0 B11R1.24 CC1=CC(OCCBr)=CC=C1 BBL029542 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.24 CC1=CC=CC(NCCO)=C1 BBL022936 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.24 NC1=CC(OCCO)=CC=C1 BBL029833 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.24 NCCOC1=CC(Cl)=CC=C1 BBL008277 [0,0,0,0,0,0|3,1,0]=4 4 B10R1.10 CNCC1=CC(N)=CC=C1 BBL011550 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.10 FC1=CC=CC(N=C=S)=C1 BBL010004 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.10 NCCC1=CC=CC(F)=C1 BBL012999 [1,0,0,0,0,0|0,0,0]=1 7 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 S=C=NCC1=CC=CC=C1 BBL013129 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.17 CNCC(O)C1=CC(O)=CC=C1 BBL028092 [0,1,0,0,0,0|1,0,0]=2 15 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 BBL031706 [0,1,0,0,0,0|1,0,1]=3 16 B12R1.50 CNC(=S)NC1=CC=CC(C)=C1 BBL024222 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.226 NC1=CC=CC(CCC(=O)[O-])=C1 BBL033495 [0,1,0,0,0,0|3,0,0]=4 18 B12R1.374 CCCOC1=CC(C)=CC=C1N BBL019268 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.382 CCCOC1=CC(CN)=CC=C1 BBL023342 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.382 CCCOC1=CC=CC(C=O)=C1 BBL036960 [0,1,0,0,0,0|3,0,0]=4 21 B12R2.1081 OC1=C2CCCCC2=CC=C1 BBL025814 [0,0,0,1,0,0|2,0,0]=3 22 B10R1.29 CNCCC1=C(C)N=CS1 BBL030894 [0,0,0,0,1,0|3,0,0]=4 23 B9R1.2 BrCC1=CC(Br)=CC=C1 BBL019514 [2,0,0,0,0,0|1,1,0]=4 24 B9R1.2 CC1=CC=CC(NN)=C1 BBL012136 [2,0,0,0,0,0|2,0,0]=4 25 B9R1.2 ClCC1=CC=CC(Br)=C1 BBL027952 [2,0,0,0,0,0|1,1,0]=4 26 B9R1.2 NC1=CC(CO)=CC=C1 BBL003537 [2,0,0,0,0,0|2,0,0]=4 27 B9R1.2 NCC1=CC(N)=CC=C1 BBL011549 [2,0,0,0,0,0|1,0,0]=3 28 B9R1.2 NNC1=CC(Br)=CC=C1 BBL020531 [2,0,0,0,0,0|1,1,0]=4 29 B9R1.2 NNC1=CC=CC(Cl)=C1 BBL020462 [2,0,0,0,0,0|1,1,0]=4 30 B9R1.2 NNC1=CC=CC(F)=C1 BBL012159 [2,0,0,0,0,0|1,0,0]=3 31 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [2,0,0,0,0,0|1,0,0]=3 33 B9R1.8 COCC1=CC=CC=C1 BBL011461 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [2,0,0,0,0,0|1,0,0]=3 36 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [2,0,0,0,0,0|1,0,0]=3 37 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [2,0,0,0,0,0|1,0,0]=3 38 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 BBL011448 [1,1,0,0,0,0|0,1,1]=4 40 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 BBL017841 [1,1,0,0,0,0|0,1,0]=3 41 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 BBL012111 [1,1,0,0,0,0|1,0,1]=4 42 B11R1.23 NNC(=O)C1=CC(F)=CC=C1 BBL003554 [1,1,0,0,0,0|1,0,1]=4 43 B11R1.23 OC1=CC(C(CN)O)=CC=C1 BBL028398 [1,1,0,0,0,0|1,0,0]=3 44 B11R1.157 CC(C)OC1=CC=CC(N)=C1 BBL036331 [1,1,0,0,0,0|2,0,0]=4 45 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BBL032017 [1,1,0,0,0,0|1,0,1]=4 46 B11R1.182 CCNC1=C(C)C=CC(O)=C1 BBL100468 [1,1,0,0,0,0|2,0,0]=4 47 B11R1.182 CNCC1=C(O)C=CC(Br)=C1 BBL036631 [1,1,0,0,0,0|0,1,0]=3 48 B11R1.189 CCOC1=CC=CC(C=O)=C1 BBL034234 [1,1,0,0,0,0|2,0,0]=4 49 B11R1.192 CCOC1=CC(N)=C(N)C=C1 BBL000365 [1,1,0,0,0,0|2,0,0]=4 50 B11R1.192 CNCC1=CC(Cl)=C(O)C=C1 BBL036728 [1,1,0,0,0,0|0,1,0]=3 51 B11R1.192 NCCC1=CC(O)=C(O)C=C1 BBL013043 [1,1,0,0,0,0|1,0,0]=3 52 B11R1.1 CCCCC1=CC=C(N)C=C1 BBL012657 [1,1,0,0,0,0|1,0,0]=3 53 B11R1.1 CCCOC1=CC=C(N)C=C1 BBL034245 [1,1,0,0,0,0|2,0,0]=4 54 B11R1.1 CCCOC1=CC=C(O)C=C1 BBL013152 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.16 CCCC(=O)C1=CC=CC=C1 BBL027757 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.17 CCCOC1=C(N)C=CC=C1 BBL035841 [1,1,0,0,0,0|2,0,0]=4 57 B11R1.17 CCCSC1=CC=CC=C1N BBL034973 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.28 CCCCCC1=CC=CC=N1 BBL028033 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.28 CNCCOC1=CC=CC=C1 BBL028178 [1,1,0,0,0,0|0,0,0]=2 60 B11R1.28 N(CCC)CC1=CC=CN=C1 BBL000125 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.28 N(CCC)CC1=CC=NC=C1 BBL000137 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.28 NCCCNC1=CC=CC=C1 BBL028019 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.28 NCCNCC1=CC=CC=C1 BBL027980 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.28 NCCOCC1=CC=CC=C1 BBL003434 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.28 OCCNCC1=CC=CC=C1 BBL012101 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.28 S=C=NCCC1=CC=CC=C1 BBL009999 [1,1,0,0,0,0|0,0,2]=4 67 B11R1.40 CNC(=S)NC1=CC=CC=C1 BBL023221 [1,1,0,0,0,0|1,0,1]=4 68 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [1,1,0,0,0,0|1,0,1]=4 69 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBL008394 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BBL010795 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [1,1,0,0,0,0|1,0,0]=3 72 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [1,1,0,0,0,0|2,0,0]=4 73 B13R1.18 CCNCC(O)C1=CC(O)=CC=C1 BBL027207 [0,2,0,0,0,0|1,0,0]=3 74 B13R1.147 NC(CC(=O)O)C1=CC(F)=CC=C1 BBL008180 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.466 CNCC(O)C1=CC(O)=C(O)C=C1 BBL028091 [0,2,0,0,0,0|1,0,0]=3 76 B13R1.6 N(CCCC)CC1=CC=CC(Cl)=C1 BBL000285 [0,2,0,0,0,0|1,1,0]=4 77 B13R1.6 NCCCNCC1=CC(Cl)=CC=C1 BBL018402 [0,2,0,0,0,0|1,1,0]=4 78 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BBL022932 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.149 CN(C)CCOC1=CC=CC(N)=C1 BBL037208 [0,2,0,0,0,0|1,0,0]=3 80 B13R1.666 CCCCOC1=CC=CC(C=O)=C1 BBL036247 [0,2,0,0,0,0|2,0,0]=4 81 B13R1.148 CN(C)C(=O)CC1=CC=CC(N)=C1 BBL031705 [0,2,0,0,0,0|1,0,1]=4 82 B13R1.577 CCCCC1=CC=C(NN)C(Br)=C1 BBL008192 [0,2,0,0,0,0|1,1,0]=4 83 B13R1.577 CCCCC1=CC=C(NN)C(I)=C1 BBL008193 [0,2,0,0,0,0|1,1,0]=4 84 B13R2.3683 CC1CCC2=CC(F)=CC=C2N1 BBL027959 [0,1,0,1,0,0|1,0,0]=3 85 B13R2.369 NC1=C(O)C=C2CCCCC2=C1 BBL028254 [0,1,0,1,0,0|2,0,0]=4