0 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.15 C\C(=N/O)C1=CC=NC=C1 BBL039596 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.15 C\C(=N/O)C1=CN=CC=C1 BBL036784 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [0,0,0,0,0,0|1,0,1]=2 5 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [0,0,0,0,0,0|2,0,1]=3 6 B10R1.15 NNC(=O)C1=CC=NC=C1 BBL008409 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 NNC(=O)C1=CN=CC=C1 BBL003565 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.15 NNC(=O)C1=NC=CC=C1 BBL003530 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.15 N\C(=N/O)C1=CC=CC=C1 BBL005528 [0,0,0,0,0,0|3,0,1]=4 10 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.6 N=C(N)C1=CC=NC=C1 BBL013969 [1,0,0,0,0,0|2,0,1]=4 12 B9R1.6 N=C(N)C1=CN=CC=C1 BBL013274 [1,0,0,0,0,0|2,0,1]=4 13 B9R1.6 NC(=S)C1=NC=CC=C1 BBL100340 [1,0,0,0,0,0|2,0,1]=4 14 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 COCC1=CC=CC=C1 BBL011461 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [1,0,0,0,0,0|1,0,0]=2 19 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [1,0,0,0,0,0|1,0,0]=2 20 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [1,0,0,0,0,0|1,0,0]=2 22 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.8 S=C=NC1=CC=CC=C1 BBL027476 [1,0,0,0,0,0|2,0,1]=4 24 B11R1.7 NNS(=O)(=O)C1=CC=CC=C1 BBL000063 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.16 CC(N=C=S)C1=CC=CC=C1 BBL012571 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.16 CCCC(=O)C1=CC=CC=C1 BBL027757 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBL010500 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.16 O=C(C[Hg]Cl)C1=CC=CC=C1 BBL036091 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BBL011845 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 BBL017840 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.22 CCC(N)C1=CC=C(O)C=C1 BBL023689 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BBL028371 [0,1,0,0,0,0|1,0,1]=3 33 B11R1.22 NCC(O)C1=CC=C(O)C=C1 BBL009983 [0,1,0,0,0,0|1,0,0]=2 34 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 BBL023523 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 BBL003589 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 BBL003523 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 BBL008415 [0,1,0,0,0,0|2,0,1]=4 38 B11R1.23 CC1=CC=CC(C(=O)NN)=C1 BBL008738 [0,1,0,0,0,0|2,0,1]=4 39 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 BBL011448 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 BBL017841 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 BBL003554 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.23 NNC(=O)C1=CC(O)=CC=C1 BBL037273 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.23 OC1=CC(C(CN)O)=CC=C1 BBL028398 [0,1,0,0,0,0|1,0,0]=2 44 B11R1.36 NC(C(=O)O)C1=CC=CC=C1 BBL016492 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 BBL028097 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.222 CC1=C(C(=O)NN)C=CC=C1 BBL008111 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.222 CCC(=O)C1=CC=CC=C1O BBL011846 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.222 C\C(=N\O)C1=C(O)C=CC=C1 BBL023001 [0,1,0,0,0,0|2,0,1]=4 49 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 BBL008389 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.222 NNC(=O)C1=C(N)C=CC=C1 BBL008412 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.222 NNC(=O)C1=C(O)C=CC=C1 BBL008416 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.222 NNC(=O)C1=CC=CC=C1Cl BBL008395 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.222 NNC(=O)C1=CC=CC=C1I BBL014372 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [0,0,0,0,0,1|1,0,2]=4 55 B11R1.40 NCC(=O)NC1=CC=NC=C1 BBL007617 [0,0,0,0,0,1|2,0,1]=4 56 B11R1.40 NCC(=O)NC1=NC=CC=C1 BBL011243 [0,0,0,0,0,1|2,0,1]=4 57 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBL008394 [0,0,0,0,0,1|2,0,1]=4 58 B11R1.40 NNC(=O)NC1=CC=CC=C1 BBL036427 [0,0,0,0,0,1|2,0,1]=4 59 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BBL010795 [0,0,0,0,0,1|2,0,0]=3 60 B8R1.2 COC1=NC=CC=C1 BBL011495 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.2 NCC1=CC=CN=C1 BBL036897 [2,0,0,0,0,0|1,0,0]=3 63 B8R1.2 NNC1=CC=CC=C1 BBL011601 [2,0,0,0,0,0|1,0,0]=3 64 B8R1.2 NNC1=NC=CC=C1 BBL027570 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.2 OCC1=CC=CC=C1 BBL011938 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [2,0,0,0,0,0|0,0,1]=3 67 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.13 CC(N)C1=CC=C(Br)C=C1 BBL034684 [1,1,0,0,0,0|0,0,0]=2 69 B10R1.13 CC(N)C1=CC=C(Cl)C=C1 BBL017845 [1,1,0,0,0,0|0,0,0]=2 70 B10R1.13 N=C(N)C1=CC=C(F)C=C1 BBL013947 [1,1,0,0,0,0|1,0,1]=4 71 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BBL007616 [1,1,0,0,0,0|1,0,1]=4 72 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BBL011581 [1,1,0,0,0,0|1,0,1]=4 73 B10R1.13 NC(=S)C1=CC=C(O)C=C1 BBL010014 [1,1,0,0,0,0|1,0,1]=4 74 B10R1.61 CC(=O)C1=C(O)C=CC=C1 BBL012126 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 BBL017883 [1,1,0,0,0,0|0,0,0]=2 76 B10R1.61 NC(=O)C1=C(O)C=CC=C1 BBL016007 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.61 NC(=O)C1=CC=CC=C1N BBL012278 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.61 NC(=S)C1=CC=CC=C1N BBL018382 [1,1,0,0,0,0|1,0,1]=4 79 B10R1.61 NC(C)C1=C(C)C=CC=C1 BBL036386 [1,1,0,0,0,0|0,0,0]=2 80 B10R1.113 CC(=O)C1=CC=CC(O)=C1 BBL010535 [1,1,0,0,0,0|1,0,1]=4 81 B10R1.113 CC(N)C1=CC(O)=CC=C1 BBL023566 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.113 CC(N)C1=CC=CC(Cl)=C1 BBL017910 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.113 CN(C)C1=NC(Cl)=CC=C1 BBL036904 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.113 NC(=O)C1=CC(N)=CC=C1 BBL027669 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.1 CC1=CC=C(CON)C=C1 BBL039158 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.1 COCC1=CC=C(N)C=C1 BBL030690 [1,1,0,0,0,0|2,0,0]=4 87 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.1 NCCC1=CC=C(F)C=C1 BBL013000 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [1,1,0,0,0,0|0,0,0]=2 90 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.10 CNCC1=CC(N)=CC=C1 BBL011550 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.10 NCCC1=CC=CC(F)=C1 BBL012999 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [1,1,0,0,0,0|1,0,0]=3 95 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [1,1,0,0,0,0|1,0,1]=4 97 B10R1.17 NCCNC1=NC=CC=N1 BBL010886 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.17 S=C=NCC1=CC=CC=C1 BBL013129 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [1,1,0,0,0,0|0,0,1]=3 104 B10R1.18 NC(=S)NC1=CC=CC=C1 BBL013021 [1,1,0,0,0,0|1,0,1]=4 105 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [1,1,0,0,0,0|1,0,1]=4 106 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BBL029584 [0,1,0,0,0,1|1,0,1]=4 107 B12R1.34 CN(C(=O)CN)C1=CC=CC=C1 BBL011225 [0,1,0,0,0,1|1,0,1]=4 108 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 BBL010298 [0,1,0,0,0,1|2,0,0]=4 109 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BBL013950 [0,1,0,0,0,1|1,0,1]=4 110 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBL002385 [0,1,0,0,0,1|1,0,1]=4 111 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [0,1,0,0,0,1|1,0,1]=4 112 B12R1.50 NCC(=O)NC1=CC=CC(Cl)=C1 BBL011247 [0,1,0,0,0,1|1,0,1]=4 113 B12R1.118 COC(CC1=CC=CC=C1)OC BBL011496 [0,1,0,0,0,1|2,0,0]=4 114 B12R1.194 CC(C)(CN)NC1=CC=CC=C1 BBL029473 [0,1,0,0,0,1|0,0,0]=2 115 B12R1.371 NCC(=O)NC1=CC=CC=C1Cl BBL011217 [0,1,0,0,0,1|1,0,1]=4 116 B12R1.39 NCCS(=O)(=O)C1=CC=CC=C1 BBL013225 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.478 CCC(C(=O)O)C1=CC=CC=C1 BBL012274 [0,2,0,0,0,0|1,0,1]=4 118 B12R1.478 CN(C)C(CN)C1=CC=CC=C1 BBL029432 [0,2,0,0,0,0|0,0,0]=2 119 B12R1.478 O=C(O)C(CO)C1=CC=CC=C1 BBL010661 [0,2,0,0,0,0|1,0,1]=4 120 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 BBL015111 [0,2,0,0,0,0|1,0,0]=3 121 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 BBL028092 [0,2,0,0,0,0|1,0,0]=3 122 B12R1.30 CN(CCCN)C1=CC=CC=C1 BBL009284 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBL005127 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.20 NC(=O)C(N)C1=CC=C(O)C=C1 BBL032160 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.367 CCC(C)C1=CC(N)=C(O)C=C1 BBL027903 [0,2,0,0,0,0|1,0,0]=3 126 B12R1.354 CCC(N)C1=C(Cl)C=CC(Cl)=C1 BBL008269 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.435 COC1=CC(C(=O)CN)=CC=C1 BBL032252 [0,2,0,0,0,0|1,0,1]=4 128 B10R2.7 C1=CC2=C(C=C1)NC=C2 BBL011739 [1,0,0,1,0,0|0,0,2]=4 129 B12R2.18 NC1C(=O)NC2=CC=CC=C21 BBL010068 [0,0,0,1,0,1|1,0,1]=4 130 B12R2.32 NCC1=NC2=CC=CC=C2N1 BBL007911 [0,0,0,1,0,1|1,0,1]=4 131 B12R2.32 OCC1CC2=CC=CC=C2O1 BBL029876 [0,0,0,1,0,1|1,0,0]=3 132 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 BBL011095 [0,1,0,1,0,0|1,0,0]=3 133 B12R2.203 CC1=CNC2=C1C(O)=CC=C2 BBL030378 [0,1,0,1,0,0|0,0,2]=4 134 B8R1.8 NCCC1=CC=CS1 BBL001466 [1,0,0,0,1,0|1,0,0]=3 135 B8R1.8 NCCC1=CNC=N1 BBL004932 [1,0,0,0,1,0|2,0,0]=4 136 B12R1.27 CCC(C)NCC1=NC=CC=C1 BBL000288 [0,0,0,0,0,2|2,0,0]=4 137 B12R1.27 N(CC1=CC=CN=C1)C(C)CC BBL000150 [0,0,0,0,0,2|2,0,0]=4 138 B12R1.27 N(CC1=CC=NC=C1)C(C)CC BBL000054 [0,0,0,0,0,2|2,0,0]=4