0 B15R2.14628 CC1=C2N=CC=CC2=C(C=C1)B(O)O Z1198165518 [0,0,0,0,0,0|2,0,2]=4 1 B15R2.14628 CC1=C2N=CC=CC2=C(C=C1)C(=O)O Z3676767355 [0,0,0,0,0,0|2,0,1]=3 2 B15R2.14628 CN(C)C1=C2C=CC=CC2=C(C=C1)O Z2670848041 [0,0,0,0,0,0|3,0,1]=4 3 B15R2.14628 NC(=O)C1=C2C=CC=CC2=C(C=C1)O Z1617993893 [0,0,0,0,0,0|3,0,0]=3 4 B15R2.14628 NC1=C2C=CC=NC2=C(C=C1)[N+](=O)[O-] Z57745155 [0,0,0,0,0,0|3,0,0]=3 5 B15R2.14628 NC1=C2C=CN=CC2=C(C=C1)[N+](=O)[O-] Z424799674 [0,0,0,0,0,0|3,0,0]=3 6 B15R2.14628 NC1=C2C=NC=CC2=C(C=C1)[N+](=O)[O-] Z57745158 [0,0,0,0,0,0|3,0,0]=3 7 B15R2.14628 NC1=C2N=CC=CC2=C(C=C1)C(=O)O Z3214083076 [0,0,0,0,0,0|2,0,1]=3 8 B15R2.14628 O=C(O)C1=C2C=CC=CC2=C(C=C1)Cl Z1269109308 [0,0,0,0,0,0|3,0,1]=4 9 B15R2.14628 O=C(O)C1=C2C=CC=CC2=C(C=C1)F Z57188757 [0,0,0,0,0,0|3,0,1]=4 10 B15R2.14628 O=C(O)C1=C2C=CC=CC2=C(C=C1)O Z1198150516 [0,0,0,0,0,0|2,0,1]=3 11 B15R2.14628 O=C(O)C1=C2C=CC=NC2=C(C=C1)Cl Z1508940587 [0,0,0,0,0,0|2,0,1]=3 12 B15R2.14628 O=C(O)C1=C2C=CC=NC2=C(C=C1)F Z5454824390 [0,0,0,0,0,0|2,0,1]=3 13 B15R2.14628 O=C(O)C1=C2C=CC=NC2=C(C=C1)O Z1255461048 [0,0,0,0,0,0|1,0,1]=2 14 B15R2.14628 O=C(O)C1=C2C=CC=NC2=C(N=C1)O Z3013504523 [0,0,0,0,0,0|2,0,1]=3 15 B15R2.14628 O=C1NC=C(C2=C1C=NC=C2)[N+](=O)[O-] Z3991579170 [0,0,0,0,0,0|3,0,1]=4 16 B15R2.14628 O=[N+]([O-])C1=C2C=CC=CC2=C(C=C1)O Z1147461131 [0,0,0,0,0,0|1,0,0]=1 17 B15R2.14628 O=[N+]([O-])C1=C2C=CC=CC2=[N+](C=C1)[O-] Z1255430993 [0,0,0,0,0,0|2,0,1]=3 18 B15R2.14628 O=[N+]([O-])C1=C2C=CC=NC2=C(C=C1)Cl Z235362951 [0,0,0,0,0,0|1,0,0]=1 19 B15R2.14628 O=[N+]([O-])C1=C2C=CC=NC2=C(C=C1)F Z235347017 [0,0,0,0,0,0|1,0,0]=1 20 B15R2.14628 O=[N+]([O-])C1=C2C=CC=NC2=C(C=C1)O Z56922155 [0,0,0,0,0,0|0,0,0]=0 21 B15R2.14628 O=[N+]([O-])C1=C2C=NC=CC2=C(C=C1)Br Z55993019 [0,0,0,0,0,0|3,0,0]=3 22 B15R2.14628 O=[N+]([O-])C1=C2N=CC=CC2=C(C=C1)Cl Z90120419 [0,0,0,0,0,0|3,0,0]=3 23 B15R2.14628 O=[N+]([O-])C1=C2N=CC=CC2=C(C=C1)O Z57745162 [0,0,0,0,0,0|2,0,0]=2 24 B14R2.1131 CC1=C2C=CC=CC2=C(C=C1)C=O Z57887836 [1,0,0,0,0,0|3,0,0]=4 25 B14R2.1131 CNC1=C2C=CC=NC2=C(C=C1)Cl Z4405726147 [1,0,0,0,0,0|2,0,1]=4 26 B14R2.1131 CNC1=C2C=CC=NC2=C(C=C1)F Z4773828491 [1,0,0,0,0,0|2,0,1]=4 27 B14R2.1131 COC1=C2C=CC=NC2=C(C=C1)N Z364003430 [1,0,0,0,0,0|3,0,0]=4 28 B14R2.1131 N#CC1=C2C=CC=CC2=C(C=C1)O Z1255418329 [1,0,0,0,0,0|3,0,0]=4 29 B14R2.1131 NCC1=C2C=CC=NC2=C(C=C1)O Z2240999308 [1,0,0,0,0,0|2,0,0]=3 30 B14R2.1131 O=CC1=C2C=CC=CC2=C(C=C1)F Z1162445938 [1,0,0,0,0,0|3,0,0]=4 31 B14R2.1131 O=CC1=C2C=CC=NC2=C(C=C1)Br Z1269154497 [1,0,0,0,0,0|2,0,0]=3 32 B14R2.1131 O=CC1=C2C=CC=NC2=C(C=C1)F Z2313099333 [1,0,0,0,0,0|2,0,0]=3 33 B14R2.1131 O=NC1=C2C=CC=NC2=C(C=C1)O Z56922102 [1,0,0,0,0,0|0,0,1]=2 34 B14R2.1131 OCC1=C2C=CC=NC2=C(C=C1)Br Z2181926732 [1,0,0,0,0,0|2,0,1]=4 35 B14R2.1131 OCC1=C2C=CC=NC2=C(C=C1)F Z3797237514 [1,0,0,0,0,0|2,0,1]=4 36 B14R2.31359 CC(=O)C1=C2C=CC=CC2=CC=C1 Z104473080 [1,0,0,0,0,0|3,0,0]=4 37 B14R2.31359 NC(=O)C1=C2C=CC=CC2=CC=C1 Z33546921 [1,0,0,0,0,0|3,0,0]=4 38 B14R2.31359 NC(=O)C1=C2C=CC=NC2=CC=C1 Z241898556 [1,0,0,0,0,0|2,0,0]=3 39 B14R2.31359 O=C(O)C1=C2N=CC=NC2=CC=C1 Z1201621887 [1,0,0,0,0,0|2,0,1]=4 40 B14R2.31359 O=C([O-])C1=C2N=CC=NC2=NC=C1 Z3215423696 [1,0,0,0,0,0|3,0,0]=4 41 B14R2.31359 O=[N+]([O-])C1=C2C=CC=NC2=CC=C1 Z56911975 [1,0,0,0,0,0|0,0,0]=1 42 B14R2.31359 O=[N+]([O-])C1=C2C=NN=CC2=CC=C1 Z1198176685 [1,0,0,0,0,0|3,0,0]=4 43 B14R2.31359 O=[N+]([O-])C1=C2N=CC=CC2=CC=C1 Z57160147 [1,0,0,0,0,0|2,0,0]=3 44 B16R2.23332 O=C(O)C1=C2C=CC=NC2=C(C=C1Cl)Cl Z1862025537 [0,1,0,0,0,0|2,0,1]=4 45 B16R2.24415 CC1=C2N=CC=CC2=C(C=C1)S(=O)(=O)F Z2738688450 [0,1,0,0,0,0|2,0,1]=4 46 B16R2.24415 CC1=C2N=CC=CC2=C(C=C1)S(=O)(=O)N Z57824511 [0,1,0,0,0,0|2,0,1]=4 47 B16R2.24415 NS(=O)(=O)C1=C2C=CC=NC2=C(C=C1)F Z394672496 [0,1,0,0,0,0|2,0,1]=4 48 B16R2.33942 COC(=O)C1=C2C=CC=NC2=C(C=C1)C Z2894089896 [0,1,0,0,0,0|2,0,1]=4 49 B16R2.39178 COC1=C2C=CC=CC2=C(C=C1)C(=O)C Z57050140 [0,1,0,0,0,0|3,0,0]=4 50 B16R2.39178 COC1=C2C=CC=CC2=C(C=C1)C(=O)O Z89264983 [0,1,0,0,0,0|2,0,1]=4 51 B16R2.39178 COC1=C2C=CC=CC2=C(C=C1)[N+](=O)[O-] Z1401082072 [0,1,0,0,0,0|1,0,0]=2 52 B16R2.39178 COC1=C2N=CC=CC2=C(C=C1)[N+](=O)[O-] Z235362801 [0,1,0,0,0,0|0,0,0]=1 53 B16R2.39178 N#CC1=C2C=CC=NC2=C(C=C1)[N+](=O)[O-] Z3074473365 [0,1,0,0,0,0|3,0,0]=4 54 B16R2.39178 O=CC1=C2N=CC=CC2=C(C=C1)[N+](=O)[O-] Z1184876038 [0,1,0,0,0,0|0,0,1]=2 55 B14R2.8653 NC1=CC=C(C2=NON=C12)[N+](=O)[O-] Z425849570 [0,0,0,0,1,0|3,0,0]=4 56 B14R2.8653 O=[N+]([O-])C1=CC=C(C2=NON=C12)F Z1255431019 [0,0,0,0,1,0|3,0,0]=4 57 B16R2.24414 CC(=O)NC1=C2C=CC=NC2=C(C=C1)Cl Z288630230 [0,0,0,0,0,1|3,0,0]=4 58 B16R2.24414 O=C(O)CC1=C2C=CC=CC2=C(C=C1)O Z1508927484 [0,0,0,0,0,1|2,0,1]=4 59 B13R1.354 C=CCC1=C(C=CC(=C1)[N+](=O)[O-])O Z85935095 [1,0,1,0,0,0|0,0,1]=3 60 B13R1.568 O=C/C=C/C1=CC=CC(=C1)[N+](=O)[O-] Z1198151305 [1,0,1,0,0,0|2,0,0]=4 61 B13R1.572 O=C/C=C/C1=C(C=CC=C1)[N+](=O)[O-] Z2311719610 [1,0,1,0,0,0|1,0,0]=3 62 B13R1.572 O=[N+]([O-])C1=C(C=CC=C1)/C=C/CO Z1198223850 [1,0,1,0,0,0|1,0,1]=4 63 B13R1.3230 O=CC1=C(C=CC(=C1Cl)[N+](=O)[O-])O Z1416289185 [1,0,1,0,0,0|2,0,0]=4 64 B13R2.371 BrC1=C2C=CC=NC2=C(C=C1)Br Z1269177788 [2,0,0,0,0,0|2,0,0]=4 65 B13R2.371 CC1=C2C=CC=CC2=C(C=C1)O Z1198149533 [2,0,0,0,0,0|2,0,0]=4 66 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Br Z1269109056 [2,0,0,0,0,0|2,0,0]=4 67 B13R2.371 CC1=C2C=CC=NC2=C(C=C1)Cl Z1198313808 [2,0,0,0,0,0|2,0,0]=4 68 B13R2.371 CC1=C2N=CC=CC2=C(C=C1)Br Z1269173059 [2,0,0,0,0,0|2,0,0]=4 69 B13R2.371 CC1=C2N=CC=CC2=C(C=C1)Cl Z600615482 [2,0,0,0,0,0|2,0,0]=4 70 B13R2.371 CC1=C2N=CC=CC2=C(C=C1)F Z295461060 [2,0,0,0,0,0|2,0,0]=4 71 B13R2.371 CC1=C2N=CC=CC2=C(C=C1)N Z235363163 [2,0,0,0,0,0|1,0,1]=4 72 B13R2.371 ClC1=C2C=CC=NC2=C(C=C1)Cl Z1198233817 [2,0,0,0,0,0|2,0,0]=4 73 B13R2.371 FC1=C2C=CC=NC2=C(C=C1)F Z1198159211 [2,0,0,0,0,0|2,0,0]=4 74 B13R2.371 FC1=C2N=CC=CC2=C(C=C1)Br Z1269169139 [2,0,0,0,0,0|2,0,0]=4 75 B13R2.371 NC1=C2C=CC=CC2=C(C=C1)O Z104442670 [2,0,0,0,0,0|1,0,1]=4 76 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)Br Z1269137652 [2,0,0,0,0,0|1,0,1]=4 77 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)Cl Z425387626 [2,0,0,0,0,0|1,0,1]=4 78 B13R2.371 NC1=C2C=CC=NC2=C(C=C1)F Z4512595821 [2,0,0,0,0,0|1,0,1]=4 79 B13R2.371 NC1=C2N=CC=CC2=C(C=C1)Cl Z235362213 [2,0,0,0,0,0|2,0,0]=4 80 B13R2.371 O=C1C=CC(=O)C2=C1C=CC=C2 Z104494806 [2,0,0,0,0,0|1,0,1]=4 81 B13R2.371 O=C1NC=C(C2=C1C=CC=C2)O Z276119362 [2,0,0,0,0,0|2,0,0]=4 82 B13R2.371 O=C1NC=C(C2=C1C=CC=N2)Br Z1269193248 [2,0,0,0,0,0|2,0,0]=4 83 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Br Z57204184 [2,0,0,0,0,0|2,0,0]=4 84 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)Cl Z104477546 [2,0,0,0,0,0|2,0,0]=4 85 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)F Z1198279754 [2,0,0,0,0,0|2,0,0]=4 86 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)O Z815299402 [2,0,0,0,0,0|1,0,1]=4 87 B13R2.371 OC1=C2C=CC=CC2=C(C=C1)S Z1251357608 [2,0,0,0,0,0|1,1,0]=4 88 B13R2.371 OC1=C2C=CC=NC2=C(C=C1)Br Z1269190754 [2,0,0,0,0,0|1,0,1]=4 89 B13R2.371 OC1=C2N=CC=CC2=C(C=C1)Cl Z1954804579 [2,0,0,0,0,0|1,0,0]=3 90 B13R2.371 OC1=C2N=CC=CC2=C(C=C1)F Z2432833925 [2,0,0,0,0,0|1,0,0]=3 91 B13R2.1613 CNC1=C2C=CC=NC2=CC=C1 Z1082871174 [2,0,0,0,0,0|1,0,1]=4 92 B13R2.1613 COC1=C2C=CC=NC2=CC=C1 Z1198161023 [2,0,0,0,0,0|2,0,0]=4 93 B13R2.1613 N#CC1=C2C=CC=NC2=CC=C1 Z1079179178 [2,0,0,0,0,0|2,0,0]=4 94 B13R2.1613 O=CC1=C2C=CC=CC2=CC=C1 Z104472874 [2,0,0,0,0,0|2,0,0]=4 95 B13R2.1613 O=CC1=C2C=CC=NC2=CC=C1 Z1079442760 [2,0,0,0,0,0|1,0,0]=3 96 B13R2.1613 OCC1=C2C=CC=NC2=CC=C1 Z1021448144 [2,0,0,0,0,0|1,0,1]=4 97 B15R2.22222 COC1=C2C=CC=CC2=C(C=C1)C=O Z337707762 [1,1,0,0,0,0|2,0,0]=4 98 B15R2.384 CC1=NC2=C(C=C1)C(=CC=C2)[N+](=O)[O-] Z56877835 [1,1,0,0,0,0|0,0,0]=2 99 B15R2.384 O=C(O)C1=C2C=CC(=NC2=CC=C1)O Z1198334221 [1,1,0,0,0,0|1,0,1]=4 100 B15R2.384 O=C1C=CC2=C(C=CC=C2N1)[N+](=O)[O-] Z1198313507 [1,1,0,0,0,0|0,0,1]=3 101 B15R2.384 O=[N+]([O-])C1=C2N=CC(=CC2=CC=C1)Br Z1269231237 [1,1,0,0,0,0|2,0,0]=4 102 B15R2.384 O=[N+]([O-])C1=C2N=CC(=CC2=CC=C1)I Z1203154546 [1,1,0,0,0,0|2,0,0]=4 103 B15R2.988 O=[N+]([O-])C1=C2N=CC=CC2=CC(=C1)Cl Z235362839 [1,1,0,0,0,0|2,0,0]=4 104 B15R2.988 O=[N+]([O-])C1=CC(=CC2=C1C=CC=C2)O Z1255437587 [1,1,0,0,0,0|1,0,0]=3 105 B15R2.1162 CC1=C(C2=C(C=C1)C=NC=C2)[N+](=O)[O-] Z1255424584 [1,1,0,0,0,0|2,0,0]=4 106 B15R2.1162 CC1=C(C2=C(C=C1)N=CC=C2)C(=O)O Z1504679627 [1,1,0,0,0,0|1,0,1]=4 107 B15R2.1162 O=[N+]([O-])C1=C(C=CC2=C1C=CN=C2)O Z5001730167 [1,1,0,0,0,0|2,0,0]=4 108 B15R2.1162 O=[N+]([O-])C1=C2C=CC=NC2=CC=C1Cl Z432085074 [1,1,0,0,0,0|0,0,0]=2 109 B15R2.7268 CC1=CC2=C(C=CC=C2C(=O)O)N=C1 Z1216843142 [1,1,0,0,0,0|1,0,1]=4 110 B15R2.7268 CC1=NC2=C(C=CC=C2[N+](=O)[O-])C=C1 Z56862724 [1,1,0,0,0,0|2,0,0]=4 111 B15R2.7268 CC1=NC=C2C=CC=C(C2=C1)[N+](=O)[O-] Z1198313804 [1,1,0,0,0,0|2,0,0]=4 112 B15R2.13611 C[N+]1=C2C=CC=C(C2=CC=C1)[N+](=O)[O-] Z2307310801 [1,1,0,0,0,0|0,0,1]=3 113 B15R2.13611 NC1=C2C=CC=C(C2=CC=N1)[N+](=O)[O-] Z2509351092 [1,1,0,0,0,0|2,0,0]=4 114 B15R2.13611 O=C1NC=CC2=C(C=CC=C12)[N+](=O)[O-] Z1198152453 [1,1,0,0,0,0|2,0,0]=4 115 B15R2.13611 O=[N+]([O-])C1=C2C=CC=C(C2=CC=C1)Br Z56833039 [1,1,0,0,0,0|1,0,0]=3 116 B15R2.61345 NC1=C2C(=CC=C1)C=CC=C2C(=O)[O-] Z3241278106 [1,1,0,0,0,0|2,0,0]=4 117 B15R2.61345 O=[N+]([O-])C1=C2C(=CC=C1)N=CN=C2Cl Z1269233053 [1,1,0,0,0,0|1,0,0]=3 118 B15R2.61345 O=[N+]([O-])C1=CC=CC2=NC=NC(=C12)O Z1255443577 [1,1,0,0,0,0|1,0,0]=3 119 B15R2.79765 COC(=O)C1=C2C=CC=NC2=CC=C1 Z237523058 [1,1,0,0,0,0|1,0,1]=4 120 B15R2.109477 O=S(=O)(F)C1=C2C=CC=NC2=CC=C1 Z2738688444 [1,1,0,0,0,0|1,0,1]=4 121 B17R2.67162 COC1=C2N=CC=CC2=C(C=C1)NC(=O)C Z812104230 [0,1,0,0,0,1|2,0,0]=4 122 B17R2.67164 COC1=C2N=CC=CC2=C(C=C1)S(=O)(=O)N Z385451140 [0,2,0,0,0,0|1,0,1]=4 123 B17R2.292580 O=C(O)C1=C2N=CC=CC2=C(C=C1)[N+](=O)[O-] Z1184876041 [0,2,0,0,0,0|0,0,0]=2 124 B15R2.59 O=C(O)C1=CC=C(O1)C2=NC=CC=C2 Z4657508725 [0,0,1,1,0,0|1,0,1]=4 125 B15R2.1760 O=CC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-] Z2235389979 [0,0,1,1,0,0|1,0,0]=3 126 B15R2.7180 O=C1C=CC2=C(O1)C=CC(=C2)[N+](=O)[O-] Z56754501 [0,0,1,1,0,0|2,0,0]=4 127 B15R2.7180 O=[N+]([O-])C1=CC2=C(C=C1)N=C(C=N2)Cl Z1258932124 [0,0,1,1,0,0|2,0,0]=4 128 B15R2.627 NC1=C2N=CC=CC2=CC=C1[N+](=O)[O-] Z3300776524 [0,0,1,1,0,0|2,0,0]=4 129 B15R2.61353 O=[N+]([O-])C1=CC2=C(N=CC=C2C=C1)O Z2306624620 [0,0,1,1,0,0|2,0,0]=4 130 B13R2.72 O=[N+]([O-])C1=CNC2=C1C=CC=N2 Z1255431846 [1,0,0,0,1,0|1,0,0]=3 131 B13R2.5569 O=[N+]([O-])C1=C2C=CNC2=CC=C1 Z1203017344 [1,0,0,0,1,0|0,0,1]=3 132 B13R2.5569 O=[N+]([O-])C1=C2C=NNC2=CC=C1 Z381673564 [1,0,0,0,1,0|1,0,1]=4 133 B13R2.5569 O=[N+]([O-])C1=C2NC=CC2=CC=C1 Z1255382963 [1,0,0,0,1,0|1,0,0]=3 134 B13R2.5569 O=[N+]([O-])C1=C2NN=CC2=CC=C1 Z381673562 [1,0,0,0,1,0|2,0,0]=4 135 B13R2.5569 O=[N+]([O-])C1=CC=CC2=NSN=C12 Z104500916 [1,0,0,0,1,0|2,0,0]=4 136 B15R2.68122 CC(=O)NC1=C2C=CC=NC2=CC=C1 Z29904113 [1,0,0,0,0,1|2,0,0]=4 137 B15R2.68122 O=C(O)CC1=C2C=CC=NC2=CC=C1 Z1198264558 [1,0,0,0,0,1|1,0,1]=4