smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(O)c(NC(=O)c2ccc(Br)cc2[N+](=O)[O-])c1 ZINC000175263304 927142534 /nfs/dbraw/zinc/14/25/34/927142534.db2.gz BSCOUPPSPYYEND-UHFFFAOYSA-N -1 0 365.183 3.878 20 5 FHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2nc3ccccc3s2)c1C ZINC000610481829 931599536 /nfs/dbraw/zinc/59/95/36/931599536.db2.gz UWUISPPLRAEGGD-UHFFFAOYSA-N -1 0 363.420 3.622 20 5 FHBDRM CCC(=C([O-])c1ccc(Cl)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000477040329 931724795 /nfs/dbraw/zinc/72/47/95/931724795.db2.gz OTZHYQOAELNYTK-OAHLLOKOSA-N -1 0 367.810 3.683 20 5 FHBDRM CC(C)(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000157890038 932477008 /nfs/dbraw/zinc/47/70/08/932477008.db2.gz NSMGNAADEXOPAN-UHFFFAOYSA-N -1 0 350.396 3.573 20 5 FHBDRM Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1 ZINC000175971968 932889155 /nfs/dbraw/zinc/88/91/55/932889155.db2.gz LQPUQGDHGRKIBT-UHFFFAOYSA-N -1 0 373.390 3.723 20 5 FHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000471975622 934272993 /nfs/dbraw/zinc/27/29/93/934272993.db2.gz BMLLWGHNAGMNOA-UHFFFAOYSA-N -1 0 374.777 3.511 20 5 FHBDRM CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000610877573 934546922 /nfs/dbraw/zinc/54/69/22/934546922.db2.gz IMIQBGAYFGGRMG-DNVCBOLYSA-N -1 0 370.405 3.540 20 5 FHBDRM CSc1cccc(C)c1[N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-] ZINC000471987744 934656889 /nfs/dbraw/zinc/65/68/89/934656889.db2.gz CBUJRBIJOXOQQL-UHFFFAOYSA-N -1 0 356.400 3.565 20 5 FHBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000472019181 934836884 /nfs/dbraw/zinc/83/68/84/934836884.db2.gz YJFGWAIUKJFBQS-UHFFFAOYSA-N -1 0 367.361 3.572 20 5 FHBDRM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC000262806437 934899680 /nfs/dbraw/zinc/89/96/80/934899680.db2.gz OSCLTEPHIIUIFW-UHFFFAOYSA-N -1 0 356.378 3.790 20 5 FHBDRM O=C(Nc1ccnc(OCc2ccccc2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC001143428681 934929560 /nfs/dbraw/zinc/92/95/60/934929560.db2.gz OZEOROUHLOSYCN-UHFFFAOYSA-N -1 0 365.345 3.527 20 5 FHBDRM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1C ZINC000119986415 935409401 /nfs/dbraw/zinc/40/94/01/935409401.db2.gz IKZMRNHLYHUZTK-UHFFFAOYSA-N -1 0 372.349 3.614 20 5 FHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC(c2cccc(Cl)c2)CC1 ZINC000478245768 935597314 /nfs/dbraw/zinc/59/73/14/935597314.db2.gz BQXVZJPZPRKXDP-UHFFFAOYSA-N -1 0 360.797 3.974 20 5 FHBDRM Cc1coc2ccc([N-]S(=O)(=O)c3c(F)cccc3[N+](=O)[O-])cc12 ZINC000479546787 935858516 /nfs/dbraw/zinc/85/85/16/935858516.db2.gz RAEBUOJCBVFXIO-UHFFFAOYSA-N -1 0 350.327 3.589 20 5 FHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3cnn(C(C)C)c3c2)c([N+](=O)[O-])c1 ZINC000509576727 945132318 /nfs/dbraw/zinc/13/23/18/945132318.db2.gz HSMMWGGWBPDSRT-UHFFFAOYSA-N -1 0 374.422 3.635 20 5 FHBDRM COc1cc([C@H]2Nc3ccccc3C(=O)N2CC(C)C)cc([N+](=O)[O-])c1[O-] ZINC000024098885 935955328 /nfs/dbraw/zinc/95/53/28/935955328.db2.gz LTOKGKHCFNRXCD-SFHVURJKSA-N -1 0 371.393 3.532 20 5 FHBDRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1 ZINC000509581533 945136743 /nfs/dbraw/zinc/13/67/43/945136743.db2.gz CEKDFKKAWXVTSN-CYBMUJFWSA-N -1 0 364.423 3.881 20 5 FHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1ccc(OC(F)F)cc1 ZINC000582933222 936305485 /nfs/dbraw/zinc/30/54/85/936305485.db2.gz IYTCWPOXPLOINN-UHFFFAOYSA-N -1 0 358.684 3.808 20 5 FHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CCCC[C@H]1Cc1ccc(F)cc1 ZINC000582940917 936307989 /nfs/dbraw/zinc/30/79/89/936307989.db2.gz GFJBTRJHEKQIOG-HNNXBMFYSA-N -1 0 358.369 3.677 20 5 FHBDRM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cccc2ccc(O)cc21 ZINC000439989135 945156265 /nfs/dbraw/zinc/15/62/65/945156265.db2.gz PRHPNSYDKVAUKU-UHFFFAOYSA-N -1 0 358.375 3.563 20 5 FHBDRM O=C(COc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)cc(Cl)c1[O-] ZINC000536094486 938341757 /nfs/dbraw/zinc/34/17/57/938341757.db2.gz GQCABMCPGLHACL-UHFFFAOYSA-N -1 0 357.149 3.625 20 5 FHBDRM O=C(c1cc([O-])ccc1[N+](=O)[O-])N1CCC(c2cccc(F)c2F)CC1 ZINC000518230792 945225082 /nfs/dbraw/zinc/22/50/82/945225082.db2.gz LPSYPGCSVCWGMJ-UHFFFAOYSA-N -1 0 362.332 3.598 20 5 FHBDRM O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000516779722 945232503 /nfs/dbraw/zinc/23/25/03/945232503.db2.gz NFHDRSJDSCNDDJ-KRWDZBQOSA-N -1 0 364.760 3.665 20 5 FHBDRM COc1ccccc1CCC(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000540848805 939183158 /nfs/dbraw/zinc/18/31/58/939183158.db2.gz DNJBJFBZRNRWEB-UHFFFAOYSA-N -1 0 350.758 3.534 20 5 FHBDRM CC(C)Oc1ccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c(Cl)c1 ZINC000188332272 939197993 /nfs/dbraw/zinc/19/79/93/939197993.db2.gz WFIOEOROOIOULO-UHFFFAOYSA-N -1 0 350.758 3.993 20 5 FHBDRM CC(C)C[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccs1 ZINC000236585800 940066825 /nfs/dbraw/zinc/06/68/25/940066825.db2.gz YMYUGXZWTQQSLO-CQSZACIVSA-N -1 0 362.407 3.872 20 5 FHBDRM Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(C(C)(F)F)c1 ZINC000188554231 940078328 /nfs/dbraw/zinc/07/83/28/940078328.db2.gz RWCRCTTXSPJEPN-UHFFFAOYSA-N -1 0 372.349 3.521 20 5 FHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(c2ccc(F)c(F)c2)CC1 ZINC000612537934 940131574 /nfs/dbraw/zinc/13/15/74/940131574.db2.gz FYMXQDBJLREIFF-UHFFFAOYSA-N -1 0 362.332 3.598 20 5 FHBDRM COc1cccc2cc(C(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])oc21 ZINC000612628264 940189604 /nfs/dbraw/zinc/18/96/04/940189604.db2.gz USCLICJQFCFLFA-UHFFFAOYSA-N -1 0 362.725 3.961 20 5 FHBDRM C[C@@](CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC000013253236 940451687 /nfs/dbraw/zinc/45/16/87/940451687.db2.gz UEEKTICGZQDUDO-KRWDZBQOSA-N -1 0 362.769 3.619 20 5 FHBDRM Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ncsc2C(C)C)c1C ZINC000582084143 940641377 /nfs/dbraw/zinc/64/13/77/940641377.db2.gz FRJVEJXQDQXABE-UHFFFAOYSA-N -1 0 355.441 3.592 20 5 FHBDRM CCCc1nc(C)c([N-]S(=O)(=O)c2cc(C)c([N+](=O)[O-])cc2C)s1 ZINC000414387658 941082294 /nfs/dbraw/zinc/08/22/94/941082294.db2.gz YWFJNQHRWLSALU-UHFFFAOYSA-N -1 0 369.468 3.730 20 5 FHBDRM O=C(Nc1ccc(OCc2cccnc2)cc1)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000103204326 941273035 /nfs/dbraw/zinc/27/30/35/941273035.db2.gz PQGNJDLALNTELX-UHFFFAOYSA-N -1 0 365.345 3.527 20 5 FHBDRM CSc1c(F)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1F ZINC000544099559 941283753 /nfs/dbraw/zinc/28/37/53/941283753.db2.gz RJNOPMASQVQGGW-UHFFFAOYSA-N -1 0 374.390 3.704 20 5 FHBDRM O=C(Nc1cccc(Cl)c1[O-])c1cc([N+](=O)[O-])ccc1OC(F)F ZINC000182735123 941964166 /nfs/dbraw/zinc/96/41/66/941964166.db2.gz KWCUKYLXQRNGED-UHFFFAOYSA-N -1 0 358.684 3.808 20 5 FHBDRM CN(CCc1cccc2ccccc21)C(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000101673498 942000113 /nfs/dbraw/zinc/00/01/13/942000113.db2.gz ILLVMAJMFPATPI-UHFFFAOYSA-N -1 0 350.374 3.768 20 5 FHBDRM CCOc1ccc([C@@H]2CCCN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1 ZINC000183331128 942085904 /nfs/dbraw/zinc/08/59/04/942085904.db2.gz IOGCAAWMFLOMOB-INIZCTEOSA-N -1 0 356.378 3.676 20 5 FHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000016099620 942113686 /nfs/dbraw/zinc/11/36/86/942113686.db2.gz OXMURHBWRMMZDN-UHFFFAOYSA-N -1 0 364.423 3.702 20 5 FHBDRM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)cc2C(F)(F)F)c1 ZINC000103057708 942193280 /nfs/dbraw/zinc/19/32/80/942193280.db2.gz YYLJQMMFCRDLQL-UHFFFAOYSA-N -1 0 364.276 3.554 20 5 FHBDRM CCCOc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000183439623 942239113 /nfs/dbraw/zinc/23/91/13/942239113.db2.gz SUHVHDALCLQFEO-UHFFFAOYSA-N -1 0 350.758 3.995 20 5 FHBDRM O=C([O-])[C@@H]1CN(c2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[C@H]1C(F)(F)F ZINC000416443090 942835366 /nfs/dbraw/zinc/83/53/66/942835366.db2.gz GQDBFUVHNDBWSA-RNFRBKRXSA-N -1 0 373.114 3.601 20 5 FHBDRM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000421921136 942891566 /nfs/dbraw/zinc/89/15/66/942891566.db2.gz OBKIJTAOHMHQBM-IBGZPJMESA-N -1 0 358.369 3.677 20 5 FHBDRM C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000421922373 942892324 /nfs/dbraw/zinc/89/23/24/942892324.db2.gz POIJDQYBAOXHSC-IBGZPJMESA-N -1 0 358.369 3.677 20 5 FHBDRM C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000421922374 942892328 /nfs/dbraw/zinc/89/23/28/942892328.db2.gz POIJDQYBAOXHSC-LJQANCHMSA-N -1 0 358.369 3.677 20 5 FHBDRM COc1c(Cl)cc(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cc1Cl ZINC000509992412 942904779 /nfs/dbraw/zinc/90/47/79/942904779.db2.gz MEJNERQJLUFAAV-UHFFFAOYSA-N -1 0 357.149 3.868 20 5 FHBDRM O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000183917829 943103450 /nfs/dbraw/zinc/10/34/50/943103450.db2.gz UYPVNZUXOPSSMM-UHFFFAOYSA-N -1 0 371.324 3.666 20 5 FHBDRM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)Cc2ccccc2-3)c1 ZINC000205809389 943143432 /nfs/dbraw/zinc/14/34/32/943143432.db2.gz IDUMVNWIICRSFP-UHFFFAOYSA-N -1 0 366.398 3.967 20 5 FHBDRM CCc1oc2ccccc2c1CN(C)C(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000505604767 943170971 /nfs/dbraw/zinc/17/09/71/943170971.db2.gz CIGNNWOGNVQNIR-UHFFFAOYSA-N -1 0 354.362 3.881 20 5 FHBDRM Cc1cc(OCC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)ccc1[N+](=O)[O-] ZINC000435801034 943777569 /nfs/dbraw/zinc/77/75/69/943777569.db2.gz SDTUTFFHOPVZGS-UHFFFAOYSA-N -1 0 371.176 3.933 20 5 FHBDRM COc1ccccc1Cc1nnc(SCc2cc([O-])ccc2[N+](=O)[O-])o1 ZINC000436476179 944357709 /nfs/dbraw/zinc/35/77/09/944357709.db2.gz QQPQFWOFEJZNKS-UHFFFAOYSA-N -1 0 373.390 3.575 20 5 FHBDRM O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436494474 944362149 /nfs/dbraw/zinc/36/21/49/944362149.db2.gz MMDFRFSDEZEAMM-UHFFFAOYSA-N -1 0 374.246 3.633 20 5 FHBDRM CC(C)Oc1ccc([C@@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000261973850 944384543 /nfs/dbraw/zinc/38/45/43/944384543.db2.gz BPUPAQWBIJRCRP-GFCCVEGCSA-N -1 0 372.377 3.571 20 5 FHBDRM Cc1cc([N+](=O)[O-])c(C)cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000473774634 944417417 /nfs/dbraw/zinc/41/74/17/944417417.db2.gz HGUNDTSJUCYTNZ-UHFFFAOYSA-N -1 0 363.420 3.622 20 5 FHBDRM O=C(Nc1ncc(-c2ccccc2F)s1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436715952 944554675 /nfs/dbraw/zinc/55/46/75/944554675.db2.gz NBJFJWUKCRHJNH-UHFFFAOYSA-N -1 0 359.338 3.815 20 5 FHBDRM O=C(Nc1ccc(Cl)cc1OCC(F)F)c1cccc([N+](=O)[O-])c1[O-] ZINC000436741287 944571573 /nfs/dbraw/zinc/57/15/73/944571573.db2.gz SBZXWHGVXWWILA-UHFFFAOYSA-N -1 0 372.711 3.850 20 5 FHBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(-c2cccnc2)cc1 ZINC000436867072 944732274 /nfs/dbraw/zinc/73/22/74/944732274.db2.gz CIHCLVSLVXHERU-CYBMUJFWSA-N -1 0 363.373 3.853 20 5 FHBDRM Cc1cc(OCc2nc(-c3ccc(O)cc3Cl)no2)ccc1[N+](=O)[O-] ZINC000436868854 944734481 /nfs/dbraw/zinc/73/44/81/944734481.db2.gz KTZPTAITOUMDDK-UHFFFAOYSA-N -1 0 361.741 3.891 20 5 FHBDRM Cc1ccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Br ZINC000436945463 944834289 /nfs/dbraw/zinc/83/42/89/944834289.db2.gz GMNGAQJIXGVFPE-UHFFFAOYSA-N -1 0 351.156 3.624 20 5 FHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CCc2c(Cl)cc(Cl)cc2C1 ZINC000436965825 944844086 /nfs/dbraw/zinc/84/40/86/944844086.db2.gz KVGBZYLZTCAYGH-UHFFFAOYSA-N -1 0 367.188 3.806 20 5 FHBDRM Cc1cc2cccnc2c([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c1 ZINC000507000570 944853608 /nfs/dbraw/zinc/85/36/08/944853608.db2.gz DNULZXNRDKJBRK-UHFFFAOYSA-N -1 0 371.418 3.869 20 5 FHBDRM COc1cccc(C=C2CCN(C(=O)c3ccc([O-])c([N+](=O)[O-])c3)CC2)c1 ZINC000436975342 944862518 /nfs/dbraw/zinc/86/25/18/944862518.db2.gz JPSNYSKDWQXVQP-UHFFFAOYSA-N -1 0 368.389 3.629 20 5 FHBDRM CC[C@H]1CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c2cccc(Cl)c2O1 ZINC000436976097 944864901 /nfs/dbraw/zinc/86/49/01/944864901.db2.gz AMABSCCBUWXMOE-NSHDSACASA-N -1 0 362.769 3.772 20 5 FHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CCC(=Cc2ccccc2F)CC1 ZINC000436977504 944867598 /nfs/dbraw/zinc/86/75/98/944867598.db2.gz RUSSGPMIAQCFIC-UHFFFAOYSA-N -1 0 356.353 3.759 20 5 FHBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cccc1OCC(F)(F)F ZINC000436979283 944867751 /nfs/dbraw/zinc/86/77/51/944867751.db2.gz LHPFHDKGKFAKSN-UHFFFAOYSA-N -1 0 370.283 3.802 20 5 FHBDRM COc1cccc([C@@H]2C[C@@H](C)CN2C(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1 ZINC000436987450 944880107 /nfs/dbraw/zinc/88/01/07/944880107.db2.gz JJDFOCXJESYVDZ-WBMJQRKESA-N -1 0 356.378 3.532 20 5 FHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3nn(C(C)C)cc3c2)c([N+](=O)[O-])c1 ZINC000438750397 945002104 /nfs/dbraw/zinc/00/21/04/945002104.db2.gz BAINFYKWGPBJOA-UHFFFAOYSA-N -1 0 374.422 3.635 20 5 FHBDRM C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C2CC2)o1 ZINC000164197583 945613174 /nfs/dbraw/zinc/61/31/74/945613174.db2.gz YZRZMRAUGADTHP-NHYWBVRUSA-N -1 0 356.378 3.822 20 5 FHBDRM Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000125305846 945708934 /nfs/dbraw/zinc/70/89/34/945708934.db2.gz RVFZLSTUBBMJDT-UHFFFAOYSA-N -1 0 358.778 3.805 20 5 FHBDRM CCCOc1ccc([C@@H](C)NCc2cc([O-])ccc2[N+](=O)[O-])cc1OC ZINC000549536243 945847805 /nfs/dbraw/zinc/84/78/05/945847805.db2.gz QSMCWTPSTYEBKH-CYBMUJFWSA-N -1 0 360.410 3.949 20 5 FHBDRM 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O=C([O-])[C@H](CNc1ccc2ncccc2c1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000739503542 600433682 /nfs/dbraw/zinc/43/36/82/600433682.db2.gz SUHOKTLWZDPLMD-ZDUSSCGKSA-N -1 0 369.352 3.638 20 5 FHBDRM O=C([O-])c1cc(OCC(=O)c2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000739329014 600442367 /nfs/dbraw/zinc/44/23/67/600442367.db2.gz MWXMVPNFFCSDFJ-UHFFFAOYSA-N -1 0 351.314 3.708 20 5 FHBDRM O=C([O-])c1cc(OCc2ncc(-c3ccc(F)cc3)o2)ccc1[N+](=O)[O-] ZINC000740088702 600443781 /nfs/dbraw/zinc/44/37/81/600443781.db2.gz VMFYMXAPHBPYEV-UHFFFAOYSA-N -1 0 358.281 3.666 20 5 FHBDRM O=C([O-])c1cc(Oc2ncnc3c4ccccc4oc32)ccc1[N+](=O)[O-] ZINC000740087685 600461848 /nfs/dbraw/zinc/46/18/48/600461848.db2.gz KWMKKFJJDIEXAG-UHFFFAOYSA-N -1 0 351.274 3.775 20 5 FHBDRM C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])c(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000736648515 600513511 /nfs/dbraw/zinc/51/35/11/600513511.db2.gz FUHMANPASCLAJJ-SECBINFHSA-N -1 0 363.757 3.829 20 5 FHBDRM CCN(C(=O)[C@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)[O-] ZINC000737049252 600523083 /nfs/dbraw/zinc/52/30/83/600523083.db2.gz DCXNVFGEZFURJS-LBPRGKRZSA-N -1 0 374.418 3.827 20 5 FHBDRM CCN(C(=O)[C@@H](C)Sc1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)[O-] ZINC000737049248 600523088 /nfs/dbraw/zinc/52/30/88/600523088.db2.gz DCXNVFGEZFURJS-GFCCVEGCSA-N -1 0 374.418 3.827 20 5 FHBDRM C[C@H](SCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736709757 600542145 /nfs/dbraw/zinc/54/21/45/600542145.db2.gz VSSDBWAMCWFFRU-NSHDSACASA-N -1 0 360.391 3.553 20 5 FHBDRM Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738553305 600543830 /nfs/dbraw/zinc/54/38/30/600543830.db2.gz WFAWPKTYRLZVEF-UHFFFAOYSA-N -1 0 372.377 3.742 20 5 FHBDRM O=C([O-])c1cc(NC(=O)CCSc2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000739252236 600543910 /nfs/dbraw/zinc/54/39/10/600543910.db2.gz QJFBSFMVTBLIFA-UHFFFAOYSA-N -1 0 364.354 3.553 20 5 FHBDRM CN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[C@H](C(=O)[O-])c1ccccc1 ZINC000737336009 600595540 /nfs/dbraw/zinc/59/55/40/600595540.db2.gz 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FHBDRM O=C([O-])COc1ccc(NCc2cccc([N+](=O)[O-])c2)c2ccccc12 ZINC000833258971 602114836 /nfs/dbraw/zinc/11/48/36/602114836.db2.gz DTWZRORYWBULCZ-UHFFFAOYSA-N -1 0 352.346 3.824 20 5 FHBDRM Cc1cc(NCc2ccccc2OC(F)F)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898195 602313341 /nfs/dbraw/zinc/31/33/41/602313341.db2.gz GITNTHKPCKECGJ-UHFFFAOYSA-N -1 0 352.293 3.815 20 5 FHBDRM CN(C(=O)[O-])c1ccc(Nc2ncc(Br)cc2[N+](=O)[O-])cc1 ZINC000830519008 602314676 /nfs/dbraw/zinc/31/46/76/602314676.db2.gz KQNIMERYRVVJFK-UHFFFAOYSA-N -1 0 367.159 3.610 20 5 FHBDRM Cc1cc(N[C@H](c2ccccc2)[C@H]2CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038873 602315134 /nfs/dbraw/zinc/31/51/34/602315134.db2.gz VGDBCGMHPSRZOI-IAGOWNOFSA-N -1 0 356.378 3.934 20 5 FHBDRM Cc1cc(N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000515851193 602315320 /nfs/dbraw/zinc/31/53/20/602315320.db2.gz NFSBLRKLBVOVLI-GFCCVEGCSA-N -1 0 372.425 3.522 20 5 FHBDRM Cc1cc(NCc2cccc(OCC(F)F)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898187 602316559 /nfs/dbraw/zinc/31/65/59/602316559.db2.gz FWYYIHAOVSHRIX-UHFFFAOYSA-N -1 0 366.320 3.857 20 5 FHBDRM Cc1cc(N2C[C@H](C)O[C@@H](c3ccsc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000592976241 602323649 /nfs/dbraw/zinc/32/36/49/602323649.db2.gz OVAQLPDXMPKQQI-XHDPSFHLSA-N -1 0 362.407 3.629 20 5 FHBDRM CC[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000828952444 602369895 /nfs/dbraw/zinc/36/98/95/602369895.db2.gz XBIFFYWVZUPEIN-HNNXBMFYSA-N -1 0 361.329 3.705 20 5 FHBDRM O=C([O-])NC1(c2noc(-c3cc4cc([N+](=O)[O-])ccc4s3)n2)CCCC1 ZINC000740548164 602412501 /nfs/dbraw/zinc/41/25/01/602412501.db2.gz OHMXVENPVMACEX-UHFFFAOYSA-N -1 0 374.378 3.896 20 5 FHBDRM O=C([O-])N1CC[C@@H](CCNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000740425575 602417634 /nfs/dbraw/zinc/41/76/34/602417634.db2.gz FAMAFWIEPJQHDJ-CQSZACIVSA-N -1 0 363.417 3.508 20 5 FHBDRM O=C([O-])N1CCCc2cc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)ccc21 ZINC000740523281 602431886 /nfs/dbraw/zinc/43/18/86/602431886.db2.gz 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364.357 3.849 20 5 FHBDRM C[C@@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccccc1C(F)(F)F ZINC000505916990 944889454 /nfs/dbraw/zinc/88/94/54/944889454.db2.gz AAHXUNPPLXXFQH-SECBINFHSA-N -1 0 354.284 3.810 20 5 FHBDRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000511733393 944965833 /nfs/dbraw/zinc/96/58/33/944965833.db2.gz FQBJMJRHNGENNR-ZDUSSCGKSA-N -1 0 364.423 3.881 20 5 FHBDRM COc1ccc([C@@H]2CCCN2Cc2cc([O-])ccc2[N+](=O)[O-])c(OC)c1 ZINC000506704101 945043585 /nfs/dbraw/zinc/04/35/85/945043585.db2.gz AWCOULYGRVQVPD-SFHVURJKSA-N -1 0 358.394 3.655 20 5 FHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(OCc2ccccn2)cc1 ZINC000124966867 945408433 /nfs/dbraw/zinc/40/84/33/945408433.db2.gz BKVCYCHNOKBJPW-UHFFFAOYSA-N -1 0 365.345 3.527 20 5 FHBDRM COc1cc([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1csc2ccccc21 ZINC000506832418 945456327 /nfs/dbraw/zinc/45/63/27/945456327.db2.gz LRIKDIBJMAKTIB-UHFFFAOYSA-N -1 0 364.404 3.619 20 5 FHBDRM 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948000926 /nfs/dbraw/zinc/00/09/26/948000926.db2.gz DEYLOAIDOTTXIA-UHFFFAOYSA-N -1 0 364.760 3.898 20 5 FHBDRM Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])c3cccnc32)c(C)c1 ZINC000184764539 948387312 /nfs/dbraw/zinc/38/73/12/948387312.db2.gz QYSNPJSZTVDMED-UHFFFAOYSA-N -1 0 371.418 3.869 20 5 FHBDRM O=C(Nc1ccc(F)cc1OCC(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432493505 948584465 /nfs/dbraw/zinc/58/44/65/948584465.db2.gz JXXXIVSKCVUPPQ-UHFFFAOYSA-N -1 0 374.246 3.633 20 5 FHBDRM CCOCc1ccc(NS(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)cc1 ZINC000541806939 567895772 /nfs/dbraw/zinc/89/57/72/567895772.db2.gz ZGWMQOSRCWSRBN-UHFFFAOYSA-N -1 0 364.423 3.549 20 5 FHBDRM Cc1cnc(C2CCN(c3cc(C)c([N+](=O)[O-])cc3C(=O)[O-])CC2)s1 ZINC000568637242 568103344 /nfs/dbraw/zinc/10/33/44/568103344.db2.gz KKUDHWFGJHSDHW-UHFFFAOYSA-N -1 0 361.423 3.750 20 5 FHBDRM O=C(Nc1cccc(COCc2ccco2)c1)c1cc([N+](=O)[O-])ccc1[O-] ZINC000181896646 568137730 /nfs/dbraw/zinc/13/77/30/568137730.db2.gz QWVLASJEFLQQFS-UHFFFAOYSA-N -1 0 368.345 3.863 20 5 FHBDRM Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)[N-]c2ccc(C)c3ncccc23)c1 ZINC000481854962 568163019 /nfs/dbraw/zinc/16/30/19/568163019.db2.gz DCLKLJWVBBOMGQ-UHFFFAOYSA-N -1 0 371.418 3.869 20 5 FHBDRM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc([O-])c([N+](=O)[O-])c2)C12CCCCC2 ZINC000436636523 568203689 /nfs/dbraw/zinc/20/36/89/568203689.db2.gz VMVIYTRJOLAXJG-SJORKVTESA-N -1 0 362.426 3.500 20 5 FHBDRM Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(OCC(F)(F)F)c1 ZINC000436672329 568265361 /nfs/dbraw/zinc/26/53/61/568265361.db2.gz NDUCVTVOYQKVRW-UHFFFAOYSA-N -1 0 370.283 3.802 20 5 FHBDRM O=C([O-])Cc1ccc(-c2ccc(OC[C@H]3CCCCO3)cc2)c([N+](=O)[O-])c1 ZINC000570175151 568459302 /nfs/dbraw/zinc/45/93/02/568459302.db2.gz ADJWFURTMWVPGO-QGZVFWFLSA-N -1 0 371.389 3.837 20 5 FHBDRM COc1cc(CNc2ccc(-c3ccccc3)c(C)n2)cc([N+](=O)[O-])c1[O-] ZINC000570250804 568466400 /nfs/dbraw/zinc/46/64/00/568466400.db2.gz VHFOFSGQMHGTST-UHFFFAOYSA-N -1 0 365.389 3.713 20 5 FHBDRM Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CCC[C@H]2c2ccc(Cl)cc2)n1 ZINC000570454335 568478105 /nfs/dbraw/zinc/47/81/05/568478105.db2.gz JNKMKYKJIOGIFK-AWEZNQCLSA-N -1 0 361.785 3.991 20 5 FHBDRM Cc1cc(N2C[C@@H](C)O[C@@H](c3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570931358 568726726 /nfs/dbraw/zinc/72/67/26/568726726.db2.gz MLCWGSXEZXXIFE-CXAGYDPISA-N -1 0 356.378 3.568 20 5 FHBDRM Cc1cc(N2C[C@@H](C)O[C@H](c3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000570931359 568726756 /nfs/dbraw/zinc/72/67/56/568726756.db2.gz MLCWGSXEZXXIFE-DYVFJYSZSA-N -1 0 356.378 3.568 20 5 FHBDRM C[C@H]1C[C@@H]1c1ccc(CNc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000736760314 599706053 /nfs/dbraw/zinc/70/60/53/599706053.db2.gz CCPIWRGENTWJQT-KWQFWETISA-N -1 0 361.310 3.530 20 5 FHBDRM O=C([O-])N1CCC[C@H](Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000739928875 599843693 /nfs/dbraw/zinc/84/36/93/599843693.db2.gz YILNRGGYECDLKI-ZETCQYMHSA-N -1 0 367.711 3.821 20 5 FHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000439934981 599844804 /nfs/dbraw/zinc/84/48/04/599844804.db2.gz ROSVYQUXPUQLCD-INIZCTEOSA-N -1 0 374.418 3.571 20 5 FHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000538503842 599848110 /nfs/dbraw/zinc/84/81/10/599848110.db2.gz OBQVUZGOGJKTEL-OAHLLOKOSA-N -1 0 374.418 3.571 20 5 FHBDRM Cc1ccc2c(c1C)OC[C@@H]2Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000738674908 599873582 /nfs/dbraw/zinc/87/35/82/599873582.db2.gz IBVPJTXOOZCXRI-SBSDFTTDSA-N -1 0 354.362 3.855 20 5 FHBDRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1cc(F)ccc1[N+](=O)[O-] ZINC000739435844 599873724 /nfs/dbraw/zinc/87/37/24/599873724.db2.gz HVKHYVJCAOONLK-UHFFFAOYSA-N -1 0 374.349 3.577 20 5 FHBDRM CCSc1ccc([C@H](C)NC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000485677045 600063740 /nfs/dbraw/zinc/06/37/40/600063740.db2.gz YBSWPGQMHGLYSG-NSHDSACASA-N -1 0 374.418 3.896 20 5 FHBDRM O=C([O-])Nc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1F 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934547310 /nfs/dbraw/zinc/54/73/10/934547310.db2.gz AVVQLKHCGYTEFE-UHFFFAOYSA-N -1 0 362.332 3.598 20 5 FHBDRM COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000588481484 934656851 /nfs/dbraw/zinc/65/68/51/934656851.db2.gz PPVLTVIYMZARRG-FPLPWBNLSA-N -1 0 368.798 3.669 20 5 FHBDRM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1 ZINC000472002300 934804398 /nfs/dbraw/zinc/80/43/98/934804398.db2.gz MAHMYSXBXCHWEK-UHFFFAOYSA-N -1 0 353.334 3.643 20 5 FHBDRM O=C(Nc1ccc2[nH]c(C3CCC3)nc2c1)c1cccc([O-])c1[N+](=O)[O-] ZINC000539446965 935214153 /nfs/dbraw/zinc/21/41/53/935214153.db2.gz PBKQOKAJBSJVGO-UHFFFAOYSA-N -1 0 352.350 3.697 20 5 FHBDRM CCOc1ccc([N+](=O)[O-])c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000263527265 935239275 /nfs/dbraw/zinc/23/92/75/935239275.db2.gz KMYLAWOZYLEBQQ-LBPRGKRZSA-N -1 0 372.377 3.509 20 5 FHBDRM O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000439951746 945119404 /nfs/dbraw/zinc/11/94/04/945119404.db2.gz 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CC(=O)c1ccc(NCc2ccc(OCCCC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000582907993 936281592 /nfs/dbraw/zinc/28/15/92/936281592.db2.gz QAGMQFAQQIKZOH-UHFFFAOYSA-N -1 0 372.377 3.653 20 5 FHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000583710209 938369341 /nfs/dbraw/zinc/36/93/41/938369341.db2.gz NNLDTHAXZJPXQE-OIISXLGYSA-N -1 0 352.390 3.709 20 5 FHBDRM CCCCn1ncc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C(C)C ZINC000480229226 938499851 /nfs/dbraw/zinc/49/98/51/938499851.db2.gz PEWZPALMGWAWBT-UHFFFAOYSA-N -1 0 366.443 3.516 20 5 FHBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(C)cc1Br ZINC000536198171 938555829 /nfs/dbraw/zinc/55/58/29/938555829.db2.gz OWJLYGLQHSDSSS-UHFFFAOYSA-N -1 0 365.183 3.932 20 5 FHBDRM O=C(N[C@H](CCc1ccccc1)C(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000507371689 945190871 /nfs/dbraw/zinc/19/08/71/945190871.db2.gz RUBLLVORRINDKZ-OAHLLOKOSA-N -1 0 368.311 3.594 20 5 FHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CCC(Oc2ccc(F)cc2F)CC1 ZINC000092092731 938910771 /nfs/dbraw/zinc/91/07/71/938910771.db2.gz SLCGNSYGBHVIMB-UHFFFAOYSA-N -1 0 364.348 3.622 20 5 FHBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2[O-])c(Br)s1 ZINC000144314402 938951198 /nfs/dbraw/zinc/95/11/98/938951198.db2.gz UBKLVDSMEYZYLQ-UHFFFAOYSA-N -1 0 357.185 3.685 20 5 FHBDRM C[C@@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507466345 945253502 /nfs/dbraw/zinc/25/35/02/945253502.db2.gz IAHBNNBUQGJISM-ZDUSSCGKSA-N -1 0 372.421 3.795 20 5 FHBDRM O=C(Nc1ncc(-c2ccc(F)cc2)s1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000432181550 945273899 /nfs/dbraw/zinc/27/38/99/945273899.db2.gz CPXWJFSTGNTMBL-UHFFFAOYSA-N -1 0 359.338 3.815 20 5 FHBDRM CC(C)(C)c1ccc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000611463230 939808799 /nfs/dbraw/zinc/80/87/99/939808799.db2.gz CTWNLFWKPQHXPA-HXUWFJFHSA-N -1 0 370.405 3.622 20 5 FHBDRM C[C@H](NC(=O)c1cc([O-])cc([N+](=O)[O-])c1)c1ccc(-c2ccncc2)cc1 ZINC000506776344 945294602 /nfs/dbraw/zinc/29/46/02/945294602.db2.gz JLAARBWBDSPHGS-ZDUSSCGKSA-N -1 0 363.373 3.853 20 5 FHBDRM Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000506777183 945298914 /nfs/dbraw/zinc/29/89/14/945298914.db2.gz LDPBURXKYHGFAL-KXBFYZLASA-N -1 0 370.405 3.507 20 5 FHBDRM CC(C)c1c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cnn1-c1ccccc1 ZINC000376077572 940281291 /nfs/dbraw/zinc/28/12/91/940281291.db2.gz SBSWXGHHHVCQCC-UHFFFAOYSA-N -1 0 366.377 3.862 20 5 FHBDRM O=[N+]([O-])c1ccc([O-])cc1CN1CC2(CCOCC2)[C@@H]1c1ccccc1 ZINC000412006711 940374658 /nfs/dbraw/zinc/37/46/58/940374658.db2.gz CLJBBFVLYUOEFE-IBGZPJMESA-N -1 0 354.406 3.654 20 5 FHBDRM O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1cccc(Cl)c1[N+](=O)[O-] ZINC000175726309 940920150 /nfs/dbraw/zinc/92/01/50/940920150.db2.gz PPNSQIJDLIQVMZ-UHFFFAOYSA-N -1 0 357.656 3.687 20 5 FHBDRM COc1cccc([C@H](C)C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1 ZINC000186066015 940940321 /nfs/dbraw/zinc/94/03/21/940940321.db2.gz SKBLOKJKCUUCIM-VIFPVBQESA-N -1 0 350.758 3.705 20 5 FHBDRM O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000180815175 941080656 /nfs/dbraw/zinc/08/06/56/941080656.db2.gz RQRBFJFSQIODMB-UHFFFAOYSA-N -1 0 360.313 3.556 20 5 FHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1[N+](=O)[O-] ZINC000189252626 941155262 /nfs/dbraw/zinc/15/52/62/941155262.db2.gz CALXXGRINIROHG-UHFFFAOYSA-N -1 0 363.420 3.622 20 5 FHBDRM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1[N+](=O)[O-] ZINC000189280699 941156739 /nfs/dbraw/zinc/15/67/39/941156739.db2.gz IPWMCYHNNBACLD-UHFFFAOYSA-N -1 0 356.350 3.950 20 5 FHBDRM O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(Cl)ccc1Br ZINC000180768639 941358030 /nfs/dbraw/zinc/35/80/30/941358030.db2.gz GENKDJUEBPEKFM-UHFFFAOYSA-N -1 0 371.574 3.969 20 5 FHBDRM CC(C)c1ncc(Cl)c(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000180787717 941358169 /nfs/dbraw/zinc/35/81/69/941358169.db2.gz KHVYRDYUFYWSAD-UHFFFAOYSA-N -1 0 371.180 3.773 20 5 FHBDRM CCC(=O)c1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2CC)c1 ZINC000433612917 941797717 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FHBDRM Cc1ccc([C@@H](CNc2ccc3ncccc3c2[N+](=O)[O-])C(=O)[O-])cc1 ZINC000738568174 600433775 /nfs/dbraw/zinc/43/37/75/600433775.db2.gz IQVYPHLCOIIRDH-OAHLLOKOSA-N -1 0 351.362 3.732 20 5 FHBDRM O=C([O-])c1cc(OCc2ccc(OCC(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000740087991 600443051 /nfs/dbraw/zinc/44/30/51/600443051.db2.gz NRCLEUHFSUIHJU-UHFFFAOYSA-N -1 0 371.267 3.813 20 5 FHBDRM O=C([O-])c1cc(OCCOc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-] ZINC000740086770 600445476 /nfs/dbraw/zinc/44/54/76/600445476.db2.gz ABJSXUDFGNCISG-UHFFFAOYSA-N -1 0 371.267 3.770 20 5 FHBDRM CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)c2csc([N+](=O)[O-])c2)s1 ZINC000736295275 600451535 /nfs/dbraw/zinc/45/15/35/600451535.db2.gz WWYQDCRMQAXQDG-UHFFFAOYSA-N -1 0 354.409 3.966 20 5 FHBDRM Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)c(C)c1 ZINC000738357744 600462988 /nfs/dbraw/zinc/46/29/88/600462988.db2.gz HQEFXTGLTHPTQM-CYBMUJFWSA-N -1 0 372.377 3.624 20 5 FHBDRM O=C([O-])c1cc(NC(=O)c2ccc(OC3CCCC3)cc2)cc([N+](=O)[O-])c1 ZINC000740089485 600543073 /nfs/dbraw/zinc/54/30/73/600543073.db2.gz ZOJORCPKQYXAJF-UHFFFAOYSA-N -1 0 370.361 3.867 20 5 FHBDRM O=C([O-])c1cc(NC(=O)c2cc3c(s2)CCCCC3)cc([N+](=O)[O-])c1 ZINC000740090016 600543839 /nfs/dbraw/zinc/54/38/39/600543839.db2.gz JIXYFCJLGMZVKZ-UHFFFAOYSA-N -1 0 360.391 3.876 20 5 FHBDRM O=C([O-])c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc([N+](=O)[O-])c1 ZINC000740081059 600543883 /nfs/dbraw/zinc/54/38/83/600543883.db2.gz KCEHKOMWURDZQV-UHFFFAOYSA-N -1 0 372.352 3.883 20 5 FHBDRM O=C([O-])c1sc(NCCCCc2ccc([N+](=O)[O-])cc2)nc1Cl ZINC000740278647 600560813 /nfs/dbraw/zinc/56/08/13/600560813.db2.gz JRSMMNXRNRQDSR-UHFFFAOYSA-N -1 0 355.803 3.838 20 5 FHBDRM O=C([O-])[C@@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000740289656 600572570 /nfs/dbraw/zinc/57/25/70/600572570.db2.gz GCLPHPVBRRXWNX-ZDUSSCGKSA-N -1 0 370.144 3.884 20 5 FHBDRM CC[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cccc(OC)c1 ZINC000736926830 600757427 /nfs/dbraw/zinc/75/74/27/600757427.db2.gz 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ZINC000827577519 603924668 /nfs/dbraw/zinc/92/46/68/603924668.db2.gz OJNXIHDVIMMBSO-UHFFFAOYSA-N -1 0 357.366 3.519 20 5 FHBDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cccc(Cl)c2[N+](=O)[O-])cc1 ZINC000825449336 603988264 /nfs/dbraw/zinc/98/82/64/603988264.db2.gz OQDNDWRZEOOGJF-VIFPVBQESA-N -1 0 363.757 3.829 20 5 FHBDRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000825442453 604004326 /nfs/dbraw/zinc/00/43/26/604004326.db2.gz HLEVKHLQNFLQDT-SECBINFHSA-N -1 0 363.757 3.829 20 5 FHBDRM Cc1cc(F)cc(C(=O)Nc2ccc([C@H](C)NC(=O)[O-])cc2)c1[N+](=O)[O-] ZINC000830061670 604068745 /nfs/dbraw/zinc/06/87/45/604068745.db2.gz LNTWXUFOPCHOEA-JTQLQIEISA-N -1 0 361.329 3.623 20 5 FHBDRM CC[C@@H](NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000826613610 604136835 /nfs/dbraw/zinc/13/68/35/604136835.db2.gz MXEPUXXWLPATIM-OAHLLOKOSA-N -1 0 358.354 3.958 20 5 FHBDRM CC(C)[C@@H]1OCCC[C@H]1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000826746758 604269870 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ZINC000832896801 602312910 /nfs/dbraw/zinc/31/29/10/602312910.db2.gz FFKLUZNTEFGQPM-INIZCTEOSA-N -1 0 366.377 3.536 20 5 FHBDRM Cc1cc(N2CC[C@H](COCc3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000567739365 602320106 /nfs/dbraw/zinc/32/01/06/602320106.db2.gz LHBYJLATAIGZNF-INIZCTEOSA-N -1 0 370.405 3.645 20 5 FHBDRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(C(=O)[O-])c(F)c2)cc1[N+](=O)[O-] ZINC000832920761 602386196 /nfs/dbraw/zinc/38/61/96/602386196.db2.gz FOQNKQGYFBVRRJ-JTQLQIEISA-N -1 0 361.329 3.623 20 5 FHBDRM CSc1ccc(-c2nc([C@@H](CC(C)C)NC(=O)[O-])no2)cc1[N+](=O)[O-] ZINC000740023330 602409296 /nfs/dbraw/zinc/40/92/96/602409296.db2.gz VYVFIKAIRWRPGG-SNVBAGLBSA-N -1 0 366.399 3.722 20 5 FHBDRM O=C([O-])N1CC[C@H](CCNC(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000740425574 602417559 /nfs/dbraw/zinc/41/75/59/602417559.db2.gz FAMAFWIEPJQHDJ-AWEZNQCLSA-N -1 0 363.417 3.508 20 5 FHBDRM CC(C)(CCC(=O)N(c1cccc([N+](=O)[O-])c1)C1CCCC1)NC(=O)[O-] ZINC000738740150 602805186 /nfs/dbraw/zinc/80/51/86/602805186.db2.gz 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Cc1c(NC(=O)Nc2cccc3c2CCN3C(=O)[O-])cccc1[N+](=O)[O-] ZINC000829884588 603967861 /nfs/dbraw/zinc/96/78/61/603967861.db2.gz QDSMSDSDIBHOQE-UHFFFAOYSA-N -1 0 356.338 3.588 20 5 FHBDRM O=C([O-])N1CCc2c1cccc2NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000831797359 604017922 /nfs/dbraw/zinc/01/79/22/604017922.db2.gz IKFHELAGULWBBR-UHFFFAOYSA-N -1 0 361.741 3.541 20 5 FHBDRM COc1nc(C)cc(C)c1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000832650000 604264250 /nfs/dbraw/zinc/26/42/50/604264250.db2.gz XGRPEMVVKQSAHL-UHFFFAOYSA-N -1 0 365.773 3.579 20 5 FHBDRM CC(C)[C@H]1OCCC[C@H]1CNc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000826746760 604270024 /nfs/dbraw/zinc/27/00/24/604270024.db2.gz AYZDNROVLDJKQH-ZUZCIYMTSA-N -1 0 356.806 3.810 20 5 FHBDRM O=C([O-])c1cc(NC(=O)c2ccc(F)cc2C(F)(F)F)cc([N+](=O)[O-])c1 ZINC000833299589 604318801 /nfs/dbraw/zinc/31/88/01/604318801.db2.gz BLTRXZIAXVUMKC-UHFFFAOYSA-N -1 0 372.230 3.703 20 5 FHBDRM O=C([O-])CCCN(Cc1ccccc1)C(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000777392374 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943346724 /nfs/dbraw/zinc/34/67/24/943346724.db2.gz AXYZEZLFFQIWTG-UHFFFAOYSA-N -1 0 359.357 3.513 20 5 FHBDRM Cc1c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000515100276 943506195 /nfs/dbraw/zinc/50/61/95/943506195.db2.gz XWUHYVTVSCAQMT-UHFFFAOYSA-N -1 0 372.768 3.700 20 5 FHBDRM C[C@H](Cc1cncc2ccccc21)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000504232559 943548958 /nfs/dbraw/zinc/54/89/58/943548958.db2.gz KTUDUFHGJBMGEF-GFCCVEGCSA-N -1 0 351.362 3.666 20 5 FHBDRM O=[N+]([O-])c1cccc(F)c1CSc1n[n-]c(=NCc2ccco2)s1 ZINC000504530591 943658021 /nfs/dbraw/zinc/65/80/21/943658021.db2.gz XEBDBTVIHVWAED-UHFFFAOYSA-N -1 0 366.399 3.505 20 5 FHBDRM Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2[O-])cnn1-c1cc(C)ccc1C ZINC000437504956 943851286 /nfs/dbraw/zinc/85/12/86/943851286.db2.gz WJUWDOGUGMVYLL-UHFFFAOYSA-N -1 0 366.377 3.664 20 5 FHBDRM CC[C@H](CNC(=O)c1cc([O-])ccc1[N+](=O)[O-])Oc1ccccc1Cl ZINC000500026488 943977160 /nfs/dbraw/zinc/97/71/60/943977160.db2.gz AVASWBSJKNMFIE-GFCCVEGCSA-N -1 0 364.785 3.541 20 5 FHBDRM O=[N+]([O-])c1ccc(Nc2ccccc2)c([N-]S(=O)(=O)c2ccco2)c1 ZINC000437686975 944033124 /nfs/dbraw/zinc/03/31/24/944033124.db2.gz OKHYSFWQYMITOB-UHFFFAOYSA-N -1 0 359.363 3.732 20 5 FHBDRM Cc1coc(-c2cc(NC(=O)c3cccc([N+](=O)[O-])c3[O-])ccc2C)n1 ZINC000164260404 944329871 /nfs/dbraw/zinc/32/98/71/944329871.db2.gz ODZIAWQXMOAJBC-UHFFFAOYSA-N -1 0 353.334 3.825 20 5 FHBDRM Cc1cc(F)cc(C(=O)[N-]c2nc(-c3ccccc3)ns2)c1[N+](=O)[O-] ZINC000123653954 944399947 /nfs/dbraw/zinc/39/99/47/944399947.db2.gz GTFDAHIUVKGROM-UHFFFAOYSA-N -1 0 358.354 3.813 20 5 FHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000436551992 944410421 /nfs/dbraw/zinc/41/04/21/944410421.db2.gz AZAZFMSQTRNOOK-JQHSSLGASA-N -1 0 352.390 3.709 20 5 FHBDRM Cc1c(NC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cccc1OCC(F)(F)F ZINC000506189093 944411150 /nfs/dbraw/zinc/41/11/50/944411150.db2.gz KRGMEAHKRPIHSC-UHFFFAOYSA-N -1 0 370.283 3.802 20 5 FHBDRM O=C(NCCc1cccc(Cl)c1Cl)c1cc([O-])ccc1[N+](=O)[O-] ZINC000506207051 944511752 /nfs/dbraw/zinc/51/17/52/944511752.db2.gz WRSQYHFEIPIHBM-UHFFFAOYSA-N -1 0 355.177 3.580 20 5 FHBDRM O=C(Nc1ccc2oc(C(F)(F)F)nc2c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436777060 944606276 /nfs/dbraw/zinc/60/62/76/944606276.db2.gz XMHKHLPFUIWEBR-UHFFFAOYSA-N -1 0 367.239 3.713 20 5 FHBDRM Cc1nc(CNCc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc1C(=O)[O-] ZINC000426699748 944700547 /nfs/dbraw/zinc/70/05/47/944700547.db2.gz LXQLPRRABIWRQH-UHFFFAOYSA-N -1 0 373.390 3.608 20 5 FHBDRM O=C(Nc1cccc(Oc2ccncc2)c1)c1ccc([N+](=O)[O-])cc1[O-] ZINC000436874807 944742254 /nfs/dbraw/zinc/74/22/54/944742254.db2.gz VVBVRAOHLOHEIW-UHFFFAOYSA-N -1 0 351.318 3.740 20 5 FHBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)cnn1-c1ccc(Cl)cc1 ZINC000516357821 944767364 /nfs/dbraw/zinc/76/73/64/944767364.db2.gz KHHQJOKUPONVMF-UHFFFAOYSA-N -1 0 372.768 3.700 20 5 FHBDRM O=C([O-])[C@@H](NCc1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccccc1 ZINC000426769973 944787415 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GAWWVAXMALYLQT-UHFFFAOYSA-N -1 0 360.391 3.586 20 5 FHBDRM O=[N+]([O-])c1ccc([O-])cc1C[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000506662154 944914851 /nfs/dbraw/zinc/91/48/51/944914851.db2.gz LXAXZJHWVBGPBO-UHFFFAOYSA-N -1 0 352.394 3.556 20 5 FHBDRM CC[C@@H](C)Oc1ccc([N-]S(=O)(=O)c2c(C)cccc2[N+](=O)[O-])cc1 ZINC000511685317 944917097 /nfs/dbraw/zinc/91/70/97/944917097.db2.gz BGEMDMQUEMJHJP-CYBMUJFWSA-N -1 0 364.423 3.881 20 5 FHBDRM O=C([O-])c1cc(NCc2ccc(N3CCCCCC3)nc2)ccc1[N+](=O)[O-] ZINC000549513319 945045913 /nfs/dbraw/zinc/04/59/13/945045913.db2.gz WKGAESNYSBBFMM-UHFFFAOYSA-N -1 0 370.409 3.681 20 5 FHBDRM O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507669096 945421260 /nfs/dbraw/zinc/42/12/60/945421260.db2.gz NFLQQXCGIIXGQD-UHFFFAOYSA-N -1 0 373.365 3.739 20 5 FHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc(-c2ccccc2)cs1 ZINC000107355072 945564007 /nfs/dbraw/zinc/56/40/07/945564007.db2.gz XATVRYZOOVEFBH-NSHDSACASA-N -1 0 369.402 3.915 20 5 FHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3cccc(C(F)(F)F)c3)no2)cc1[O-] ZINC000445206598 947603790 /nfs/dbraw/zinc/60/37/90/947603790.db2.gz IHDMJEILLYKALU-UHFFFAOYSA-N -1 0 365.267 3.960 20 5 FHBDRM CO[C@H](c1noc(-c2ccc([N+](=O)[O-])c([O-])c2)n1)c1cccc(Cl)c1 ZINC000445231729 947613756 /nfs/dbraw/zinc/61/37/56/947613756.db2.gz FKDXTOWUPZWYPI-AWEZNQCLSA-N -1 0 361.741 3.740 20 5 FHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3c[nH]c4cc(F)ccc34)no2)cc1[O-] ZINC000445235611 947630351 /nfs/dbraw/zinc/63/03/51/947630351.db2.gz SFBUUNYRIAPANX-UHFFFAOYSA-N -1 0 354.297 3.562 20 5 FHBDRM COc1ccccc1[C@@H]1CCCCN1C(=O)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000613938247 948250417 /nfs/dbraw/zinc/25/04/17/948250417.db2.gz UHEREHBLTNNBSQ-KRWDZBQOSA-N -1 0 356.378 3.676 20 5 FHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1Cl ZINC000543950974 948363703 /nfs/dbraw/zinc/36/37/03/948363703.db2.gz LDHBNSDAUMFTBK-UHFFFAOYSA-N -1 0 368.798 3.560 20 5 FHBDRM CC(C)C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1 ZINC000327715788 948393368 /nfs/dbraw/zinc/39/33/68/948393368.db2.gz RSUCFGDSRMOFDL-OAHLLOKOSA-N -1 0 366.414 3.800 20 5 FHBDRM Cc1cc(N2CCC[C@H]2c2ccc3c(c2)OCO3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000568637685 568103361 /nfs/dbraw/zinc/10/33/61/568103361.db2.gz XNOGWOLPXGOIHT-HNNXBMFYSA-N -1 0 370.361 3.672 20 5 FHBDRM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C)c2ncccc12 ZINC000481862004 568162974 /nfs/dbraw/zinc/16/29/74/568162974.db2.gz UJVZUIIPJOHRBJ-UHFFFAOYSA-N -1 0 357.391 3.561 20 5 FHBDRM CCc1cc(C)cc(CC)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1 ZINC000481866690 568165602 /nfs/dbraw/zinc/16/56/02/568165602.db2.gz KMQYKUOEKCDDJG-UHFFFAOYSA-N -1 0 354.453 3.890 20 5 FHBDRM CN(C)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])c(C(F)(F)F)c1 ZINC000181907793 568169511 /nfs/dbraw/zinc/16/95/11/568169511.db2.gz XQSJKDQWKDXTLE-UHFFFAOYSA-N -1 0 369.299 3.638 20 5 FHBDRM Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccn2)cc1 ZINC000436649676 568231276 /nfs/dbraw/zinc/23/12/76/568231276.db2.gz WMKGMZHJBUJBKC-IBGZPJMESA-N -1 0 363.373 3.523 20 5 FHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000436666745 568263785 /nfs/dbraw/zinc/26/37/85/568263785.db2.gz RPIILCAKGFCZGN-QGZVFWFLSA-N -1 0 364.760 3.665 20 5 FHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000436664089 568265231 /nfs/dbraw/zinc/26/52/31/568265231.db2.gz KRIPUFFEYBMVQK-KRWDZBQOSA-N -1 0 364.760 3.665 20 5 FHBDRM CCOc1ccccc1[N-]S(=O)(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1 ZINC000007418731 568505433 /nfs/dbraw/zinc/50/54/33/568505433.db2.gz TYBZRXSVLPCWCA-UHFFFAOYSA-N -1 0 370.814 3.756 20 5 FHBDRM O=C([O-])c1cccc(CNCc2csc(-c3cccc([N+](=O)[O-])c3)n2)c1 ZINC000617338520 598194128 /nfs/dbraw/zinc/19/41/28/598194128.db2.gz JVRIXLJUIHZUKQ-UHFFFAOYSA-N -1 0 369.402 3.706 20 5 FHBDRM O=C([O-])/C=C\c1ccc(NC[C@@H]2CCc3ccccc3N2)c([N+](=O)[O-])c1 ZINC000739624900 599711571 /nfs/dbraw/zinc/71/15/71/599711571.db2.gz MVMQGOGNTTYAFL-MLBQELRYSA-N -1 0 353.378 3.531 20 5 FHBDRM O=C([O-])c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)sc2c1CCC2 ZINC000739488899 599835416 /nfs/dbraw/zinc/83/54/16/599835416.db2.gz CQYYGPSLEKAPIK-UHFFFAOYSA-N -1 0 372.358 3.842 20 5 FHBDRM Cc1ccc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000610851994 599868986 /nfs/dbraw/zinc/86/89/86/599868986.db2.gz IYQJOPRRCSVGLP-UHFFFAOYSA-N -1 0 370.386 3.746 20 5 FHBDRM O=C([O-])[C@H](CNc1ccc([N+](=O)[O-])c2cnccc12)Cc1cccc(F)c1 ZINC000739502923 599956133 /nfs/dbraw/zinc/95/61/33/599956133.db2.gz RAFKSTZIMIWTRO-ZDUSSCGKSA-N -1 0 369.352 3.638 20 5 FHBDRM O=C([O-])CSCc1cccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c1 ZINC000739872651 599987850 /nfs/dbraw/zinc/98/78/50/599987850.db2.gz VIXLTTVTTFKCJQ-UHFFFAOYSA-N -1 0 361.379 3.557 20 5 FHBDRM Cc1cccc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)c1[N+](=O)[O-] ZINC000485816733 600068634 /nfs/dbraw/zinc/06/86/34/600068634.db2.gz JUQUDIJWQNPIAR-UHFFFAOYSA-N -1 0 374.418 3.863 20 5 FHBDRM O=C([O-])c1cc(C(=O)Nc2cccc(SC(F)F)c2)cc([N+](=O)[O-])c1 ZINC000738673077 600092171 /nfs/dbraw/zinc/09/21/71/600092171.db2.gz PCEPUXCCEJHECD-UHFFFAOYSA-N -1 0 368.317 3.860 20 5 FHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H](c3ccccc3)CC2)cc([N+](=O)[O-])c1 ZINC000238163514 600123377 /nfs/dbraw/zinc/12/33/77/600123377.db2.gz YUYLUVPEXCILGN-OAHLLOKOSA-N -1 0 368.389 3.703 20 5 FHBDRM O=C([O-])c1cc(NC(=O)CCCCC(=O)c2ccccc2)cc([N+](=O)[O-])c1 ZINC000739233371 600190360 /nfs/dbraw/zinc/19/03/60/600190360.db2.gz BOCPPIGYKJPSKZ-UHFFFAOYSA-N -1 0 370.361 3.675 20 5 FHBDRM O=C([O-])c1cc(NC(=O)/C=C\c2ccc(Cl)s2)cc([N+](=O)[O-])c1 ZINC000739214434 600191338 /nfs/dbraw/zinc/19/13/38/600191338.db2.gz DYNVJTNSSWCMHH-RQOWECAXSA-N -1 0 352.755 3.660 20 5 FHBDRM O=C([O-])c1cc(Cl)cc(NCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 ZINC000740071760 600208061 /nfs/dbraw/zinc/20/80/61/600208061.db2.gz AVKZROKIDZANTE-UHFFFAOYSA-N -1 0 374.740 3.609 20 5 FHBDRM CC(C)(C)c1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000192955088 600226937 /nfs/dbraw/zinc/22/69/37/600226937.db2.gz CLCCPGZZYXLADE-AWEZNQCLSA-N -1 0 368.389 3.721 20 5 FHBDRM O=C([O-])c1ccc2nc(SCCCOc3ccc([N+](=O)[O-])cc3)oc2c1 ZINC000740212345 600277975 /nfs/dbraw/zinc/27/79/75/600277975.db2.gz HJWNZZPECPYJRG-UHFFFAOYSA-N -1 0 374.374 3.995 20 5 FHBDRM C[C@H](NC(=O)Nc1ccc(CN(C)C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000736649347 600342445 /nfs/dbraw/zinc/34/24/45/600342445.db2.gz RXACZCHMWVVPMA-LBPRGKRZSA-N -1 0 372.381 3.587 20 5 FHBDRM O=C([O-])c1cc(-c2nc(-c3nccc4ccccc43)no2)cc([N+](=O)[O-])c1 ZINC000738670210 600362299 /nfs/dbraw/zinc/36/22/99/600362299.db2.gz VUMQLWJPTRQCRN-UHFFFAOYSA-N -1 0 362.301 3.558 20 5 FHBDRM O=C([O-])c1ccc(Cl)c(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000739346641 600380856 /nfs/dbraw/zinc/38/08/56/600380856.db2.gz UHOXSZNXIRMJJN-UHFFFAOYSA-N -1 0 369.160 3.781 20 5 FHBDRM CC[C@@H](C(=O)[O-])N(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccccc1 ZINC000736851915 600384806 /nfs/dbraw/zinc/38/48/06/600384806.db2.gz RLBPZQWEAIEURP-AWEZNQCLSA-N -1 0 374.418 3.827 20 5 FHBDRM Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000237576600 600388030 /nfs/dbraw/zinc/38/80/30/600388030.db2.gz YWWMUMAQCCOIIT-BBRMVZONSA-N -1 0 368.389 3.620 20 5 FHBDRM CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000736298344 600392241 /nfs/dbraw/zinc/39/22/41/600392241.db2.gz PVNPCPYDZXZFQO-MRXNPFEDSA-N -1 0 370.405 3.838 20 5 FHBDRM O=C([O-])c1cc(OCc2ccccc2Br)ccc1[N+](=O)[O-] ZINC000123831425 600441134 /nfs/dbraw/zinc/44/11/34/600441134.db2.gz MGRKPLKAWRTBEQ-UHFFFAOYSA-N -1 0 352.140 3.635 20 5 FHBDRM O=C([O-])c1cc(OCc2cccc(OCC(F)(F)F)c2)ccc1[N+](=O)[O-] ZINC000740088682 600445328 /nfs/dbraw/zinc/44/53/28/600445328.db2.gz UCKHWWCHBGTCEN-UHFFFAOYSA-N -1 0 371.267 3.813 20 5 FHBDRM Cc1ccccc1[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)C ZINC000738758145 600450217 /nfs/dbraw/zinc/45/02/17/600450217.db2.gz ITXWMYRETUUAEJ-KRWDZBQOSA-N -1 0 356.378 3.729 20 5 FHBDRM CCN(C(=O)c1cc(SC)ccc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC000737057511 600523546 /nfs/dbraw/zinc/52/35/46/600523546.db2.gz GEFFDRZOANLKIU-UHFFFAOYSA-N -1 0 360.391 3.682 20 5 FHBDRM Cc1nc2sc3c(c2c(Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1)CCC3 ZINC000738865602 600524008 /nfs/dbraw/zinc/52/40/08/600524008.db2.gz ZCWUGQUMCLTFGJ-UHFFFAOYSA-N -1 0 371.374 3.887 20 5 FHBDRM CC(C)(C(=O)Nc1cc(Cl)cc(C(=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 ZINC000736223720 600528470 /nfs/dbraw/zinc/52/84/70/600528470.db2.gz KJUZDNKHJOXEKS-UHFFFAOYSA-N -1 0 362.769 3.863 20 5 FHBDRM COc1ccc2oc(C)c(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)c2c1 ZINC000738078362 600544736 /nfs/dbraw/zinc/54/47/36/600544736.db2.gz DPKBRUYVSSSBOJ-UHFFFAOYSA-N -1 0 370.317 3.609 20 5 FHBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2CCCN(c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC000739627400 600624533 /nfs/dbraw/zinc/62/45/33/600624533.db2.gz YUSOTSPTLYDFKF-PXUDHTSWSA-N -1 0 367.405 3.774 20 5 FHBDRM C[C@@H]1C[C@H](c2ccccc2)CN1c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000736760060 600625307 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ZINC000738113138 599707870 /nfs/dbraw/zinc/70/78/70/599707870.db2.gz WJWFRBLWXMAGSF-QPBFKRLHSA-N -1 0 370.361 3.637 20 5 FHBDRM Cc1c(CN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)cccc1[N+](=O)[O-] ZINC000738289857 599794349 /nfs/dbraw/zinc/79/43/49/599794349.db2.gz WYGLLQFBTPMVEI-UHFFFAOYSA-N -1 0 365.389 3.641 20 5 FHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)cc([N+](=O)[O-])c2)cc1 ZINC000439934982 599845008 /nfs/dbraw/zinc/84/50/08/599845008.db2.gz ROSVYQUXPUQLCD-MRXNPFEDSA-N -1 0 374.418 3.571 20 5 FHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)NCc1c2ccccc2sc1C(=O)[O-] ZINC000610852801 599870001 /nfs/dbraw/zinc/87/00/01/599870001.db2.gz YRMOJMUXWWLLCQ-UHFFFAOYSA-N -1 0 370.386 3.746 20 5 FHBDRM O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc([N+](=O)[O-])cc1F ZINC000739435876 599870871 /nfs/dbraw/zinc/87/08/71/599870871.db2.gz JCHBJYLBQCFVRI-UHFFFAOYSA-N -1 0 374.349 3.577 20 5 FHBDRM Cc1c(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cccc1[N+](=O)[O-] ZINC000610852418 599872742 /nfs/dbraw/zinc/87/27/42/599872742.db2.gz 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3.635 20 5 FHBDRM O=C([O-])c1cc(OCCOc2ccc3ccccc3c2)ccc1[N+](=O)[O-] ZINC000740088102 600443006 /nfs/dbraw/zinc/44/30/06/600443006.db2.gz QKFFHOSIBGVGNH-UHFFFAOYSA-N -1 0 353.330 3.904 20 5 FHBDRM O=C([O-])c1cc(Oc2nc(C(F)F)nc3ccccc32)ccc1[N+](=O)[O-] ZINC000740088393 600462037 /nfs/dbraw/zinc/46/20/37/600462037.db2.gz VMCFQUKWZSPOHL-UHFFFAOYSA-N -1 0 361.260 3.966 20 5 FHBDRM CC(C)(C)[C@@H]1OCCC[C@H]1CNc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000736250259 600488008 /nfs/dbraw/zinc/48/80/08/600488008.db2.gz JFPNMUKTCWYNNC-UZEIEJMOSA-N -1 0 362.426 3.946 20 5 FHBDRM CC(C)N(CCC(=O)[O-])C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000236765676 600561396 /nfs/dbraw/zinc/56/13/96/600561396.db2.gz QLQGUEXTRGXDCZ-UHFFFAOYSA-N -1 0 371.393 3.664 20 5 FHBDRM O=C([O-])[C@H](OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000740289654 600572441 /nfs/dbraw/zinc/57/24/41/600572441.db2.gz GCLPHPVBRRXWNX-CYBMUJFWSA-N -1 0 370.144 3.884 20 5 FHBDRM O=C([O-])c1cc(Cl)ccc1OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 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938683622 /nfs/dbraw/zinc/68/36/22/938683622.db2.gz RFRLGOLQRZRBNP-UHFFFAOYSA-N -1 0 360.189 3.530 20 5 FHBDRM Cc1c(NC(=O)c2cc([O-])ccc2[N+](=O)[O-])cnn1-c1ccc(Cl)cc1 ZINC000584382849 938789976 /nfs/dbraw/zinc/78/99/76/938789976.db2.gz QCNMSTAKTSSZAH-UHFFFAOYSA-N -1 0 372.768 3.700 20 5 FHBDRM O=C(NCCc1c(Cl)cccc1Cl)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507443785 945239848 /nfs/dbraw/zinc/23/98/48/945239848.db2.gz YGKNMZGELRZIQW-UHFFFAOYSA-N -1 0 355.177 3.580 20 5 FHBDRM CCC1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)(C(=O)[O-])CC1 ZINC000562412192 939323685 /nfs/dbraw/zinc/32/36/85/939323685.db2.gz CCOMRIFSFVSDBC-UHFFFAOYSA-N -1 0 369.805 3.793 20 5 FHBDRM C[C@H](COc1ccc(C(C)(C)C)cc1)NC(=O)c1cc([O-])ccc1[N+](=O)[O-] ZINC000507466341 945253371 /nfs/dbraw/zinc/25/33/71/945253371.db2.gz IAHBNNBUQGJISM-CYBMUJFWSA-N -1 0 372.421 3.795 20 5 FHBDRM O=C(Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccnc1C(F)(F)F ZINC000188433149 939875124 /nfs/dbraw/zinc/87/51/24/939875124.db2.gz KBOZIYLAXMKIQC-UHFFFAOYSA-N -1 0 361.663 3.620 20 5 FHBDRM O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC[C@@H](CSc2ccccc2)C1 ZINC000179523795 939881704 /nfs/dbraw/zinc/88/17/04/939881704.db2.gz FZBSCXDPLHVQBP-CYBMUJFWSA-N -1 0 358.419 3.555 20 5 FHBDRM O=C(Nc1cc(Cl)cc(Br)c1[O-])c1ccc([N+](=O)[O-])o1 ZINC000179820559 939952450 /nfs/dbraw/zinc/95/24/50/939952450.db2.gz PYEVJKSFAMQVNY-UHFFFAOYSA-N -1 0 361.535 3.562 20 5 FHBDRM Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc([O-])cc([N+](=O)[O-])c2)cc1 ZINC000506777181 945298545 /nfs/dbraw/zinc/29/85/45/945298545.db2.gz LDPBURXKYHGFAL-HNAYVOBHSA-N -1 0 370.405 3.507 20 5 FHBDRM O=C([O-])c1cc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000506774095 945302748 /nfs/dbraw/zinc/30/27/48/945302748.db2.gz GMBRGCIQLADAES-MRXNPFEDSA-N -1 0 374.780 3.924 20 5 FHBDRM CC(C)Oc1c(Cl)cccc1NC(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000180033878 940296885 /nfs/dbraw/zinc/29/68/85/940296885.db2.gz XMZCBOVEWGABDL-UHFFFAOYSA-N -1 0 350.758 3.993 20 5 FHBDRM Cc1ccc2nc([N-]S(=O)(=O)c3ccc(C)cc3[N+](=O)[O-])sc2c1 ZINC000066247012 940361264 /nfs/dbraw/zinc/36/12/64/940361264.db2.gz WWOYMVLUHMDTEO-UHFFFAOYSA-N -1 0 363.420 3.622 20 5 FHBDRM C[C@@](CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)(C(=O)[O-])c1ccccc1 ZINC000013253648 940451616 /nfs/dbraw/zinc/45/16/16/940451616.db2.gz NJHVVNXNQBFOEX-KRWDZBQOSA-N -1 0 362.769 3.619 20 5 FHBDRM C[C@@H](NC(=O)c1cc([O-])ccc1[N+](=O)[O-])c1ccc(OCC2CC2)c(F)c1 ZINC000580323569 940472755 /nfs/dbraw/zinc/47/27/55/940472755.db2.gz QMDVJEMMGGYJRK-LLVKDONJSA-N -1 0 374.368 3.719 20 5 FHBDRM CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(Cl)cc2[O-])cc1OC ZINC000536220838 940509225 /nfs/dbraw/zinc/50/92/25/940509225.db2.gz WEFZUTLWHLLODX-UHFFFAOYSA-N -1 0 366.757 3.613 20 5 FHBDRM Cc1cc(NCc2cc(COC(C)(C)C)on2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000582124420 940648135 /nfs/dbraw/zinc/64/81/35/940648135.db2.gz CPXJRPXFYYPNSP-UHFFFAOYSA-N -1 0 363.370 3.517 20 5 FHBDRM Cc1noc(-c2ccccc2)c1[N-]C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC000545315844 940924628 /nfs/dbraw/zinc/92/46/28/940924628.db2.gz HZRGXUHYGSGPBW-UHFFFAOYSA-N -1 0 367.317 3.539 20 5 FHBDRM CC1CCC(N(C[C@H]2CCCO2)C(=O)c2ccc([N+](=O)[O-])cc2[O-])CC1 ZINC000187297785 941091196 /nfs/dbraw/zinc/09/11/96/941091196.db2.gz KOIXFPTYMPDZCK-ZBCRRDGASA-N -1 0 362.426 3.500 20 5 FHBDRM CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])cc1C ZINC000189316973 941156064 /nfs/dbraw/zinc/15/60/64/941156064.db2.gz GODZHGXQFXLGHO-UHFFFAOYSA-N -1 0 362.407 3.523 20 5 FHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000013403882 941383800 /nfs/dbraw/zinc/38/38/00/941383800.db2.gz NNMGWYGBMVYIHK-QNCMIEPLSA-N -1 0 372.402 3.812 20 5 FHBDRM CC(C)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccc(Cl)c1F ZINC000472745605 941668379 /nfs/dbraw/zinc/66/83/79/941668379.db2.gz DRHAEYQAIZVIFF-UHFFFAOYSA-N -1 0 372.805 3.601 20 5 FHBDRM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC000433616304 941788576 /nfs/dbraw/zinc/78/85/76/941788576.db2.gz JYTYIBQCILJRSP-UHFFFAOYSA-N -1 0 368.798 3.642 20 5 FHBDRM CCCC(=O)Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1C ZINC000063107820 942055786 /nfs/dbraw/zinc/05/57/86/942055786.db2.gz DXXSBTODLYAKNB-UHFFFAOYSA-N -1 0 357.366 3.600 20 5 FHBDRM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCCC3)c([N+](=O)[O-])c1 ZINC000421171957 942401363 /nfs/dbraw/zinc/40/13/63/942401363.db2.gz IMVMSVXUYVYCPI-UHFFFAOYSA-N -1 0 374.418 3.613 20 5 FHBDRM CN(Cc1csc2ccccc12)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237190122 942433131 /nfs/dbraw/zinc/43/31/31/942433131.db2.gz HEHFETPVUSVVRB-UHFFFAOYSA-N -1 0 370.386 3.780 20 5 FHBDRM COc1cc([C@@H](C)NC(=O)c2cc([O-])ccc2[N+](=O)[O-])ccc1OC(C)C ZINC000505274665 942440495 /nfs/dbraw/zinc/44/04/95/942440495.db2.gz VEWWRYXIKCWBAI-GFCCVEGCSA-N -1 0 374.393 3.587 20 5 FHBDRM O=C(NCc1ccc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1[O-] ZINC001167735914 942708143 /nfs/dbraw/zinc/70/81/43/942708143.db2.gz PYMDNCMBODNXRF-UHFFFAOYSA-N -1 0 354.387 3.959 20 5 FHBDRM O=C([O-])CCCCCNc1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-] ZINC000416425241 942808653 /nfs/dbraw/zinc/80/86/53/942808653.db2.gz HOMBDIRTERKMRH-UHFFFAOYSA-N -1 0 371.262 3.701 20 5 FHBDRM O=C(c1cccc([O-])c1[N+](=O)[O-])N1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000413978002 942857895 /nfs/dbraw/zinc/85/78/95/942857895.db2.gz IAQBSOLXJISKSK-MRXNPFEDSA-N -1 0 352.390 3.710 20 5 FHBDRM O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000163991214 943045372 /nfs/dbraw/zinc/04/53/72/943045372.db2.gz WGOPBBJYNWEUEA-UHFFFAOYSA-N -1 0 358.684 3.808 20 5 FHBDRM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1cc([O-])ccc1[N+](=O)[O-] ZINC000503942760 943428040 /nfs/dbraw/zinc/42/80/40/943428040.db2.gz CMCGZYAYCYTPFU-AWEZNQCLSA-N -1 0 362.769 3.598 20 5 FHBDRM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cc2[nH]ccc2cc1C ZINC000436174010 944087967 /nfs/dbraw/zinc/08/79/67/944087967.db2.gz IHUQZGLXSBZNPA-UHFFFAOYSA-N -1 0 359.407 3.748 20 5 FHBDRM O=C(Nc1nc(-c2ccccc2F)cs1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000505799230 944221780 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371.393 3.576 20 5 FHBDRM O=C(NCc1ccc(OC2CCCC2)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436720763 944560639 /nfs/dbraw/zinc/56/06/39/944560639.db2.gz JGRVODCTPKSADM-UHFFFAOYSA-N -1 0 356.378 3.552 20 5 FHBDRM CC(C)CCn1ncc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C(C)C ZINC000436737242 944567460 /nfs/dbraw/zinc/56/74/60/944567460.db2.gz IYPOHLQOWKVDCB-UHFFFAOYSA-N -1 0 360.414 3.919 20 5 FHBDRM C[C@@H](Oc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1[O-])C(F)(F)F ZINC000436745746 944574393 /nfs/dbraw/zinc/57/43/93/944574393.db2.gz BDLCUMNCIMTOCW-SECBINFHSA-N -1 0 370.283 3.882 20 5 FHBDRM O=C(Nc1ccc(Cl)cc1OCC(F)F)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436750451 944591172 /nfs/dbraw/zinc/59/11/72/944591172.db2.gz XBTKYUIVFDZVRK-UHFFFAOYSA-N -1 0 372.711 3.850 20 5 FHBDRM O=C(Nc1cccc(NCC(F)(F)F)c1)c1cccc([N+](=O)[O-])c1[O-] ZINC000436791764 944642100 /nfs/dbraw/zinc/64/21/00/944642100.db2.gz KXXHDGCSUYJRIG-UHFFFAOYSA-N -1 0 355.272 3.527 20 5 FHBDRM COc1cccc(C=C2CCN(C(=O)c3cccc([N+](=O)[O-])c3[O-])CC2)c1 ZINC000436795307 944648558 /nfs/dbraw/zinc/64/85/58/944648558.db2.gz FCZVAVZZEMMIFB-UHFFFAOYSA-N -1 0 368.389 3.629 20 5 FHBDRM C[C@@]1(c2ccccc2)CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436858554 944723108 /nfs/dbraw/zinc/72/31/08/944723108.db2.gz OIYSUYSSIVFURX-HXUWFJFHSA-N -1 0 354.406 3.884 20 5 FHBDRM Cc1cccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2[O-])c2ccccn2)c1 ZINC000436894857 944748730 /nfs/dbraw/zinc/74/87/30/944748730.db2.gz VADCZPOPLCFGRM-LJQANCHMSA-N -1 0 363.373 3.523 20 5 FHBDRM CC[C@@H](C)Oc1cccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])c1 ZINC000509595862 944760720 /nfs/dbraw/zinc/76/07/20/944760720.db2.gz KTSIHXYPEQEEKR-CYBMUJFWSA-N -1 0 364.423 3.881 20 5 FHBDRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000516380687 944796531 /nfs/dbraw/zinc/79/65/31/944796531.db2.gz XNOKFKFVLQFGGP-UONOGXRCSA-N -1 0 371.393 3.513 20 5 FHBDRM O=C([O-])[C@H](NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(F)c1 ZINC000426804167 944826080 /nfs/dbraw/zinc/82/60/80/944826080.db2.gz SJKJXBNDBKIVSH-GOSISDBHSA-N -1 0 370.336 3.909 20 5 FHBDRM O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436946030 944833319 /nfs/dbraw/zinc/83/33/19/944833319.db2.gz BVBBVAILZSSFLP-LJQANCHMSA-N -1 0 366.348 3.959 20 5 FHBDRM O=C(C[C@H]1CCCCCN1C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccco1 ZINC000436962241 944838267 /nfs/dbraw/zinc/83/82/67/944838267.db2.gz DPHRKHUYWUNPEY-CYBMUJFWSA-N -1 0 372.377 3.551 20 5 FHBDRM O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436961979 944839361 /nfs/dbraw/zinc/83/93/61/944839361.db2.gz VYVSRKOJXVLKEZ-LBPRGKRZSA-N -1 0 354.284 3.724 20 5 FHBDRM O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436965190 944841798 /nfs/dbraw/zinc/84/17/98/944841798.db2.gz SNOASBUYXNJERJ-AAEUAGOBSA-N -1 0 366.295 3.605 20 5 FHBDRM CCCN(C(=O)c1ccc([O-])c([N+](=O)[O-])c1)[C@@H](C)c1ccccc1OC ZINC000436955827 944852145 /nfs/dbraw/zinc/85/21/45/944852145.db2.gz 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3.617 20 5 FHBDRM Cc1cc(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)ccc1[N+](=O)[O-] ZINC000485800203 600067685 /nfs/dbraw/zinc/06/76/85/600067685.db2.gz TXNQRYHZDZIEHJ-UHFFFAOYSA-N -1 0 374.418 3.863 20 5 FHBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cc1ccc(F)cc1C(=O)[O-] ZINC000737451597 600083007 /nfs/dbraw/zinc/08/30/07/600083007.db2.gz QUXUDVMHIXEXSW-UHFFFAOYSA-N -1 0 352.749 3.718 20 5 FHBDRM O=C([O-])c1coc(C(=O)COc2ccc(-c3ccccc3)cc2[N+](=O)[O-])c1 ZINC000740257547 600149133 /nfs/dbraw/zinc/14/91/33/600149133.db2.gz KABFHQKAYVHSOC-UHFFFAOYSA-N -1 0 367.313 3.815 20 5 FHBDRM CC[C@@H](Sc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736929735 600186952 /nfs/dbraw/zinc/18/69/52/600186952.db2.gz TZSZNBMCQFQWST-OAHLLOKOSA-N -1 0 360.391 3.802 20 5 FHBDRM O=C([O-])CCSCCNc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000739751670 600282588 /nfs/dbraw/zinc/28/25/88/600282588.db2.gz JHTNMNLRALAPDI-UHFFFAOYSA-N -1 0 372.752 3.887 20 5 FHBDRM Cc1cc(COc2ccc([N+](=O)[O-])cc2Br)oc1C(=O)[O-] ZINC000738395279 600429338 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373.361 3.536 20 5 FHBDRM Cc1ccc(CN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C2CC2)cc1C ZINC000237719445 600690354 /nfs/dbraw/zinc/69/03/54/600690354.db2.gz CVSIMFXPEVDNHF-UHFFFAOYSA-N -1 0 368.389 3.715 20 5 FHBDRM Cc1ccc(CC[C@@H](C)Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])o1 ZINC000832929533 600821478 /nfs/dbraw/zinc/82/14/78/600821478.db2.gz AHCPELIEHHDBTM-SECBINFHSA-N -1 0 363.326 3.536 20 5 FHBDRM O=C([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCC(C2CCCC2)CC1 ZINC000833307461 600823697 /nfs/dbraw/zinc/82/36/97/600823697.db2.gz NPSMRMDJAJZFGA-UHFFFAOYSA-N -1 0 363.370 3.608 20 5 FHBDRM CSc1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000738195484 600850776 /nfs/dbraw/zinc/85/07/76/600850776.db2.gz JXEJOKLXAULOBR-GFCCVEGCSA-N -1 0 372.402 3.535 20 5 FHBDRM CC[C@@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)C(C)(C)c1ccccc1 ZINC000736914532 600864005 /nfs/dbraw/zinc/86/40/05/600864005.db2.gz VAFUGVXUFRHONE-QGZVFWFLSA-N -1 0 370.405 3.779 20 5 FHBDRM 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601058510 /nfs/dbraw/zinc/05/85/10/601058510.db2.gz ILNKQBUULGNCGI-UHFFFAOYSA-N -1 0 372.377 3.653 20 5 FHBDRM C[C@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000192968526 601085348 /nfs/dbraw/zinc/08/53/48/601085348.db2.gz SPZXVRQDVCOLIM-GTNSWQLSSA-N -1 0 372.352 3.655 20 5 FHBDRM C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000192968514 601085374 /nfs/dbraw/zinc/08/53/74/601085374.db2.gz SPZXVRQDVCOLIM-DIFFPNOSSA-N -1 0 372.352 3.655 20 5 FHBDRM O=C([O-])c1cc(C(=O)N2CC[C@H]2c2ccc(Cl)cc2)cc([N+](=O)[O-])c1 ZINC000738668975 601087136 /nfs/dbraw/zinc/08/71/36/601087136.db2.gz KYPFOOXHASGPFN-HNNXBMFYSA-N -1 0 360.753 3.534 20 5 FHBDRM O=C([O-])c1ccc(CNc2ccc([N+](=O)[O-])cc2Br)cc1 ZINC000043596322 601091892 /nfs/dbraw/zinc/09/18/92/601091892.db2.gz UFXGMVXIEWINJK-UHFFFAOYSA-N -1 0 351.156 3.668 20 5 FHBDRM CC[C@H](NC(=O)Nc1ccc(N(C)C(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828951066 601337021 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356.256 3.580 20 5 FHBDRM COCCCC[C@H](NC(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1 ZINC000437005042 944902151 /nfs/dbraw/zinc/90/21/51/944902151.db2.gz WDXUDWARXTWAHZ-INIZCTEOSA-N -1 0 358.394 3.588 20 5 FHBDRM CC[C@H](C)Oc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 ZINC000511730097 944976246 /nfs/dbraw/zinc/97/62/46/944976246.db2.gz PDJQRIDTDMCFGX-LBPRGKRZSA-N -1 0 350.396 3.573 20 5 FHBDRM O=C(Nc1cccc(Oc2ccccn2)c1)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000506705192 945047298 /nfs/dbraw/zinc/04/72/98/945047298.db2.gz PVZDZPUCNJEZLD-UHFFFAOYSA-N -1 0 351.318 3.740 20 5 FHBDRM C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1nc(-c2ccccc2)cs1 ZINC000107355074 945563551 /nfs/dbraw/zinc/56/35/51/945563551.db2.gz XATVRYZOOVEFBH-LLVKDONJSA-N -1 0 369.402 3.915 20 5 FHBDRM C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1 ZINC000444365264 945815834 /nfs/dbraw/zinc/81/58/34/945815834.db2.gz BAYBOUSDFCFITC-LBPRGKRZSA-N -1 0 352.346 3.860 20 5 FHBDRM 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366.329 3.707 20 5 FHBDRM Cc1ccc(CCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1Cl ZINC000738589637 600191294 /nfs/dbraw/zinc/19/12/94/600191294.db2.gz QFHAUOADBOSENX-UHFFFAOYSA-N -1 0 362.769 3.826 20 5 FHBDRM O=C([O-])c1cc(C(=O)N2CC[C@@H](c3ccc(Cl)cc3)C2)cc([N+](=O)[O-])c1 ZINC000738669479 600208835 /nfs/dbraw/zinc/20/88/35/600208835.db2.gz OUCAYSBFFQLQQY-GFCCVEGCSA-N -1 0 374.780 3.576 20 5 FHBDRM O=C([O-])c1ccc(CCC(=O)OCc2cc([N+](=O)[O-])ccc2Cl)cc1 ZINC000739261633 600209439 /nfs/dbraw/zinc/20/94/39/600209439.db2.gz WSZIKNPEWSADHN-UHFFFAOYSA-N -1 0 363.753 3.622 20 5 FHBDRM CC(C)[C@H](NC(=O)[O-])C(=O)OCc1nc2ccccc2c2ccccc12 ZINC000736384496 600210061 /nfs/dbraw/zinc/21/00/61/600210061.db2.gz HQVMIVNABYDIQY-SFHVURJKSA-N -1 0 352.390 3.723 20 5 FHBDRM COc1cccc(C(=O)[O-])c1OC(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 ZINC000738087719 600251067 /nfs/dbraw/zinc/25/10/67/600251067.db2.gz CAVSNYSPWWSNFE-UHFFFAOYSA-N -1 0 373.361 3.818 20 5 FHBDRM CN(Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000737485187 600305995 /nfs/dbraw/zinc/30/59/95/600305995.db2.gz BXCVAAAEZSFOSX-UHFFFAOYSA-N -1 0 363.757 3.610 20 5 FHBDRM CC(C)(C(=O)Oc1ccc(C(=O)[O-])cc1Cl)c1ccc([N+](=O)[O-])cc1 ZINC000736231815 600521266 /nfs/dbraw/zinc/52/12/66/600521266.db2.gz HDQKPXFWFVJSAN-UHFFFAOYSA-N -1 0 363.753 3.830 20 5 FHBDRM CN(C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737336069 600602019 /nfs/dbraw/zinc/60/20/19/600602019.db2.gz JEQAKGVVYAVSIO-QGZVFWFLSA-N -1 0 370.405 3.790 20 5 FHBDRM CCOc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000737195891 600619840 /nfs/dbraw/zinc/61/98/40/600619840.db2.gz ZAYOVKKYNFULDV-UHFFFAOYSA-N -1 0 364.741 3.597 20 5 FHBDRM CCc1ccc(Oc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 ZINC000737267064 600626618 /nfs/dbraw/zinc/62/66/18/600626618.db2.gz BXAWOQPGZFTJGO-VMPITWQZSA-N -1 0 358.306 3.956 20 5 FHBDRM O=C([O-])/C=C/c1ccc(N[C@H](CCCO)c2ccccc2)c([N+](=O)[O-])c1 ZINC000739625765 600710280 /nfs/dbraw/zinc/71/02/80/600710280.db2.gz RFNMLFYPLUTSPS-PXUDHTSWSA-N -1 0 356.378 3.618 20 5 FHBDRM O=C([O-])C[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1 ZINC000776675837 600798311 /nfs/dbraw/zinc/79/83/11/600798311.db2.gz XACYWANEPLBMLB-FSNWXROXSA-N -1 0 374.780 3.594 20 5 FHBDRM O=C([O-])c1ccc(CCNc2ccc([N+](=O)[O-])c(OC(F)F)c2)cc1 ZINC000833315521 600810531 /nfs/dbraw/zinc/81/05/31/600810531.db2.gz YCMKNFMITAKGRJ-UHFFFAOYSA-N -1 0 352.293 3.549 20 5 FHBDRM C[C@@H](CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-])Oc1ccc(F)cc1 ZINC000827512067 600822475 /nfs/dbraw/zinc/82/24/75/600822475.db2.gz GRXIQMOPWDMDDX-KBNZMGLGSA-N -1 0 360.341 3.711 20 5 FHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000738212924 600855340 /nfs/dbraw/zinc/85/53/40/600855340.db2.gz RIJCRQGTUOYSEO-LLVKDONJSA-N -1 0 372.402 3.535 20 5 FHBDRM O=C([O-])c1cc(NC(=O)c2cccc(-c3cscn3)c2)cc([N+](=O)[O-])c1 ZINC000833301013 600889724 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HVRMKGSIHQMXLK-AWEZNQCLSA-N -1 0 370.405 3.520 20 5 FHBDRM O=C([O-])[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1Cl ZINC000833352030 601078275 /nfs/dbraw/zinc/07/82/75/601078275.db2.gz XLBXLHORSWINQR-CYBMUJFWSA-N -1 0 370.144 3.884 20 5 FHBDRM CC[C@@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 ZINC000828951305 601130463 /nfs/dbraw/zinc/13/04/63/601130463.db2.gz JJHBTUPUGFBGAB-MRXNPFEDSA-N -1 0 372.381 3.635 20 5 FHBDRM C[C@@H]1CCCN1c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000828271668 601378438 /nfs/dbraw/zinc/37/84/38/601378438.db2.gz JPGNLAXWIKIIFC-GFCCVEGCSA-N -1 0 354.362 3.513 20 5 FHBDRM C[C@@H]1CCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000828302739 601380947 /nfs/dbraw/zinc/38/09/47/601380947.db2.gz IDYAEEKBBXPRDB-OLZOCXBDSA-N -1 0 368.389 3.759 20 5 FHBDRM O=C([O-])/C=C\c1ccc(NCc2c(F)c(F)cc(F)c2F)c([N+](=O)[O-])c1 ZINC000833197745 601383723 /nfs/dbraw/zinc/38/37/23/601383723.db2.gz UCVMVHPRRBXWJH-RQOWECAXSA-N -1 0 370.258 3.861 20 5 FHBDRM Cc1cc(NCc2cn3cc(Cl)ccc3n2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832898133 601545166 /nfs/dbraw/zinc/54/51/66/601545166.db2.gz BLSSZWIDBDNAAN-UHFFFAOYSA-N -1 0 360.757 3.515 20 5 FHBDRM Cc1ccc([C@H](CNC(=O)Nc2c(C)ccc([N+](=O)[O-])c2C)C(=O)[O-])cc1 ZINC000832923626 601588505 /nfs/dbraw/zinc/58/85/05/601588505.db2.gz NWXWMXKIRUHGOB-HNNXBMFYSA-N -1 0 371.393 3.510 20 5 FHBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000832957788 601588966 /nfs/dbraw/zinc/58/89/66/601588966.db2.gz LORMIGAIMYSBCI-AWEZNQCLSA-N -1 0 357.366 3.549 20 5 FHBDRM Cc1ccc(NC(=O)c2ccc(NCC(C)(C)C(=O)[O-])c([N+](=O)[O-])c2)cc1 ZINC000832948226 601680954 /nfs/dbraw/zinc/68/09/54/601680954.db2.gz WXAYKCFBJUBQHJ-UHFFFAOYSA-N -1 0 371.393 3.678 20 5 FHBDRM Cc1cc(F)cc(C(=O)Nc2cc(C(=O)[O-])ccc2Cl)c1[N+](=O)[O-] ZINC000832887670 601829516 /nfs/dbraw/zinc/82/95/16/601829516.db2.gz WBQWHNXYBCYYRK-UHFFFAOYSA-N -1 0 352.705 3.646 20 5 FHBDRM O=C([O-])NCc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)c1 ZINC000740681026 602204420 /nfs/dbraw/zinc/20/44/20/602204420.db2.gz ZBNGIZUUNGVDFC-UHFFFAOYSA-N -1 0 371.374 3.829 20 5 FHBDRM C[C@@H](CN(Cc1ccccc1)c1ccc([N+](=O)[O-])c2cnccc21)C(=O)[O-] ZINC000827455636 602237392 /nfs/dbraw/zinc/23/73/92/602237392.db2.gz NTOYLCDKNFYHHK-AWEZNQCLSA-N -1 0 365.389 3.870 20 5 FHBDRM CCCC[C@@H](Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1CC)C(=O)[O-] ZINC000829296119 602242184 /nfs/dbraw/zinc/24/21/84/602242184.db2.gz NUOOYSLCEDCKAW-CYBMUJFWSA-N -1 0 364.427 3.609 20 5 FHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CCc3[nH]c4ccccc4c3C2)cc1Cl ZINC000833308062 602250980 /nfs/dbraw/zinc/25/09/80/602250980.db2.gz WOTVEUMGZVZAQV-UHFFFAOYSA-N -1 0 371.780 3.990 20 5 FHBDRM COc1ccc([C@@H](C)Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)cc1OC ZINC000592969785 602313510 /nfs/dbraw/zinc/31/35/10/602313510.db2.gz GBZXQGBNPRNFJD-LLVKDONJSA-N -1 0 360.366 3.792 20 5 FHBDRM Cc1cc(N[C@H](C)c2ccc3c(c2)CCC(=O)N3)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897676 602314519 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MOTACLCRAOQWJX-SECBINFHSA-N -1 0 363.757 3.829 20 5 FHBDRM CC[C@@H](NC(=O)Nc1cccc(CNC(=O)[O-])c1)c1cccc([N+](=O)[O-])c1 ZINC000826612883 604140616 /nfs/dbraw/zinc/14/06/16/604140616.db2.gz CBSIHZGKEQWEIH-MRXNPFEDSA-N -1 0 372.381 3.635 20 5 FHBDRM C[C@@H](OC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000825578551 604154275 /nfs/dbraw/zinc/15/42/75/604154275.db2.gz CTGTUCKKYVTCGK-OKSWLAIDSA-N -1 0 362.382 3.510 20 5 FHBDRM Cc1cccc2nc(CNc3cc(Cl)c(C(=O)[O-])cc3[N+](=O)[O-])cn21 ZINC000832973903 604265958 /nfs/dbraw/zinc/26/59/58/604265958.db2.gz GZQQZEYEDGMJGL-UHFFFAOYSA-N -1 0 360.757 3.515 20 5 FHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H](CCO)c2ccccc2)cc1Cl ZINC000833308671 604270137 /nfs/dbraw/zinc/27/01/37/604270137.db2.gz YOSAQHFFSRDYNO-LBPRGKRZSA-N -1 0 364.785 3.525 20 5 FHBDRM C[C@H](C[C@@H](O)c1ccccc1)Nc1cc(Cl)c(C(=O)[O-])cc1[N+](=O)[O-] ZINC000827403539 604459667 /nfs/dbraw/zinc/45/96/67/604459667.db2.gz COEYEIWRSKWVGW-QLJPJBMISA-N -1 0 364.785 3.871 20 5 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CC(=O)N1CC[C@H](Nc2cc(C)c([N+](=O)[O-])c(C(=O)[O-])c2)c2ccccc21 ZINC000833394924 604635251 /nfs/dbraw/zinc/63/52/51/604635251.db2.gz UZOULVOTTQPFSP-INIZCTEOSA-N -1 0 369.377 3.511 20 5 FHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCCC[C@H]2CCCC[C@@H]2O)cc1Cl ZINC000833308413 604636378 /nfs/dbraw/zinc/63/63/78/604636378.db2.gz XBUIGNHTPRINSW-BMIGLBTASA-N -1 0 356.806 3.690 20 5 FHBDRM CN(C(=O)[O-])c1ccc(NCc2cc([N+](=O)[O-])ccc2OC(F)F)cc1 ZINC000830518891 604643182 /nfs/dbraw/zinc/64/31/82/604643182.db2.gz JPRKHFKIIOMRTG-UHFFFAOYSA-N -1 0 367.308 3.923 20 5 FHBDRM CC(C)(CNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)C(=O)[O-] ZINC000826602073 604705558 /nfs/dbraw/zinc/70/55/58/604705558.db2.gz KBOKVLBGMKETAC-UHFFFAOYSA-N -1 0 374.418 3.587 20 5 FHBDRM CN(Cc1cc([N+](=O)[O-])ccc1Cl)[C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000833694731 605048287 /nfs/dbraw/zinc/04/82/87/605048287.db2.gz ZATAYAKMULJIMD-HNNXBMFYSA-N -1 0 352.749 3.645 20 5 FHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1occc1C(=O)[O-] ZINC000833508225 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ZINC000738667960 599778844 /nfs/dbraw/zinc/77/88/44/599778844.db2.gz MTVIYKJJCDAALJ-GFCCVEGCSA-N -1 0 374.418 3.505 20 5 FHBDRM CNc1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737563105 599849805 /nfs/dbraw/zinc/84/98/05/599849805.db2.gz QOXITOOXRMMJDZ-UHFFFAOYSA-N -1 0 365.345 3.740 20 5 FHBDRM Cc1cc(C(=O)NCc2c3ccccc3sc2C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000619639401 599872702 /nfs/dbraw/zinc/87/27/02/599872702.db2.gz ARCXRIDJAGVCHE-UHFFFAOYSA-N -1 0 370.386 3.746 20 5 FHBDRM O=C([O-])CSCc1cccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)c1 ZINC000739874111 599923809 /nfs/dbraw/zinc/92/38/09/599923809.db2.gz WXSIWAJZAMUNNC-TWGQIWQCSA-N -1 0 372.402 3.565 20 5 FHBDRM CSc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000738210836 599935569 /nfs/dbraw/zinc/93/55/69/599935569.db2.gz BGKVSYBVXGBANC-HNNXBMFYSA-N -1 0 374.418 3.653 20 5 FHBDRM O=C([O-])CC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1 ZINC000193461570 599937876 /nfs/dbraw/zinc/93/78/76/599937876.db2.gz IEVKFZIUYOPMFU-HNNXBMFYSA-N -1 0 362.769 3.584 20 5 FHBDRM O=C([O-])CSCc1cccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)c1 ZINC000739871159 599987575 /nfs/dbraw/zinc/98/75/75/599987575.db2.gz KUPSWLUKNRRRGM-UHFFFAOYSA-N -1 0 361.379 3.557 20 5 FHBDRM O=C([O-])/C=C\c1ccc(N[C@@H]2CCOc3ccc(F)cc32)c([N+](=O)[O-])c1 ZINC000739625201 600075811 /nfs/dbraw/zinc/07/58/11/600075811.db2.gz NNVJRYYKDMFCCH-OKEUPSHZSA-N -1 0 358.325 3.767 20 5 FHBDRM CC(C)Oc1ccc([N+](=O)[O-])cc1CN1Cc2ccc(C(=O)[O-])cc2C1 ZINC000736495308 600089194 /nfs/dbraw/zinc/08/91/94/600089194.db2.gz WMTKKBVYTFVANA-UHFFFAOYSA-N -1 0 356.378 3.596 20 5 FHBDRM O=C([O-])Nc1cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)ccc1F ZINC000740007145 600123456 /nfs/dbraw/zinc/12/34/56/600123456.db2.gz IIWKAQHXQWOFEN-UHFFFAOYSA-N -1 0 358.285 3.557 20 5 FHBDRM Cc1c(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)sc2nccc(C)c12 ZINC000738797485 600187838 /nfs/dbraw/zinc/18/78/38/600187838.db2.gz AHZYIRNPXKXNPY-UHFFFAOYSA-N -1 0 371.374 3.772 20 5 FHBDRM 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600381968 /nfs/dbraw/zinc/38/19/68/600381968.db2.gz XWIMVBMVWAASHC-UHFFFAOYSA-N -1 0 369.160 3.781 20 5 FHBDRM CC[C@H](C(=O)[O-])N(C(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000736848035 600389174 /nfs/dbraw/zinc/38/91/74/600389174.db2.gz LOFUMLGUASKZTH-JIIJFUIFSA-N -1 0 354.362 3.504 20 5 FHBDRM O=C([O-])[C@@H](CNc1ccc2ncccc2c1[N+](=O)[O-])Cc1cccc(F)c1 ZINC000739503540 600433510 /nfs/dbraw/zinc/43/35/10/600433510.db2.gz SUHOKTLWZDPLMD-CYBMUJFWSA-N -1 0 369.352 3.638 20 5 FHBDRM O=C([O-])c1cc(OCc2csc(Cc3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000740088748 600445481 /nfs/dbraw/zinc/44/54/81/600445481.db2.gz XMCUIZRFPKGYRS-UHFFFAOYSA-N -1 0 370.386 3.919 20 5 FHBDRM O=C([O-])c1cc(Oc2ccc3ncccc3c2[N+](=O)[O-])ccc1[N+](=O)[O-] ZINC000740087822 600462053 /nfs/dbraw/zinc/46/20/53/600462053.db2.gz PUUHMAQQNZUKSG-UHFFFAOYSA-N -1 0 355.262 3.542 20 5 FHBDRM CC(C)[C@H](c1ccccc1)N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236719117 600535200 /nfs/dbraw/zinc/53/52/00/600535200.db2.gz RERPCFBKSXWNPS-QGZVFWFLSA-N -1 0 356.378 3.762 20 5 FHBDRM CCSCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000737231787 600544735 /nfs/dbraw/zinc/54/47/35/600544735.db2.gz SNIJEYQYPBREFR-UHFFFAOYSA-N -1 0 360.391 3.798 20 5 FHBDRM Cc1c(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)cccc1C(=O)[O-] ZINC000738304361 600624636 /nfs/dbraw/zinc/62/46/36/600624636.db2.gz PDZBDNYRYSLQCZ-UHFFFAOYSA-N -1 0 371.393 3.746 20 5 FHBDRM CCC(CC)(C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1ccccc1 ZINC000828770625 600786593 /nfs/dbraw/zinc/78/65/93/600786593.db2.gz TYXFMWOPSJGRKE-UHFFFAOYSA-N -1 0 356.378 3.990 20 5 FHBDRM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)ccc1[N+](=O)[O-] ZINC000776672434 600801276 /nfs/dbraw/zinc/80/12/76/600801276.db2.gz FZPINCLEYIWTOZ-AWEZNQCLSA-N -1 0 362.769 3.502 20 5 FHBDRM CC1(C)CCN(c2ccc(C(=O)c3ccccc3C(=O)[O-])cc2[N+](=O)[O-])C1 ZINC000828069394 600825203 /nfs/dbraw/zinc/82/52/03/600825203.db2.gz XQYRJGGGHUMSAZ-UHFFFAOYSA-N -1 0 368.389 3.760 20 5 FHBDRM Cc1ccc([N+](=O)[O-])c(OCCOc2ccc(C(=O)[O-])cc2Cl)c1 ZINC000832957440 600835279 /nfs/dbraw/zinc/83/52/79/600835279.db2.gz INLDFANPQKACHG-UHFFFAOYSA-N -1 0 351.742 3.713 20 5 FHBDRM Cc1ccc(OCCOc2ccc(C(=O)[O-])cc2Cl)c([N+](=O)[O-])c1 ZINC000832951399 600835506 /nfs/dbraw/zinc/83/55/06/600835506.db2.gz JSSIGHZNVOXGSG-UHFFFAOYSA-N -1 0 351.742 3.713 20 5 FHBDRM O=C([O-])Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000833290138 600862825 /nfs/dbraw/zinc/86/28/25/600862825.db2.gz NUSJBAUGRGDHFV-UHFFFAOYSA-N -1 0 369.255 3.956 20 5 FHBDRM Cc1ccc([C@@H]2CCCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000237901010 600865741 /nfs/dbraw/zinc/86/57/41/600865741.db2.gz PYOIPGLSBWDMNQ-SFHVURJKSA-N -1 0 368.389 3.969 20 5 FHBDRM COc1ccc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])cc1OC ZINC000738008165 600942558 /nfs/dbraw/zinc/94/25/58/600942558.db2.gz HJNNEUGEYYTTCC-UHFFFAOYSA-N -1 0 366.757 3.576 20 5 FHBDRM O=C([O-])c1cc([N+](=O)[O-])c(N2CC[C@H](Nc3ccccc3)C2)cc1Cl ZINC000740089271 600943950 /nfs/dbraw/zinc/94/39/50/600943950.db2.gz CMCUTYVBFRIBQJ-LBPRGKRZSA-N -1 0 361.785 3.637 20 5 FHBDRM Cc1cc(COC(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c2ccccc2n1 ZINC000832885081 600947093 /nfs/dbraw/zinc/94/70/93/600947093.db2.gz IVKNJMKAUYHASD-UHFFFAOYSA-N -1 0 366.329 3.507 20 5 FHBDRM CC(C)Nc1ccc(F)cc1NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000236755545 600979855 /nfs/dbraw/zinc/97/98/55/600979855.db2.gz WRCWNSCLVUSOFY-UHFFFAOYSA-N -1 0 361.329 3.505 20 5 FHBDRM COc1ccc(OCCSCc2ccc(C(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000738048349 600984300 /nfs/dbraw/zinc/98/43/00/600984300.db2.gz CUGDNNRTKLEOGE-UHFFFAOYSA-N -1 0 363.391 3.614 20 5 FHBDRM O=C([O-])/C=C/c1ccc(NCCc2nc3ccccc3s2)c([N+](=O)[O-])c1 ZINC000746994916 600985793 /nfs/dbraw/zinc/98/57/93/600985793.db2.gz WTFOTGDQRRDAOB-SOFGYWHQSA-N -1 0 369.402 3.957 20 5 FHBDRM Cc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])c1 ZINC000738665211 601004398 /nfs/dbraw/zinc/00/43/98/601004398.db2.gz XOZLCTJNKGBUFD-UHFFFAOYSA-N -1 0 368.267 3.873 20 5 FHBDRM CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000237010606 601044628 /nfs/dbraw/zinc/04/46/28/601044628.db2.gz WYDJRFSEBUXCGT-KRWDZBQOSA-N -1 0 370.405 3.695 20 5 FHBDRM C[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)[C@@H]1c1cccc(F)c1 ZINC000237375163 601107870 /nfs/dbraw/zinc/10/78/70/601107870.db2.gz YFOPYEZSBZKASM-DIFFPNOSSA-N -1 0 372.352 3.655 20 5 FHBDRM O=C([O-])[C@H]1CCC[C@H](C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)C1 ZINC000833186566 601155904 /nfs/dbraw/zinc/15/59/04/601155904.db2.gz SMVBSKUGOMPMCV-KBPBESRZSA-N -1 0 360.410 3.761 20 5 FHBDRM C[C@H]1[C@@H](c2ccccc2)CCN1c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000828151752 601255411 /nfs/dbraw/zinc/25/54/11/601255411.db2.gz ZYBHFIPVPVBEFX-FZMZJTMJSA-N -1 0 371.349 3.584 20 5 FHBDRM CC[C@@H](C(=O)[O-])N(C(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccccc1 ZINC000828594570 601447627 /nfs/dbraw/zinc/44/76/27/601447627.db2.gz DLNSXPBMTPGMRK-AWEZNQCLSA-N -1 0 362.769 3.758 20 5 FHBDRM 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356.378 3.991 20 5 FHBDRM CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)OCc1ccc(C(=O)[O-])o1 ZINC000833507869 605077544 /nfs/dbraw/zinc/07/75/44/605077544.db2.gz ACVGNAFESQRAPJ-UHFFFAOYSA-N -1 0 365.363 3.744 20 5 FHBDRM C[C@@H](NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)c1ccccc1[N+](=O)[O-] ZINC000833522226 605124182 /nfs/dbraw/zinc/12/41/82/605124182.db2.gz ZLBRKYNPUVJRPN-GFCCVEGCSA-N -1 0 371.393 3.840 20 5 FHBDRM C/C(=C\C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000833383526 605343107 /nfs/dbraw/zinc/34/31/07/605343107.db2.gz UQNWKBJBLZCSPL-JKGDOXCYSA-N -1 0 368.389 3.720 20 5 FHBDRM C/C(=C/C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833383421 605354242 /nfs/dbraw/zinc/35/42/42/605354242.db2.gz SZDSMAANBAVESU-IJRZETMFSA-N -1 0 368.389 3.576 20 5 FHBDRM CC(=CC(=O)Nc1ccc(NC(=O)[O-])c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000833383415 605369381 /nfs/dbraw/zinc/36/93/81/605369381.db2.gz SWRGMLQSVDYBDI-NTMALXAHSA-N -1 0 359.313 3.866 20 5 FHBDRM 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FHBDRM O=C([O-])c1cc(-c2nc(Cc3cccc(Cl)c3)no2)cc([N+](=O)[O-])c1 ZINC000738670184 600110390 /nfs/dbraw/zinc/11/03/90/600110390.db2.gz VEOCESGPVJEIOJ-UHFFFAOYSA-N -1 0 359.725 3.587 20 5 FHBDRM Cc1cccc(C2(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)CCC2)c1 ZINC000738687019 600189967 /nfs/dbraw/zinc/18/99/67/600189967.db2.gz BGMMZIDIYQDVAA-UHFFFAOYSA-N -1 0 354.362 3.662 20 5 FHBDRM O=C([O-])c1cc(Cl)cc(NC(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)c1 ZINC000740071895 600203404 /nfs/dbraw/zinc/20/34/04/600203404.db2.gz GLUAAYLNEWRFHH-UHFFFAOYSA-N -1 0 359.725 3.680 20 5 FHBDRM CN(Cc1ccc(Nc2ccc3ncccc3c2[N+](=O)[O-])cc1)C(=O)[O-] ZINC000737486719 600312986 /nfs/dbraw/zinc/31/29/86/600312986.db2.gz VIIFBAUAVHMLOS-UHFFFAOYSA-N -1 0 352.350 3.996 20 5 FHBDRM O=C([O-])c1ccc(Cl)cc1OC(=O)c1cc(Cl)cc([N+](=O)[O-])c1 ZINC000740296216 600353034 /nfs/dbraw/zinc/35/30/34/600353034.db2.gz HZUUOSIAAFPNGT-UHFFFAOYSA-N -1 0 356.117 3.819 20 5 FHBDRM Cc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)o1 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AAVMSFNCHQCUHJ-UHFFFAOYSA-N -1 0 374.780 3.848 20 5 FHBDRM O=C([O-])c1cccc(-c2noc(-c3ccc(NC4CC4)c([N+](=O)[O-])c3)n2)c1 ZINC000833326122 600699497 /nfs/dbraw/zinc/69/94/97/600699497.db2.gz FVFKWUPRTOGEGO-UHFFFAOYSA-N -1 0 366.333 3.584 20 5 FHBDRM CCc1[nH]c(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])c(C)c1C(=O)[O-] ZINC000830202595 600868465 /nfs/dbraw/zinc/86/84/65/600868465.db2.gz NJVCDZGTCXICKY-UHFFFAOYSA-N -1 0 366.757 3.502 20 5 FHBDRM O=C([O-])Nc1cccc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])c1 ZINC000833291575 600868881 /nfs/dbraw/zinc/86/88/81/600868881.db2.gz MFIOYRZWTFLMED-UHFFFAOYSA-N -1 0 350.714 3.695 20 5 FHBDRM CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000829009999 600889167 /nfs/dbraw/zinc/88/91/67/600889167.db2.gz YIJNIPNAXMARDK-XZJROXQQSA-N -1 0 364.398 3.605 20 5 FHBDRM CN(C(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1C(=O)[O-] ZINC000830529043 600968740 /nfs/dbraw/zinc/96/87/40/600968740.db2.gz XZUJDTPTQWUQIB-UHFFFAOYSA-N -1 0 368.267 3.588 20 5 FHBDRM O=C([O-])c1cc(OCc2ncc(-c3ccccc3F)o2)ccc1[N+](=O)[O-] ZINC000740088736 600985780 /nfs/dbraw/zinc/98/57/80/600985780.db2.gz XERMHVYGZMLLNZ-UHFFFAOYSA-N -1 0 358.281 3.666 20 5 FHBDRM O=C([O-])c1cc(C(=O)NC2CC(c3cccc(Cl)c3)C2)cc([N+](=O)[O-])c1 ZINC000740067158 601066128 /nfs/dbraw/zinc/06/61/28/601066128.db2.gz OUOZAHJNPSJLSR-UHFFFAOYSA-N -1 0 374.780 3.622 20 5 FHBDRM C[C@@H]1[C@@H](c2ccccc2)CCN1c1c(C(=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000828151753 601255228 /nfs/dbraw/zinc/25/52/28/601255228.db2.gz ZYBHFIPVPVBEFX-RISCZKNCSA-N -1 0 371.349 3.584 20 5 FHBDRM CC[C@@H](N[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)c1cccc([N+](=O)[O-])c1 ZINC000828982381 601380301 /nfs/dbraw/zinc/38/03/01/601380301.db2.gz CSVFBXHMIRUCAB-IUODEOHRSA-N -1 0 373.409 3.550 20 5 FHBDRM O=C([O-])/C=C/c1ccc(NCc2c(F)c(F)cc(F)c2F)c([N+](=O)[O-])c1 ZINC000833197744 601383785 /nfs/dbraw/zinc/38/37/85/601383785.db2.gz UCVMVHPRRBXWJH-DUXPYHPUSA-N -1 0 370.258 3.861 20 5 FHBDRM 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358.394 3.640 20 5 FHBDRM Cc1c(NC(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)cccc1[N+](=O)[O-] ZINC000738306565 600334922 /nfs/dbraw/zinc/33/49/22/600334922.db2.gz SSSONXFGMPNHTA-UHFFFAOYSA-N -1 0 358.354 3.657 20 5 FHBDRM CC(C)(C(=O)Nc1ccc(CCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000736231035 600526289 /nfs/dbraw/zinc/52/62/89/600526289.db2.gz YDVHQLZXVDHEAP-UHFFFAOYSA-N -1 0 356.378 3.528 20 5 FHBDRM CC(C)(C)[C@H](NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)C(=O)[O-] ZINC000736243940 600535522 /nfs/dbraw/zinc/53/55/22/600535522.db2.gz MQBKAXPHVXWUKL-MRXNPFEDSA-N -1 0 371.393 3.568 20 5 FHBDRM Cc1oc(-c2cccs2)nc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738955618 600541295 /nfs/dbraw/zinc/54/12/95/600541295.db2.gz KGGJUGXCTZOIPF-UHFFFAOYSA-N -1 0 373.346 3.570 20 5 FHBDRM C[C@@H](SCc1ccccc1)C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736709755 600542255 /nfs/dbraw/zinc/54/22/55/600542255.db2.gz VSSDBWAMCWFFRU-LLVKDONJSA-N -1 0 360.391 3.553 20 5 FHBDRM 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ZINC000832895826 601713626 /nfs/dbraw/zinc/71/36/26/601713626.db2.gz SIPVWFCFWRDGGH-LBPRGKRZSA-N -1 0 357.366 3.793 20 5 FHBDRM O=C([O-])/C=C\c1ccc(Oc2ccc(Br)nc2)c([N+](=O)[O-])c1 ZINC000833197318 601931275 /nfs/dbraw/zinc/93/12/75/601931275.db2.gz OMNDAENGAQNWEN-KXFIGUGUSA-N -1 0 365.139 3.642 20 5 FHBDRM CC(C)(C(=O)[O-])[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000826103717 602234127 /nfs/dbraw/zinc/23/41/27/602234127.db2.gz UZAOMMSGJVMIMP-OAHLLOKOSA-N -1 0 357.366 3.568 20 5 FHBDRM Cc1cc(N2CCc3[nH]c4ccc(F)cc4c3C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832891925 602313875 /nfs/dbraw/zinc/31/38/75/602313875.db2.gz KVJCHFLQKXMXGF-UHFFFAOYSA-N -1 0 369.352 3.785 20 5 FHBDRM Cc1cc(N2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000575185082 602320042 /nfs/dbraw/zinc/32/00/42/602320042.db2.gz MNQHQTYARBAZPL-SJKOYZFVSA-N -1 0 374.368 3.707 20 5 FHBDRM Cc1cc(N[C@@H](C)c2ccc(-n3cccn3)cc2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896597 602321203 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SHICAKKTXSHNRT-SECBINFHSA-N -1 0 362.317 3.707 20 5 FHBDRM CN(C(=O)[O-])c1ccc(OC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000827914561 603046483 /nfs/dbraw/zinc/04/64/83/603046483.db2.gz ZKQXJYBYBFLPHV-UHFFFAOYSA-N -1 0 356.290 3.674 20 5 FHBDRM C[C@@H](NC(=O)[O-])c1ccc(NC(=O)c2c[nH]c3ccc([N+](=O)[O-])cc23)cc1 ZINC000825442350 603191450 /nfs/dbraw/zinc/19/14/50/603191450.db2.gz DVDKFTZHAQDUJM-SNVBAGLBSA-N -1 0 368.349 3.657 20 5 FHBDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)/C=C\c2ccc([N+](=O)[O-])cc2)cc1 ZINC000825416082 603192663 /nfs/dbraw/zinc/19/26/63/603192663.db2.gz JLUIPCCAIASZMZ-MCWZUMHDSA-N -1 0 355.350 3.575 20 5 FHBDRM O=C([O-])Nc1cc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)ccc1F ZINC000832820533 603924389 /nfs/dbraw/zinc/92/43/89/603924389.db2.gz FLZQYXYOQWACPG-UHFFFAOYSA-N -1 0 370.296 3.624 20 5 FHBDRM O=C([O-])N[C@@H]1CC[C@@H](C(=O)OCc2nc3ccccc3c3ccccc23)C1 ZINC000832308254 604049395 /nfs/dbraw/zinc/04/93/95/604049395.db2.gz XMYUKZXMSLFJHV-ZIAGYGMSSA-N -1 0 364.401 3.868 20 5 FHBDRM 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DCSVEWGOAXEWKK-UHFFFAOYSA-N -1 0 366.342 3.562 20 5 FHBDRM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2cccc3ccn(C)c32)cc1C ZINC000471578613 930692973 /nfs/dbraw/zinc/69/29/73/930692973.db2.gz RAJMZMOBOOQMIT-UHFFFAOYSA-N -1 0 359.407 3.504 20 5 FHBDRM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Oc2ccncc2)cc1 ZINC000050534569 931234204 /nfs/dbraw/zinc/23/42/04/931234204.db2.gz GOSGAABMYLLOGE-UHFFFAOYSA-N -1 0 371.374 3.583 20 5 FHBDRM O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160749786 931528456 /nfs/dbraw/zinc/52/84/56/931528456.db2.gz STCPMNDJFPXZNG-UHFFFAOYSA-N -1 0 361.404 3.756 20 5 FHBDRM O=C([O-])c1ccnc(N2CCC[C@@H](c3ccc(F)cc3)CC2)c1[N+](=O)[O-] ZINC000581313843 931815977 /nfs/dbraw/zinc/81/59/77/931815977.db2.gz UDBIEITUSRYZPT-GFCCVEGCSA-N -1 0 359.357 3.601 20 5 FHBDRM CCC(=O)c1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 ZINC000135392959 933445554 /nfs/dbraw/zinc/44/55/54/933445554.db2.gz BDTWZDQCUYAGRE-UHFFFAOYSA-N -1 0 368.798 3.642 20 5 FHBDRM 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ZINC000365342362 940125760 /nfs/dbraw/zinc/12/57/60/940125760.db2.gz FCLHBKQXWXSFAT-UHFFFAOYSA-N -1 0 367.317 3.509 20 5 FHBDRM CC(C)Oc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000180033696 940296903 /nfs/dbraw/zinc/29/69/03/940296903.db2.gz LNEGXKNPWSICCX-UHFFFAOYSA-N -1 0 350.758 3.993 20 5 FHBDRM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cccc2ccccc21 ZINC000581445183 940503939 /nfs/dbraw/zinc/50/39/39/940503939.db2.gz QEIUMSQOJOLHEC-GFCCVEGCSA-N -1 0 374.393 3.927 20 5 FHBDRM COc1ccc(S(=O)(=O)Nc2cc(C)c(F)cc2Cl)c([N+](=O)[O-])c1 ZINC000507562912 945333329 /nfs/dbraw/zinc/33/33/29/945333329.db2.gz GHTUVYNOLNYKKB-UHFFFAOYSA-N -1 0 374.777 3.505 20 5 FHBDRM CO[C@H](C)c1cccc([N-]S(=O)(=O)c2c(C)ccc(C)c2[N+](=O)[O-])c1 ZINC000189281905 941156740 /nfs/dbraw/zinc/15/67/40/941156740.db2.gz YFKLAWKWGNAWCC-CYBMUJFWSA-N -1 0 364.423 3.720 20 5 FHBDRM Cc1sc(S(=O)(=O)[N-]c2ccccc2OC(C)C)cc1[N+](=O)[O-] ZINC000119018086 941863363 /nfs/dbraw/zinc/86/33/63/941863363.db2.gz 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FHBDRM Cc1ccc(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cc1[N+](=O)[O-] ZINC000740139722 602453684 /nfs/dbraw/zinc/45/36/84/602453684.db2.gz YMECBSAAMTXKGF-HNNXBMFYSA-N -1 0 357.366 3.631 20 5 FHBDRM Cc1c(NC(=O)CC[C@H](NC(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC000740048478 602454295 /nfs/dbraw/zinc/45/42/95/602454295.db2.gz ITZKTZNDAVTCOB-HNNXBMFYSA-N -1 0 357.366 3.631 20 5 FHBDRM O=C([O-])Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])c(C(F)(F)F)c1 ZINC000204550637 602644223 /nfs/dbraw/zinc/64/42/23/602644223.db2.gz ANUHEISPGHZWSR-UHFFFAOYSA-N -1 0 369.255 3.956 20 5 FHBDRM CC(C)(C(=O)Nc1cc(NC(=O)[O-])ccc1F)c1ccc([N+](=O)[O-])cc1 ZINC000738661939 603039913 /nfs/dbraw/zinc/03/99/13/603039913.db2.gz MQRRWWFWLPKQCX-UHFFFAOYSA-N -1 0 361.329 3.740 20 5 FHBDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1 ZINC000825442807 603192070 /nfs/dbraw/zinc/19/20/70/603192070.db2.gz QLKCFUSHGCPYNK-JTQLQIEISA-N -1 0 368.349 3.657 20 5 FHBDRM C[C@@H]1CN(C(=O)[O-])c2ccccc2N1C(=S)Nc1ccc([N+](=O)[O-])cc1 ZINC000826026615 603247116 /nfs/dbraw/zinc/24/71/16/603247116.db2.gz MOYKUXIUSSHMDB-LLVKDONJSA-N -1 0 372.406 3.685 20 5 FHBDRM Cc1ccc(NC(=O)[C@H](NC(=O)[O-])c2cccc(Cl)c2)cc1[N+](=O)[O-] ZINC000740136841 603262802 /nfs/dbraw/zinc/26/28/02/603262802.db2.gz TXZICFRPAKTFED-CQSZACIVSA-N -1 0 363.757 3.504 20 5 FHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Oc1cccc(NC(=O)[O-])c1 ZINC000825624182 603481367 /nfs/dbraw/zinc/48/13/67/603481367.db2.gz VCGKTXPJFZMALE-SNVBAGLBSA-N -1 0 362.363 3.771 20 5 FHBDRM CCc1ccc(C(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)cc1[N+](=O)[O-] ZINC000827577888 603922047 /nfs/dbraw/zinc/92/20/47/603922047.db2.gz SGFSGHZRPVSLEX-UHFFFAOYSA-N -1 0 359.338 3.508 20 5 FHBDRM Cc1ccc(C(=O)Nc2ccc3cc([N+](=O)[O-])ccc3n2)cc1NC(=O)[O-] ZINC000830230772 603923580 /nfs/dbraw/zinc/92/35/80/603923580.db2.gz PUFRMXBAKRYHGZ-UHFFFAOYSA-N -1 0 366.333 3.794 20 5 FHBDRM CCc1nc(CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])cs1 ZINC000830313398 604263391 /nfs/dbraw/zinc/26/33/91/604263391.db2.gz 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COc1cc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc([N+](=O)[O-])c1[O-] ZINC000436653680 568253685 /nfs/dbraw/zinc/25/36/85/568253685.db2.gz CDLCVYVNQSLLLU-UHFFFAOYSA-N -1 0 353.256 3.871 20 5 FHBDRM O=C(c1ccc([O-])c([N+](=O)[O-])c1)N1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000436664092 568260491 /nfs/dbraw/zinc/26/04/91/568260491.db2.gz KRIPUFFEYBMVQK-QGZVFWFLSA-N -1 0 364.760 3.665 20 5 FHBDRM CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H]1CCc2ccccc2C1 ZINC000436670765 568262761 /nfs/dbraw/zinc/26/27/61/568262761.db2.gz HHGWUGBERDONLT-INIZCTEOSA-N -1 0 354.406 3.710 20 5 FHBDRM Cc1ccc(Cc2ccccn2)cc1NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436683845 568279438 /nfs/dbraw/zinc/27/94/38/568279438.db2.gz WMQWNPBSTYGACQ-UHFFFAOYSA-N -1 0 363.373 3.847 20 5 FHBDRM Cc1cc(Br)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000436675806 568283812 /nfs/dbraw/zinc/28/38/12/568283812.db2.gz YBDMUDVNOXDYTF-UHFFFAOYSA-N -1 0 351.156 3.624 20 5 FHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC(c2c(F)cccc2F)CC1 ZINC000436678672 568290784 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3.611 20 5 FHBDRM COc1ccc(-c2ccc(/C=C(/C(=O)[O-])c3ccncc3)o2)c([N+](=O)[O-])c1 ZINC000737909517 599831064 /nfs/dbraw/zinc/83/10/64/599831064.db2.gz JTRVCUIVDRSQQB-MHWRWJLKSA-N -1 0 366.329 3.884 20 5 FHBDRM CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc([N+](=O)[O-])ccc2C)cc1 ZINC000537401792 599845023 /nfs/dbraw/zinc/84/50/23/599845023.db2.gz AANXGAZPNNSKNW-MRXNPFEDSA-N -1 0 374.418 3.571 20 5 FHBDRM C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000736712546 599846251 /nfs/dbraw/zinc/84/62/51/599846251.db2.gz OHYMRYXPIHMPIE-VIFPVBQESA-N -1 0 364.354 3.551 20 5 FHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 ZINC000538503610 599849198 /nfs/dbraw/zinc/84/91/98/599849198.db2.gz AAOSZMUSLRJDFS-HNNXBMFYSA-N -1 0 374.418 3.571 20 5 FHBDRM COc1ccc(C(=O)[O-])c(OCc2cc([N+](=O)[O-])ccc2OC(C)C)c1 ZINC000737949200 599856058 /nfs/dbraw/zinc/85/60/58/599856058.db2.gz SZWIYKNBIJLHBL-UHFFFAOYSA-N -1 0 361.350 3.668 20 5 FHBDRM Cc1ccc2c(c1C)OC[C@H]2Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738674906 599873528 /nfs/dbraw/zinc/87/35/28/599873528.db2.gz IBVPJTXOOZCXRI-CDVVCGDMSA-N -1 0 354.362 3.855 20 5 FHBDRM CCN(CCC(=O)[O-])C(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1 ZINC000737095114 599914525 /nfs/dbraw/zinc/91/45/25/599914525.db2.gz SMQRHUBOLVADRH-UHFFFAOYSA-N -1 0 374.418 3.683 20 5 FHBDRM Cc1ccc([C@H](CNc2nc3ccc([N+](=O)[O-])cc3s2)C(=O)[O-])cc1 ZINC000738569002 599922829 /nfs/dbraw/zinc/92/28/29/599922829.db2.gz PACLZTXIJVDHIO-ZDUSSCGKSA-N -1 0 357.391 3.793 20 5 FHBDRM O=C([O-])c1sc2ccccc2c1COC(=O)c1cccc([N+](=O)[O-])c1 ZINC000740291181 599944352 /nfs/dbraw/zinc/94/43/52/599944352.db2.gz RJCIBIXSGIAQSU-UHFFFAOYSA-N -1 0 357.343 3.865 20 5 FHBDRM O=C([O-])c1cc2ccccc2cc1NC(=O)c1cc(F)cc([N+](=O)[O-])c1 ZINC000739462258 599997098 /nfs/dbraw/zinc/99/70/98/599997098.db2.gz HHBMXNLUTLKLCY-UHFFFAOYSA-N -1 0 354.293 3.838 20 5 FHBDRM Cc1csc(CCCCNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])n1 ZINC000738815268 600023502 /nfs/dbraw/zinc/02/35/02/600023502.db2.gz GHHMFMRAUMOSTG-VURMDHGXSA-N -1 0 361.423 3.892 20 5 FHBDRM C[C@H](NC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1cc2ccccc2s1 ZINC000736652224 600149533 /nfs/dbraw/zinc/14/95/33/600149533.db2.gz BLMVKYQJNQQDDK-JTQLQIEISA-N -1 0 370.386 3.999 20 5 FHBDRM O=C([O-])c1ccccc1C(=O)c1ccc(NCc2ccco2)c([N+](=O)[O-])c1 ZINC000740238888 600177961 /nfs/dbraw/zinc/17/79/61/600177961.db2.gz BBTZPPFQWTYYTD-UHFFFAOYSA-N -1 0 366.329 3.729 20 5 FHBDRM CCN(C(=O)c1ccc(SC)c([N+](=O)[O-])c1)c1ccccc1C(=O)[O-] ZINC000737059707 600178735 /nfs/dbraw/zinc/17/87/35/600178735.db2.gz SPDBCVCKXSAKLX-UHFFFAOYSA-N -1 0 360.391 3.682 20 5 FHBDRM O=C([O-])c1cc(NC(=O)c2ccc(-c3ccccc3)[nH]2)cc([N+](=O)[O-])c1 ZINC000740090906 600191683 /nfs/dbraw/zinc/19/16/83/600191683.db2.gz ZKHCMDUJUDXSIN-UHFFFAOYSA-N -1 0 351.318 3.540 20 5 FHBDRM O=C([O-])/C=C/c1ccc(N[C@@H]2C[C@@H]2c2c(F)cccc2F)c([N+](=O)[O-])c1 ZINC000739624455 600215323 /nfs/dbraw/zinc/21/53/23/600215323.db2.gz JUVNTLJIMFJJBT-RPZXQHFASA-N -1 0 360.316 3.939 20 5 FHBDRM CC(C)(C)c1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1[N+](=O)[O-] ZINC000192955097 600226974 /nfs/dbraw/zinc/22/69/74/600226974.db2.gz CLCCPGZZYXLADE-CQSZACIVSA-N -1 0 368.389 3.721 20 5 FHBDRM CN(CC1CCC1)c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000737410548 600240671 /nfs/dbraw/zinc/24/06/71/600240671.db2.gz VTTXJRBHJPUWRC-UHFFFAOYSA-N -1 0 368.389 3.760 20 5 FHBDRM CN(Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1)C(=O)[O-] ZINC000737485426 600283854 /nfs/dbraw/zinc/28/38/54/600283854.db2.gz MZQXRYWYTLMBTH-UHFFFAOYSA-N -1 0 363.757 3.610 20 5 FHBDRM O=C([O-])[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)c1 ZINC000740300984 600321928 /nfs/dbraw/zinc/32/19/28/600321928.db2.gz YUAQRAWAFDVIDN-CYBMUJFWSA-N -1 0 370.144 3.884 20 5 FHBDRM CCOC(=O)Cc1cccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000737142620 600365184 /nfs/dbraw/zinc/36/51/84/600365184.db2.gz IYZZQWIETBRLFK-VQHVLOKHSA-N -1 0 370.361 3.542 20 5 FHBDRM O=C([O-])Nc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2Cl)ccc1F ZINC000740005677 600383873 /nfs/dbraw/zinc/38/38/73/600383873.db2.gz ORPBRENRONCZNR-UHFFFAOYSA-N -1 0 367.720 3.658 20 5 FHBDRM CC[C@@H](C)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)cc1 ZINC000736892571 600442418 /nfs/dbraw/zinc/44/24/18/600442418.db2.gz WAGPPTDEFCVQJS-GFCCVEGCSA-N -1 0 372.377 3.824 20 5 FHBDRM O=C([O-])c1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1Cl ZINC000238121397 600487134 /nfs/dbraw/zinc/48/71/34/600487134.db2.gz KBLMZDDHAZNIIN-UHFFFAOYSA-N -1 0 355.133 3.852 20 5 FHBDRM CC(C)COc1cccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000736449024 600539908 /nfs/dbraw/zinc/53/99/08/600539908.db2.gz VORDUHSLFDLVPN-UHFFFAOYSA-N -1 0 358.350 3.580 20 5 FHBDRM CCCCOc1ccc(C(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1 ZINC000736999936 600543446 /nfs/dbraw/zinc/54/34/46/600543446.db2.gz NTMXSSKTTPIHLD-UHFFFAOYSA-N -1 0 358.350 3.724 20 5 FHBDRM O=C([O-])c1cc(NC(=O)CCSc2ccccc2F)cc([N+](=O)[O-])c1 ZINC000739251093 600544901 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GLOPNDWRGBPRMA-UHFFFAOYSA-N -1 0 355.705 3.543 20 5 FHBDRM Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Cl)c1 ZINC000776672308 600803751 /nfs/dbraw/zinc/80/37/51/600803751.db2.gz IQQIVPSTGKYLEY-HNNXBMFYSA-N -1 0 362.769 3.502 20 5 FHBDRM COc1ccc(O[C@H](C)CNc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000832431981 600823040 /nfs/dbraw/zinc/82/30/40/600823040.db2.gz WQMVHCMAWNKFOS-JTMRULEUSA-N -1 0 372.377 3.581 20 5 FHBDRM O=C([O-])[C@H]1CCCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC000262182847 600823717 /nfs/dbraw/zinc/82/37/17/600823717.db2.gz WZZPBEZTWKNRAI-ZETCQYMHSA-N -1 0 352.696 3.568 20 5 FHBDRM O=C([O-])Nc1ccc(OC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 ZINC000833290421 600862856 /nfs/dbraw/zinc/86/28/56/600862856.db2.gz PJKCIOOIYVIMMU-UHFFFAOYSA-N -1 0 370.239 3.923 20 5 FHBDRM O=C([O-])Nc1ccc(C(=O)OCc2cc(Cl)ccc2[N+](=O)[O-])cc1 ZINC000833283230 600868912 /nfs/dbraw/zinc/86/89/12/600868912.db2.gz CFUBOCHCLLICMF-UHFFFAOYSA-N -1 0 350.714 3.695 20 5 FHBDRM CSc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000540706959 600879391 /nfs/dbraw/zinc/87/93/91/600879391.db2.gz SILWGDGFIKGELO-UHFFFAOYSA-N -1 0 374.418 3.931 20 5 FHBDRM CCOc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000262493542 600882808 /nfs/dbraw/zinc/88/28/08/600882808.db2.gz MIPJVRGOKSGKEU-UHFFFAOYSA-N -1 0 372.377 3.608 20 5 FHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NC[C@H](O)c2ccc(Cl)cc2)cc1Cl ZINC000740095649 600943022 /nfs/dbraw/zinc/94/30/22/600943022.db2.gz LDKONAFSYYXXKG-AWEZNQCLSA-N -1 0 371.176 3.745 20 5 FHBDRM O=C([O-])C1(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CCCCCC1 ZINC000833128737 600969937 /nfs/dbraw/zinc/96/99/37/600969937.db2.gz MKOHRPVJCIUKGD-UHFFFAOYSA-N -1 0 374.315 3.521 20 5 FHBDRM Cc1cc(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cc([N+](=O)[O-])c1 ZINC000832866546 601080291 /nfs/dbraw/zinc/08/02/91/601080291.db2.gz FSMYTVXFRMGKDR-UHFFFAOYSA-N -1 0 363.395 3.608 20 5 FHBDRM CN(Cc1ccccc1[N+](=O)[O-])C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000830859296 601092484 /nfs/dbraw/zinc/09/24/84/601092484.db2.gz DKMNNDCLPCKYNY-UHFFFAOYSA-N -1 0 371.393 3.621 20 5 FHBDRM O=C([O-])[C@@H]1CCC[C@H](C(=O)N(c2cccc([N+](=O)[O-])c2)C2CCCC2)C1 ZINC000833186568 601155958 /nfs/dbraw/zinc/15/59/58/601155958.db2.gz SMVBSKUGOMPMCV-UONOGXRCSA-N -1 0 360.410 3.761 20 5 FHBDRM CC[C@H](NC(=O)Nc1cccc(C(=O)[O-])c1C)c1cccc([N+](=O)[O-])c1 ZINC000828957941 601337145 /nfs/dbraw/zinc/33/71/45/601337145.db2.gz JUXJSFGQLNHCGU-HNNXBMFYSA-N -1 0 357.366 3.874 20 5 FHBDRM CCc1oc(C(=O)[O-])cc1CNc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000830379144 601390352 /nfs/dbraw/zinc/39/03/52/601390352.db2.gz KXSWMXZVVOQBKF-UHFFFAOYSA-N -1 0 356.281 3.662 20 5 FHBDRM O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000833178939 601432122 /nfs/dbraw/zinc/43/21/22/601432122.db2.gz KOWJUYXJTKWERW-CZUORRHYSA-N -1 0 373.409 3.591 20 5 FHBDRM Cc1cc(N2CCC([C@@H](O)c3ccccc3)CC2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832888417 601544829 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370.814 3.674 20 5 FHBDRM CC[C@@H](c1ccccc1)N(CC(=O)[O-])Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000516981713 943882087 /nfs/dbraw/zinc/88/20/87/943882087.db2.gz LZNJWHHYTZFWPG-KRWDZBQOSA-N -1 0 368.393 3.509 20 5 FHBDRM COc1cccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])c1OC(C)C ZINC000506072699 943941704 /nfs/dbraw/zinc/94/17/04/943941704.db2.gz UDSGSBSNNLRTPF-FPLPWBNLSA-N -1 0 358.350 3.654 20 5 FHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N1CCC[C@H]1c1nc2ccccc2s1 ZINC000505743030 943953062 /nfs/dbraw/zinc/95/30/62/943953062.db2.gz ZZTPNHIDETWSHK-HNNXBMFYSA-N -1 0 369.402 3.887 20 5 FHBDRM Cc1ccc(OC2CCN(C(=O)c3cc([O-])cc([N+](=O)[O-])c3)CC2)cc1C ZINC000505788718 944190427 /nfs/dbraw/zinc/19/04/27/944190427.db2.gz WMVBDJUZRHBLIV-UHFFFAOYSA-N -1 0 370.405 3.601 20 5 FHBDRM CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 ZINC000425950431 944362717 /nfs/dbraw/zinc/36/27/17/944362717.db2.gz LZDRXMAWUVXOMY-UHFFFAOYSA-N -1 0 362.407 3.624 20 5 FHBDRM 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TYZAJGBCJLCZNF-UHFFFAOYSA-N -1 0 360.347 3.501 20 5 FHBDRM Cc1noc(C2CCC(Nc3ccc(/C=C\C(=O)[O-])cc3[N+](=O)[O-])CC2)n1 ZINC000833022902 601830200 /nfs/dbraw/zinc/83/02/00/601830200.db2.gz LITPZBRFQFLPKU-OQFOIZHKSA-N -1 0 372.381 3.522 20 5 FHBDRM O=C([O-])c1ccc(COc2ccc(Br)cc2[N+](=O)[O-])s1 ZINC000115871640 601849326 /nfs/dbraw/zinc/84/93/26/601849326.db2.gz MXUGVZBUACMRLT-UHFFFAOYSA-N -1 0 358.169 3.696 20 5 FHBDRM COc1cccc2c1CC[C@@H]2Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000832577083 601863807 /nfs/dbraw/zinc/86/38/07/601863807.db2.gz DFBRTPBQJFCYSC-MLBQELRYSA-N -1 0 354.362 3.801 20 5 FHBDRM COc1cccc2c1CC[C@@H]2Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000832577086 601863839 /nfs/dbraw/zinc/86/38/39/601863839.db2.gz DFBRTPBQJFCYSC-WGPYJDKQSA-N -1 0 354.362 3.801 20 5 FHBDRM C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)OCc1ccc(C(=O)[O-])s1 ZINC000827915514 601998183 /nfs/dbraw/zinc/99/81/83/601998183.db2.gz NWKRURIGVQCMLO-SECBINFHSA-N -1 0 367.404 3.579 20 5 FHBDRM Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000832957765 602047001 /nfs/dbraw/zinc/04/70/01/602047001.db2.gz JWIFHDVPFVBDBQ-UONOGXRCSA-N -1 0 363.414 3.757 20 5 FHBDRM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827405074 602139810 /nfs/dbraw/zinc/13/98/10/602139810.db2.gz LHWGQFMUZHVERZ-SFCXEPTFSA-N -1 0 356.378 3.617 20 5 FHBDRM C[C@H](C[C@H](O)c1ccccc1)Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000827405071 602140012 /nfs/dbraw/zinc/14/00/12/602140012.db2.gz LHWGQFMUZHVERZ-LWWAGVBASA-N -1 0 356.378 3.617 20 5 FHBDRM COc1ccc(CNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])c(OC)c1 ZINC000832356204 602251513 /nfs/dbraw/zinc/25/15/13/602251513.db2.gz DZSVFTNSORESNG-UHFFFAOYSA-N -1 0 366.757 3.576 20 5 FHBDRM O=C([O-])N1CCc2cc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])ccc21 ZINC000740470191 602252854 /nfs/dbraw/zinc/25/28/54/602252854.db2.gz KZIGGLBWIKJQFA-UHFFFAOYSA-N -1 0 361.741 3.541 20 5 FHBDRM Cc1cc(NC[C@H](O)c2c(F)cccc2Cl)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832896399 602319288 /nfs/dbraw/zinc/31/92/88/602319288.db2.gz ISKBKPDHAYHYGR-ZDUSSCGKSA-N -1 0 368.748 3.539 20 5 FHBDRM Cc1cc(N[C@H](C)c2cccc(-n3ccnc3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897002 602320365 /nfs/dbraw/zinc/32/03/65/602320365.db2.gz JVOAQSNPMJRICU-CYBMUJFWSA-N -1 0 366.377 3.960 20 5 FHBDRM Cc1c(NC(=O)CC[C@@H](NC(=O)[O-])c2ccccc2)cccc1[N+](=O)[O-] ZINC000740048899 602454277 /nfs/dbraw/zinc/45/42/77/602454277.db2.gz ITZKTZNDAVTCOB-OAHLLOKOSA-N -1 0 357.366 3.631 20 5 FHBDRM CN(Cc1cccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])c1)C(=O)[O-] ZINC000739713428 602459931 /nfs/dbraw/zinc/45/99/31/602459931.db2.gz OCRWYCNKJJDQCQ-UHFFFAOYSA-N -1 0 363.757 3.610 20 5 FHBDRM O=C([O-])Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 ZINC000740712368 602500959 /nfs/dbraw/zinc/50/09/59/602500959.db2.gz QLEVFSIXEIGRPI-UHFFFAOYSA-N -1 0 370.365 3.537 20 5 FHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)[O-] ZINC000740100658 602510317 /nfs/dbraw/zinc/51/03/17/602510317.db2.gz WGSJDAKNVMMRGZ-UHFFFAOYSA-N -1 0 355.350 3.586 20 5 FHBDRM O=C([O-])N1CCC[C@H]1[C@@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000740521509 602670045 /nfs/dbraw/zinc/67/00/45/602670045.db2.gz ZMERLEBAHXOYDA-CJNGLKHVSA-N -1 0 370.409 3.502 20 5 FHBDRM O=C([O-])N1CCC[C@H]1[C@H]1CCCN(c2ccc3ncccc3c2[N+](=O)[O-])C1 ZINC000740521506 602670062 /nfs/dbraw/zinc/67/00/62/602670062.db2.gz ZMERLEBAHXOYDA-BBRMVZONSA-N -1 0 370.409 3.502 20 5 FHBDRM CCOc1ccc([N+](=O)[O-])cc1CNc1ccc([C@H](C)NC(=O)[O-])cc1 ZINC000827445315 603179845 /nfs/dbraw/zinc/17/98/45/603179845.db2.gz ZPAYMOVRUGXIGG-LBPRGKRZSA-N -1 0 359.382 3.934 20 5 FHBDRM COC(=O)C=Cc1ccc(Oc2ccc(NC(=O)[O-])cc2)c([N+](=O)[O-])c1 ZINC000828646153 603195948 /nfs/dbraw/zinc/19/59/48/603195948.db2.gz FWFYUFSLDLYYJK-YCRREMRBSA-N -1 0 358.306 3.663 20 5 FHBDRM O=C([O-])Nc1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c(Cl)c1 ZINC000740697751 603211789 /nfs/dbraw/zinc/21/17/89/603211789.db2.gz IAAPDJJYXFSAJG-UHFFFAOYSA-N -1 0 361.741 3.541 20 5 FHBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)[C@H](C)[C@@H](NC(=O)[O-])c1ccccc1 ZINC000829997969 603222018 /nfs/dbraw/zinc/22/20/18/603222018.db2.gz RCELNDKUUZZENX-CXAGYDPISA-N -1 0 371.393 3.795 20 5 FHBDRM Cc1ccc(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)[O-] ZINC000830204769 603712545 /nfs/dbraw/zinc/71/25/45/603712545.db2.gz ILPFDWBRJBZKHA-GFCCVEGCSA-N -1 0 357.366 3.793 20 5 FHBDRM CC(C)(NC(=O)Nc1ccc(NC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000824020045 603805280 /nfs/dbraw/zinc/80/52/80/603805280.db2.gz AFCOBLZNKKUFMB-UHFFFAOYSA-N -1 0 358.354 3.742 20 5 FHBDRM Cc1ccc([C@@H](C)NC(=O)Nc2cccc(CNC(=O)[O-])c2)cc1[N+](=O)[O-] ZINC000830257701 603808683 /nfs/dbraw/zinc/80/86/83/603808683.db2.gz WZVAYOPRAQJERA-GFCCVEGCSA-N -1 0 372.381 3.554 20 5 FHBDRM O=C([O-])N1CCc2c1cccc2NC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000831797309 603951214 /nfs/dbraw/zinc/95/12/14/603951214.db2.gz GPKNHBHPWBJIDM-UHFFFAOYSA-N -1 0 361.741 3.541 20 5 FHBDRM C[C@H](OC(=O)CC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1ccccc1[N+](=O)[O-] ZINC000825579376 604154216 /nfs/dbraw/zinc/15/42/16/604154216.db2.gz LPEBWZNIQWAOLP-FUDCBSFHSA-N -1 0 362.382 3.510 20 5 FHBDRM O=C([O-])N[C@H]1CC[C@H](C(=O)Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC000832307737 604242963 /nfs/dbraw/zinc/24/29/63/604242963.db2.gz VVFZDSFZVMQBGD-GJZGRUSLSA-N -1 0 370.361 3.604 20 5 FHBDRM Cc1nc(C)c(CCNc2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000832994183 604266238 /nfs/dbraw/zinc/26/62/38/604266238.db2.gz DNRYKKDXYAVPGC-UHFFFAOYSA-N -1 0 355.803 3.674 20 5 FHBDRM CCOc1cc(Oc2ccc(/C=C/C(=O)[O-])cc2OC)ccc1[N+](=O)[O-] ZINC000833661043 604821801 /nfs/dbraw/zinc/82/18/01/604821801.db2.gz ZHFRDXWHYJBAQH-WEVVVXLNSA-N -1 0 359.334 3.892 20 5 FHBDRM C[C@H](Sc1ccccc1C(=O)Oc1cc(F)cc([N+](=O)[O-])c1)C(=O)[O-] ZINC000827921512 604897283 /nfs/dbraw/zinc/89/72/83/604897283.db2.gz FSDXZKYVMHJSGI-VIFPVBQESA-N -1 0 365.338 3.518 20 5 FHBDRM O=C([O-])Nc1cccc(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000833290114 604949909 /nfs/dbraw/zinc/94/99/09/604949909.db2.gz XPUAVJIFOKBPBV-UHFFFAOYSA-N -1 0 370.365 3.881 20 5 FHBDRM Cc1c(NC(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000263471018 605036407 /nfs/dbraw/zinc/03/64/07/605036407.db2.gz HSQUXSOGAMLIGS-HNNXBMFYSA-N -1 0 371.393 3.501 20 5 FHBDRM C[C@@H]1CC[C@H](C)N1c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000833604953 605042300 /nfs/dbraw/zinc/04/23/00/605042300.db2.gz VDDRTNRZYAWCTE-BETUJISGSA-N -1 0 368.389 3.901 20 5 FHBDRM Cc1cccc(OCc2coc(-c3ccc(C(=O)[O-])cc3)n2)c1[N+](=O)[O-] ZINC000833753586 605157969 /nfs/dbraw/zinc/15/79/69/605157969.db2.gz SETJKNBWQXBVFL-UHFFFAOYSA-N -1 0 354.318 3.835 20 5 FHBDRM Cc1cc(F)cc(C(=O)Nc2ccc(NC(=O)[O-])c(F)c2)c1[N+](=O)[O-] ZINC000833745012 605304474 /nfs/dbraw/zinc/30/44/74/605304474.db2.gz NWIHSHGNYQFMQP-UHFFFAOYSA-N -1 0 351.265 3.524 20 5 FHBDRM C/C(=C/C(=O)Nc1cc(C(=O)[O-])c(F)cc1F)c1ccc([N+](=O)[O-])cc1 ZINC000833382302 605333655 /nfs/dbraw/zinc/33/36/55/605333655.db2.gz LVCKABTUUSRXEC-TWGQIWQCSA-N -1 0 362.288 3.613 20 5 FHBDRM C/C(=C\C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-])c1ccc([N+](=O)[O-])cc1 ZINC000833383423 605354478 /nfs/dbraw/zinc/35/44/78/605354478.db2.gz SZDSMAANBAVESU-IUQIGXGESA-N -1 0 368.389 3.576 20 5 FHBDRM Cc1cc(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)ccc1NC(=O)[O-] ZINC000829961256 605590824 /nfs/dbraw/zinc/59/08/24/605590824.db2.gz FECCQXACIMJJTL-UHFFFAOYSA-N -1 0 351.265 3.524 20 5 FHBDRM Cc1ccc([C@H](C)NC(=O)c2ccc(NC(=O)[O-])c(C)c2)cc1[N+](=O)[O-] ZINC000829939054 605708296 /nfs/dbraw/zinc/70/82/96/605708296.db2.gz AZYKJCSENGMXIS-LBPRGKRZSA-N -1 0 357.366 3.793 20 5 FHBDRM Cc1cc(C(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1NC(=O)[O-] ZINC000829933860 605709613 /nfs/dbraw/zinc/70/96/13/605709613.db2.gz CDINMOIWRBGHQP-UHFFFAOYSA-N -1 0 357.366 3.658 20 5 FHBDRM O=C([O-])c1ccc(Cl)c(COC(=O)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000833763807 605818567 /nfs/dbraw/zinc/81/85/67/605818567.db2.gz HPXNSKCQPMAUOU-UHFFFAOYSA-N -1 0 363.753 3.622 20 5 FHBDRM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ncccc2-c2ccccc2)cs1 ZINC000120110324 927253104 /nfs/dbraw/zinc/25/31/04/927253104.db2.gz UVMRGTHKEDUGQE-UHFFFAOYSA-N -1 0 361.404 3.519 20 5 FHBDRM COc1cc(C)c([N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1F ZINC000187069503 927895796 /nfs/dbraw/zinc/89/57/96/927895796.db2.gz TXQIGJMBPJOFOU-UHFFFAOYSA-N -1 0 374.777 3.505 20 5 FHBDRM Cc1coc(-c2ccc(C)c([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n1 ZINC000161075026 933042786 /nfs/dbraw/zinc/04/27/86/933042786.db2.gz SBMOKAJHUHFRGI-UHFFFAOYSA-N -1 0 373.390 3.667 20 5 FHBDRM COc1ccccc1C1(CNC(=O)c2ccc([N+](=O)[O-])c([O-])c2)CCCC1 ZINC000065140287 934218786 /nfs/dbraw/zinc/21/87/86/934218786.db2.gz YUGIENQYOCSQJM-UHFFFAOYSA-N -1 0 370.405 3.551 20 5 FHBDRM Cc1ccc(-c2nnc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)s2)c(C)c1 ZINC000065219693 934734571 /nfs/dbraw/zinc/73/45/71/934734571.db2.gz OYDVLQHILADKHM-UHFFFAOYSA-N -1 0 370.390 3.688 20 5 FHBDRM COc1cccc(CN(CC(C)C)C(=O)c2cc([O-])cc([N+](=O)[O-])c2)c1 ZINC000611557175 934804641 /nfs/dbraw/zinc/80/46/41/934804641.db2.gz URJHSYIIYYKUSD-UHFFFAOYSA-N -1 0 358.394 3.607 20 5 FHBDRM Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2Cl)c(C)c1O ZINC000176639003 934828080 /nfs/dbraw/zinc/82/80/80/934828080.db2.gz SGVDZNJPZGSWTH-UHFFFAOYSA-N -1 0 370.814 3.680 20 5 FHBDRM O=C(N[C@H]1CCCOc2cc(Cl)ccc21)c1ccc([N+](=O)[O-])c([O-])c1 ZINC000538464080 934854518 /nfs/dbraw/zinc/85/45/18/934854518.db2.gz PLPRJCHUPDZEGZ-ZDUSSCGKSA-N -1 0 362.769 3.598 20 5 FHBDRM CC(C)Cc1n[n-]c(=NCc2ccc(-c3ccccc3[N+](=O)[O-])s2)o1 ZINC000538593404 934874299 /nfs/dbraw/zinc/87/42/99/934874299.db2.gz KECJUOIHIQNPFA-UHFFFAOYSA-N -1 0 358.423 3.939 20 5 FHBDRM CC(C)(C)c1nc2cc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])ccc2[nH]1 ZINC000119582559 934899181 /nfs/dbraw/zinc/89/91/81/934899181.db2.gz PCUUSWSXQPTFIQ-UHFFFAOYSA-N -1 0 374.422 3.569 20 5 FHBDRM CC(=O)c1cc(N[C@H](CCC(=O)[O-])Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000263568082 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357.366 3.537 20 5 FHBDRM Cc1sc(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2O)cc1[N+](=O)[O-] ZINC000466959145 944596617 /nfs/dbraw/zinc/59/66/17/944596617.db2.gz GIUFHYDARJABCK-UHFFFAOYSA-N -1 0 370.452 3.769 20 5 FHBDRM COc1cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)ccc1C(F)(F)F ZINC000436795644 944648631 /nfs/dbraw/zinc/64/86/31/944648631.db2.gz ZUEIREOBHOOLTJ-UHFFFAOYSA-N -1 0 356.256 3.580 20 5 FHBDRM CCCc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cnn1-c1ccccc1 ZINC000436797460 944651394 /nfs/dbraw/zinc/65/13/94/944651394.db2.gz NQVLKMICPVIZSX-UHFFFAOYSA-N -1 0 366.377 3.691 20 5 FHBDRM CC[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2[O-])c2cccc(Cl)c2O1 ZINC000436833944 944680859 /nfs/dbraw/zinc/68/08/59/944680859.db2.gz KPXQGCXGPNSQDE-SNVBAGLBSA-N -1 0 362.769 3.772 20 5 FHBDRM CN(CCc1ccccc1[N+](=O)[O-])C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000436826735 944698076 /nfs/dbraw/zinc/69/80/76/944698076.db2.gz LRHJAASNBWJNMO-UHFFFAOYSA-N -1 0 369.204 3.922 20 5 FHBDRM C[C@]1(c2ccccc2)CCCN(C(=O)c2cccc([N+](=O)[O-])c2[O-])CC1 ZINC000436858553 944722988 /nfs/dbraw/zinc/72/29/88/944722988.db2.gz OIYSUYSSIVFURX-FQEVSTJZSA-N -1 0 354.406 3.884 20 5 FHBDRM CCCN(C(=O)c1ccc([N+](=O)[O-])cc1[O-])[C@H]1CCc2ccccc2C1 ZINC000436867919 944733606 /nfs/dbraw/zinc/73/36/06/944733606.db2.gz FZIPBXRPLJKXBT-INIZCTEOSA-N -1 0 354.406 3.710 20 5 FHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1nc(-c2ccccc2)cs1 ZINC000436872297 944737831 /nfs/dbraw/zinc/73/78/31/944737831.db2.gz LZNWGQVMIUBJNF-NSHDSACASA-N -1 0 369.402 3.915 20 5 FHBDRM O=C([O-])[C@@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccccc1F ZINC000426779212 944796479 /nfs/dbraw/zinc/79/64/79/944796479.db2.gz FISVRDMIBLSAAQ-SFHVURJKSA-N -1 0 370.336 3.909 20 5 FHBDRM CC[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2[O-])c2cccc(Cl)c2O1 ZINC000436919575 944804406 /nfs/dbraw/zinc/80/44/06/944804406.db2.gz OMGQNHBXSDHTCJ-LLVKDONJSA-N -1 0 362.769 3.772 20 5 FHBDRM CC(C)n1c2ccccc2nc1[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1[O-] ZINC000436923975 944809220 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370.361 3.855 20 5 FHBDRM O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCCC2)c2cccc(F)c21 ZINC000436952718 944849595 /nfs/dbraw/zinc/84/95/95/944849595.db2.gz YJLYXUOUNXQWJB-UHFFFAOYSA-N -1 0 356.353 3.912 20 5 FHBDRM CCCSC[C@H](NCc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)[O-] ZINC000426827989 944852567 /nfs/dbraw/zinc/85/25/67/944852567.db2.gz JVONQLJTQVTAMT-HNNXBMFYSA-N -1 0 364.423 3.541 20 5 FHBDRM COc1c(Cl)cc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cc1Cl ZINC000436960239 944855482 /nfs/dbraw/zinc/85/54/82/944855482.db2.gz JTLYOVQDPHUEIP-UHFFFAOYSA-N -1 0 357.149 3.868 20 5 FHBDRM Cn1c2ccc(NC(=O)c3ccc([O-])c([N+](=O)[O-])c3)cc2nc1C(C)(C)C ZINC000436971295 944857857 /nfs/dbraw/zinc/85/78/57/944857857.db2.gz IKXYBFRRHRAZSF-UHFFFAOYSA-N -1 0 368.393 3.737 20 5 FHBDRM Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2[O-])cccc1OCC(F)(F)F ZINC000436973564 944863029 /nfs/dbraw/zinc/86/30/29/944863029.db2.gz YFUGTVNVOWXEBL-UHFFFAOYSA-N -1 0 370.283 3.802 20 5 FHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1[O-])c1ccc(-c2ccncc2)cc1 ZINC000436979685 944870670 /nfs/dbraw/zinc/87/06/70/944870670.db2.gz LBXFTLLIAAQJDW-ZDUSSCGKSA-N -1 0 363.373 3.853 20 5 FHBDRM CCCc1c(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)cnn1-c1ccccc1 ZINC000436991130 944884801 /nfs/dbraw/zinc/88/48/01/944884801.db2.gz UGKRTWONYHZHSS-UHFFFAOYSA-N -1 0 366.377 3.691 20 5 FHBDRM Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2[O-])cnn1-c1cc(C)ccc1C ZINC000436998874 944915633 /nfs/dbraw/zinc/91/56/33/944915633.db2.gz QHYUIHWIZRBYLD-UHFFFAOYSA-N -1 0 366.377 3.664 20 5 FHBDRM C[C@H](Cc1ccc(NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)cc1)C(=O)[O-] ZINC000432009164 944920975 /nfs/dbraw/zinc/92/09/75/944920975.db2.gz UEYFWPFFAZVSMU-LLVKDONJSA-N -1 0 367.361 3.592 20 5 FHBDRM Cc1ccccc1[C@H]1CN(c2ccc([N+](=O)[O-])c(C(=O)[O-])c2)[C@@H](C)CO1 ZINC000519644606 945614803 /nfs/dbraw/zinc/61/48/03/945614803.db2.gz DAMDHINZSCXNRF-SCLBCKFNSA-N -1 0 356.378 3.568 20 5 FHBDRM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2F)ccc1Cl ZINC000007428305 945695161 /nfs/dbraw/zinc/69/51/61/945695161.db2.gz AZJDXFALEZAXOR-UHFFFAOYSA-N -1 0 365.169 3.842 20 5 FHBDRM O=C(Nc1cc(F)ccc1OCC(F)(F)F)c1cc([O-])cc([N+](=O)[O-])c1 ZINC000475487385 946411645 /nfs/dbraw/zinc/41/16/45/946411645.db2.gz QQOWCMJNVMWXMN-UHFFFAOYSA-N -1 0 374.246 3.633 20 5 FHBDRM CSc1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)cc1[N+](=O)[O-] ZINC000511903028 946905469 /nfs/dbraw/zinc/90/54/69/946905469.db2.gz YKDUPPPXQCDZLP-UHFFFAOYSA-N -1 0 352.437 3.734 20 5 FHBDRM CC(C)(C)c1cccc2c1OCCN2C(=O)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000444505944 946967450 /nfs/dbraw/zinc/96/74/50/946967450.db2.gz XPRCAANRRRGVSO-UHFFFAOYSA-N -1 0 356.378 3.637 20 5 FHBDRM C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(Br)s1 ZINC000444548627 946989301 /nfs/dbraw/zinc/98/93/01/946989301.db2.gz OZBVKQRWFOVWBM-ZETCQYMHSA-N -1 0 371.212 3.615 20 5 FHBDRM O=[N+]([O-])c1ccc(-c2nc(Cc3coc(-c4cccs4)n3)no2)cc1[O-] ZINC000445197916 947596799 /nfs/dbraw/zinc/59/67/99/947596799.db2.gz YRBWOECSLSMACF-UHFFFAOYSA-N -1 0 370.346 3.658 20 5 FHBDRM O=C(c1ccc([N+](=O)[O-])cc1[O-])N1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000613896615 947855769 /nfs/dbraw/zinc/85/57/69/947855769.db2.gz XJLAVAJLWLCMJI-CQSZACIVSA-N -1 0 365.389 3.802 20 5 FHBDRM CCCN(Cc1cc([O-])ccc1[N+](=O)[O-])[C@@H](C)C(=O)Nc1ccccc1C ZINC000549613840 948026331 /nfs/dbraw/zinc/02/63/31/948026331.db2.gz RVYATINNZDZNDA-HNNXBMFYSA-N -1 0 371.437 3.848 20 5 FHBDRM Cc1ccc([C@@H]2CSCCN2C(=O)c2ccc([N+](=O)[O-])cc2[O-])cc1 ZINC000184790501 948486553 /nfs/dbraw/zinc/48/65/53/948486553.db2.gz JCJGGFJDTXYQGH-INIZCTEOSA-N -1 0 358.419 3.539 20 5 FHBDRM O=C(c1cc([O-])cc([N+](=O)[O-])c1)N(C1CC1)[C@@H]1CCCc2ccccc21 ZINC000432488874 948564589 /nfs/dbraw/zinc/56/45/89/948564589.db2.gz IKFJZUGGOMCWJB-LJQANCHMSA-N -1 0 352.390 3.983 20 5 FHBDRM O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cccc([O-])c1[N+](=O)[O-] ZINC000280839450 948599996 /nfs/dbraw/zinc/59/99/96/948599996.db2.gz VFWLCGQHZPAZOA-UHFFFAOYSA-N -1 0 356.334 3.594 20 5 FHBDRM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1c(C)cccc1[N+](=O)[O-] ZINC000071974333 221391537 /nfs/dbraw/zinc/39/15/37/221391537.db2.gz SNOKSTXCTDWNMF-UHFFFAOYSA-N -1 0 370.814 3.674 20 5 FHBDRM CSc1ccccc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000541802203 567849290 /nfs/dbraw/zinc/84/92/90/567849290.db2.gz XTHWMLYPXKYIOJ-UHFFFAOYSA-N -1 0 352.437 3.734 20 5 FHBDRM CCOc1cc(C(=O)NCc2cccc([N+](=O)[O-])c2C)cc(Cl)c1O ZINC000481461885 567958000 /nfs/dbraw/zinc/95/80/00/567958000.db2.gz BYBAWMVDBXNUGI-UHFFFAOYSA-N -1 0 364.785 3.591 20 5 FHBDRM Cc1ccc([N+](=O)[O-])c(Sc2n[n-]c(=Nc3cccc(F)c3)s2)n1 ZINC000481694373 568092295 /nfs/dbraw/zinc/09/22/95/568092295.db2.gz HZYRNAXHROXRIT-UHFFFAOYSA-N -1 0 363.399 3.606 20 5 FHBDRM O=C(N[C@H](c1ccccc1)c1cccc(F)c1)c1ccc([O-])c([N+](=O)[O-])c1 ZINC000436640280 568155792 /nfs/dbraw/zinc/15/57/92/568155792.db2.gz UXTFRSQDRAYSQQ-LJQANCHMSA-N -1 0 366.348 3.959 20 5 FHBDRM CC[C@@H](CNC(=O)c1ccc([O-])c([N+](=O)[O-])c1)Oc1ccccc1Cl ZINC000436640638 568178045 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CCPIWRGENTWJQT-LDYMZIIASA-N -1 0 361.310 3.530 20 5 FHBDRM CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000538503841 599848038 /nfs/dbraw/zinc/84/80/38/599848038.db2.gz OBQVUZGOGJKTEL-HNNXBMFYSA-N -1 0 374.418 3.571 20 5 FHBDRM Cc1ccc2c(c1C)OC[C@@H]2Nc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-] ZINC000738674909 599873675 /nfs/dbraw/zinc/87/36/75/599873675.db2.gz IBVPJTXOOZCXRI-WHWKNOJMSA-N -1 0 354.362 3.855 20 5 FHBDRM O=C([O-])c1sc2ccccc2c1CNC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000739435879 599880962 /nfs/dbraw/zinc/88/09/62/599880962.db2.gz JCMANTMPOGVCEW-UHFFFAOYSA-N -1 0 371.374 3.829 20 5 FHBDRM O=C([O-])Nc1cc(NC(=S)Nc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000740011325 600057222 /nfs/dbraw/zinc/05/72/22/600057222.db2.gz AZDWEMOJYOYKPI-UHFFFAOYSA-N -1 0 350.331 3.633 20 5 FHBDRM O=C([O-])CCSCc1cccc(NC(=O)c2ccc([N+](=O)[O-])s2)c1 ZINC000485794209 600067733 /nfs/dbraw/zinc/06/77/33/600067733.db2.gz CVNIAOBFZSFQEN-UHFFFAOYSA-N -1 0 366.420 3.617 20 5 FHBDRM COC(=O)CCc1ccc(Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000737602985 600162019 /nfs/dbraw/zinc/16/20/19/600162019.db2.gz DANNQNHUEFCQNH-BJMVGYQFSA-N -1 0 370.361 3.542 20 5 FHBDRM CC(C)(C)c1ccccc1OCC(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000736300457 600188606 /nfs/dbraw/zinc/18/86/06/600188606.db2.gz YQAZUKXFEYNVJD-UHFFFAOYSA-N -1 0 372.377 3.608 20 5 FHBDRM O=C([O-])c1ccccc1C(=O)c1ccc(NCc2ccoc2)c([N+](=O)[O-])c1 ZINC000740240613 600198368 /nfs/dbraw/zinc/19/83/68/600198368.db2.gz WNMNELRQWOSVIW-UHFFFAOYSA-N -1 0 366.329 3.729 20 5 FHBDRM O=C([O-])c1ccc2nc(SCCOc3cccc([N+](=O)[O-])c3)oc2c1 ZINC000740212918 600278779 /nfs/dbraw/zinc/27/87/79/600278779.db2.gz WMKQKPDLAMGCLW-UHFFFAOYSA-N -1 0 360.347 3.605 20 5 FHBDRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000740290287 600320749 /nfs/dbraw/zinc/32/07/49/600320749.db2.gz IBXIBDPAQBUPMF-ZDUSSCGKSA-N -1 0 370.144 3.884 20 5 FHBDRM CC(C)(CCC(=O)[O-])NC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 ZINC000236579002 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O=C([O-])c1cc(OCc2cccc(Br)c2)ccc1[N+](=O)[O-] ZINC000123825837 600444082 /nfs/dbraw/zinc/44/40/82/600444082.db2.gz UOPNHIJHMSIXAX-UHFFFAOYSA-N -1 0 352.140 3.635 20 5 FHBDRM Cc1cc2oc(=O)cc(COc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)c2cc1C ZINC000738486602 600445019 /nfs/dbraw/zinc/44/50/19/600445019.db2.gz BFNVADPIWQBPDX-UHFFFAOYSA-N -1 0 369.329 3.595 20 5 FHBDRM CCc1ccc2c(COc3ccc([N+](=O)[O-])c(C(=O)[O-])c3)cc(=O)oc2c1 ZINC000737266799 600445039 /nfs/dbraw/zinc/44/50/39/600445039.db2.gz IXNKGABFIQRCHQ-UHFFFAOYSA-N -1 0 369.329 3.541 20 5 FHBDRM C[C@@H]1CCc2sc(C(=O)Nc3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc2C1 ZINC000736808241 600539899 /nfs/dbraw/zinc/53/98/99/600539899.db2.gz XWMKQTDADFMGFC-SECBINFHSA-N -1 0 360.391 3.732 20 5 FHBDRM Cc1nc(-c2ccco2)ccc1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000738837531 600541280 /nfs/dbraw/zinc/54/12/80/600541280.db2.gz FARJZSSWUANPKI-UHFFFAOYSA-N -1 0 367.317 3.509 20 5 FHBDRM Cc1cccc(OCCCCC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000738737666 600542667 /nfs/dbraw/zinc/54/26/67/600542667.db2.gz KDJXINIZFRCOFC-UHFFFAOYSA-N -1 0 372.377 3.789 20 5 FHBDRM O=C([O-])c1cc(NC(=O)c2cc3cc(F)ccc3s2)cc([N+](=O)[O-])c1 ZINC000740090072 600544012 /nfs/dbraw/zinc/54/40/12/600544012.db2.gz MEXSXCLQIKQPKR-UHFFFAOYSA-N -1 0 360.322 3.899 20 5 FHBDRM Cc1ccnc(NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])c1[N+](=O)[O-] ZINC000738797607 600624102 /nfs/dbraw/zinc/62/41/02/600624102.db2.gz FHZLSMXHMQPPLI-QGZVFWFLSA-N -1 0 365.389 3.807 20 5 FHBDRM O=C([O-])Nc1cccc(NC(=O)NCCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000740043857 600625202 /nfs/dbraw/zinc/62/52/02/600625202.db2.gz ZTTQFVJCFASXDG-UHFFFAOYSA-N -1 0 372.381 3.829 20 5 FHBDRM O=C([O-])[C@H](OC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 ZINC000833350009 600721215 /nfs/dbraw/zinc/72/12/15/600721215.db2.gz HOLYLYXHLZRFHN-CYBMUJFWSA-N -1 0 369.251 3.596 20 5 FHBDRM CCCn1ccc2ccc(NC(=O)c3cc(C(=O)[O-])cc([N+](=O)[O-])c3)cc21 ZINC000829585436 600765346 /nfs/dbraw/zinc/76/53/46/600765346.db2.gz WTFNIUXWVILPJR-UHFFFAOYSA-N -1 0 367.361 3.910 20 5 FHBDRM O=C([O-])Nc1ccc(C(=O)OCc2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000740015772 600815575 /nfs/dbraw/zinc/81/55/75/600815575.db2.gz WFEPCFDLYVMYCU-UHFFFAOYSA-N -1 0 350.714 3.695 20 5 FHBDRM CCc1ccc([C@@H](COC)Nc2ccc(/C=C\C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000830238645 600816158 /nfs/dbraw/zinc/81/61/58/600816158.db2.gz SQZDACGHRTYBLI-HMZQOCAUSA-N -1 0 360.366 3.648 20 5 FHBDRM CCc1ccc([C@H](COC)Nc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])o1 ZINC000830238638 600816425 /nfs/dbraw/zinc/81/64/25/600816425.db2.gz SQZDACGHRTYBLI-BOSPYUDASA-N -1 0 360.366 3.648 20 5 FHBDRM O=C([O-])/C=C\c1ccc(NCc2coc(-c3ccccc3)n2)c([N+](=O)[O-])c1 ZINC000833197544 600816792 /nfs/dbraw/zinc/81/67/92/600816792.db2.gz RCGDQDMZLGSTAQ-CLFYSBASSA-N -1 0 365.345 3.960 20 5 FHBDRM C[C@H](COCc1ccccc1)Nc1ccc(/C=C\C(=O)[O-])cc1[N+](=O)[O-] ZINC000827525735 600822453 /nfs/dbraw/zinc/82/24/53/600822453.db2.gz XSRBAVUDVITONK-QQBNSCQMSA-N -1 0 356.378 3.710 20 5 FHBDRM O=C([O-])c1cc(NC(=O)c2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1F ZINC000767088603 600851824 /nfs/dbraw/zinc/85/18/24/600851824.db2.gz DIIOYSGCIVUKSD-UHFFFAOYSA-N -1 0 372.230 3.703 20 5 FHBDRM C[C@H]1C[C@H](c2ccccc2F)N(C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)C1 ZINC000192967890 600902014 /nfs/dbraw/zinc/90/20/14/600902014.db2.gz VENLSYSQMTWIHM-APPDUMDISA-N -1 0 372.352 3.655 20 5 FHBDRM COc1cccc(CN(C)c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])c1 ZINC000738097931 600942562 /nfs/dbraw/zinc/94/25/62/600942562.db2.gz UFEGPTKNNDXPGK-UHFFFAOYSA-N -1 0 350.758 3.591 20 5 FHBDRM O=C([O-])C[C@H](NC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 ZINC000833199320 600995181 /nfs/dbraw/zinc/99/51/81/600995181.db2.gz RCQLLRCZPUZVGK-AWEZNQCLSA-N -1 0 363.757 3.586 20 5 FHBDRM CC(C)(C)c1ccc(C(=O)Oc2ccccc2CC(=O)[O-])cc1[N+](=O)[O-] ZINC000736297080 601023238 /nfs/dbraw/zinc/02/32/38/601023238.db2.gz MLKIYJHHBGHMNH-UHFFFAOYSA-N -1 0 357.362 3.739 20 5 FHBDRM O=C([O-])Cc1ccccc1OC(=O)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000739891821 601023254 /nfs/dbraw/zinc/02/32/54/601023254.db2.gz JQAWBIAGCSISDC-UHFFFAOYSA-N -1 0 357.343 3.656 20 5 FHBDRM O=C([O-])CCN(C(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1cccc(F)c1 ZINC000739711490 601026979 /nfs/dbraw/zinc/02/69/79/601026979.db2.gz LZJPFTYYSVCGEW-UHFFFAOYSA-N -1 0 366.732 3.509 20 5 FHBDRM O=C([O-])CCN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1 ZINC000739711553 601027815 /nfs/dbraw/zinc/02/78/15/601027815.db2.gz MRORRJBNGBWGSI-UHFFFAOYSA-N -1 0 366.732 3.509 20 5 FHBDRM Cc1ccccc1-c1noc([C@@H](C)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)n1 ZINC000832973776 601056450 /nfs/dbraw/zinc/05/64/50/601056450.db2.gz COWSOPHERNQYCZ-LLVKDONJSA-N -1 0 369.333 3.791 20 5 FHBDRM O=C([O-])c1cc(NC(=O)c2c[nH]cc2-c2ccc(F)cc2)cc([N+](=O)[O-])c1 ZINC000740090058 601063423 /nfs/dbraw/zinc/06/34/23/601063423.db2.gz LMBMVLPGMIBAFS-UHFFFAOYSA-N -1 0 369.308 3.680 20 5 FHBDRM Cc1c(C(=O)Nc2nc(C(C)(C)C)c(C(=O)[O-])s2)cccc1[N+](=O)[O-] ZINC000832851194 601080178 /nfs/dbraw/zinc/08/01/78/601080178.db2.gz GEBIWAOAESXFDB-UHFFFAOYSA-N -1 0 363.395 3.608 20 5 FHBDRM O=C([O-])[C@@H](CNC(=O)c1cc2ccccc2c2cccnc12)c1ccccc1 ZINC000431515998 601081447 /nfs/dbraw/zinc/08/14/47/601081447.db2.gz DQRBVSYXTFTTLH-FQEVSTJZSA-N -1 0 370.408 3.986 20 5 FHBDRM C[C@@H](Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c1nnc(-c2cccs2)o1 ZINC000827889614 601402489 /nfs/dbraw/zinc/40/24/89/601402489.db2.gz FVLGTIDSVYGESE-MRVPVSSYSA-N -1 0 361.335 3.545 20 5 FHBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC000832875576 601529317 /nfs/dbraw/zinc/52/93/17/601529317.db2.gz ZYIFBCAAJZSRGI-UHFFFAOYSA-N -1 0 372.377 3.544 20 5 FHBDRM Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000539570984 601620705 /nfs/dbraw/zinc/62/07/05/601620705.db2.gz HYVOMHIXMGXVDQ-HNNXBMFYSA-N -1 0 362.769 3.502 20 5 FHBDRM Cc1cc(NC(=O)NC(C)(C)c2ccc([N+](=O)[O-])cc2)ccc1C(=O)[O-] ZINC000832895566 601713610 /nfs/dbraw/zinc/71/36/10/601713610.db2.gz JMEVUEJGHFHMCP-UHFFFAOYSA-N -1 0 357.366 3.658 20 5 FHBDRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(C(=O)[O-])cc2F)cc1[N+](=O)[O-] ZINC000832921086 601718742 /nfs/dbraw/zinc/71/87/42/601718742.db2.gz LBMWOBRDXMIMMX-SNVBAGLBSA-N -1 0 361.329 3.623 20 5 FHBDRM Cc1ccc([C@@H](C)NC(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832920865 601719781 /nfs/dbraw/zinc/71/97/81/601719781.db2.gz ILVYOXLQEHFOOM-CYBMUJFWSA-N -1 0 371.393 3.803 20 5 FHBDRM Cc1ccc([C@H](C)NC(=O)Nc2ccc(CNC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000832921770 601724387 /nfs/dbraw/zinc/72/43/87/601724387.db2.gz VZSOKMQKHKUHHA-LBPRGKRZSA-N -1 0 372.381 3.554 20 5 FHBDRM Cc1sc(C(=O)[O-])cc1COC(=O)c1cccc(Cl)c1[N+](=O)[O-] ZINC000833032786 601733481 /nfs/dbraw/zinc/73/34/81/601733481.db2.gz IGRWZHTXEZPXPB-UHFFFAOYSA-N -1 0 355.755 3.673 20 5 FHBDRM O=C([O-])[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)C1CCCCC1 ZINC000833124213 601751481 /nfs/dbraw/zinc/75/14/81/601751481.db2.gz QWZCMRLUPKDMSZ-OAHLLOKOSA-N -1 0 362.407 3.573 20 5 FHBDRM Cc1cc(NC(=O)NCc2cc([N+](=O)[O-])ccc2Cl)ccc1C(=O)[O-] ZINC000832894391 601755965 /nfs/dbraw/zinc/75/59/65/601755965.db2.gz DSSHTWBMOPGGFG-UHFFFAOYSA-N -1 0 363.757 3.577 20 5 FHBDRM O=C([O-])c1ccc(COc2ccc([N+](=O)[O-])cc2Br)s1 ZINC000833314130 601849739 /nfs/dbraw/zinc/84/97/39/601849739.db2.gz CEODHOCWGKHZIW-UHFFFAOYSA-N -1 0 358.169 3.696 20 5 FHBDRM Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1 ZINC000237683712 601870058 /nfs/dbraw/zinc/87/00/58/601870058.db2.gz TZMAJNOMIHYRMF-SFHVURJKSA-N -1 0 368.389 3.887 20 5 FHBDRM CN(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000739586075 601891830 /nfs/dbraw/zinc/89/18/30/601891830.db2.gz WPDGXJQWLUTZRR-HNNXBMFYSA-N -1 0 363.417 3.602 20 5 FHBDRM CN(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc3ccccc3c3cccnc23)C1 ZINC000739586077 601891938 /nfs/dbraw/zinc/89/19/38/601891938.db2.gz WPDGXJQWLUTZRR-OAHLLOKOSA-N -1 0 363.417 3.602 20 5 FHBDRM O=C([O-])c1cc([N+](=O)[O-])c(=O)n(Cc2ccc(C3CCCCC3)cc2)c1 ZINC000833306870 602123373 /nfs/dbraw/zinc/12/33/73/602123373.db2.gz FKXOJXPZOHFTKN-UHFFFAOYSA-N -1 0 356.378 3.551 20 5 FHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2cnn(-c3ccccc3)c2)cc1Cl ZINC000833308667 602251204 /nfs/dbraw/zinc/25/12/04/602251204.db2.gz YNCPBRJRDCZYSV-UHFFFAOYSA-N -1 0 372.768 3.744 20 5 FHBDRM O=C([O-])c1cc([N+](=O)[O-])c(NCc2ccn(-c3ccccc3)n2)cc1Cl ZINC000833307062 602254079 /nfs/dbraw/zinc/25/40/79/602254079.db2.gz KHROANAIRHUOTO-UHFFFAOYSA-N -1 0 372.768 3.744 20 5 FHBDRM Cc1cc(NCc2ccnc(N3CCCCC3)c2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000578536444 602313328 /nfs/dbraw/zinc/31/33/28/602313328.db2.gz DAFQEILLAGGZPG-UHFFFAOYSA-N -1 0 370.409 3.599 20 5 FHBDRM Cc1cc(N[C@@H](c2ccccc2)[C@@H]2CCCO2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000565038874 602315647 /nfs/dbraw/zinc/31/56/47/602315647.db2.gz VGDBCGMHPSRZOI-IRXDYDNUSA-N -1 0 356.378 3.934 20 5 FHBDRM Cc1cc(N2CCCO[C@H](c3ccccc3)C2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832890886 602317023 /nfs/dbraw/zinc/31/70/23/602317023.db2.gz FTPLNRFXYHSHJK-KRWDZBQOSA-N -1 0 356.378 3.569 20 5 FHBDRM Cc1cc(NC[C@H](O)c2cc3ccccc3s2)cc(C(=O)[O-])c1[N+](=O)[O-] ZINC000832897041 602324159 /nfs/dbraw/zinc/32/41/59/602324159.db2.gz QZTFYWMOWJMFON-AWEZNQCLSA-N -1 0 372.402 3.962 20 5 FHBDRM Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)CC[C@@H](NC(=O)[O-])c1ccccc1 ZINC000740064522 602454262 /nfs/dbraw/zinc/45/42/62/602454262.db2.gz SEBTVMPHJCYZJB-OAHLLOKOSA-N -1 0 371.393 3.939 20 5 FHBDRM COc1ccc(NC(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1NC(=O)[O-] ZINC000739923568 602460460 /nfs/dbraw/zinc/46/04/60/602460460.db2.gz JNDHOFOSAMSUTR-UHFFFAOYSA-N -1 0 365.729 3.599 20 5 FHBDRM Cc1c(C(=O)Nc2ccc3c(c2)CCCN3C(=O)[O-])cccc1[N+](=O)[O-] ZINC000740042463 602506250 /nfs/dbraw/zinc/50/62/50/602506250.db2.gz UMFPRQLDPAPWTE-UHFFFAOYSA-N -1 0 355.350 3.586 20 5 FHBDRM CCOc1ccc(C(=O)Nc2ccc([C@@H](C)NC(=O)[O-])cc2)cc1[N+](=O)[O-] ZINC000827426961 603175414 /nfs/dbraw/zinc/17/54/14/603175414.db2.gz BGPSZTIBNYSCLV-LLVKDONJSA-N -1 0 373.365 3.574 20 5 FHBDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)cc1 ZINC000825442435 603186367 /nfs/dbraw/zinc/18/63/67/603186367.db2.gz GTTAAQVCEWKFLZ-JTQLQIEISA-N -1 0 369.333 3.922 20 5 FHBDRM O=C([O-])N[C@H](CNc1ccc([N+](=O)[O-])c(OC(F)F)c1)c1ccccc1 ZINC000832140100 603204305 /nfs/dbraw/zinc/20/43/05/603204305.db2.gz GOUUPVBNZWHWKH-GFCCVEGCSA-N -1 0 367.308 3.617 20 5 FHBDRM Cc1ccc(C(=O)N2c3ccc([N+](=O)[O-])cc3C[C@H]2C)cc1NC(=O)[O-] ZINC000830205146 603531628 /nfs/dbraw/zinc/53/16/28/603531628.db2.gz LZWZLLIRPDUILW-LLVKDONJSA-N -1 0 355.350 3.585 20 5 FHBDRM C[C@H](NC(=O)[O-])c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 ZINC000825442590 603546056 /nfs/dbraw/zinc/54/60/56/603546056.db2.gz KVWUVXGVUWDMAW-VIFPVBQESA-N -1 0 363.757 3.829 20 5 FHBDRM O=C([O-])N[C@@H]1CC[C@H](C(=O)OCc2nc3ccccc3c3ccccc23)C1 ZINC000832308253 604049690 /nfs/dbraw/zinc/04/96/90/604049690.db2.gz XMYUKZXMSLFJHV-UONOGXRCSA-N -1 0 364.401 3.868 20 5 FHBDRM CCc1cnc(CN(C)c2cc(Cl)c(C(=O)[O-])cc2[N+](=O)[O-])s1 ZINC000830290454 604270758 /nfs/dbraw/zinc/27/07/58/604270758.db2.gz QVAUYHHYIYUHDK-UHFFFAOYSA-N -1 0 355.803 3.602 20 5 FHBDRM Cc1c2cc(C)ccc2[nH]c1C(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1 ZINC000832958557 604281870 /nfs/dbraw/zinc/28/18/70/604281870.db2.gz KVFWXYGEHNNVHP-UHFFFAOYSA-N -1 0 353.334 3.643 20 5 FHBDRM CC[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)c1cccc([N+](=O)[O-])c1C ZINC000829027457 604429313 /nfs/dbraw/zinc/42/93/13/604429313.db2.gz NHHJQQSYNXQDQV-MRXNPFEDSA-N -1 0 356.378 3.581 20 5 FHBDRM O=C([O-])c1ccc(OC[C@H](O)c2ccc3ccccc3c2)c([N+](=O)[O-])c1 ZINC000833781411 604534133 /nfs/dbraw/zinc/53/41/33/604534133.db2.gz BALKWIBTPGFYFQ-KRWDZBQOSA-N -1 0 353.330 3.559 20 5 FHBDRM Cc1cc([C@@H](C)OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)oc1C(=O)[O-] ZINC000832877614 604544894 /nfs/dbraw/zinc/54/48/94/604544894.db2.gz ZFRFOUJTJSRBQA-MRVPVSSYSA-N -1 0 353.714 3.766 20 5 FHBDRM O=C([O-])/C=C/c1ccc(NCc2ccn(C3CCCC3)n2)c([N+](=O)[O-])c1 ZINC000833197068 604638994 /nfs/dbraw/zinc/63/89/94/604638994.db2.gz IUEHZGJBSCWGPF-SOFGYWHQSA-N -1 0 356.382 3.616 20 5 FHBDRM Cc1ccc([N+](=O)[O-])c(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000581729490 604639562 /nfs/dbraw/zinc/63/95/62/604639562.db2.gz ZMTWQVRNURWDTH-UHFFFAOYSA-N -1 0 355.394 3.682 20 5 FHBDRM O=C([O-])c1ccc(F)c(NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000833317885 604946220 /nfs/dbraw/zinc/94/62/20/604946220.db2.gz NUHMVLVPUZPZEI-UHFFFAOYSA-N -1 0 373.340 3.629 20 5 FHBDRM C[C@@H]1CC[C@@H](C)N1c1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-] ZINC000833604954 605042421 /nfs/dbraw/zinc/04/24/21/605042421.db2.gz VDDRTNRZYAWCTE-CHWSQXEVSA-N -1 0 368.389 3.901 20 5 FHBDRM C/C(=C\C(=O)N[C@H](CCC(=O)[O-])c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000833383528 605343650 /nfs/dbraw/zinc/34/36/50/605343650.db2.gz UQNWKBJBLZCSPL-KAUXGEHWSA-N -1 0 368.389 3.720 20 5 FHBDRM C/C(=C/C(=O)N1C[C@@H](CC(=O)[O-])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000833381132 605349864 /nfs/dbraw/zinc/34/98/64/605349864.db2.gz BQKSGFNUGYAPRN-VSKPTYQZSA-N -1 0 366.373 3.603 20 5 FHBDRM C/C(=C\C(=O)Oc1ccc(SCC(=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 ZINC000833385634 605360243 /nfs/dbraw/zinc/36/02/43/605360243.db2.gz WQXHPIHTYQOROG-ZRDIBKRKSA-N -1 0 373.386 3.780 20 5 FHBDRM C[C@@H](OC(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1)c1nc(C2CC2)cs1 ZINC000833534323 605795691 /nfs/dbraw/zinc/79/56/91/605795691.db2.gz XGOZVYINSLLMMT-MRVPVSSYSA-N -1 0 362.363 3.545 20 5 FHBDRM