0 B10R1.30 N#CC1=C(N)C=CC(Cl)=C1 BB_SC-04522 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.30 N#CC1=CC(Cl)=CC=C1Cl BB_SC-04562 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.30 N#CC1=CC(F)=CC=C1N BB_SC-04567 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.30 NNC1=CC(F)=CC=C1Cl BB_SC-06429 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.30 O=CC1=C(F)C=CC(F)=C1 BB_SC-02970 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.30 O=CC1=C(O)C=CC(Br)=C1 BB_SC-06583 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.30 O=CC1=CC(Br)=CC=C1F BB_SC-04541 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.30 O=CC1=CC(Cl)=CC=C1F BB_SC-04545 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.2 CC1=CC=CC(CCl)=C1 BB_SC-07069 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.2 CC1=CC=CC(NN)=C1 BB_SC-06209 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.2 COC1=CC=CC(N)=C1 BB_SC-07166 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.2 COC1=CC=CC(O)=C1 BB_SC-06850 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.2 CSC1=CC(N)=CC=C1 BB_SC-07267 [1,0,0,0,0,0|1,1,0]=3 13 B9R1.2 ClCC1=CC(Cl)=CC=C1 BB_SC-06965 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 ClCC1=CC=CC(Br)=C1 BB_SC-09626 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 NCC1=CC(Cl)=CC=C1 BB_SC-04584 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 NCC1=CC(F)=CC=C1 BB_SC-04586 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.2 NCC1=CC(N)=CC=C1 BB_SC-08894 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.2 NNC1=CC=CC(F)=C1 BB_SC-06249 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.2 O=CC1=CC(F)=CC=C1 BB_SC-03369 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 CC1=CC=CC=C1CCl BB_SC-07008 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 CC1=CC=CC=C1NN BB_SC-06250 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.15 CNC1=C(N)C=CC=N1 BB_SC-09969 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 COC1=C(N)C=CC=N1 BB_SC-07758 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.15 ClCC1=C(Cl)C=CC=C1 BB_SC-06882 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 N#CC1=C(F)C=CC=C1 BB_SC-03292 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.15 N#CC1=C(N)C=CC=C1 BB_SC-04521 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 N#CC1=C(O)C=CC=C1 BB_SC-04062 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.15 N#CC1=CC=CC=C1Cl BB_SC-12389 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.15 NC1=C(CO)C=CC=C1 BB_SC-05568 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.15 NCC1=C(Cl)C=CC=C1 BB_SC-06959 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.15 NCC1=C(F)C=CC=C1 BB_SC-04585 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 NNC1=C(Br)C=CC=C1 BB_SC-02803 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 NNC1=CC=CC=C1F BB_SC-06248 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.15 O=CC1=C(Cl)C=CC=C1 BB_SC-06736 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.15 O=CC1=C(O)C=CC=C1 BB_SC-09449 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.69 CC1=C(Cl)C=C(N)C=C1 BB_SC-07067 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.69 CC1=C(N)C=C(N)C=C1 BB_SC-07051 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.69 CC1=C(N)C=CC(Cl)=C1 BB_SC-07251 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.69 CC1=C(N)C=CC(I)=C1 BB_SC-11750 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.69 CC1=CC(=O)C(O)=CO1 BB_NC-03139 [1,0,0,0,0,0|1,0,1]=3 41 B9R1.69 CC1=CC(=O)C=CC1=O BB_NC-03240 [1,0,0,0,0,0|1,0,1]=3 42 B9R1.69 CC1=CC(Br)=C(N)C=C1 BB_SC-06708 [1,0,0,0,0,0|2,0,0]=3 43 B9R1.69 CC1=CC(C)=C(O)C=C1 BB_SC-06950 [1,0,0,0,0,0|0,0,0]=1 44 B9R1.69 CC1=CC=C(N)C(Cl)=C1 BB_SC-07252 [1,0,0,0,0,0|2,0,0]=3 45 B9R1.69 CC1=CC=C(N)C(N)=C1 BB_SC-06834 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.69 NC1=CC(Cl)=C(F)C=C1 BB_SC-11228 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.69 NC1=CC(Cl)=CC=C1Cl BB_SC-12020 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.69 NC1=CC(Cl)=CC=C1O BB_SC-07145 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.69 NC1=CC(F)=C(F)C=C1 BB_SC-04633 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.69 NC1=CC=C(Cl)C(Cl)=C1 BB_SC-06803 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.69 NC1=CC=C(Cl)C=C1N BB_SC-06498 [1,0,0,0,0,0|3,0,0]=4 52 B11R1.8 CCC1=CC(C)=NC(C)=C1O BB_SC-02594 [0,1,0,0,0,0|2,0,0]=3 53 B11R1.8 O=CC1=C(O)C(Cl)=CC(Cl)=C1 BB_SC-09436 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.37 COC1=NC(C)=CC=C1C#N BB_SC-11266 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 BB_SC-06880 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.167 CC(=O)C1=CC(N)=CC=C1O BB_NC-02592 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.167 CC(=O)C1=CC(O)=CC=C1O BB_SC-06838 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.167 NC1=CC(C(=O)O)=C(O)C=C1 BB_NC-00015 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.167 O=C(O)C1=C(O)C=CC(O)=C1 BB_NC-02255 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.167 O=C(O)C1=CC(Br)=CC=C1O BB_SC-06654 [0,1,0,0,0,0|3,0,0]=4 61 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 BB_SC-12593 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.280 COC1=C(O)C=CC(C#N)=C1 BB_SC-12404 [0,1,0,0,0,0|0,0,1]=2 63 B11R1.280 COC1=CC(C=O)=C(F)C=C1 BB_SC-04549 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.280 COC1=CC(C=O)=C(O)C=C1 BB_SC-09407 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.280 COC1=CC(C=O)=CC=C1O BB_NC-02264 [0,1,0,0,0,0|0,0,1]=2 66 B11R1.280 COC1=CC(CO)=CC=C1O BB_NC-02797 [0,1,0,0,0,0|0,0,0]=1 67 B11R2.36 CC1=CC2=C(C=C1)NC=C2 BB_SC-01558 [0,0,0,1,0,0|2,0,1]=4 68 B11R2.36 NC1=CC2=C(C=C1)OCO2 BB_SC-12006 [0,0,0,1,0,0|1,0,0]=2 69 B11R2.36 OC1=CC2=C(C=C1)OCO2 BB_NC-01237 [0,0,0,1,0,0|1,0,0]=2 70 B11R2.36 OC1=CC2=C(C=C1)OCO2 BB_NC-02931 [0,0,0,1,0,0|1,0,0]=2 71 B8R1.2 COC1=NC=CC=C1 BB_SC-07094 [2,0,0,0,0,0|1,0,0]=3 72 B8R1.2 NNC1=CC=CC=C1 BB_SC-06741 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.2 OCC1=CC=CC=C1 BB_SC-07027 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.4 CC1=CC=CC(C)=N1 BB_SC-06945 [2,0,0,0,0,0|1,0,0]=3 75 B8R1.4 CC1=CC=CC(N)=N1 BB_SC-06591 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.4 CC1=CC=NC(C)=C1 BB_SC-06947 [2,0,0,0,0,0|1,0,0]=3 77 B8R1.4 NC1=CC(S)=CC=C1 BB_SC-04635 [2,0,0,0,0,0|1,1,0]=4 78 B8R1.4 [O-][N+]1=CC=CC(O)=C1 BB_SC-05501 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.5 CC1=C(Br)C=NC=C1 BB_SC-09560 [2,0,0,0,0,0|2,0,0]=4 80 B8R1.5 CC1=C(N)C=CC=C1 BB_SC-07050 [2,0,0,0,0,0|1,0,0]=3 81 B8R1.5 CC1=C(N)N=CC=C1 BB_SC-06560 [2,0,0,0,0,0|2,0,0]=4 82 B8R1.5 CC1=CC=NC=C1C BB_SC-06614 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.5 C[N+]1=CC=CC=C1Cl BB_SC-06462 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.5 NC1=C(Br)C=CC=C1 BB_SC-12017 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.5 NC1=C(F)C=CC=C1 BB_SC-05842 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.5 NC1=C(I)C=CC=C1 BB_SC-06756 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.5 NC1=C(O)C=CN=C1 BB_SC-04743 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.5 NC1=NC=CC=C1O BB_SC-01724 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.5 OC1=C(Br)N=CC=C1 BB_SC-04833 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.5 OC1=C(Cl)N=CC=C1 BB_SC-12711 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.5 OC1=C(O)C=CC=C1 BB_NC-02239 [2,0,0,0,0,0|0,0,0]=2 92 B8R1.5 OC1=C(O)N=CC=C1 BB_SC-05516 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.3 CC1=CC=[N+]([O-])C=C1 BB_SC-06930 [2,0,0,0,0,0|1,0,1]=4 94 B8R1.3 CC1=CN=C(N)C=C1 BB_SC-07181 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.3 NC1=CC=C(N)C=C1 BB_SC-07053 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.3 NC1=CC=C(O)C=C1 BB_SC-06973 [2,0,0,0,0,0|1,0,0]=3 97 B8R1.3 O=C1C=CC(=O)C=C1 BB_NC-02313 [2,0,0,0,0,0|1,0,1]=4 98 B8R1.3 OC1=CC=C(O)C=C1 BB_NC-02226 [2,0,0,0,0,0|1,0,0]=3 99 B8R1.3 OC1=NC=C(Cl)C=C1 BB_SC-07238 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.10 CNCC1=CC(N)=CC=C1 BB_SC-08896 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.10 NCCC1=CC(F)=CC=C1 BB_SC-08693 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.113 CC(=O)C1=CC(O)=CC=C1 BB_SC-07222 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.113 CC(=O)C1=CC=CC(N)=C1 BB_SC-10669 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.176 COC1=NN(C)C(=O)C=C1 BB_SC-09954 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.4 C=CCC1=CC=CC=C1O BB_SC-01155 [1,1,0,0,0,0|1,0,1]=4 106 B10R1.4 O\N=C\C1=CC=CC=C1O BB_SC-05445 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.20 COC1=CC=CC=C1CN BB_SC-06448 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.20 COC1=NC=CC=C1C#N BB_SC-07583 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.25 COC1=CC=C(N)C=C1Cl BB_SC-11214 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.25 O=CC1=C(O)C=C(O)C=C1 BB_NC-02242 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.61 CC(=O)C1=C(C)C=CC=C1 BB_SC-06871 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BB_SC-06782 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.61 CC(=O)C1=CC=CC=C1N BB_SC-09205 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BB_SC-00234 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.245 COC1=C(C)NC=CC1=O BB_SC-05195 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.22 CC1=CC(N)=C(O)C(C)=C1 BB_SC-00477 [1,1,0,0,0,0|0,0,0]=2 117 B10R1.22 NC1=CC(Br)=C(O)C(Br)=C1 BB_SC-00490 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.118 O=C1C=C(O)C(=O)C=C1O BB_NC-00728 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.119 CC1=C(C)C(O)=CC=C1O BB_NC-02204 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.119 CC1=C(O)C(=O)C=CN1C BB_SC-12066 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.234 COC1=NC(C)=CC(C)=C1C#N BB_SC-10859 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.300 CCC1=NC(CC)=C(O)C(C)=C1 BB_SC-00231 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.300 COC1=C(O)C(I)=CC(C=O)=C1 BB_SC-01456 [0,2,0,0,0,0|0,0,1]=3 124 B12R1.300 COC1=CC(C=O)=CC(O)=C1O BB_SC-05967 [0,2,0,0,0,0|0,0,1]=3 125 B12R1.511 CC(=O)C1=C(O)C(Cl)=CC(Cl)=C1 BB_SC-06881 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.57 COC1=CC(F)=CC=C1C(C)=O BB_SC-04593 [0,2,0,0,0,0|1,0,1]=4 127 B12R1.57 COC1=NC(C)=CC=C1C(=O)O BB_SC-06268 [0,2,0,0,0,0|1,0,0]=3 128 B12R1.78 COC1=CC(C=O)=C(OC)C=C1 BB_SC-06789 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.78 COC1=CC=C(C=O)C=C1OC BB_NC-02052 [0,2,0,0,0,0|0,0,1]=3 130 B12R1.78 COC1=CC=C(CO)C=C1OC BB_SC-09385 [0,2,0,0,0,0|0,0,0]=2 131 B12R1.448 COC1=NC(C)=C(Br)C=C1C#N BB_SC-11980 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.654 COC1=C(C)C(CCl)=NC=C1C BB_SC-02787 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.232 CC1=CC(O)=C(C(C)C)C=C1Cl BB_SC-12733 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.354 COC(=O)C1=C(O)C=CC(O)=C1 BB_SC-07234 [0,2,0,0,0,0|1,0,0]=3 135 B12R1.354 COC(=O)C1=CC(Br)=CC=C1N BB_SC-08306 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.354 COC(=O)C1=CC(Cl)=CC=C1N BB_SC-09072 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.453 COC1=CC=C(O)C(C(=O)O)=C1 BB_SC-07209 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.453 COC1=CC=C(O)C(C(C)=O)=C1 BB_NC-02804 [0,2,0,0,0,0|1,0,0]=3 139 B12R1.127 CC(=O)NC1=CC(N)=CC=C1O BB_SC-11171 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.270 CCOC1=CC(C=O)=CC=C1O BB_NC-02247 [0,2,0,0,0,0|0,0,1]=3 141 B12R1.56 COC1=C(N)C=CC([N+](=O)[O-])=C1 BB_SC-07114 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.56 COC1=CC(C(=O)O)=CC=C1O BB_NC-02254 [0,2,0,0,0,0|0,0,1]=3 143 B12R1.56 COC1=CC(C(C)=O)=CC=C1O BB_NC-02250 [0,2,0,0,0,0|0,0,0]=2 144 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 BB_NC-00470 [0,2,0,0,0,0|0,0,0]=2 145 B12R1.286 CCCC1=CC=C(O)C(OC)=C1 BB_NC-00503 [0,2,0,0,0,0|0,0,0]=2 146 B10R2.7 C1=CC2=C(C=C1)NCC2 BB_SC-00077 [1,0,0,1,0,0|2,0,0]=4 147 B12R2.24 NC1=CC=C2OCCOC2=C1 BB_SC-05353 [0,1,0,1,0,0|1,0,0]=3 148 B12R2.612 O=C1COC2=CC(O)=CC=C12 BB_NC-02097 [0,1,0,1,0,0|1,0,1]=4 149 B12R2.44 NCC1=CC2=C(C=C1)OCO2 BB_SC-02862 [0,1,0,1,0,0|0,0,0]=2 150 B12R2.44 O=CC1=CC2=C(C=C1)OCO2 BB_SC-02400 [0,1,0,1,0,0|0,0,1]=3 151 B12R2.44 OCC1=CC2=C(C=C1)OCO2 BB_NC-01744 [0,1,0,1,0,0|0,0,0]=2