0 B14R1.419 B(C1=CC=C(C=C1)C=CC(=O)O)(O)O E181840 [0,0,0,0,0,0|1,0,2]=3 1 B14R1.419 C1=CC(=CC=C1C=CC(=O)Cl)[N+](=O)[O-] T337492 [0,0,0,0,0,0|1,0,0]=1 2 B14R1.419 C1=CC(=CC=C1C=CC(=O)O)C(=O)O C191866 [0,0,0,0,0,0|1,0,1]=2 3 B14R1.419 C1=CC(=CC=C1C=CC(=O)O)[N+](=O)[O-] N100642 [0,0,0,0,0,0|0,0,0]=0 4 B14R1.419 C1=CC(=CC=C1CCC(=O)O)C(=O)O C153555 [0,0,0,0,0,0|1,0,3]=4 5 B14R1.419 C1=CC(=CC=C1CCC(=O)O)[N+](=O)[O-] N158949 [0,0,0,0,0,0|0,0,2]=2 6 B14R1.419 C1=CC(=CC=C1COC(=O)Cl)[N+](=O)[O-] N111115 [0,0,0,0,0,0|2,0,1]=3 7 B14R1.419 C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)O N131808 [0,0,0,0,0,0|1,0,1]=2 8 B14R1.419 CC(=O)C1=CC=C(C=C1)OCC(=O)O A151279 [0,0,0,0,0,0|3,0,1]=4 9 B14R1.419 CC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-] N588821 [0,0,0,0,0,0|1,0,0]=1 10 B14R1.419 CC(=O)OCC1=CC=C(C=C1)[N+](=O)[O-] N159809 [0,0,0,0,0,0|2,0,1]=3 11 B14R1.419 CC(C)C1=CC=C(C=C1)C=CC(=O)O I169678 [0,0,0,0,0,0|3,0,0]=3 12 B14R1.419 CC(CCC1=CC=C(C=C1)[N+](=O)[O-])O N588065 [0,0,0,0,0,0|1,0,3]=4 13 B14R1.419 CN(C)C1=CC=C(C=C1)C=CC(=O)O D113440 [0,0,0,0,0,0|2,0,1]=3 14 B13R1.3 C1=CC(=CC=C1C=CC(=O)O)C=O F488499 [1,0,0,0,0,0|1,0,0]=2 15 B13R1.3 C1=CC(=CC=C1C=O)OCC(=O)O F156781 [1,0,0,0,0,0|2,0,1]=4 16 B13R1.3 CC(=O)C=CC1=CC=C(C=C1)OC M355501 [1,0,0,0,0,0|3,0,0]=4 17 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O M100603 [1,0,0,0,0,0|2,0,0]=3 18 B13R1.3 COC1=CC=C(C=C1)C=CC(=O)O M305019 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.74 C1=CC(=CC=C1[N+](=O)[O-])OCCO N346550 [1,0,0,0,0,0|1,0,2]=4 20 B13R1.74 CN(C)C1=CC=C(C=C1)C=CC=O D106343 [1,0,0,0,0,0|2,0,1]=4 21 B15R1.495 C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-] N117089 [0,1,0,0,0,0|0,0,2]=3 22 B15R1.495 C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-] N117090 [0,1,0,0,0,0|0,0,2]=3 23 B15R1.495 C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-] N117095 [0,1,0,0,0,0|0,0,2]=3 24 B15R1.495 C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-] N139482 [0,1,0,0,0,0|0,0,2]=3 25 B15R1.495 C1=CC(=CC=C1CC(C(=O)O)N)[N+](=O)[O-] N159671 [0,1,0,0,0,0|0,0,2]=3 26 B15R1.498 C1=CC(=CC=C1C=CC(=O)O)C(F)(F)F T101271 [0,1,0,0,0,0|3,0,0]=4 27 B15R1.498 CC(C)(C)C1=CC=C(C=C1)C=CC(=O)O T586599 [0,1,0,0,0,0|3,0,0]=4 28 B15R1.956 B(C1=CC=C(C=C1)C=CC(=O)OC)(O)O E184148 [0,1,0,0,0,0|1,0,2]=4 29 B15R1.956 C1=CC(=CC=C1COC(=O)CBr)[N+](=O)[O-] N167819 [0,1,0,0,0,0|2,0,1]=4 30 B15R2.7174 B(C1=CC2=C(C=C1)C=CC(=O)O2)(O)O B335149 [0,0,0,1,0,0|1,0,2]=4 31 B15R2.7174 C1=CC(=CC2=C1C=CC(=O)N2)C(=O)O O400378 [0,0,0,1,0,0|2,0,1]=4 32 B15R2.7174 C1C(=O)NC2=C(O1)C=CC(=C2)[N+](=O)[O-] N159649 [0,0,0,1,0,0|2,0,1]=4 33 B15R2.67862 C1=CC(=CC2=C1C=CS2(=O)=O)[N+](=O)[O-] S129623 [0,0,0,1,0,0|1,0,1]=3 34 B13R1.585 C1=CC(=CC=C1CC(=O)O)C(=O)O C184804 [0,0,0,0,1,0|1,0,2]=4 35 B13R1.585 C1=CC(=CC=C1CC(=O)O)[N+](=O)[O-] N111420 [0,0,0,0,1,0|0,0,1]=2 36 B13R1.585 C1=CC(=CC=C1CC(=O)[O-])[N+](=O)[O-] S161410 [0,0,0,0,1,0|0,0,2]=3 37 B13R1.585 C1=CC(=CC=C1NC(=O)N)[N+](=O)[O-] N159516 [0,0,0,0,1,0|2,0,0]=3 38 B13R1.585 C1=CC(=CC=C1NC(=S)N)[N+](=O)[O-] N159328 [0,0,0,0,1,0|2,1,0]=4 39 B13R1.585 C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl N159046 [0,0,0,0,1,0|2,0,0]=3 40 B13R1.585 CC(=O)NC1=CC=C(C=C1)S(=O)[O-] A132494 [0,0,0,0,1,0|3,0,0]=4 41 B13R1.585 CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] N159511 [0,0,0,0,1,0|2,0,0]=3 42 B13R1.585 CC(=O)NC1=NC=C(C=C1)[N+](=O)[O-] A151792 [0,0,0,0,1,0|3,0,0]=4 43 B13R1.585 CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] N111060 [0,0,0,0,1,0|2,0,0]=3 44 B15R1.499 CC(=O)OC1=CC=C(C=C1)C=CC(=O)O A181741 [0,0,0,0,0,1|2,0,0]=3 45 B15R1.499 CC(=O)OC1=CC=C(C=C1)C=CC(=O)O T161822 [0,0,0,0,0,1|2,0,0]=3 46 B15R1.1080 C1=CC(=CC=C1CCCC(=O)O)[N+](=O)[O-] N124658 [0,0,0,0,0,1|0,0,2]=3 47 B15R1.1080 CC(=O)NCCC1=CC=C(C=C1)[N+](=O)[O-] N159180 [0,0,0,0,0,1|1,0,2]=4 48 B12R1.21 C1=CC(=CC=C1C=CC(=O)Cl)F F102168 [2,0,0,0,0,0|2,0,0]=4 49 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Br B104888 [2,0,0,0,0,0|1,0,0]=3 50 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)Cl C100659 [2,0,0,0,0,0|1,0,0]=3 51 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)F F101928 [2,0,0,0,0,0|1,0,0]=3 52 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)N A151768 [2,0,0,0,0,0|0,0,1]=3 53 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108514 [2,0,0,0,0,0|0,0,1]=3 54 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C108515 [2,0,0,0,0,0|0,0,1]=3 55 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304525 [2,0,0,0,0,0|0,0,1]=3 56 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304526 [2,0,0,0,0,0|0,0,1]=3 57 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O C304527 [2,0,0,0,0,0|0,0,1]=3 58 B12R1.21 C1=CC(=CC=C1C=CC(=O)O)O P424326 [2,0,0,0,0,0|0,0,1]=3 59 B12R1.21 CC(=O)C=CC1=CC=C(C=C1)O H169513 [2,0,0,0,0,0|1,0,1]=4 60 B12R1.21 CC1=CC=C(C=C1)C=CC(=O)O M100698 [2,0,0,0,0,0|1,0,0]=3 61 B12R1.71 COC1=CC=C(C=C1)C=CC=O T135720 [2,0,0,0,0,0|2,0,0]=4 62 B12R1.113 C1=CC(=CC=C1C=NO)[N+](=O)[O-] N165983 [2,0,0,0,0,0|1,0,0]=3 63 B12R1.113 C1=CC(=CC=C1CCO)[N+](=O)[O-] N159739 [2,0,0,0,0,0|0,0,2]=4 64 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)C=O E136405 [1,1,0,0,0,0|1,0,0]=3 65 B14R1.5 COC(=O)C=CC1=CC=C(C=C1)CBr M188544 [1,1,0,0,0,0|2,0,0]=4 66 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O E588433 [1,1,0,0,0,0|2,0,0]=4 67 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O I115853 [1,1,0,0,0,0|2,0,0]=4 68 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O I131024 [1,1,0,0,0,0|2,0,0]=4 69 B14R1.3653 COC1=C(C=C(C=C1)C=CC(=O)O)O I424601 [1,1,0,0,0,0|2,0,0]=4 70 B14R1.414 C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O N159885 [0,1,0,0,1,0|2,0,0]=4 71 B14R1.414 C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O N330947 [0,1,0,0,1,0|2,0,0]=4 72 B14R1.414 C1=CC(=CC=C1[N+](=O)[O-])OP(=O)(O)O P169613 [0,1,0,0,1,0|2,0,0]=4 73 B14R1.5801 CC1=C(C=CC(=C1)CC(=O)O)[N+](=O)[O-] M167287 [0,1,0,0,1,0|0,0,1]=3 74 B14R1.6402 C1=CC(=CC=C1C(=O)C(=O)O)[N+](=O)[O-] N299927 [0,1,0,0,1,0|0,0,0]=2 75 B14R1.6402 C1=CC(=CC=C1C(=O)C(O)O)[N+](=O)[O-] N303817 [0,1,0,0,1,0|0,0,2]=4 76 B16R1.12326 C1=CC(=CC=C1[N+](=O)[O-])SCC(C(=O)O)N S161427 [0,1,0,0,0,1|0,0,2]=4 77 B16R1.6949 COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])N N136110 [0,2,0,0,0,0|0,0,2]=4 78 B16R1.925 CCOC(=O)C=CC1=CC=C(C=C1)[N+](=O)[O-] E156281 [0,2,0,0,0,0|0,0,0]=2 79 B14R1.676 C1=CC(=C(C=C1[N+](=O)[O-])CC(=O)O)F F182468 [0,0,1,1,0,0|1,0,1]=4 80 B14R1.4450 C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)CC(=O)O C400329 [0,0,1,1,0,0|1,0,1]=4 81 B14R1.4450 CC1=C(C=CC=C1[N+](=O)[O-])CC(=O)O M122962 [0,0,1,1,0,0|0,0,2]=4 82 B14R1.104 COC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O M119342 [0,0,1,1,0,0|1,0,1]=4 83 B14R2.134 C#CC1=CC2=C(C=C1)C=CC(=O)O2 E404402 [1,0,0,1,0,0|2,0,0]=4 84 B14R2.134 COC1=CC2=C(C=C1)C=CC(=O)O2 M158657 [1,0,0,1,0,0|2,0,0]=4 85 B14R2.134 COC1=CC2=C(C=C1)C=CC(=O)O2 M424548 [1,0,0,1,0,0|2,0,0]=4 86 B14R2.781 C1=CC2=C(C=C(C=C2)[N+](=O)[O-])N=C1 N185570 [1,0,0,1,0,0|1,0,0]=3 87 B14R2.781 C1=CC2=C(C=CC(=C2)[N+](=O)[O-])N=C1 N122687 [1,0,0,1,0,0|2,0,0]=4 88 B14R2.781 C1=CC2=NC=CN=C2C=C1[N+](=O)[O-] N463418 [1,0,0,1,0,0|2,0,0]=4 89 B14R2.781 C1=CC=C2C=C(C=CC2=C1)C(=O)[O-] N283359 [1,0,0,1,0,0|2,0,0]=4 90 B14R2.24358 C1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O1 N139076 [1,0,0,1,0,0|1,0,1]=4 91 B14R2.24358 C1CC(=O)C2=C1C=CC(=C2)[N+](=O)[O-] N588387 [1,0,0,1,0,0|0,0,2]=4 92 B14R2.601 C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)N2 N195949 [0,0,0,1,1,0|2,0,0]=4 93 B14R2.601 C1=CC2=C(C=C1[N+](=O)[O-])OC(=O)N2 N184655 [0,0,0,1,1,0|1,0,0]=3 94 B14R2.601 C1=CC2=C(C=C1[N+](=O)[O-])SC(=O)N2 N122468 [0,0,0,1,1,0|1,1,0]=4 95 B14R2.601 C1C2=C(C=CC(=C2)[N+](=O)[O-])NC1=O N124830 [0,0,0,1,1,0|2,0,0]=4 96 B14R2.601 CC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-] M185267 [0,0,0,1,1,0|2,0,0]=4 97 B16R2.2827 C1=CC(=CC=C1C2=CSC(=N2)N)[N+](=O)[O-] A468104 [0,0,0,1,0,1|2,0,0]=4 98 B16R2.27395 C1=CC2=C(C=C1[N+](=O)[O-])C=C(N2)C(=O)O N191420 [0,1,0,1,0,0|1,0,0]=3 99 B16R2.27395 C1=CC2=C(C=C1[N+](=O)[O-])C=C(O2)C(=O)O N165513 [0,1,0,1,0,0|1,0,0]=3 100 B16R2.11974 C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])O S161176 [0,1,0,1,0,0|2,0,0]=4 101 B16R2.26103 C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)NC2=O N182107 [0,1,0,1,0,0|2,0,0]=4 102 B16R2.26103 C1=CC2=C(C=C1[N+](=O)[O-])NC(=O)OC2=O N194328 [0,1,0,1,0,0|2,0,0]=4 103 B12R1.256 B(C1=CC=C(C=C1)[N+](=O)[O-])(O)O N136136 [0,0,0,0,2,0|1,0,1]=4 104 B12R1.256 C1=CC(=CC=C1C(=N)N)[N+](=O)[O-] N159244 [0,0,0,0,2,0|2,0,0]=4 105 B12R1.256 C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-] N106144 [0,0,0,0,2,0|1,0,0]=3 106 B12R1.256 C1=CC(=CC=C1C(=O)Cl)[N+](=O)[O-] N106145 [0,0,0,0,2,0|1,0,0]=3 107 B12R1.256 C1=CC(=CC=C1C(=O)N)C(=O)O T162190 [0,0,0,0,2,0|2,0,0]=4 108 B12R1.256 C1=CC(=CC=C1C(=O)N)[N+](=O)[O-] N108472 [0,0,0,0,2,0|1,0,0]=3 109 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P108506 [0,0,0,0,2,0|1,0,1]=4 110 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P303203 [0,0,0,0,2,0|1,0,1]=4 111 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P303204 [0,0,0,0,2,0|1,0,1]=4 112 B12R1.256 C1=CC(=CC=C1C(=O)O)C(=O)O P420255 [0,0,0,0,2,0|1,0,1]=4 113 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N104356 [0,0,0,0,2,0|0,0,0]=2 114 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N104357 [0,0,0,0,2,0|0,0,0]=2 115 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N119544 [0,0,0,0,2,0|0,0,0]=2 116 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N305342 [0,0,0,0,2,0|0,0,0]=2 117 B12R1.256 C1=CC(=CC=C1C(=O)O)[N+](=O)[O-] N433134 [0,0,0,0,2,0|0,0,0]=2 118 B12R1.256 C1=CC(=CC=C1C(=O)[O-])C(=O)[O-] D154279 [0,0,0,0,2,0|1,0,1]=4 119 B12R1.256 C1=CC(=CC=C1C(=O)[O-])C(=O)[O-] Z282600 [0,0,0,0,2,0|1,0,1]=4 120 B12R1.256 C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-] N159060 [0,0,0,0,2,0|0,0,1]=3 121 B12R1.256 C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-] D100640 [0,0,0,0,2,0|1,0,1]=4 122 B12R1.256 C1=CC(=CC=C1[N+](=O)[O-])[N+](=O)[O-] D100641 [0,0,0,0,2,0|1,0,1]=4 123 B12R1.256 C1=CC(=NC=C1C(=O)O)[N+](=O)[O-] N183771 [0,0,0,0,2,0|1,0,0]=3 124 B12R1.256 C1=CC(=NC=C1[N+](=O)[O-])C(=O)O N138644 [0,0,0,0,2,0|1,0,0]=3 125 B12R1.256 CC(=O)C1=CC=C(C=C1)C(=O)O A151401 [0,0,0,0,2,0|2,0,0]=4 126 B12R1.256 CC(=O)C1=CC=C(C=C1)[N+](=O)[O-] N105745 [0,0,0,0,2,0|1,0,0]=3 127 B12R1.256 CC(C1=CC=C(C=C1)[N+](=O)[O-])O N589797 [0,0,0,0,2,0|1,0,1]=4 128 B14R1.6355 C1=CC(=CC(=C1)OCC(=O)O)[N+](=O)[O-] N159457 [0,0,0,0,1,1|1,0,1]=4 129 B14R1.6355 C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)O T101925 [0,0,0,0,1,1|0,0,0]=2 130 B14R1.6355 C1=CC(=CC(=C1)[N+](=O)[O-])CCC(=O)O N158948 [0,0,0,0,1,1|0,0,2]=4 131 B16R1.603 C1=CC(=CC=C1C=CC(=O)O)C=CC(=O)O P167728 [0,0,0,0,0,2|1,0,1]=4