0 B11R1.17 C=CCOC1=C(Br)N=CC=C1 BBL036749 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.17 C=CCOC1=CC=CC=C1N BBL023219 [0,0,0,0,0,0|3,0,1]=4 2 B11R1.17 CC1=CC=CC=C1OCCBr BBL028170 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.17 CCCOC1=C(N)C=CC=C1 BBL035841 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.17 CCCSC1=CC=CC=C1N BBL034973 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.17 ClC1=CC=CC=C1OCCBr BBL029543 [0,0,0,0,0,0|3,1,0]=4 6 B11R1.17 NC1=CC=CC=C1OCCO BBL013148 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.17 NCCOC1=CC=CC=C1Cl BBL002953 [0,0,0,0,0,0|3,1,0]=4 8 B11R1.17 NCCOC1=CC=CC=C1F BBL002954 [0,0,0,0,0,0|3,1,0]=4 9 B10R1.4 C=CCC1=C(O)C=CC=C1 BBL027374 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.4 CNCC1=CC=CN=C1Cl BBL036539 [1,0,0,0,0,0|1,1,0]=3 11 B10R1.4 O=C=NC1=CC=CC=C1Br BBL037642 [1,0,0,0,0,0|2,0,1]=4 12 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.17 S=C=NCC1=CC=CC=C1 BBL013129 [1,0,0,0,0,0|3,0,0]=4 19 B12R1.121 CCCOC1=CC=CC=C1C=O BBL022916 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.125 O=C(Cl)COC1=CC=CC=C1Br BBL014872 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.125 O=C(O)CCC1=C(Cl)C=CC=C1 BBL012110 [0,1,0,0,0,0|2,1,0]=4 22 B12R1.125 O=C(O)CCC1=C(F)C=CC=C1 BBL025641 [0,1,0,0,0,0|2,1,0]=4 23 B12R1.125 O=C(O)COC1=C(Br)C=CC=C1 BBL013547 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.267 CC1=CC=CC=C1CNCCO BBL000292 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.267 CCCNCC1=CC=CC=C1C BBL000293 [0,1,0,0,0,0|2,0,0]=3 26 B12R1.267 CNCCOC1=C(C)C=CC=C1 BBL023141 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.371 NNC(=O)CC1=CC=CC=C1Cl BBL017353 [0,1,0,0,0,0|1,1,1]=4 28 B12R1.374 CCCOC1=CC(C)=CC=C1N BBL019268 [0,1,0,0,0,0|3,0,0]=4 29 B12R2.24 O=C1CCC2=C(C=CC=C2)O1 BBL027621 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.32 OCC1CC2=CC=CC=C2O1 BBL029876 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.196 CN1C=CC2=C(N)C=CC=C21 BBL036797 [0,0,0,1,0,0|1,0,2]=4 32 B12R2.1081 OC1=C2CCCCC2=CC=C1 BBL025814 [0,0,0,1,0,0|2,0,0]=3 33 B10R1.29 CNCCC1=C(C)N=CS1 BBL030894 [0,0,0,0,1,0|3,0,0]=4 34 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 COCC1=CC=CC=C1 BBL011461 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [2,0,0,0,0,0|1,0,0]=3 39 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [2,0,0,0,0,0|1,0,0]=3 40 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [2,0,0,0,0,0|1,0,0]=3 41 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.15 CC1=C(NN)C=CC=C1 BBL007626 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.15 CNC1=C(N)C=CC=N1 BBL031075 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.15 ClCC1=C(Cl)C=CC=C1 BBL012560 [2,0,0,0,0,0|1,1,0]=4 45 B9R1.15 NC1=CC=CC=C1CO BBL027657 [2,0,0,0,0,0|2,0,0]=4 46 B9R1.15 NNC1=C(F)C=CC=C1 BBL027973 [2,0,0,0,0,0|1,1,0]=4 47 B9R1.15 NNC1=CC=CC=C1Br BBL012157 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.15 NNC1=CC=CC=C1I BBL022200 [2,0,0,0,0,0|1,1,0]=4 49 B11R1.41 CCOC1=CC=CC=C1NN BBL014418 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.41 COC1=CC=CC=C1CCN BBL027693 [1,1,0,0,0,0|1,0,0]=3 51 B11R1.81 CCOC1=C(Cl)C=C(N)C=C1 BBL034970 [1,1,0,0,0,0|1,1,0]=4 52 B11R1.81 CCOC1=C(N)C=C(Cl)C=C1 BBL034405 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.86 CC(C)SC1=CC=CC=C1N BBL034974 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [1,1,0,0,0,0|1,0,1]=4 55 B11R1.182 CCNC1=C(C)C=CC(O)=C1 BBL100468 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 BBL036631 [1,1,0,0,0,0|1,0,0]=3 57 B11R1.222 CCC(=O)C1=CC=CC=C1O BBL011846 [1,1,0,0,0,0|1,0,1]=4 58 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 BBL022908 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.222 CNC(=O)C1=CC=CC=C1O BBL010949 [1,1,0,0,0,0|1,0,1]=4 60 B11R1.222 NNC(=O)C1=C(Br)C=CC=C1 BBL008389 [1,1,0,0,0,0|1,0,1]=4 61 B11R1.1 CCCCC1=CC=C(N)C=C1 BBL012657 [1,1,0,0,0,0|1,0,0]=3 62 B11R1.1 CCCOC1=CC=C(N)C=C1 BBL034245 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.1 CCCOC1=CC=C(O)C=C1 BBL013152 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.16 CCCC(=O)C1=CC=CC=C1 BBL027757 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.28 CCCCCC1=CC=CC=N1 BBL028033 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.28 CNCCOC1=CC=CC=C1 BBL028178 [1,1,0,0,0,0|0,0,0]=2 67 B11R1.28 N(CCC)CC1=CC=CN=C1 BBL000125 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.28 N(CCC)CC1=CC=NC=C1 BBL000137 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.28 NCCCNC1=CC=CC=C1 BBL028019 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.28 NCCNCC1=CC=CC=C1 BBL027980 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.28 NCCOCC1=CC=CC=C1 BBL003434 [1,1,0,0,0,0|2,0,0]=4 72 B11R1.28 OCCNCC1=CC=CC=C1 BBL012101 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.28 S=C=NCCC1=CC=CC=C1 BBL009999 [1,1,0,0,0,0|0,0,2]=4 74 B11R1.40 CNC(=S)NC1=CC=CC=C1 BBL023221 [1,1,0,0,0,0|1,0,1]=4 75 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBL008394 [1,1,0,0,0,0|1,0,1]=4 77 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BBL010795 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [1,1,0,0,0,0|2,0,0]=4 80 B13R1.75 CCCOC1=C(Br)C=C(C=O)C=C1 BBL023695 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.84 CCCCOC1=CC=CC=C1C=O BBL037391 [0,2,0,0,0,0|2,0,0]=4 82 B13R1.84 CNCCOC1=CC=CC=C1OC BBL030798 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.201 NC(CC(=O)O)C1=CC=CC=C1Br BBL008169 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.202 CN(C)C(=O)CC1=CC=CC=C1N BBL031430 [0,2,0,0,0,0|1,0,1]=4 85 B13R1.528 CCC(C)NCC1=CC=CC=C1C BBL023726 [0,2,0,0,0,0|2,0,0]=4 86 B13R1.528 CCC(C)NCC1=CC=CC=C1Cl BBL023416 [0,2,0,0,0,0|1,1,0]=4 87 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 BBL022931 [0,2,0,0,0,0|1,0,0]=3 88 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 BBL017817 [0,2,0,0,0,0|0,0,1]=3 89 B13R1.528 NNC(=O)CCC1=CC=CC=C1O BBL009239 [0,2,0,0,0,0|2,0,0]=4 90 B13R1.528 NNC(=O)COC1=CC=CC=C1Br BBL015057 [0,2,0,0,0,0|1,0,1]=4 91 B13R1.158 CN(C)CCOC1=C(N)C=CC=C1 BBL036985 [0,2,0,0,0,0|1,0,0]=3 92 B13R1.555 CCCCNCC1=CC=CC=C1Cl BBL023084 [0,2,0,0,0,0|1,1,0]=4 93 B13R1.555 COCCNCC1=CC=CC=C1C BBL000307 [0,2,0,0,0,0|2,0,0]=4 94 B13R2.18 NC1=C(N2CCCC2)C=CC=C1 BBL030016 [0,1,0,1,0,0|2,0,0]=4 95 B13R2.3683 CC1CCC2=CC(F)=CC=C2N1 BBL027959 [0,1,0,1,0,0|2,0,0]=4