0 B21R2.313534 CCOC(=O)c1[nH]c(nc1C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100000700896 [1,0,0,0,0,0|2,0,0]=3 1 B21R2.313534 CCOC(=O)c1[nH]c(nc1C)c2cncc(c2)[N+](=O)[O-] 271570a_100010253253_100000700896 [1,0,0,0,0,0|3,0,0]=4 2 B21R2.313534 CCOC(=O)c1nc(sc1C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100010003084 [1,0,0,0,0,0|3,0,0]=4 3 B21R2.313534 CCOC(=O)c1sc(nc1C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100000689613 [1,0,0,0,0,0|2,0,0]=3 4 B21R2.313534 CCOC(=O)c1sc(nc1C)c2cncc(c2)[N+](=O)[O-] 271570a_100010253253_100000689613 [1,0,0,0,0,0|3,0,0]=4 5 B21R2.5336115 CCOC(=O)c1n[nH]c(c1C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100010141108 [1,0,0,0,0,0|2,0,1]=4 6 B21R1.847288 CCOC(=C(N=O)C(=NNc1cccc(c1)[N+](=O)[O-])C)O 4a_103437854219_200016234141 [0,0,1,0,0,0|2,0,1]=4 7 B21R1.847288 CCOC(=O)C(=[N+]=[N-])C(=NNc1cccc(c1)[N+](=O)[O-])C 4a_103437854219_100000055539 [0,0,1,0,0,0|2,0,0]=3 8 B21R1.847288 CCOC(=O)C(C#N)C(=NNc1cccc(c1)[N+](=O)[O-])C 4a_103437854219_200000045408 [0,0,1,0,0,0|1,0,2]=4 9 B21R1.847288 CCOC(=O)C(CC)C(=NNc1cccc(c1)[N+](=O)[O-])C 4a_103437854219_100000210620 [0,0,1,0,0,0|0,0,2]=3 10 B23R2.68643800 CCOC(=O)c1c(nc(nc1C)c2cccc(c2)C(=O)C)C 271570a_100000067831_100010725493 [0,0,0,0,0,1|3,0,0]=4 11 B23R2.68643800 CCOC(=O)c1c(nc(nc1C)c2cccc(c2)C(=O)N)C 271570a_100000067779_100010725493 [0,0,0,0,0,1|3,0,0]=4 12 B23R2.68643800 CCOC(=O)c1c(nc(nc1C)c2cccc(c2)S(=O)C)C 271570a_100010046206_100010725493 [0,0,0,0,0,1|3,0,0]=4 13 B23R2.68643800 CCOC(=O)c1c(nc(nc1C)c2cccc(c2)[N+](=O)[O-])C 271570a_100000744860_100010725493 [0,0,0,0,0,1|1,0,0]=2 14 B23R2.68643800 CCOC(=O)c1c(nc(nc1C)c2cncc(c2)[N+](=O)[O-])C 271570a_100010253253_100010725493 [0,0,0,0,0,1|2,0,0]=3 15 B20R1.461795 CCOC(=O)C(C)C(=NNc1cccc(c1)[N+](=O)[O-])C 4a_103437854219_100011215780 [1,0,1,0,0,0|0,0,1]=3 16 B20R1.461795 CCOC(=O)C(F)C(=NNc1cccc(c1)[N+](=O)[O-])C 4a_103437854219_100011197482 [1,0,1,0,0,0|1,0,1]=4 17 B20R1.642939 CCC(C(=O)OC)C(=NNc1cccc(c1)[N+](=O)[O-])C 4a_103437854219_100000211902 [1,0,1,0,0,0|0,0,2]=4 18 B20R1.72626 CCOC(=O)C=C(C)CN(C)c1cccc(c1)[N+](=O)[O-] 269982a_102515432896_100135422193 [1,0,1,0,0,0|1,0,0]=3 19 B20R1.72626 CCOC(=O)C=C(C)CN(C)c1cccc(c1)[N+](=O)[O-] 34a_102515432896_100135422193 [1,0,1,0,0,0|1,0,0]=3 20 B22R1.1201549 CCOC(=O)C(=[N+]=[N-])C(=NNc1cccc(c1C)[N+](=O)[O-])C 4a_100000750639_100000055539 [0,1,1,0,0,0|2,0,0]=4 21 B22R1.1201549 CCOC(=O)C(CC)C(=NNc1cccc(c1C)[N+](=O)[O-])C 4a_100000750639_100000210620 [0,1,1,0,0,0|0,0,2]=4 22 B22R1.9782548 C=CCC(C(=O)OCC)C(=NNc1cccc(c1)[N+](=O)[O-])C 4a_103437854219_200000041039 [0,1,1,0,0,0|0,0,2]=4 23 B22R1.11060071 CCOC(=O)C(C)(CC)C(=NNc1cccc(c1)[N+](=O)[O-])C 4a_103437854219_200000035410 [0,1,1,0,0,0|0,0,2]=4 24 B22R2.454500 CCOC(=O)c1[nH]c(nc1C)c2cc(ccc2C)[N+](=O)[O-] 271570a_100000041892_100000700896 [1,1,0,0,0,0|2,0,0]=4 25 B22R2.454500 CCOC(=O)c1[nH]c(nc1C)c2cc(ccc2Cl)[N+](=O)[O-] 271570a_100000067309_100000700896 [1,1,0,0,0,0|2,0,0]=4 26 B22R2.454500 CCOC(=O)c1[nH]c(nc1C)c2cc(ccc2F)[N+](=O)[O-] 271570a_100000067040_100000700896 [1,1,0,0,0,0|2,0,0]=4 27 B22R2.454500 CCOC(=O)c1sc(nc1C)c2cc(ccc2C)[N+](=O)[O-] 271570a_100000041892_100000689613 [1,1,0,0,0,0|2,0,0]=4 28 B22R2.454500 CCOC(=O)c1sc(nc1C)c2cc(ccc2Cl)[N+](=O)[O-] 271570a_100000067309_100000689613 [1,1,0,0,0,0|2,0,0]=4 29 B22R2.454500 CCOC(=O)c1sc(nc1C)c2cc(ccc2F)[N+](=O)[O-] 271570a_100000067040_100000689613 [1,1,0,0,0,0|2,0,0]=4 30 B22R2.454515 CCOC(=O)c1[nH]c(nc1C)c2ccc(c(c2)[N+](=O)[O-])Br 271570a_100009813761_100000700896 [1,1,0,0,0,0|2,0,0]=4 31 B22R2.454515 CCOC(=O)c1[nH]c(nc1C)c2ccc(c(c2)[N+](=O)[O-])C 271570a_100000741299_100000700896 [1,1,0,0,0,0|2,0,0]=4 32 B22R2.454515 CCOC(=O)c1[nH]c(nc1C)c2ccc(c(c2)[N+](=O)[O-])Cl 271570a_100000041744_100000700896 [1,1,0,0,0,0|2,0,0]=4 33 B22R2.454515 CCOC(=O)c1[nH]c(nc1C)c2ccc(c(c2)[N+](=O)[O-])F 271570a_100010141015_100000700896 [1,1,0,0,0,0|2,0,0]=4 34 B22R2.454515 CCOC(=O)c1[nH]c(nc1C)c2ccc(c(c2)[N+](=O)[O-])N 271570a_100010175889_100000700896 [1,1,0,0,0,0|2,0,0]=4 35 B22R2.454515 CCOC(=O)c1[nH]c(nc1C)c2ccc(c(c2)[N+](=O)[O-])O 271570a_100000068227_100000700896 [1,1,0,0,0,0|2,0,0]=4 36 B22R2.454515 CCOC(=O)c1sc(nc1C)c2ccc(c(c2)[N+](=O)[O-])Br 271570a_100009813761_100000689613 [1,1,0,0,0,0|2,0,0]=4 37 B22R2.454515 CCOC(=O)c1sc(nc1C)c2ccc(c(c2)[N+](=O)[O-])C 271570a_100000741299_100000689613 [1,1,0,0,0,0|2,0,0]=4 38 B22R2.454515 CCOC(=O)c1sc(nc1C)c2ccc(c(c2)[N+](=O)[O-])Cl 271570a_100000041744_100000689613 [1,1,0,0,0,0|2,0,0]=4 39 B22R2.454515 CCOC(=O)c1sc(nc1C)c2ccc(c(c2)[N+](=O)[O-])F 271570a_100010141015_100000689613 [1,1,0,0,0,0|2,0,0]=4 40 B22R2.454515 CCOC(=O)c1sc(nc1C)c2ccc(c(c2)[N+](=O)[O-])N 271570a_100010175889_100000689613 [1,1,0,0,0,0|2,0,0]=4 41 B22R2.454515 CCOC(=O)c1sc(nc1C)c2ccc(c(c2)[N+](=O)[O-])O 271570a_100000068227_100000689613 [1,1,0,0,0,0|2,0,0]=4 42 B22R2.454535 CCOC(=O)c1[nH]c(nc1C)c2cccc(c2C)[N+](=O)[O-] 271570a_100000082460_100000700896 [1,1,0,0,0,0|2,0,0]=4 43 B22R2.454535 CCOC(=O)c1[nH]c(nc1C)c2cccc(c2F)[N+](=O)[O-] 271570a_100010193819_100000700896 [1,1,0,0,0,0|2,0,0]=4 44 B22R2.454535 CCOC(=O)c1sc(nc1C)c2cccc(c2C)[N+](=O)[O-] 271570a_100000082460_100000689613 [1,1,0,0,0,0|2,0,0]=4 45 B22R2.454535 CCOC(=O)c1sc(nc1C)c2cccc(c2F)[N+](=O)[O-] 271570a_100010193819_100000689613 [1,1,0,0,0,0|2,0,0]=4 46 B22R2.40466208 CCOC(=O)c1[nH]c(nc1C)c2cc(cc(c2)[N+](=O)[O-])F 271570a_100010392669_100000700896 [1,1,0,0,0,0|2,0,0]=4 47 B22R2.40466208 CCOC(=O)c1[nH]c(nc1C)c2cc(cc(c2)[N+](=O)[O-])N 271570a_100010177510_100000700896 [1,1,0,0,0,0|2,0,0]=4 48 B22R2.40466208 CCOC(=O)c1sc(nc1C)c2cc(cc(c2)[N+](=O)[O-])F 271570a_100010392669_100000689613 [1,1,0,0,0,0|2,0,0]=4 49 B22R2.40466208 CCOC(=O)c1sc(nc1C)c2cc(cc(c2)[N+](=O)[O-])N 271570a_100010177510_100000689613 [1,1,0,0,0,0|2,0,0]=4 50 B24R2.111480868 CCOC(=O)c1cc(c(nc1C)c2cccc(c2)[N+](=O)[O-])C#N 271570a_100000744860_100009994209 [0,1,0,0,0,1|1,0,1]=4 51 B24R2.107995031 CCOC(=O)c1c(nc(nc1SC)c2cccc(c2)[N+](=O)[O-])C 271570a_100000744860_200161106645 [0,1,0,0,0,1|1,0,0]=3 52 B24R2.107995031 CCOC(=O)c1c(nc(nc1SC)c2cncc(c2)[N+](=O)[O-])C 271570a_100010253253_200161106645 [0,1,0,0,0,1|2,0,0]=4 53 B24R2.107995264 CCOC(=O)c1c(nc(nc1C)c2cc(ccc2C)[N+](=O)[O-])C 271570a_100000041892_100010725493 [0,1,0,0,0,1|1,0,0]=3 54 B24R2.107995264 CCOC(=O)c1c(nc(nc1C)c2cc(ccc2Cl)[N+](=O)[O-])C 271570a_100000067309_100010725493 [0,1,0,0,0,1|1,0,0]=3 55 B24R2.107995264 CCOC(=O)c1c(nc(nc1C)c2cc(ccc2F)[N+](=O)[O-])C 271570a_100000067040_100010725493 [0,1,0,0,0,1|1,0,0]=3 56 B24R2.107995264 CCOC(=O)c1c(nc(nc1C)c2cc(cnc2C)[N+](=O)[O-])C 271570a_100010175307_100010725493 [0,1,0,0,0,1|2,0,0]=4 57 B24R2.466808266 CCOC(=O)c1c(nc(nc1C)c2ccc(c(c2)[N+](=O)[O-])Br)C 271570a_100009813761_100010725493 [0,1,0,0,0,1|1,0,0]=3 58 B24R2.466808266 CCOC(=O)c1c(nc(nc1C)c2ccc(c(c2)[N+](=O)[O-])C)C 271570a_100000741299_100010725493 [0,1,0,0,0,1|1,0,0]=3 59 B24R2.466808266 CCOC(=O)c1c(nc(nc1C)c2ccc(c(c2)[N+](=O)[O-])Cl)C 271570a_100000041744_100010725493 [0,1,0,0,0,1|1,0,0]=3 60 B24R2.466808266 CCOC(=O)c1c(nc(nc1C)c2ccc(c(c2)[N+](=O)[O-])F)C 271570a_100010141015_100010725493 [0,1,0,0,0,1|1,0,0]=3 61 B24R2.466808266 CCOC(=O)c1c(nc(nc1C)c2ccc(c(c2)[N+](=O)[O-])N)C 271570a_100010175889_100010725493 [0,1,0,0,0,1|1,0,0]=3 62 B24R2.466808266 CCOC(=O)c1c(nc(nc1C)c2ccc(c(c2)[N+](=O)[O-])O)C 271570a_100000068227_100010725493 [0,1,0,0,0,1|1,0,0]=3 63 B24R2.466808307 CCOC(=O)c1c(nc(nc1C)c2cccc(c2C)[N+](=O)[O-])C 271570a_100000082460_100010725493 [0,1,0,0,0,1|1,0,0]=3 64 B24R2.466808307 CCOC(=O)c1c(nc(nc1C)c2cccc(c2F)[N+](=O)[O-])C 271570a_100010193819_100010725493 [0,1,0,0,0,1|1,0,0]=3 65 B24R2.1497035806 CCOC(=O)c1c(nc(nc1C)c2cc(cc(c2)[N+](=O)[O-])F)C 271570a_100010392669_100010725493 [0,1,0,0,0,1|1,0,0]=3 66 B24R2.1497035806 CCOC(=O)c1c(nc(nc1C)c2cc(cc(c2)[N+](=O)[O-])N)C 271570a_100010177510_100010725493 [0,1,0,0,0,1|1,0,0]=3 67 B24R2.110998982 CCOC(=O)c1cc(nc(c1C#N)c2cccc(c2)[N+](=O)[O-])C 271570a_100000744860_100000040746 [0,1,0,0,0,1|1,0,1]=4 68 B22R2.21146 CCOC(=O)c1ccnc(c1C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100000080207 [0,0,1,1,0,0|1,0,1]=4 69 B22R2.466696 CCOC(=O)C1CCCC1=NNc2cccc(c2)[N+](=O)[O-] 4a_103437854219_100000183750 [0,0,1,1,0,0|0,0,2]=4 70 B22R2.7470288 CCOC(=O)c1ccc(nc1C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100000106303 [0,0,1,1,0,0|1,0,1]=4 71 B22R2.7470288 CCOC(=O)c1cnc(nc1C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100000693866 [0,0,1,1,0,0|2,0,0]=4 72 B22R2.7526426 CCOC(=O)C1(CC1)C(=NNc2cccc(c2)[N+](=O)[O-])C 4a_103437854219_100012179076 [0,0,1,1,0,0|0,0,2]=4 73 B22R2.20590 CCOC(=O)c1cc(cc(n1)C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100010743377 [1,0,0,0,0,1|2,0,0]=4 74 B22R2.20590 CCOC(=O)c1cc(nc(c1)c2cccc(c2)[N+](=O)[O-])C 271570a_100000744860_100011830423 [1,0,0,0,0,1|1,0,0]=3 75 B22R2.20590 CCOC(=O)c1cc(nc(c1)c2cncc(c2)[N+](=O)[O-])C 271570a_100010253253_100011830423 [1,0,0,0,0,1|2,0,0]=4 76 B22R2.20590 CCOC(=O)c1cc(nc(n1)C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100010080588 [1,0,0,0,0,1|1,0,0]=3 77 B22R2.20590 CCOC(=O)c1cc(nc(n1)C)c2cncc(c2)[N+](=O)[O-] 271570a_100010253253_100010080588 [1,0,0,0,0,1|2,0,0]=4 78 B22R2.20590 CCOC(=O)c1cc(nc(n1)c2cccc(c2)[N+](=O)[O-])C 271570a_100000744860_100011219489 [1,0,0,0,0,1|2,0,0]=4 79 B22R2.449318 CCOC(=O)c1cc(ccc1C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100012360117 [1,0,0,0,0,1|2,0,0]=4 80 B22R2.449318 CCOC(=O)c1cc(cnc1C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100012232392 [1,0,0,0,0,1|1,0,0]=3 81 B22R2.449318 CCOC(=O)c1cc(cnc1C)c2cncc(c2)[N+](=O)[O-] 271570a_100010253253_100012232392 [1,0,0,0,0,1|2,0,0]=4 82 B22R2.449318 CCOC(=O)c1cc(cnc1F)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_200010189675 [1,0,0,0,0,1|2,0,0]=4 83 B22R2.449318 CCOC(=O)c1cc(cnc1N)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100009816981 [1,0,0,0,0,1|2,0,0]=4 84 B22R2.449318 CCOC(=O)c1cc(cnc1O)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100010189763 [1,0,0,0,0,1|2,0,0]=4 85 B22R2.449318 CCOC(=O)c1cc(n[nH]c1=O)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100015715099 [1,0,0,0,0,1|2,0,0]=4 86 B22R2.449318 CCOC(=O)c1cc(ncc1C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100000083727 [1,0,0,0,0,1|1,0,0]=3 87 B22R2.449318 CCOC(=O)c1cc(ncc1C)c2cncc(c2)[N+](=O)[O-] 271570a_100010253253_100000083727 [1,0,0,0,0,1|2,0,0]=4 88 B22R2.449318 CCOC(=O)c1cc(ncc1F)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100010189748 [1,0,0,0,0,1|2,0,0]=4 89 B22R2.449318 CCOC(=O)c1cc(ncc1N)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100010759034 [1,0,0,0,0,1|2,0,0]=4 90 B22R2.449318 CCOC(=O)c1cc(nnc1N)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100010587492 [1,0,0,0,0,1|2,0,0]=4 91 B22R2.454862 CCOC(=O)c1sc(nc1C)Nc2cccc(c2)[N+](=O)[O-] 27a_100000184103_100000689613 [1,0,0,0,0,1|2,0,0]=4 92 B22R2.465989 CCOC(=O)c1ccc(c(c1)C)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100012229600 [1,0,0,0,0,1|2,0,0]=4 93 B22R2.465989 CCOC(=O)c1cnc(c(c1)O)c2cccc(c2)[N+](=O)[O-] 271570a_100000744860_100010179890 [1,0,0,0,0,1|2,0,0]=4 94 B22R2.39950813 CCOC(=O)c1c(nc(nc1C)c2cccc(c2)C=O)C 271570a_100000039908_100010725493 [1,0,0,0,0,1|2,0,0]=4 95 B22R2.8516805 COC(=O)c1c(ccc(c1C)c2cccc(c2)[N+](=O)[O-])C 271570a_100000744860_100016100700 [1,0,0,0,0,1|2,0,0]=4 96 B22R2.44804816 COC(=O)c1c(cc(cc1C)c2cccc(c2)[N+](=O)[O-])C 271570a_100000744860_100009831683 [1,0,0,0,0,1|2,0,0]=4 97 B22R2.44804816 COC(=O)c1c(cc(nc1C)c2cccc(c2)[N+](=O)[O-])C 271570a_100000744860_100009881562 [1,0,0,0,0,1|1,0,0]=3 98 B22R2.44804816 COC(=O)c1c(cc(nc1C)c2cncc(c2)[N+](=O)[O-])C 271570a_100010253253_100009881562 [1,0,0,0,0,1|2,0,0]=4 99 B24R2.107995091 CCOC(=O)c1c(nc(nc1C)Nc2cccc(c2)[N+](=O)[O-])C 27a_100000184103_100010725493 [0,0,0,0,0,2|1,0,0]=3