0 B7R1.3 BrC1=CC=CC=N1 BBL027568 [0,0,0,0,0,0|2,0,0]=2 1 B7R1.3 BrC1=CC=NC=C1 BBL009972 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.3 BrC1=CN=CC=C1 BBL027581 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.3 CC1=CC=NC=C1 BBL011459 [0,0,0,0,0,0|2,0,0]=2 4 B7R1.3 ClC1=NC=CC=C1 BBL027569 [0,0,0,0,0,0|2,0,0]=2 5 B7R1.3 ClC1=NC=CN=C1 BBL011919 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.3 FC1=CC=CC=N1 BBL010032 [0,0,0,0,0,0|2,0,0]=2 7 B7R1.3 IC1=CC=NC=C1 BBL009973 [0,0,0,0,0,0|2,0,0]=2 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|1,0,0]=1 11 B7R1.3 OC1=NC=CC=C1 BBL027571 [0,0,0,0,0,0|1,0,0]=1 12 B7R1.3 SC1=NC=CC=N1 BBL025630 [0,0,0,0,0,0|2,1,0]=3 13 B6R1.1 C1=CN=CC=N1 BBL027560 [1,0,0,0,0,0|2,0,0]=3 14 B6R1.1 C1=CN=NC=C1 BBL027585 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.2 C=CC1=CC=CC=N1 BBL027578 [0,1,0,0,0,0|2,0,0]=3 16 B8R1.2 C=CC1=CC=NC=C1 BBL027584 [0,1,0,0,0,0|2,0,0]=3 17 B8R1.2 COC1=NC=CC=C1 BBL011495 [0,1,0,0,0,0|1,0,0]=2 18 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [0,1,0,0,0,0|2,0,0]=3 19 B8R1.2 N#CC1=CN=CC=C1 BBL037217 [0,1,0,0,0,0|2,0,0]=3 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|1,0,1]=3 24 B8R1.2 O=CC1=CC=NC=C1 BBL025920 [0,1,0,0,0,0|1,0,1]=3 25 B8R1.2 OCC1=CC=CC=C1 BBL011938 [0,1,0,0,0,0|0,0,0]=1 26 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [0,1,0,0,0,0|1,0,0]=2 27 B8R1.3 CC1=CC=C(Cl)N=N1 BBL036277 [0,1,0,0,0,0|3,0,0]=4 28 B8R1.3 CC1=CC=[N+]([O-])C=C1 BBL027567 [0,1,0,0,0,0|1,0,1]=3 29 B8R1.3 CC1=CN=C(S)N=C1 BBL038257 [0,1,0,0,0,0|2,1,0]=4 30 B8R1.3 ClC1=CC=C(Br)C=N1 BBL012798 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.3 FC1=CN=C(Cl)C=C1 BBL029883 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.3 NC1=CC=C(N)C=C1 BBL011602 [0,1,0,0,0,0|1,0,0]=2 33 B8R1.3 NC1=CN=C(Cl)C=C1 BBL011061 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.3 O=C1C=CC(=O)C=C1 BBL010327 [0,1,0,0,0,0|0,0,1]=2 35 B8R1.3 OC1=NC=C(Cl)C=C1 BBL027573 [0,1,0,0,0,0|1,0,0]=2 36 B8R1.4 CC1=CC(C)=NC=C1 BBL027575 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.4 CC1=CC=CC(C)=N1 BBL013176 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.4 NC1=CC(S)=CC=C1 BBL027659 [0,1,0,0,0,0|0,1,0]=2 39 B8R1.4 NC1=CC=CC(N)=N1 BBL011548 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.4 NC1=CC=NC(Cl)=C1 BBL009974 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.4 NC1=NC(Cl)=CN=C1 BBL028064 [0,1,0,0,0,0|3,0,0]=4 42 B8R1.4 NC1=NC=CC(Cl)=C1 BBL011142 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.4 [O-][N+]1=CC=CC(O)=C1 BBL027566 [0,1,0,0,0,0|1,0,0]=2 44 B8R1.5 CC1=C(Br)C=NC=C1 BBL028165 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.5 CC1=CC=NC=C1C BBL027583 [0,1,0,0,0,0|2,0,0]=3 46 B8R1.5 C[N+]1=CC=CC=C1Cl BBL011337 [0,1,0,0,0,0|2,0,0]=3 47 B8R1.5 NC1=C(I)C=CC=C1 BBL011389 [0,1,0,0,0,0|1,0,0]=2 48 B8R1.5 NC1=C(N)C=NC=C1 BBL013269 [0,1,0,0,0,0|2,0,0]=3 49 B8R1.5 NC1=C(O)C=CC=N1 BBL009590 [0,1,0,0,0,0|1,0,0]=2 50 B8R1.5 NC1=C(O)C=CN=C1 BBL011065 [0,1,0,0,0,0|1,0,0]=2 51 B8R1.5 NC1=CC=CN=C1N BBL011063 [0,1,0,0,0,0|2,0,0]=3 52 B8R1.5 OC1=C(O)N=CC=C1 BBL027572 [0,1,0,0,0,0|1,0,0]=2 53 B8R1.5 OC1=CC=CN=C1Br BBL013305 [0,1,0,0,0,0|1,0,0]=2 54 B6R0.4 C=CCCC(=O)O BBL027458 [0,0,1,0,0,0|1,0,2]=4 55 B6R1.2 BrC1=CNC=N1 BBL011159 [0,0,0,0,1,0|3,0,0]=4 56 B6R1.2 BrC1=NC=CS1 BBL027513 [0,0,0,0,1,0|3,0,0]=4 57 B6R1.2 CC1=NC=CN1 BBL013047 [0,0,0,0,1,0|3,0,0]=4 58 B6R1.2 CN1C=CN=C1 BBL011447 [0,0,0,0,1,0|3,0,0]=4 59 B6R1.2 ClC1=CC=CS1 BBL027523 [0,0,0,0,1,0|2,0,0]=3 60 B6R1.2 NC1=CC=NN1 BBL008564 [0,0,0,0,1,0|3,0,0]=4 61 B6R1.2 NC1=CNN=C1 BBL012618 [0,0,0,0,1,0|3,0,0]=4 62 B6R1.2 NC1=NC=CN1 BBL029017 [0,0,0,0,1,0|3,0,0]=4 63 B6R1.2 O=C1C=CCC1 BBL100014 [0,0,0,0,1,0|0,0,3]=4 64 B6R1.2 O=C1OC=CO1 BBL027517 [0,0,0,0,1,0|2,0,1]=4 65 B6R1.2 OC1=NC=NN1 BBL033023 [0,0,0,0,1,0|3,0,0]=4 66 B5R0.1 C\C=C\C(=O)O BBL027395 [1,0,1,0,0,0|1,0,1]=4 67 B7R0.4 C\C=C\C=C/C(=O)O BBL011617 [0,1,1,0,0,0|1,0,0]=3 68 B7R1.1 COC1=NC=CS1 BBL037422 [0,1,0,0,1,0|2,0,0]=4 69 B7R1.1 NCC1=CC=CO1 BBL011620 [0,1,0,0,1,0|2,0,0]=4 70 B7R1.1 O=CC1=CSC=C1 BBL012656 [0,1,0,0,1,0|1,0,1]=4 71 B7R1.2 CC1=CC(O)=NO1 BBL033480 [0,1,0,0,1,0|2,0,0]=4 72 B7R1.2 NC1=CC(O)=NO1 BBL028339 [0,1,0,0,1,0|2,0,0]=4 73 B7R1.2 [O-][N+]1=CN(O)C=C1 BBL028359 [0,1,0,0,1,0|2,0,0]=4 74 B9R1.1 BrCC1=CC=C(I)C=C1 BBL028392 [0,2,0,0,0,0|1,0,0]=3 75 B9R1.1 CNC1=CC=C(Br)C=N1 BBL023686 [0,2,0,0,0,0|2,0,0]=4 76 B9R1.1 COC1=CC=C(S)C=C1 BBL027485 [0,2,0,0,0,0|0,0,0]=2 77 B9R1.1 CSC1=CC=C(O)C=C1 BBL104214 [0,2,0,0,0,0|0,0,0]=2 78 B9R1.1 ClCC1=CC=C(Br)C=C1 BBL027953 [0,2,0,0,0,0|1,0,0]=3 79 B9R1.1 NC1=CC=C(C=O)C=C1 BBL013016 [0,2,0,0,0,0|0,0,1]=3 80 B9R1.1 NCC1=CC=C(N)C=C1 BBL012240 [0,2,0,0,0,0|1,0,0]=3 81 B9R1.1 NNC1=CC=C(Br)C=C1 BBL009630 [0,2,0,0,0,0|1,0,0]=3 82 B9R1.1 NNC1=CC=C(Cl)C=C1 BBL025596 [0,2,0,0,0,0|1,0,0]=3 83 B9R1.1 NNC1=CC=C(I)C=C1 BBL020471 [0,2,0,0,0,0|1,0,0]=3 84 B9R1.1 OCC1=CC=C(Cl)C=C1 BBL011936 [0,2,0,0,0,0|0,0,0]=2 85 B9R1.1 OCC1=CC=C(F)C=C1 BBL027470 [0,2,0,0,0,0|0,0,0]=2 86 B9R1.2 BrCC1=CC(Br)=CC=C1 BBL019514 [0,2,0,0,0,0|1,0,0]=3 87 B9R1.2 CC1=CC=CC(NN)=C1 BBL012136 [0,2,0,0,0,0|1,0,0]=3 88 B9R1.2 ClCC1=CC=CC(Br)=C1 BBL027952 [0,2,0,0,0,0|1,0,0]=3 89 B9R1.2 NC1=CC(CO)=CC=C1 BBL003537 [0,2,0,0,0,0|0,0,0]=2 90 B9R1.2 NCC1=CC(N)=CC=C1 BBL011549 [0,2,0,0,0,0|1,0,0]=3 91 B9R1.2 NNC1=CC(Br)=CC=C1 BBL020531 [0,2,0,0,0,0|1,0,0]=3 92 B9R1.2 NNC1=CC=CC(Cl)=C1 BBL020462 [0,2,0,0,0,0|1,0,0]=3 93 B9R1.2 NNC1=CC=CC(Cl)=N1 BBL012162 [0,2,0,0,0,0|2,0,0]=4 94 B9R1.2 NNC1=CC=CC(F)=C1 BBL012159 [0,2,0,0,0,0|1,0,0]=3 95 B9R1.2 O=CC1=NC(Br)=CC=C1 BBL011062 [0,2,0,0,0,0|1,0,1]=4 96 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [0,2,0,0,0,0|1,0,0]=3 97 B9R1.6 N=C(N)C1=CC=NC=C1 BBL013969 [0,2,0,0,0,0|2,0,0]=4 98 B9R1.6 N=C(N)C1=CN=CC=C1 BBL013274 [0,2,0,0,0,0|2,0,0]=4 99 B9R1.6 NC(=S)C1=NC=CC=C1 BBL100340 [0,2,0,0,0,0|1,1,0]=4 100 B9R1.6 O=C(Cl)C1=CC=CN=C1 BBL012969 [0,2,0,0,0,0|1,0,1]=4 101 B9R1.6 O=C(O)C1=CC=CN=C1 BBL037343 [0,2,0,0,0,0|1,0,0]=3 102 B9R1.6 O=C([O-])C1=NC=CC=C1 BBL033863 [0,2,0,0,0,0|1,0,1]=4 103 B9R1.6 [NH+]1=C(C(=O)Cl)C=CC=C1 BBL035642 [0,2,0,0,0,0|1,0,1]=4 104 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [0,2,0,0,0,0|1,0,0]=3 105 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [0,2,0,0,0,0|2,0,0]=4 106 B9R1.8 COCC1=CC=CC=C1 BBL011461 [0,2,0,0,0,0|0,0,0]=2 107 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [0,2,0,0,0,0|1,0,0]=3 108 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [0,2,0,0,0,0|1,0,0]=3 109 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [0,2,0,0,0,0|0,0,0]=2 110 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [0,2,0,0,0,0|0,0,1]=3 111 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [0,2,0,0,0,0|0,0,0]=2 112 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [0,2,0,0,0,0|1,0,0]=3 113 B9R1.8 S=C=NC1=CC=CC=C1 BBL027476 [0,2,0,0,0,0|0,1,0]=3 114 B9R1.15 CC1=C(C#N)N=CC=C1 BBL011525 [0,2,0,0,0,0|2,0,0]=4 115 B9R1.15 CC1=C(CBr)N=CC=C1 BBL038258 [0,2,0,0,0,0|2,0,0]=4 116 B9R1.15 CC1=C(NN)C=CC=C1 BBL007626 [0,2,0,0,0,0|1,0,0]=3 117 B9R1.15 CNC1=C(N)C=CC=N1 BBL031075 [0,2,0,0,0,0|2,0,0]=4 118 B9R1.15 COC1=NC=CC=C1N BBL029047 [0,2,0,0,0,0|1,0,0]=3 119 B9R1.15 ClCC1=C(Cl)C=CC=C1 BBL012560 [0,2,0,0,0,0|1,0,0]=3 120 B9R1.15 NC1=CC=CC=C1CO BBL027657 [0,2,0,0,0,0|0,0,0]=2 121 B9R1.15 NC1=NC=CC=C1C=O BBL012800 [0,2,0,0,0,0|1,0,1]=4 122 B9R1.15 NNC1=C(F)C=CC=C1 BBL027973 [0,2,0,0,0,0|1,0,0]=3 123 B9R1.15 NNC1=CC=CC=C1Br BBL012157 [0,2,0,0,0,0|1,0,0]=3 124 B9R1.15 NNC1=CC=CC=C1I BBL022200 [0,2,0,0,0,0|1,0,0]=3 125 B9R1.15 O=CC1=CC=CN=C1Cl BBL011559 [0,2,0,0,0,0|1,0,1]=4 126 B9R1.69 CC1=C(F)C=C(N)C=C1 BBL100253 [0,2,0,0,0,0|1,0,0]=3 127 B9R1.69 CC1=C(N)C=C(N)C=C1 BBL011285 [0,2,0,0,0,0|1,0,0]=3 128 B9R1.69 CC1=CC(=O)C(O)=CO1 BBL034899 [0,2,0,0,0,0|1,0,0]=3 129 B9R1.69 CC1=CC(=O)C=CC1=O BBL037012 [0,2,0,0,0,0|0,0,1]=3 130 B9R1.69 CC1=CC(C)=C(O)C=C1 BBL011443 [0,2,0,0,0,0|0,0,0]=2 131 B9R1.69 CC1=CC(N)=C(N)C=C1 BBL013178 [0,2,0,0,0,0|1,0,0]=3 132 B9R1.69 CC1=CC(N)=C(O)C=C1 BBL001485 [0,2,0,0,0,0|0,0,0]=2 133 B9R1.69 CC1=CC(O)=C(N)C=C1 BBL002991 [0,2,0,0,0,0|0,0,0]=2 134 B9R1.69 NC1=C(Br)C=C(Br)C=N1 BBL000187 [0,2,0,0,0,0|2,0,0]=4 135 B9R1.69 NC1=C(Cl)C=C(Br)C=C1 BBL035749 [0,2,0,0,0,0|1,0,0]=3 136 B9R1.69 NC1=CC(Br)=CN=C1N BBL013028 [0,2,0,0,0,0|2,0,0]=4 137 B9R1.69 NC1=CC(Cl)=CC=C1Cl BBL037329 [0,2,0,0,0,0|1,0,0]=3 138 B9R1.69 NC1=CC(Cl)=CC=C1O BBL012067 [0,2,0,0,0,0|0,0,0]=2 139 B9R1.69 NC1=CC=C(Br)C=C1I BBL018997 [0,2,0,0,0,0|1,0,0]=3 140 B9R1.69 NC1=CC=C(Cl)C=C1N BBL027789 [0,2,0,0,0,0|1,0,0]=3 141 B9R1.69 NC1=CC=C(Cl)C=C1O BBL018708 [0,2,0,0,0,0|0,0,0]=2 142 B9R1.69 OC1=NC=C(I)C(O)=N1 BBL035414 [0,2,0,0,0,0|2,0,0]=4 143 B9R1.3 CC1=C(O)C(=O)C=CO1 BBL011669 [0,2,0,0,0,0|1,0,0]=3 144 B9R1.3 CC1=C(O)OC=CC1=O BBL029401 [0,2,0,0,0,0|1,0,0]=3 145 B9R1.3 CC1=CC=CC(C)=C1O BBL011609 [0,2,0,0,0,0|0,0,0]=2 146 B9R1.3 CC1=CC=CC(N)=C1O BBL000343 [0,2,0,0,0,0|0,0,0]=2 147 B9R1.3 NC1=C(F)C=CC=C1F BBL027652 [0,2,0,0,0,0|1,0,0]=3 148 B9R1.3 NC1=CC=CC(Cl)=C1N BBL018943 [0,2,0,0,0,0|1,0,0]=3 149 B9R1.3 NC1=CC=CC(Cl)=C1O BBL025753 [0,2,0,0,0,0|0,0,0]=2 150 B9R1.3 NC1=NC=NC(O)=C1N BBL007623 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.3 OC1=CC=CC(O)=C1O BBL011607 [0,2,0,0,0,0|0,0,0]=2 152 B9R1.34 CC1=CC(O)=CC(=O)O1 BBL008420 [0,2,0,0,0,0|1,0,0]=3 153 B9R1.34 CC1=CC(O)=CC(O)=C1 BBL027377 [0,2,0,0,0,0|0,0,0]=2 154 B9R1.34 CC1=NC(N)=NC(O)=C1 BBL023362 [0,2,0,0,0,0|2,0,0]=4 155 B9R1.34 NC1=CC(O)=NC(N)=N1 BBL007935 [0,2,0,0,0,0|2,0,0]=4 156 B9R1.34 NC1=NC(O)=CC(O)=N1 BBL018593 [0,2,0,0,0,0|2,0,0]=4 157 B9R1.34 NC1=NC(S)=NC(O)=C1 BBL011652 [0,2,0,0,0,0|2,0,0]=4 158 B9R1.34 OC1=CC(O)=CC(O)=C1 BBL018701 [0,2,0,0,0,0|0,0,0]=2 159 B9R1.34 SC1=CC(Cl)=CC(Cl)=C1 BBL100273 [0,2,0,0,0,0|0,1,0]=3 160 B7R1.24 C1=CC=CCC=C1 BBL027452 [0,0,1,1,0,0|1,0,0]=3 161 B5R1.1 C1=CNC=C1 BBL011520 [1,0,0,0,1,0|1,0,0]=3 162 B5R1.1 C1=CSC=N1 BBL027512 [1,0,0,0,1,0|2,0,0]=4