0 B10R1.113 CC(=O)C1=CC=CC(O)=C1 BBL010535 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 CC1=CC=CC(C(=O)O)=N1 BBL023748 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.113 CN(C)C1=NC(Cl)=CC=C1 BBL036904 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 BBL028416 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BBL027669 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.113 NC(=O)C1=NC(Cl)=CC=C1 BBL028889 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BBL037339 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.113 NC1=NC=CC(C(=O)O)=C1 BBL009435 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 BBL025793 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.113 O=C(O)C1=CC(O)=CC=C1 BBL011983 [0,0,0,0,0,0|4,0,0]=4 10 B10R1.113 O=C(O)C1=NC(O)=CC=C1 BBL010816 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.2 NNC1=NC(Cl)=NC=C1 BBL104190 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.2 O=CC1=NC(Br)=CC=C1 BBL011062 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.6 CC(=O)C1=NC=CN=C1 BBL037027 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.6 N=C(N)C1=CC=NC=C1 BBL013969 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.6 NC(=S)C1=NC=CC=C1 BBL100340 [1,0,0,0,0,0|2,1,0]=4 16 B9R1.6 O=C([O-])C1=NC=CC=C1 BBL033863 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 [NH+]1=C(C(=O)Cl)C=CC=C1 BBL035642 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.21 CC(=O)C1=CC=C(Cl)C(Cl)=C1 BBL027299 [0,1,0,0,0,0|3,0,0]=4 19 B11R1.21 CN1N=C(C(=O)O)C=CC1=O BBL012020 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 BBL008738 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 BBL011448 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 BBL012111 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.23 CNC(=O)C1=CC=NC(Cl)=C1 BBL031581 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.23 CNC(=O)C1=NC(Cl)=CC=C1 BBL031580 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 BBL029467 [0,1,0,0,0,0|2,0,0]=3 26 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 BBL028292 [0,1,0,0,0,0|2,0,0]=3 27 B11R1.74 CC1=CC(C(=O)O)=CC(=O)N1 BBL031017 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.74 CC1=NC(O)=NC(C(=O)O)=C1 BBL030988 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.74 O=C(O)C1=CC(O)=NC(O)=C1 BBL004463 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.159 CC1=CC=CC(C(=O)O)=C1O BBL023681 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.159 O=C(O)C1=CC=NC(Cl)=C1F BBL030207 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 BBL028124 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 BBL027378 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.167 CC(=O)C1=CC(N)=CC=C1O BBL028200 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.167 CC1=CC=C(O)C(C(=O)O)=C1 BBL027383 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.266 COC1=NC=CC(C(=O)O)=C1 BBL013255 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 BBL010150 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 BBL104328 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.35 CC(=O)C1=CC(Br)=CS1 BBL104318 [0,0,0,0,1,0|3,0,0]=4 40 B9R1.35 CC(=O)C1=CC=C(C)O1 BBL027428 [0,0,0,0,1,0|1,0,0]=2 41 B9R1.35 CC(=O)C1=CN(C)N=C1 BBL028299 [0,0,0,0,1,0|2,0,0]=3 42 B9R1.35 CC(=O)C1=NN(C)C=C1 BBL039361 [0,0,0,0,1,0|1,0,0]=2 43 B9R1.35 CC(N)C1=NN(C)C=C1 BBL104327 [0,0,0,0,1,0|2,0,1]=4 44 B9R1.35 CC1=CC(C(=O)Cl)=CS1 BBL014946 [0,0,0,0,1,0|3,0,0]=4 45 B9R1.35 CC1=CC=C(C(=O)Cl)S1 BBL014853 [0,0,0,0,1,0|2,0,0]=3 46 B9R1.35 CC1=CC=C(C(=O)O)S1 BBL037421 [0,0,0,0,1,0|2,0,0]=3 47 B9R1.35 CC1=CC=C([N+](=O)[O-])O1 BBL023677 [0,0,0,0,1,0|3,0,0]=4 48 B9R1.35 CC1=NC(C(=O)O)=CO1 BBL028443 [0,0,0,0,1,0|2,0,0]=3 49 B9R1.35 CC1=NC(C(=O)O)=NN1 BBL032381 [0,0,0,0,1,0|2,0,1]=4 50 B9R1.35 CC1=NOC(C(=O)O)=C1 BBL016103 [0,0,0,0,1,0|3,0,0]=4 51 B9R1.35 CN1C=C(C(=O)Cl)C=N1 BBL041082 [0,0,0,0,1,0|3,0,0]=4 52 B9R1.35 CN1C=CC(C(=O)Cl)=N1 BBL037396 [0,0,0,0,1,0|2,0,0]=3 53 B9R1.35 CN1C=CC([N+](=O)[O-])=N1 BBL038293 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.35 NC(=O)C1=CC=C(Br)O1 BBL037288 [0,0,0,0,1,0|3,0,0]=4 55 B9R1.35 NC(=O)C1=NC(Br)=NN1 BBL011211 [0,0,0,0,1,0|3,0,0]=4 56 B9R1.35 NC(=O)C1=NC(Cl)=NN1 BBL011274 [0,0,0,0,1,0|3,0,0]=4 57 B9R1.35 NC1=NC(C(=O)O)=CS1 BBL003682 [0,0,0,0,1,0|3,0,0]=4 58 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BBL014852 [0,0,0,0,1,0|3,0,0]=4 59 B9R1.35 O=C(O)C1=CC=C(Br)O1 BBL009134 [0,0,0,0,1,0|3,0,0]=4 60 B9R1.35 O=C(O)C1=CC=C(Br)S1 BBL016317 [0,0,0,0,1,0|3,0,0]=4 61 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BBL037515 [0,0,0,0,1,0|3,0,0]=4 62 B9R1.35 O=C(O)C1=CC=C(F)S1 BBL040753 [0,0,0,0,1,0|3,0,0]=4 63 B9R1.35 O=C(O)C1=CN=C(Br)S1 BBL010885 [0,0,0,0,1,0|3,0,0]=4 64 B9R1.35 O=C(O)C1=CSC(Br)=N1 BBL010836 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.41 CC(=O)C1=CC=NN1C BBL030287 [0,0,0,0,1,0|1,0,0]=2 66 B9R1.41 CC1=NNC=C1C(=O)O BBL011874 [0,0,0,0,1,0|2,0,0]=3 67 B9R1.41 CC1=NNC=C1[N+](=O)[O-] BBL027933 [0,0,0,0,1,0|3,0,0]=4 68 B9R1.41 CC1=NNN=C1C(=O)O BBL030286 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.41 CC1=NON=C1C(=O)O BBL028634 [0,0,0,0,1,0|3,0,0]=4 70 B9R1.41 CN1N=CC=C1C(=O)Cl BBL037395 [0,0,0,0,1,0|2,0,0]=3 71 B9R1.41 NC(=O)C1=C(N)SC=C1 BBL013529 [0,0,0,0,1,0|3,0,0]=4 72 B9R1.41 NC(=O)C1=CNN=C1N BBL010022 [0,0,0,0,1,0|3,0,0]=4 73 B11R1.157 CC(=O)NC1=CC(Br)=CC=C1 BBL037290 [0,0,0,0,0,1|3,0,0]=4 74 B11R1.157 CC(=O)NC1=CC=CC(N)=C1 BBL009447 [0,0,0,0,0,1|3,0,0]=4 75 B11R1.157 CC(=O)NC1=NC(Cl)=CN=C1 BBL029206 [0,0,0,0,0,1|3,0,0]=4 76 B8R1.2 C=CC1=CC=CC=N1 BBL027578 [2,0,0,0,0,0|1,0,1]=4 77 B8R1.2 C=CC1=CC=NC=C1 BBL027584 [2,0,0,0,0,0|1,0,1]=4 78 B8R1.2 COC1=NC=CC=C1 BBL011495 [2,0,0,0,0,0|2,0,0]=4 79 B8R1.2 O=CC1=CC=CC=N1 BBL027574 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.2 O=CC1=CC=NC=C1 BBL025920 [2,0,0,0,0,0|1,0,0]=3 81 B8R1.4 CC1=CC(C)=NC=C1 BBL027575 [2,0,0,0,0,0|1,0,0]=3 82 B8R1.4 CC1=CC=CC(C)=N1 BBL013176 [2,0,0,0,0,0|1,0,0]=3 83 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.15 C\C(=N/O)C1=CC=NC=C1 BBL039596 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [1,1,0,0,0,0|2,0,0]=4 88 B10R1.15 NNC(=O)C1=CC=NC=C1 BBL008409 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.15 NNC(=O)C1=NC=CC=C1 BBL003530 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.61 NC(=O)C1=C(O)C=CC=N1 BBL009297 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.14 CC1=CC=C(C(=O)NN)S1 BBL017585 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.14 CCC(=O)C1=CC=C(Br)S1 BBL037376 [0,1,0,0,1,0|2,0,0]=4 94 B10R1.14 CCC(=O)C1=CC=C(C)S1 BBL016562 [0,1,0,0,1,0|1,0,0]=3 95 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 BBL016557 [0,1,0,0,1,0|2,0,0]=4 96 B10R1.14 CCC(=O)C1=CN(C)N=C1 BBL034962 [0,1,0,0,1,0|2,0,0]=4 97 B10R1.14 CNC(=O)C1=NC(Br)=NN1 BBL011298 [0,1,0,0,1,0|2,0,0]=4 98 B10R1.14 CNC(=O)C1=NC(Cl)=NN1 BBL032789 [0,1,0,0,1,0|2,0,0]=4 99 B10R1.14 COC(=O)C1=CC=C(Br)O1 BBL009127 [0,1,0,0,1,0|2,0,0]=4 100 B10R1.14 COC(=O)C1=NC(Br)=NN1 BBL011210 [0,1,0,0,1,0|2,0,0]=4 101 B10R1.14 COC(=O)C1=NC(Cl)=NN1 BBL011200 [0,1,0,0,1,0|2,0,0]=4 102 B10R1.14 COC(=O)C1=NC(O)=NN1 BBL033532 [0,1,0,0,1,0|2,0,0]=4 103 B10R1.14 COC(=O)C1=NN(C)C=C1 BBL039022 [0,1,0,0,1,0|1,0,0]=3 104 B10R1.14 COC(=O)C1=NNC(C)=N1 BBL035269 [0,1,0,0,1,0|1,0,1]=4 105 B10R1.14 O=C(CCl)C1=CC=C(Cl)S1 BBL029191 [0,1,0,0,1,0|2,0,0]=4 106 B10R1.31 CCC1=CC=C(C(=O)Cl)S1 BBL014956 [0,1,0,0,1,0|2,0,0]=4 107 B10R1.31 CCC1=CC=C(C(=O)O)S1 BBL028250 [0,1,0,0,1,0|2,0,0]=4 108 B10R1.31 CCN1C=C(C(C)=O)C=N1 BBL016189 [0,1,0,0,1,0|2,0,0]=4 109 B10R1.31 CCN1C=CC(C(=O)Cl)=N1 BBL037399 [0,1,0,0,1,0|2,0,0]=4 110 B10R1.31 CCN1C=CC(C(=O)O)=N1 BBL001450 [0,1,0,0,1,0|2,0,0]=4 111 B10R1.31 CCN1C=CC(C(C)=O)=N1 BBL038658 [0,1,0,0,1,0|1,0,0]=3 112 B10R1.31 CCN1C=CC(C(N)=O)=N1 BBL038904 [0,1,0,0,1,0|2,0,0]=4 113 B10R1.31 O=C(O)C1=CC=C(CO)O1 BBL015780 [0,1,0,0,1,0|2,0,0]=4 114 B10R1.31 O=C(O)C1=NN(CO)C=C1 BBL039248 [0,1,0,0,1,0|2,0,0]=4 115 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 BBL014152 [0,1,0,0,1,0|2,0,0]=4 116 B10R1.59 CC(=O)C1=CC(C)=NN1C BBL038942 [0,1,0,0,1,0|2,0,0]=4 117 B10R1.59 CC(=O)C1=CN(C)N=C1C BBL039652 [0,1,0,0,1,0|2,0,0]=4 118 B10R1.59 CC1=NC(C(=O)O)=C(C)S1 BBL031605 [0,1,0,0,1,0|2,0,0]=4 119 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 BBL030451 [0,1,0,0,1,0|2,0,0]=4 120 B10R1.59 CN1C=C(Br)C(C(=O)Cl)=N1 BBL037394 [0,1,0,0,1,0|2,0,0]=4 121 B10R1.59 CN1C=C(Cl)C(C(=O)Cl)=N1 BBL041021 [0,1,0,0,1,0|2,0,0]=4 122 B10R1.59 CN1C=C(I)C(C(=O)O)=N1 BBL039420 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.59 CN1C=C(N)C(C(=O)O)=N1 BBL039761 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.39 CCN1N=CC=C1C(=O)O BBL001449 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.149 CC1=C(C(=O)NN)C=CO1 BBL008410 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.149 CN1N=CC=C1C(=O)NN BBL014362 [0,1,0,0,1,0|2,0,0]=4 127 B10R1.149 COC(=O)C1=C(C)OC=C1 BBL011396 [0,1,0,0,1,0|1,0,0]=3 128 B10R1.149 COC(=O)C1=C(N)SC=C1 BBL016875 [0,1,0,0,1,0|2,0,0]=4 129 B10R1.149 COC(=O)C1=CC=NN1C BBL038725 [0,1,0,0,1,0|1,0,0]=3 130 B10R1.149 COC(=O)C1=CNN=C1N BBL005366 [0,1,0,0,1,0|2,0,0]=4 131 B10R1.192 CC(=O)C1=C(Br)C=NN1C BBL038451 [0,1,0,0,1,0|1,0,0]=3 132 B10R1.192 CC(=O)C1=C(Cl)C=NN1C BBL039872 [0,1,0,0,1,0|1,0,0]=3 133 B10R1.192 CC1=NOC(C)=C1C(=O)Cl BBL037778 [0,1,0,0,1,0|2,0,0]=4 134 B10R1.192 CN1N=CC(Br)=C1C(=O)Cl BBL041085 [0,1,0,0,1,0|2,0,0]=4 135 B10R1.192 CN1N=CC(Cl)=C1C(=O)Cl BBL014500 [0,1,0,0,1,0|2,0,0]=4 136 B10R1.192 CN1N=CC(N)=C1C(=O)O BBL039188 [0,1,0,0,1,0|2,0,0]=4 137 B10R1.192 CN1N=CC(N)=C1C(N)=O BBL039385 [0,1,0,0,1,0|2,0,0]=4 138 B12R1.19 CC(=O)NC1=CC=C(N)C(C)=C1 BBL034785 [0,1,0,0,0,1|2,0,0]=4 139 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 BBL009710 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.367 CCC(=O)C1=CC(C)=C(C)C=C1 BBL036406 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 BBL018011 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.354 CCC(=O)C1=CC(C)=CC=C1C BBL036405 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.354 COC(=O)C1=C(Cl)C=CC(Cl)=N1 BBL028362 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 BBL010210 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.435 COC(=O)C1=CC=CC(OC)=C1 BBL027833 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BBL032252 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 BBL018252 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.511 NC1=C(C(=O)O)N=C(O)N=C1O BBL027999 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 BBL011791 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.258 CC(=O)C1=CC=CC(C(C)=O)=N1 BBL100152 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.279 CCOC1=CC=CC(C(C)=O)=C1 BBL016327 [0,2,0,0,0,0|2,0,0]=4 152 B8R1.1 CC1=CC=C(C=O)N1 BBL011859 [1,0,0,0,1,0|0,0,1]=3 153 B8R1.1 CN1C=CC(C=O)=N1 BBL104309 [1,0,0,0,1,0|1,0,0]=3 154 B8R1.1 NC1=NC=C(C=O)S1 BBL013302 [1,0,0,0,1,0|2,0,0]=4 155 B8R1.1 O=CC1=CC=C(Br)S1 BBL012655 [1,0,0,0,1,0|2,0,0]=4 156 B8R1.1 O=CC1=CC=C(Cl)S1 BBL037784 [1,0,0,0,1,0|2,0,0]=4 157 B8R1.1 O=CC1=CN=C(Br)S1 BBL030098 [1,0,0,0,1,0|2,0,0]=4 158 B8R1.11 CN1C=CC=C1C=O BBL001423 [1,0,0,0,1,0|2,0,0]=4 159 B8R1.7 CC(=O)C1=CC=CN1 BBL010104 [1,0,0,0,1,0|0,0,1]=3 160 B8R1.7 O=C(Cl)C1=CC=CS1 BBL011388 [1,0,0,0,1,0|2,0,0]=4 161 B8R1.7 O=C(Cl)C1=CSN=N1 BBL010219 [1,0,0,0,1,0|2,0,0]=4 162 B8R1.7 O=C(O)C1=CC=CO1 BBL009679 [1,0,0,0,1,0|2,0,0]=4 163 B8R1.7 O=C(O)C1=CNN=C1 BBL104304 [1,0,0,0,1,0|2,0,0]=4 164 B8R1.7 O=C(O)C1=COC=C1 BBL025800 [1,0,0,0,1,0|2,0,0]=4 165 B8R1.7 O=C(O)C1=CSN=N1 BBL010216 [1,0,0,0,1,0|2,0,0]=4 166 B8R1.7 O=C(O)C1=NN=CN1 BBL033501 [1,0,0,0,1,0|2,0,0]=4