0 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [0,0,0,0,0,0|1,0,2]=3 2 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BBL005528 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [1,0,0,0,0,0|2,0,1]=4 6 B9R1.6 O=C(O)C1=CC=CN=C1 BBL037343 [1,0,0,0,0,0|2,0,1]=4 7 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.8 COCC1=CC=CC=C1 BBL011461 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 S=C=NC1=CC=CC=C1 BBL027476 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.16 CC(N=C=S)C1=CC=CC=C1 BBL012571 [0,1,0,0,0,0|2,0,1]=4 18 B11R1.16 CCCC(=O)C1=CC=CC=C1 BBL027757 [0,1,0,0,0,0|0,0,2]=3 19 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBL010500 [0,1,0,0,0,0|0,0,2]=3 20 B11R1.16 CCOC(=O)C1=CC=NC=C1 BBL013187 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.16 CCOC(=O)C1=NC=CC=C1 BBL036381 [0,1,0,0,0,0|1,0,2]=4 22 B11R1.16 O=C(C[Hg]Cl)C1=CC=CC=C1 BBL036091 [0,1,0,0,0,0|1,0,2]=4 23 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BBL011845 [0,1,0,0,0,0|0,0,2]=3 24 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 BBL017840 [0,1,0,0,0,0|1,0,0]=2 25 B11R1.22 CCC(N)C1=CC=C(O)C=C1 BBL023689 [0,1,0,0,0,0|1,0,0]=2 26 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BBL012115 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BBL005648 [0,1,0,0,0,0|1,0,2]=4 28 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BBL028371 [0,1,0,0,0,0|1,0,2]=4 29 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BBL009983 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 BBL011448 [0,1,0,0,0,0|0,0,2]=3 31 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 BBL017841 [0,1,0,0,0,0|1,0,0]=2 32 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 BBL012111 [0,1,0,0,0,0|1,0,2]=4 33 B11R1.23 OC1=CC(C(CN)O)=CC=C1 BBL028398 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.222 CCC(=O)C1=CC=CC=C1O BBL011846 [0,1,0,0,0,0|0,0,2]=3 37 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 BBL022908 [0,1,0,0,0,0|1,0,2]=4 38 B11R1.222 CNC(=O)C1=CC=CC=C1O BBL010949 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.222 COC(=O)C1=CC=CC=C1O BBL010504 [0,1,0,0,0,0|1,0,2]=4 40 B9R1.11 CCC(=O)C1=CC=CS1 BBL037420 [0,0,0,0,1,0|1,0,2]=4 41 B11R1.40 CNC(=S)NC1=CC=CC=C1 BBL023221 [0,0,0,0,0,1|1,1,1]=4 42 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [0,0,0,0,0,1|1,0,2]=4 43 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BBL010795 [0,0,0,0,0,1|2,0,0]=3 44 B8R1.2 COC1=NC=CC=C1 BBL011495 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.2 NCC1=CC=CN=C1 BBL036897 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 NNC1=CC=CC=C1 BBL011601 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 OCC1=CC=CC=C1 BBL011938 [2,0,0,0,0,0|0,0,0]=2 49 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [2,0,0,0,0,0|1,0,0]=3 50 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [1,1,0,0,0,0|0,0,2]=4 51 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BBL034684 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BBL017845 [1,1,0,0,0,0|1,0,0]=3 53 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBL011981 [1,1,0,0,0,0|1,0,1]=4 54 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [1,1,0,0,0,0|0,0,2]=4 55 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 BBL017883 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.61 NC1=CC=CC=C1C(=O)O BBL025605 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.61 O=C(O)C1=C(Br)C=CC=C1 BBL025932 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.113 CC(=O)C1=CC=CC(O)=C1 BBL010535 [1,1,0,0,0,0|0,0,2]=4 60 B10R1.113 CC(N)C1=CC(O)=CC=C1 BBL023566 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 BBL017910 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.113 NC1=CC=CC(C(=O)O)=C1 BBL037339 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 BBL025793 [1,1,0,0,0,0|1,0,1]=4 64 B10R1.113 O=C(O)C1=CC(O)=CC=C1 BBL011983 [1,1,0,0,0,0|1,0,1]=4 65 B10R1.1 CC1=CC=C(CON)C=C1 BBL039158 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.1 COCC1=CC=C(N)C=C1 BBL030690 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.1 NCCC1=CC=C(F)C=C1 BBL013000 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [1,1,0,0,0,0|0,0,2]=4 71 B10R1.4 CNCC1=CC=CN=C1Cl BBL036539 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.10 CNCC1=CC(N)=CC=C1 BBL011550 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.10 NCCC1=CC=CC(F)=C1 BBL012999 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [1,1,0,0,0,0|0,0,0]=2 75 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [1,1,0,0,0,0|0,0,0]=2 76 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [1,1,0,0,0,0|0,0,2]=4 78 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [1,1,0,0,0,0|0,0,2]=4 82 B10R1.17 S=C=NCC1=CC=CC=C1 BBL013129 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.14 CCC(N)C1=CC=C(Cl)S1 BBL017907 [0,1,0,0,1,0|2,0,0]=4 86 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BBL029584 [0,1,0,0,0,1|0,0,2]=4 87 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 BBL010298 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BBL000214 [0,1,0,0,0,1|0,0,2]=4 89 B12R1.50 CCC(=O)NC1=CC(N)=CC=C1 BBL000090 [0,1,0,0,0,1|0,0,2]=4 90 B12R1.118 COC(CC1=CC=CC=C1)OC BBL011496 [0,1,0,0,0,1|1,0,0]=3 91 B12R1.194 CC(C)(CN)NC1=CC=CC=C1 BBL029473 [0,1,0,0,0,1|2,0,0]=4 92 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 BBL013225 [0,2,0,0,0,0|1,0,1]=4 93 B12R1.12 CC\C(=N/O)C1=CC=C(C)C=C1 BBL038760 [0,2,0,0,0,0|0,0,1]=3 94 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BBL012274 [0,2,0,0,0,0|0,0,0]=2 95 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 BBL029432 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 BBL010661 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 BBL008264 [0,2,0,0,0,0|0,0,2]=4 98 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 BBL027799 [0,2,0,0,0,0|0,0,2]=4 99 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 BBL012166 [0,2,0,0,0,0|0,0,2]=4 100 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 BBL015111 [0,2,0,0,0,0|0,0,0]=2 101 B12R1.17 CCNC(=O)C1=CC(N)=CC=C1 BBL023674 [0,2,0,0,0,0|0,0,2]=4 102 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 BBL028092 [0,2,0,0,0,0|0,0,0]=2 103 B12R1.30 CCCCC(=O)C1=CC=CC=C1 BBL011454 [0,2,0,0,0,0|0,0,2]=4 104 B12R1.30 CN(CCCN)C1=CC=CC=C1 BBL009284 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BBL028836 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBL005127 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.308 CCOC(=O)C1=CC=CC=C1N BBL027654 [0,2,0,0,0,0|0,0,2]=4 108 B12R1.367 CCC(=O)C1=CC(C)=C(C)C=C1 BBL036406 [0,2,0,0,0,0|0,0,2]=4 109 B12R1.367 CCC(=O)C1=CC=C(O)C(O)=C1 BBL034668 [0,2,0,0,0,0|0,0,2]=4 110 B12R1.367 CCC(C)C1=CC(N)=C(O)C=C1 BBL027903 [0,2,0,0,0,0|1,0,0]=3 111 B12R1.354 CCC(=O)C1=CC(C)=CC=C1C BBL036405 [0,2,0,0,0,0|0,0,2]=4 112 B12R1.354 CCC(N)C1=C(Cl)C=CC(Cl)=C1 BBL008269 [0,2,0,0,0,0|1,0,0]=3 113 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,0,0,1,0,1|0,0,2]=4 114 B12R2.32 OCC1CC2=CC=CC=C2O1 BBL029876 [0,0,0,1,0,1|1,0,0]=3 115 B12R2.1081 O=C1CCCC2=CC=CC=C12 BBL027352 [0,1,0,1,0,0|0,0,2]=4 116 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 BBL027331 [0,1,0,1,0,0|0,0,2]=4 117 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 BBL011095 [0,1,0,1,0,0|2,0,0]=4 118 B8R1.8 NCCC1=CC=CS1 BBL001466 [1,0,0,0,1,0|2,0,0]=4 119 B12R1.27 CCC(C)NCC1=NC=CC=C1 BBL000288 [0,0,0,0,0,2|2,0,0]=4 120 B12R1.27 N(CC1=CC=CN=C1)C(C)CC BBL000150 [0,0,0,0,0,2|2,0,0]=4 121 B12R1.27 N(CC1=CC=NC=C1)C(C)CC BBL000054 [0,0,0,0,0,2|2,0,0]=4