0 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 BB_SC-07114 [0,0,0,0,0,0|2,0,1]=3 1 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BB_NC-02254 [0,0,0,0,0,0|0,0,0]=0 2 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BB_NC-02250 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.56 O=CC1=C(O)C=CC([N+](=O)[O-])=C1 BB_SC-06612 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.21 CC1=C(N)C=C(C(=O)O)C=C1 BB_SC-06208 [1,0,0,0,0,0|2,0,0]=3 5 B11R1.21 CC1=C(N)C=CC([N+](=O)[O-])=C1 BB_SC-06742 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.21 CN1N=C(C(=O)O)C=CC1=O BB_SC-05030 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.21 NC(=O)C1=CC=C(Cl)C(N)=C1 BB_SC-07921 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.21 NC(=O)C1=CC=C(F)C(N)=C1 BB_SC-10911 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.21 NC1=C(O)C=CC(C(=O)O)=C1 BB_SC-09640 [1,0,0,0,0,0|1,0,0]=2 10 B11R1.21 NC1=C(O)C=CC([N+](=O)[O-])=C1 BB_SC-01352 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.21 NC1=CC(C(=O)O)=CC=C1F BB_SC-10660 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.21 NC1=CC=C(C(=O)O)C=C1N BB_SC-02405 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.21 NC1=CC=C(C(=O)O)C=C1S BB_SC-05037 [1,0,0,0,0,0|1,1,0]=3 14 B11R1.21 NC1=CC=C([N+](=O)[O-])C=C1O BB_SC-06686 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.21 O=C(Cl)C1=CC(F)=C(F)C=C1 BB_SC-10725 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.21 O=C(O)C1=CC(Br)=C(F)C=C1 BB_SC-03271 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.21 O=C(O)C1=CC(Cl)=C(F)C=C1 BB_SC-03262 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.21 O=C(O)C1=CC(O)=C(F)C=C1 BB_SC-04580 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.21 O=C(O)C1=CC=C(F)C(F)=C1 BB_SC-04572 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.21 O=C(O)C1=CC=C(O)C(O)=C1 BB_NC-02256 [1,0,0,0,0,0|0,0,0]=1 21 B11R1.266 COC1=CC(C(C)=O)=CC=C1 BB_SC-06240 [1,0,0,0,0,0|1,0,0]=2 22 B11R1.266 COC1=NC=CC(C(=O)O)=C1 BB_SC-04908 [1,0,0,0,0,0|1,0,0]=2 23 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 BB_SC-03750 [1,0,0,0,0,0|2,0,0]=3 24 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BB_SC-12404 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.280 COC1=CC(C=O)=CC=C1O BB_NC-02264 [1,0,0,0,0,0|0,0,0]=1 26 B11R1.280 COC1=CC(CO)=CC=C1O BB_NC-02797 [1,0,0,0,0,0|0,0,1]=2 27 B13R1.13 CC(=O)C1=CC=C(O)C(C(N)=O)=C1 BB_SC-07121 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(Cl)C=C1 BB_SC-05222 [0,1,0,0,0,0|3,0,0]=4 29 B13R1.13 O=C(O)C1=CC([N+](=O)[O-])=C(F)C=C1 BB_SC-04576 [0,1,0,0,0,0|3,0,0]=4 30 B13R1.49 CCC(=O)C1=CC=C(O)C(OC)=C1 BB_NC-00331 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.49 CCC(O)C1=CC=C(O)C(OC)=C1 BB_NC-00076 [0,1,0,0,0,0|1,0,1]=3 32 B13R1.3091 COC1=CC=C(C(=O)Cl)C=C1OC BB_SC-03122 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.3091 COC1=CC=C(C(C)=O)C=C1OC BB_SC-12397 [0,1,0,0,0,0|1,0,0]=2 34 B13R2.430 CC(=O)C1=CC2=C(C=C1)OCC2 BB_NC-02760 [0,0,0,1,0,0|2,0,0]=3 35 B13R2.430 CC(=O)C1=CC=C2NCCC2=C1 BB_SC-05893 [0,0,0,1,0,0|3,0,0]=4 36 B13R2.430 O=C(O)C1=CC2=C(C=C1)NC=C2 BB_NC-01197 [0,0,0,1,0,0|2,0,1]=4 37 B13R2.430 O=C(O)C1=CC2=C(C=C1)OCO2 BB_NC-02054 [0,0,0,1,0,0|0,0,0]=1 38 B13R2.430 O=C(O)C1=CC2=NSN=C2C=C1 BB_SC-04150 [0,0,0,1,0,0|3,0,0]=4 39 B13R2.430 O=C(O)C1=CC=C2C=CNC2=C1 BB_SC-01867 [0,0,0,1,0,0|2,0,1]=4 40 B13R2.430 O=C(O)C1=CC=C2N=CSC2=C1 BB_SC-05688 [0,0,0,1,0,0|1,1,1]=4 41 B13R2.430 O=C(O)C1=CC=C2NC=NC2=C1 BB_SC-04416 [0,0,0,1,0,0|2,0,1]=4 42 B13R2.430 O=C(O)C1=CC=C2NN=NC2=C1 BB_SC-01916 [0,0,0,1,0,0|3,0,0]=4 43 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 BB_SC-06664 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.13 CC(=O)C1=CC=C(C)C=C1 BB_SC-06635 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BB_SC-06734 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.13 CC(=O)C1=CC=C(I)C=C1 BB_SC-08802 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.13 CC(=O)C1=CC=C(N)C=C1 BB_SC-10671 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.13 CC(=O)C1=CC=C(O)C=C1 BB_SC-06720 [2,0,0,0,0,0|1,0,0]=3 49 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BB_SC-06932 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BB_SC-05091 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BB_SC-03474 [2,0,0,0,0,0|1,1,0]=4 52 B10R1.13 NC1=CC=C(C(=O)O)C=N1 BB_SC-05191 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BB_SC-06735 [2,0,0,0,0,0|2,0,0]=4 54 B10R1.13 O=C(O)C1=CC=C(F)C=C1 BB_SC-06507 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BB_NC-02308 [2,0,0,0,0,0|0,0,0]=2 56 B10R1.13 O=C(O)C1=CC=[N+]([O-])C=C1 BB_SC-12681 [2,0,0,0,0,0|1,0,1]=4 57 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 BB_SC-03259 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BB_NC-01873 [2,0,0,0,0,0|1,0,1]=4 59 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BB_NC-02200 [2,0,0,0,0,0|1,0,1]=4 60 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [2,0,0,0,0,0|1,0,0]=3 61 B10R1.113 CC(=O)C1=CC=CC(N)=C1 BB_SC-10669 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.113 NC(=O)C1=CC=CC(N)=C1 BB_SC-07456 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.113 NC1=CC(C(=O)O)=CN=C1 BB_SC-04954 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BB_SC-12388 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.113 NC1=NC=CC(C(=O)O)=C1 BB_SC-05192 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.113 O=C(O)C1=CC(Br)=CN=C1 BB_SC-03258 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.113 O=C(O)C1=CC(Cl)=CC=N1 BB_SC-02566 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 BB_SC-04632 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.113 O=C(O)C1=CC(O)=CN=C1 BB_NC-01971 [2,0,0,0,0,0|1,0,0]=3 70 B10R1.113 O=C(O)C1=CC=CC(O)=C1 BB_SC-06483 [2,0,0,0,0,0|0,0,0]=2 71 B10R1.113 O=C(O)C1=C[N+]([O-])=CC=C1 BB_SC-06795 [2,0,0,0,0,0|1,0,1]=4 72 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 BB_SC-03441 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BB_SC-04741 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 BB_SC-04600 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BB_NC-02317 [2,0,0,0,0,0|0,0,0]=2 76 B10R1.176 O=CC1=CC=C(F)C(Br)=C1 BB_SC-04540 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.176 O=CC1=CC=C(F)C(Cl)=C1 BB_SC-04543 [2,0,0,0,0,0|2,0,0]=4 78 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=N1 BB_SC-07322 [1,1,0,0,0,0|2,0,0]=4 79 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 BB_SC-02684 [1,1,0,0,0,0|2,0,0]=4 80 B12R1.48 COC1=CC=C(C(=O)O)C=C1N BB_SC-04636 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.48 COC1=CC=C(C(=O)O)C=C1O BB_NC-02259 [1,1,0,0,0,0|0,0,0]=2 82 B12R1.48 COC1=CNC(C(=O)O)=CC1=O BB_NC-03234 [1,1,0,0,0,0|1,0,1]=4 83 B12R1.48 COC1=COC(C(=O)O)=CC1=O BB_NC-03101 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.232 NC1=CC(C(=O)O)=C(Cl)C=C1Cl BB_SC-08287 [1,1,0,0,0,0|2,0,0]=4 85 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 BB_SC-10105 [1,1,0,0,0,0|2,0,0]=4 86 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 BB_SC-04598 [1,1,0,0,0,0|2,0,0]=4 87 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 BB_SC-02713 [1,1,0,0,0,0|1,0,0]=3 88 B12R1.893 CC(=O)C1=C(O)C(O)=C(O)C=C1 BB_SC-07200 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.893 CC1=CC=C(C(=O)O)C(=O)N1C BB_NC-02148 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.893 O=C(O)C1=CC=C(F)C(F)=C1F BB_SC-04578 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.1005 NC1=C(Cl)C=C(C(=O)O)C=C1Cl BB_SC-09028 [1,1,0,0,0,0|2,0,0]=4 92 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(F)=C1 BB_SC-04579 [1,1,0,0,0,0|2,0,0]=4 93 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 BB_NC-02799 [1,1,0,0,0,0|0,0,0]=2 94 B12R1.258 O=C(O)C1=CC=CC(C(=O)O)=C1 BB_SC-06868 [1,1,0,0,0,0|2,0,0]=4 95 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 BB_SC-04030 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.435 COC(=O)C1=CC=CC(OC)=C1 BB_SC-02898 [1,1,0,0,0,0|0,0,0]=2 97 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BB_SC-11037 [1,1,0,0,0,0|1,0,0]=3 98 B12R1.435 COC1=CC=CC(\C(N)=N\O)=C1 BB_SC-12256 [1,1,0,0,0,0|1,0,0]=3 99 B12R1.440 COC1=C(O)C(C(=O)O)=CC=C1 BB_NC-02251 [1,1,0,0,0,0|0,0,0]=2 100 B12R1.453 COC1=CC([N+](=O)[O-])=C(N)C=C1 BB_SC-00029 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.453 COC1=CC=C(O)C(C(=O)O)=C1 BB_SC-07209 [1,1,0,0,0,0|0,0,0]=2 102 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 BB_NC-02804 [1,1,0,0,0,0|1,0,0]=3 103 B12R1.78 COC1=C(CCl)C=C(C=O)C=C1 BB_SC-04015 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.78 COC1=CC=C(C=O)C=C1OC BB_NC-02052 [1,1,0,0,0,0|0,0,0]=2 105 B12R1.78 COC1=CC=C(CO)C=C1OC BB_SC-09385 [1,1,0,0,0,0|0,0,1]=3 106 B12R1.270 CCOC1=CC(C=O)=CC=C1O BB_NC-02247 [1,1,0,0,0,0|0,0,0]=2 107 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 BB_NC-00470 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BB_NC-00503 [1,1,0,0,0,0|1,0,1]=4 109 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 BB_SC-01456 [1,1,0,0,0,0|0,0,0]=2 110 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BB_SC-05967 [1,1,0,0,0,0|0,0,0]=2 111 B14R1.705 CC(=O)NC1=CC=C(O)C(C(C)=O)=C1 BB_SC-07276 [0,1,0,0,0,1|2,0,0]=4 112 B14R1.3651 COC1=CC=C(CC(C)=O)C=C1OC BB_NC-02258 [0,1,0,0,0,1|1,0,0]=3 113 B14R1.706 COC(=O)C1=C(O)C=CC(C(C)=O)=C1 BB_NC-02282 [0,2,0,0,0,0|1,0,0]=3 114 B14R1.1864 CCC(=O)C1=CC=C(OC)C(OC)=C1 BB_NC-00335 [0,2,0,0,0,0|1,0,0]=3 115 B14R1.1864 COC1=C(OC)C=C(C(=O)CBr)C=C1 BB_SC-01998 [0,2,0,0,0,0|1,0,0]=3 116 B14R1.1864 COC1=C(OC)C=C(\C(N)=N\O)C=C1 BB_SC-12260 [0,2,0,0,0,0|1,0,0]=3 117 B14R1.362 COC1=CC(C(=O)O)=CC(OC)=C1O BB_NC-02236 [0,2,0,0,0,0|0,0,0]=2 118 B14R1.758 C=CCOC1=C(F)C=CC(C(=O)O)=C1 BB_SC-12591 [0,2,0,0,0,0|1,0,0]=3 119 B14R1.1851 COC1=CC(N)=C(C(=O)O)C=C1OC BB_SC-03255 [0,2,0,0,0,0|0,0,0]=2 120 B12R1.125 O=C(O)\C=C\C1=C(O)C=CC=C1 BB_NC-02272 [0,0,1,1,0,0|1,0,1]=4 121 B12R2.44 NCC1=CC2=C(C=C1)OCO2 BB_SC-02862 [1,0,0,1,0,0|1,0,1]=4 122 B12R2.44 O=CC1=CC2=C(C=C1)OCO2 BB_SC-02400 [1,0,0,1,0,0|0,0,0]=2 123 B12R2.44 OCC1=CC2=C(C=C1)OCO2 BB_NC-01744 [1,0,0,1,0,0|0,0,1]=3 124 B14R2.1008 N=C(N)NC1=CC2=C(C=C1)OCO2 BB_SC-05650 [0,0,0,1,0,1|2,0,0]=4 125 B14R2.1008 O=C(O)CC1=CC=C2OCCC2=C1 BB_NC-02835 [0,0,0,1,0,1|1,0,0]=3 126 B14R2.24358 CN1C=CC2=CC=C(C(=O)O)C=C21 BB_NC-02083 [0,1,0,1,0,0|2,0,0]=4 127 B14R2.3125 O=S(=O)(Cl)C1=CC=C2OCOC2=C1 BB_SC-04691 [0,1,0,1,0,0|1,0,1]=4 128 B14R2.601 CC(=O)C1=CC2=C(C=C1)OC(C)C2 BB_NC-00839 [0,1,0,1,0,0|2,0,0]=4 129 B14R2.601 CC1=NC2=CC(C(=O)O)=CC=C2N1 BB_SC-09671 [0,1,0,1,0,0|2,0,0]=4 130 B14R2.624 CC(=O)C1=CC2=C(C=C1N)OCO2 BB_NC-02009 [0,1,0,1,0,0|1,0,0]=3 131 B10R1.58 CC1=C(C)SC(C(=O)O)=C1 BB_SC-03840 [1,0,0,0,1,0|2,0,0]=4 132 B10R1.31 CCC1=CC=C(C(=O)O)S1 BB_SC-03794 [1,0,0,0,1,0|2,0,0]=4 133 B12R1.57 COC1=CC(F)=CC=C1C(C)=O BB_SC-04593 [0,0,0,0,1,1|2,0,0]=4 134 B12R1.57 COC1=NC(C)=CC=C1C(=O)O BB_SC-06268 [0,0,0,0,1,1|1,0,0]=3 135 B12R1.87 COC1=C(C)C=CC=C1C(=O)Cl BB_SC-02748 [0,0,0,0,1,1|2,0,0]=4 136 B14R1.42 COC1=C(O)C=CC(CCC(C)=O)=C1 BB_NC-01538 [0,0,0,0,0,2|1,0,0]=3 137 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O BB_NC-01070 [0,0,0,0,0,2|0,0,0]=2