0 B7R1.3 BrC1=CC=CC=N1 BBL027568 [0,0,0,0,0,0|3,0,0]=3 1 B7R1.3 BrC1=CC=NC=C1 BBL009972 [0,0,0,0,0,0|1,0,0]=1 2 B7R1.3 BrC1=CN=CC=C1 BBL027581 [0,0,0,0,0,0|3,0,0]=3 3 B7R1.3 CC1=CC=NC=C1 BBL011459 [0,0,0,0,0,0|1,0,0]=1 4 B7R1.3 ClC1=NC=CC=C1 BBL027569 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.3 ClC1=NC=CN=C1 BBL011919 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.3 FC1=CC=CC=N1 BBL010032 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.3 IC1=CC=NC=C1 BBL009973 [0,0,0,0,0,0|1,0,0]=1 8 B7R1.3 NC1=CC=CC=N1 BBL011573 [0,0,0,0,0,0|2,0,0]=2 9 B7R1.3 OC1=CC=NC=C1 BBL022970 [0,0,0,0,0,0|1,0,0]=1 10 B7R1.3 OC1=CN=CC=C1 BBL010946 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.3 OC1=NC=CC=C1 BBL027571 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.3 SC1=NC=CC=N1 BBL025630 [0,0,0,0,0,0|4,0,0]=4 13 B6R1.1 C1=CN=CC=N1 BBL027560 [1,0,0,0,0,0|1,0,0]=2 14 B6R1.1 C1=CN=NC=C1 BBL027585 [1,0,0,0,0,0|1,0,0]=2 15 B8R1.2 C=CC1=CC=CC=N1 BBL027578 [0,1,0,0,0,0|3,0,0]=4 16 B8R1.2 C=CC1=CC=NC=C1 BBL027584 [0,1,0,0,0,0|1,0,0]=2 17 B8R1.2 COC1=NC=CC=C1 BBL011495 [0,1,0,0,0,0|3,0,0]=4 18 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [0,1,0,0,0,0|3,0,0]=4 19 B8R1.2 N#CC1=CN=CC=C1 BBL037217 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.2 NCC1=CC=CN=C1 BBL036897 [0,1,0,0,0,0|2,0,0]=3 21 B8R1.2 NNC1=CC=CC=C1 BBL011601 [0,1,0,0,0,0|1,0,0]=2 22 B8R1.2 NNC1=NC=CC=C1 BBL027570 [0,1,0,0,0,0|2,0,0]=3 23 B8R1.2 O=CC1=CC=CC=N1 BBL027574 [0,1,0,0,0,0|3,0,0]=4 24 B8R1.2 O=CC1=CC=NC=C1 BBL025920 [0,1,0,0,0,0|1,0,0]=2 25 B8R1.2 OCC1=CC=CC=C1 BBL011938 [0,1,0,0,0,0|2,0,0]=3 26 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [0,1,0,0,0,0|1,0,1]=3 27 B8R1.3 CC1=CC=[N+]([O-])C=C1 BBL027567 [0,1,0,0,0,0|1,0,1]=3 28 B8R1.3 ClC1=CC=C(Br)C=N1 BBL012798 [0,1,0,0,0,0|3,0,0]=4 29 B8R1.3 FC1=CN=C(Cl)C=C1 BBL029883 [0,1,0,0,0,0|3,0,0]=4 30 B8R1.3 NC1=CC=C(N)C=C1 BBL011602 [0,1,0,0,0,0|1,0,0]=2 31 B8R1.3 NC1=CN=C(Cl)C=C1 BBL011061 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.3 O=C1C=CC(=O)C=C1 BBL010327 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.3 OC1=NC=C(Cl)C=C1 BBL027573 [0,1,0,0,0,0|3,0,0]=4 34 B8R1.4 CC1=CC(C)=NC=C1 BBL027575 [0,1,0,0,0,0|1,0,0]=2 35 B8R1.4 CC1=CC=CC(C)=N1 BBL013176 [0,1,0,0,0,0|3,0,0]=4 36 B8R1.4 NC1=CC(S)=CC=C1 BBL027659 [0,1,0,0,0,0|1,0,0]=2 37 B8R1.4 NC1=CC=CC(N)=N1 BBL011548 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.4 NC1=CC=NC(Cl)=C1 BBL009974 [0,1,0,0,0,0|0,0,0]=1 39 B8R1.4 NC1=NC(Cl)=CN=C1 BBL028064 [0,1,0,0,0,0|3,0,0]=4 40 B8R1.4 NC1=NC=CC(Cl)=C1 BBL011142 [0,1,0,0,0,0|1,0,0]=2 41 B8R1.4 [O-][N+]1=CC=CC(O)=C1 BBL027566 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.5 CC1=C(Br)C=NC=C1 BBL028165 [0,1,0,0,0,0|1,0,0]=2 43 B8R1.5 CC1=CC=NC=C1C BBL027583 [0,1,0,0,0,0|1,0,0]=2 44 B8R1.5 C[N+]1=CC=CC=C1Cl BBL011337 [0,1,0,0,0,0|3,0,0]=4 45 B8R1.5 NC1=C(I)C=CC=C1 BBL011389 [0,1,0,0,0,0|1,0,0]=2 46 B8R1.5 NC1=C(N)C=NC=C1 BBL013269 [0,1,0,0,0,0|0,0,0]=1 47 B8R1.5 NC1=C(O)C=CC=N1 BBL009590 [0,1,0,0,0,0|2,0,0]=3 48 B8R1.5 NC1=C(O)C=CN=C1 BBL011065 [0,1,0,0,0,0|1,0,0]=2 49 B8R1.5 NC1=CC=CN=C1N BBL011063 [0,1,0,0,0,0|2,0,0]=3 50 B8R1.5 OC1=C(O)N=CC=C1 BBL027572 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.5 OC1=CC=CN=C1Br BBL013305 [0,1,0,0,0,0|3,0,0]=4 52 B6R1.2 BrC1=CNC=N1 BBL011159 [0,0,0,0,1,0|2,0,1]=4 53 B6R1.2 BrC1=NC=CS1 BBL027513 [0,0,0,0,1,0|3,0,0]=4 54 B6R1.2 BrC1=NN=CN1 BBL013240 [0,0,0,0,1,0|3,0,0]=4 55 B6R1.2 CC1=NC=CN1 BBL013047 [0,0,0,0,1,0|3,0,0]=4 56 B6R1.2 CN1C=CN=C1 BBL011447 [0,0,0,0,1,0|2,0,0]=3 57 B6R1.2 ClC1=CC=CS1 BBL027523 [0,0,0,0,1,0|2,0,0]=3 58 B6R1.2 ClC1=NSN=C1 BBL033325 [0,0,0,0,1,0|3,0,0]=4 59 B6R1.2 NC1=CC=NN1 BBL008564 [0,0,0,0,1,0|1,0,0]=2 60 B6R1.2 NC1=CNN=C1 BBL012618 [0,0,0,0,1,0|1,0,0]=2 61 B6R1.2 NC1=NC=CN1 BBL029017 [0,0,0,0,1,0|2,0,0]=3 62 B6R1.2 NC1=NN=NN1 BBL012169 [0,0,0,0,1,0|3,0,0]=4 63 B6R1.2 NC1=NNC=N1 BBL012592 [0,0,0,0,1,0|2,0,1]=4 64 B6R1.2 O=C1C=CCC1 BBL100014 [0,0,0,0,1,0|1,0,2]=4 65 B6R1.2 O=C1NC=NN1 BBL028622 [0,0,0,0,1,0|3,0,0]=4 66 B6R1.2 O=C1OC=CO1 BBL027517 [0,0,0,0,1,0|3,0,0]=4 67 B6R1.2 OC1=NC=NN1 BBL033023 [0,0,0,0,1,0|3,0,0]=4 68 B6R1.2 [NH3+]N1C=NN=C1 BBL002894 [0,0,0,0,1,0|2,0,1]=4 69 B7R1.1 NCC1=CC=CO1 BBL011620 [0,1,0,0,1,0|1,0,0]=3 70 B7R1.1 NCC1=CC=NN1 BBL038226 [0,1,0,0,1,0|1,0,0]=3 71 B7R1.1 O=CC1=CN=CN1 BBL029981 [0,1,0,0,1,0|2,0,0]=4 72 B7R1.1 O=CC1=CNN=C1 BBL038290 [0,1,0,0,1,0|2,0,0]=4 73 B7R1.1 O=CC1=CSC=C1 BBL012656 [0,1,0,0,1,0|2,0,0]=4 74 B7R1.2 CC1=CC(O)=NO1 BBL033480 [0,1,0,0,1,0|2,0,0]=4 75 B7R1.2 CC1=CN=C(Br)S1 BBL031032 [0,1,0,0,1,0|2,0,0]=4 76 B7R1.2 CC1=CN=C(Cl)S1 BBL011206 [0,1,0,0,1,0|2,0,0]=4 77 B7R1.2 CC1=NN=C(N)N1 BBL007835 [0,1,0,0,1,0|2,0,0]=4 78 B7R1.2 CC1=NNC(N)=C1 BBL010620 [0,1,0,0,1,0|1,0,0]=3 79 B7R1.2 CC1=NOC(N)=C1 BBL010138 [0,1,0,0,1,0|1,0,0]=3 80 B7R1.2 CN1C=C(Br)C=N1 BBL029607 [0,1,0,0,1,0|2,0,0]=4 81 B7R1.2 CN1C=C(I)C=N1 BBL104368 [0,1,0,0,1,0|2,0,0]=4 82 B7R1.2 CN1C=CC(N)=N1 BBL028677 [0,1,0,0,1,0|1,0,1]=4 83 B7R1.2 CN1C=NC(Br)=C1 BBL037036 [0,1,0,0,1,0|2,0,0]=4 84 B7R1.2 NC1=CC(=O)CC1 BBL032125 [0,1,0,0,1,0|0,0,2]=4 85 B7R1.2 NC1=CC(O)=NO1 BBL028339 [0,1,0,0,1,0|1,0,0]=3 86 B7R1.2 NC1=CC([O-])=NO1 BBL036764 [0,1,0,0,1,0|1,0,0]=3 87 B7R1.2 NC1=NN=C(N)N1 BBL001888 [0,1,0,0,1,0|2,0,0]=4 88 B7R1.4 CC1=CC=NN1C BBL029437 [0,1,0,0,1,0|2,0,0]=4 89 B7R1.4 CC1=NC=CN1C BBL011425 [0,1,0,0,1,0|2,0,0]=4 90 B7R1.4 CC1=NNC=C1Br BBL013133 [0,1,0,0,1,0|2,0,0]=4 91 B7R1.4 CC1=NNC=C1I BBL031626 [0,1,0,0,1,0|2,0,0]=4 92 B7R1.4 CC1=NNC=C1N BBL030292 [0,1,0,0,1,0|1,0,0]=3 93 B7R1.4 IC1=C(I)NC=N1 BBL029092 [0,1,0,0,1,0|2,0,0]=4 94 B7R1.4 NC1=NNC=C1Br BBL010207 [0,1,0,0,1,0|1,0,1]=4 95 B7R1.4 NC1=NON=C1N BBL008366 [0,1,0,0,1,0|2,0,0]=4 96 B9R1.1 BrCC1=CC=C(I)C=C1 BBL028392 [0,2,0,0,0,0|2,0,0]=4 97 B9R1.1 CNC1=CC=C(Br)C=N1 BBL023686 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.1 COC1=CC=C(S)C=C1 BBL027485 [0,2,0,0,0,0|2,0,0]=4 99 B9R1.1 CSC1=CC=C(O)C=C1 BBL104214 [0,2,0,0,0,0|2,0,0]=4 100 B9R1.1 ClCC1=CC=C(Br)C=C1 BBL027953 [0,2,0,0,0,0|2,0,0]=4 101 B9R1.1 NC1=CC=C(C=O)C=C1 BBL013016 [0,2,0,0,0,0|1,0,0]=3 102 B9R1.1 NCC1=CC=C(N)C=C1 BBL012240 [0,2,0,0,0,0|1,0,0]=3 103 B9R1.1 NNC1=CC=C(Br)C=C1 BBL009630 [0,2,0,0,0,0|1,0,0]=3 104 B9R1.1 NNC1=CC=C(Cl)C=C1 BBL025596 [0,2,0,0,0,0|1,0,0]=3 105 B9R1.1 NNC1=CC=C(I)C=C1 BBL020471 [0,2,0,0,0,0|1,0,0]=3 106 B9R1.1 OCC1=CC=C(Cl)C=C1 BBL011936 [0,2,0,0,0,0|2,0,0]=4 107 B9R1.1 OCC1=CC=C(F)C=C1 BBL027470 [0,2,0,0,0,0|2,0,0]=4 108 B9R1.2 BrCC1=CC(Br)=CC=C1 BBL019514 [0,2,0,0,0,0|2,0,0]=4 109 B9R1.2 CC1=CC=CC(NN)=C1 BBL012136 [0,2,0,0,0,0|1,0,0]=3 110 B9R1.2 ClCC1=CC=CC(Br)=C1 BBL027952 [0,2,0,0,0,0|2,0,0]=4 111 B9R1.2 NC1=CC(CO)=CC=C1 BBL003537 [0,2,0,0,0,0|1,0,0]=3 112 B9R1.2 NCC1=CC(N)=CC=C1 BBL011549 [0,2,0,0,0,0|1,0,0]=3 113 B9R1.2 NNC1=CC(Br)=CC=C1 BBL020531 [0,2,0,0,0,0|1,0,0]=3 114 B9R1.2 NNC1=CC=CC(Cl)=C1 BBL020462 [0,2,0,0,0,0|1,0,0]=3 115 B9R1.2 NNC1=CC=CC(Cl)=N1 BBL012162 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.2 NNC1=CC=CC(F)=C1 BBL012159 [0,2,0,0,0,0|1,0,0]=3 117 B9R1.2 NNC1=NC(Cl)=NC=C1 BBL104190 [0,2,0,0,0,0|1,0,0]=3 118 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [0,2,0,0,0,0|1,0,0]=3 119 B9R1.6 N=C(N)C1=CC=NC=C1 BBL013969 [0,2,0,0,0,0|0,0,0]=2 120 B9R1.6 N=C(N)C1=CN=CC=C1 BBL013274 [0,2,0,0,0,0|2,0,0]=4 121 B9R1.6 NC(=S)C1=NC=CC=C1 BBL100340 [0,2,0,0,0,0|2,0,0]=4 122 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [0,2,0,0,0,0|2,0,0]=4 123 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [0,2,0,0,0,0|2,0,0]=4 124 B9R1.8 COCC1=CC=CC=C1 BBL011461 [0,2,0,0,0,0|2,0,0]=4 125 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [0,2,0,0,0,0|2,0,0]=4 126 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [0,2,0,0,0,0|1,0,0]=3 127 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [0,2,0,0,0,0|1,0,0]=3 128 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [0,2,0,0,0,0|1,0,1]=4 129 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [0,2,0,0,0,0|2,0,0]=4 130 B9R1.8 S=C=NC1=CC=CC=C1 BBL027476 [0,2,0,0,0,0|1,0,1]=4 131 B9R1.15 CC1=C(NN)C=CC=C1 BBL007626 [0,2,0,0,0,0|1,0,0]=3 132 B9R1.15 CNC1=C(N)C=CC=N1 BBL031075 [0,2,0,0,0,0|2,0,0]=4 133 B9R1.15 COC1=NC=CC=C1N BBL029047 [0,2,0,0,0,0|2,0,0]=4 134 B9R1.15 ClCC1=C(Cl)C=CC=C1 BBL012560 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.15 NC1=CC=CC=C1CO BBL027657 [0,2,0,0,0,0|1,0,0]=3 136 B9R1.15 NC1=NC=CC=C1C=O BBL012800 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.15 NNC1=C(F)C=CC=C1 BBL027973 [0,2,0,0,0,0|1,0,0]=3 138 B9R1.15 NNC1=CC=CC=C1Br BBL012157 [0,2,0,0,0,0|1,0,0]=3 139 B9R1.15 NNC1=CC=CC=C1I BBL022200 [0,2,0,0,0,0|1,0,0]=3 140 B9R1.69 CC1=C(F)C=C(N)C=C1 BBL100253 [0,2,0,0,0,0|1,0,0]=3 141 B9R1.69 CC1=C(N)C=C(N)C=C1 BBL011285 [0,2,0,0,0,0|1,0,0]=3 142 B9R1.69 CC1=CC(=O)C(O)=CO1 BBL034899 [0,2,0,0,0,0|2,0,0]=4 143 B9R1.69 CC1=CC(=O)C=CC1=O BBL037012 [0,2,0,0,0,0|2,0,0]=4 144 B9R1.69 CC1=CC(C)=C(O)C=C1 BBL011443 [0,2,0,0,0,0|2,0,0]=4 145 B9R1.69 CC1=CC(N)=C(N)C=C1 BBL013178 [0,2,0,0,0,0|1,0,0]=3 146 B9R1.69 CC1=CC(N)=C(O)C=C1 BBL001485 [0,2,0,0,0,0|1,0,0]=3 147 B9R1.69 CC1=CC(O)=C(N)C=C1 BBL002991 [0,2,0,0,0,0|1,0,0]=3 148 B9R1.69 CC1=NNC(=O)C(N)=C1 BBL005268 [0,2,0,0,0,0|1,0,0]=3 149 B9R1.69 FC1=C(Cl)N=C(Cl)N=C1 BBL028442 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.69 NC1=C(Br)C=C(Br)C=N1 BBL000187 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.69 NC1=C(Cl)C=C(Br)C=C1 BBL035749 [0,2,0,0,0,0|1,0,0]=3 152 B9R1.69 NC1=CC(Br)=CN=C1N BBL013028 [0,2,0,0,0,0|2,0,0]=4 153 B9R1.69 NC1=CC(Cl)=CC=C1Cl BBL037329 [0,2,0,0,0,0|1,0,0]=3 154 B9R1.69 NC1=CC(Cl)=CC=C1O BBL012067 [0,2,0,0,0,0|1,0,0]=3 155 B9R1.69 NC1=CC=C(Br)C=C1I BBL018997 [0,2,0,0,0,0|1,0,0]=3 156 B9R1.69 NC1=CC=C(Cl)C=C1N BBL027789 [0,2,0,0,0,0|1,0,0]=3 157 B9R1.69 NC1=CC=C(Cl)C=C1O BBL018708 [0,2,0,0,0,0|1,0,0]=3 158 B9R1.69 OC1=NC=C(I)C(O)=N1 BBL035414 [0,2,0,0,0,0|2,0,0]=4 159 B9R1.3 CC1=C(O)C(=O)C=CO1 BBL011669 [0,2,0,0,0,0|2,0,0]=4 160 B9R1.3 CC1=C(O)OC=CC1=O BBL029401 [0,2,0,0,0,0|2,0,0]=4 161 B9R1.3 CC1=CC=CC(C)=C1O BBL011609 [0,2,0,0,0,0|2,0,0]=4 162 B9R1.3 CC1=CC=CC(N)=C1O BBL000343 [0,2,0,0,0,0|1,0,0]=3 163 B9R1.3 NC1=C(F)C=CC=C1F BBL027652 [0,2,0,0,0,0|1,0,0]=3 164 B9R1.3 NC1=CC=CC(Cl)=C1N BBL018943 [0,2,0,0,0,0|1,0,0]=3 165 B9R1.3 NC1=CC=CC(Cl)=C1O BBL025753 [0,2,0,0,0,0|1,0,0]=3 166 B9R1.3 NC1=NC=NC(O)=C1N BBL007623 [0,2,0,0,0,0|1,0,0]=3 167 B9R1.3 OC1=CC=CC(O)=C1O BBL011607 [0,2,0,0,0,0|2,0,0]=4 168 B9R1.34 CC1=CC(=O)NC(N)=N1 BBL005428 [0,2,0,0,0,0|2,0,0]=4 169 B9R1.34 CC1=CC(C)=NC(Cl)=N1 BBL025788 [0,2,0,0,0,0|2,0,0]=4 170 B9R1.34 CC1=CC(O)=CC(=O)O1 BBL008420 [0,2,0,0,0,0|2,0,0]=4 171 B9R1.34 CC1=CC(O)=CC(O)=C1 BBL027377 [0,2,0,0,0,0|2,0,0]=4 172 B9R1.34 CC1=NC(C)=NC(Cl)=C1 BBL028444 [0,2,0,0,0,0|2,0,0]=4 173 B9R1.34 CC1=NC(N)=CC(=O)N1 BBL012601 [0,2,0,0,0,0|1,0,1]=4 174 B9R1.34 CC1=NC(N)=NC(O)=C1 BBL023362 [0,2,0,0,0,0|2,0,0]=4 175 B9R1.34 NC1=CC(=O)NC(=O)N1 BBL028134 [0,2,0,0,0,0|1,0,1]=4 176 B9R1.34 NC1=CC(=O)NC(N)=N1 BBL003829 [0,2,0,0,0,0|1,0,1]=4 177 B9R1.34 NC1=CC(N)=NC(=O)N1 BBL036561 [0,2,0,0,0,0|1,0,0]=3 178 B9R1.34 NC1=CC(O)=NC(N)=N1 BBL007935 [0,2,0,0,0,0|1,0,0]=3 179 B9R1.34 NC1=NC(Cl)=NC(Cl)=C1 BBL034697 [0,2,0,0,0,0|1,0,0]=3 180 B9R1.34 NC1=NC(N)=NC(N)=N1 BBL000010 [0,2,0,0,0,0|2,0,0]=4 181 B9R1.34 NC1=NC(O)=CC(O)=N1 BBL018593 [0,2,0,0,0,0|2,0,0]=4 182 B9R1.34 NC1=NC(S)=NC(O)=C1 BBL011652 [0,2,0,0,0,0|1,0,0]=3 183 B9R1.34 OC1=CC(O)=CC(O)=C1 BBL018701 [0,2,0,0,0,0|2,0,0]=4 184 B9R1.34 SC1=CC(Cl)=CC(Cl)=C1 BBL100273 [0,2,0,0,0,0|2,0,0]=4 185 B7R1.24 C1=CC=CCC=C1 BBL027452 [0,0,1,1,0,0|2,0,0]=4 186 B5R1.1 C1=CNC=C1 BBL011520 [1,0,0,0,1,0|0,0,1]=3 187 B5R1.1 C1=CSC=N1 BBL027512 [1,0,0,0,1,0|1,0,0]=3