0 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.17 S=C=NCC1=CC=CC=C1 BBL013129 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.8 COCC1=CC=CC=C1 BBL011461 [1,0,0,0,0,0|1,0,0]=2 12 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 O=C=NC1=CC=CC=C1 BBL013184 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [1,0,0,0,0,0|1,0,0]=2 17 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.8 S=C=NC1=CC=CC=C1 BBL027476 [1,0,0,0,0,0|2,0,1]=4 19 B11R1.1 CC1=CC=C(CN=C=S)C=C1 BBL027967 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.1 CCCCC1=CC=C(N)C=C1 BBL012657 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.1 CCCOC1=CC=C(N)C=C1 BBL034245 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.1 CCCOC1=CC=C(O)C=C1 BBL013152 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.1 NC1=CC=C(OCCO)C=C1 BBL013118 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.16 CC(N=C=S)C1=CC=CC=C1 BBL012571 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.16 CCCC(=O)C1=CC=CC=C1 BBL027757 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBL010500 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.16 O=C(C[Hg]Cl)C1=CC=CC=C1 BBL036091 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.17 C=CCOC1=CC=CC=C1N BBL023219 [0,1,0,0,0,0|2,0,1]=4 29 B11R1.17 CC1=CC=CC=C1OCCBr BBL028170 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.17 CCCOC1=C(N)C=CC=C1 BBL035841 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.17 CCCSC1=CC=CC=C1N BBL034973 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.17 ClC1=CC=CC=C1OCCBr BBL029543 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.17 NC1=CC=CC=C1OCCO BBL013148 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.17 NCCOC1=CC=CC=C1Cl BBL002953 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.17 NCCOC1=CC=CC=C1F BBL002954 [0,1,0,0,0,0|3,0,0]=4 36 B11R1.24 CC1=CC(OCCBr)=CC=C1 BBL029542 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.24 CC1=CC=CC(NCCO)=C1 BBL022936 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.24 NC1=CC(OCCO)=CC=C1 BBL029833 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.24 NCCOC1=CC(Cl)=CC=C1 BBL008277 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.28 CCCCCC1=CC=CC=N1 BBL028033 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.28 CNCCOC1=CC=CC=C1 BBL028178 [0,1,0,0,0,0|0,0,0]=1 42 B11R1.28 N(CCC)CC1=CC=CN=C1 BBL000125 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.28 N(CCC)CC1=CC=NC=C1 BBL000137 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.28 NCCCNC1=CC=CC=C1 BBL028019 [0,1,0,0,0,0|2,0,0]=3 45 B11R1.28 NCCNCC1=CC=CC=C1 BBL027980 [0,1,0,0,0,0|2,0,0]=3 46 B11R1.28 NCCOCC1=CC=CC=C1 BBL003434 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.28 OCCNCC1=CC=CC=C1 BBL012101 [0,1,0,0,0,0|2,0,0]=3 48 B11R1.28 S=C=NCCC1=CC=CC=C1 BBL009999 [0,1,0,0,0,0|0,0,2]=3 49 B11R1.40 CNC(=S)NC1=CC=CC=C1 BBL023221 [0,1,0,0,0,0|1,0,1]=3 50 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [0,1,0,0,0,0|1,0,1]=3 51 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBL008394 [0,1,0,0,0,0|1,0,1]=3 52 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 BBL018745 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.40 NNC(=O)NC1=CC=CC=C1 BBL036427 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BBL011916 [0,1,0,0,0,0|1,0,2]=4 55 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BBL010795 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.91 CC(O)C#CC1=CC=CC=C1 BBL028011 [0,1,0,0,0,0|1,0,2]=4 58 B11R1.91 NC(=O)NCC1=CC=CC=C1 BBL013146 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.91 O=C(Cl)OCC1=CC=CC=C1 BBL011517 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.91 O=C(O)CNC1=CC=CC=C1 BBL012003 [0,1,0,0,0,0|3,0,0]=4 62 B11R1.91 O=C(O)COC1=CC=CC=C1 BBL015276 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.91 O=C(O)CSC1=CC=CC=C1 BBL000591 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.12 CCNCC1=CC=CO1 BBL013868 [0,0,0,0,1,0|3,0,0]=4 65 B9R1.12 ClCCCN1C=CC=C1 BBL033037 [0,0,0,0,1,0|3,0,0]=4 66 B9R1.12 NCCCC1=CC=CO1 BBL030544 [0,0,0,0,1,0|3,0,0]=4 67 B8R1.2 COC1=NC=CC=C1 BBL011495 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.2 ClCC1=CC=CC=N1 BBL009975 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.2 NCC1=CC=CN=C1 BBL036897 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 NNC1=CC=CC=C1 BBL011601 [2,0,0,0,0,0|1,0,0]=3 71 B8R1.2 NNC1=NC=CC=C1 BBL027570 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.2 OCC1=CC=CC=C1 BBL011938 [2,0,0,0,0,0|1,0,0]=3 73 B8R1.2 [NH3+]CC1=CC=CC=C1 BBL002893 [2,0,0,0,0,0|0,0,1]=3 74 B10R1.1 CC1=CC=C(CON)C=C1 BBL039158 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.1 COCC1=CC=C(N)C=C1 BBL030690 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [1,1,0,0,0,0|1,0,0]=3 77 B10R1.1 NCCC1=CC=C(F)C=C1 BBL013000 [1,1,0,0,0,0|0,0,0]=2 78 B10R1.1 NCCC1=CC=C(O)C=C1 BBL027695 [1,1,0,0,0,0|0,0,0]=2 79 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [1,1,0,0,0,0|0,0,2]=4 80 B10R1.4 CNCC1=CC=CN=C1Cl BBL036539 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.10 CNCC1=CC(N)=CC=C1 BBL011550 [1,1,0,0,0,0|0,0,0]=2 82 B10R1.10 NCCC1=CC=CC(F)=C1 BBL012999 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [1,1,0,0,0,0|0,0,1]=3 84 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [1,1,0,0,0,0|0,0,1]=3 86 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [1,1,0,0,0,0|1,0,1]=4 87 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [1,1,0,0,0,0|0,0,1]=3 88 B10R1.18 NC(=S)NC1=CC=CC=C1 BBL013021 [1,1,0,0,0,0|1,0,1]=4 89 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.21 CNCCCC1=CC=CO1 BBL030347 [0,1,0,0,1,0|1,0,0]=3 91 B10R1.29 CNCCC1=C(C)N=CS1 BBL030894 [0,1,0,0,1,0|2,0,0]=4 92 B10R1.66 CC(=O)CCC1=CC=CO1 BBL028608 [0,1,0,0,1,0|2,0,0]=4 93 B10R1.66 CC(N)CCC1=CC=CO1 BBL028734 [0,1,0,0,1,0|2,0,0]=4 94 B12R1.1 CCCCOC1=CC=C(N)C=C1 BBL027664 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.1 CCCCOC1=CC=C(O)C=C1 BBL004099 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.1 FC1=CC=C(OCCCCl)C=C1 BBL013473 [0,2,0,0,0,0|2,0,0]=4 97 B12R1.1 N(CCO)CC1=CC=C(F)C=C1 BBL023167 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.1 NCCOCC1=CC=C(Br)C=C1 BBL036628 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 BBL015111 [0,2,0,0,0,0|0,0,0]=2 100 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 BBL009822 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.21 CC(C)NCC1=CC=C(Cl)C=C1 BBL025760 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.21 NC1=CC=C(CCC(=O)O)C=C1 BBL002117 [0,2,0,0,0,0|2,0,0]=4 103 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 BBL025794 [0,2,0,0,0,0|2,0,0]=4 104 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 BBL012597 [0,2,0,0,0,0|2,0,0]=4 105 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BBL023269 [0,2,0,0,0,0|0,0,1]=3 106 B12R1.49 CNC(=S)NC1=CC=C(C)C=C1 BBL023901 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 BBL015374 [0,2,0,0,0,0|1,0,1]=4 108 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 BBL008411 [0,2,0,0,0,0|1,0,1]=4 109 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 BBL016572 [0,2,0,0,0,0|1,0,1]=4 110 B12R1.71 CCCOC1=CC=C(C=O)C=C1 BBL027802 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 BBL028092 [0,2,0,0,0,0|0,0,0]=2 112 B12R1.30 CCCCC(=O)C1=CC=CC=C1 BBL011454 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.30 CN(CCCN)C1=CC=CC=C1 BBL009284 [0,2,0,0,0,0|2,0,0]=4 114 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 BBL010298 [0,2,0,0,0,0|0,0,0]=2 115 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 BBL027464 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.107 CC(=O)CC(O)C1=NC=CC=C1 BBL028836 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 BBL005127 [0,2,0,0,0,0|2,0,0]=4 118 B12R1.121 CCCOC1=CC=CC=C1C=O BBL022916 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.267 CC1=CC=CC=C1CNCCO BBL000292 [0,2,0,0,0,0|2,0,0]=4 122 B12R1.267 CCCNCC1=CC=CC=C1C BBL000293 [0,2,0,0,0,0|1,0,0]=3 123 B12R1.267 CNCCOC1=C(C)C=CC=C1 BBL023141 [0,2,0,0,0,0|0,0,0]=2 124 B12R1.371 NNC(=O)CC1=CC=CC=C1Cl BBL017353 [0,2,0,0,0,0|1,0,1]=4 125 B12R1.374 CCCOC1=CC(C)=CC=C1N BBL019268 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 BBL031706 [0,2,0,0,0,0|0,0,1]=3 127 B12R1.50 CNC(=S)NC1=CC=CC(C)=C1 BBL024222 [0,2,0,0,0,0|1,0,1]=4 128 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BBL033495 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.382 CCCOC1=CC(CN)=CC=C1 BBL023342 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.382 CCCOC1=CC=CC(C=O)=C1 BBL036960 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.8 CC#CCNCC1=CC=CC=C1 BBL011123 [0,2,0,0,0,0|1,0,0]=3 132 B12R1.8 CCCCNCC1=CC=CC=C1 BBL010686 [0,2,0,0,0,0|1,0,0]=3 133 B12R1.8 CCCCNCC1=CC=CN=C1 BBL000304 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.8 CCCCNCC1=NC=CC=C1 BBL000294 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.8 COCCNCC1=CC=CN=C1 BBL000297 [0,2,0,0,0,0|2,0,0]=4 136 B12R1.8 N#CCCNCC1=CC=CC=C1 BBL023619 [0,2,0,0,0,0|1,0,1]=4 137 B12R1.8 N(CC)C\C=C\C1=CC=CC=C1 BBL000124 [0,2,0,0,0,0|0,0,1]=3 138 B12R1.8 N(CCCO)CC1=CC=NC=C1 BBL000147 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.8 NCCCNCC1=CC=CC=C1 BBL015584 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.27 CCC(C)NCC1=NC=CC=C1 BBL000288 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBL034685 [0,2,0,0,0,0|1,0,1]=4 142 B12R1.27 N(CC1=CC=CN=C1)C(C)CC BBL000150 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.27 N(CC1=CC=NC=C1)C(C)CC BBL000054 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBL015565 [0,2,0,0,0,0|1,0,0]=3 145 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BBL023232 [0,2,0,0,0,0|1,0,1]=4 146 B12R1.27 NNC(=O)CSC1=CC=CC=C1 BBL025676 [0,2,0,0,0,0|1,0,1]=4 147 B12R1.27 O=C(CCl)OCC1=CC=CC=C1 BBL034736 [0,2,0,0,0,0|2,0,0]=4 148 B12R1.32 CNCC(=O)NC1=CC=CN=C1 BBL011128 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.252 CC(C)NCCC1=CC=CC=C1 BBL023458 [0,2,0,0,0,0|0,0,0]=2 150 B12R1.252 N(CC1=CC=CC=C1)CC(C)C BBL022517 [0,2,0,0,0,0|1,0,0]=3 151 B12R1.252 O=C(O)CCSC1=CC=CC=C1 BBL000175 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.252 O=C(O)CSCC1=CC=CC=C1 BBL000319 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.118 COC(CC1=CC=CC=C1)OC BBL011496 [0,2,0,0,0,0|1,0,0]=3 155 B12R1.891 CC(C)(O)CCC1=CC=CC=C1 BBL018826 [0,2,0,0,0,0|1,0,0]=3 156 B10R2.7 C1=CC2=C(C=C1)NC=C2 BBL011739 [1,0,0,1,0,0|0,0,2]=4 157 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,1,0,1,0,0|2,0,0]=4 158 B12R2.1081 O=C1CCCC2=CC=CC=C12 BBL027352 [0,1,0,1,0,0|1,0,1]=4 159 B12R2.1081 OC1=C2CCCCC2=CC=C1 BBL025814 [0,1,0,1,0,0|1,0,0]=3 160 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 BBL027331 [0,1,0,1,0,0|1,0,1]=4 161 B12R2.32 OCC1CC2=CC=CC=C2O1 BBL029876 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.196 CN1C=CC2=C(N)C=CC=C21 BBL036797 [0,1,0,1,0,0|0,0,2]=4 163 B12R2.2057 C1=CN=C(CNC2CC2)C=C1 BBL030107 [0,1,0,1,0,0|2,0,0]=4 164 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 BBL007852 [0,1,0,1,0,0|2,0,0]=4 165 B12R2.18 CN1C2=CC=CC=C2N=C1N BBL013458 [0,1,0,1,0,0|1,0,1]=4 166 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 BBL011095 [0,1,0,1,0,0|2,0,0]=4 167 B8R1.8 CNCC1=CC=NN1 BBL040747 [1,0,0,0,1,0|2,0,0]=4 168 B8R1.8 CNCC1=CN=CN1 BBL036733 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.8 NCCC1=CC=CS1 BBL001466 [1,0,0,0,1,0|1,0,0]=3 170 B8R1.8 NCCC1=CNC=N1 BBL004932 [1,0,0,0,1,0|2,0,0]=4