5 DHBDRM Cc1ccc(-c2ccccc2CC2(C(=O)[O-])CC2)cc1[N+](=O)[O-] ZINC000579614424 332452574 /nfs/dbraw/zinc/45/25/74/332452574.db2.gz CHXRBJWQZOYHNO-UHFFFAOYSA-N -1 0 311.337 3.978 20 5 DHBDRM CCC(CC)N(CC(C)C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000318655861 333198544 /nfs/dbraw/zinc/19/85/44/333198544.db2.gz GUSAUTCFHPITJK-UHFFFAOYSA-N -1 0 308.378 3.587 20 5 DHBDRM Cc1cc(N[C@H](C)CCc2ccco2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000564571964 333468385 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CC(C)CCC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436886562 338291788 /nfs/dbraw/zinc/29/17/88/338291788.db2.gz LTMSFWZYUSWVTL-UHFFFAOYSA-N -1 0 320.389 3.589 20 5 DHBDRM O=C([O-])c1cccc2oc(/C=C/c3ccccc3[N+](=O)[O-])nc21 ZINC000439269083 338365545 /nfs/dbraw/zinc/36/55/45/338365545.db2.gz CGFWNNYWYXRUJT-CMDGGOBGSA-N -1 0 310.265 3.605 20 5 DHBDRM CC(C)C[C@@H]1CCCCCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000440936948 338400070 /nfs/dbraw/zinc/40/00/70/338400070.db2.gz NUDILKRGKXCNCK-AWEZNQCLSA-N -1 0 320.389 3.731 20 5 DHBDRM CCN(Cc1ccccc1C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000507122920 340208385 /nfs/dbraw/zinc/20/83/85/340208385.db2.gz VZRYZLPJLQHSHJ-UHFFFAOYSA-N -1 0 300.358 3.631 20 5 DHBDRM CC[C@H](C)[C@@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000509489341 340271244 /nfs/dbraw/zinc/27/12/44/340271244.db2.gz RLSXCTBEXDRGDH-JGVFFNPUSA-N -1 0 300.742 3.575 20 5 DHBDRM CC[C@@H](C)[C@@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000509489340 340271302 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O=C([O-])c1cc(NCc2ccc(Cl)c([N+](=O)[O-])c2)ccc1F ZINC000833300069 602162436 /nfs/dbraw/zinc/16/24/36/602162436.db2.gz JMFRJAPWJPAXSL-UHFFFAOYSA-N -1 0 324.695 3.698 20 5 DHBDRM Cc1cc(Nc2ccc(CN(C)C(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000833747483 604828282 /nfs/dbraw/zinc/82/82/82/604828282.db2.gz ZTCSIDHUJVXKLF-UHFFFAOYSA-N -1 0 315.329 3.757 20 5 DHBDRM Cc1cc([C@@H](C)Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c(C)o1 ZINC001262497644 960848204 /nfs/dbraw/zinc/84/82/04/960848204.db2.gz OTROSZFXSZCMIM-SNVBAGLBSA-N -1 0 318.329 3.605 20 5 DHBDRM Cc1cc(N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC001574343404 960952700 /nfs/dbraw/zinc/95/27/00/960952700.db2.gz UMBXWCRERSPWFL-CABCVRRESA-N -1 0 312.325 3.628 20 5 DHBDRM O=C([O-])Cc1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000048802619 967531075 /nfs/dbraw/zinc/53/10/75/967531075.db2.gz DVSLCIBQMOEPND-UHFFFAOYSA-N -1 0 307.689 3.668 20 5 DHBDRM O=C1CCCCc2c(Nc3ccc([O-])c([N+](=O)[O-])c3)cccc21 ZINC001210397525 1013831933 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CCc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1Cl ZINC000581599617 1015036348 /nfs/dbraw/zinc/03/63/48/1015036348.db2.gz PCFPIMQWLVTTMU-UHFFFAOYSA-N -1 0 320.732 3.769 20 5 DHBDRM C[C@H](Sc1nc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC001599905957 984922659 /nfs/dbraw/zinc/92/26/59/984922659.db2.gz KPDYWCXBBHHKMY-VIFPVBQESA-N -1 0 304.327 3.541 20 5 DHBDRM CC(C)(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC(=O)[O-] ZINC001590774272 990577342 /nfs/dbraw/zinc/57/73/42/990577342.db2.gz NBQOCUAECYGGIE-UHFFFAOYSA-N -1 0 320.267 3.526 20 5 DHBDRM CC(C)[C@H]1CCC[C@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001591089334 991632674 /nfs/dbraw/zinc/63/26/74/991632674.db2.gz VQIDYWUSGJLQDD-AAEUAGOBSA-N -1 0 306.362 3.920 20 5 DHBDRM CN(Cc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1C(=O)[O-] ZINC001598517522 992635172 /nfs/dbraw/zinc/63/51/72/992635172.db2.gz AQTPHQGSUHGJLY-UHFFFAOYSA-N -1 0 320.732 3.583 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(F)c(Cl)c1 ZINC000535893476 1015992435 /nfs/dbraw/zinc/99/24/35/1015992435.db2.gz YEFCARDOBDBKGI-DUXPYHPUSA-N -1 0 322.679 3.651 20 5 DHBDRM C[C@@H](SCc1nc(C(=O)[O-])cs1)c1cccc([N+](=O)[O-])c1 ZINC001593662777 996043072 /nfs/dbraw/zinc/04/30/72/996043072.db2.gz FQVBTMCWBHAYFD-MRVPVSSYSA-N -1 0 324.383 3.744 20 5 DHBDRM CC1(C)CCC[C@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001593899553 996764569 /nfs/dbraw/zinc/76/45/69/996764569.db2.gz NVCODOPYFBBOLF-LBPRGKRZSA-N -1 0 306.362 3.603 20 5 DHBDRM CC1(C)CCC[C@@H](Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001593899552 996764644 /nfs/dbraw/zinc/76/46/44/996764644.db2.gz NVCODOPYFBBOLF-GFCCVEGCSA-N -1 0 306.362 3.603 20 5 DHBDRM CC1(C)CCCC[C@@H]1COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001593904039 996779983 /nfs/dbraw/zinc/77/99/83/996779983.db2.gz XDRFNZHKYZHAQK-LLVKDONJSA-N -1 0 307.346 3.888 20 5 DHBDRM CC1(CSc2nccc(C(=O)[O-])c2[N+](=O)[O-])CCCCC1 ZINC001594038861 997643610 /nfs/dbraw/zinc/64/36/10/997643610.db2.gz HDDLKKUHZIKAKT-UHFFFAOYSA-N -1 0 310.375 3.751 20 5 DHBDRM CN(Cc1ccccc1Cl)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000350097252 1012443552 /nfs/dbraw/zinc/44/35/52/1012443552.db2.gz GPDLAOFYJUDVRI-UHFFFAOYSA-N -1 0 306.749 3.586 20 5 DHBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416294620 1022241991 /nfs/dbraw/zinc/24/19/91/1022241991.db2.gz SAWXAXSXIUQYIV-LSDHHAIUSA-N -1 0 320.389 3.587 20 5 DHBDRM C[C@@H]1C[C@@H](Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2ccccc21 ZINC001169380983 1022376871 /nfs/dbraw/zinc/37/68/71/1022376871.db2.gz RMSXEHYXIYMCQJ-MEBBXXQBSA-N -1 0 312.325 3.953 20 5 DHBDRM CC(C)(CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000183909801 1022547383 /nfs/dbraw/zinc/54/73/83/1022547383.db2.gz OFRMBBAWHOAKEN-UHFFFAOYSA-N -1 0 314.341 3.607 20 5 DHBDRM CC(C)Cc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000790819695 1024384355 /nfs/dbraw/zinc/38/43/55/1024384355.db2.gz KQRKAOWOLNCKNO-UHFFFAOYSA-N -1 0 314.341 3.751 20 5 DHBDRM O=C([O-])c1ccnc(/C=C\c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000585728121 1024573500 /nfs/dbraw/zinc/57/35/00/1024573500.db2.gz PURVPTUUXDSLRB-IWQZZHSRSA-N -1 0 304.689 3.512 20 5 DHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(C2CCC2)cc1 ZINC000792447015 1024670792 /nfs/dbraw/zinc/67/07/92/1024670792.db2.gz OVWYZRNPMSOXMS-UHFFFAOYSA-N -1 0 312.325 3.820 20 5 DHBDRM CCC[C@@H]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001299371517 1024767825 /nfs/dbraw/zinc/76/78/25/1024767825.db2.gz ACIIVGWELAYLNZ-CHWSQXEVSA-N -1 0 320.389 3.637 20 5 DHBDRM Cc1sc(/C=C/c2ccc([N+](=O)[O-])c(Cl)c2)nc1C(=O)[O-] ZINC000806572680 1025928593 /nfs/dbraw/zinc/92/85/93/1025928593.db2.gz MTIGDNUAFWKNLI-HWKANZROSA-N -1 0 324.745 3.882 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN(CC1CC1)c1cccc(F)c1 ZINC000600856844 1027868442 /nfs/dbraw/zinc/86/84/42/1027868442.db2.gz RGJNLLXRTIEKLN-UHFFFAOYSA-N -1 0 316.332 3.856 20 5 DHBDRM C[C@H](c1cccs1)N(C)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000042315785 1028964678 /nfs/dbraw/zinc/96/46/78/1028964678.db2.gz WCRMKIIUHFHICE-SECBINFHSA-N -1 0 306.343 3.552 20 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/nfs/dbraw/zinc/46/64/29/1034466429.db2.gz WAKKSSAOMAVRBD-UHFFFAOYSA-N -1 0 322.704 3.704 20 5 DHBDRM Nc1cccc2cccc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)c12 ZINC001174508069 1034466843 /nfs/dbraw/zinc/46/68/43/1034466843.db2.gz WCZMNYGYFISIOZ-UHFFFAOYSA-N -1 0 323.308 3.772 20 5 DHBDRM Cc1ccnc2c(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cccc12 ZINC001174507648 1034466899 /nfs/dbraw/zinc/46/68/99/1034466899.db2.gz QLCCCNLBBJJXPA-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM Cc1ccc(CCCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000483452488 1035270201 /nfs/dbraw/zinc/27/02/01/1035270201.db2.gz XTZPADOSPJSRHW-UHFFFAOYSA-N -1 0 314.341 3.570 20 5 DHBDRM Cc1cccc2ccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)nc12 ZINC001176673218 1035311519 /nfs/dbraw/zinc/31/15/19/1035311519.db2.gz UQDXWKXLPCRKCC-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM Cc1ccc2cc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)ccc2n1 ZINC001176676796 1035311825 /nfs/dbraw/zinc/31/18/25/1035311825.db2.gz JBNRTQCUCURVDV-UHFFFAOYSA-N -1 0 323.308 3.893 20 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/nfs/dbraw/zinc/31/32/26/1035313226.db2.gz RLQVWFWNKLULBW-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM CC[C@H](C)n1nc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C ZINC000775699962 1036472525 /nfs/dbraw/zinc/47/25/25/1036472525.db2.gz JWXLLFCGNJRXLC-VIFPVBQESA-N -1 0 319.321 3.723 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CSc1nncc2ccccc21 ZINC001188599354 1037928005 /nfs/dbraw/zinc/92/80/05/1037928005.db2.gz XAZHVAOXMUWZQK-UHFFFAOYSA-N -1 0 313.338 3.536 20 5 DHBDRM O=S(=O)([N-]c1cccc2cc3ccccc3cc21)c1ncc[nH]1 ZINC001190728430 1038374790 /nfs/dbraw/zinc/37/47/90/1038374790.db2.gz WVWASHNQBNCTBB-UHFFFAOYSA-N -1 0 323.377 3.517 20 5 DHBDRM Cc1cc([C@@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C2CC2)ccc1F ZINC000596176817 1040336153 /nfs/dbraw/zinc/33/61/53/1040336153.db2.gz GEJBOKBJCDWDMG-AWEZNQCLSA-N -1 0 317.320 3.706 20 5 DHBDRM Cc1ccc(Cl)cc1N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000584132526 331840396 /nfs/dbraw/zinc/84/03/96/331840396.db2.gz DMJWDEWGHZCQDR-UHFFFAOYSA-N -1 0 320.732 3.539 20 5 DHBDRM Cc1c(NC(=O)c2ccc(Cl)cc2[O-])cccc1[N+](=O)[O-] ZINC000436755344 333997392 /nfs/dbraw/zinc/99/73/92/333997392.db2.gz LGCIZOZUELOQKP-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCCCc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000324243289 336115549 /nfs/dbraw/zinc/11/55/49/336115549.db2.gz GLWJCZLNUSKERL-UHFFFAOYSA-N -1 0 314.341 3.895 20 5 DHBDRM CC(C)CCn1ccc([N-]c2ncc(Cl)cc2[N+](=O)[O-])n1 ZINC000302018370 336343430 /nfs/dbraw/zinc/34/34/30/336343430.db2.gz GNXPSHFTINXJRY-UHFFFAOYSA-N -1 0 309.757 3.629 20 5 DHBDRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000360705084 336719547 /nfs/dbraw/zinc/71/95/47/336719547.db2.gz NIKDSKSFRBVCBI-WCQYABFASA-N -1 0 320.389 3.587 20 5 DHBDRM CCc1ccc(CC)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000119105286 337854526 /nfs/dbraw/zinc/85/45/26/337854526.db2.gz ZRHWJGCBNNDDRN-UHFFFAOYSA-N -1 0 314.341 3.678 20 5 DHBDRM CSc1ccc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000089531433 337870957 /nfs/dbraw/zinc/87/09/57/337870957.db2.gz FCBADCGCFFLYGX-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM CCCn1c2ccc(F)cc2nc1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436657130 338281884 /nfs/dbraw/zinc/28/18/84/338281884.db2.gz PYWCGYIFKBFKOI-UHFFFAOYSA-N -1 0 315.304 3.866 20 5 DHBDRM Cc1cc(Cl)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436673395 338282330 /nfs/dbraw/zinc/28/23/30/338282330.db2.gz JXUCLTSPYQONPA-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000436676207 338282522 /nfs/dbraw/zinc/28/25/22/338282522.db2.gz ODESLGLWHPMWSZ-UHFFFAOYSA-N -1 0 320.732 3.769 20 5 DHBDRM CC(C)CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccccc1 ZINC000436705947 338283516 /nfs/dbraw/zinc/28/35/16/338283516.db2.gz BCLUETHMGLNRPO-UHFFFAOYSA-N -1 0 314.341 3.603 20 5 DHBDRM CC(C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436862094 338290417 /nfs/dbraw/zinc/29/04/17/338290417.db2.gz XJJSEHAQXLELRK-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(Cl)cs1 ZINC000447368260 338550736 /nfs/dbraw/zinc/55/07/36/338550736.db2.gz QSWCGUDYDTUAHK-UPHRSURJSA-N -1 0 310.718 3.573 20 5 DHBDRM CC(=C\c1ccccc1)/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000508597099 340247368 /nfs/dbraw/zinc/24/73/68/340247368.db2.gz GLRLQPVUNREWCH-HVTAIUIQSA-N -1 0 310.309 3.805 20 5 DHBDRM CCc1oc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1C ZINC000509227220 340264134 /nfs/dbraw/zinc/26/41/34/340264134.db2.gz ZFSMPCBILQQUKD-UHFFFAOYSA-N -1 0 324.720 3.670 20 5 DHBDRM O=C(CCc1ccccc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000539746108 340898591 /nfs/dbraw/zinc/89/85/91/340898591.db2.gz DLXCKFHFAXRDIP-UHFFFAOYSA-N -1 0 320.732 3.525 20 5 DHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000077011945 341217178 /nfs/dbraw/zinc/21/71/78/341217178.db2.gz IDKLPMNRPYBANE-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1ccc(CNc2cc(C(=O)[O-])c(C)cc2C)cc1[N+](=O)[O-] ZINC000551057795 341330434 /nfs/dbraw/zinc/33/04/34/341330434.db2.gz CJKJDJFHTMUSOG-UHFFFAOYSA-N -1 0 314.341 3.830 20 5 DHBDRM O=C([O-])/C=C\c1ccc(Sc2cccs2)c([N+](=O)[O-])c1 ZINC000739627390 600177906 /nfs/dbraw/zinc/17/79/06/600177906.db2.gz YQEKRMBWIHHJHR-XQRVVYSFSA-N -1 0 307.352 3.905 20 5 DHBDRM O=C([O-])/C=C/c1ccc(Sc2cccs2)c([N+](=O)[O-])c1 ZINC000739627389 600178046 /nfs/dbraw/zinc/17/80/46/600178046.db2.gz YQEKRMBWIHHJHR-GQCTYLIASA-N -1 0 307.352 3.905 20 5 DHBDRM O=C([O-])c1cc(OCc2ccc(Cl)s2)ccc1[N+](=O)[O-] ZINC000236478941 600441070 /nfs/dbraw/zinc/44/10/70/600441070.db2.gz JJTSXCCYRCVNMS-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM Cc1csc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000563206987 602316460 /nfs/dbraw/zinc/31/64/60/602316460.db2.gz UDRVYGZQUWLEHC-SECBINFHSA-N -1 0 321.358 3.539 20 5 DHBDRM CC(C)C(CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC001349485601 962467551 /nfs/dbraw/zinc/46/75/51/962467551.db2.gz AMRYQEVGIBNHIX-UHFFFAOYSA-N -1 0 308.378 3.562 20 5 DHBDRM Cc1ccc([N+](=O)[O-])c(Nc2cccc(CCC(=O)[O-])c2)c1 ZINC001605309653 973128092 /nfs/dbraw/zinc/12/80/92/973128092.db2.gz GNPNHNVIALORHO-UHFFFAOYSA-N -1 0 300.314 3.664 20 5 DHBDRM CCCC[C@H](Sc1c2ccccc2ncc1[N+](=O)[O-])C(=O)[O-] ZINC000563433220 974531044 /nfs/dbraw/zinc/53/10/44/974531044.db2.gz SLFNOMVGGQKLMI-ZDUSSCGKSA-N -1 0 320.370 3.879 20 5 DHBDRM CC(C)c1cccc(COc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC001591991825 976619766 /nfs/dbraw/zinc/61/97/66/976619766.db2.gz LCZNNTPQQHNMAW-UHFFFAOYSA-N -1 0 315.325 3.995 20 5 DHBDRM C[C@@H](CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C ZINC001592530966 978403275 /nfs/dbraw/zinc/40/32/75/978403275.db2.gz OYEFDJLGPGAOTC-JTQLQIEISA-N -1 0 309.366 3.562 20 5 DHBDRM Cc1oc2ccccc2c1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000184834954 1014499418 /nfs/dbraw/zinc/49/94/18/1014499418.db2.gz SAEXYLGZLPECGY-UHFFFAOYSA-N -1 0 312.281 3.607 20 5 DHBDRM CC[C@@H]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001595435894 981066899 /nfs/dbraw/zinc/06/68/99/981066899.db2.gz MZRXYDAIQVYLQT-NEPJUHHUSA-N -1 0 306.362 3.982 20 5 DHBDRM CCCCC[C@@H](C)CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595666833 982108164 /nfs/dbraw/zinc/10/81/64/982108164.db2.gz UFJAYDWKOSGYLP-LLVKDONJSA-N -1 0 323.345 3.805 20 5 DHBDRM C=Cc1ccc(CCNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])cc1 ZINC001588921584 984579189 /nfs/dbraw/zinc/57/91/89/984579189.db2.gz IFXUVDZKDPDODF-UHFFFAOYSA-N -1 0 312.325 3.591 20 5 DHBDRM CC(C)(C)C(C)(C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001589699814 987787534 /nfs/dbraw/zinc/78/75/34/987787534.db2.gz GZPWERGUHLXVNJ-UHFFFAOYSA-N -1 0 308.378 3.706 20 5 DHBDRM C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC001599842430 988866958 /nfs/dbraw/zinc/86/69/58/988866958.db2.gz MTFWSNMQODXMGW-MRVPVSSYSA-N -1 0 321.720 3.515 20 5 DHBDRM COc1cccc([C@@H](Sc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001599660921 994655128 /nfs/dbraw/zinc/65/51/28/994655128.db2.gz ITLAFONNDZOYRJ-CQSZACIVSA-N -1 0 319.338 3.521 20 5 DHBDRM CCSc1cccc(F)c1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000362177790 1032263322 /nfs/dbraw/zinc/26/33/22/1032263322.db2.gz ATXRJZCMZMUJIA-UHFFFAOYSA-N -1 0 310.306 3.691 20 5 DHBDRM CC[C@@H](C)C[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001147862647 1032349635 /nfs/dbraw/zinc/34/96/35/1032349635.db2.gz WJJXRDKSKOOSET-RKDXNWHRSA-N -1 0 314.769 3.508 20 5 DHBDRM Cn1c(-c2ccc([O-])c([N+](=O)[O-])c2)nc2cccc(Cl)c21 ZINC000436654511 1012759608 /nfs/dbraw/zinc/75/96/08/1012759608.db2.gz FQBCPUYGXFJILC-UHFFFAOYSA-N -1 0 303.705 3.508 20 5 DHBDRM Cc1cc(C(=O)Nc2cccc(Cl)c2[O-])ccc1[N+](=O)[O-] ZINC000172111822 1018012672 /nfs/dbraw/zinc/01/26/72/1018012672.db2.gz WYVZTRUENHRURW-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1sc(C(=O)Nc2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC000077012873 1019215632 /nfs/dbraw/zinc/21/56/32/1019215632.db2.gz UCNSJKQMBXUYEI-UHFFFAOYSA-N -1 0 312.734 3.576 20 5 DHBDRM C[C@@H](c1ccco1)N(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000092483270 1019515776 /nfs/dbraw/zinc/51/57/76/1019515776.db2.gz LUHFMEQTZXSOBW-NSHDSACASA-N -1 0 302.330 3.619 20 5 DHBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(F)cc1Cl ZINC000729906527 1019922322 /nfs/dbraw/zinc/92/23/22/1019922322.db2.gz HTHLGXWIZWEWRW-SSDOTTSWSA-N -1 0 312.684 3.633 20 5 DHBDRM Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000734085822 1020558713 /nfs/dbraw/zinc/55/87/13/1020558713.db2.gz BHDBTWIRBQJKIQ-ZFWWWQNUSA-N -1 0 314.341 3.724 20 5 DHBDRM CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(F)cc1F ZINC000739273958 1020901605 /nfs/dbraw/zinc/90/16/05/1020901605.db2.gz PIYAKCZYNDZEBA-LBPRGKRZSA-N -1 0 310.256 3.509 20 5 DHBDRM Cn1c2ccc(Cl)cc2nc1-c1ccc([N+](=O)[O-])c([O-])c1 ZINC000498550941 1021705081 /nfs/dbraw/zinc/70/50/81/1021705081.db2.gz YKNWEUOSERNBFG-UHFFFAOYSA-N -1 0 303.705 3.508 20 5 DHBDRM Cc1cc(C)c([C@@H](C)OC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000920161354 1022065563 /nfs/dbraw/zinc/06/55/63/1022065563.db2.gz KLIYCHQTXKWFME-GFCCVEGCSA-N -1 0 302.330 3.766 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc(Cl)cs1 ZINC000195335369 1022126985 /nfs/dbraw/zinc/12/69/85/1022126985.db2.gz QSWCGUDYDTUAHK-OWOJBTEDSA-N -1 0 310.718 3.573 20 5 DHBDRM Cc1ccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000920957452 1022195915 /nfs/dbraw/zinc/19/59/15/1022195915.db2.gz CRXSSKVWMRKFFB-CLFYSBASSA-N -1 0 312.325 3.613 20 5 DHBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416288126 1022236940 /nfs/dbraw/zinc/23/69/40/1022236940.db2.gz KPMHQVRGVSYWRE-KBPBESRZSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1ccc(CCCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000183919969 1022551148 /nfs/dbraw/zinc/55/11/48/1022551148.db2.gz TZROUIHDGHJSQT-UHFFFAOYSA-N -1 0 320.370 3.632 20 5 DHBDRM O=[N+]([O-])c1cc(Cl)cnc1[N-]c1ccn(-c2ccccc2)n1 ZINC000771916706 1023489343 /nfs/dbraw/zinc/48/93/43/1023489343.db2.gz DRGYNEFDILBIJC-UHFFFAOYSA-N -1 0 315.720 3.573 20 5 DHBDRM CN(Cc1cc2ccccc2o1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000093689103 1023816904 /nfs/dbraw/zinc/81/69/04/1023816904.db2.gz AOQCZJHFHJGADK-UHFFFAOYSA-N -1 0 312.325 3.679 20 5 DHBDRM CSc1ccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000339157209 1024576711 /nfs/dbraw/zinc/57/67/11/1024576711.db2.gz XRHYSMZYLYFKFR-LLVKDONJSA-N -1 0 318.398 3.873 20 5 DHBDRM Cc1cc(NCCCCCC(=O)[O-])c(Cl)cc1[N+](=O)[O-] ZINC000841504657 1024710725 /nfs/dbraw/zinc/71/07/25/1024710725.db2.gz JSRUDWKONCRKLG-UHFFFAOYSA-N -1 0 300.742 3.614 20 5 DHBDRM C[C@H](OC(=O)c1cc([S-])ccc1F)c1cccc([N+](=O)[O-])c1 ZINC000798724255 1024744242 /nfs/dbraw/zinc/74/42/42/1024744242.db2.gz NYYWIZHHLWZFMT-VIFPVBQESA-N -1 0 321.329 3.941 20 5 DHBDRM C[C@@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000354041186 1025330320 /nfs/dbraw/zinc/33/03/20/1025330320.db2.gz REMJJKRCTONMNI-WBMJQRKESA-N -1 0 316.357 3.867 20 5 DHBDRM Cc1ccc(N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])cc1Cl ZINC000137070871 1025497413 /nfs/dbraw/zinc/49/74/13/1025497413.db2.gz QFXVQWFAGIEBLY-UHFFFAOYSA-N -1 0 320.732 3.539 20 5 DHBDRM CC(C)CC1(C)CCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000356426958 1026050347 /nfs/dbraw/zinc/05/03/47/1026050347.db2.gz KMLIOVVHJJFIOV-UHFFFAOYSA-N -1 0 320.389 3.589 20 5 DHBDRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000360687717 1031522416 /nfs/dbraw/zinc/52/24/16/1031522416.db2.gz GFGPIXVHDSHSRA-YPMHNXCESA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1cccc2cc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)oc21 ZINC000361658719 1032043230 /nfs/dbraw/zinc/04/32/30/1032043230.db2.gz YEOBZWGNTBTJND-UHFFFAOYSA-N -1 0 312.281 3.607 20 5 DHBDRM COc1cc(Cl)ccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504940 1034461654 /nfs/dbraw/zinc/46/16/54/1034461654.db2.gz LYIXGSQCTZVRTI-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM Cc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc(C)c1F ZINC001174507642 1034464731 /nfs/dbraw/zinc/46/47/31/1034464731.db2.gz QDJLJOJDCINFCX-UHFFFAOYSA-N -1 0 304.277 3.793 20 5 DHBDRM CCC[C@H](C)c1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)on1 ZINC001176671660 1035309861 /nfs/dbraw/zinc/30/98/61/1035309861.db2.gz BDEYTNXHOVPJQE-VIFPVBQESA-N -1 0 319.317 3.928 20 5 DHBDRM Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nc2ccccc12 ZINC001176671825 1035311016 /nfs/dbraw/zinc/31/10/16/1035311016.db2.gz FBQTUTVQQRMXQY-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM COc1cccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1Cl ZINC001176679789 1035312521 /nfs/dbraw/zinc/31/25/21/1035312521.db2.gz NNWLSXHEIGVROX-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM CCOc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC001176678786 1035313180 /nfs/dbraw/zinc/31/31/80/1035313180.db2.gz BXGVTLCMGYHNBD-UHFFFAOYSA-N -1 0 320.276 3.574 20 5 DHBDRM CCc1ccc([C@@H](C)C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000166067998 1038638119 /nfs/dbraw/zinc/63/81/19/1038638119.db2.gz UFLDXEKLYFHSAZ-LLVKDONJSA-N -1 0 314.341 3.605 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CNC1(c2cccc(F)c2)CCC1 ZINC000592145714 1039143609 /nfs/dbraw/zinc/14/36/09/1039143609.db2.gz YCTRTHOFQLXUEK-UHFFFAOYSA-N -1 0 316.332 3.609 20 5 DHBDRM CCCC[C@H](Sc1nccc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC000594736313 1039903619 /nfs/dbraw/zinc/90/36/19/1039903619.db2.gz PMJZJGQSPCQQAU-ZDUSSCGKSA-N -1 0 320.370 3.879 20 5 DHBDRM CC(C)(C)c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000036342684 182817119 /nfs/dbraw/zinc/81/71/19/182817119.db2.gz YCNQUFFOZVXQJM-UHFFFAOYSA-N -1 0 314.341 3.850 20 5 DHBDRM O=C(N[C@H]1CCCCC12CCCC2)c1cccc([O-])c1[N+](=O)[O-] ZINC000292080259 131622228 /nfs/dbraw/zinc/62/22/28/131622228.db2.gz DNNOTEPDXHZWGQ-AWEZNQCLSA-N -1 0 318.373 3.533 20 5 DHBDRM CC(C)CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000557760042 331814037 /nfs/dbraw/zinc/81/40/37/331814037.db2.gz BVKOLDLTIQYMNJ-UHFFFAOYSA-N -1 0 314.341 3.603 20 5 DHBDRM C[C@H]1CCC[C@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)C1 ZINC000445211663 332146897 /nfs/dbraw/zinc/14/68/97/332146897.db2.gz KTYBKXWQYZYVHF-UWVGGRQHSA-N -1 0 303.318 3.644 20 5 DHBDRM CC(C)CC1(CNC(=O)c2cc([O-])ccc2[N+](=O)[O-])CCCC1 ZINC000391798483 335106526 /nfs/dbraw/zinc/10/65/26/335106526.db2.gz FHHXMFQEKUBFHR-UHFFFAOYSA-N -1 0 320.389 3.637 20 5 DHBDRM CC(C)c1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])c1 ZINC000184699470 333364988 /nfs/dbraw/zinc/36/49/88/333364988.db2.gz IVOVPHVOOVPHCN-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM CSc1ccc(Cl)cc1[N-]C(=O)c1ccc([N+](=O)[O-])o1 ZINC000049319129 334325358 /nfs/dbraw/zinc/32/53/58/334325358.db2.gz GGQQXTRADNNXRX-UHFFFAOYSA-N -1 0 312.734 3.815 20 5 DHBDRM O=C([O-])c1cccc(/C=C\c2ccc([N+](=O)[O-])cn2)c1Cl ZINC000345730188 335346429 /nfs/dbraw/zinc/34/64/29/335346429.db2.gz ZAWNUENNVMOFHS-PLNGDYQASA-N -1 0 304.689 3.512 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc2occc2c1 ZINC000349108524 335635195 /nfs/dbraw/zinc/63/51/95/335635195.db2.gz LMDYMTWRYZROLZ-HNQUOIGGSA-N -1 0 310.265 3.605 20 5 DHBDRM CSc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1C ZINC000356764999 336560312 /nfs/dbraw/zinc/56/03/12/336560312.db2.gz CUESTWHHKWTYFT-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccsc1Cl ZINC000358650434 336638272 /nfs/dbraw/zinc/63/82/72/336638272.db2.gz LABYTFIALSZGFW-OWOJBTEDSA-N -1 0 310.718 3.573 20 5 DHBDRM O=C(Nc1cc(-c2ccccc2)on1)c1csc([N+](=O)[O-])c1 ZINC000173068542 337131895 /nfs/dbraw/zinc/13/18/95/337131895.db2.gz GICPGXXMMJBROA-UHFFFAOYSA-N -1 0 315.310 3.564 20 5 DHBDRM Cc1oc2ccccc2c1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000186015647 337252867 /nfs/dbraw/zinc/25/28/67/337252867.db2.gz LUMPFIQBALFJCD-UHFFFAOYSA-N -1 0 312.281 3.607 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN(Cc1ccc(F)cc1)C1CC1 ZINC000429722012 338088522 /nfs/dbraw/zinc/08/85/22/338088522.db2.gz SBEDDKOFZPQKAH-UHFFFAOYSA-N -1 0 316.332 3.604 20 5 DHBDRM CC(C)c1cccc(N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000432543791 338158506 /nfs/dbraw/zinc/15/85/06/338158506.db2.gz ANSLNJBPQRXBSN-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM CC(C)C1CCC(N(C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)CC1 ZINC000432565141 338159151 /nfs/dbraw/zinc/15/91/51/338159151.db2.gz HJTXDXVKTNNHBK-UHFFFAOYSA-N -1 0 320.389 3.587 20 5 DHBDRM CCn1c2ccc(Cl)cc2nc1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436653292 338281757 /nfs/dbraw/zinc/28/17/57/338281757.db2.gz BDHZEGZNRGIKRQ-UHFFFAOYSA-N -1 0 317.732 3.990 20 5 DHBDRM O=C([O-])c1ccc2oc(/C=C\c3cccc([N+](=O)[O-])c3)nc2c1 ZINC000439266693 338365443 /nfs/dbraw/zinc/36/54/43/338365443.db2.gz BWVWZUNWZHCQRH-DAXSKMNVSA-N -1 0 310.265 3.605 20 5 DHBDRM Cc1ccc(/C=C/c2nc3c(cccc3C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000439274827 338365784 /nfs/dbraw/zinc/36/57/84/338365784.db2.gz MQBUBSNSEFUCNX-BQYQJAHWSA-N -1 0 324.292 3.913 20 5 DHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474431712 339414287 /nfs/dbraw/zinc/41/42/87/339414287.db2.gz KERJCSRHOBOECX-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM C[C@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000544403740 341080554 /nfs/dbraw/zinc/08/05/54/341080554.db2.gz BPUUUVSYIKIWLJ-SNVBAGLBSA-N -1 0 318.304 3.572 20 5 DHBDRM CC(C)c1cccc(N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000136655987 341264051 /nfs/dbraw/zinc/26/40/51/341264051.db2.gz FEAUOOGFHLBJDI-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM CCN(C(=O)c1cccc([O-])c1[N+](=O)[O-])c1cc(C)cc(C)c1 ZINC000549757075 341302327 /nfs/dbraw/zinc/30/23/27/341302327.db2.gz SQIDANMCMRHLLR-UHFFFAOYSA-N -1 0 314.341 3.584 20 5 DHBDRM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)c(F)c1 ZINC000549928243 341307158 /nfs/dbraw/zinc/30/71/58/341307158.db2.gz LDCWSMTWDFXKGK-UHFFFAOYSA-N -1 0 322.311 3.604 20 5 DHBDRM O=C([O-])c1cc(N2CCC[C@@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000566576860 341562171 /nfs/dbraw/zinc/56/21/71/341562171.db2.gz FLMFCGIUUNVOEK-CYBMUJFWSA-N -1 0 318.354 3.696 20 5 DHBDRM CN(C(=O)[O-])c1ccc(Nc2ncc([N+](=O)[O-])cc2Cl)cc1 ZINC000737337221 600205321 /nfs/dbraw/zinc/20/53/21/600205321.db2.gz VKHPQQFHRNTMKJ-UHFFFAOYSA-N -1 0 322.708 3.501 20 5 DHBDRM O=C([O-])/C=C/c1ccc(Nc2ccc3[nH]ccc3c2)c([N+](=O)[O-])c1 ZINC000739624405 600389476 /nfs/dbraw/zinc/38/94/76/600389476.db2.gz JBKFAUABOIHHFM-QHHAFSJGSA-N -1 0 323.308 3.918 20 5 DHBDRM Cc1ccc(C(=O)[O-])cc1NCc1cccc([N+](=O)[O-])c1C ZINC000738541455 600675146 /nfs/dbraw/zinc/67/51/46/600675146.db2.gz SUETWRSNQQYJME-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM O=C([O-])/C=C/c1ccc(NCC(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000833196556 600824613 /nfs/dbraw/zinc/82/46/13/600824613.db2.gz AOSOEQRMLHZWEA-KRXBUXKQSA-N -1 0 316.357 3.541 20 5 DHBDRM O=C([O-])c1cc(NC(=O)CCCC2CCCC2)cc([N+](=O)[O-])c1 ZINC000833097083 600889730 /nfs/dbraw/zinc/88/97/30/600889730.db2.gz FIHXEOUUCIQEDH-UHFFFAOYSA-N -1 0 320.345 3.592 20 5 DHBDRM CN(Cc1ccccc1)c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000737491729 600942530 /nfs/dbraw/zinc/94/25/30/600942530.db2.gz HMDHUKAKGJONPC-UHFFFAOYSA-N -1 0 320.732 3.583 20 5 DHBDRM O=C([O-])Nc1ccccc1OCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000833287135 601228767 /nfs/dbraw/zinc/22/87/67/601228767.db2.gz BBDOZUWEBMVASJ-UHFFFAOYSA-N -1 0 322.704 3.917 20 5 DHBDRM Cc1cc(N[C@H]2CCc3ccccc32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896180 601545381 /nfs/dbraw/zinc/54/53/81/601545381.db2.gz BYDPRHCIWZEWFD-HNNXBMFYSA-N -1 0 312.325 3.701 20 5 DHBDRM CSCCCCNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832763047 604267492 /nfs/dbraw/zinc/26/74/92/604267492.db2.gz RLNSSMHEZSKXIS-UHFFFAOYSA-N -1 0 318.782 3.502 20 5 DHBDRM O=C([O-])c1cccnc1SCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833335177 604711484 /nfs/dbraw/zinc/71/14/84/604711484.db2.gz QBPJLERQAIRNAH-UHFFFAOYSA-N -1 0 324.745 3.634 20 5 DHBDRM CCOc1cc(Nc2ccc(NC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000833660355 604824431 /nfs/dbraw/zinc/82/44/31/604824431.db2.gz IZNBQPHGYNXOMM-UHFFFAOYSA-N -1 0 317.301 3.827 20 5 DHBDRM C[C@H]1C[C@@H]1c1ccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1 ZINC000833603158 605178030 /nfs/dbraw/zinc/17/80/30/605178030.db2.gz TWWOANMBKCWHJP-CABZTGNLSA-N -1 0 316.313 3.622 20 5 DHBDRM CCOc1cc(Oc2cc(C(=O)[O-])ccc2F)ccc1[N+](=O)[O-] ZINC001592211128 951312770 /nfs/dbraw/zinc/31/27/70/951312770.db2.gz IXNZNKFMBCLTFH-UHFFFAOYSA-N -1 0 321.260 3.623 20 5 DHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ccc(Cl)cc2)c1 ZINC000013187089 956969817 /nfs/dbraw/zinc/96/98/17/956969817.db2.gz UYWGPIHKZUMFKZ-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM O=C([O-])c1cnc(/C=C\c2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000588508834 974964913 /nfs/dbraw/zinc/96/49/13/974964913.db2.gz MGPIWCRZQKEWNA-RQOWECAXSA-N -1 0 310.718 3.573 20 5 DHBDRM C[C@@H](COc1cccc(C(=O)[O-])c1[N+](=O)[O-])C1CCCCC1 ZINC001592780301 979408680 /nfs/dbraw/zinc/40/86/80/979408680.db2.gz CMVOMLXVUVYHHZ-NSHDSACASA-N -1 0 307.346 3.888 20 5 DHBDRM C[C@@H](Cc1ccc(Nc2c(F)cccc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC001592884009 979764862 /nfs/dbraw/zinc/76/48/62/979764862.db2.gz YDKHNMRGMHQOAM-JTQLQIEISA-N -1 0 318.304 3.741 20 5 DHBDRM CCC1(CC)CCCN(c2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001595374550 980885194 /nfs/dbraw/zinc/88/51/94/980885194.db2.gz HOQLTPLXZFJPBQ-UHFFFAOYSA-N -1 0 320.389 3.629 20 5 DHBDRM CCCCC1CCC(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001595660331 982070429 /nfs/dbraw/zinc/07/04/29/982070429.db2.gz DIFWTLIFHCLDJZ-UHFFFAOYSA-N -1 0 321.377 3.849 20 5 DHBDRM Cc1cccc(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000912620395 982648776 /nfs/dbraw/zinc/64/87/76/982648776.db2.gz LJPPBTRRSFYMES-VURMDHGXSA-N -1 0 312.325 3.613 20 5 DHBDRM CCCc1ccc(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001596068392 983380930 /nfs/dbraw/zinc/38/09/30/983380930.db2.gz ASLJQBNVJFNTHI-UHFFFAOYSA-N -1 0 314.341 3.918 20 5 DHBDRM CSc1ccc(Oc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001599820504 988505664 /nfs/dbraw/zinc/50/56/64/988505664.db2.gz YLTBUMDFKBISAL-UHFFFAOYSA-N -1 0 319.338 3.736 20 5 DHBDRM COc1ccccc1Sc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-] ZINC001599718498 991496823 /nfs/dbraw/zinc/49/68/23/991496823.db2.gz DNYVGIKDDDXVFZ-UHFFFAOYSA-N -1 0 319.338 3.761 20 5 DHBDRM Cc1sc(/C=C\c2ccc(C)c([N+](=O)[O-])c2)nc1C(=O)[O-] ZINC000339114111 1016815757 /nfs/dbraw/zinc/81/57/57/1016815757.db2.gz LKYWNWNICOURIN-WAYWQWQTSA-N -1 0 304.327 3.537 20 5 DHBDRM Cc1ccsc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180781398 1017508520 /nfs/dbraw/zinc/50/85/20/1017508520.db2.gz RHZJMQLJUCQDGN-UHFFFAOYSA-N -1 0 312.734 3.576 20 5 DHBDRM CCCCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC000584224429 1019036816 /nfs/dbraw/zinc/03/68/16/1019036816.db2.gz VYKWLCLJSDKENH-UHFFFAOYSA-N -1 0 320.389 3.875 20 5 DHBDRM Cc1cccc(C(=O)Nc2ccc(Cl)cc2[O-])c1[N+](=O)[O-] ZINC000153545968 1020333439 /nfs/dbraw/zinc/33/34/39/1020333439.db2.gz QPYKTHPPDHPCMA-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000734085821 1020558422 /nfs/dbraw/zinc/55/84/22/1020558422.db2.gz BHDBTWIRBQJKIQ-UKRRQHHQSA-N -1 0 314.341 3.724 20 5 DHBDRM Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000734085819 1020558463 /nfs/dbraw/zinc/55/84/63/1020558463.db2.gz BHDBTWIRBQJKIQ-DZGCQCFKSA-N -1 0 314.341 3.724 20 5 DHBDRM Cc1c(Cl)cccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000194809757 1021708966 /nfs/dbraw/zinc/70/89/66/1021708966.db2.gz MXSROZMWGFYROF-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCCC[C@@H](Sc1ccc([N+](=O)[O-])cc1C(C)=O)C(=O)[O-] ZINC000566491687 1022796220 /nfs/dbraw/zinc/79/62/20/1022796220.db2.gz WPFIOLMCDQPZRV-CYBMUJFWSA-N -1 0 311.359 3.533 20 5 DHBDRM O=C([O-])c1ccnc(/C=C/c2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000791426786 1024502881 /nfs/dbraw/zinc/50/28/81/1024502881.db2.gz BNELKBSRRPTKMN-OWOJBTEDSA-N -1 0 304.689 3.512 20 5 DHBDRM CN(Cc1cc(Cl)ccc1F)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000339127718 1024571379 /nfs/dbraw/zinc/57/13/79/1024571379.db2.gz IGQKPIJOZFLZAO-UHFFFAOYSA-N -1 0 324.739 3.725 20 5 DHBDRM Cc1c2ccccc2oc1[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000791970756 1024606912 /nfs/dbraw/zinc/60/69/12/1024606912.db2.gz SLGIDVAJVAXHLS-JTQLQIEISA-N -1 0 314.297 3.896 20 5 DHBDRM C[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1c(F)cccc1Cl ZINC000747154686 1025187430 /nfs/dbraw/zinc/18/74/30/1025187430.db2.gz SWLYMTYLSVBTOV-ZETCQYMHSA-N -1 0 312.684 3.633 20 5 DHBDRM CSc1ccc(C)c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000354540851 1025453001 /nfs/dbraw/zinc/45/30/01/1025453001.db2.gz NTPNACOAENBKGR-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM CC[C@@H](Sc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)C(=O)[O-] ZINC000575992032 1025956752 /nfs/dbraw/zinc/95/67/52/1025956752.db2.gz NAIIPQAPKNBMCD-GFCCVEGCSA-N -1 0 313.375 3.727 20 5 DHBDRM CCC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000356224247 1025987194 /nfs/dbraw/zinc/98/71/94/1025987194.db2.gz PMIIJLXVYCMXTM-INIZCTEOSA-N -1 0 314.341 3.572 20 5 DHBDRM O=C([O-])c1cc(N2CCC[C@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000557715905 1030259761 /nfs/dbraw/zinc/25/97/61/1030259761.db2.gz YGQLLRFJJGDENI-HNNXBMFYSA-N -1 0 312.325 3.635 20 5 DHBDRM Cc1cc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)ccc1C1CC1 ZINC000358886738 1030666142 /nfs/dbraw/zinc/66/61/42/1030666142.db2.gz MQASSNQDXNTXRO-UHFFFAOYSA-N -1 0 312.325 3.739 20 5 DHBDRM Cc1cc(Cl)cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174505470 1034460932 /nfs/dbraw/zinc/46/09/32/1034460932.db2.gz ZOYRNDUEODMMBJ-UHFFFAOYSA-N -1 0 306.705 3.998 20 5 DHBDRM CC(=O)c1cc(C)ccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174505806 1034464478 /nfs/dbraw/zinc/46/44/78/1034464478.db2.gz OJDOFXMJMBUCRC-UHFFFAOYSA-N -1 0 314.297 3.548 20 5 DHBDRM Cc1ccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1F ZINC000339072750 1034593785 /nfs/dbraw/zinc/59/37/85/1034593785.db2.gz RZRPWZSFZVIJHZ-LLVKDONJSA-N -1 0 304.321 3.599 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc(Cl)c(F)c2)cc([N+](=O)[O-])c1 ZINC001176676165 1035311627 /nfs/dbraw/zinc/31/16/27/1035311627.db2.gz ASKKCYDCWDOOQB-UHFFFAOYSA-N -1 0 310.668 3.829 20 5 DHBDRM O=C([O-])c1cc(Nc2nc3ccccc3s2)cc([N+](=O)[O-])c1 ZINC001176673093 1035311868 /nfs/dbraw/zinc/31/18/68/1035311868.db2.gz RYDVGLXIHVICLP-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM O=C([O-])c1cc(Nc2csc3ncccc23)cc([N+](=O)[O-])c1 ZINC001176674309 1035312034 /nfs/dbraw/zinc/31/20/34/1035312034.db2.gz IQXIIDSHRIWRIB-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM O=C([O-])c1cc(Nc2cc3ccccc3cn2)cc([N+](=O)[O-])c1 ZINC001176674618 1035312182 /nfs/dbraw/zinc/31/21/82/1035312182.db2.gz MXEPEAISLYDHRD-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM COc1c(Cl)cccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678694 1035312734 /nfs/dbraw/zinc/31/27/34/1035312734.db2.gz YCAQTZQCSRWWQH-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM Cc1cc(N)c(Cl)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680177 1035312894 /nfs/dbraw/zinc/31/28/94/1035312894.db2.gz RDRQOIBZJRUHHE-UHFFFAOYSA-N -1 0 321.720 3.581 20 5 DHBDRM O=C([O-])c1cc(Nc2cccc(OC(F)F)c2)cc([N+](=O)[O-])c1 ZINC001176680257 1035313014 /nfs/dbraw/zinc/31/30/14/1035313014.db2.gz UVFIICZIRCGSHX-UHFFFAOYSA-N -1 0 324.239 3.638 20 5 DHBDRM O=C([O-])c1cc(Nc2cccc3ccc(O)cc32)cc([N+](=O)[O-])c1 ZINC001176680208 1035313130 /nfs/dbraw/zinc/31/31/30/1035313130.db2.gz SLISAJHGIKBCOC-UHFFFAOYSA-N -1 0 324.292 3.895 20 5 DHBDRM CC(=O)c1ccc(C)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC001176680769 1035313196 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DHBDRM Cc1ccc([N+](=O)[O-])c([N-]c2ccn(C3CCCCC3)n2)n1 ZINC000302819185 336370423 /nfs/dbraw/zinc/37/04/23/336370423.db2.gz JHOGBBCJCNOUGW-UHFFFAOYSA-N -1 0 301.350 3.744 20 5 DHBDRM CCSc1cccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356606180 336556056 /nfs/dbraw/zinc/55/60/56/336556056.db2.gz YKYGUXFJTAHLCR-UHFFFAOYSA-N -1 0 318.354 3.665 20 5 DHBDRM CC(C)c1ccccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000358163320 336614184 /nfs/dbraw/zinc/61/41/84/336614184.db2.gz WROIWOGYIIOZFB-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM CCCC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436610323 338279776 /nfs/dbraw/zinc/27/97/76/338279776.db2.gz SQGJRLQEXDJUQR-UHFFFAOYSA-N -1 0 320.389 3.731 20 5 DHBDRM CCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])c1cccc(Cl)c1 ZINC000436660968 338282026 /nfs/dbraw/zinc/28/20/26/338282026.db2.gz DKQVAYVOJHYXKL-UHFFFAOYSA-N -1 0 320.732 3.621 20 5 DHBDRM CC(C)(C)[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccccc21 ZINC000470280590 339315949 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Cc1c(CNc2cc(Cl)cc(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000738289170 600677764 /nfs/dbraw/zinc/67/77/64/600677764.db2.gz MDVWHBQKFHXLNL-UHFFFAOYSA-N -1 0 320.732 3.867 20 5 DHBDRM O=C([O-])c1sccc1COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000110952639 601890378 /nfs/dbraw/zinc/89/03/78/601890378.db2.gz BPZVBZOZACGZAT-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM O=C([O-])c1sccc1COc1c(Cl)cccc1[N+](=O)[O-] ZINC000236483324 602125552 /nfs/dbraw/zinc/12/55/52/602125552.db2.gz PCNWBPKTOQOIFC-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM Cc1cc(NCCSC(C)(C)C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896577 602316956 /nfs/dbraw/zinc/31/69/56/602316956.db2.gz AYYHFSCNGYXKRV-UHFFFAOYSA-N -1 0 312.391 3.545 20 5 DHBDRM CS[C@H]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)C1 ZINC000573003860 602318606 /nfs/dbraw/zinc/31/86/06/602318606.db2.gz CRFODHJKHQSEJL-PWSUYJOCSA-N -1 0 324.402 3.688 20 5 DHBDRM O=C([O-])c1ccc(CSc2ccc([N+](=O)[O-])cc2F)cc1 ZINC001595233431 949369603 /nfs/dbraw/zinc/36/96/03/949369603.db2.gz 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ZINC000442883356 338437797 /nfs/dbraw/zinc/43/77/97/338437797.db2.gz CVBOIZXLHHRYHT-UHFFFAOYSA-N -1 0 312.753 3.719 20 5 DHBDRM CC(C)c1ccccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000164106772 338887289 /nfs/dbraw/zinc/88/72/89/338887289.db2.gz MGRAIZPMQZCDLJ-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM O=C([O-])c1ccc(-c2nc3cc4ccccc4cc3c(=O)[nH]2)s1 ZINC000494898478 339964067 /nfs/dbraw/zinc/96/40/67/339964067.db2.gz RYSGDPPJOFSVFR-UHFFFAOYSA-N -1 0 322.345 3.503 20 5 DHBDRM CC(/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-])=C\c1ccccc1 ZINC000508597097 340247412 /nfs/dbraw/zinc/24/74/12/340247412.db2.gz GLRLQPVUNREWCH-ANKZSMJWSA-N -1 0 310.309 3.805 20 5 DHBDRM C[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000183918286 340489968 /nfs/dbraw/zinc/48/99/68/340489968.db2.gz GLLJQHOKBUDMRL-VIFPVBQESA-N -1 0 320.732 3.696 20 5 DHBDRM Cc1cccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1F ZINC000543679601 341053536 /nfs/dbraw/zinc/05/35/36/341053536.db2.gz WGYPRHDVTMRFHS-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM Cc1ccc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000075289252 341174119 /nfs/dbraw/zinc/17/41/19/341174119.db2.gz BDESFNWFVDYMLW-UHFFFAOYSA-N -1 0 314.341 3.570 20 5 DHBDRM Cc1ccc(C(C)(C)C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000155964047 341615497 /nfs/dbraw/zinc/61/54/97/341615497.db2.gz WCCTZJCLLIWNES-UHFFFAOYSA-N -1 0 314.341 3.525 20 5 DHBDRM O=C([O-])/C=C\c1ccc(Sc2ccc(O)cc2)c([N+](=O)[O-])c1 ZINC000739622228 599706980 /nfs/dbraw/zinc/70/69/80/599706980.db2.gz ABAMDWKAMNVQLV-WAPJZHGLSA-N -1 0 317.322 3.549 20 5 DHBDRM O=C([O-])CSCc1cccc(Nc2ccccc2[N+](=O)[O-])c1 ZINC000739873591 599960339 /nfs/dbraw/zinc/96/03/39/599960339.db2.gz HUHJVSGTCJMYSE-UHFFFAOYSA-N -1 0 318.354 3.656 20 5 DHBDRM O=C([O-])c1ccc(OCc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000050442782 600204537 /nfs/dbraw/zinc/20/45/37/600204537.db2.gz YKEHWKBFGRRDFZ-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM C/C(=C\COc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C(=O)[O-] ZINC000825786316 600728076 /nfs/dbraw/zinc/72/80/76/600728076.db2.gz IGCBVYPEOIYEPE-FMIVXFBMSA-N -1 0 313.309 3.672 20 5 DHBDRM CN(c1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000737500959 600942494 /nfs/dbraw/zinc/94/24/94/600942494.db2.gz KUPYJOBASVXWEV-UHFFFAOYSA-N -1 0 312.753 3.715 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2ccccc2F)cc1Cl ZINC000740098694 600943031 /nfs/dbraw/zinc/94/30/31/600943031.db2.gz XQZCYUJKCZKTEG-UHFFFAOYSA-N -1 0 324.695 3.698 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2ccc(F)cc2)cc1Cl ZINC000740097730 600943178 /nfs/dbraw/zinc/94/31/78/600943178.db2.gz RZLRNGBDHRTGJC-UHFFFAOYSA-N -1 0 324.695 3.698 20 5 DHBDRM Cc1cc([N+](=O)[O-])ccc1NCCc1ccc(NC(=O)[O-])cc1 ZINC000832905456 601200146 /nfs/dbraw/zinc/20/01/46/601200146.db2.gz MTZGNTPRLBEFMH-UHFFFAOYSA-N -1 0 315.329 3.648 20 5 DHBDRM Cc1ccc(NCc2cccc([N+](=O)[O-])c2C)cc1C(=O)[O-] ZINC000832951106 601301950 /nfs/dbraw/zinc/30/19/50/601301950.db2.gz DDEPXIGDWQRIDB-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM O=C([O-])c1sccc1COc1cc(Cl)ccc1[N+](=O)[O-] ZINC000110953049 601892930 /nfs/dbraw/zinc/89/29/30/601892930.db2.gz OKSHPUBUQRYSIL-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM Cc1ccc(CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000832931344 602251872 /nfs/dbraw/zinc/25/18/72/602251872.db2.gz XDZCBDBFXVFCPG-UHFFFAOYSA-N -1 0 324.720 3.502 20 5 DHBDRM O=C([O-])Cc1cccc(Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001574739290 957685809 /nfs/dbraw/zinc/68/58/09/957685809.db2.gz TZRNRVJXUGHZGW-UHFFFAOYSA-N -1 0 306.705 3.619 20 5 DHBDRM Nc1ccc(Nc2ccc([O-])c([N+](=O)[O-])c2)c(C(F)(F)F)c1 ZINC001210400751 1013835094 /nfs/dbraw/zinc/83/50/94/1013835094.db2.gz LHRXSYPJIISUOT-UHFFFAOYSA-N -1 0 313.235 3.645 20 5 DHBDRM O=C([O-])c1cccc(NCc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000789898951 978798195 /nfs/dbraw/zinc/79/81/95/978798195.db2.gz QHQDKSLVVVSCBA-UHFFFAOYSA-N -1 0 306.705 3.559 20 5 DHBDRM C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])CC(F)F ZINC001592722990 979228231 /nfs/dbraw/zinc/22/82/31/979228231.db2.gz SPEZPTUXJHXLTJ-LURJTMIESA-N -1 0 322.695 3.650 20 5 DHBDRM CCCC[C@H](CC)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595632149 981850797 /nfs/dbraw/zinc/85/07/97/981850797.db2.gz AYKNNQXXHDIICQ-NSHDSACASA-N -1 0 322.361 3.838 20 5 DHBDRM CCCC[C@@H](CC)CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595632148 981851099 /nfs/dbraw/zinc/85/10/99/981851099.db2.gz AYKNNQXXHDIICQ-LLVKDONJSA-N -1 0 322.361 3.838 20 5 DHBDRM CCCC[C@@H](Sc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595657313 982061477 /nfs/dbraw/zinc/06/14/77/982061477.db2.gz LAPJBWISTPKHLQ-SNVBAGLBSA-N -1 0 305.302 3.609 20 5 DHBDRM Cc1cccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000912620394 982648557 /nfs/dbraw/zinc/64/85/57/982648557.db2.gz LJPPBTRRSFYMES-SOFGYWHQSA-N -1 0 312.325 3.613 20 5 DHBDRM CCOc1ccc(Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC001597125894 986833735 /nfs/dbraw/zinc/83/37/35/986833735.db2.gz JJSBFEXHMDWYAV-UHFFFAOYSA-N -1 0 316.313 3.744 20 5 DHBDRM C[C@H](C(=O)[O-])c1cccc(Nc2c(F)cccc2[N+](=O)[O-])c1 ZINC001589539889 987238155 /nfs/dbraw/zinc/23/81/55/987238155.db2.gz MMEAFPFPZAHKKD-VIFPVBQESA-N -1 0 304.277 3.666 20 5 DHBDRM C[C@@H](C(=O)[O-])c1cccc(Nc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001589540290 987242156 /nfs/dbraw/zinc/24/21/56/987242156.db2.gz UDOXOZMHHJNPHT-MRVPVSSYSA-N -1 0 321.720 3.575 20 5 DHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000474432023 1015356909 /nfs/dbraw/zinc/35/69/09/1015356909.db2.gz KSAFMGDKQJKACI-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CC(C)(C)CCCCNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001589771661 988122800 /nfs/dbraw/zinc/12/28/00/988122800.db2.gz ACDWEXDSVWYCRQ-UHFFFAOYSA-N -1 0 308.378 3.850 20 5 DHBDRM CC(C)(CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])CC(F)(F)F ZINC001590774273 990576996 /nfs/dbraw/zinc/57/69/96/990576996.db2.gz NBTLZGKWEWHLSY-UHFFFAOYSA-N -1 0 320.267 3.684 20 5 DHBDRM Cc1cc([C@@H](C)Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c(C)s1 ZINC000320298382 1016086095 /nfs/dbraw/zinc/08/60/95/1016086095.db2.gz ITBLHPXIWRUVEO-MRVPVSSYSA-N -1 0 321.358 3.539 20 5 DHBDRM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)c1cccc(O)c1 ZINC000091974792 1019496640 /nfs/dbraw/zinc/49/66/40/1019496640.db2.gz DIOBXPUHYXRZAI-LBPRGKRZSA-N -1 0 316.357 3.589 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccccc1Cl ZINC000255657389 1019550052 /nfs/dbraw/zinc/55/00/52/1019550052.db2.gz QWIUUZMFCIGVMU-WAYWQWQTSA-N -1 0 304.689 3.512 20 5 DHBDRM Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c(Cl)c1 ZINC000235894940 1020051373 /nfs/dbraw/zinc/05/13/73/1020051373.db2.gz MSBYJXOTTBLWFM-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@H](C)c1cccc(O)c1 ZINC000091974793 1020429616 /nfs/dbraw/zinc/42/96/16/1020429616.db2.gz DIOBXPUHYXRZAI-GFCCVEGCSA-N -1 0 316.357 3.589 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCCSc2ccccc21 ZINC000338910292 1021272143 /nfs/dbraw/zinc/27/21/43/1021272143.db2.gz PIZHLEBUHKKLFX-UHFFFAOYSA-N -1 0 316.382 3.803 20 5 DHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1csc2ccccc12 ZINC000183911385 1022540927 /nfs/dbraw/zinc/54/09/27/1022540927.db2.gz XUOMDFZCMFAIBM-UHFFFAOYSA-N -1 0 314.322 3.767 20 5 DHBDRM O=C([O-])c1ccnc(/C=C\c2ccc([N+](=O)[O-])c(Cl)c2)c1 ZINC000789147168 1024006671 /nfs/dbraw/zinc/00/66/71/1024006671.db2.gz GJSNOYDESLZDDN-IWQZZHSRSA-N -1 0 304.689 3.512 20 5 DHBDRM O=C([O-])c1ccnc(/C=C/c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000789148867 1024006922 /nfs/dbraw/zinc/00/69/22/1024006922.db2.gz UAYVHKWTQHETPK-HNQUOIGGSA-N -1 0 304.689 3.512 20 5 DHBDRM CC(C)[C@]1(C)C[C@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001295615395 1024055924 /nfs/dbraw/zinc/05/59/24/1024055924.db2.gz YQQHZXMJFWGEGJ-XPTSAGLGSA-N -1 0 312.753 3.575 20 5 DHBDRM C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H](c2ccco2)C1 ZINC000354041184 1025332614 /nfs/dbraw/zinc/33/26/14/1025332614.db2.gz REMJJKRCTONMNI-LRDDRELGSA-N -1 0 316.357 3.867 20 5 DHBDRM C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000183918212 1027272910 /nfs/dbraw/zinc/27/29/10/1027272910.db2.gz GLLJQHOKBUDMRL-SECBINFHSA-N -1 0 320.732 3.696 20 5 DHBDRM CCCC[C@H](Sc1ccc([N+](=O)[O-])cc1C(C)=O)C(=O)[O-] ZINC000566491688 1028734176 /nfs/dbraw/zinc/73/41/76/1028734176.db2.gz WPFIOLMCDQPZRV-ZDUSSCGKSA-N -1 0 311.359 3.533 20 5 DHBDRM CCC(=O)c1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC001174505068 1034461698 /nfs/dbraw/zinc/46/16/98/1034461698.db2.gz MZJCQMJCSACYJG-UHFFFAOYSA-N -1 0 314.297 3.629 20 5 DHBDRM COc1cc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)ccc1[S-] ZINC001175907586 1035157342 /nfs/dbraw/zinc/15/73/42/1035157342.db2.gz ULHLWBKKCJHQJI-CMDGGOBGSA-N -1 0 302.355 3.975 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc3cccnc3c2)cc([N+](=O)[O-])c1 ZINC001176677325 1035312040 /nfs/dbraw/zinc/31/20/40/1035312040.db2.gz SFTNHQHRPAWIGD-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc(F)cc2Cl)cc([N+](=O)[O-])c1 ZINC001176677374 1035312748 /nfs/dbraw/zinc/31/27/48/1035312748.db2.gz VETVAEOLRFDPOG-UHFFFAOYSA-N -1 0 310.668 3.829 20 5 DHBDRM Cc1cc(F)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1F ZINC001176681233 1035312961 /nfs/dbraw/zinc/31/29/61/1035312961.db2.gz ZDLUDBIGJDZXLZ-UHFFFAOYSA-N -1 0 308.240 3.623 20 5 DHBDRM CC[C@@H](CC(F)F)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000457708861 1035603439 /nfs/dbraw/zinc/60/34/39/1035603439.db2.gz NFQLUJXCNUCQPW-LURJTMIESA-N -1 0 322.695 3.574 20 5 DHBDRM CCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CCCCC1 ZINC000609114527 1036098831 /nfs/dbraw/zinc/09/88/31/1036098831.db2.gz LETMOJFFEWFUAZ-CQSZACIVSA-N -1 0 320.389 3.779 20 5 DHBDRM Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000387076070 1037058577 /nfs/dbraw/zinc/05/85/77/1037058577.db2.gz VKJRHSCIPLXBQL-NSHDSACASA-N -1 0 300.314 3.775 20 5 DHBDRM O=S(=O)([N-]c1c2ccccc2cc2ccccc21)c1ncc[nH]1 ZINC001190729110 1038373853 /nfs/dbraw/zinc/37/38/53/1038373853.db2.gz HCBMKSACJSOOSO-UHFFFAOYSA-N -1 0 323.377 3.517 20 5 DHBDRM Cc1cc([C@H](Nc2cc[nH]c(=O)c2[N+](=O)[O-])C2CC2)ccc1F ZINC000596176819 1040335719 /nfs/dbraw/zinc/33/57/19/1040335719.db2.gz GEJBOKBJCDWDMG-CQSZACIVSA-N -1 0 317.320 3.706 20 5 DHBDRM CCCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])C1CCCCC1 ZINC000436804115 334000566 /nfs/dbraw/zinc/00/05/66/334000566.db2.gz OBBVZASROYFCSR-UHFFFAOYSA-N -1 0 320.389 3.875 20 5 DHBDRM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cc(F)ccc1F ZINC000344483903 335253191 /nfs/dbraw/zinc/25/31/91/335253191.db2.gz UMMMGQWRRPXKLN-HNNXBMFYSA-N -1 0 322.311 3.820 20 5 DHBDRM CSc1ccc(C)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000356780232 336560731 /nfs/dbraw/zinc/56/07/31/336560731.db2.gz NHCAVANYGOPKFJ-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000360705083 336719595 /nfs/dbraw/zinc/71/95/95/336719595.db2.gz NIKDSKSFRBVCBI-DGCLKSJQSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1cnc([C@H](C)Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000583696327 337050583 /nfs/dbraw/zinc/05/05/83/337050583.db2.gz OMNFCGQHEUYDSX-VIFPVBQESA-N -1 0 321.358 3.539 20 5 DHBDRM Cc1noc(-c2ccccc2)c1NC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000183382568 337191568 /nfs/dbraw/zinc/19/15/68/337191568.db2.gz BVGLEIBSXCOXHI-UHFFFAOYSA-N -1 0 323.308 3.811 20 5 DHBDRM CC(C)c1ccsc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089541120 337871017 /nfs/dbraw/zinc/87/10/17/337871017.db2.gz DGRNLVOZPJNZIA-UHFFFAOYSA-N -1 0 306.343 3.738 20 5 DHBDRM CC(C)(C)c1ccccc1-c1cc(C(=O)[O-])c([N+](=O)[O-])cn1 ZINC000515870781 338000617 /nfs/dbraw/zinc/00/06/17/338000617.db2.gz ZNBFTWWVBOZSKY-UHFFFAOYSA-N -1 0 300.314 3.653 20 5 DHBDRM COc1cccc(OC)c1SCc1cc([O-])ccc1[N+](=O)[O-] ZINC000436474536 338273559 /nfs/dbraw/zinc/27/35/59/338273559.db2.gz JZQJSCOPGLQGEI-UHFFFAOYSA-N -1 0 321.354 3.610 20 5 DHBDRM CC(C)CCC1CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436799486 338287948 /nfs/dbraw/zinc/28/79/48/338287948.db2.gz YRUMMTPVIRSVED-UHFFFAOYSA-N -1 0 320.389 3.589 20 5 DHBDRM CCC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436948537 338295321 /nfs/dbraw/zinc/29/53/21/338295321.db2.gz OXWNGLUQFHXQBM-AWEZNQCLSA-N -1 0 314.341 3.572 20 5 DHBDRM Cc1ccc(NC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c(O)c1 ZINC000438963107 338357278 /nfs/dbraw/zinc/35/72/78/338357278.db2.gz DTWBWMCJJGJJKA-UHFFFAOYSA-N -1 0 314.341 3.985 20 5 DHBDRM CC[C@H](Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000538870628 340859681 /nfs/dbraw/zinc/85/96/81/340859681.db2.gz QBPLEVPQHKJPMG-CYBMUJFWSA-N -1 0 314.341 3.508 20 5 DHBDRM C[C@@H]([C@H](C)NC(=O)c1cc([O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC000552053991 341365519 /nfs/dbraw/zinc/36/55/19/341365519.db2.gz DYRFAJOHMMLSEJ-RYUDHWBXSA-N -1 0 320.389 3.635 20 5 DHBDRM Cc1sc(/C=C/C=C\c2ccccc2[N+](=O)[O-])nc1C(=O)[O-] ZINC000339113751 526865451 /nfs/dbraw/zinc/86/54/51/526865451.db2.gz FOQNOJHRCHXKJU-NINQLNBYSA-N -1 0 316.338 3.785 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc([C@H]3C[C@H]3c3ccccc3)no2)cc1[O-] ZINC000338063160 527343027 /nfs/dbraw/zinc/34/30/27/527343027.db2.gz AXDYFGNIYUKAEA-STQMWFEESA-N -1 0 323.308 3.622 20 5 DHBDRM O=C([O-])c1ccc(Oc2nc3ccc([N+](=O)[O-])cc3s2)cc1 ZINC000740168373 599922716 /nfs/dbraw/zinc/92/27/16/599922716.db2.gz RFBWKJJCZHAETF-UHFFFAOYSA-N -1 0 316.294 3.695 20 5 DHBDRM Cc1c(CNc2cccc(C(=O)[O-])c2C)cccc1[N+](=O)[O-] ZINC000738305188 600676145 /nfs/dbraw/zinc/67/61/45/600676145.db2.gz HRKJVUXNHVYTHV-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM O=C([O-])c1cccc(-c2nc3cc4ccccc4cc3c(=O)[nH]2)c1 ZINC000833325853 600846539 /nfs/dbraw/zinc/84/65/39/600846539.db2.gz ACBFVTUVBZCRRY-UHFFFAOYSA-N -1 0 316.316 3.854 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2cccs2)cc1Cl ZINC000740097789 600942985 /nfs/dbraw/zinc/94/29/85/600942985.db2.gz SYSSDHRLABNAGV-UHFFFAOYSA-N -1 0 312.734 3.620 20 5 DHBDRM Cc1cc(N[C@@H]2CCc3ccccc32)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896182 601545061 /nfs/dbraw/zinc/54/50/61/601545061.db2.gz BYDPRHCIWZEWFD-OAHLLOKOSA-N -1 0 312.325 3.701 20 5 DHBDRM Cc1cc(N[C@H](C)Cc2ccsc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897808 602315450 /nfs/dbraw/zinc/31/54/50/602315450.db2.gz ZAKLQSIHDJELCK-SNVBAGLBSA-N -1 0 320.370 3.706 20 5 DHBDRM Cc1nc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cs1 ZINC000592975233 602317727 /nfs/dbraw/zinc/31/77/27/602317727.db2.gz ZONCBQQLEOEAQL-MRVPVSSYSA-N -1 0 321.358 3.539 20 5 DHBDRM CCS[C@@H]1CCC[C@@H]1Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000830158506 604373122 /nfs/dbraw/zinc/37/31/22/604373122.db2.gz WYDRZTPDFFSERC-QWHCGFSZSA-N -1 0 324.402 3.688 20 5 DHBDRM O=C([O-])Nc1ccccc1OCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833289001 604773436 /nfs/dbraw/zinc/77/34/36/604773436.db2.gz ZBARSPZULVYUOW-UHFFFAOYSA-N -1 0 322.704 3.917 20 5 DHBDRM CC(C)(C(=O)[O-])c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000833418420 605035882 /nfs/dbraw/zinc/03/58/82/605035882.db2.gz GULKVLBIHSXJIO-UHFFFAOYSA-N -1 0 300.314 3.701 20 5 DHBDRM O=C([O-])c1cccc(COc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000051608698 948924039 /nfs/dbraw/zinc/92/40/39/948924039.db2.gz RDAAKGVHJCAOIQ-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM CC(C)(CCC(=O)[O-])Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000262019573 950055248 /nfs/dbraw/zinc/05/52/48/950055248.db2.gz XJCHZSALRZCGTR-UHFFFAOYSA-N -1 0 320.267 3.669 20 5 DHBDRM O=C([O-])Cc1cccc(Nc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC001595138474 952069333 /nfs/dbraw/zinc/06/93/33/952069333.db2.gz PAWBRZRHCGFNEE-UHFFFAOYSA-N -1 0 306.705 3.619 20 5 DHBDRM C[C@H](COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC001592780138 979407501 /nfs/dbraw/zinc/40/75/01/979407501.db2.gz BVPMKHFLOMFIGG-LLVKDONJSA-N -1 0 307.346 3.888 20 5 DHBDRM CC[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])C1CCCCC1 ZINC001595323637 980525451 /nfs/dbraw/zinc/52/54/51/980525451.db2.gz ZRYHXCKXHKUWNX-CYBMUJFWSA-N -1 0 321.377 3.767 20 5 DHBDRM CCCC[C@H](CC)CC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595632798 981861147 /nfs/dbraw/zinc/86/11/47/981861147.db2.gz RBBJAMJGEKCFHT-NSHDSACASA-N -1 0 323.345 3.805 20 5 DHBDRM CC[C@H](C)c1cccc(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])c1 ZINC001595013927 982950062 /nfs/dbraw/zinc/95/00/62/982950062.db2.gz OBJOHWRRXXZRCH-JTQLQIEISA-N -1 0 315.329 3.945 20 5 DHBDRM C[C@H]1CC[C@@](C)(CNc2ncc(C(=O)[O-])cc2[N+](=O)[O-])C1(C)C ZINC001599907749 984944732 /nfs/dbraw/zinc/94/47/32/984944732.db2.gz DRTSQJLEDJUCBU-QFYYESIMSA-N -1 0 321.377 3.562 20 5 DHBDRM CC(=O)c1ccc(Sc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001589302133 986063827 /nfs/dbraw/zinc/06/38/27/986063827.db2.gz OBNWGBZCEPHBCT-UHFFFAOYSA-N -1 0 317.322 3.647 20 5 DHBDRM CCSCCSc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001597263230 987287847 /nfs/dbraw/zinc/28/78/47/987287847.db2.gz DWYLCYZZRVHPOG-XQRVVYSFSA-N -1 0 313.400 3.538 20 5 DHBDRM CS[C@H]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001599789052 987975953 /nfs/dbraw/zinc/97/59/53/987975953.db2.gz OIHKHIWRSNTSCO-MNOVXSKESA-N -1 0 324.402 3.688 20 5 DHBDRM CC(C)(C)C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589757507 988077068 /nfs/dbraw/zinc/07/70/68/988077068.db2.gz ZNUVTLGXQGGGFR-JTQLQIEISA-N -1 0 300.742 3.550 20 5 DHBDRM CCc1ccc(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001597555720 988282210 /nfs/dbraw/zinc/28/22/10/988282210.db2.gz FBIDGQOXYSBISP-POHAHGRESA-N -1 0 312.325 3.999 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cscc1Cl ZINC000610927813 1015502313 /nfs/dbraw/zinc/50/23/13/1015502313.db2.gz SACUGYWQRQTIQX-OWOJBTEDSA-N -1 0 310.718 3.573 20 5 DHBDRM Cc1ccccc1CN(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000338933490 1016767802 /nfs/dbraw/zinc/76/78/02/1016767802.db2.gz KKFWTWWQPKDVCV-UHFFFAOYSA-N -1 0 312.369 3.773 20 5 DHBDRM Cc1csc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)c1Cl ZINC000362139250 1032244718 /nfs/dbraw/zinc/24/47/18/1032244718.db2.gz DEVOEVPVYQJVAC-UHFFFAOYSA-N -1 0 312.734 3.576 20 5 DHBDRM CC[C@@H](Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000097824130 1012900250 /nfs/dbraw/zinc/90/02/50/1012900250.db2.gz UHBYBPWKJWCCGA-MRVPVSSYSA-N -1 0 309.265 3.569 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)s1 ZINC000054842388 1019069129 /nfs/dbraw/zinc/06/91/29/1019069129.db2.gz CWYQUNSSDICNRK-HNQUOIGGSA-N -1 0 310.718 3.573 20 5 DHBDRM O=C(Nc1cccc2ccsc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354354366 1020600922 /nfs/dbraw/zinc/60/09/22/1020600922.db2.gz DFRMCRMININITF-UHFFFAOYSA-N -1 0 314.322 3.767 20 5 DHBDRM Cc1ccc(/C=C/CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000537769754 1032912856 /nfs/dbraw/zinc/91/28/56/1032912856.db2.gz OFIGHYFHXXYSQU-NSCUHMNNSA-N -1 0 312.325 3.651 20 5 DHBDRM C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000920959208 1022194603 /nfs/dbraw/zinc/19/46/03/1022194603.db2.gz DZSPJOLOWVYJOS-BREXMAIKSA-N -1 0 318.354 3.927 20 5 DHBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416320005 1022256101 /nfs/dbraw/zinc/25/61/01/1022256101.db2.gz ZALHIUFLNJTITP-QWHCGFSZSA-N -1 0 320.389 3.587 20 5 DHBDRM O=C(Nc1ccc2ccccc2c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000769458913 1023159471 /nfs/dbraw/zinc/15/94/71/1023159471.db2.gz CLKWHPDQHHBHBD-UHFFFAOYSA-N -1 0 308.293 3.706 20 5 DHBDRM CCC[C@H](Nc1nccc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC000568767876 1024363480 /nfs/dbraw/zinc/36/34/80/1024363480.db2.gz YMNOXGKVPOYELX-ZDUSSCGKSA-N -1 0 315.329 3.641 20 5 DHBDRM O=c1nc(CSc2cccc([N+](=O)[O-])c2)[n-]c2ccsc21 ZINC000337934522 1033234207 /nfs/dbraw/zinc/23/42/07/1033234207.db2.gz FVKSXZLGZZNZRG-UHFFFAOYSA-N -1 0 319.367 3.597 20 5 DHBDRM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000354523603 1025450859 /nfs/dbraw/zinc/45/08/59/1025450859.db2.gz DCKRHWNNGUAELV-UHFFFAOYSA-N -1 0 323.308 3.548 20 5 DHBDRM O=C(CCC1CCCCC1)NOCCc1ccc([N+](=O)[O-])cc1 ZINC000808257175 1026238866 /nfs/dbraw/zinc/23/88/66/1026238866.db2.gz MSRXSSLOQJCJFI-UHFFFAOYSA-N -1 0 320.389 3.546 20 5 DHBDRM CCCC[C@@H](Sc1cc([N+](=O)[O-])ccc1C(C)=O)C(=O)[O-] ZINC000575763568 1027498050 /nfs/dbraw/zinc/49/80/50/1027498050.db2.gz WBZFUQSQEOYDFS-GFCCVEGCSA-N -1 0 311.359 3.533 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2ccc(Cl)cc2C1 ZINC000339057379 1034115671 /nfs/dbraw/zinc/11/56/71/1034115671.db2.gz AVIHDVHRHOIVRH-UHFFFAOYSA-N -1 0 318.760 3.512 20 5 DHBDRM O=C([O-])c1ccc(Nc2ccccc2-n2cccc2)cc1[N+](=O)[O-] ZINC001174504421 1034461542 /nfs/dbraw/zinc/46/15/42/1034461542.db2.gz DPEXHIBUVQPWCF-UHFFFAOYSA-N -1 0 323.308 3.827 20 5 DHBDRM Cn1ccc2ccc(Nc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cc21 ZINC001174505139 1034461567 /nfs/dbraw/zinc/46/15/67/1034461567.db2.gz ORXOZBDNNLQQHR-UHFFFAOYSA-N -1 0 311.297 3.528 20 5 DHBDRM CC(C)(C)c1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)sn1 ZINC001174503327 1034461763 /nfs/dbraw/zinc/46/17/63/1034461763.db2.gz KMVWGXUCVZLKIV-UHFFFAOYSA-N -1 0 321.358 3.791 20 5 DHBDRM Cc1cc(F)cc(C)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174505750 1034464161 /nfs/dbraw/zinc/46/41/61/1034464161.db2.gz LPZSLGHGDDDHDV-UHFFFAOYSA-N -1 0 304.277 3.793 20 5 DHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)o1 ZINC000483438276 1035271169 /nfs/dbraw/zinc/27/11/69/1035271169.db2.gz LWFNGHOTFBITEJ-UHFFFAOYSA-N -1 0 324.292 3.813 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc3ccccc3n2)cc([N+](=O)[O-])c1 ZINC001176671651 1035310120 /nfs/dbraw/zinc/31/01/20/1035310120.db2.gz ATEJOXZLGIJRTH-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM O=C([O-])c1cc(Nc2cncc(C3CCC3)c2)cc([N+](=O)[O-])c1 ZINC001176677997 1035312847 /nfs/dbraw/zinc/31/28/47/1035312847.db2.gz GYOFHHZGNBIWEZ-UHFFFAOYSA-N -1 0 313.313 3.699 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc3ccncc3c2)cc([N+](=O)[O-])c1 ZINC001176680185 1035313061 /nfs/dbraw/zinc/31/30/61/1035313061.db2.gz RLKUHLHUWHYCKX-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(F)c1F ZINC001176679958 1035313209 /nfs/dbraw/zinc/31/32/09/1035313209.db2.gz UGSIBOQMFJDKHG-UHFFFAOYSA-N -1 0 308.240 3.623 20 5 DHBDRM Cc1c(NC(=O)c2cccc(Cl)c2[O-])cccc1[N+](=O)[O-] ZINC000775638242 1036137317 /nfs/dbraw/zinc/13/73/17/1036137317.db2.gz FBZRABOKLKGWQT-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM C[C@@H](CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000166154592 1038665675 /nfs/dbraw/zinc/66/56/75/1038665675.db2.gz PBDVYNILKMXVIX-LBPRGKRZSA-N -1 0 314.341 3.823 20 5 DHBDRM O=c1c2c([n-]n1-c1ccc([N+](=O)[O-])cc1Cl)CCCCC2 ZINC000601940767 1040839556 /nfs/dbraw/zinc/83/95/56/1040839556.db2.gz RRWWXTADEHPTFS-SNVBAGLBSA-N -1 0 307.737 3.531 20 5 DHBDRM Cc1cc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])nn1[C@H](C)C1CC1 ZINC000541331672 435644058 /nfs/dbraw/zinc/64/40/58/435644058.db2.gz KODGHYMCZCHXOH-GFCCVEGCSA-N -1 0 315.377 3.826 20 5 DHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H]2c2ccsc2)c1 ZINC000569579412 332144129 /nfs/dbraw/zinc/14/41/29/332144129.db2.gz KRLBZLDVAVHSQW-GFCCVEGCSA-N -1 0 318.354 3.696 20 5 DHBDRM O=C([O-])CCCCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000314518409 333137147 /nfs/dbraw/zinc/13/71/47/333137147.db2.gz QMKWREFGGVCKQT-UHFFFAOYSA-N -1 0 320.267 3.671 20 5 DHBDRM C[C@H]1CCCC[C@H]1c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445239368 333689513 /nfs/dbraw/zinc/68/95/13/333689513.db2.gz ZPUGYYKGPVYWPV-GXSJLCMTSA-N -1 0 303.318 3.644 20 5 DHBDRM CCCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCCC1 ZINC000436799671 334000861 /nfs/dbraw/zinc/00/08/61/334000861.db2.gz QNGXQVOZEKLKHB-UHFFFAOYSA-N -1 0 320.389 3.875 20 5 DHBDRM O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000343972971 335208934 /nfs/dbraw/zinc/20/89/34/335208934.db2.gz MZJIGOFQOXWLAD-UHFFFAOYSA-N -1 0 316.288 3.569 20 5 DHBDRM Cc1sc(/C=C\c2ccc([N+](=O)[O-])cc2Cl)nc1C(=O)[O-] ZINC000352035651 336191062 /nfs/dbraw/zinc/19/10/62/336191062.db2.gz SNVRRVDZDJFWLW-HYXAFXHYSA-N -1 0 324.745 3.882 20 5 DHBDRM CC(C)(C)c1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000324463487 336221862 /nfs/dbraw/zinc/22/18/62/336221862.db2.gz BYCLTHMPQMVFCI-UHFFFAOYSA-N -1 0 314.341 3.850 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2c(Cl)cccc2C1 ZINC000353564392 336425360 /nfs/dbraw/zinc/42/53/60/336425360.db2.gz CFGWNJKIAINVOM-UHFFFAOYSA-N -1 0 318.760 3.512 20 5 DHBDRM C[C@@H](C(=O)Nc1cccc(Cl)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000516529928 338013524 /nfs/dbraw/zinc/01/35/24/338013524.db2.gz KLAXPHUMZRKKPE-SECBINFHSA-N -1 0 320.732 3.696 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cccc(Cl)c3)no2)cc1[O-] ZINC000429866592 338091384 /nfs/dbraw/zinc/09/13/84/338091384.db2.gz ACNATTOJFKDRRV-UHFFFAOYSA-N -1 0 317.688 3.671 20 5 DHBDRM Cn1c2cc(Cl)ccc2nc1-c1ccc([N+](=O)[O-])c([O-])c1 ZINC000432503423 338157852 /nfs/dbraw/zinc/15/78/52/338157852.db2.gz RVHBBDDKQKCFMS-UHFFFAOYSA-N -1 0 303.705 3.508 20 5 DHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2ccccc2s1 ZINC000154021824 338235192 /nfs/dbraw/zinc/23/51/92/338235192.db2.gz GFQMFUZWGXSKMG-UHFFFAOYSA-N -1 0 314.322 3.767 20 5 DHBDRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436740079 338284941 /nfs/dbraw/zinc/28/49/41/338284941.db2.gz PMEACNRSPDGVHB-RYUDHWBXSA-N -1 0 320.389 3.587 20 5 DHBDRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436743380 338285074 /nfs/dbraw/zinc/28/50/74/338285074.db2.gz ZUVDVCAVPNHGMY-AAEUAGOBSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436869447 338290664 /nfs/dbraw/zinc/29/06/64/338290664.db2.gz LGPBNXDVXMPANT-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCC[C@@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000436948538 338295388 /nfs/dbraw/zinc/29/53/88/338295388.db2.gz OXWNGLUQFHXQBM-CQSZACIVSA-N -1 0 314.341 3.572 20 5 DHBDRM CC(C)CC[C@H]1CCCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436975089 338296426 /nfs/dbraw/zinc/29/64/26/338296426.db2.gz GNXFYWUHQKSMNX-CQSZACIVSA-N -1 0 320.389 3.731 20 5 DHBDRM CSc1ccc(C)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436981414 338296563 /nfs/dbraw/zinc/29/65/63/338296563.db2.gz UBHWNKBZSKPFIN-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM Cc1cc([N+](=O)[O-])ccc1/C=C\c1nc2c(cccc2C(=O)[O-])o1 ZINC000485985021 339717982 /nfs/dbraw/zinc/71/79/82/339717982.db2.gz YJYWODCYTNVSTD-VURMDHGXSA-N -1 0 324.292 3.913 20 5 DHBDRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000491571221 339867444 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Cc1ccccc1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000738772665 600942623 /nfs/dbraw/zinc/94/26/23/600942623.db2.gz JIACXKOASDYNFK-UHFFFAOYSA-N -1 0 320.732 3.867 20 5 DHBDRM Cc1ccccc1CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000832978168 601545103 /nfs/dbraw/zinc/54/51/03/601545103.db2.gz OAXDZWWWVRTONG-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM Cc1sc(C(=O)[O-])cc1COc1ccc(C)cc1[N+](=O)[O-] ZINC000122685754 601672341 /nfs/dbraw/zinc/67/23/41/601672341.db2.gz RYOADHYPHZDJAX-UHFFFAOYSA-N -1 0 307.327 3.550 20 5 DHBDRM O=C([O-])/C=C/c1ccc(Oc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000833198330 604636787 /nfs/dbraw/zinc/63/67/87/604636787.db2.gz YQWDUVYCGBWNJZ-QHHAFSJGSA-N -1 0 320.688 3.533 20 5 DHBDRM O=C([O-])/C=C\c1ccc(SCc2ccccc2)c([N+](=O)[O-])c1 ZINC000033381293 957180631 /nfs/dbraw/zinc/18/06/31/957180631.db2.gz IXCWVLMWISVECH-CLFYSBASSA-N -1 0 315.350 3.985 20 5 DHBDRM O=C([O-])c1ccc(SCc2ccc([N+](=O)[O-])c(F)c2)cc1 ZINC000094772520 958312408 /nfs/dbraw/zinc/31/24/08/958312408.db2.gz GNLCUNUGVOPVAO-UHFFFAOYSA-N -1 0 307.302 3.724 20 5 DHBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(O)c1 ZINC000017410127 1013186918 /nfs/dbraw/zinc/18/69/18/1013186918.db2.gz CUIGAEYSCPCCHJ-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM C[C@H](SCc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C(=O)[O-] ZINC001603284495 972522061 /nfs/dbraw/zinc/52/20/61/972522061.db2.gz YLXCEYDVZAZJAL-YFKPBYRVSA-N -1 0 310.158 3.608 20 5 DHBDRM Cc1cc([C@H](C)Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])c(C)o1 ZINC001262497643 960847182 /nfs/dbraw/zinc/84/71/82/960847182.db2.gz OTROSZFXSZCMIM-JTQLQIEISA-N -1 0 318.329 3.605 20 5 DHBDRM C[C@H](Sc1ncccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000827921929 978966792 /nfs/dbraw/zinc/96/67/92/978966792.db2.gz KYZYBFZMGSDZOM-VIFPVBQESA-N -1 0 304.327 3.541 20 5 DHBDRM Cc1ccc([C@@H](C)Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000844207966 979356648 /nfs/dbraw/zinc/35/66/48/979356648.db2.gz PONPNFBCDXUZDE-SNVBAGLBSA-N -1 0 320.370 3.765 20 5 DHBDRM CCCC[C@H](Sc1nc2c(cc1[N+](=O)[O-])CCCC2)C(=O)[O-] ZINC001595657337 982061604 /nfs/dbraw/zinc/06/16/04/982061604.db2.gz LUGZDTIZMZNBKN-ZDUSSCGKSA-N -1 0 324.402 3.604 20 5 DHBDRM CC(C)(C)C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001589757508 988076405 /nfs/dbraw/zinc/07/64/05/988076405.db2.gz ZNUVTLGXQGGGFR-SNVBAGLBSA-N -1 0 300.742 3.550 20 5 DHBDRM CSCCCCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001599799384 988151006 /nfs/dbraw/zinc/15/10/06/988151006.db2.gz HSBMSPOQZFVQLA-VURMDHGXSA-N -1 0 324.402 3.638 20 5 DHBDRM CC(C)CC1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCC1 ZINC001591197236 992016521 /nfs/dbraw/zinc/01/65/21/992016521.db2.gz FHEQRJQYDARHSQ-UHFFFAOYSA-N -1 0 320.389 3.850 20 5 DHBDRM CC1(C)CCCC[C@@H]1COc1ccc(C(=O)[O-])cc1[N+](=O)[O-] ZINC001593903641 996775624 /nfs/dbraw/zinc/77/56/24/996775624.db2.gz GYVANMKHWLQTNM-GFCCVEGCSA-N -1 0 307.346 3.888 20 5 DHBDRM CC1(C)CCCC[C@H]1COc1cccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001593904040 996780221 /nfs/dbraw/zinc/78/02/21/996780221.db2.gz XDRFNZHKYZHAQK-NSHDSACASA-N -1 0 307.346 3.888 20 5 DHBDRM C[C@@H]1CCC[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])[C@H]1C ZINC001594348428 999320539 /nfs/dbraw/zinc/32/05/39/999320539.db2.gz MLSBNCMAOJKPAD-MDZLAQPJSA-N -1 0 306.362 3.777 20 5 DHBDRM C[C@H](c1ccco1)N(Cc1cc([O-])ccc1[N+](=O)[O-])C1CC1 ZINC000092483272 1019514813 /nfs/dbraw/zinc/51/48/13/1019514813.db2.gz LUHFMEQTZXSOBW-LLVKDONJSA-N -1 0 302.330 3.619 20 5 DHBDRM O=C([O-])c1cc(NCc2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000013179350 1020044948 /nfs/dbraw/zinc/04/49/48/1020044948.db2.gz WRQIKLATAOKSEK-UHFFFAOYSA-N -1 0 306.705 3.559 20 5 DHBDRM COc1ccc([C@H](C)N(C)Cc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000338885602 1020313161 /nfs/dbraw/zinc/31/31/61/1020313161.db2.gz ARYMYWXDHXDSDU-LBPRGKRZSA-N -1 0 316.357 3.502 20 5 DHBDRM Cc1cccc(O)c1NC(=O)c1ccc([N+](=O)[O-])cc1Cl ZINC000179548173 1020405304 /nfs/dbraw/zinc/40/53/04/1020405304.db2.gz WMQIXHPDERKZFJ-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1[O-] ZINC000179722974 1020435930 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DHBDRM CSc1ccc([C@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1 ZINC000339157210 1024576516 /nfs/dbraw/zinc/57/65/16/1024576516.db2.gz XRHYSMZYLYFKFR-NSHDSACASA-N -1 0 318.398 3.873 20 5 DHBDRM Cc1cc(Cl)ccc1NC(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000538967320 1033235065 /nfs/dbraw/zinc/23/50/65/1033235065.db2.gz DYTWAUWXTXSIRI-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])C1CCCCC1 ZINC001138013160 1028506802 /nfs/dbraw/zinc/50/68/02/1028506802.db2.gz IHJMHFAAQRADCV-NSHDSACASA-N -1 0 306.362 3.845 20 5 DHBDRM O=C(/C=C/c1ccsc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000777823899 1031607502 /nfs/dbraw/zinc/60/75/02/1031607502.db2.gz QPVVMGXSNZZRJX-OWOJBTEDSA-N -1 0 324.745 3.667 20 5 DHBDRM COc1c(Cl)cccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504454 1034462330 /nfs/dbraw/zinc/46/23/30/1034462330.db2.gz OHWVFSDDLVSGGS-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CNC1(c2ccc(Cl)cc2)CC1 ZINC000555420251 1034688832 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O=S(=O)([N-]c1cccc2cc3ccccc3cc21)c1c[nH]cn1 ZINC001187761653 1037723941 /nfs/dbraw/zinc/72/39/41/1037723941.db2.gz ZMQWBMBCELQJLS-UHFFFAOYSA-N -1 0 323.377 3.517 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CNC1(c2ccccc2F)CCC1 ZINC000592144229 1039136897 /nfs/dbraw/zinc/13/68/97/1039136897.db2.gz FILOADRUFLPSAU-UHFFFAOYSA-N -1 0 316.332 3.609 20 5 DHBDRM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F ZINC000594017789 1039945681 /nfs/dbraw/zinc/94/56/81/1039945681.db2.gz NYVPQIWSTDUMES-OAHLLOKOSA-N -1 0 304.321 3.680 20 5 DHBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C1CCC(F)CC1 ZINC000595277608 1040096525 /nfs/dbraw/zinc/09/65/25/1040096525.db2.gz OSVSAERMRXNTGE-WHXUTIOJSA-N -1 0 310.325 3.622 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CSCc1cc(C2CC2)no1 ZINC000596412283 1040439716 /nfs/dbraw/zinc/43/97/16/1040439716.db2.gz ZIVSVJXDESKHKD-UHFFFAOYSA-N -1 0 306.343 3.599 20 5 DHBDRM CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000609045492 1040668502 /nfs/dbraw/zinc/66/85/02/1040668502.db2.gz QJCQPWPZZJHKPL-JSGCOSHPSA-N -1 0 320.389 3.635 20 5 DHBDRM C[C@@H](c1ccccc1)n1ccc([N-]c2ncccc2[N+](=O)[O-])n1 ZINC000610735287 430566282 /nfs/dbraw/zinc/56/62/82/430566282.db2.gz UMTRIZKZGBNNPW-LBPRGKRZSA-N -1 0 309.329 3.539 20 5 DHBDRM CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000391771469 335095141 /nfs/dbraw/zinc/09/51/41/335095141.db2.gz FLJPVYRZYVQOHE-GFCCVEGCSA-N -1 0 320.389 3.589 20 5 DHBDRM CC[C@@H](CC(F)(F)F)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000518777086 333151806 /nfs/dbraw/zinc/15/18/06/333151806.db2.gz QRWFFZROJDRDKH-QMMMGPOBSA-N -1 0 320.267 3.744 20 5 DHBDRM Cc1ccccc1[C@@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000535502917 334737011 /nfs/dbraw/zinc/73/70/11/334737011.db2.gz AJRGOAHLHPZXBB-LBPRGKRZSA-N -1 0 314.341 3.741 20 5 DHBDRM O=C(Nc1cccc2ccsc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356764653 336560319 /nfs/dbraw/zinc/56/03/19/336560319.db2.gz IJKNKCQZPTVMKM-UHFFFAOYSA-N -1 0 314.322 3.767 20 5 DHBDRM C[C@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000360705082 336719529 /nfs/dbraw/zinc/71/95/29/336719529.db2.gz NIKDSKSFRBVCBI-AAEUAGOBSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1cnc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)s1 ZINC000583696326 337050531 /nfs/dbraw/zinc/05/05/31/337050531.db2.gz OMNFCGQHEUYDSX-SECBINFHSA-N -1 0 321.358 3.539 20 5 DHBDRM Cc1noc(-c2ccccc2)c1NC(=O)c1cccc([N+](=O)[O-])c1 ZINC000183382543 337191584 /nfs/dbraw/zinc/19/15/84/337191584.db2.gz CDDWPWWWJMGJBO-UHFFFAOYSA-N -1 0 323.308 3.811 20 5 DHBDRM O=C([O-])c1cc(NC[C@@H]2CCCC(F)(F)C2)ccc1[N+](=O)[O-] ZINC000571926485 337582058 /nfs/dbraw/zinc/58/20/58/337582058.db2.gz RTOKJMADFMENGE-SECBINFHSA-N -1 0 314.288 3.530 20 5 DHBDRM CC(C)c1ccccc1N(C)C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436779016 338286900 /nfs/dbraw/zinc/28/69/00/338286900.db2.gz INHJDQKXWYRDEE-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM CC(C)c1ccccc1N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436773333 338287010 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C[C@H](Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000827768228 600751620 /nfs/dbraw/zinc/75/16/20/600751620.db2.gz PLACXZYNURQZAZ-NSHDSACASA-N -1 0 315.329 3.536 20 5 DHBDRM O=C([O-])/C=C\c1ccc(NCC(C2CC2)C2CC2)c([N+](=O)[O-])c1 ZINC000833196557 600824609 /nfs/dbraw/zinc/82/46/09/600824609.db2.gz AOSOEQRMLHZWEA-WAPJZHGLSA-N -1 0 316.357 3.541 20 5 DHBDRM O=C([O-])c1ccc(COc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000070088922 601347240 /nfs/dbraw/zinc/34/72/40/601347240.db2.gz ZTCHYDYBWUJRGL-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM O=C([O-])c1ccc(F)c(NCc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000833319638 602162377 /nfs/dbraw/zinc/16/23/77/602162377.db2.gz OPDOLBZVJLSQFS-UHFFFAOYSA-N -1 0 324.695 3.698 20 5 DHBDRM O=C([O-])c1ccc(CSc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC000062765940 957611629 /nfs/dbraw/zinc/61/16/29/957611629.db2.gz VAWFGVHOKYQOFX-UHFFFAOYSA-N -1 0 307.302 3.724 20 5 DHBDRM Cc1ccc(Nc2cccc(CCC(=O)[O-])c2)c([N+](=O)[O-])c1 ZINC001594373365 958563287 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CCC[C@H]1CCCC[C@@H]1CNC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC001299371521 1024768765 /nfs/dbraw/zinc/76/87/65/1024768765.db2.gz ACIIVGWELAYLNZ-QWHCGFSZSA-N -1 0 320.389 3.637 20 5 DHBDRM Cc1cc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc([N+](=O)[O-])c1 ZINC000805257026 1025568668 /nfs/dbraw/zinc/56/86/68/1025568668.db2.gz NUFHBUBSHWBBNV-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccc(Cl)c1 ZINC001141472255 1026477403 /nfs/dbraw/zinc/47/74/03/1026477403.db2.gz HOQGIQRBVTVCKR-UHFFFAOYSA-N -1 0 320.732 3.621 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN[C@@H](CC(F)F)c1ccccc1 ZINC000421003599 1026910487 /nfs/dbraw/zinc/91/04/87/1026910487.db2.gz ZCRNDRDWGMJDBD-AWEZNQCLSA-N -1 0 322.311 3.787 20 5 DHBDRM CCN(Cc1ccc(C)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559066729 1031081424 /nfs/dbraw/zinc/08/14/24/1031081424.db2.gz ODSPHALPASIRJS-UHFFFAOYSA-N -1 0 300.358 3.631 20 5 DHBDRM Cc1cc(Cl)ccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000006070107 1031584894 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O=C([O-])c1ccc(Nc2ccccc2C(F)F)cc1[N+](=O)[O-] ZINC001174504069 1034462644 /nfs/dbraw/zinc/46/26/44/1034462644.db2.gz BZENSPXHRZEPDL-UHFFFAOYSA-N -1 0 308.240 3.974 20 5 DHBDRM CC[C@H](CC1CCCC1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000483439472 1035271443 /nfs/dbraw/zinc/27/14/43/1035271443.db2.gz KUBAGFSJOXYWHC-GFCCVEGCSA-N -1 0 306.362 3.845 20 5 DHBDRM Cc1cc(C)c(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(C)c1N ZINC001176680212 1035312991 /nfs/dbraw/zinc/31/29/91/1035312991.db2.gz SOOBWLRHGJHDRW-UHFFFAOYSA-N -1 0 315.329 3.544 20 5 DHBDRM O=C([O-])c1cc(Nc2cccc3cnccc32)cc([N+](=O)[O-])c1 ZINC001176678007 1035313149 /nfs/dbraw/zinc/31/31/49/1035313149.db2.gz HIAJECIPOBNXNC-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM CCC(=O)c1ccccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176680282 1035313177 /nfs/dbraw/zinc/31/31/77/1035313177.db2.gz XDJWWXJQDGUSQM-UHFFFAOYSA-N -1 0 314.297 3.629 20 5 DHBDRM CN(Cc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)c(Cl)c1 ZINC001192770516 1038699452 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Cc1ccnc([N-]c2ccn([C@@H](C)c3ccccc3)n2)c1[N+](=O)[O-] ZINC000610735163 435356088 /nfs/dbraw/zinc/35/60/88/435356088.db2.gz FILWZSPBSXZXKZ-ZDUSSCGKSA-N -1 0 323.356 3.848 20 5 DHBDRM Cc1cc(C)c([N+](=O)[O-])c([N-]c2ccn(CCC(C)C)n2)n1 ZINC000543791898 435648568 /nfs/dbraw/zinc/64/85/68/435648568.db2.gz OEQYDDQRGZLFPB-UHFFFAOYSA-N -1 0 303.366 3.593 20 5 DHBDRM CC1(C)CN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]1c1cccs1 ZINC000569372533 332066129 /nfs/dbraw/zinc/06/61/29/332066129.db2.gz URQPYBOZFPBTJZ-HNNXBMFYSA-N -1 0 318.398 3.945 20 5 DHBDRM CCCC[C@H](Sc1ccc([N+](=O)[O-])c2ncccc12)C(=O)[O-] ZINC000570060301 332707960 /nfs/dbraw/zinc/70/79/60/332707960.db2.gz IGXJKUDWBOBQPA-ZDUSSCGKSA-N -1 0 320.370 3.879 20 5 DHBDRM CN(C(=O)c1cccc([O-])c1[N+](=O)[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416283300 334659848 /nfs/dbraw/zinc/65/98/48/334659848.db2.gz FGVWHVZSCXQMMM-STQMWFEESA-N -1 0 320.389 3.587 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccc(Cl)cc1F ZINC000445549621 338499383 /nfs/dbraw/zinc/49/93/83/338499383.db2.gz OITTVBWXBZUTDJ-DUXPYHPUSA-N -1 0 322.679 3.651 20 5 DHBDRM CC(C)(C)[C@H]1CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000324486911 336222920 /nfs/dbraw/zinc/22/29/20/336222920.db2.gz HQLAZLRNNITHNN-LBPRGKRZSA-N -1 0 320.389 3.589 20 5 DHBDRM O=C(CCc1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000216597364 336275293 /nfs/dbraw/zinc/27/52/93/336275293.db2.gz FSYZOMVQTKAAQE-UHFFFAOYSA-N -1 0 320.732 3.525 20 5 DHBDRM Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c(Cl)c1 ZINC000031518019 336283611 /nfs/dbraw/zinc/28/36/11/336283611.db2.gz SQYBNKAMCPJCDQ-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1ccc(Cl)c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000357351342 336582092 /nfs/dbraw/zinc/58/20/92/336582092.db2.gz CISTUBUSPIWJSZ-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CC(C)(C)c1cnc(SCc2cc([O-])ccc2[N+](=O)[O-])o1 ZINC000436477505 338273692 /nfs/dbraw/zinc/27/36/92/338273692.db2.gz XNWRHCHDQIOOKJ-UHFFFAOYSA-N -1 0 308.359 3.878 20 5 DHBDRM COc1cc(-c2nc3cc(Cl)ccc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000436559748 338277160 /nfs/dbraw/zinc/27/71/60/338277160.db2.gz YXZWMKNWOYRXOS-UHFFFAOYSA-N -1 0 319.704 3.506 20 5 DHBDRM CCCn1c2cccc(F)c2nc1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436657920 338281806 /nfs/dbraw/zinc/28/18/06/338281806.db2.gz SKHFJGGHUBDRFB-UHFFFAOYSA-N -1 0 315.304 3.866 20 5 DHBDRM CSc1ccc(C)c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1 ZINC000436686030 338282915 /nfs/dbraw/zinc/28/29/15/338282915.db2.gz DIRHPUXVFHYAMC-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436750129 338285354 /nfs/dbraw/zinc/28/53/54/338285354.db2.gz VQQJEYPALXUVAQ-NWDGAFQWSA-N -1 0 320.389 3.587 20 5 DHBDRM CCC1(CC)CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436825368 338288777 /nfs/dbraw/zinc/28/87/77/338288777.db2.gz FWQINLJJJISLRV-UHFFFAOYSA-N -1 0 320.389 3.733 20 5 DHBDRM CC(C)C1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436951859 338295580 /nfs/dbraw/zinc/29/55/80/338295580.db2.gz UHHJDGNBAIQCKZ-UHFFFAOYSA-N -1 0 320.389 3.587 20 5 DHBDRM CC(C)(C)[C@@H]1CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436972025 338296275 /nfs/dbraw/zinc/29/62/75/338296275.db2.gz MGJUGBRNLIFVOL-GFCCVEGCSA-N -1 0 320.389 3.589 20 5 DHBDRM CSc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C ZINC000436982325 338296695 /nfs/dbraw/zinc/29/66/95/338296695.db2.gz XDGDVGVMBGCPIE-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM CSc1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])s1 ZINC000439275300 338365710 /nfs/dbraw/zinc/36/57/10/338365710.db2.gz QNVJPCBPOKHITP-RQOWECAXSA-N -1 0 322.367 3.642 20 5 DHBDRM C[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000483433942 339665547 /nfs/dbraw/zinc/66/55/47/339665547.db2.gz MZUPXRLNBITBPT-VIFPVBQESA-N -1 0 320.732 3.696 20 5 DHBDRM CC(C)c1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000302692226 340279070 /nfs/dbraw/zinc/27/90/70/340279070.db2.gz ZLFZCKPUIGPZKC-VMPITWQZSA-N -1 0 312.325 3.982 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2noc(-c3ccc(Cl)cc3[O-])n2)cc1 ZINC000316082107 340678205 /nfs/dbraw/zinc/67/82/05/340678205.db2.gz QNQYHESHMIZGCH-UHFFFAOYSA-N -1 0 317.688 3.671 20 5 DHBDRM C[C@@H](CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000544403739 341080477 /nfs/dbraw/zinc/08/04/77/341080477.db2.gz BPUUUVSYIKIWLJ-JTQLQIEISA-N -1 0 318.304 3.572 20 5 DHBDRM O=C([O-])c1cc(NCCc2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000554530398 341456651 /nfs/dbraw/zinc/45/66/51/341456651.db2.gz GXNAVROQQIYQHF-UHFFFAOYSA-N -1 0 320.732 3.601 20 5 DHBDRM O=C([O-])/C=C\c1ccc(Oc2cccnc2Cl)c([N+](=O)[O-])c1 ZINC000739622750 600488808 /nfs/dbraw/zinc/48/88/08/600488808.db2.gz BVZFKQWJPLLCAX-XQRVVYSFSA-N -1 0 320.688 3.533 20 5 DHBDRM Cc1cc(N[C@@H](C)Cc2ccsc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897807 602315650 /nfs/dbraw/zinc/31/56/50/602315650.db2.gz ZAKLQSIHDJELCK-JTQLQIEISA-N -1 0 320.370 3.706 20 5 DHBDRM O=C([O-])[C@H](Sc1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000833169646 604792914 /nfs/dbraw/zinc/79/29/14/604792914.db2.gz LPFVMZYHZNPARW-GFCCVEGCSA-N -1 0 324.745 3.561 20 5 DHBDRM C[C@@H](CC(=O)[O-])NC(=O)c1c2ccccc2cc2ccccc21 ZINC001603127697 972221045 /nfs/dbraw/zinc/22/10/45/972221045.db2.gz SBAMHBYMFODPFF-LBPRGKRZSA-N -1 0 307.349 3.586 20 5 DHBDRM O=C([O-])c1ccc(OCc2cccc(Cl)c2)c([N+](=O)[O-])c1 ZINC000013053721 956915712 /nfs/dbraw/zinc/91/57/12/956915712.db2.gz KLXCMZBVXBSICO-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM CCCC[C@H](Sc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000563430391 974531068 /nfs/dbraw/zinc/53/10/68/974531068.db2.gz ASWOVERDQPFMRO-AWEZNQCLSA-N -1 0 320.370 3.879 20 5 DHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(N2CCC[C@@H]2c2cccs2)c1 ZINC000592967126 974976790 /nfs/dbraw/zinc/97/67/90/974976790.db2.gz PDVZXARYJZIRMH-GFCCVEGCSA-N -1 0 318.354 3.696 20 5 DHBDRM O=C(C[C@H]1C=CCCC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000428018897 1014565429 /nfs/dbraw/zinc/56/54/29/1014565429.db2.gz AXJYPWILUZWKLE-VIFPVBQESA-N -1 0 310.737 3.639 20 5 DHBDRM CCC(CC)(CC)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595057703 979302169 /nfs/dbraw/zinc/30/21/69/979302169.db2.gz DZWCZMQTOVQFAO-UHFFFAOYSA-N -1 0 309.366 3.625 20 5 DHBDRM CCCCCC[C@H](C)Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595696525 982229743 /nfs/dbraw/zinc/22/97/43/982229743.db2.gz AOOGLUVMMAVFJM-JTQLQIEISA-N -1 0 309.366 3.767 20 5 DHBDRM C/C(=C/Cl)CSc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001588990810 984912363 /nfs/dbraw/zinc/91/23/63/984912363.db2.gz HMOQHLCTFOPGIB-PKWCJPJFSA-N -1 0 313.762 3.927 20 5 DHBDRM C/C=C/C[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001594685468 987053985 /nfs/dbraw/zinc/05/39/85/987053985.db2.gz CGVSLUHFDAPOCI-ITDFMYJTSA-N -1 0 318.373 3.784 20 5 DHBDRM CC(C)(CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC001590693682 990409577 /nfs/dbraw/zinc/40/95/77/990409577.db2.gz YBFGCTMHNNYQRA-XBXARRHUSA-N -1 0 318.373 3.931 20 5 DHBDRM CC(C)[C@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001591089336 991632960 /nfs/dbraw/zinc/63/29/60/991632960.db2.gz VQIDYWUSGJLQDD-WCQYABFASA-N -1 0 306.362 3.920 20 5 DHBDRM CC(C)C[C@@H]1C[C@H]1Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001591448502 992552577 /nfs/dbraw/zinc/55/25/77/992552577.db2.gz NIWFNAUJOMRAJI-FAQJLRJSSA-N -1 0 304.346 3.539 20 5 DHBDRM CC1(C)CCC(Sc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC001593883549 996716421 /nfs/dbraw/zinc/71/64/21/996716421.db2.gz KQXCBXFIJOFOFI-UHFFFAOYSA-N -1 0 310.375 3.749 20 5 DHBDRM CC1(C)CCC[C@@H](CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001593888308 996731558 /nfs/dbraw/zinc/73/15/58/996731558.db2.gz WCXHPWYPTHTRHC-LLVKDONJSA-N -1 0 306.362 3.921 20 5 DHBDRM CC1(C)CCCC[C@H]1COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593903652 996775735 /nfs/dbraw/zinc/77/57/35/996775735.db2.gz HFLFCGZJBGYFIE-NSHDSACASA-N -1 0 307.346 3.888 20 5 DHBDRM COc1cc(Oc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])ccc1F ZINC001599456755 998201624 /nfs/dbraw/zinc/20/16/24/998201624.db2.gz XVIKRWCIRCIFEC-UHFFFAOYSA-N -1 0 321.260 3.541 20 5 DHBDRM C[C@@H]1CC[C@@H](CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594308365 999190640 /nfs/dbraw/zinc/19/06/40/999190640.db2.gz JHFVFRGXUCTHBI-BVKQBWKVSA-N -1 0 304.346 3.541 20 5 DHBDRM C[C@@H]1CCC[C@@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001594359890 999360964 /nfs/dbraw/zinc/36/09/64/999360964.db2.gz PONMFKPGBBVWHB-LDFZLWBNSA-N -1 0 304.346 3.541 20 5 DHBDRM CC[C@H](Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000097824129 1012911175 /nfs/dbraw/zinc/91/11/75/1012911175.db2.gz UHBYBPWKJWCCGA-QMMMGPOBSA-N -1 0 309.265 3.569 20 5 DHBDRM O=C(CC/C=C/c1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000089541001 1032690991 /nfs/dbraw/zinc/69/09/91/1032690991.db2.gz VNLMKSZWPNQZKV-XBXARRHUSA-N -1 0 312.325 3.733 20 5 DHBDRM Cc1ccc([N+](=O)[O-])c([N-]c2ccn([C@@H](C)c3ccccc3)n2)n1 ZINC000765527532 1018872335 /nfs/dbraw/zinc/87/23/35/1018872335.db2.gz PKKRHPYWMLBXLW-ZDUSSCGKSA-N -1 0 323.356 3.848 20 5 DHBDRM Cc1ccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1Cl ZINC000235895166 1020050716 /nfs/dbraw/zinc/05/07/16/1020050716.db2.gz FCWXKTMXXNIAKF-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000021290610 1020342344 /nfs/dbraw/zinc/34/23/44/1020342344.db2.gz PUYVIPFXRRRHOA-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1Cl ZINC000230303043 1020564857 /nfs/dbraw/zinc/56/48/57/1020564857.db2.gz FLMNXKWFDJBKOV-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=[N+]([O-])c1cnc([N-]c2ccn(-c3ccccc3)n2)c(Cl)c1 ZINC000736285987 1020808530 /nfs/dbraw/zinc/80/85/30/1020808530.db2.gz CULOELOFUZZWJU-UHFFFAOYSA-N -1 0 315.720 3.573 20 5 DHBDRM C[C@@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1ccc(F)c(Cl)c1 ZINC000920164487 1022067387 /nfs/dbraw/zinc/06/73/87/1022067387.db2.gz WHEKIZZDKMLBIB-SSDOTTSWSA-N -1 0 312.684 3.633 20 5 DHBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416290052 1022238973 /nfs/dbraw/zinc/23/89/73/1022238973.db2.gz MRJMYMAHSUJKKE-STQMWFEESA-N -1 0 320.389 3.587 20 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/nfs/dbraw/zinc/74/40/90/1025744090.db2.gz QSSLHISNFYHDDB-UHFFFAOYSA-N -1 0 312.325 3.820 20 5 DHBDRM CSc1c(F)cccc1[N-]C(=O)c1ccc([N+](=O)[O-])s1 ZINC001130858404 1026026564 /nfs/dbraw/zinc/02/65/64/1026026564.db2.gz YTBKGALEGWSVRS-UHFFFAOYSA-N -1 0 312.347 3.770 20 5 DHBDRM CCCC[C@@H](Sc1ccc([N+](=O)[O-])c(C(C)=O)c1)C(=O)[O-] ZINC000566985236 1028815911 /nfs/dbraw/zinc/81/59/11/1028815911.db2.gz BKBHJHNQXMZALZ-CYBMUJFWSA-N -1 0 311.359 3.533 20 5 DHBDRM Cc1nc(C(C)C)sc1[C@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000779316558 1029094147 /nfs/dbraw/zinc/09/41/47/1029094147.db2.gz DZUOCTLRMKACQR-VIFPVBQESA-N -1 0 323.374 3.729 20 5 DHBDRM CCOc1ccc(F)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504981 1034461424 /nfs/dbraw/zinc/46/14/24/1034461424.db2.gz OAGAKNOKSDHPKP-UHFFFAOYSA-N -1 0 320.276 3.574 20 5 DHBDRM O=C([O-])c1ccc(Nc2cccc(C3CCC3)n2)cc1[N+](=O)[O-] ZINC001174504149 1034461835 /nfs/dbraw/zinc/46/18/35/1034461835.db2.gz VOACSORJMBISGY-UHFFFAOYSA-N -1 0 313.313 3.699 20 5 DHBDRM O=C([O-])c1ccc(Nc2cnccc2C2CCC2)cc1[N+](=O)[O-] ZINC001174503462 1034462553 /nfs/dbraw/zinc/46/25/53/1034462553.db2.gz AXSQJBUVWMLSRD-UHFFFAOYSA-N -1 0 313.313 3.699 20 5 DHBDRM COc1cc(Cl)cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174507101 1034464768 /nfs/dbraw/zinc/46/47/68/1034464768.db2.gz BWBGOGRHQONFRR-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM COc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC001176676258 1035312175 /nfs/dbraw/zinc/31/21/75/1035312175.db2.gz BPLUGLLOWLGAQR-UHFFFAOYSA-N -1 0 322.704 3.699 20 5 DHBDRM O=C([O-])c1cc(Nc2ccccc2C(F)F)cc([N+](=O)[O-])c1 ZINC001176677373 1035312884 /nfs/dbraw/zinc/31/28/84/1035312884.db2.gz VCYCNPFUTQQDLV-UHFFFAOYSA-N -1 0 308.240 3.974 20 5 DHBDRM O=C([O-])c1cc(Nc2cccc3cccnc32)cc([N+](=O)[O-])c1 ZINC001176678004 1035312942 /nfs/dbraw/zinc/31/29/42/1035312942.db2.gz HFPDDQWZZQRBGX-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM Cc1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc(C)c1F ZINC001176680829 1035313159 /nfs/dbraw/zinc/31/31/59/1035313159.db2.gz ZXOQVLDGFUCFFR-UHFFFAOYSA-N -1 0 304.277 3.793 20 5 DHBDRM CC(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1 ZINC000027637531 1036583579 /nfs/dbraw/zinc/58/35/79/1036583579.db2.gz YDFBIYPJHPHKJK-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM CC(C)(C)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000032419565 1036820808 /nfs/dbraw/zinc/82/08/08/1036820808.db2.gz HDAOSVMWXXBPDL-OLZOCXBDSA-N -1 0 320.389 3.635 20 5 DHBDRM C[C@H](CCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000166154718 1038665795 /nfs/dbraw/zinc/66/57/95/1038665795.db2.gz PBDVYNILKMXVIX-GFCCVEGCSA-N -1 0 314.341 3.823 20 5 DHBDRM CCCC[C@@H](Sc1nccc2c1cccc2[N+](=O)[O-])C(=O)[O-] ZINC000594736312 1039902524 /nfs/dbraw/zinc/90/25/24/1039902524.db2.gz PMJZJGQSPCQQAU-CYBMUJFWSA-N -1 0 320.370 3.879 20 5 DHBDRM O=c1[nH]ccc(N[C@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000596058009 1040292229 /nfs/dbraw/zinc/29/22/29/1040292229.db2.gz FULYLKQSMIPYFP-ZDUSSCGKSA-N -1 0 319.748 3.912 20 5 DHBDRM CCCc1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000318495791 332886143 /nfs/dbraw/zinc/88/61/43/332886143.db2.gz DMOAZSBECVZBHU-UHFFFAOYSA-N -1 0 300.314 3.505 20 5 DHBDRM CCCC[C@@H](Sc1nccc2cc([N+](=O)[O-])ccc21)C(=O)[O-] ZINC000570942416 332914635 /nfs/dbraw/zinc/91/46/35/332914635.db2.gz QOUQCEANNLVGAG-CYBMUJFWSA-N -1 0 320.370 3.879 20 5 DHBDRM CC(C)(C)c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000322991058 331583630 /nfs/dbraw/zinc/58/36/30/331583630.db2.gz YUYCUOBTVXPRKN-UHFFFAOYSA-N -1 0 314.341 3.850 20 5 DHBDRM CC(C)Cn1ncc(Nc2ncc([N+](=O)[O-])s2)c1C(C)C ZINC000409730376 332050958 /nfs/dbraw/zinc/05/09/58/332050958.db2.gz HNICJKPJVGCYKA-UHFFFAOYSA-N -1 0 309.395 3.771 20 5 DHBDRM CC[C@@H](Nc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-])c1ccccc1 ZINC000518540615 332076926 /nfs/dbraw/zinc/07/69/26/332076926.db2.gz UTHQRUABYDYMDU-CYBMUJFWSA-N -1 0 315.329 3.560 20 5 DHBDRM O=C(C[C@@H]1C=CCCC1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000428018896 332591578 /nfs/dbraw/zinc/59/15/78/332591578.db2.gz AXJYPWILUZWKLE-SECBINFHSA-N -1 0 310.737 3.639 20 5 DHBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(Cl)c1 ZINC000183296621 333054019 /nfs/dbraw/zinc/05/40/19/333054019.db2.gz JDJBHXOGJWHTLA-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CC(C)CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])c1ccccc1 ZINC000323466992 333338467 /nfs/dbraw/zinc/33/84/67/333338467.db2.gz KGKJQJKBKXVIQC-UHFFFAOYSA-N -1 0 314.341 3.603 20 5 DHBDRM Cc1ccc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc1[N+](=O)[O-] ZINC000184165562 333342960 /nfs/dbraw/zinc/34/29/60/333342960.db2.gz WJJGWWBIDMTYPS-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM C[C@@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1F ZINC000089531148 337870880 /nfs/dbraw/zinc/87/08/80/337870880.db2.gz BIQWJIQWTOSOPD-JTQLQIEISA-N -1 0 318.304 3.572 20 5 DHBDRM O=C([O-])CCCCCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000315189358 337981960 /nfs/dbraw/zinc/98/19/60/337981960.db2.gz KRHUEKPALXNQDE-UHFFFAOYSA-N -1 0 320.267 3.671 20 5 DHBDRM COc1cccc(CSCc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000436473012 338273425 /nfs/dbraw/zinc/27/34/25/338273425.db2.gz DLDLUBBSNWLZPV-UHFFFAOYSA-N -1 0 305.355 3.742 20 5 DHBDRM O=C(N[C@H]1CCCCC12CCCC2)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436657438 338281948 /nfs/dbraw/zinc/28/19/48/338281948.db2.gz QCGZSEIUVSIXID-HNNXBMFYSA-N -1 0 318.373 3.533 20 5 DHBDRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436741204 338285092 /nfs/dbraw/zinc/28/50/92/338285092.db2.gz SIDRXNYZXYOBBX-NWDGAFQWSA-N -1 0 320.389 3.587 20 5 DHBDRM CC(C)(C)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000436999064 338297334 /nfs/dbraw/zinc/29/73/34/338297334.db2.gz IPEDEPAKRAVSBQ-GFCCVEGCSA-N -1 0 320.389 3.589 20 5 DHBDRM Cc1ccc(/C=C\c2nc3c(cccc3C(=O)[O-])o2)cc1[N+](=O)[O-] ZINC000439274828 338365717 /nfs/dbraw/zinc/36/57/17/338365717.db2.gz MQBUBSNSEFUCNX-FPLPWBNLSA-N -1 0 324.292 3.913 20 5 DHBDRM CC(C)C[C@H](C)C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000462767364 339087542 /nfs/dbraw/zinc/08/75/42/339087542.db2.gz LTKXQMMSKOUERR-QMMMGPOBSA-N -1 0 300.742 3.575 20 5 DHBDRM CCc1cccc(F)c1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000480047223 339556701 /nfs/dbraw/zinc/55/67/01/339556701.db2.gz IUJRQVZKYAVTTD-SREVYHEPSA-N -1 0 316.288 3.560 20 5 DHBDRM O=C([O-])C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2o1 ZINC000496519789 340007095 /nfs/dbraw/zinc/00/70/95/340007095.db2.gz LYEAIDKBYVUJQT-FMIVXFBMSA-N -1 0 324.292 3.751 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc(Cl)ccc1F ZINC000512297134 340356145 /nfs/dbraw/zinc/35/61/45/340356145.db2.gz ZVHZPHNLTNRPDT-DAFODLJHSA-N -1 0 322.679 3.651 20 5 DHBDRM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cccc(Cl)c1 ZINC000549997617 341308441 /nfs/dbraw/zinc/30/84/41/341308441.db2.gz NRVCIDVUFUMEEA-SNVBAGLBSA-N -1 0 306.749 3.805 20 5 DHBDRM CCc1ccc(C(=O)[O-])cc1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000551058082 341330464 /nfs/dbraw/zinc/33/04/64/341330464.db2.gz YUZXZOQUKOLLIT-UHFFFAOYSA-N -1 0 314.341 3.776 20 5 DHBDRM CC(C)(C)SCCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183907858 518910038 /nfs/dbraw/zinc/91/00/38/518910038.db2.gz GNVDOMFULUCXCR-UHFFFAOYSA-N -1 0 312.391 3.551 20 5 DHBDRM CC(C)(C)[C@H]1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000339280165 518974989 /nfs/dbraw/zinc/97/49/89/518974989.db2.gz GJIJAQGTEUGROI-LBPRGKRZSA-N -1 0 320.389 3.589 20 5 DHBDRM O=C([O-])NCc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC000740001057 600314416 /nfs/dbraw/zinc/31/44/16/600314416.db2.gz OFDFBPSFBQAPOU-UHFFFAOYSA-N -1 0 321.720 3.759 20 5 DHBDRM O=C([O-])/C=C\c1ccc(Nc2ccc3[nH]ccc3c2)c([N+](=O)[O-])c1 ZINC000739624403 600389542 /nfs/dbraw/zinc/38/95/42/600389542.db2.gz JBKFAUABOIHHFM-KXFIGUGUSA-N -1 0 323.308 3.918 20 5 DHBDRM Cc1c(CNc2ccc(Cl)c(C(=O)[O-])c2)cccc1[N+](=O)[O-] ZINC000738202678 600676004 /nfs/dbraw/zinc/67/60/04/600676004.db2.gz UUQPSXHKWCGXLF-UHFFFAOYSA-N -1 0 320.732 3.867 20 5 DHBDRM O=C([O-])c1cc(Cl)cc(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000740072978 600678134 /nfs/dbraw/zinc/67/81/34/600678134.db2.gz YZOWODRKLNTALE-UHFFFAOYSA-N -1 0 306.705 3.559 20 5 DHBDRM Cc1ccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000832934286 601544976 /nfs/dbraw/zinc/54/49/76/601544976.db2.gz NNTFFKFGLKZWOT-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM Cc1ccc([N+](=O)[O-])c(Nc2ccc(N(C)C(=O)[O-])cc2)c1 ZINC000832958206 601560282 /nfs/dbraw/zinc/56/02/82/601560282.db2.gz PUVGXOKSACPRCT-UHFFFAOYSA-N -1 0 301.302 3.761 20 5 DHBDRM Cc1cc(NCc2ccc(Cl)c([N+](=O)[O-])c2)ccc1C(=O)[O-] ZINC000832897543 602162399 /nfs/dbraw/zinc/16/23/99/602162399.db2.gz RYPJPKPVGBXJAW-UHFFFAOYSA-N -1 0 320.732 3.867 20 5 DHBDRM Cc1cc(N2Cc3ccccc3[C@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891919 602321205 /nfs/dbraw/zinc/32/12/05/602321205.db2.gz KOZUROVUCAKQMM-LLVKDONJSA-N -1 0 312.325 3.683 20 5 DHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ccccc2Cl)c1 ZINC000013187116 956970014 /nfs/dbraw/zinc/97/00/14/956970014.db2.gz BBNSGUKINQOZLU-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2ccc(Cl)s2)c1 ZINC000048695730 957458535 /nfs/dbraw/zinc/45/85/35/957458535.db2.gz BIBWOTFWZJIDLW-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM CC(C)c1ccoc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000340002690 1013196430 /nfs/dbraw/zinc/19/64/30/1013196430.db2.gz JVNRBAVYRXQZDA-UHFFFAOYSA-N -1 0 324.720 3.923 20 5 DHBDRM CC(=O)c1ccc(Cl)c(Nc2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC001210397914 1013831685 /nfs/dbraw/zinc/83/16/85/1013831685.db2.gz ICJMSRNZQDLICX-UHFFFAOYSA-N -1 0 306.705 3.900 20 5 DHBDRM CC(C)(C)c1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000427910707 1014552597 /nfs/dbraw/zinc/55/25/97/1014552597.db2.gz HMDFZQYZLVRNAS-UHFFFAOYSA-N -1 0 314.341 3.850 20 5 DHBDRM C[C@H](CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001592729618 979244340 /nfs/dbraw/zinc/24/43/40/979244340.db2.gz OEISUKYIXQBAEV-SNVBAGLBSA-N -1 0 318.304 3.648 20 5 DHBDRM CCCC[C@H](SCc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-] ZINC001595657866 982066928 /nfs/dbraw/zinc/06/69/28/982066928.db2.gz URMNZSBDFWZPTL-LBPRGKRZSA-N -1 0 301.339 3.611 20 5 DHBDRM CCCCC1CCC(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC001595661744 982076841 /nfs/dbraw/zinc/07/68/41/982076841.db2.gz XFINTCSICLECCW-UHFFFAOYSA-N -1 0 321.377 3.849 20 5 DHBDRM C[C@@H]1CCC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000914786078 982659007 /nfs/dbraw/zinc/65/90/07/982659007.db2.gz KIPPEHOTXUFKQF-RXVTVFCNSA-N -1 0 304.346 3.683 20 5 DHBDRM C[C@@H]1CCC[C@@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000914786077 982659125 /nfs/dbraw/zinc/65/91/25/982659125.db2.gz KIPPEHOTXUFKQF-LDFZLWBNSA-N -1 0 304.346 3.683 20 5 DHBDRM Cc1ccccc1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000920961952 982695752 /nfs/dbraw/zinc/69/57/52/982695752.db2.gz ZVWBXPDIOFCARM-CLFYSBASSA-N -1 0 312.325 3.613 20 5 DHBDRM C[C@H](Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-])c1cccs1 ZINC000920959210 982695794 /nfs/dbraw/zinc/69/57/94/982695794.db2.gz DZSPJOLOWVYJOS-BXKUYDPTSA-N -1 0 318.354 3.927 20 5 DHBDRM CC(C)CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)C(C)(C)C ZINC000522398001 1015115812 /nfs/dbraw/zinc/11/58/12/1015115812.db2.gz CJXWVNFJBQFFMR-HNNXBMFYSA-N -1 0 322.405 3.881 20 5 DHBDRM CS[C@H]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001599789053 987975672 /nfs/dbraw/zinc/97/56/72/987975672.db2.gz OIHKHIWRSNTSCO-QWRGUYRKSA-N -1 0 324.402 3.688 20 5 DHBDRM CC(C)(C)CCCCC(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001589771914 988126638 /nfs/dbraw/zinc/12/66/38/988126638.db2.gz OEMIBYBNDWWEAX-UHFFFAOYSA-N -1 0 323.345 3.805 20 5 DHBDRM CSCCCSc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001599800183 988163127 /nfs/dbraw/zinc/16/31/27/988163127.db2.gz PKSKEWDPWYGYSV-UHFFFAOYSA-N -1 0 321.807 3.792 20 5 DHBDRM CCc1ccc(Nc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001597556227 988287228 /nfs/dbraw/zinc/28/72/28/988287228.db2.gz KCMOKBKVPMLXJV-UHFFFAOYSA-N -1 0 300.314 3.528 20 5 DHBDRM CC(C)CC(CC(C)C)Nc1nccc(C(=O)[O-])c1[N+](=O)[O-] ZINC001591143414 991869674 /nfs/dbraw/zinc/86/96/74/991869674.db2.gz RBBWVYZQOXYGOL-UHFFFAOYSA-N -1 0 309.366 3.561 20 5 DHBDRM CC1(C)CCCC[C@@H]1COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001593903650 996775652 /nfs/dbraw/zinc/77/56/52/996775652.db2.gz HFLFCGZJBGYFIE-LLVKDONJSA-N -1 0 307.346 3.888 20 5 DHBDRM C[C@@H]1CC[C@H](CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001594308368 999190615 /nfs/dbraw/zinc/19/06/15/999190615.db2.gz JHFVFRGXUCTHBI-QGSKFPASSA-N -1 0 304.346 3.541 20 5 DHBDRM C[C@@H]1CCC[C@@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001594359888 999361071 /nfs/dbraw/zinc/36/10/71/999361071.db2.gz PONMFKPGBBVWHB-CFLAWFISSA-N -1 0 304.346 3.541 20 5 DHBDRM C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)CC1 ZINC001594389569 999476244 /nfs/dbraw/zinc/47/62/44/999476244.db2.gz RKLHWQADXCGWLS-VIFPVBQESA-N -1 0 312.753 3.573 20 5 DHBDRM CC(C)(CNC(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1=CCCCC1 ZINC000478922757 1016802927 /nfs/dbraw/zinc/80/29/27/1016802927.db2.gz YEHNDYSRXRDBHI-UHFFFAOYSA-N -1 0 318.373 3.557 20 5 DHBDRM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000339076137 1016808537 /nfs/dbraw/zinc/80/85/37/1016808537.db2.gz VDADTQHHURVHSN-JTQLQIEISA-N -1 0 306.749 3.805 20 5 DHBDRM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cc2ccccc2o1 ZINC000339113728 1016814777 /nfs/dbraw/zinc/81/47/77/1016814777.db2.gz LDZXIVYXAHCAHX-NSHDSACASA-N -1 0 312.325 3.897 20 5 DHBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)cc1Cl ZINC000476498501 1032238539 /nfs/dbraw/zinc/23/85/39/1032238539.db2.gz DHDBAONYSWHRJU-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM C[C@H]1CCCC[C@@H]1c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445239371 1017799481 /nfs/dbraw/zinc/79/94/81/1017799481.db2.gz ZPUGYYKGPVYWPV-ONGXEEELSA-N -1 0 303.318 3.644 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1c1ccsc1 ZINC000338903442 1020613628 /nfs/dbraw/zinc/61/36/28/1020613628.db2.gz KUEAHRKHNBEKOA-CQSZACIVSA-N -1 0 304.371 3.699 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC[C@@H]1c1cccc(F)c1 ZINC000338927787 1021375398 /nfs/dbraw/zinc/37/53/98/1021375398.db2.gz CTDACNSLYWVXTA-MRXNPFEDSA-N -1 0 316.332 3.777 20 5 DHBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416294618 1022242059 /nfs/dbraw/zinc/24/20/59/1022242059.db2.gz SAWXAXSXIUQYIV-GJZGRUSLSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1cc(NC(=O)c2cccc(Cl)c2[O-])ccc1[N+](=O)[O-] ZINC001127550189 1022249606 /nfs/dbraw/zinc/24/96/06/1022249606.db2.gz WRKHCDQYZROVDO-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C(/C=C/Sc1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770858371 1023352385 /nfs/dbraw/zinc/35/23/85/1023352385.db2.gz SUTCAPZGFRSJRJ-CMDGGOBGSA-N -1 0 316.338 3.545 20 5 DHBDRM CCc1ccc(N(CC)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000772113098 1023514719 /nfs/dbraw/zinc/51/47/19/1023514719.db2.gz JGWFVPSUEXFIBY-UHFFFAOYSA-N -1 0 314.341 3.530 20 5 DHBDRM CCc1ccc(N(CC)C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000772114040 1023515839 /nfs/dbraw/zinc/51/58/39/1023515839.db2.gz TXANPTHEBVDRSG-UHFFFAOYSA-N -1 0 314.341 3.530 20 5 DHBDRM C/C(=C\c1cccc([N+](=O)[O-])c1)CNc1cccc(C(=O)[O-])c1 ZINC000789898138 1024186348 /nfs/dbraw/zinc/18/63/48/1024186348.db2.gz FVAMAFDTMWWCIL-XYOKQWHBSA-N -1 0 312.325 3.808 20 5 DHBDRM Cc1c2ccccc2oc1[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])[n-]1 ZINC000791969564 1024607152 /nfs/dbraw/zinc/60/71/52/1024607152.db2.gz SLGIDVAJVAXHLS-SNVBAGLBSA-N -1 0 314.297 3.896 20 5 DHBDRM C[C@@H](Oc1cc(Br)cc([N+](=O)[O-])c1)C1=CC=C[CH]1 ZINC001229146594 1025424248 /nfs/dbraw/zinc/42/42/48/1025424248.db2.gz VLNTXCXIXOXZKV-SECBINFHSA-N -1 0 309.139 3.825 20 5 DHBDRM CCC1(CC)CCCN(C(=O)c2cc([O-])ccc2[N+](=O)[O-])CC1 ZINC000355172482 1025620978 /nfs/dbraw/zinc/62/09/78/1025620978.db2.gz OHWWTJFWHFLPGY-UHFFFAOYSA-N -1 0 320.389 3.733 20 5 DHBDRM CC(C)CC[C@@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136060703 1029278608 /nfs/dbraw/zinc/27/86/08/1029278608.db2.gz ORSXIFCNJJJCCH-SECBINFHSA-N -1 0 314.769 3.508 20 5 DHBDRM CCSc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000073133913 1030590700 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O=S(=O)([N-]c1ccc2nc3ccccc3cc2c1)c1ccco1 ZINC001186856651 1037520952 /nfs/dbraw/zinc/52/09/52/1037520952.db2.gz RROPMWMKIWLHCO-UHFFFAOYSA-N -1 0 324.361 3.782 20 5 DHBDRM Cc1ccc(C(C)(C)C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000534068122 1040702228 /nfs/dbraw/zinc/70/22/28/1040702228.db2.gz KQZHQMQIWNIUSD-UHFFFAOYSA-N -1 0 314.341 3.525 20 5 DHBDRM CC(/C=C\c1cc(C(=O)[O-])ccn1)=C/c1cccc([N+](=O)[O-])c1 ZINC000569751234 332674712 /nfs/dbraw/zinc/67/47/12/332674712.db2.gz GJXCWZCEZYEGIX-ZGCJARKRSA-N -1 0 310.309 3.805 20 5 DHBDRM Cc1ccc(Cl)c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000183280788 333054049 /nfs/dbraw/zinc/05/40/49/333054049.db2.gz XHUZKRQQFSXSJZ-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1cc(Cl)ccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183327565 333055259 /nfs/dbraw/zinc/05/52/59/333055259.db2.gz HCPXYROBZCONBU-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416320006 334662973 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CCC[C@@H](NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1ccccc1 ZINC000358104888 336611913 /nfs/dbraw/zinc/61/19/13/336611913.db2.gz ZSAGPZGKSVBGAD-CQSZACIVSA-N -1 0 314.341 3.572 20 5 DHBDRM O=C(Nc1cccc(C2CCC2)c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000428491365 338054949 /nfs/dbraw/zinc/05/49/49/338054949.db2.gz VHOFBNUISSDVLB-UHFFFAOYSA-N -1 0 312.325 3.820 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc(-c3cc4ccccc4o3)no2)cc1[O-] ZINC000429877545 338091351 /nfs/dbraw/zinc/09/13/51/338091351.db2.gz MBDYENAROVGEGI-UHFFFAOYSA-N -1 0 323.264 3.764 20 5 DHBDRM CC(C)C1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000432556570 338158839 /nfs/dbraw/zinc/15/88/39/338158839.db2.gz XSHZOEDDCNJRMI-UHFFFAOYSA-N -1 0 320.389 3.587 20 5 DHBDRM O=[N+]([O-])c1cc(-c2nc3c(cccc3F)n2C2CC2)ccc1[O-] ZINC000436657883 338281834 /nfs/dbraw/zinc/28/18/34/338281834.db2.gz RVXPJKBFOYXORH-UHFFFAOYSA-N -1 0 313.288 3.791 20 5 DHBDRM CC(C)CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000436718268 338283968 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O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(Cl)ccc1F ZINC000512297135 340356061 /nfs/dbraw/zinc/35/60/61/340356061.db2.gz ZVHZPHNLTNRPDT-RJRFIUFISA-N -1 0 322.679 3.651 20 5 DHBDRM Cc1ccc(Cl)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000221014496 340520800 /nfs/dbraw/zinc/52/08/00/340520800.db2.gz ICVBSPIHDDNJKS-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM Cc1cc([N+](=O)[O-])ccc1-c1noc(/C=C/c2cccc(O)c2)n1 ZINC000547700997 341227311 /nfs/dbraw/zinc/22/73/11/341227311.db2.gz PSOVOQAXLYJDRE-VMPITWQZSA-N -1 0 323.308 3.829 20 5 DHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1=CCCCCC1 ZINC000548164756 341250768 /nfs/dbraw/zinc/25/07/68/341250768.db2.gz DMAXZVWYRAIPQL-UHFFFAOYSA-N -1 0 310.737 3.783 20 5 DHBDRM CSc1ccccc1[C@@H](C)NCc1cc([O-])ccc1[N+](=O)[O-] ZINC000337311105 526186079 /nfs/dbraw/zinc/18/60/79/526186079.db2.gz UZWHAEVMZKMBBF-LLVKDONJSA-N -1 0 318.398 3.873 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[C@@H]3c3ccccc3)no2)cc1[O-] ZINC000338063157 527342488 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O=C([O-])Cc1cccc(Nc2ccc3cnccc3c2[N+](=O)[O-])c1 ZINC001595138106 952067189 /nfs/dbraw/zinc/06/71/89/952067189.db2.gz JZIGNOWBDASBRS-UHFFFAOYSA-N -1 0 323.308 3.514 20 5 DHBDRM O=C([O-])c1ccc(OCc2ccc(Cl)s2)c([N+](=O)[O-])c1 ZINC000036723482 957232880 /nfs/dbraw/zinc/23/28/80/957232880.db2.gz GHZYFUFGMHPWMV-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM C[C@H]1C[C@H]1c1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1 ZINC000518192464 1013154894 /nfs/dbraw/zinc/15/48/94/1013154894.db2.gz KKIPMLAMAXRYIR-JOYOIKCWSA-N -1 0 316.313 3.622 20 5 DHBDRM CSc1cccc(C)c1NC(=O)c1ccc([N+](=O)[O-])s1 ZINC000184607334 1014213025 /nfs/dbraw/zinc/21/30/25/1014213025.db2.gz QADHLFLIBADEOX-UHFFFAOYSA-N -1 0 308.384 3.939 20 5 DHBDRM CCC1(CC)CCCN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001595374540 980885182 /nfs/dbraw/zinc/88/51/82/980885182.db2.gz GSAPMHQEGZIPPR-UHFFFAOYSA-N -1 0 306.362 3.700 20 5 DHBDRM CCC(=O)c1ccc(Oc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC001594721047 987202144 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CC(C)[C@@H]1CCC[C@H](Nc2nc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001591089002 991627991 /nfs/dbraw/zinc/62/79/91/991627991.db2.gz OPNUMTQXXGAYGC-NEPJUHHUSA-N -1 0 321.377 3.705 20 5 DHBDRM CC1(C)CN(c2cc(C(=O)[O-])ccc2[N+](=O)[O-])c2ccccc21 ZINC001593947166 997002093 /nfs/dbraw/zinc/00/20/93/997002093.db2.gz PUPYWPSECQAEQB-UHFFFAOYSA-N -1 0 312.325 3.722 20 5 DHBDRM C[C@H]1CC(C)(C)CN1c1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-] ZINC001594216323 998831843 /nfs/dbraw/zinc/83/18/43/998831843.db2.gz DVGLIIATFAJQHQ-QMMMGPOBSA-N -1 0 312.753 3.571 20 5 DHBDRM C[C@H]1C[C@H](CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)C1 ZINC001594223237 998860610 /nfs/dbraw/zinc/86/06/10/998860610.db2.gz RGGRLXAKYDYYKY-IMRBUKKESA-N -1 0 320.389 3.706 20 5 DHBDRM Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)c1cccc(Cl)c1[O-] ZINC001270144732 1012781188 /nfs/dbraw/zinc/78/11/88/1012781188.db2.gz OOPNXMMFAPUUPQ-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CCC1(c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)CCCC1 ZINC000445798884 1017984095 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O=C([O-])c1cccc(COc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000020015269 182178477 /nfs/dbraw/zinc/17/84/77/182178477.db2.gz GPGRVSLEBVXDDQ-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM Cc1cnc([N-]c2ccn([C@@H](C)c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000610735282 435355663 /nfs/dbraw/zinc/35/56/63/435355663.db2.gz SWOAQBTVDWCIIK-ZDUSSCGKSA-N -1 0 323.356 3.848 20 5 DHBDRM C[C@H](c1ccccc1)n1ccc([N-]c2ncc([N+](=O)[O-])s2)n1 ZINC000619696687 435374680 /nfs/dbraw/zinc/37/46/80/435374680.db2.gz OTLLVIJRVRMXDI-SNVBAGLBSA-N -1 0 315.358 3.601 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1/C=C\c1ccc2cccc(O)c2n1 ZINC000448112571 332521659 /nfs/dbraw/zinc/52/16/59/332521659.db2.gz FJWDGNHJHMWZKY-ALCCZGGFSA-N -1 0 308.293 3.725 20 5 DHBDRM Cc1cccc(C(C)C)c1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183022990 333051845 /nfs/dbraw/zinc/05/18/45/333051845.db2.gz SHGKZIAPMJQZAN-UHFFFAOYSA-N -1 0 314.341 3.985 20 5 DHBDRM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cc(C)cc(C)c1 ZINC000183461852 333058516 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DHBDRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436740070 338285099 /nfs/dbraw/zinc/28/50/99/338285099.db2.gz PMEACNRSPDGVHB-NEPJUHHUSA-N -1 0 320.389 3.587 20 5 DHBDRM CCCCN(C(=O)c1cccc([N+](=O)[O-])c1[O-])C1CCCCC1 ZINC000436799953 338288026 /nfs/dbraw/zinc/28/80/26/338288026.db2.gz RNVBDQWTFXHHTA-UHFFFAOYSA-N -1 0 320.389 3.875 20 5 DHBDRM Cc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C1CC1 ZINC000436953041 338295484 /nfs/dbraw/zinc/29/54/84/338295484.db2.gz ZORNHMYYKBYFJZ-UHFFFAOYSA-N -1 0 312.325 3.739 20 5 DHBDRM CC(C)C[C@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436965611 338296094 /nfs/dbraw/zinc/29/60/94/338296094.db2.gz LCGMISFMAYKIRF-CYBMUJFWSA-N -1 0 320.389 3.731 20 5 DHBDRM Cc1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000436973905 338296460 /nfs/dbraw/zinc/29/64/60/338296460.db2.gz VGRFDKVSIZFHMC-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C([O-])c1ccc2nc(/C=C/c3cccc([N+](=O)[O-])c3)oc2c1 ZINC000439273040 338365666 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O=C([O-])CCCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000738581345 600275024 /nfs/dbraw/zinc/27/50/24/600275024.db2.gz JJQJLFAJBXYJHL-UHFFFAOYSA-N -1 0 301.298 3.505 20 5 DHBDRM C[C@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000736669820 600283143 /nfs/dbraw/zinc/28/31/43/600283143.db2.gz ADBQTDUKHMFZOB-DJYGCBNOSA-N -1 0 304.346 3.683 20 5 DHBDRM Cc1cc(NCCc2ccc(NC(=O)[O-])cc2)ccc1[N+](=O)[O-] ZINC000738460887 600363481 /nfs/dbraw/zinc/36/34/81/600363481.db2.gz RIWQMQQQSDGBFX-UHFFFAOYSA-N -1 0 315.329 3.648 20 5 DHBDRM Cc1cc(COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)s1 ZINC000738393948 600445146 /nfs/dbraw/zinc/44/51/46/600445146.db2.gz BDQKTSHEQMNSRD-UHFFFAOYSA-N -1 0 307.327 3.550 20 5 DHBDRM O=C([O-])c1ccc(NCc2ccc(Cl)c([N+](=O)[O-])c2)cc1F ZINC000833320765 602163449 /nfs/dbraw/zinc/16/34/49/602163449.db2.gz HKAFCJRXQXNNEH-UHFFFAOYSA-N -1 0 324.695 3.698 20 5 DHBDRM Cc1cc(N[C@@H](C)c2ccccc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896865 602318003 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C[C@H](c1cccs1)N(C)Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000593734258 974984391 /nfs/dbraw/zinc/98/43/91/974984391.db2.gz CBXLDTITFWUJQT-SNVBAGLBSA-N -1 0 320.370 3.548 20 5 DHBDRM C[C@H](CCNc1ncc(C(=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C ZINC001592530967 978403419 /nfs/dbraw/zinc/40/34/19/978403419.db2.gz OYEFDJLGPGAOTC-SNVBAGLBSA-N -1 0 309.366 3.562 20 5 DHBDRM CC(F)(F)CCCNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000844216697 979379903 /nfs/dbraw/zinc/37/99/03/979379903.db2.gz UDKUMRYHQLYHHZ-XQRVVYSFSA-N -1 0 314.288 3.540 20 5 DHBDRM CCC1(CNc2ccc(CC(=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC001595379490 980918246 /nfs/dbraw/zinc/91/82/46/980918246.db2.gz IBEZTJIREXJQND-UHFFFAOYSA-N -1 0 306.362 3.604 20 5 DHBDRM CCCCC[C@@H](CC)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001595668611 982111241 /nfs/dbraw/zinc/11/12/41/982111241.db2.gz CAKYRVFJNPLMOQ-LLVKDONJSA-N -1 0 323.345 3.805 20 5 DHBDRM CC(C)CC(C)(C)CNc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001591130494 991822462 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CCC[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000183904975 1022541093 /nfs/dbraw/zinc/54/10/93/1022541093.db2.gz CWLODPHPDHFBIL-CQSZACIVSA-N -1 0 314.341 3.823 20 5 DHBDRM Cc1ccc(NC(=O)c2c([O-])cccc2Cl)cc1[N+](=O)[O-] ZINC000769585141 1023182924 /nfs/dbraw/zinc/18/29/24/1023182924.db2.gz KUQORFXDYDPIFW-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C(/C=C/c1ccc(Cl)s1)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770862375 1023352609 /nfs/dbraw/zinc/35/26/09/1023352609.db2.gz NTDGDLUTJGMIOI-ZZXKWVIFSA-N -1 0 324.745 3.667 20 5 DHBDRM O=C([O-])c1ccnc(/C=C\c2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000789148868 1024005523 /nfs/dbraw/zinc/00/55/23/1024005523.db2.gz UAYVHKWTQHETPK-IWQZZHSRSA-N -1 0 304.689 3.512 20 5 DHBDRM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000886350167 1025599222 /nfs/dbraw/zinc/59/92/22/1025599222.db2.gz LHZHJAFECSKMSQ-UHFFFAOYSA-N -1 0 322.311 3.604 20 5 DHBDRM CCN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cc(C)cc(C)c1 ZINC000183461730 1026897413 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CCc1ccc(OC)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174505653 1034463587 /nfs/dbraw/zinc/46/35/87/1034463587.db2.gz GMRQPQPCHHGPPN-UHFFFAOYSA-N -1 0 316.313 3.608 20 5 DHBDRM Cc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc(F)c1F ZINC001174505758 1034464305 /nfs/dbraw/zinc/46/43/05/1034464305.db2.gz MAUCWPVJHWZVCL-UHFFFAOYSA-N -1 0 308.240 3.623 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc3ccc(O)cc3c2)cc([N+](=O)[O-])c1 ZINC001176677133 1035311649 /nfs/dbraw/zinc/31/16/49/1035311649.db2.gz NMXYTQSDKSPNNN-UHFFFAOYSA-N -1 0 324.292 3.895 20 5 DHBDRM O=C([O-])c1cc(Nc2cncc3ccccc32)cc([N+](=O)[O-])c1 ZINC001176672544 1035312233 /nfs/dbraw/zinc/31/22/33/1035312233.db2.gz KXUOWPKANJVGNH-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM Cc1ccnc(C(C)C)c1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176678201 1035312698 /nfs/dbraw/zinc/31/26/98/1035312698.db2.gz MAEJMLWGAIEECE-UHFFFAOYSA-N -1 0 315.329 3.863 20 5 DHBDRM Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(F)c([O-])c(Cl)c1 ZINC000194361141 1037461393 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CSc1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1 ZINC000255644566 331783762 /nfs/dbraw/zinc/78/37/62/331783762.db2.gz YFWSVRAKEBQWEE-DAXSKMNVSA-N -1 0 316.338 3.580 20 5 DHBDRM Cc1c(Cl)cccc1NC(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427924906 332564886 /nfs/dbraw/zinc/56/48/86/332564886.db2.gz LPPWDIJUAGRVMZ-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCSc1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000186369118 333373322 /nfs/dbraw/zinc/37/33/22/333373322.db2.gz ADVJBTOTGNZISX-UHFFFAOYSA-N -1 0 318.354 3.665 20 5 DHBDRM CCCC[C@H](Sc1ccc(C(C)=O)cc1[N+](=O)[O-])C(=O)[O-] ZINC000571582564 333817741 /nfs/dbraw/zinc/81/77/41/333817741.db2.gz UDYDPFYICCLNPL-ZDUSSCGKSA-N -1 0 311.359 3.533 20 5 DHBDRM CN(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416320003 334663089 /nfs/dbraw/zinc/66/30/89/334663089.db2.gz ZALHIUFLNJTITP-CHWSQXEVSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1ccsc1CCCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000166150178 335592756 /nfs/dbraw/zinc/59/27/56/335592756.db2.gz UGDABBPLIZLUSS-UHFFFAOYSA-N -1 0 320.370 3.632 20 5 DHBDRM CCCC1CCC(N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000436611715 338280036 /nfs/dbraw/zinc/28/00/36/338280036.db2.gz VUQFVETYCXCRIG-UHFFFAOYSA-N -1 0 320.389 3.731 20 5 DHBDRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436743385 338284999 /nfs/dbraw/zinc/28/49/99/338284999.db2.gz ZUVDVCAVPNHGMY-YPMHNXCESA-N -1 0 320.389 3.587 20 5 DHBDRM CCC1(CC)CCCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436825367 338288813 /nfs/dbraw/zinc/28/88/13/338288813.db2.gz FVYVEYJOQLYOTE-UHFFFAOYSA-N -1 0 320.389 3.733 20 5 DHBDRM Cc1ccc(O)c(-c2nc(-c3ccc(C)c([N+](=O)[O-])c3)no2)c1 ZINC000436899160 338292464 /nfs/dbraw/zinc/29/24/64/338292464.db2.gz BUTHFEHIFDJXFC-UHFFFAOYSA-N -1 0 311.297 3.634 20 5 DHBDRM Cn1c2cc(Cl)ccc2nc1-c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436952669 338295447 /nfs/dbraw/zinc/29/54/47/338295447.db2.gz XPTCQLVVMROHJU-UHFFFAOYSA-N -1 0 303.705 3.508 20 5 DHBDRM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436982785 338296632 /nfs/dbraw/zinc/29/66/32/338296632.db2.gz YRPWNTOKSXDWTE-UHFFFAOYSA-N -1 0 323.308 3.548 20 5 DHBDRM Cc1ccc(/C=C/c2nc3cc(C(=O)[O-])ccc3o2)cc1[N+](=O)[O-] ZINC000439269662 338365524 /nfs/dbraw/zinc/36/55/24/338365524.db2.gz HAGNEBPCOQXFOD-QPJJXVBHSA-N -1 0 324.292 3.913 20 5 DHBDRM O=C([O-])c1ccc2oc(/C=C/c3ccccc3[N+](=O)[O-])nc2c1 ZINC000439275147 338365722 /nfs/dbraw/zinc/36/57/22/338365722.db2.gz OLXOYTGRCXXESD-SOFGYWHQSA-N -1 0 310.265 3.605 20 5 DHBDRM CC(/C=C/c1ncc(C(=O)[O-])s1)=C\c1cccc([N+](=O)[O-])c1 ZINC000469095104 339280010 /nfs/dbraw/zinc/28/00/10/339280010.db2.gz VNHCXXJURYYSJB-WEYXYWBQSA-N -1 0 316.338 3.866 20 5 DHBDRM O=C([O-])Cc1cccc(Oc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000048806690 600011529 /nfs/dbraw/zinc/01/15/29/600011529.db2.gz QQEPSDXWYJMQNA-UHFFFAOYSA-N -1 0 307.689 3.668 20 5 DHBDRM CC(C)(C(=O)[O-])c1ccc(Nc2ccccc2[N+](=O)[O-])cc1 ZINC000826127372 600817711 /nfs/dbraw/zinc/81/77/11/600817711.db2.gz RMAVPOGWLNZIJB-UHFFFAOYSA-N -1 0 300.314 3.701 20 5 DHBDRM CCSCC[C@@H](C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000830163722 600828102 /nfs/dbraw/zinc/82/81/02/600828102.db2.gz DBZWHGSQARXVQK-OKPNEXGHSA-N -1 0 324.402 3.636 20 5 DHBDRM C[C@@H](Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-])c1ccccn1 ZINC000736672453 600942191 /nfs/dbraw/zinc/94/21/91/600942191.db2.gz POKZPESNMRYWJG-MRVPVSSYSA-N -1 0 321.720 3.515 20 5 DHBDRM O=C([O-])c1cccc(COc2cc([N+](=O)[O-])ccc2Cl)c1 ZINC000070088966 601347369 /nfs/dbraw/zinc/34/73/69/601347369.db2.gz KOQLSXZBTHCOPN-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM Cc1sc(C(=O)[O-])cc1COc1cc(C)ccc1[N+](=O)[O-] ZINC000122677176 601672287 /nfs/dbraw/zinc/67/22/87/601672287.db2.gz HALZXDQRDMNADB-UHFFFAOYSA-N -1 0 307.327 3.550 20 5 DHBDRM Cc1c(CNc2cc(NC(=O)[O-])ccc2F)cccc1[N+](=O)[O-] ZINC000740052361 603102744 /nfs/dbraw/zinc/10/27/44/603102744.db2.gz MDSBMWGEROVUIL-UHFFFAOYSA-N -1 0 319.292 3.744 20 5 DHBDRM COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(NC(=O)[O-])cc2)c1 ZINC000833728671 604824469 /nfs/dbraw/zinc/82/44/69/604824469.db2.gz IJMXHHWIAZVQIN-UHFFFAOYSA-N -1 0 321.264 3.576 20 5 DHBDRM C[C@H](SCc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)[O-])o1 ZINC000833542899 605183811 /nfs/dbraw/zinc/18/38/11/605183811.db2.gz MIPOQODRBVPTES-VIFPVBQESA-N -1 0 307.327 3.880 20 5 DHBDRM Cc1ccc(CNc2ccc(C(=O)[O-])c(C)c2)cc1[N+](=O)[O-] ZINC001594325701 958170589 /nfs/dbraw/zinc/17/05/89/958170589.db2.gz ATXPXYUOWBJBHO-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM CC(C)(CCNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[O-] ZINC001588778365 961289651 /nfs/dbraw/zinc/28/96/51/961289651.db2.gz OZQKGHKWAWXIMI-UHFFFAOYSA-N -1 0 320.267 3.526 20 5 DHBDRM Cc1cc(NC2CCC(F)(F)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000573687744 974769761 /nfs/dbraw/zinc/76/97/61/974769761.db2.gz JNPXIMDPNXYJCE-UHFFFAOYSA-N -1 0 314.288 3.591 20 5 DHBDRM Cc1cc(NCCCCC(=O)[O-])c([N+](=O)[O-])cc1C(F)(F)F ZINC000591326694 974969811 /nfs/dbraw/zinc/96/98/11/974969811.db2.gz HNURQGLKWKINTA-UHFFFAOYSA-N -1 0 320.267 3.589 20 5 DHBDRM C[C@@H](CCC(C)(C)C)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592478892 978255397 /nfs/dbraw/zinc/25/53/97/978255397.db2.gz WXJVCCMWTIVXAG-JTQLQIEISA-N -1 0 323.345 3.661 20 5 DHBDRM C[C@H](CSc1ncc(C(=O)[O-])cc1[N+](=O)[O-])c1ccccc1 ZINC001592831469 979557319 /nfs/dbraw/zinc/55/73/19/979557319.db2.gz BNDDIYFONDZLAX-SNVBAGLBSA-N -1 0 318.354 3.584 20 5 DHBDRM CC[C@H]1CCC[C@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001595435896 981066966 /nfs/dbraw/zinc/06/69/66/981066966.db2.gz MZRXYDAIQVYLQT-RYUDHWBXSA-N -1 0 306.362 3.982 20 5 DHBDRM CCCC1CCC(Nc2nc(C)cc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC001595620662 981691540 /nfs/dbraw/zinc/69/15/40/981691540.db2.gz PAZXEFLOIPMBLV-UHFFFAOYSA-N -1 0 321.377 3.767 20 5 DHBDRM CCCC[C@H](C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC001595627528 981773069 /nfs/dbraw/zinc/77/30/69/981773069.db2.gz IVWBBNBPGUWWPR-AWEZNQCLSA-N -1 0 322.361 3.694 20 5 DHBDRM CCCC[C@H](CCC)Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001595633790 981876915 /nfs/dbraw/zinc/87/69/15/981876915.db2.gz WMCPLHMBWHBMTK-ZDUSSCGKSA-N -1 0 308.378 3.993 20 5 DHBDRM CCC(C)(C)CCNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001594800855 981890960 /nfs/dbraw/zinc/89/09/60/981890960.db2.gz MHDLKOVZRJMVDD-SOFGYWHQSA-N -1 0 306.362 3.931 20 5 DHBDRM CCCC[C@@H](Sc1ccc2cnccc2c1[N+](=O)[O-])C(=O)[O-] ZINC001595656804 982056212 /nfs/dbraw/zinc/05/62/12/982056212.db2.gz CCBAAFUCFZNHBF-CYBMUJFWSA-N -1 0 320.370 3.879 20 5 DHBDRM C[C@@H]1CCC[C@@H](Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000914786075 982659537 /nfs/dbraw/zinc/65/95/37/982659537.db2.gz KIPPEHOTXUFKQF-CFLAWFISSA-N -1 0 304.346 3.683 20 5 DHBDRM C[C@@H]1CCCC[C@H]1Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000920957559 982695038 /nfs/dbraw/zinc/69/50/38/982695038.db2.gz SCDMFHBJSWRVBS-SXLAOSRYSA-N -1 0 304.346 3.683 20 5 DHBDRM C/C=C\C[C@@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001594685463 987053739 /nfs/dbraw/zinc/05/37/39/987053739.db2.gz CGVSLUHFDAPOCI-DHCBQETCSA-N -1 0 318.373 3.784 20 5 DHBDRM C/C=C\C[C@H]1CCCN(c2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001594685477 987053904 /nfs/dbraw/zinc/05/39/04/987053904.db2.gz CGVSLUHFDAPOCI-SCOBNMCVSA-N -1 0 318.373 3.784 20 5 DHBDRM CCc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC001597555721 988281612 /nfs/dbraw/zinc/28/16/12/988281612.db2.gz FBIDGQOXYSBISP-UXBLZVDNSA-N -1 0 312.325 3.999 20 5 DHBDRM CN(Cc1ccccc1)c1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl ZINC001598529579 992762019 /nfs/dbraw/zinc/76/20/19/992762019.db2.gz IBBIBNDQSZLUOW-UHFFFAOYSA-N -1 0 320.732 3.583 20 5 DHBDRM C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1cccc([N+](=O)[O-])c1 ZINC001593374968 995075682 /nfs/dbraw/zinc/07/56/82/995075682.db2.gz XFELATPHLSNBKC-MRVPVSSYSA-N -1 0 321.720 3.515 20 5 DHBDRM CC1(C)CC(CNc2c(Cl)cc([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001593853888 996634121 /nfs/dbraw/zinc/63/41/21/996634121.db2.gz JQUYTAOHBZYLEE-UHFFFAOYSA-N -1 0 312.753 3.795 20 5 DHBDRM CC1(C)CCC[C@@H]1CCNc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC001593903761 996776837 /nfs/dbraw/zinc/77/68/37/996776837.db2.gz YWKDGPKEITWVEP-GFCCVEGCSA-N -1 0 306.362 3.921 20 5 DHBDRM C[C@@H]1CCC[C@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001594359889 999360992 /nfs/dbraw/zinc/36/09/92/999360992.db2.gz PONMFKPGBBVWHB-FXSSULRXSA-N -1 0 304.346 3.541 20 5 DHBDRM Cc1cc(Cl)cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c1 ZINC000221013951 1016911820 /nfs/dbraw/zinc/91/18/20/1016911820.db2.gz BAKJBLXFSDQWIX-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1ccccc1Cl ZINC000170967309 1020142176 /nfs/dbraw/zinc/14/21/76/1020142176.db2.gz QWIUUZMFCIGVMU-AATRIKPKSA-N -1 0 304.689 3.512 20 5 DHBDRM C[C@H](c1c(F)cccc1F)N(C)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338926819 1021372240 /nfs/dbraw/zinc/37/22/40/1021372240.db2.gz WRZLHBIZKROUPP-SNVBAGLBSA-N -1 0 322.311 3.772 20 5 DHBDRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(Cl)c1[O-] ZINC000194957704 1021825401 /nfs/dbraw/zinc/82/54/01/1021825401.db2.gz RRVGWBYMUQKPSZ-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM C[C@H]1C[C@H](Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c2ccccc21 ZINC001169380981 1022379085 /nfs/dbraw/zinc/37/90/85/1022379085.db2.gz RMSXEHYXIYMCQJ-BONVTDFDSA-N -1 0 312.325 3.953 20 5 DHBDRM O=C([N-]c1c(F)cc(Cl)cc1F)c1ccc([N+](=O)[O-])s1 ZINC000180364746 1022711605 /nfs/dbraw/zinc/71/16/05/1022711605.db2.gz LKPQUOCOZMFEPP-UHFFFAOYSA-N -1 0 318.688 3.840 20 5 DHBDRM O=C(/C=C\c1ccccc1Cl)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000770864551 1023352661 /nfs/dbraw/zinc/35/26/61/1023352661.db2.gz YNGAULZTCSJPAY-YVMONPNESA-N -1 0 318.716 3.606 20 5 DHBDRM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(Cl)cc1 ZINC000772109454 1023514601 /nfs/dbraw/zinc/51/46/01/1023514601.db2.gz FSTKSRWBUPISKH-UHFFFAOYSA-N -1 0 320.732 3.621 20 5 DHBDRM C/C(=C/c1cccc([N+](=O)[O-])c1)CNc1cccc(C(=O)[O-])c1 ZINC000789898137 1024187259 /nfs/dbraw/zinc/18/72/59/1024187259.db2.gz FVAMAFDTMWWCIL-WQLSENKSSA-N -1 0 312.325 3.808 20 5 DHBDRM CC[C@H](OC(=O)c1ccc([N+](=O)[O-])[n-]1)c1cc(C)ccc1OC ZINC000772806972 1024720141 /nfs/dbraw/zinc/72/01/41/1024720141.db2.gz NVIFSLWJDSZCGJ-ZDUSSCGKSA-N -1 0 318.329 3.548 20 5 DHBDRM CCC[C@H](CC)Oc1[n-]c(C(F)(F)F)cc(=O)c1[N+](=O)[O-] ZINC001228862418 1024768021 /nfs/dbraw/zinc/76/80/21/1024768021.db2.gz NJVZHSHLRDGUMX-ZETCQYMHSA-N -1 0 308.256 3.672 20 5 DHBDRM C[C@@H](OC(=O)c1ccc([O-])c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000729238001 1026399031 /nfs/dbraw/zinc/39/90/31/1026399031.db2.gz QDZCPIUZFDZEQO-SECBINFHSA-N -1 0 321.716 3.872 20 5 DHBDRM CCCC[C@H](Sc1ccc([N+](=O)[O-])c(C(C)=O)c1)C(=O)[O-] ZINC000566985237 1028814622 /nfs/dbraw/zinc/81/46/22/1028814622.db2.gz BKBHJHNQXMZALZ-ZDUSSCGKSA-N -1 0 311.359 3.533 20 5 DHBDRM O=C([O-])c1ccc(Nc2csc3cnccc23)cc1[N+](=O)[O-] ZINC001174503631 1034461625 /nfs/dbraw/zinc/46/16/25/1034461625.db2.gz VACKOPDTOJMVAY-UHFFFAOYSA-N -1 0 315.310 3.646 20 5 DHBDRM Cc1nc2ccccc2cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174502860 1034462079 /nfs/dbraw/zinc/46/20/79/1034462079.db2.gz LBNMPPLHLODKLI-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM CCOc1ccc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c(F)c1 ZINC001174507307 1034463740 /nfs/dbraw/zinc/46/37/40/1034463740.db2.gz IBSMPUZUKWCWRJ-UHFFFAOYSA-N -1 0 320.276 3.574 20 5 DHBDRM C[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000483433941 1035270122 /nfs/dbraw/zinc/27/01/22/1035270122.db2.gz MZUPXRLNBITBPT-SECBINFHSA-N -1 0 320.732 3.696 20 5 DHBDRM O=C([O-])c1cc(Nc2cnc3ccccc3c2)cc([N+](=O)[O-])c1 ZINC001176671727 1035310864 /nfs/dbraw/zinc/31/08/64/1035310864.db2.gz CJEVTQNRVMJKQZ-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc3cnccc3c2)cc([N+](=O)[O-])c1 ZINC001176677354 1035311528 /nfs/dbraw/zinc/31/15/28/1035311528.db2.gz UKDWTMIZEAPFSZ-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM CCOc1ccc(C)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176676132 1035312099 /nfs/dbraw/zinc/31/20/99/1035312099.db2.gz AJGCRNJTJDGJAF-UHFFFAOYSA-N -1 0 316.313 3.744 20 5 DHBDRM Cc1ccc2c(cccc2Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)n1 ZINC001176679556 1035312666 /nfs/dbraw/zinc/31/26/66/1035312666.db2.gz IXHPHHXABHBXHF-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM CCCOc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176677544 1035312675 /nfs/dbraw/zinc/31/26/75/1035312675.db2.gz YDQZIZNJWINTRI-UHFFFAOYSA-N -1 0 316.313 3.825 20 5 DHBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775639340 1036142193 /nfs/dbraw/zinc/14/21/93/1036142193.db2.gz UPZVUMOZDHXUJX-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM CCCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])[nH]2)c(C)c1 ZINC000492147344 1036764516 /nfs/dbraw/zinc/76/45/16/1036764516.db2.gz AQFXANOPFYXOHD-UHFFFAOYSA-N -1 0 317.345 3.663 20 5 DHBDRM CC(C)Cc1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000776204706 1037827640 /nfs/dbraw/zinc/82/76/40/1037827640.db2.gz QSKOLHZTWLLZAY-UHFFFAOYSA-N -1 0 314.341 3.751 20 5 DHBDRM CCCCCOc1ccc(OC(=O)c2ccc([N+](=O)[O-])[n-]2)cc1 ZINC000916854994 1037998999 /nfs/dbraw/zinc/99/89/99/1037998999.db2.gz LNZVTIMBYOUVBW-UHFFFAOYSA-N -1 0 318.329 3.711 20 5 DHBDRM COc1cc(-c2nc3cc(C)ccc3s2)c([N+](=O)[O-])cc1O ZINC000603836111 1039175759 /nfs/dbraw/zinc/17/57/59/1039175759.db2.gz OKUATWAIFPQSCD-UHFFFAOYSA-N -1 0 316.338 3.894 20 5 DHBDRM C[C@H](c1ccccc1)n1ccc([N-]c2ncccc2[N+](=O)[O-])n1 ZINC000610735286 430565843 /nfs/dbraw/zinc/56/58/43/430565843.db2.gz UMTRIZKZGBNNPW-GFCCVEGCSA-N -1 0 309.329 3.539 20 5 DHBDRM Cc1ccc(C)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000539751296 332212555 /nfs/dbraw/zinc/21/25/55/332212555.db2.gz SWPFQXLYDZEKIV-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM CCCC[C@@H](C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000518775598 333125782 /nfs/dbraw/zinc/12/57/82/333125782.db2.gz SFJOLVUBBLALFG-SECBINFHSA-N -1 0 314.769 3.605 20 5 DHBDRM Cc1cccc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3[O-])oc21 ZINC000356299413 336545023 /nfs/dbraw/zinc/54/50/23/336545023.db2.gz VDUAWVHELVNMKJ-UHFFFAOYSA-N -1 0 312.281 3.607 20 5 DHBDRM CCSCC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000582910060 337216603 /nfs/dbraw/zinc/21/66/03/337216603.db2.gz GQWVQLIMLWCWRN-SNVBAGLBSA-N -1 0 312.391 3.545 20 5 DHBDRM Cc1cc(NC[C@H](C)CC(F)(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000583146190 337245874 /nfs/dbraw/zinc/24/58/74/337245874.db2.gz PDECIZOGWGQKKY-SSDOTTSWSA-N -1 0 320.267 3.602 20 5 DHBDRM C[C@H](N=c1nc(C2CCCC2)[n-]s1)c1ccc([N+](=O)[O-])cc1 ZINC000420624369 337509090 /nfs/dbraw/zinc/50/90/90/337509090.db2.gz GUTNREQYKJUOKO-JTQLQIEISA-N -1 0 318.402 3.699 20 5 DHBDRM CC[C@@H](Sc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F)C(=O)[O-] ZINC000514865465 337972887 /nfs/dbraw/zinc/97/28/87/337972887.db2.gz WKGFCAVKLCBJBF-SECBINFHSA-N -1 0 323.292 3.877 20 5 DHBDRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436743383 338284994 /nfs/dbraw/zinc/28/49/94/338284994.db2.gz ZUVDVCAVPNHGMY-WCQYABFASA-N -1 0 320.389 3.587 20 5 DHBDRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436750131 338285366 /nfs/dbraw/zinc/28/53/66/338285366.db2.gz VQQJEYPALXUVAQ-VXGBXAGGSA-N -1 0 320.389 3.587 20 5 DHBDRM CCCN(CC1CCCCC1)C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436948654 338295308 /nfs/dbraw/zinc/29/53/08/338295308.db2.gz HWLFCDMHABGYAR-UHFFFAOYSA-N -1 0 320.389 3.733 20 5 DHBDRM CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000436953465 338295556 /nfs/dbraw/zinc/29/55/56/338295556.db2.gz PRFAHZGNGYVLQK-UHFFFAOYSA-N -1 0 320.732 3.621 20 5 DHBDRM CSc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c1C ZINC000436955634 338295660 /nfs/dbraw/zinc/29/56/60/338295660.db2.gz HLCDBQSRPHZMRJ-UHFFFAOYSA-N -1 0 318.354 3.583 20 5 DHBDRM CC(C)CCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)C1CCCC1 ZINC000436957043 338295882 /nfs/dbraw/zinc/29/58/82/338295882.db2.gz REIPJGSMZKSHDA-UHFFFAOYSA-N -1 0 320.389 3.731 20 5 DHBDRM CC(C)(C)[C@H]1CCCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)CC1 ZINC000436971774 338296277 /nfs/dbraw/zinc/29/62/77/338296277.db2.gz PYSINLLTATYWSV-ZDUSSCGKSA-N -1 0 320.389 3.589 20 5 DHBDRM CSc1ccc2[nH]c(-c3ccc([O-])c([N+](=O)[O-])c3)nc2c1 ZINC000436976118 338296474 /nfs/dbraw/zinc/29/64/74/338296474.db2.gz ARQYOAQFSBVZBB-UHFFFAOYSA-N -1 0 301.327 3.566 20 5 DHBDRM Cc1ccc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)cc1[N+](=O)[O-] ZINC000439278845 338365850 /nfs/dbraw/zinc/36/58/50/338365850.db2.gz QKPUKAQXRCUWNQ-QPJJXVBHSA-N -1 0 324.292 3.913 20 5 DHBDRM Cc1ccc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)cc1[N+](=O)[O-] ZINC000439278843 338365922 /nfs/dbraw/zinc/36/59/22/338365922.db2.gz QKPUKAQXRCUWNQ-DAXSKMNVSA-N -1 0 324.292 3.913 20 5 DHBDRM O=C([O-])c1cc(N2CCC[C@H]2c2cccs2)ccc1[N+](=O)[O-] ZINC000566576861 341562200 /nfs/dbraw/zinc/56/22/00/341562200.db2.gz FLMFCGIUUNVOEK-ZDUSSCGKSA-N -1 0 318.354 3.696 20 5 DHBDRM CC[C@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000166116389 341715956 /nfs/dbraw/zinc/71/59/56/341715956.db2.gz GHWIYYHLLYPLCJ-ZDUSSCGKSA-N -1 0 318.304 3.572 20 5 DHBDRM CC(C)Cn1cc([N-]c2ncc([N+](=O)[O-])s2)c(C(F)F)n1 ZINC000337015542 519516008 /nfs/dbraw/zinc/51/60/08/519516008.db2.gz LBKOQHZCMOKUCJ-UHFFFAOYSA-N -1 0 317.321 3.585 20 5 DHBDRM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)CC(C)(C)C ZINC000736549185 600188864 /nfs/dbraw/zinc/18/88/64/600188864.db2.gz TULZGOPDUSCVGZ-JTQLQIEISA-N -1 0 322.361 3.694 20 5 DHBDRM C[C@H](CC(=O)[O-])Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000090098756 600624975 /nfs/dbraw/zinc/62/49/75/600624975.db2.gz JPNHTSVNDWPSCJ-ZCFIWIBFSA-N -1 0 309.265 3.569 20 5 DHBDRM CCSCC[C@@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000830163720 600828112 /nfs/dbraw/zinc/82/81/12/600828112.db2.gz DBZWHGSQARXVQK-JPVGGKMYSA-N -1 0 324.402 3.636 20 5 DHBDRM Cc1c(COc2ccc(NC(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000738202242 603156431 /nfs/dbraw/zinc/15/64/31/603156431.db2.gz MYKUMJCLKQHYAW-UHFFFAOYSA-N -1 0 302.286 3.572 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2C[C@@H]3CCCC[C@@H]3C2)cc1Cl ZINC000833306946 604271435 /nfs/dbraw/zinc/27/14/35/604271435.db2.gz HGGMWFNKBNYREX-AOOOYVTPSA-N -1 0 324.764 3.573 20 5 DHBDRM C[C@@H](NC(=O)[O-])c1ccc(CNc2ccsc2[N+](=O)[O-])cc1 ZINC000825401945 604345885 /nfs/dbraw/zinc/34/58/85/604345885.db2.gz GMUUEIYIGJDTHD-SECBINFHSA-N -1 0 321.358 3.597 20 5 DHBDRM O=C([O-])/C=C\c1ccc(Oc2ccc(Cl)nc2)c([N+](=O)[O-])c1 ZINC000833198329 604636623 /nfs/dbraw/zinc/63/66/23/604636623.db2.gz YQWDUVYCGBWNJZ-KXFIGUGUSA-N -1 0 320.688 3.533 20 5 DHBDRM O=C([O-])c1cc(OCc2cc3ccccc3o2)ccc1[N+](=O)[O-] ZINC000833301270 604650084 /nfs/dbraw/zinc/65/00/84/604650084.db2.gz UCUUUXVPTGIWLA-UHFFFAOYSA-N -1 0 313.265 3.618 20 5 DHBDRM O=C([O-])c1ccc(OCc2cc3ccccc3o2)c([N+](=O)[O-])c1 ZINC000833322911 604711610 /nfs/dbraw/zinc/71/16/10/604711610.db2.gz WYFCTIUNRFLLBF-UHFFFAOYSA-N -1 0 313.265 3.618 20 5 DHBDRM O=C([O-])c1ccc([N+](=O)[O-])c(OCc2cc3ccccc3o2)c1 ZINC000833324192 604713045 /nfs/dbraw/zinc/71/30/45/604713045.db2.gz MCIOKPKRAUXYSJ-UHFFFAOYSA-N -1 0 313.265 3.618 20 5 DHBDRM Cc1cccc(Oc2nc(Cl)c(C(=O)[O-])s2)c1[N+](=O)[O-] ZINC000149699722 604832767 /nfs/dbraw/zinc/83/27/67/604832767.db2.gz SKVQWOVBHLSNEM-UHFFFAOYSA-N -1 0 314.706 3.504 20 5 DHBDRM Cc1cc(N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC001574343405 960952494 /nfs/dbraw/zinc/95/24/94/960952494.db2.gz UMBXWCRERSPWFL-GJZGRUSLSA-N -1 0 312.325 3.628 20 5 DHBDRM Cc1cc(N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC001574343407 960952516 /nfs/dbraw/zinc/95/25/16/960952516.db2.gz UMBXWCRERSPWFL-LSDHHAIUSA-N -1 0 312.325 3.628 20 5 DHBDRM C[C@H](CN(C)c1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCCC1 ZINC001592588477 978513253 /nfs/dbraw/zinc/51/32/53/978513253.db2.gz KDEADWCGRGERCK-GFCCVEGCSA-N -1 0 320.389 3.946 20 5 DHBDRM C[C@H](CNc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)CC(F)F ZINC001592729284 979241812 /nfs/dbraw/zinc/24/18/12/979241812.db2.gz LVIGZGAWQSCFEN-LURJTMIESA-N -1 0 322.695 3.650 20 5 DHBDRM Cc1c(Nc2nc(C)ccc2[N+](=O)[O-])cnn1CCC(C)C ZINC000441949368 1014613368 /nfs/dbraw/zinc/61/33/68/1014613368.db2.gz RLYZGJPKACDWHG-UHFFFAOYSA-N -1 0 303.366 3.593 20 5 DHBDRM CC[C@@H]1CCC[C@@H]1CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001595452729 981115519 /nfs/dbraw/zinc/11/55/19/981115519.db2.gz JLCKWFPLGDEZLJ-BIYBCCJYSA-N -1 0 318.373 3.931 20 5 DHBDRM CC[C@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001595459500 981138472 /nfs/dbraw/zinc/13/84/72/981138472.db2.gz XQIFPSBWZXLPBQ-VIFPVBQESA-N -1 0 312.753 3.573 20 5 DHBDRM CCCCCC(C)(C)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001595663012 982081820 /nfs/dbraw/zinc/08/18/20/982081820.db2.gz PIMSFGLVMOPFRD-UHFFFAOYSA-N -1 0 322.361 3.838 20 5 DHBDRM CCS[C@@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001597255507 987254966 /nfs/dbraw/zinc/25/49/66/987254966.db2.gz CWUGDWVVDOOOFK-VXGBXAGGSA-N -1 0 324.402 3.769 20 5 DHBDRM C[C@H](Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1Cl)c1ccccn1 ZINC001593365695 995042462 /nfs/dbraw/zinc/04/24/62/995042462.db2.gz GPANPEODGKOYOP-QMMMGPOBSA-N -1 0 321.720 3.515 20 5 DHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1F)c1ccc(C(=O)[O-])o1 ZINC001593667254 996056676 /nfs/dbraw/zinc/05/66/76/996056676.db2.gz MATRVXHZYMFRIL-SSDOTTSWSA-N -1 0 311.290 3.878 20 5 DHBDRM CCCC[C@H](Sc1nccc2ccc([N+](=O)[O-])cc21)C(=O)[O-] ZINC000582311959 1016576917 /nfs/dbraw/zinc/57/69/17/1016576917.db2.gz DBHFOUGPAHZUFY-ZDUSSCGKSA-N -1 0 320.370 3.879 20 5 DHBDRM CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc(C)c1C ZINC000475607026 1017560422 /nfs/dbraw/zinc/56/04/22/1017560422.db2.gz UWPJQVYZNDXPGY-UHFFFAOYSA-N -1 0 314.341 3.584 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc2ccccc2o1 ZINC000255597472 1019515312 /nfs/dbraw/zinc/51/53/12/1019515312.db2.gz PIKPWLZGSXVAMN-WAYWQWQTSA-N -1 0 310.265 3.605 20 5 DHBDRM O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(O)c(Cl)c1 ZINC000067738973 1019783918 /nfs/dbraw/zinc/78/39/18/1019783918.db2.gz VYDMSQOMUSQCLR-VMPITWQZSA-N -1 0 318.716 3.606 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@H]1c1ccc(Cl)cc1 ZINC000555378367 1020235628 /nfs/dbraw/zinc/23/56/28/1020235628.db2.gz QPRVRUIAMGZLRF-HNNXBMFYSA-N -1 0 318.760 3.901 20 5 DHBDRM Cc1ccc(/C=C\CC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000537769750 1032913160 /nfs/dbraw/zinc/91/31/60/1032913160.db2.gz OFIGHYFHXXYSQU-IHWYPQMZSA-N -1 0 312.325 3.651 20 5 DHBDRM C[C@H](CCCC(F)(F)F)Nc1ccc([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000581014347 1020868761 /nfs/dbraw/zinc/86/87/61/1020868761.db2.gz UKGTUJUFSQVPAN-MRVPVSSYSA-N -1 0 320.267 3.826 20 5 DHBDRM CC(C)N(Cc1ccccc1F)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338936926 1021881875 /nfs/dbraw/zinc/88/18/75/1021881875.db2.gz SDJXFFSTCUUOQO-UHFFFAOYSA-N -1 0 318.348 3.850 20 5 DHBDRM Cc1cc(C)c([C@H](C)OC(=O)c2ccc([N+](=O)[O-])[n-]2)c(C)c1 ZINC000920161355 1022064326 /nfs/dbraw/zinc/06/43/26/1022064326.db2.gz KLIYCHQTXKWFME-LBPRGKRZSA-N -1 0 302.330 3.766 20 5 DHBDRM CN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCC[C@H]1C(C)(C)C ZINC000416288129 1022235195 /nfs/dbraw/zinc/23/51/95/1022235195.db2.gz KPMHQVRGVSYWRE-KGLIPLIRSA-N -1 0 320.389 3.587 20 5 DHBDRM O=C(CCc1ccc(Cl)cc1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183894755 1022534630 /nfs/dbraw/zinc/53/46/30/1022534630.db2.gz CPPZBHMGCLYHRX-UHFFFAOYSA-N -1 0 320.732 3.525 20 5 DHBDRM Cc1cc(C)cc(CN(C)Cc2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000339128048 1024570237 /nfs/dbraw/zinc/57/02/37/1024570237.db2.gz OHCRSMMPROMWNY-UHFFFAOYSA-N -1 0 300.358 3.549 20 5 DHBDRM C[C@H](OC(=O)c1cc([S-])ccc1F)c1ccccc1[N+](=O)[O-] ZINC000798723279 1024741794 /nfs/dbraw/zinc/74/17/94/1024741794.db2.gz JLWFNLOOPJJTAO-VIFPVBQESA-N -1 0 321.329 3.941 20 5 DHBDRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805258595 1025861808 /nfs/dbraw/zinc/86/18/08/1025861808.db2.gz JEAZMDKBADPNIB-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CC(C)c1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000183486858 1026924432 /nfs/dbraw/zinc/92/44/32/1026924432.db2.gz QCKOUOBAIPBJTR-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM O=C(N[C@H]1CCCCC12CCCC2)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000324559068 1028857127 /nfs/dbraw/zinc/85/71/27/1028857127.db2.gz RTRFXYFXPBYZHR-HNNXBMFYSA-N -1 0 318.373 3.533 20 5 DHBDRM O=C(/C=C\c1ccsc1)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000777823901 1031609091 /nfs/dbraw/zinc/60/90/91/1031609091.db2.gz QPVVMGXSNZZRJX-UPHRSURJSA-N -1 0 324.745 3.667 20 5 DHBDRM CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(F)cc1 ZINC000128093511 1033309119 /nfs/dbraw/zinc/30/91/19/1033309119.db2.gz OFHYVUOBUZUYJD-ZDUSSCGKSA-N -1 0 318.304 3.572 20 5 DHBDRM O=C([O-])c1ccc(Nc2cc3ccccc3cc2O)cc1[N+](=O)[O-] ZINC001174505448 1034461024 /nfs/dbraw/zinc/46/10/24/1034461024.db2.gz YFKRTKOAFOHONM-UHFFFAOYSA-N -1 0 324.292 3.895 20 5 DHBDRM CC(=O)c1ccc(C)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174505189 1034462215 /nfs/dbraw/zinc/46/22/15/1034462215.db2.gz PJCARZLNCOAPKF-UHFFFAOYSA-N -1 0 314.297 3.548 20 5 DHBDRM O=C([O-])c1ccc(Nc2ccc3cccnc3c2)cc1[N+](=O)[O-] ZINC001174504681 1034462665 /nfs/dbraw/zinc/46/26/65/1034462665.db2.gz YFEHCMDNZKASAB-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM CCC[C@@H](C)c1cc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)on1 ZINC001176671659 1035310553 /nfs/dbraw/zinc/31/05/53/1035310553.db2.gz BDEYTNXHOVPJQE-SECBINFHSA-N -1 0 319.317 3.928 20 5 DHBDRM CCOc1ccc(F)cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176677182 1035311487 /nfs/dbraw/zinc/31/14/87/1035311487.db2.gz PZXMKYWGSZXQRV-UHFFFAOYSA-N -1 0 320.276 3.574 20 5 DHBDRM Cc1nc2ccccc2cc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176674209 1035312308 /nfs/dbraw/zinc/31/23/08/1035312308.db2.gz HBBDMVRWIAPRHW-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM CCSc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000539971779 1035945019 /nfs/dbraw/zinc/94/50/19/1035945019.db2.gz NLIXNBCTJBJPBW-UHFFFAOYSA-N -1 0 318.354 3.665 20 5 DHBDRM CC(C)[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000166074747 1038638697 /nfs/dbraw/zinc/63/86/97/1038638697.db2.gz GUZQEICFMOJLQV-MRXNPFEDSA-N -1 0 314.341 3.679 20 5 DHBDRM O=C([O-])CC[C@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])s1 ZINC000591327334 1038802989 /nfs/dbraw/zinc/80/29/89/1038802989.db2.gz AUJARAFJETXPFK-GFCCVEGCSA-N -1 0 320.370 3.544 20 5 DHBDRM CCCN(CC1CCCCC1)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000604202409 1039390745 /nfs/dbraw/zinc/39/07/45/1039390745.db2.gz XGTDZANYVAHINS-UHFFFAOYSA-N -1 0 320.389 3.733 20 5 DHBDRM CCC(CC)N(CC)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000574042890 1039391772 /nfs/dbraw/zinc/39/17/72/1039391772.db2.gz RQFNRYQFPXHINV-UHFFFAOYSA-N -1 0 314.769 3.605 20 5 DHBDRM CC[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1csc(C)c1 ZINC000592900865 1040025161 /nfs/dbraw/zinc/02/51/61/1040025161.db2.gz IYMXFGGBLXDHEW-AWEZNQCLSA-N -1 0 320.370 3.551 20 5 DHBDRM Cc1ncsc1CCSCc1cc([O-])ccc1[N+](=O)[O-] ZINC000593194827 1040487348 /nfs/dbraw/zinc/48/73/48/1040487348.db2.gz FKIILMVBFRYVID-UHFFFAOYSA-N -1 0 310.400 3.541 20 5 DHBDRM CC(C)[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000534068406 1040701970 /nfs/dbraw/zinc/70/19/70/1040701970.db2.gz IUMDCFRXCQSLTP-MRXNPFEDSA-N -1 0 314.341 3.679 20 5 DHBDRM CC(C)C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-] ZINC000004158449 181079815 /nfs/dbraw/zinc/07/98/15/181079815.db2.gz SBQFBHONROCLHX-JTQLQIEISA-N -1 0 320.267 3.525 20 5 DHBDRM CC(C)Cn1ncc([N-]c2ncccc2[N+](=O)[O-])c1C(F)F ZINC000340576236 132026329 /nfs/dbraw/zinc/02/63/29/132026329.db2.gz ZWXXIAJNJXFRSC-UHFFFAOYSA-N -1 0 311.292 3.524 20 5 DHBDRM Cc1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)cc1C(=O)[O-] ZINC000340674746 132140792 /nfs/dbraw/zinc/14/07/92/132140792.db2.gz XPXWNMJQVJTXFW-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM C[C@@H](c1ccccc1)n1ccc([N-]c2ncc([N+](=O)[O-])s2)n1 ZINC000619696686 435374763 /nfs/dbraw/zinc/37/47/63/435374763.db2.gz OTLLVIJRVRMXDI-JTQLQIEISA-N -1 0 315.358 3.601 20 5 DHBDRM CCCC[C@H](CCC)CNC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000556915086 331753269 /nfs/dbraw/zinc/75/32/69/331753269.db2.gz HQYJEGJUUSTPBR-LBPRGKRZSA-N -1 0 308.378 3.637 20 5 DHBDRM C[C@@H]1C[C@@H]1c1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1 ZINC000518192465 331996185 /nfs/dbraw/zinc/99/61/85/331996185.db2.gz KKIPMLAMAXRYIR-SKDRFNHKSA-N -1 0 316.313 3.622 20 5 DHBDRM Cc1cc(C)c(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1C ZINC000514312451 333111393 /nfs/dbraw/zinc/11/13/93/333111393.db2.gz MTIDXMVRZOCLPP-PLNGDYQASA-N -1 0 312.325 3.784 20 5 DHBDRM CC[C@H](CC(F)(F)F)Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000518777085 333151794 /nfs/dbraw/zinc/15/17/94/333151794.db2.gz QRWFFZROJDRDKH-MRVPVSSYSA-N -1 0 320.267 3.744 20 5 DHBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCC[C@H]1C(C)(C)C ZINC000416290044 334660430 /nfs/dbraw/zinc/66/04/30/334660430.db2.gz MRJMYMAHSUJKKE-CHWSQXEVSA-N -1 0 320.389 3.587 20 5 DHBDRM CC[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(F)cc1F ZINC000344463000 335250844 /nfs/dbraw/zinc/25/08/44/335250844.db2.gz POHWTDRBFJIMEQ-OAHLLOKOSA-N -1 0 322.311 3.820 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccc2occc2c1 ZINC000349108527 335635082 /nfs/dbraw/zinc/63/50/82/335635082.db2.gz LMDYMTWRYZROLZ-IWQZZHSRSA-N -1 0 310.265 3.605 20 5 DHBDRM O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(-c2ccccc2)[nH]1 ZINC000186011197 337252890 /nfs/dbraw/zinc/25/28/90/337252890.db2.gz ILNXYHVHWQXYGJ-UHFFFAOYSA-N -1 0 323.308 3.548 20 5 DHBDRM Cc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000059314003 337889908 /nfs/dbraw/zinc/88/99/08/337889908.db2.gz NAYLDZAXJANMIT-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCCC1CCC(N(C)C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436613040 338279954 /nfs/dbraw/zinc/27/99/54/338279954.db2.gz ZZFCZGJBEDRJBP-UHFFFAOYSA-N -1 0 320.389 3.731 20 5 DHBDRM CC(C)CCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C1CCCC1 ZINC000436965615 338296177 /nfs/dbraw/zinc/29/61/77/338296177.db2.gz LCICCDXTBYMRMR-UHFFFAOYSA-N -1 0 320.389 3.731 20 5 DHBDRM CC(C)(C)[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])[nH]2)c2ccccc21 ZINC000470280589 339315967 /nfs/dbraw/zinc/31/59/67/339315967.db2.gz PPQWZVTVTAZTMI-GFCCVEGCSA-N -1 0 313.357 3.713 20 5 DHBDRM Cc1cc(C(=O)Nc2cc(F)cc(Cl)c2[O-])cc([N+](=O)[O-])c1 ZINC000474437248 339414540 /nfs/dbraw/zinc/41/45/40/339414540.db2.gz HHGIRCQDMUQIOJ-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CCc1cccc(F)c1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000480047224 339556625 /nfs/dbraw/zinc/55/66/25/339556625.db2.gz IUJRQVZKYAVTTD-VOTSOKGWSA-N -1 0 316.288 3.560 20 5 DHBDRM Cc1cc([N+](=O)[O-])ccc1/C=C/c1nc2ccc(C(=O)[O-])cc2o1 ZINC000486077654 339720376 /nfs/dbraw/zinc/72/03/76/339720376.db2.gz ODMCDXGFJGEGHP-QPJJXVBHSA-N -1 0 324.292 3.913 20 5 DHBDRM Cc1ccc(NC(=O)c2cccc([O-])c2[N+](=O)[O-])cc1Cl ZINC000507848303 340234056 /nfs/dbraw/zinc/23/40/56/340234056.db2.gz UMTAWYGJFBEIMX-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCCC[C@@H](Sc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-] ZINC000577231830 341899246 /nfs/dbraw/zinc/89/92/46/341899246.db2.gz RIWLBMHCJTZNQJ-CYBMUJFWSA-N -1 0 320.370 3.879 20 5 DHBDRM CC(C)(C)[C@@H]1CCCN(C(=O)c2cccc([O-])c2[N+](=O)[O-])CC1 ZINC000339280164 518938652 /nfs/dbraw/zinc/93/86/52/518938652.db2.gz GJIJAQGTEUGROI-GFCCVEGCSA-N -1 0 320.389 3.589 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc([C@@H]3C[C@H]3c3ccccc3)no2)cc1[O-] ZINC000338063159 527342553 /nfs/dbraw/zinc/34/25/53/527342553.db2.gz AXDYFGNIYUKAEA-QWHCGFSZSA-N -1 0 323.308 3.622 20 5 DHBDRM C[C@@H](Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000736669826 600283120 /nfs/dbraw/zinc/28/31/20/600283120.db2.gz ADBQTDUKHMFZOB-MXMFLMJRSA-N -1 0 304.346 3.683 20 5 DHBDRM CN(Cc1ccc(Nc2ccc([N+](=O)[O-])cc2F)cc1)C(=O)[O-] ZINC000737486940 600313158 /nfs/dbraw/zinc/31/31/58/600313158.db2.gz YUAVCMWFYANRLS-UHFFFAOYSA-N -1 0 319.292 3.587 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2cccc(F)c2)cc1Cl ZINC000833307891 602252525 /nfs/dbraw/zinc/25/25/25/602252525.db2.gz SFFROHUFSMMHTK-UHFFFAOYSA-N -1 0 324.695 3.698 20 5 DHBDRM Cc1ccsc1CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000832984456 602315219 /nfs/dbraw/zinc/31/52/19/602315219.db2.gz RVBMKIJADDGCMT-UHFFFAOYSA-N -1 0 306.343 3.583 20 5 DHBDRM O=C([O-])c1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1 ZINC000021514932 948795779 /nfs/dbraw/zinc/79/57/79/948795779.db2.gz JODABHWSSWWQCJ-UHFFFAOYSA-N -1 0 306.705 3.559 20 5 DHBDRM O=C([O-])c1ccc(CNc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000087846522 949097638 /nfs/dbraw/zinc/09/76/38/949097638.db2.gz MOMDPGBRJLHBRT-UHFFFAOYSA-N -1 0 306.705 3.559 20 5 DHBDRM C[C@H]1C[C@@H]1c1ccc(CNc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)o1 ZINC000518192463 1013151443 /nfs/dbraw/zinc/15/14/43/1013151443.db2.gz KKIPMLAMAXRYIR-CABZTGNLSA-N -1 0 316.313 3.622 20 5 DHBDRM Cc1cc(N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)ccc1[N+](=O)[O-] ZINC001574343406 960952116 /nfs/dbraw/zinc/95/21/16/960952116.db2.gz UMBXWCRERSPWFL-HUUCEWRRSA-N -1 0 312.325 3.628 20 5 DHBDRM CCCC[C@@H](Sc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000563430392 974530895 /nfs/dbraw/zinc/53/08/95/974530895.db2.gz ASWOVERDQPFMRO-CQSZACIVSA-N -1 0 320.370 3.879 20 5 DHBDRM CCCC[C@@H](Sc1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC000573104533 974760149 /nfs/dbraw/zinc/76/01/49/974760149.db2.gz RFOACZAPLUJSBH-CYBMUJFWSA-N -1 0 320.370 3.879 20 5 DHBDRM CCCC[C@H](Sc1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-] ZINC000573104535 974760170 /nfs/dbraw/zinc/76/01/70/974760170.db2.gz RFOACZAPLUJSBH-ZDUSSCGKSA-N -1 0 320.370 3.879 20 5 DHBDRM CC[C@H](CC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)C ZINC001595037274 979205140 /nfs/dbraw/zinc/20/51/40/979205140.db2.gz WWBHXORZBRGADW-LLVKDONJSA-N -1 0 322.361 3.694 20 5 DHBDRM O=C(Nc1ccc(C2CCC2)cc1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000427984500 1014561394 /nfs/dbraw/zinc/56/13/94/1014561394.db2.gz NGJGYIARPBPCQH-UHFFFAOYSA-N -1 0 312.325 3.820 20 5 DHBDRM CCCC[C@H](SCc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595656069 982049957 /nfs/dbraw/zinc/04/99/57/982049957.db2.gz SVFYLSKJXMMGIA-LBPRGKRZSA-N -1 0 319.329 3.750 20 5 DHBDRM C[C@H](C(=O)[O-])c1cccc(Nc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001589540292 987242129 /nfs/dbraw/zinc/24/21/29/987242129.db2.gz UDOXOZMHHJNPHT-QMMMGPOBSA-N -1 0 321.720 3.575 20 5 DHBDRM CCS[C@H]1CCC[C@@H](Nc2cc(C(=O)[O-])ccc2[N+](=O)[O-])C1 ZINC001597255498 987254942 /nfs/dbraw/zinc/25/49/42/987254942.db2.gz CWUGDWVVDOOOFK-NEPJUHHUSA-N -1 0 324.402 3.769 20 5 DHBDRM CCc1ccc(Nc2ncc(C(=O)[O-])cc2[N+](=O)[O-])cc1Cl ZINC001597557017 988293326 /nfs/dbraw/zinc/29/33/26/988293326.db2.gz RYLFRZGTGAESLC-UHFFFAOYSA-N -1 0 321.720 3.647 20 5 DHBDRM CC(C)(CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-])C1CCCC1 ZINC001590774205 990576212 /nfs/dbraw/zinc/57/62/12/990576212.db2.gz HVOBURZZEBSMOF-UHFFFAOYSA-N -1 0 306.362 3.921 20 5 DHBDRM COc1cccc([C@H](Sc2cccc([N+](=O)[O-])c2)C(=O)[O-])c1 ZINC001599660920 994655224 /nfs/dbraw/zinc/65/52/24/994655224.db2.gz ITLAFONNDZOYRJ-AWEZNQCLSA-N -1 0 319.338 3.521 20 5 DHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1F)c1ccc(C(=O)[O-])o1 ZINC001593667255 996056923 /nfs/dbraw/zinc/05/69/23/996056923.db2.gz MATRVXHZYMFRIL-ZETCQYMHSA-N -1 0 311.290 3.878 20 5 DHBDRM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1Cl ZINC000339076138 1016808025 /nfs/dbraw/zinc/80/80/25/1016808025.db2.gz VDADTQHHURVHSN-SNVBAGLBSA-N -1 0 306.749 3.805 20 5 DHBDRM CCC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccccc1 ZINC000216597091 1012024866 /nfs/dbraw/zinc/02/48/66/1012024866.db2.gz MFIYWSDGKGNVRG-AWEZNQCLSA-N -1 0 314.341 3.823 20 5 DHBDRM O=C(/C=C\c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1[O-] ZINC000254985632 1012641948 /nfs/dbraw/zinc/64/19/48/1012641948.db2.gz UTJHBXSLYUFQPP-TWGQIWQCSA-N -1 0 318.716 3.606 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/C=C/c1ccc(F)cc1 ZINC000158762144 1017936421 /nfs/dbraw/zinc/93/64/21/1017936421.db2.gz FJYKIVPVEDQIJW-ZPUQHVIOSA-N -1 0 314.272 3.554 20 5 DHBDRM Cc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000446429627 1018143341 /nfs/dbraw/zinc/14/33/41/1018143341.db2.gz MMYDHQCPDSMQIY-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CCc1ccc([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000611294734 1019435354 /nfs/dbraw/zinc/43/53/54/1019435354.db2.gz SDCZIAUFHYNHTB-LLVKDONJSA-N -1 0 314.341 3.605 20 5 DHBDRM O=C([O-])/C=C\c1ccc(NC2CCCCCC2)c([N+](=O)[O-])c1 ZINC000920957601 1022194635 /nfs/dbraw/zinc/19/46/35/1022194635.db2.gz XSCIYQPWVZIOOI-NTMALXAHSA-N -1 0 304.346 3.827 20 5 DHBDRM O=C([O-])/C=C/c1ccc(NCC2CCCCC2)c([N+](=O)[O-])c1 ZINC000920957451 1022196083 /nfs/dbraw/zinc/19/60/83/1022196083.db2.gz CMANDVJLNGGDOY-VQHVLOKHSA-N -1 0 304.346 3.685 20 5 DHBDRM Cc1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])ccc1F ZINC000538648246 1033126832 /nfs/dbraw/zinc/12/68/32/1033126832.db2.gz IHKALKCOUNDXAS-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1cccc2ccccc21 ZINC000613906868 1024306722 /nfs/dbraw/zinc/30/67/22/1024306722.db2.gz AMMDPZQGUWOYKQ-UHFFFAOYSA-N -1 0 322.320 3.730 20 5 DHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000805254867 1025565892 /nfs/dbraw/zinc/56/58/92/1025565892.db2.gz IHDMBURQEFXKTQ-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1[N+](=O)[O-] ZINC000805259927 1025569393 /nfs/dbraw/zinc/56/93/93/1025569393.db2.gz NODVLDKBNYLAGI-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CC(C)CCN(C(=O)c1cc([O-])cc([N+](=O)[O-])c1)C1CCCC1 ZINC000356803307 1026175964 /nfs/dbraw/zinc/17/59/64/1026175964.db2.gz LQAPPJJKHHDLHD-UHFFFAOYSA-N -1 0 320.389 3.731 20 5 DHBDRM C[C@H](Oc1ccc(Br)cc1[N+](=O)[O-])C1=CC=C[CH]1 ZINC001225662173 1027224099 /nfs/dbraw/zinc/22/40/99/1027224099.db2.gz RNFUQVXWCBIZLD-VIFPVBQESA-N -1 0 309.139 3.825 20 5 DHBDRM CON(Cc1ccc(Cl)cc1)Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000815118259 1028366414 /nfs/dbraw/zinc/36/64/14/1028366414.db2.gz HCWWHEGKAJEFRC-UHFFFAOYSA-N -1 0 322.748 3.517 20 5 DHBDRM CC(C)c1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1 ZINC000011869620 1028905790 /nfs/dbraw/zinc/90/57/90/1028905790.db2.gz SAHWHKWEKJPOJX-UHFFFAOYSA-N -1 0 300.314 3.676 20 5 DHBDRM CCc1c([N-]c2ncc([N+](=O)[O-])c(C)n2)cnn1C(CC)CC ZINC000450480308 1029503769 /nfs/dbraw/zinc/50/37/69/1029503769.db2.gz TZYQNSYSPZEXOD-UHFFFAOYSA-N -1 0 318.381 3.557 20 5 DHBDRM C[C@H](CCC1CCCCC1)NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC001136774386 1030387574 /nfs/dbraw/zinc/38/75/74/1030387574.db2.gz YPHRDXYEUUUFMP-GFCCVEGCSA-N -1 0 320.389 3.779 20 5 DHBDRM CCOc1ccc(C)cc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174504445 1034461437 /nfs/dbraw/zinc/46/14/37/1034461437.db2.gz FRORLGWAHBJZKC-UHFFFAOYSA-N -1 0 316.313 3.744 20 5 DHBDRM O=C([O-])c1ccc(Nc2ccc(C3CCC3)nc2)cc1[N+](=O)[O-] ZINC001174503536 1034461525 /nfs/dbraw/zinc/46/15/25/1034461525.db2.gz FENOFGNSMBRPMJ-UHFFFAOYSA-N -1 0 313.313 3.699 20 5 DHBDRM O=C([O-])c1ccc(Nc2cc3c(s2)CCCC3)cc1[N+](=O)[O-] ZINC001174503944 1034461867 /nfs/dbraw/zinc/46/18/67/1034461867.db2.gz PPDRUFYYFOLWQI-UHFFFAOYSA-N -1 0 318.354 3.977 20 5 DHBDRM Cc1cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc(C)c1C ZINC001174507266 1034464881 /nfs/dbraw/zinc/46/48/81/1034464881.db2.gz GEQPXPQKTYQUHS-UHFFFAOYSA-N -1 0 300.314 3.962 20 5 DHBDRM COc1cc(C)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1C ZINC001174505756 1034464912 /nfs/dbraw/zinc/46/49/12/1034464912.db2.gz LXQXYAKZRGYXSB-UHFFFAOYSA-N -1 0 316.313 3.662 20 5 DHBDRM Cc1c(Cl)ccc(N)c1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174508433 1034466700 /nfs/dbraw/zinc/46/67/00/1034466700.db2.gz XXXBYYWSTRJXBQ-UHFFFAOYSA-N -1 0 321.720 3.581 20 5 DHBDRM O=C([O-])c1cc(Nc2ccc(-n3cccc3)cc2)cc([N+](=O)[O-])c1 ZINC001176677089 1035311995 /nfs/dbraw/zinc/31/19/95/1035311995.db2.gz LOCBTMPEADLJFQ-UHFFFAOYSA-N -1 0 323.308 3.827 20 5 DHBDRM CCOc1cc(F)ccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176677370 1035312696 /nfs/dbraw/zinc/31/26/96/1035312696.db2.gz VAGFOWYTSDIMIE-UHFFFAOYSA-N -1 0 320.276 3.574 20 5 DHBDRM CSc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1 ZINC001176679902 1035312731 /nfs/dbraw/zinc/31/27/31/1035312731.db2.gz SDSLUTAIUSBVCY-UHFFFAOYSA-N -1 0 322.317 3.898 20 5 DHBDRM Cc1ccnc2c(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cccc12 ZINC001176681132 1035312822 /nfs/dbraw/zinc/31/28/22/1035312822.db2.gz WNDBVVPXHCJLKW-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM Cc1ccccc1[C@H](C)CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000535502916 1035665784 /nfs/dbraw/zinc/66/57/84/1035665784.db2.gz AJRGOAHLHPZXBB-GFCCVEGCSA-N -1 0 314.341 3.741 20 5 DHBDRM O=S(=O)([N-]c1ccc2nc3ccccc3cc2c1)c1ccoc1 ZINC001188614868 1037930754 /nfs/dbraw/zinc/93/07/54/1037930754.db2.gz DPNJHZUJGSUFDX-UHFFFAOYSA-N -1 0 324.361 3.782 20 5 DHBDRM CC[C@@H](C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1)c1ccc(F)cc1 ZINC000166116485 1038646142 /nfs/dbraw/zinc/64/61/42/1038646142.db2.gz GHWIYYHLLYPLCJ-CYBMUJFWSA-N -1 0 318.304 3.572 20 5 DHBDRM O=C([O-])CC[C@@H](Cc1ccccc1)Nc1ccc([N+](=O)[O-])s1 ZINC000591327335 1038801973 /nfs/dbraw/zinc/80/19/73/1038801973.db2.gz AUJARAFJETXPFK-LBPRGKRZSA-N -1 0 320.370 3.544 20 5 DHBDRM C[C@H](CCc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1)CC(=O)[O-] ZINC000594874420 1039911747 /nfs/dbraw/zinc/91/17/47/1039911747.db2.gz MMHLTICJFOVUFW-GFCCVEGCSA-N -1 0 314.341 3.700 20 5 DHBDRM O=c1[nH]ccc(N[C@@H](c2ccc(Cl)cc2)C2CC2)c1[N+](=O)[O-] ZINC000596058008 1040290792 /nfs/dbraw/zinc/29/07/92/1040290792.db2.gz FULYLKQSMIPYFP-CYBMUJFWSA-N -1 0 319.748 3.912 20 5 DHBDRM Cc1cc([N-]c2nc(C)cc(C)c2[N+](=O)[O-])nn1[C@@H](C)C1CC1 ZINC000541331673 435643348 /nfs/dbraw/zinc/64/33/48/435643348.db2.gz KODGHYMCZCHXOH-LBPRGKRZSA-N -1 0 315.377 3.826 20 5 DHBDRM O=C([O-])c1cc(N2CCC[C@@H]2c2ccccc2)ccc1[N+](=O)[O-] ZINC000557715911 331810607 /nfs/dbraw/zinc/81/06/07/331810607.db2.gz YGQLLRFJJGDENI-OAHLLOKOSA-N -1 0 312.325 3.635 20 5 DHBDRM C[C@@H]1CCC[C@H](c2noc(-c3ccc([N+](=O)[O-])c([O-])c3)n2)C1 ZINC000445211668 332146971 /nfs/dbraw/zinc/14/69/71/332146971.db2.gz KTYBKXWQYZYVHF-ZJUUUORDSA-N -1 0 303.318 3.644 20 5 DHBDRM CC(C)CC1(C)CCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436925017 334016553 /nfs/dbraw/zinc/01/65/53/334016553.db2.gz YUVQIUNCERRPHC-UHFFFAOYSA-N -1 0 320.389 3.589 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc3ccc(F)cc3n2C2CC2)cc1[O-] ZINC000534628257 334304733 /nfs/dbraw/zinc/30/47/33/334304733.db2.gz PCZJGCOZOLJCLW-UHFFFAOYSA-N -1 0 313.288 3.791 20 5 DHBDRM CN(C(=O)c1cccc([N+](=O)[O-])c1[O-])[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416290049 334660421 /nfs/dbraw/zinc/66/04/21/334660421.db2.gz MRJMYMAHSUJKKE-QWHCGFSZSA-N -1 0 320.389 3.587 20 5 DHBDRM CCC(CC)N(CC(C)C)C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000343739254 335189857 /nfs/dbraw/zinc/18/98/57/335189857.db2.gz MLZYBFMQQJXVGV-UHFFFAOYSA-N -1 0 308.378 3.587 20 5 DHBDRM Cc1ccc2oc(C(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)cc2c1 ZINC000346895580 335449281 /nfs/dbraw/zinc/44/92/81/335449281.db2.gz LDXZXJINOQPRKI-UHFFFAOYSA-N -1 0 312.281 3.607 20 5 DHBDRM Cc1sc(/C=C/c2ccc([N+](=O)[O-])cc2Cl)nc1C(=O)[O-] ZINC000352035650 336190961 /nfs/dbraw/zinc/19/09/61/336190961.db2.gz SNVRRVDZDJFWLW-HWKANZROSA-N -1 0 324.745 3.882 20 5 DHBDRM Cc1cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1C1CC1 ZINC000354899427 336487058 /nfs/dbraw/zinc/48/70/58/336487058.db2.gz KUWDOYCASFWJTK-UHFFFAOYSA-N -1 0 312.325 3.739 20 5 DHBDRM C[C@@H]1C[C@@H](C(C)(C)C)CCN1C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000360705085 336719504 /nfs/dbraw/zinc/71/95/04/336719504.db2.gz NIKDSKSFRBVCBI-YPMHNXCESA-N -1 0 320.389 3.587 20 5 DHBDRM O=C(Nc1ccc(C2CCC2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436824148 338288821 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CCSCC[C@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000830163723 600828188 /nfs/dbraw/zinc/82/81/88/600828188.db2.gz DBZWHGSQARXVQK-XOIDGJRKSA-N -1 0 324.402 3.636 20 5 DHBDRM O=C([O-])c1ccc(COc2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000109600584 601849357 /nfs/dbraw/zinc/84/93/57/601849357.db2.gz NTMUYMIFEDVFME-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM O=C([O-])c1c(F)cccc1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000833293683 602162518 /nfs/dbraw/zinc/16/25/18/602162518.db2.gz CTJAENDWXYZWIJ-UHFFFAOYSA-N -1 0 324.695 3.698 20 5 DHBDRM CCN(Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1)C(=O)[O-] ZINC000739443010 603070606 /nfs/dbraw/zinc/07/06/06/603070606.db2.gz BFVWCXZEPOROQI-UHFFFAOYSA-N -1 0 321.358 3.527 20 5 DHBDRM CCS[C@@H]1CCC[C@H]1Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000830158502 604372783 /nfs/dbraw/zinc/37/27/83/604372783.db2.gz WYDRZTPDFFSERC-CHWSQXEVSA-N -1 0 324.402 3.688 20 5 DHBDRM O=C([O-])[C@@H](Sc1ccc([N+](=O)[O-])cn1)c1cccc(Cl)c1 ZINC000833169647 604793124 /nfs/dbraw/zinc/79/31/24/604793124.db2.gz LPFVMZYHZNPARW-LBPRGKRZSA-N -1 0 324.745 3.561 20 5 DHBDRM C[C@@H]1C[C@@H]1c1ccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1 ZINC000833603166 605178157 /nfs/dbraw/zinc/17/81/57/605178157.db2.gz TWWOANMBKCWHJP-SKDRFNHKSA-N -1 0 316.313 3.622 20 5 DHBDRM C[C@H]1C[C@H]1c1ccc(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])o1 ZINC000833603162 605178304 /nfs/dbraw/zinc/17/83/04/605178304.db2.gz TWWOANMBKCWHJP-JOYOIKCWSA-N -1 0 316.313 3.622 20 5 DHBDRM C[C@@H](Nc1ccc(NC(=O)[O-])c(F)c1)c1ccccc1[N+](=O)[O-] ZINC000833525444 605261514 /nfs/dbraw/zinc/26/15/14/605261514.db2.gz PLVDKWWTVZNELU-SECBINFHSA-N -1 0 319.292 3.997 20 5 DHBDRM O=C([O-])c1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1 ZINC000013053716 956916224 /nfs/dbraw/zinc/91/62/24/956916224.db2.gz JYLKJXCKQYNOGN-UHFFFAOYSA-N -1 0 307.689 3.525 20 5 DHBDRM O=C([O-])c1cc(NC[C@@H]2CCCCC2(F)F)ccc1[N+](=O)[O-] ZINC000390105887 1013335199 /nfs/dbraw/zinc/33/51/99/1013335199.db2.gz BAOLUSWBYACINK-VIFPVBQESA-N -1 0 314.288 3.530 20 5 DHBDRM Cc1c2ccccc2oc1C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000120881349 1013546940 /nfs/dbraw/zinc/54/69/40/1013546940.db2.gz SFTCWHFUQNWSBF-UHFFFAOYSA-N -1 0 312.281 3.607 20 5 DHBDRM Cc1c(CNCc2cccc(O)c2Cl)cccc1[N+](=O)[O-] ZINC000328462962 1014107897 /nfs/dbraw/zinc/10/78/97/1014107897.db2.gz KMWICFIGVVWIDR-UHFFFAOYSA-N -1 0 306.749 3.552 20 5 DHBDRM C[C@H](CC(=O)[O-])Sc1ccc([N+](=O)[O-])c(-c2ccccc2)n1 ZINC001592421981 978035203 /nfs/dbraw/zinc/03/52/03/978035203.db2.gz HNPYUSMUNAWICP-SNVBAGLBSA-N -1 0 318.354 3.612 20 5 DHBDRM Cc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)cc1C(=O)[O-] ZINC000789902793 978798750 /nfs/dbraw/zinc/79/87/50/978798750.db2.gz QKEAKRALYGDITA-UHFFFAOYSA-N -1 0 320.732 3.867 20 5 DHBDRM C[C@@H](Sc1ncccc1C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000827921928 978966765 /nfs/dbraw/zinc/96/67/65/978966765.db2.gz KYZYBFZMGSDZOM-SECBINFHSA-N -1 0 304.327 3.541 20 5 DHBDRM Cc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c(C)c1 ZINC000537545086 1032101986 /nfs/dbraw/zinc/10/19/86/1032101986.db2.gz ACYVKFUVPGHAIS-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM CC[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2Cl)C1 ZINC001595459499 981138898 /nfs/dbraw/zinc/13/88/98/981138898.db2.gz XQIFPSBWZXLPBQ-SECBINFHSA-N -1 0 312.753 3.573 20 5 DHBDRM CCCC[C@@H](CC)CNc1nc(C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC001595632380 981854515 /nfs/dbraw/zinc/85/45/15/981854515.db2.gz GAXXMTJZRGAZTF-LLVKDONJSA-N -1 0 309.366 3.625 20 5 DHBDRM CCCC[C@H](Sc1ccc2cnccc2c1[N+](=O)[O-])C(=O)[O-] ZINC001595656805 982055639 /nfs/dbraw/zinc/05/56/39/982055639.db2.gz CCBAAFUCFZNHBF-ZDUSSCGKSA-N -1 0 320.370 3.879 20 5 DHBDRM CCCC[C@H](Sc1c(F)cc([N+](=O)[O-])cc1F)C(=O)[O-] ZINC001595657312 982061595 /nfs/dbraw/zinc/06/15/95/982061595.db2.gz LAPJBWISTPKHLQ-JTQLQIEISA-N -1 0 305.302 3.609 20 5 DHBDRM Cc1ccc(CNc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000917078499 982679612 /nfs/dbraw/zinc/67/96/12/982679612.db2.gz IZEKOYJGROORMF-QPJJXVBHSA-N -1 0 318.354 3.675 20 5 DHBDRM CC[C@@H](C)CCCCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001594958290 982697022 /nfs/dbraw/zinc/69/70/22/982697022.db2.gz ATGYOXKKTCNJHX-LLVKDONJSA-N -1 0 322.361 3.838 20 5 DHBDRM CCSCCSc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001597263229 987287875 /nfs/dbraw/zinc/28/78/75/987287875.db2.gz DWYLCYZZRVHPOG-GQCTYLIASA-N -1 0 313.400 3.538 20 5 DHBDRM CSC1CCC(CNc2cc(C(=O)[O-])ccc2[N+](=O)[O-])CC1 ZINC001599787039 987939999 /nfs/dbraw/zinc/93/99/99/987939999.db2.gz ZBTYYTYIDHDEPE-UHFFFAOYSA-N -1 0 324.402 3.627 20 5 DHBDRM C[C@@H]1CC(C)(C)CC[C@@H]1Nc1ccc(CC(=O)[O-])cc1[N+](=O)[O-] ZINC001594217064 998836250 /nfs/dbraw/zinc/83/62/50/998836250.db2.gz MMWCXNNOOHOLJJ-YPMHNXCESA-N -1 0 320.389 3.849 20 5 DHBDRM CC1CCC(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001594308593 999191345 /nfs/dbraw/zinc/19/13/45/999191345.db2.gz MXSHLFPBUOKANR-CLFYSBASSA-N -1 0 318.373 3.931 20 5 DHBDRM O=[N+]([O-])c1ccc(-c2nc3cc(F)ccc3n2C2CC2)cc1[O-] ZINC000523310667 1017625192 /nfs/dbraw/zinc/62/51/92/1017625192.db2.gz YQBKDOJBPXVFBI-UHFFFAOYSA-N -1 0 313.288 3.791 20 5 DHBDRM COc1c(O)ccc(CNc2ccc(C)cc2C)c1[N+](=O)[O-] ZINC000892309697 1017695906 /nfs/dbraw/zinc/69/59/06/1017695906.db2.gz JERIRNMVZOKNEV-UHFFFAOYSA-N -1 0 302.330 3.538 20 5 DHBDRM C[C@@H](c1cccs1)c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445230828 1017792751 /nfs/dbraw/zinc/79/27/51/1017792751.db2.gz MHISMYZCURAWJG-QMMMGPOBSA-N -1 0 317.326 3.564 20 5 DHBDRM Cc1ccc([C@@H](C)Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000920964402 1022196021 /nfs/dbraw/zinc/19/60/21/1022196021.db2.gz FSCAFYLBOHIRRK-AYLMVEPYSA-N -1 0 316.313 3.767 20 5 DHBDRM Cc1cc(C)c(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])c(C)c1 ZINC000609336973 1022267137 /nfs/dbraw/zinc/26/71/37/1022267137.db2.gz QASRXPCRJLTWSM-SNAWJCMRSA-N -1 0 312.325 3.784 20 5 DHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])[C@@H](F)c1ccccc1 ZINC000769616784 1023187579 /nfs/dbraw/zinc/18/75/79/1023187579.db2.gz QBNAKNOOKSUYQZ-LBPRGKRZSA-N -1 0 324.695 3.603 20 5 DHBDRM Cc1ccc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1F ZINC000538648304 1033126713 /nfs/dbraw/zinc/12/67/13/1033126713.db2.gz JFSJMEALVSMYGI-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CC(C)CON=c1ccc([N+](=O)[O-])c(OCc2ccccc2)[n-]1 ZINC000788077819 1023849085 /nfs/dbraw/zinc/84/90/85/1023849085.db2.gz YQAKMIPYGXFVPL-UHFFFAOYSA-N -1 0 317.345 3.568 20 5 DHBDRM CC(C)(Cc1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000049750489 1023871048 /nfs/dbraw/zinc/87/10/48/1023871048.db2.gz QGKLUWPRQZUXJR-UHFFFAOYSA-N -1 0 314.341 3.508 20 5 DHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCc2cc(Cl)ccc2C1 ZINC000339122000 1024571096 /nfs/dbraw/zinc/57/10/96/1024571096.db2.gz HCUJQOAEBCOGJH-UHFFFAOYSA-N -1 0 318.760 3.512 20 5 DHBDRM O=C(Nc1csc2ccccc12)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000353595397 1025146788 /nfs/dbraw/zinc/14/67/88/1025146788.db2.gz DXYXZFJPCQUQQI-UHFFFAOYSA-N -1 0 314.322 3.767 20 5 DHBDRM C[C@H]1CCN(Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H](c2ccco2)C1 ZINC000354041183 1025332552 /nfs/dbraw/zinc/33/25/52/1025332552.db2.gz REMJJKRCTONMNI-BLLLJJGKSA-N -1 0 316.357 3.867 20 5 DHBDRM CCCC[C@@H](Sc1ccc([N+](=O)[O-])c2ncccc12)C(=O)[O-] ZINC000570060299 1029309183 /nfs/dbraw/zinc/30/91/83/1029309183.db2.gz IGXJKUDWBOBQPA-CYBMUJFWSA-N -1 0 320.370 3.879 20 5 DHBDRM Cc1ccccc1[C@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000559107290 1031127845 /nfs/dbraw/zinc/12/78/45/1031127845.db2.gz IHGBIYQNFSGAFI-GOSISDBHSA-N -1 0 312.369 3.946 20 5 DHBDRM O=C([O-])c1ccc(Nc2cccnc2C2CCC2)cc1[N+](=O)[O-] ZINC001174503976 1034461902 /nfs/dbraw/zinc/46/19/02/1034461902.db2.gz RNNJNEJKHYNQGC-UHFFFAOYSA-N -1 0 313.313 3.699 20 5 DHBDRM CC(C)Oc1ccccc1Nc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001174505179 1034461993 /nfs/dbraw/zinc/46/19/93/1034461993.db2.gz SKRVNFKIUJQOPF-UHFFFAOYSA-N -1 0 316.313 3.824 20 5 DHBDRM CSc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC001176677450 1035312633 /nfs/dbraw/zinc/31/26/33/1035312633.db2.gz WOUYWESDYOIEIA-UHFFFAOYSA-N -1 0 304.327 3.759 20 5 DHBDRM CSc1ccccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176677381 1035313045 /nfs/dbraw/zinc/31/30/45/1035313045.db2.gz VRMSAHVSQBRTNU-UHFFFAOYSA-N -1 0 304.327 3.759 20 5 DHBDRM Cc1c(NC(=O)c2cc(F)c([O-])c(Cl)c2)cccc1[N+](=O)[O-] ZINC000194362644 1037461802 /nfs/dbraw/zinc/46/18/02/1037461802.db2.gz XKOQJSZSGIGUOD-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CC[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1OC ZINC000763409035 1037824703 /nfs/dbraw/zinc/82/47/03/1037824703.db2.gz SDYICQYSFWJLIE-HNNXBMFYSA-N -1 0 316.357 3.550 20 5 DHBDRM CC(C)[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F ZINC000594970353 1039948742 /nfs/dbraw/zinc/94/87/42/1039948742.db2.gz ZAZJWCNQNFRBPM-KRWDZBQOSA-N -1 0 318.348 3.926 20 5 DHBDRM CC(C)[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1F ZINC000594970354 1039948840 /nfs/dbraw/zinc/94/88/40/1039948840.db2.gz ZAZJWCNQNFRBPM-QGZVFWFLSA-N -1 0 318.348 3.926 20 5 DHBDRM CO[C@@H](CSCc1cc([O-])ccc1[N+](=O)[O-])c1ccccc1 ZINC000593195757 1040485942 /nfs/dbraw/zinc/48/59/42/1040485942.db2.gz JFHGUINJIOHQRJ-INIZCTEOSA-N -1 0 319.382 3.921 20 5 DHBDRM CC(C)CC[C@H]1CCC[C@H]1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000609045494 1040667713 /nfs/dbraw/zinc/66/77/13/1040667713.db2.gz QJCQPWPZZJHKPL-TZMCWYRMSA-N -1 0 320.389 3.635 20 5 DHBDRM Cc1cc(C)c(C(=O)[O-])cc1NCc1cccc([N+](=O)[O-])c1 ZINC000340700070 132164487 /nfs/dbraw/zinc/16/44/87/132164487.db2.gz ZDSHGBSXKQEIMX-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM O=C(Nc1cccc2ccccc21)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000183327340 333055357 /nfs/dbraw/zinc/05/53/57/333055357.db2.gz QSWFCHAILHNXDU-UHFFFAOYSA-N -1 0 308.293 3.706 20 5 DHBDRM Cc1cc(Cl)ccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000314343132 333103773 /nfs/dbraw/zinc/10/37/73/333103773.db2.gz HRULKDPYQTXWNH-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc2sccc2s1 ZINC000221010627 334368397 /nfs/dbraw/zinc/36/83/97/334368397.db2.gz JYGXEKTYGRHPCY-UHFFFAOYSA-N -1 0 320.351 3.829 20 5 DHBDRM O=C([O-])c1cccc(/C=C/c2ccc([N+](=O)[O-])cn2)c1Cl ZINC000345730189 335346294 /nfs/dbraw/zinc/34/62/94/335346294.db2.gz ZAWNUENNVMOFHS-SNAWJCMRSA-N -1 0 304.689 3.512 20 5 DHBDRM CC(F)(F)c1cccc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000355047101 336493087 /nfs/dbraw/zinc/49/30/87/336493087.db2.gz SQMYGSGOUPZYDF-UHFFFAOYSA-N -1 0 322.267 3.664 20 5 DHBDRM CC(C)CC[C@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000356772760 336560529 /nfs/dbraw/zinc/56/05/29/336560529.db2.gz NLWRQJLZUJXIFL-CQSZACIVSA-N -1 0 320.389 3.731 20 5 DHBDRM O=C([O-])c1cc(NC2CCC(C(F)F)CC2)ccc1[N+](=O)[O-] ZINC000572410207 337633473 /nfs/dbraw/zinc/63/34/73/337633473.db2.gz RZLHZGLFRWKSMP-UHFFFAOYSA-N -1 0 314.288 3.529 20 5 DHBDRM CC(C)c1ccoc1-c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000426240762 338023657 /nfs/dbraw/zinc/02/36/57/338023657.db2.gz BFVZMJLHNSOMDZ-UHFFFAOYSA-N -1 0 315.285 3.734 20 5 DHBDRM C[C@@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436743382 338285043 /nfs/dbraw/zinc/28/50/43/338285043.db2.gz ZUVDVCAVPNHGMY-DGCLKSJQSA-N -1 0 320.389 3.587 20 5 DHBDRM O=C([O-])c1ccc2nc(/C=C/c3ccc([N+](=O)[O-])cc3)oc2c1 ZINC000439273523 338365616 /nfs/dbraw/zinc/36/56/16/338365616.db2.gz IDQQVQLIBLLAST-FPYGCLRLSA-N -1 0 310.265 3.605 20 5 DHBDRM O=C([O-])c1cccc2oc(/C=C/c3ccc([N+](=O)[O-])cc3)nc21 ZINC000439274857 338365789 /nfs/dbraw/zinc/36/57/89/338365789.db2.gz MTNGIMCHCVBVEA-RMKNXTFCSA-N -1 0 310.265 3.605 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1sccc1Cl ZINC000447369829 338550753 /nfs/dbraw/zinc/55/07/53/338550753.db2.gz ZGNORXYBRHYFQV-UPHRSURJSA-N -1 0 310.718 3.573 20 5 DHBDRM CCc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1CC ZINC000489525081 339811802 /nfs/dbraw/zinc/81/18/02/339811802.db2.gz RORXZAGKIUVQEV-UHFFFAOYSA-N -1 0 314.341 3.678 20 5 DHBDRM CC(C)Cn1ncc(Nc2ncccc2[N+](=O)[O-])c1C(C)C ZINC000499642006 340042054 /nfs/dbraw/zinc/04/20/54/340042054.db2.gz QHYFLLPKGPKUEF-UHFFFAOYSA-N -1 0 303.366 3.709 20 5 DHBDRM CC(C)c1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c1 ZINC000543858025 341061762 /nfs/dbraw/zinc/06/17/62/341061762.db2.gz LGUNELWFCSVZRQ-UHFFFAOYSA-N -1 0 320.370 3.519 20 5 DHBDRM Cc1ccc(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])s1 ZINC000135342113 341237299 /nfs/dbraw/zinc/23/72/99/341237299.db2.gz PBLUQXRNYQRENM-UHFFFAOYSA-N -1 0 320.370 3.632 20 5 DHBDRM O=C(Nc1cccc2ccsc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000337424441 341812014 /nfs/dbraw/zinc/81/20/14/341812014.db2.gz WBZJKSDLTYJWPD-UHFFFAOYSA-N -1 0 314.322 3.767 20 5 DHBDRM O=C([O-])Nc1ccc(Nc2ccc3ncccc3c2[N+](=O)[O-])cc1 ZINC000738666531 600432685 /nfs/dbraw/zinc/43/26/85/600432685.db2.gz HVKZREIAVATBAH-UHFFFAOYSA-N -1 0 324.296 3.977 20 5 DHBDRM O=C([O-])c1cc(NC(=O)CCC2CCCCC2)cc([N+](=O)[O-])c1 ZINC000739236310 600542699 /nfs/dbraw/zinc/54/26/99/600542699.db2.gz RCLFJRCUQYLIKR-UHFFFAOYSA-N -1 0 320.345 3.592 20 5 DHBDRM O=C([O-])c1cc(Cl)cc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000833297120 601301792 /nfs/dbraw/zinc/30/17/92/601301792.db2.gz DQPNVQFLGKCYTK-UHFFFAOYSA-N -1 0 306.705 3.559 20 5 DHBDRM CCCCC[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)C(=O)[O-] ZINC000829346836 601383238 /nfs/dbraw/zinc/38/32/38/601383238.db2.gz DFZSPFFSONCQKB-CQSZACIVSA-N -1 0 317.345 3.588 20 5 DHBDRM Cc1sc(C(=O)[O-])cc1COc1ccc([N+](=O)[O-])c(C)c1 ZINC000122673210 601672389 /nfs/dbraw/zinc/67/23/89/601672389.db2.gz HFMCNBSNXPUSJK-UHFFFAOYSA-N -1 0 307.327 3.550 20 5 DHBDRM O=C([O-])c1ccc(CSCc2ccccc2[N+](=O)[O-])cc1F ZINC000833317415 601814754 /nfs/dbraw/zinc/81/47/54/601814754.db2.gz USJQSAPQBDLUMI-UHFFFAOYSA-N -1 0 321.329 3.866 20 5 DHBDRM O=C([O-])c1sccc1COc1cc([N+](=O)[O-])ccc1Cl ZINC000070088937 601894493 /nfs/dbraw/zinc/89/44/93/601894493.db2.gz JAMZJSCVNLHBQS-UHFFFAOYSA-N -1 0 313.718 3.587 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2ccsc2)cc1Cl ZINC000833306814 602252669 /nfs/dbraw/zinc/25/26/69/602252669.db2.gz IKAISMRJOHQXQK-UHFFFAOYSA-N -1 0 312.734 3.620 20 5 DHBDRM Cc1cccc(CNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c1 ZINC000832967142 602313666 /nfs/dbraw/zinc/31/36/66/602313666.db2.gz PAZDNAXWFKIBLD-UHFFFAOYSA-N -1 0 300.314 3.522 20 5 DHBDRM Cc1cc(N2Cc3ccccc3[C@@H]2C)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891920 602320960 /nfs/dbraw/zinc/32/09/60/602320960.db2.gz KOZUROVUCAKQMM-NSHDSACASA-N -1 0 312.325 3.683 20 5 DHBDRM O=C([O-])Nc1cccc(OCc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000833288845 604773581 /nfs/dbraw/zinc/77/35/81/604773581.db2.gz ICOCTCSMRZVEEI-UHFFFAOYSA-N -1 0 322.704 3.917 20 5 DHBDRM C[C@@H](SCc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)[O-])o1 ZINC000833542898 605183769 /nfs/dbraw/zinc/18/37/69/605183769.db2.gz MIPOQODRBVPTES-SECBINFHSA-N -1 0 307.327 3.880 20 5 DHBDRM COc1ccccc1CSc1cc(C(=O)[O-])ccc1[N+](=O)[O-] ZINC000833736742 605186458 /nfs/dbraw/zinc/18/64/58/605186458.db2.gz WOYCUHZYIGDFEA-UHFFFAOYSA-N -1 0 319.338 3.594 20 5 DHBDRM CC(C)(C(=O)[O-])c1ccc(Nc2sccc2[N+](=O)[O-])cc1 ZINC000833418128 605239680 /nfs/dbraw/zinc/23/96/80/605239680.db2.gz DWLTYNRIOFDRHT-UHFFFAOYSA-N -1 0 306.343 3.762 20 5 DHBDRM O=C([O-])/C=C\c1ccc(SCc2ccco2)c([N+](=O)[O-])c1 ZINC000033381302 957180610 /nfs/dbraw/zinc/18/06/10/957180610.db2.gz JPQIVIGREVBIFV-XQRVVYSFSA-N -1 0 305.311 3.578 20 5 DHBDRM O=C([O-])Cc1ccc(Oc2nc3ccccc3cc2[N+](=O)[O-])cc1 ZINC001574738425 957677343 /nfs/dbraw/zinc/67/73/43/957677343.db2.gz DFNSGTXYHKNNQM-UHFFFAOYSA-N -1 0 324.292 3.562 20 5 DHBDRM C[C@H](CCC(C)(C)C)C(=O)Oc1ccc(C(=O)[O-])c([N+](=O)[O-])c1 ZINC001592478893 978255610 /nfs/dbraw/zinc/25/56/10/978255610.db2.gz WXJVCCMWTIVXAG-SNVBAGLBSA-N -1 0 323.345 3.661 20 5 DHBDRM C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)[O-])CC(F)F ZINC001592722996 979228695 /nfs/dbraw/zinc/22/86/95/979228695.db2.gz SPEZPTUXJHXLTJ-ZCFIWIBFSA-N -1 0 322.695 3.650 20 5 DHBDRM CCC1(CC)CCC(Nc2nccc(C(=O)[O-])c2[N+](=O)[O-])CC1 ZINC001595374786 980887897 /nfs/dbraw/zinc/88/78/97/980887897.db2.gz VCLIEDULZWHRNF-UHFFFAOYSA-N -1 0 321.377 3.849 20 5 DHBDRM CC[C@H]1CCC[C@@H](Nc2cc(C)c([N+](=O)[O-])cc2C(=O)[O-])C1 ZINC001595435895 981066767 /nfs/dbraw/zinc/06/67/67/981066767.db2.gz MZRXYDAIQVYLQT-NWDGAFQWSA-N -1 0 306.362 3.982 20 5 DHBDRM CCCC[C@@H](Sc1nc2c(cc1[N+](=O)[O-])CCCC2)C(=O)[O-] ZINC001595657336 982061691 /nfs/dbraw/zinc/06/16/91/982061691.db2.gz LUGZDTIZMZNBKN-CYBMUJFWSA-N -1 0 324.402 3.604 20 5 DHBDRM CCCCC[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-] ZINC001595686829 982177062 /nfs/dbraw/zinc/17/70/62/982177062.db2.gz HYMWQIDOKBIPLS-LLVKDONJSA-N -1 0 300.742 3.694 20 5 DHBDRM C[C@@H](C(=O)[O-])c1cccc(Nc2ccc(F)cc2[N+](=O)[O-])c1 ZINC001589540139 987239789 /nfs/dbraw/zinc/23/97/89/987239789.db2.gz QQVOJJQJXNZASM-SECBINFHSA-N -1 0 304.277 3.666 20 5 DHBDRM CC(C)(C)C1CC(Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC001589726624 987911920 /nfs/dbraw/zinc/91/19/20/987911920.db2.gz NQEHJZYGZIUFDH-ALCCZGGFSA-N -1 0 318.373 3.929 20 5 DHBDRM C[C@@H](Nc1ncc(C(=O)[O-])cc1Cl)c1ccccc1[N+](=O)[O-] ZINC001599842165 988860509 /nfs/dbraw/zinc/86/05/09/988860509.db2.gz JEGSHGSLRDSMMX-MRVPVSSYSA-N -1 0 321.720 3.515 20 5 DHBDRM CC(C)CC1(CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])CC1 ZINC001591197805 992021888 /nfs/dbraw/zinc/02/18/88/992021888.db2.gz PMZXUROULWNYSK-XQRVVYSFSA-N -1 0 318.373 3.931 20 5 DHBDRM CC(C)CC[C@@H](C)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC001591218185 992077604 /nfs/dbraw/zinc/07/76/04/992077604.db2.gz SUZHLDKSARNSPI-ZVTBTPLYSA-N -1 0 306.362 3.929 20 5 DHBDRM C[C@@H](Sc1ncccc1C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593678617 996093397 /nfs/dbraw/zinc/09/33/97/996093397.db2.gz VGBPGHNWKTWVCM-SECBINFHSA-N -1 0 304.327 3.541 20 5 DHBDRM CC1(C)C(C)(C)C1(C)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC001593830986 996574572 /nfs/dbraw/zinc/57/45/72/996574572.db2.gz OTBZGZBRLUXUJA-VQHVLOKHSA-N -1 0 318.373 3.929 20 5 DHBDRM C[C@@H]1CC[C@H](Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])C[C@@H]1C ZINC001594326281 999254706 /nfs/dbraw/zinc/25/47/06/999254706.db2.gz IWZVSGYEVDLJHA-PSAVZBARSA-N -1 0 318.373 3.929 20 5 DHBDRM O=C(Cc1cccc2ccccc21)Nc1cc([N+](=O)[O-])ccc1[O-] ZINC000059354247 1017773572 /nfs/dbraw/zinc/77/35/72/1017773572.db2.gz ZJOAVARDMWZUGM-UHFFFAOYSA-N -1 0 322.320 3.635 20 5 DHBDRM Cc1c(Cl)cccc1NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000235726826 1019847037 /nfs/dbraw/zinc/84/70/37/1019847037.db2.gz LSWRJQKTDRSOLV-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(-c2ccoc2)c1 ZINC000092549104 1020331307 /nfs/dbraw/zinc/33/13/07/1020331307.db2.gz VNSFIWUIMOPEMT-UHFFFAOYSA-N -1 0 324.292 3.813 20 5 DHBDRM CCCn1c2cccc(F)c2nc1-c1ccc([N+](=O)[O-])c([O-])c1 ZINC000498548940 1021705114 /nfs/dbraw/zinc/70/51/14/1021705114.db2.gz PSYJFWITXNJPIB-UHFFFAOYSA-N -1 0 315.304 3.866 20 5 DHBDRM Cc1ccc([C@H](C)Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000920964405 1022195972 /nfs/dbraw/zinc/19/59/72/1022195972.db2.gz FSCAFYLBOHIRRK-OFSNVTPPSA-N -1 0 316.313 3.767 20 5 DHBDRM CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCC[C@@H]1C(C)(C)C ZINC000416283030 1022234368 /nfs/dbraw/zinc/23/43/68/1022234368.db2.gz DNYUAWFEPJOUQT-KBPBESRZSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1ccc(F)cc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000180784456 1022829653 /nfs/dbraw/zinc/82/96/53/1022829653.db2.gz RUXBSPINSVNAPH-UHFFFAOYSA-N -1 0 324.695 3.654 20 5 DHBDRM CC(C)c1ccc(C(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)s1 ZINC000166147132 1023004333 /nfs/dbraw/zinc/00/43/33/1023004333.db2.gz IQKHFSYNIWIQLB-UHFFFAOYSA-N -1 0 306.343 3.738 20 5 DHBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1c([O-])cccc1Cl ZINC000769603827 1023186214 /nfs/dbraw/zinc/18/62/14/1023186214.db2.gz YRPCZGIRKBDYOP-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM CC(C)[C@@]1(C)C[C@@H]1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001295615399 1024056885 /nfs/dbraw/zinc/05/68/85/1024056885.db2.gz YQQHZXMJFWGEGJ-YMTOWFKASA-N -1 0 312.753 3.575 20 5 DHBDRM CC[C@@H](C)n1ncc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C ZINC000790807926 1024371724 /nfs/dbraw/zinc/37/17/24/1024371724.db2.gz KDGFJWTWMYMBOU-SECBINFHSA-N -1 0 319.321 3.723 20 5 DHBDRM O=C([O-])c1ccc(/C=C\c2ccc([N+](=O)[O-])cn2)c(Cl)c1 ZINC000542186997 1025819581 /nfs/dbraw/zinc/81/95/81/1025819581.db2.gz FDKAUPAXKXEWRL-ARJAWSKDSA-N -1 0 304.689 3.512 20 5 DHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1(F)CCCCC1 ZINC000810881324 1026872536 /nfs/dbraw/zinc/87/25/36/1026872536.db2.gz NXMCABMESMZYSW-UHFFFAOYSA-N -1 0 316.716 3.565 20 5 DHBDRM CC(C)CC[C@H](C)NC(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC001136060704 1029278513 /nfs/dbraw/zinc/27/85/13/1029278513.db2.gz ORSXIFCNJJJCCH-VIFPVBQESA-N -1 0 314.769 3.508 20 5 DHBDRM CCCC1CCC(N(C)C(=O)c2ccc([N+](=O)[O-])c([O-])c2)CC1 ZINC000361454266 1031932334 /nfs/dbraw/zinc/93/23/34/1031932334.db2.gz OTXNITSULDOWDB-UHFFFAOYSA-N -1 0 320.389 3.731 20 5 DHBDRM O=C([O-])c1ccc(Nc2cc3ccccc3cn2)cc1[N+](=O)[O-] ZINC001174502913 1034462391 /nfs/dbraw/zinc/46/23/91/1034462391.db2.gz NECXWCAERGBZTB-UHFFFAOYSA-N -1 0 309.281 3.585 20 5 DHBDRM Cc1c(F)cc(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)cc1F ZINC001174507271 1034464319 /nfs/dbraw/zinc/46/43/19/1034464319.db2.gz GNYPUXZQTQFTRB-UHFFFAOYSA-N -1 0 308.240 3.623 20 5 DHBDRM CC(=O)c1ccc(C)c(Nc2ccc(C(=O)[O-])c([N+](=O)[O-])c2)c1 ZINC001174508500 1034466070 /nfs/dbraw/zinc/46/60/70/1034466070.db2.gz ZKKOOOBQAMUNAI-UHFFFAOYSA-N -1 0 314.297 3.548 20 5 DHBDRM Cc1ccc2cccc(Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2n1 ZINC001176677183 1035311830 /nfs/dbraw/zinc/31/18/30/1035311830.db2.gz QESYROHHKGSFSI-UHFFFAOYSA-N -1 0 323.308 3.893 20 5 DHBDRM CCOc1c(F)cccc1Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC001176679005 1035312620 /nfs/dbraw/zinc/31/26/20/1035312620.db2.gz FKUZWWMVFYJBHF-UHFFFAOYSA-N -1 0 320.276 3.574 20 5 DHBDRM Cc1ccc(Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(Cl)c1O ZINC001176680753 1035312642 /nfs/dbraw/zinc/31/26/42/1035312642.db2.gz WXQMCSNAOXUOEC-UHFFFAOYSA-N -1 0 322.704 3.704 20 5 DHBDRM C[C@H]1C[C@H](C(C)(C)C)CCN1C(=O)c1cccc([O-])c1[N+](=O)[O-] ZINC000491571219 1036605890 /nfs/dbraw/zinc/60/58/90/1036605890.db2.gz BFMKGZUFWARNJN-NWDGAFQWSA-N -1 0 320.389 3.587 20 5 DHBDRM CCSc1ccccc1C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000776205330 1037859022 /nfs/dbraw/zinc/85/90/22/1037859022.db2.gz XSODTRIECVKLHL-UHFFFAOYSA-N -1 0 318.354 3.665 20 5 DHBDRM CSCC1(CCNc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000594734952 1039902920 /nfs/dbraw/zinc/90/29/20/1039902920.db2.gz DVDKWJXPQSUGKJ-UHFFFAOYSA-N -1 0 324.402 3.547 20 5 DHBDRM Cc1oc2ccccc2c1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-] ZINC000340182216 131013691 /nfs/dbraw/zinc/01/36/91/131013691.db2.gz WUYRNPXEJQAZTN-SREVYHEPSA-N -1 0 324.292 3.913 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccc(Cl)c(F)c1 ZINC000519989839 331520006 /nfs/dbraw/zinc/52/00/06/331520006.db2.gz RKDHFNXAYCKBOX-RQOWECAXSA-N -1 0 322.679 3.651 20 5 DHBDRM Cc1ccc(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000427922089 332564118 /nfs/dbraw/zinc/56/41/18/332564118.db2.gz IFDBXGMZVMZSGI-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CCCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000183067418 333052096 /nfs/dbraw/zinc/05/20/96/333052096.db2.gz VYEQLRTYIPRVKW-UHFFFAOYSA-N -1 0 314.341 3.747 20 5 DHBDRM CCCC[C@H](C)N(C)C(=O)c1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000518775599 333125791 /nfs/dbraw/zinc/12/57/91/333125791.db2.gz SFJOLVUBBLALFG-VIFPVBQESA-N -1 0 314.769 3.605 20 5 DHBDRM CC(C)(CC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C1CC1 ZINC000497731874 333284414 /nfs/dbraw/zinc/28/44/14/333284414.db2.gz DXKLMOKDOVDZAJ-UHFFFAOYSA-N -1 0 312.753 3.719 20 5 DHBDRM C[C@H](c1cccs1)c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1 ZINC000445230827 333622284 /nfs/dbraw/zinc/62/22/84/333622284.db2.gz MHISMYZCURAWJG-MRVPVSSYSA-N -1 0 317.326 3.564 20 5 DHBDRM CC(C)(NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(Cl)cc1 ZINC000571420818 333788223 /nfs/dbraw/zinc/78/82/23/333788223.db2.gz AKEMZTHAMKBTLI-UHFFFAOYSA-N -1 0 320.776 3.979 20 5 DHBDRM Cc1cccc(C(C)C)c1NC(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000187665869 334268782 /nfs/dbraw/zinc/26/87/82/334268782.db2.gz INEGOOUURRIZDL-UHFFFAOYSA-N -1 0 314.341 3.985 20 5 DHBDRM Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc(C)c1Cl ZINC000443181129 338446386 /nfs/dbraw/zinc/44/63/86/338446386.db2.gz RYHAMJYFLDTKHR-UHFFFAOYSA-N -1 0 320.732 3.823 20 5 DHBDRM CN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C(C)(C)C ZINC000416293954 334661228 /nfs/dbraw/zinc/66/12/28/334661228.db2.gz RGVMUZPULVOXLB-QWHCGFSZSA-N -1 0 320.389 3.587 20 5 DHBDRM Cc1ccc(Cl)cc1N(C)C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000514626121 336386275 /nfs/dbraw/zinc/38/62/75/336386275.db2.gz RGVFDBDMVLJVTC-UHFFFAOYSA-N -1 0 320.732 3.539 20 5 DHBDRM O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1ccsc1Cl ZINC000358650450 336638206 /nfs/dbraw/zinc/63/82/06/336638206.db2.gz LABYTFIALSZGFW-UPHRSURJSA-N -1 0 310.718 3.573 20 5 DHBDRM O=C(N[C@H]1CCCCC12CCCC2)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000361198709 336744051 /nfs/dbraw/zinc/74/40/51/336744051.db2.gz GGHWDUKDDNPLCL-HNNXBMFYSA-N -1 0 318.373 3.533 20 5 DHBDRM Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cc1Cl ZINC000070870492 337086561 /nfs/dbraw/zinc/08/65/61/337086561.db2.gz PKSBGUXHFXAEFX-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM O=C(Nc1cccc2ccccc21)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432582368 338159750 /nfs/dbraw/zinc/15/97/50/338159750.db2.gz CMEGZLHQXIRBMU-UHFFFAOYSA-N -1 0 308.293 3.706 20 5 DHBDRM O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436615063 338280200 /nfs/dbraw/zinc/28/02/00/338280200.db2.gz CUGWRVNHOZVGPN-UHFFFAOYSA-N -1 0 323.308 3.548 20 5 DHBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(Cl)c1 ZINC000436671718 338282261 /nfs/dbraw/zinc/28/22/61/338282261.db2.gz LLNCSWYFGOJRMO-UHFFFAOYSA-N -1 0 306.705 3.515 20 5 DHBDRM CC(C)CC1(C)CCN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])CC1 ZINC000436766067 338286291 /nfs/dbraw/zinc/28/62/91/338286291.db2.gz ZKMWMMKMZVMQPS-UHFFFAOYSA-N -1 0 320.389 3.589 20 5 DHBDRM CC(C)CC[C@H]1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436889187 338291916 /nfs/dbraw/zinc/29/19/16/338291916.db2.gz QFHDFIRFDHYOSH-CYBMUJFWSA-N -1 0 320.389 3.731 20 5 DHBDRM CCCCn1ncc([N-]c2ncc([N+](=O)[O-])c(C)n2)c1C(C)C ZINC000450480689 338686793 /nfs/dbraw/zinc/68/67/93/338686793.db2.gz VARGCILEWPAXCL-UHFFFAOYSA-N -1 0 318.381 3.557 20 5 DHBDRM CC(C)c1cccc(N(C)C(=O)c2cc([O-])ccc2[N+](=O)[O-])c1 ZINC000469625935 339294736 /nfs/dbraw/zinc/29/47/36/339294736.db2.gz SXRLBHRZRGANRF-UHFFFAOYSA-N -1 0 314.341 3.700 20 5 DHBDRM C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)C ZINC000541822325 340985071 /nfs/dbraw/zinc/98/50/71/340985071.db2.gz FSRJJJDBCFRGRC-ZETCQYMHSA-N -1 0 300.742 3.575 20 5 DHBDRM O=C([O-])c1ccc(CSCc2cccc([N+](=O)[O-])c2)cc1F ZINC000833317081 601813808 /nfs/dbraw/zinc/81/38/08/601813808.db2.gz OGCRZKPKTQZBQB-UHFFFAOYSA-N -1 0 321.329 3.866 20 5 DHBDRM O=C([O-])c1ccc(CSCc2ccc([N+](=O)[O-])cc2)s1 ZINC000833317395 601847121 /nfs/dbraw/zinc/84/71/21/601847121.db2.gz TUXYLEOVNCMLNX-UHFFFAOYSA-N -1 0 309.368 3.788 20 5 DHBDRM Cc1cccc(F)c1CNc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000832969058 602320651 /nfs/dbraw/zinc/32/06/51/602320651.db2.gz GSTCYPHSUOHNRN-UHFFFAOYSA-N -1 0 318.304 3.661 20 5 DHBDRM C[C@H](NC(=O)[O-])c1ccc(CNc2ccc([N+](=O)[O-])s2)cc1 ZINC000825400912 604345615 /nfs/dbraw/zinc/34/56/15/604345615.db2.gz AQXYKINASSGZFX-VIFPVBQESA-N -1 0 321.358 3.597 20 5 DHBDRM CCS[C@H]1CCC[C@H]1Nc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1 ZINC000830158504 604372798 /nfs/dbraw/zinc/37/27/98/604372798.db2.gz WYDRZTPDFFSERC-OLZOCXBDSA-N -1 0 324.402 3.688 20 5 DHBDRM