0 B14R1.419 CN(C)C1=CC=C(\C=C\C(=O)O)C=C1 SY015930 [0,0,0,0,0,0|2,0,1]=3 1 B14R1.419 NC(=O)C1=CC=C(OCC(=O)O)C=C1 SY008344 [0,0,0,0,0,0|3,0,1]=4 2 B14R1.419 O=C(O)CCC1=CC=C(C(=O)O)C=C1 SY032042 [0,0,0,0,0,0|1,0,3]=4 3 B14R1.419 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1 SY018637 [0,0,0,0,0,0|0,0,2]=2 4 B14R1.419 O=[N+]([O-])CCC1=CC=C([N+](=O)[O-])C=C1 SY266529 [0,0,0,0,0,0|1,0,3]=4 5 B13R1.3 O=CC1=CC=C(\C=C\C(=O)O)C=C1 SY061051 [1,0,0,0,0,0|1,0,0]=2 6 B13R1.74 CN(C)C1=CC=C(\C=C\C=O)C=C1 SY020108 [1,0,0,0,0,0|2,0,1]=4 7 B13R1.74 O=CC=CC1=CC=C([N+](=O)[O-])C=C1 SY026867 [1,0,0,0,0,0|0,0,0]=1 8 B15R1.495 NC(CC1=CC=C([N+](=O)[O-])C=C1)C(=O)O SY235038 [0,1,0,0,0,0|0,0,2]=3 9 B15R1.495 N[C@@H](CC1=CC=C([N+](=O)[O-])C=C1)C(=O)O SY015496 [0,1,0,0,0,0|0,0,2]=3 10 B15R1.498 O=C(O)\C=C\C1=CC=C(C(F)(F)F)C=C1 SY003752 [0,1,0,0,0,0|3,0,0]=4 11 B15R1.944 COC(=O)C1=CC=C(C=CC(=O)O)C=C1 SY065848 [0,1,0,0,0,0|1,0,1]=3 12 B15R1.956 COC(=O)C#CC1=CC=C([N+](=O)[O-])C=C1 SY264821 [0,1,0,0,0,0|0,0,2]=3 13 B15R1.8014 O=C(O)CCC1=CC=C([N+](=O)[O-])C=C1Br SY029147 [0,1,0,0,0,0|0,0,2]=3 14 B15R2.7174 O=C1NC2=CC([N+](=O)[O-])=CC=C2CO1 SY129166 [0,0,0,1,0,0|2,0,1]=4 15 B15R2.7174 O=[N+]([O-])C1=CC=C2N=CC(Br)=CC2=C1 SY105848 [0,0,0,1,0,0|3,0,0]=4 16 B13R1.585 CC(=O)CC1=CC=C([N+](=O)[O-])C=C1 SY226853 [0,0,0,0,1,0|1,0,1]=3 17 B13R1.585 CC(=O)NC1=NC=C([N+](=O)[O-])C=C1 SY057140 [0,0,0,0,1,0|3,0,0]=4 18 B13R1.585 CC(=O)OC1=CC=C([N+](=O)[O-])C=C1 SY010750 [0,0,0,0,1,0|2,0,0]=3 19 B13R1.585 O=C(O)CC1=CC=C(C(=O)O)C=C1 SY020973 [0,0,0,0,1,0|1,0,2]=4 20 B13R1.585 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1 SY001731 [0,0,0,0,1,0|0,0,1]=2 21 B13R1.585 O=C(O)CC1=CC=C([N+](=O)[O-])N=C1 SY278593 [0,0,0,0,1,0|1,0,1]=3 22 B15R1.1080 O=C(O)CCOC1=CC=C([N+](=O)[O-])C=C1 SY008326 [0,0,0,0,0,1|0,0,2]=3 23 B12R1.21 CC1=CC=C(\C=C\C(=O)O)C=C1 SY003984 [2,0,0,0,0,0|1,0,0]=3 24 B12R1.21 NC1=CC=C(\C=C\C(=O)O)C=N1 SY023087 [2,0,0,0,0,0|1,0,1]=4 25 B12R1.21 O=C(O)C=CC1=CC=C(Cl)C=C1 SY003740 [2,0,0,0,0,0|1,0,0]=3 26 B12R1.21 O=C(O)C=CC1=CC=C(F)C=C1 SY036413 [2,0,0,0,0,0|1,0,0]=3 27 B12R1.21 O=C(O)C=CC1=CC=C(O)C=C1 SY015618 [2,0,0,0,0,0|0,0,1]=3 28 B12R1.21 O=C(O)\C=C\C1=CC=C(Br)C=C1 SY012252 [2,0,0,0,0,0|1,0,0]=3 29 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 SY020906 [2,0,0,0,0,0|0,0,1]=3 30 B12R1.113 O=[N+]([O-])C1=CC=C(C=NO)C=C1 SY070200 [2,0,0,0,0,0|1,0,0]=3 31 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 SY059047 [2,0,0,0,0,0|0,0,2]=4 32 B14R1.5 COC(=O)\C=C\C1=CC=C(CBr)C=C1 SY018618 [1,1,0,0,0,0|2,0,0]=4 33 B14R1.124 CC(=O)NC1=CC=C([N+](=O)[O-])C=C1O SY093784 [0,1,0,0,1,0|2,0,0]=4 34 B14R1.124 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1Br SY030686 [0,1,0,0,1,0|0,0,1]=3 35 B14R1.124 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1Cl SY030687 [0,1,0,0,1,0|0,0,1]=3 36 B14R1.124 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1F SY005555 [0,1,0,0,1,0|0,0,1]=3 37 B14R1.124 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1I SY030689 [0,1,0,0,1,0|0,0,1]=3 38 B14R1.124 O=C(O)CC1=CC=C([N+](=O)[O-])C=C1O SY300447 [0,1,0,0,1,0|0,0,1]=3 39 B14R1.5801 CC1=CC(CC(=O)O)=CC=C1[N+](=O)[O-] SY026666 [0,1,0,0,1,0|0,0,1]=3 40 B14R1.5801 O=C(O)CC1=CC=C([N+](=O)[O-])C(F)=C1 SY030683 [0,1,0,0,1,0|0,0,1]=3 41 B14R1.6402 NC(C(=O)O)C1=CC=C([N+](=O)[O-])C=C1 SY299225 [0,1,0,0,1,0|0,0,1]=3 42 B14R1.6402 O=C(O)C(Br)C1=CC=C([N+](=O)[O-])C=C1 SY310454 [0,1,0,0,1,0|0,0,1]=3 43 B14R1.6402 O=C(O)C(O)C1=CC=C([N+](=O)[O-])C=C1 SY298204 [0,1,0,0,1,0|0,0,1]=3 44 B14R1.6402 O=C(O)[C@H](O)C1=CC=C([N+](=O)[O-])C=C1 SY290825 [0,1,0,0,1,0|0,0,1]=3 45 B16R1.864 COC(=O)CC(=O)C1=CC=C([N+](=O)[O-])C=C1 SY122729 [0,2,0,0,0,0|0,0,1]=3 46 B16R1.864 COC(=O)CC(Cl)C1=CC=C([N+](=O)[O-])C=C1 SY264820 [0,2,0,0,0,0|0,0,2]=4 47 B14R1.676 O=C(O)CC1=CC([N+](=O)[O-])=CC=C1F SY005249 [0,0,1,1,0,0|1,0,1]=4 48 B14R1.676 O=C(O)CC1=CC([N+](=O)[O-])=CC=C1O SY167080 [0,0,1,1,0,0|1,0,1]=4 49 B14R1.4450 CC1=C([N+](=O)[O-])C=CC=C1CC(=O)O SY005250 [0,0,1,1,0,0|0,0,2]=4 50 B14R1.104 COC1=CC=C([N+](=O)[O-])C(C(=O)O)=C1 SY002263 [0,0,1,1,0,0|1,0,1]=4 51 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)N=CC=C2 SY008973 [1,0,0,1,0,0|2,0,0]=4 52 B14R2.781 O=[N+]([O-])C1=CC2=NC=CC=C2C=C1 SY009016 [1,0,0,1,0,0|1,0,0]=3 53 B14R2.781 O=[N+]([O-])C1=CC=C2N=CC=NC2=C1 SY007246 [1,0,0,1,0,0|2,0,0]=4 54 B14R2.24358 CC1=CNC2=C1C=C([N+](=O)[O-])C=C2 SY199512 [1,0,0,1,0,0|2,0,0]=4 55 B14R2.24358 O=C1CCC2=CC=C([N+](=O)[O-])C=C12 SY010072 [1,0,0,1,0,0|0,0,2]=4 56 B14R2.24358 O=C1NCC2=C1C=C([N+](=O)[O-])C=C2 SY020117 [1,0,0,1,0,0|1,0,1]=4 57 B14R2.24358 O=C1OCC2=C1C=C([N+](=O)[O-])C=C2 SY021140 [1,0,0,1,0,0|1,0,1]=4 58 B14R2.24358 O=[N+]([O-])C1=CC2=C(C=C1)NC=C2Br SY006253 [1,0,0,1,0,0|2,0,0]=4 59 B14R2.24358 O=[N+]([O-])C1=CC2=C(C=C1)NC=C2Cl SY282650 [1,0,0,1,0,0|2,0,0]=4 60 B14R2.24358 O=[N+]([O-])C1=CC=C2ON=C(O)C2=C1 SY280803 [1,0,0,1,0,0|2,0,0]=4 61 B14R2.24358 O=[N+]([O-])C1=CC=C2SC=C(Br)C2=C1 SY263321 [1,0,0,1,0,0|2,0,0]=4 62 B14R2.601 CC1=NC2=CC=C([N+](=O)[O-])C=C2O1 SY018720 [0,0,0,1,1,0|2,0,0]=4 63 B14R2.601 NC1=NC2=CC=C([N+](=O)[O-])C=C2O1 SY130063 [0,0,0,1,1,0|2,0,0]=4 64 B14R2.601 O=C1CC2=C(C=CC([N+](=O)[O-])=C2)N1 SY026862 [0,0,0,1,1,0|2,0,0]=4 65 B14R2.601 O=C1NC2=CC([N+](=O)[O-])=CC=C2O1 SY043227 [0,0,0,1,1,0|2,0,0]=4 66 B14R2.601 O=C1NC2=CC=C([N+](=O)[O-])C=C2N1 SY062213 [0,0,0,1,1,0|2,0,0]=4 67 B14R2.601 O=C1NC2=CC=C([N+](=O)[O-])C=C2O1 SY066100 [0,0,0,1,1,0|1,0,0]=3 68 B14R2.601 O=[N+]([O-])C1=CC=C2N=C(Cl)OC2=C1 SY015430 [0,0,0,1,1,0|2,0,0]=4 69 B14R2.601 O=[N+]([O-])C1=CC=C2NC(=S)OC2=C1 SY130022 [0,0,0,1,1,0|1,1,0]=4 70 B16R2.2827 O=[N+]([O-])C1=CC=C(C2=NOC(O)=C2)C=C1 SY122732 [0,0,0,1,0,1|2,0,0]=4 71 B16R2.143127 O=C(O)C1=CNC2=C1C=C([N+](=O)[O-])C=C2 SY058600 [0,0,0,1,0,1|0,0,0]=2 72 B16R2.143127 O=C(O)C1=NNC2=C1C=C([N+](=O)[O-])C=C2 SY036719 [0,0,0,1,0,1|1,0,0]=3 73 B16R2.27395 O=C(O)C1=CC2=C(C=CC([N+](=O)[O-])=C2)N1 SY032014 [0,1,0,1,0,0|1,0,0]=3 74 B16R2.27395 O=C(O)C1=CC2=CC([N+](=O)[O-])=CC=C2S1 SY247783 [0,1,0,1,0,0|1,0,0]=3 75 B16R2.26103 O=C1NC2=C(C=CC([N+](=O)[O-])=C2)C(=O)O1 SY022035 [0,1,0,1,0,0|2,0,0]=4 76 B12R1.4 O=CC1=CC=C(CC(=O)O)C=C1 SY026371 [1,0,0,0,1,0|1,0,1]=4 77 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 SY012789 [0,0,0,0,2,0|2,0,0]=4 78 B12R1.256 CC(=O)C1=CC=C([N+](=O)[O-])C=C1 SY011156 [0,0,0,0,2,0|1,0,0]=3 79 B12R1.256 N=C(N)C1=CC=C([N+](=O)[O-])C=C1 SY018876 [0,0,0,0,2,0|2,0,0]=4 80 B12R1.256 NC(=O)C1=CC=C(C(=O)O)C=C1 SY050472 [0,0,0,0,2,0|2,0,0]=4 81 B12R1.256 NC(=S)C1=CC=C([N+](=O)[O-])C=C1 SY046171 [0,0,0,0,2,0|1,1,0]=4 82 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 SY002161 [0,0,0,0,2,0|0,0,0]=2 83 B12R1.256 O=C(O)C1=CN=C([N+](=O)[O-])C=C1 SY022752 [0,0,0,0,2,0|1,0,0]=3 84 B12R1.256 O=C(O)C1=NC=C([N+](=O)[O-])C=C1 SY003538 [0,0,0,0,2,0|1,0,0]=3 85 B12R1.256 O=[N+]([O-])C1=CC=C(B(O)O)C=C1 SY009037 [0,0,0,0,2,0|1,0,1]=4 86 B14R1.6355 O=C(O)CCC1=CC=CC([N+](=O)[O-])=C1 SY016825 [0,0,0,0,1,1|0,0,2]=4 87 B14R1.6355 O=C(O)\C=C\C1=CC([N+](=O)[O-])=CC=C1 SY014164 [0,0,0,0,1,1|0,0,0]=2