0 B10R1.13 CC1=CC=C(S(=O)[O-])C=C1 7866AF [0,0,0,0,0,0|2,0,1]=3 1 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 O022 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 C[C@@H](N)C1=CC=C(I)C=C1 W7028 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.13 C[C@H](N)C1=CC=C(N)C=C1 W7688 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 N=C(N)C1=CC=C(Cl)N=C1 0357AB [0,0,0,0,0,0|4,0,0]=4 5 B10R1.13 N=C(N)C1=CC=C(Cl)N=C1 3424AA [0,0,0,0,0,0|4,0,0]=4 6 B10R1.13 N=C(N)C1=CN=C(Br)C=C1 6224AA [0,0,0,0,0,0|4,0,0]=4 7 B10R1.13 NC1=CN=C(C(=O)O)C=N1 Y3266 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 N[N+]1=CC=C(C(=O)[O-])C=C1 9677AH [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 O=C(O)C1=NC=C(F)C=N1 3368AA [0,0,0,0,0,0|3,0,0]=3 10 B9R1.1 NC1=CC=C(C=O)C=C1 L628 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.1 O=CC1=CC=[N+]([O-])C=C1 0867AQ [1,0,0,0,0,0|1,0,1]=3 12 B9R1.1 O=CC1=NC=C(Br)C=N1 6187AC [1,0,0,0,0,0|3,0,0]=4 13 B9R1.1 O=CC1=NC=C(F)C=N1 3220AJ [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 C=C(F)C1=CC=CC=C1 1021AL [1,0,0,0,0,0|2,0,0]=3 15 B9R1.6 CC(=N)C1=CC=CN=C1 Y6078 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.6 CC(O)C1=CC=NC=C1 W4712 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.6 O=C(O)C1=NC=CN=N1 9945AB [1,0,0,0,0,0|3,0,0]=4 18 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 3772AC [0,1,0,0,0,0|2,0,0]=3 19 B11R1.3 CNC1=NN=C(C(=O)O)C=C1 6414AJ [0,1,0,0,0,0|3,0,0]=4 20 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 W7084 [0,1,0,0,0,0|2,0,1]=4 21 B11R1.3 COC1=CN=C(C(C)=O)C=N1 Z1655 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.3 COC1=CN=C([N+](=O)[O-])C=C1 O044 [0,1,0,0,0,0|2,0,1]=4 23 B11R1.3 N#CC1=CC=C(C(=N)N)C=C1 6152AJ [0,1,0,0,0,0|3,0,0]=4 24 B11R1.3 N#CC1=NC=C(C(=O)O)C=N1 5532AJ [0,1,0,0,0,0|3,0,0]=4 25 B11R1.3 N=C(N)C1=CC=C(C=O)C=C1 9688AB [0,1,0,0,0,0|2,0,1]=4 26 B11R1.3 NC(=O)C1=NC=C(CO)N=C1 5660AB [0,1,0,0,0,0|3,0,0]=4 27 B11R1.3 NCC1=CC=C(B(O)O)C=C1 Y9279 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.3 NCC1=CN=C(C(N)=O)C=C1 Y1977 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.3 O=C(O)C1=CC=C(CBr)N=C1 3341AJ [0,1,0,0,0,0|2,0,0]=3 30 B11R1.3 OCC1=CN=C(B(O)O)C=C1 5758AA [0,1,0,0,0,0|2,0,1]=4 31 B11R1.19 CC(C)(O)C1=CC=C(N)C=C1 1130AJ [0,1,0,0,0,0|2,0,1]=4 32 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 3773AA [0,1,0,0,0,0|2,0,0]=3 33 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 6376AC [0,1,0,0,0,0|2,0,0]=3 34 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 9369AA [0,1,0,0,0,0|2,0,0]=3 35 B11R1.19 CC1=CC=C(S(=O)(=O)O)C=C1 X3141 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.19 CS(=N)(=O)C1=CC=C(F)C=C1 9066AJ [0,1,0,0,0,0|3,0,0]=4 37 B11R1.19 O=S(=O)(O)C1=CC=C(F)C=C1 6175AJ [0,1,0,0,0,0|2,0,0]=3 38 B11R1.19 O=S(=O)(O)C1=CC=C(S)C=C1 Z2885 [0,1,0,0,0,0|1,1,0]=3 39 B11R1.21 CC(=O)C1=CC(I)=C(N)C=C1 X7016 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.21 CC(=O)C1=CC(I)=C(O)C=C1 1108AQ [0,1,0,0,0,0|1,0,0]=2 41 B11R1.21 CC(=O)C1=CC(N)=C(Br)C=C1 1073AQ [0,1,0,0,0,0|2,0,0]=3 42 B11R1.21 CC(=O)C1=CC(O)=C(N)C=C1 7979AB [0,1,0,0,0,0|2,0,0]=3 43 B11R1.21 CC(=O)C1=CC=C(N)C(Br)=C1 9448AH [0,1,0,0,0,0|2,0,0]=3 44 B11R1.21 CC(=O)C1=CC=C(O)C(N)=C1 7803AB [0,1,0,0,0,0|1,0,0]=2 45 B11R1.21 CC1=C(F)N=C(C(=O)O)C=C1 3707AA [0,1,0,0,0,0|2,0,0]=3 46 B11R1.21 CC1=CC(C(=N)N)=CC=C1Br 2704AJ [0,1,0,0,0,0|3,0,0]=4 47 B11R1.21 CC1=CC(C(=O)O)=CN=C1N 8550AA [0,1,0,0,0,0|2,0,0]=3 48 B11R1.21 CC1=CC(C(N)=O)=CC=C1N X8784 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.21 CC1=CC=C(C(=N)N)C=C1C 2090AJ [0,1,0,0,0,0|3,0,0]=4 50 B11R1.21 CC1=NC=C(C(=O)O)C=C1O 1540AC [0,1,0,0,0,0|2,0,0]=3 51 B11R1.21 CC1=[N+]([O-])C=C(C(=O)O)C=C1 3194AB [0,1,0,0,0,0|2,0,0]=3 52 B11R1.21 N=C(N)C1=CC(F)=C(Br)C=C1 5581AH [0,1,0,0,0,0|3,0,0]=4 53 B11R1.21 N=C(N)C1=CC=C(F)C(Br)=C1 2189AJ [0,1,0,0,0,0|3,0,0]=4 54 B11R1.21 NC1=CC([N+](=O)[O-])=CN=C1O Y3209 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.21 NC1=CN=C(C(=O)O)C=C1N 6504AA [0,1,0,0,0,0|2,0,0]=3 56 B11R1.21 NC1=NC=C(C(=O)O)N=C1Br 4575AC [0,1,0,0,0,0|3,0,0]=4 57 B11R1.21 O=C(O)C1=CC(=O)C(O)=CO1 0899AQ [0,1,0,0,0,0|1,0,0]=2 58 B11R1.21 O=C(O)C1=CNC(=O)C(O)=C1 5025AJ [0,1,0,0,0,0|1,0,1]=3 59 B11R1.21 O=C([O-])C1=CC=C(O)C(O)=C1 5476AC [0,1,0,0,0,0|0,0,1]=2 60 B11R1.21 OB(O)C1=CN=C(O)C(F)=C1 2361AA [0,1,0,0,0,0|2,0,1]=4 61 B11R1.22 CC1=CC=C(\C(Cl)=N\O)C=C1 3750AL [0,1,0,0,0,0|2,0,0]=3 62 B11R1.22 CCC(=O)C1=CC=C(Cl)N=C1 9510AH [0,1,0,0,0,0|3,0,0]=4 63 B11R1.22 CCC(O)C1=CC=C(Br)C=C1 1423AL [0,1,0,0,0,0|2,0,1]=4 64 B11R1.22 CN(C=O)C1=CC=C(Cl)C=C1 6455AL [0,1,0,0,0,0|3,0,0]=4 65 B11R1.22 NC1=CC=C(C(=O)CCl)C=C1 2322AB [0,1,0,0,0,0|2,0,0]=3 66 B11R1.22 O=C(CBr)C1=NC=C(Cl)C=C1 7216AA [0,1,0,0,0,0|3,0,0]=4 67 B11R1.22 OC[C@H](O)C1=CC=C(Cl)C=C1 X3150 [0,1,0,0,0,0|1,0,2]=4 68 B11R1.166 CC(=O)C1=CN=C(C)C=C1N 5382AA [0,1,0,0,0,0|3,0,0]=4 69 B11R1.166 CC(=O)C1=NC=C(Br)C=C1O 6767AA [0,1,0,0,0,0|3,0,0]=4 70 B11R1.166 CC(=O)C1=NC=C(F)C=C1F 1576AA [0,1,0,0,0,0|3,0,0]=4 71 B11R1.166 CC1=C(C(=N)N)C=CC(Br)=C1 2697AJ [0,1,0,0,0,0|3,0,0]=4 72 B11R1.166 CC1=CC(Br)=CC=C1C(=N)N 2698AJ [0,1,0,0,0,0|3,0,0]=4 73 B11R1.166 CC1=CC(N)=C(C(N)=O)N=C1 1002AD [0,1,0,0,0,0|3,0,0]=4 74 B11R1.166 CC1=CC=C(C(=N)N)C(C)=C1 1390AJ [0,1,0,0,0,0|3,0,0]=4 75 B11R1.166 CC1=NC(Br)=CC=C1C(=O)O Y3603 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.166 CS(=O)C1=C(F)C=C(O)C=C1 3401AC [0,1,0,0,0,0|2,0,0]=3 77 B11R1.166 N=C(N)C1=C(F)C=C(Br)C=C1 2690AJ [0,1,0,0,0,0|3,0,0]=4 78 B11R1.166 NC(=O)C1=C(F)C=C(Cl)C=N1 3186AJ [0,1,0,0,0,0|3,0,0]=4 79 B11R1.166 NC(=O)C1=C(O)C=C(Cl)C=C1 4852AB [0,1,0,0,0,0|2,0,0]=3 80 B11R1.166 NC(=O)C1=CC=C(N)C=C1O 8918AB [0,1,0,0,0,0|2,0,0]=3 81 B11R1.166 NC(=O)C1=CN=C(N)C=C1N 8802AA [0,1,0,0,0,0|3,0,0]=4 82 B11R1.166 NC1=C(C(=O)O)C=NC(S)=N1 1291AF [0,1,0,0,0,0|2,1,0]=4 83 B11R1.166 NC1=CC(F)=C(B(O)O)C=C1 Z1997 [0,1,0,0,0,0|2,0,1]=4 84 B11R1.166 NC1=CC(F)=CC=C1C(=O)O 5527AA [0,1,0,0,0,0|1,0,0]=2 85 B11R1.166 NC1=CC(N)=C(C(=O)O)C=N1 1767AC [0,1,0,0,0,0|2,0,0]=3 86 B11R1.166 NC1=NC(N)=C(C(=O)O)C=C1 1410AJ [0,1,0,0,0,0|2,0,0]=3 87 B11R1.166 NC1=NC=C(C(=O)O)C(N)=N1 Z2443 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.166 O=C(Cl)C1=CC=C(Cl)N=C1Cl Z0711 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.166 O=C(O)C1=C(F)C=C(Br)N=C1 1363AA [0,1,0,0,0,0|2,0,0]=3 90 B11R1.166 O=C(O)C1=C(I)C=C(Cl)N=C1 Y3821 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.166 O=C(O)C1=CN=C(O)C=C1Br W8133 [0,1,0,0,0,0|1,0,0]=2 92 B11R1.166 O=C1C=CC(=C(O)O)C(=O)N1 0863AA [0,1,0,0,0,0|1,0,2]=4 93 B11R2.34 ClC1=CC=C(C2CO2)C=C1 0625AQ [0,0,0,1,0,0|2,0,1]=4 94 B9R1.35 CC1=CC(C(=O)O)=CO1 Y8297 [0,0,0,0,1,0|2,0,0]=3 95 B9R1.35 NC(=O)C1=CC=C(Br)N1 9191AA [0,0,0,0,1,0|3,0,0]=4 96 B9R1.35 NC1=CC=C(C(=O)O)N1 3677AC [0,0,0,0,1,0|2,0,0]=3 97 B9R1.35 NC1=CN=C(C(=O)O)S1 6796AB [0,0,0,0,1,0|3,0,0]=4 98 B9R1.35 NC1=CNC(C(=O)O)=C1 7817AA [0,0,0,0,1,0|2,0,0]=3 99 B9R1.35 NC1=NC(C(=O)O)=CN1 3411AC [0,0,0,0,1,0|3,0,0]=4 100 B9R1.35 O=C(O)C1=COC(F)=N1 X6415 [0,0,0,0,1,0|3,0,0]=4 101 B9R1.35 O=C(O)C1=CSC(F)=C1 2919AL [0,0,0,0,1,0|2,0,0]=3 102 B11R1.20 C=C(Br)CC1=CC=C(Cl)C=C1 3636AF [0,0,0,0,0,1|3,0,0]=4 103 B11R1.20 CC(N)CC1=CC=C(O)C=C1 2498AL [0,0,0,0,0,1|2,0,1]=4 104 B8R0.28 O=C(O)\C=C\CC(=O)O C638 [1,0,1,0,0,0|1,0,1]=4 105 B8R1.2 O=CC1=CC=NC=N1 W4791 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.2 OCC1=CC=NC=C1 D932 [2,0,0,0,0,0|1,0,1]=4 107 B8R1.2 OCC1=NC=CC=C1 D931 [2,0,0,0,0,0|1,0,1]=4 108 B10R1.1 C=COC1=CC=C(N)C=C1 7199AC [1,1,0,0,0,0|2,0,0]=4 109 B10R1.1 O=CNC1=CC=C(Br)C=C1 1242AQ [1,1,0,0,0,0|1,0,0]=3 110 B10R1.1 O=CNC1=CC=C(Cl)C=N1 3661AL [1,1,0,0,0,0|2,0,0]=4 111 B10R1.25 CC1=CC(N)=C(C=O)C=C1 1510AJ [1,1,0,0,0,0|1,0,0]=3 112 B10R1.25 CC1=CC=C(C=O)C(N)=N1 Y4511 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.25 NC1=C(C=O)C=CC(Br)=N1 1530AJ [1,1,0,0,0,0|2,0,0]=4 114 B10R1.25 NC1=C(C=O)C=CC(Cl)=N1 8691AB [1,1,0,0,0,0|2,0,0]=4 115 B10R1.25 NC1=C(C=O)C=NC(Br)=C1 2639AJ [1,1,0,0,0,0|2,0,0]=4 116 B10R1.25 NC1=CC(N)=C(C=O)C=N1 0535AB [1,1,0,0,0,0|2,0,0]=4 117 B10R1.25 NC1=CC(N)=C(C=O)C=N1 9409AA [1,1,0,0,0,0|2,0,0]=4 118 B10R1.25 O=CC1=NC=C(F)C=C1Cl 4338AA [1,1,0,0,0,0|2,0,0]=4 119 B10R1.176 CC1=C(Br)C=C(C=O)C=N1 X9208 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.176 CC1=CC(C=O)=CN=C1C 3055AJ [1,1,0,0,0,0|2,0,0]=4 121 B10R1.176 CC1=CC(C=O)=NC=C1Cl Z1006 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.176 CCC1=CC(O)=C(O)C=C1 2184AA [1,1,0,0,0,0|1,0,1]=4 123 B10R1.176 NC1=CC(C=O)=CC=C1Br V5484 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.176 NC1=CN=C(C=O)C=C1N 5458AA [1,1,0,0,0,0|2,0,0]=4 125 B10R1.176 O=C1C=C(CO)NC=C1O Y3273 [1,1,0,0,0,0|1,0,1]=4 126 B10R1.176 O=CC1=CN=C(F)C(Br)=C1 3138AJ [1,1,0,0,0,0|2,0,0]=4 127 B10R1.176 OCC1=CC=C(F)C(I)=C1 7762AD [1,1,0,0,0,0|1,0,1]=4 128 B10R1.176 OCC1=CC=C(O)C(Br)=N1 5393AD [1,1,0,0,0,0|1,0,1]=4 129 B10R1.15 C=C(CBr)C1=CC=CC=C1 Z4610 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 1195AL [1,1,0,0,0,0|1,0,1]=4 131 B10R1.15 N#C[C@@H](O)C1=CC=CC=C1 2803AB [1,1,0,0,0,0|1,0,1]=4 132 B10R1.15 NCC(=O)C1=CC=NC=C1 1463AJ [1,1,0,0,0,0|2,0,0]=4 133 B10R1.15 NCC(=O)C1=NC=CC=C1 1454AJ [1,1,0,0,0,0|2,0,0]=4 134 B10R1.15 NCC(=O)C1=NC=CC=C1 1462AJ [1,1,0,0,0,0|2,0,0]=4 135 B10R1.15 NCC(O)C1=CC=CC=C1 3929AE [1,1,0,0,0,0|1,0,1]=4 136 B10R1.15 O=CC(Br)C1=CC=CC=C1 8662AA [1,1,0,0,0,0|1,0,1]=4 137 B10R1.15 O\N=C(/Cl)C1=NC=CC=C1 0781AC [1,1,0,0,0,0|2,0,0]=4 138 B10R1.61 CC(=O)C1=C(C)C=CN=C1 1844AB [1,1,0,0,0,0|2,0,0]=4 139 B10R1.61 CC(=O)C1=C(F)C=CN=C1 4483AC [1,1,0,0,0,0|2,0,0]=4 140 B10R1.61 CC1=CCC=CC1C(=O)O 0416AQ [1,1,0,0,0,0|0,0,2]=4 141 B10R1.61 N=C(N)C1=CC=CC=C1O Y9154 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.61 NC(=O)C1=C(Br)N=CC=C1 W9002 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.61 NC1=C(C(=O)O)N=NC=C1 0672AB [1,1,0,0,0,0|2,0,0]=4 144 B10R1.61 NC1=CC=NN=C1C(=O)O 2653AJ [1,1,0,0,0,0|2,0,0]=4 145 B10R1.61 NC1=CN=NC=C1C(=O)O 5790AH [1,1,0,0,0,0|2,0,0]=4 146 B10R1.61 O=C(O)C1=C(Cl)N=CN=C1 Y4739 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.61 O=C(O)C1=CC=COC1=O 9602AD [1,1,0,0,0,0|1,0,0]=3 148 B10R1.61 O=C(O)C1=CC=NN=C1Cl X8609 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.61 O=C(O)C1=NC=CC=C1F 5886AJ [1,1,0,0,0,0|1,0,0]=3 150 B10R1.113 CC1=NC(C(=O)O)=NC=C1 Z5358 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.113 N=C(N)C1=CC(O)=CC=C1 7158AE [1,1,0,0,0,0|2,0,0]=4 152 B10R1.113 N=C(N)C1=CC=CC(Cl)=C1 2246AJ [1,1,0,0,0,0|2,0,0]=4 153 B10R1.113 NC(=O)C1=CC(Cl)=CN=C1 Y8555 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.113 O=C(O)C1=CC=CC(Cl)=C1 8289AJ [1,1,0,0,0,0|0,0,0]=2 155 B10R1.113 O=C(O)C1=NC(F)=CN=C1 0752AD [1,1,0,0,0,0|2,0,0]=4 156 B10R1.113 O=C(O)C1=NC=CC(Cl)=N1 6183AC [1,1,0,0,0,0|2,0,0]=4 157 B10R1.113 O=C(O)C1=NC=CC(O)=C1 6183AJ [1,1,0,0,0,0|1,0,0]=3 158 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 3821AL [1,1,0,0,0,0|0,0,1]=3 159 B10R1.14 COC(=O)C1=CC(F)=CN1 6491AB [0,1,0,0,1,0|2,0,0]=4 160 B10R1.14 COC(=O)C1=CC=C(Cl)O1 7113AJ [0,1,0,0,1,0|2,0,0]=4 161 B10R1.14 COC(=O)C1=CSC(Cl)=C1 0109AP [0,1,0,0,1,0|2,0,0]=4 162 B10R1.31 NCC1=CC(C(=O)O)=CO1 3933AF [0,1,0,0,1,0|2,0,0]=4 163 B10R1.31 O=C(O)C1=CC=C(CO)N1 6865AC [0,1,0,0,1,0|1,0,0]=3 164 B10R1.31 O=C(O)C1=CSC(CO)=N1 1222AB [0,1,0,0,1,0|2,0,0]=4 165 B10R1.31 O=CC1=CNC(C(=O)O)=C1 1061AC [0,1,0,0,1,0|1,0,1]=4 166 B10R1.59 CC1=CC(C(=O)O)=C(N)S1 3020AE [0,1,0,0,1,0|2,0,0]=4 167 B10R1.59 CC1=CC(C)=C(C(=O)O)O1 0935AE [0,1,0,0,1,0|2,0,0]=4 168 B10R1.59 CC1=CC(N)=C(C(=O)O)N1 1661AC [0,1,0,0,1,0|2,0,0]=4 169 B10R1.59 CC1=CC(N)=C(C(=O)O)S1 0059AA [0,1,0,0,1,0|2,0,0]=4 170 B10R1.194 CC1=CSC(C(=O)O)=C1N 1700AB [0,1,0,0,1,0|2,0,0]=4 171 B12R1.4 C#CC1=CC=C(NC(C)=O)C=C1 4419AB [0,1,0,0,0,1|2,0,0]=4 172 B12R1.19 NC1=CC=C(CC(=O)O)C=C1I 3795AD [0,1,0,0,0,1|1,0,0]=3 173 B12R1.20 CC(=O)C(Cl)C1=CC=C(F)C=C1 1523AB [0,1,0,0,0,1|2,0,0]=4 174 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 8848AB [0,1,0,0,0,1|1,0,0]=3 175 B12R1.20 NC(=O)C(=O)C1=CC=C(Br)C=C1 0707AC [0,1,0,0,0,1|2,0,0]=4 176 B12R1.20 N[C@@H](C(=O)O)C1=CC=C(I)C=C1 2119AB [0,1,0,0,0,1|1,0,0]=3 177 B12R1.20 N[C@H](C(=O)O)C1=CC=C(Br)C=C1 3070AC [0,1,0,0,0,1|1,0,0]=3 178 B12R1.20 O=C(O)[C@@H](O)C1=CC=C(Br)C=C1 2744AD [0,1,0,0,0,1|1,0,0]=3 179 B12R1.20 O=C(O)[C@H](O)C1=CC=C(Br)C=C1 0174AE [0,1,0,0,0,1|1,0,0]=3 180 B12R1.20 O=C([O-])C(=O)C1=CC=C(O)C=C1 7895AB [0,1,0,0,0,1|0,0,1]=3 181 B12R1.49 C=CC(=O)CC1=CC=C(F)C=C1 3435AC [0,1,0,0,0,1|2,0,0]=4 182 B12R1.49 CC1=CC=C(NC(=O)CCl)C=C1 5335AD [0,1,0,0,0,1|2,0,0]=4 183 B12R1.49 CNC(=O)NC1=CC=C(O)C=C1 5000AB [0,1,0,0,0,1|1,0,0]=3 184 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 3730AB [0,1,0,0,0,1|2,0,0]=4 185 B12R1.233 CC(=O)NC1=C(C)C=C(N)C=C1 0120AD [0,1,0,0,0,1|2,0,0]=4 186 B12R1.233 NC1=CC(N)=C(CC(=O)O)C=C1 2440AC [0,1,0,0,0,1|1,0,0]=3 187 B12R1.5 COC(=O)C1=CC=C(CN)N=C1 1521AA [0,2,0,0,0,0|2,0,0]=4 188 B12R1.5 COC(=O)C1=NC=C(CN)C=C1 4289AJ [0,2,0,0,0,0|2,0,0]=4 189 B12R1.5 COC1=CC=C(C(=O)CN)C=C1 L175 [0,2,0,0,0,0|1,0,0]=3 190 B12R1.6 COC1=CC=C(S(C)(=N)=O)C=C1 9069AJ [0,2,0,0,0,0|2,0,0]=4 191 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 6984AC [0,2,0,0,0,0|1,0,0]=3 192 B12R1.48 CCC1=CC=C(C(=O)O)C=C1I 6156AJ [0,2,0,0,0,0|1,0,0]=3 193 B12R1.48 CNC1=C(N)C=C(C(N)=O)C=C1 2323AE [0,2,0,0,0,0|2,0,0]=4 194 B12R1.48 CSC1=C(Cl)C=C(C(C)=O)C=C1 3631AB [0,2,0,0,0,0|1,1,0]=4 195 B12R1.256 CC(=O)C1=CC=C(C(F)F)C=C1 9439AA [0,2,0,0,0,0|2,0,0]=4 196 B12R1.256 CC(C)C1=CC=C(C(=O)O)N=C1 2350AB [0,2,0,0,0,0|2,0,0]=4 197 B12R1.256 C[C@@H](N)C1=CC=C(C(N)=O)C=C1 8984AA [0,2,0,0,0,0|2,0,0]=4 198 B12R1.256 NC(=O)C1=NC=C(B(O)O)C=C1 2690AA [0,2,0,0,0,0|2,0,0]=4 199 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=N1 8286AC [0,2,0,0,0,0|1,0,0]=3 200 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 2640AJ [0,2,0,0,0,0|1,0,0]=3 201 B12R1.452 CSC1=NC=C(C(=O)O)C(C)=C1 Z0134 [0,2,0,0,0,0|1,1,0]=4 202 B12R1.452 N#CC1=CN=C(C(=O)O)C(Cl)=C1 0830AD [0,2,0,0,0,0|2,0,0]=4 203 B12R1.56 CCC1=CC(C(C)=O)=CC=C1O 1456AB [0,2,0,0,0,0|1,0,0]=3 204 B12R1.56 COC1=CC(C(=O)O)=CN=C1F Y3972 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.232 CC(=O)C1=CC(Br)=C(C)C=C1N 3997AJ [0,2,0,0,0,0|2,0,0]=4 206 B12R1.232 CC1=C(N)C=C(F)C(C(=O)O)=C1 2624AJ [0,2,0,0,0,0|1,0,0]=3 207 B12R1.232 CC1=CC(Br)=C(Cl)C=C1C(=O)O Z0125 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.232 CN1C=C(C(=O)O)C(Cl)=CC1=O 0159AF [0,2,0,0,0,0|1,0,1]=4 209 B12R1.232 O=C(O)C1=CC(Br)=C(Cl)C=C1Cl 2380AC [0,2,0,0,0,0|1,0,0]=3 210 B12R1.232 O=C(O)C1=CC(Br)=C(F)C=C1F V7123 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.367 CC1=C(Br)C=CC(C(=O)NN)=C1 7406AA [0,2,0,0,0,0|2,0,0]=4 212 B12R1.367 COC(=O)C1=CC(Br)=C(C)N=C1 4303AJ [0,2,0,0,0,0|2,0,0]=4 213 B12R1.367 COC(=O)C1=CC(S)=C(N)C=C1 0882AC [0,2,0,0,0,0|1,0,0]=3 214 B12R1.367 COC(=O)C1=CC=C(Br)C(Br)=N1 3877AA [0,2,0,0,0,0|2,0,0]=4 215 B12R1.367 COC(=O)C1=CNC(=O)C(C)=C1 7803AE [0,2,0,0,0,0|1,0,1]=4 216 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 3139AC [0,2,0,0,0,0|2,0,0]=4 217 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 Z5185 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.367 O=C(CCl)C1=CC=C(Br)C(F)=C1 5006AA [0,2,0,0,0,0|2,0,0]=4 219 B12R1.893 CC1=C(N)C(C)=C(C(=O)O)C=C1 2122AJ [0,2,0,0,0,0|1,0,0]=3 220 B12R1.893 NC(=O)C1=C(Cl)C(F)=C(F)C=C1 5619AC [0,2,0,0,0,0|2,0,0]=4 221 B12R1.893 O=C(O)C1=CC=C(Cl)C(F)=C1Cl 5380AC [0,2,0,0,0,0|1,0,0]=3 222 B12R1.893 O=C(O)C1=NC=C(Br)C(Cl)=C1Br 0811AC [0,2,0,0,0,0|2,0,0]=4 223 B12R1.893 O=C(O)C1=NC=C(Cl)C(Cl)=C1Cl 7850AB [0,2,0,0,0,0|2,0,0]=4 224 B12R1.1005 CC(=O)C1=CC(Br)=C(N)C(Br)=C1 9447AH [0,2,0,0,0,0|2,0,0]=4 225 B12R1.1005 CC(=O)C1=CC(F)=C(N)C(F)=C1 2607AC [0,2,0,0,0,0|2,0,0]=4 226 B12R1.1005 CC1=C(F)C=C(C(=O)O)C=C1N Z1761 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.1005 CC1=C(O)C=C(C(=O)O)C=C1O 5259AH [0,2,0,0,0,0|1,0,0]=3 228 B12R1.1005 O=C(O)C1=CC(F)=C(F)C(O)=C1 1650AC [0,2,0,0,0,0|1,0,0]=3 229 B12R1.12 N#C\C(=C/O)C1=CC=C(Br)C=C1 9045AD [0,2,0,0,0,0|2,0,0]=4 230 B12R1.16 N#CCC(=O)C1=CC=C(I)C=C1 0579AB [0,2,0,0,0,0|2,0,0]=4 231 B12R1.1703 CC1=CC(Br)=C(C(=O)NN)C=C1 0584AA [0,2,0,0,0,0|2,0,0]=4 232 B12R1.1703 COC(=O)C1=C(C)C=C(C)N=C1 X5571 [0,2,0,0,0,0|2,0,0]=4 233 B12R1.1703 COC(=O)C1=C(N)C=C(N)N=C1 6629AA [0,2,0,0,0,0|2,0,0]=4 234 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1N 0625AF [0,2,0,0,0,0|2,0,0]=4 235 B12R1.1703 COC(=O)C1=CC=C(N)N=C1C Y4417 [0,2,0,0,0,0|2,0,0]=4 236 B12R1.1703 COC(=O)C1=NC=C(Cl)C=C1N 3614AC [0,2,0,0,0,0|2,0,0]=4 237 B12R1.1703 O=C(NO)C1=C(O)C=C(F)C=C1 8352AA [0,2,0,0,0,0|1,0,0]=3 238 B12R1.57 N#CC1=CC(Br)=CC=C1C(=O)O Y1248 [0,2,0,0,0,0|1,0,0]=3 239 B12R1.1000 CC1=CC(C)=C(C(=O)O)C(F)=C1 1713AJ [0,2,0,0,0,0|1,0,0]=3 240 B12R1.1000 CC1=CC(Cl)=CC(C)=C1C(=O)O Z0544 [0,2,0,0,0,0|1,0,0]=3 241 B12R1.1000 CC1=NC(Cl)=CC(C)=C1C(=O)O 3006AL [0,2,0,0,0,0|2,0,0]=4 242 B10R2.31 NC1=CC2=C(C=C1)C=C2 8136AB [1,0,0,1,0,0|2,0,0]=4 243 B12R2.606 CC1=CC2=C(C=C1)N=C(N)O2 9805AA [0,0,0,1,0,1|2,0,0]=4 244 B12R2.606 CC1=CC2=C(C=C1)NC(=O)S2 7686AB [0,0,0,1,0,1|1,1,0]=4 245 B12R2.606 CC1=CC2=CC(O)=CC=C2O1 0430AC [0,0,0,1,0,1|2,0,0]=4 246 B12R2.606 CC1=CC=C2SC(=O)NC2=C1 5589AB [0,0,0,1,0,1|2,0,0]=4 247 B12R2.606 NC1=CC2=C(C=C1)CC(=O)C2 2877AL [0,0,0,1,0,1|2,0,0]=4 248 B12R2.606 O=C1CC2=C(C=C(I)C=C2)N1 X6110 [0,0,0,1,0,1|2,0,0]=4 249 B12R2.606 O=C1NC2=C(C=CC(F)=C2)S1 1444AA [0,0,0,1,0,1|2,0,0]=4 250 B12R2.612 CC1=CC2=C(C=C1)C(Cl)=NO2 8279AA [0,1,0,1,0,0|2,0,0]=4 251 B12R2.612 CC1=CC=C2C(=O)NCC2=C1 3267AJ [0,1,0,1,0,0|2,0,0]=4 252 B12R2.612 CC1=CNC2=CC(O)=CC=C12 2446AL [0,1,0,1,0,0|2,0,0]=4 253 B12R2.612 CC1=NOC2=C1C=CC(N)=C2 7905AA [0,1,0,1,0,0|2,0,0]=4 254 B12R2.612 NC1=CC2=C(C=C1)C(=O)NN2 1199AB [0,1,0,1,0,0|2,0,0]=4 255 B12R2.612 NC1=NOC2=C1C=CC(I)=C2 3558AJ [0,1,0,1,0,0|2,0,0]=4 256 B12R2.612 O=C1NCC2=C1C=CC(I)=C2 4891AC [0,1,0,1,0,0|2,0,0]=4 257 B12R2.612 O=C1NSC2=C1C=CC(Cl)=C2 0858AC [0,1,0,1,0,0|1,1,0]=4 258 B12R2.612 OC1=CC2=C(C=C1)C(O)CC2 4876AB [0,1,0,1,0,0|1,0,1]=4 259 B12R2.612 OC1=CNC2=C1C=CC(Br)=C2 2368AA [0,1,0,1,0,0|2,0,0]=4 260 B8R1.1 CC1=COC(C=O)=C1 2776AL [1,0,0,0,1,0|2,0,0]=4 261 B8R1.1 O=CC1=CC(F)=CS1 3616AB [1,0,0,0,1,0|2,0,0]=4 262 B8R1.1 O=CC1=CC=C(F)S1 2922AL [1,0,0,0,1,0|2,0,0]=4 263 B8R1.7 O=C(O)C1=CSC=N1 2475AE [1,0,0,0,1,0|2,0,0]=4 264 B8R1.7 O=C(O)N1C=CC=C1 Z3516 [1,0,0,0,1,0|1,0,0]=3 265 B8R1.7 O=C([O-])C1=CC=CO1 7350AF [1,0,0,0,1,0|1,0,1]=4 266 B8R1.7 O=C([O-])C1=CC=CO1 7351AF [1,0,0,0,1,0|1,0,1]=4 267 B10R1.18 CC(=O)CC1=CN=CC=C1 4586AH [1,0,0,0,0,1|2,0,0]=4 268 B10R1.18 O=C([O-])CC1=NC=CC=C1 0459AC [1,0,0,0,0,1|1,0,1]=4 269 B12R1.21 CC(=O)CCC1=CC=C(Br)C=C1 2246AF [0,0,0,0,0,2|2,0,0]=4 270 B12R1.21 CC(=O)NCC1=CC=C(N)C=C1 N540 [0,0,0,0,0,2|2,0,0]=4 271 B12R1.21 O=C(O)CCC1=CC=C(S)C=C1 6555AL [0,0,0,0,0,2|0,1,0]=3