0 B11R1.40 CNC(=S)NC1=CC=CC=C1 BBL023221 [0,0,0,0,0,0|2,0,1]=3 1 B11R1.40 COC(=O)CC1=CC=CC=C1 BBL010506 [0,0,0,0,0,0|2,0,1]=3 2 B11R1.40 C\C(C=O)=C/C1=CC=CC=C1 BBL012658 [0,0,0,0,0,0|2,0,2]=4 3 B11R1.40 NNC(=O)CC1=CC=CC=C1 BBL008394 [0,0,0,0,0,0|2,0,1]=3 4 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 BBL018745 [0,0,0,0,0,0|3,0,1]=4 5 B11R1.40 NNC(=O)NC1=CC=CC=C1 BBL036427 [0,0,0,0,0,0|3,0,1]=4 6 B11R1.40 N\C(CC1=CC=CC=C1)=N/O BBL011916 [0,0,0,0,0,0|2,0,2]=4 7 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 BBL010795 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.17 BrCCCC1=CC=CC=C1 BBL027292 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 CNCCC1=NC=CC=C1 BBL004908 [1,0,0,0,0,0|1,0,0]=2 11 B10R1.17 NCCOC1=CC=CC=C1 BBL028054 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.17 OCCNC1=CC=CC=C1 BBL011612 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.17 OCCOC1=CC=CC=C1 BBL027410 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.17 S=C=NCC1=CC=CC=C1 BBL013129 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.18 N=C(N)CC1=CC=CC=C1 BBL029167 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.18 NC(=S)NC1=CC=CC=C1 BBL013021 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.18 O=C(Cl)CC1=CC=CC=C1 BBL011387 [1,0,0,0,0,0|2,0,1]=4 18 B12R1.34 CNC(C)C(O)C1=CC=CC=C1 BBL010298 [0,1,0,0,0,0|0,0,0]=1 19 B12R1.34 COC(=O)C(O)C1=CC=CC=C1 BBL027464 [0,1,0,0,0,0|2,0,1]=4 20 B12R1.43 CC(OC1=CC=CC=C1)C(=O)Cl BBL013950 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.43 CC(OC1=CC=CC=C1)C(=O)O BBL002385 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.43 NC(=O)C(N)CC1=CC=CC=C1 BBL013314 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.49 CNC(=O)CC1=CC=C(N)C=C1 BBL023269 [0,1,0,0,0,0|1,0,1]=3 24 B12R1.49 CNC(=S)NC1=CC=C(C)C=C1 BBL023901 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.49 NNC(=O)CC1=CC=C(Br)C=C1 BBL015374 [0,1,0,0,0,0|2,0,1]=4 26 B12R1.49 NNC(=O)CC1=CC=C(Cl)C=C1 BBL008411 [0,1,0,0,0,0|2,0,1]=4 27 B12R1.49 NNC(=O)CC1=CC=C(O)C=C1 BBL016572 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.50 CNC(=O)CC1=CC=CC(N)=C1 BBL031706 [0,1,0,0,0,0|1,0,1]=3 29 B12R1.50 CNC(=S)NC1=CC=CC(C)=C1 BBL024222 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.118 COC(CC1=CC=CC=C1)OC BBL011496 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.194 CC(C)(CN)NC1=CC=CC=C1 BBL029473 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.371 NNC(=O)CC1=CC=CC=C1Cl BBL017353 [0,1,0,0,0,0|2,0,1]=4 33 B12R2.18 CN1C2=CC=CC=C2N=C1N BBL013458 [0,0,0,1,0,0|2,0,1]=4 34 B12R2.32 OCC1CC2=CC=CC=C2O1 BBL029876 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [0,0,0,0,1,0|2,0,1]=4 36 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [0,0,0,0,1,0|2,0,1]=4 37 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [0,0,0,0,1,0|2,0,1]=4 38 B12R1.27 CCC(C)NCC1=NC=CC=C1 BBL000288 [0,0,0,0,0,1|2,0,0]=3 39 B12R1.27 COC(=O)CNC1=CC=CC=C1 BBL034685 [0,0,0,0,0,1|2,0,1]=4 40 B12R1.27 N(CC1=CC=CN=C1)C(C)CC BBL000150 [0,0,0,0,0,1|2,0,0]=3 41 B12R1.27 N(CC1=CC=NC=C1)C(C)CC BBL000054 [0,0,0,0,0,1|2,0,0]=3 42 B12R1.27 NNC(=O)CCC1=CC=CC=C1 BBL015565 [0,0,0,0,0,1|2,0,1]=4 43 B12R1.27 NNC(=O)CNC1=CC=CC=C1 BBL023232 [0,0,0,0,0,1|2,0,1]=4 44 B12R1.27 NNC(=O)CSC1=CC=CC=C1 BBL025676 [0,0,0,0,0,1|2,0,1]=4 45 B9R1.8 BrCCC1=CC=CC=C1 BBL027290 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.8 CNCC1=NC=CC=C1 BBL029574 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.8 COCC1=CC=CC=C1 BBL011461 [2,0,0,0,0,0|1,0,0]=3 48 B9R1.8 ClCCC1=CC=CC=C1 BBL027318 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 NNCC1=CC=CC=C1 BBL029077 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.8 NOCC1=CC=CC=C1 BBL040921 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.8 OCCC1=CC=CC=C1 BBL036905 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.8 OCCC1=NC=CC=C1 BBL027580 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.1 CCCCC1=CC=C(N)C=C1 BBL012657 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.1 CCCOC1=CC=C(N)C=C1 BBL034245 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.1 CCCOC1=CC=C(O)C=C1 BBL013152 [1,1,0,0,0,0|2,0,0]=4 56 B11R1.16 CCCC(=O)C1=CC=CC=C1 BBL027757 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.17 CCCOC1=C(N)C=CC=C1 BBL035841 [1,1,0,0,0,0|2,0,0]=4 58 B11R1.17 CCCSC1=CC=CC=C1N BBL034973 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.28 CCCCCC1=CC=CC=N1 BBL028033 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.28 CNCCOC1=CC=CC=C1 BBL028178 [1,1,0,0,0,0|0,0,0]=2 61 B11R1.28 N(CCC)CC1=CC=CN=C1 BBL000125 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.28 N(CCC)CC1=CC=NC=C1 BBL000137 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.28 NCCCNC1=CC=CC=C1 BBL028019 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.28 NCCNCC1=CC=CC=C1 BBL027980 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.28 NCCOCC1=CC=CC=C1 BBL003434 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.28 OCCNCC1=CC=CC=C1 BBL012101 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.28 S=C=NCCC1=CC=CC=C1 BBL009999 [1,1,0,0,0,0|0,0,2]=4 68 B11R1.91 CC(=O)CCC1=CC=CC=C1 BBL011439 [1,1,0,0,0,0|1,0,0]=3 69 B11R1.91 O=C(O)CCC1=CC=CC=C1 BBL011572 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.20 CC(C)OC1=CC=C(N)C=C1 BBL028078 [1,1,0,0,0,0|1,0,0]=3 71 B11R1.20 NC(=O)CC1=CC=C(O)C=C1 BBL012281 [1,1,0,0,0,0|1,0,1]=4 72 B11R1.86 CC(C)SC1=CC=CC=C1N BBL034974 [1,1,0,0,0,0|1,0,0]=3 73 B11R1.86 NC(=O)CC1=CC=CC=C1O BBL003575 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.157 CC(C)OC1=CC=CC(N)=C1 BBL036331 [1,1,0,0,0,0|1,0,0]=3 75 B11R1.157 NC(=O)CC1=CC=CC(N)=C1 BBL032017 [1,1,0,0,0,0|1,0,1]=4 76 B11R1.509 C[N+](C)(C)CC1=CC=CC=C1 BBL011462 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 BBL017840 [0,1,0,0,1,0|2,0,0]=4 78 B11R1.22 CCC(N)C1=CC=C(O)C=C1 BBL023689 [0,1,0,0,1,0|2,0,0]=4 79 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BBL012115 [0,1,0,0,1,0|1,0,1]=4 80 B11R1.23 CCC(N)C1=CC(Cl)=CC=C1 BBL017841 [0,1,0,0,1,0|2,0,0]=4 81 B11R1.23 CNC(=O)C1=CC(N)=CC=C1 BBL012111 [0,1,0,0,1,0|1,0,1]=4 82 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 BBL022908 [0,1,0,0,1,0|1,0,1]=4 83 B11R1.222 CNC(=O)C1=CC=CC=C1O BBL010949 [0,1,0,0,1,0|1,0,1]=4 84 B13R1.14 CNC(=O)CCC1=CC=C(N)C=C1 BBL023617 [0,1,0,0,0,1|1,0,1]=4 85 B13R1.14 N(CC1=CC=C(Br)C=C1)C(C)CC BBL025852 [0,1,0,0,0,1|1,0,0]=3 86 B13R1.14 N(CC1=CC=C(C)C=C1)C(C)CC BBL023698 [0,1,0,0,0,1|1,0,0]=3 87 B13R1.14 N(CC1=CC=C(Cl)C=C1)C(C)CC BBL025796 [0,1,0,0,0,1|1,0,0]=3 88 B13R1.15 CNC(=O)CCC1=CC(N)=CC=C1 BBL022932 [0,1,0,0,0,1|1,0,1]=4 89 B13R1.42 CNCC(=O)NCC1=CC=CC=C1 BBL029662 [0,1,0,0,0,1|1,0,1]=4 90 B13R1.42 CNCC(O)COC1=CC=CC=C1 BBL018977 [0,1,0,0,0,1|1,0,0]=3 91 B13R1.135 CNC(=O)[C@@H](N)CC1=CC=CC=C1 BBL011269 [0,1,0,0,0,1|1,0,1]=4 92 B13R1.254 N(CC1=CC=CC=C1)C(C)(C)CO BBL000122 [0,1,0,0,0,1|2,0,0]=4 93 B13R1.351 CC(SCC1=CC=CC=C1)C(=O)O BBL000512 [0,1,0,0,0,1|2,0,0]=4 94 B13R1.417 N(CC1=CC=CC=C1)C(CC)CO BBL010677 [0,1,0,0,0,1|1,0,0]=3 95 B13R1.528 CCC(C)NCC1=CC=CC=C1C BBL023726 [0,1,0,0,0,1|1,0,0]=3 96 B13R1.528 CCC(C)NCC1=CC=CC=C1Cl BBL023416 [0,1,0,0,0,1|1,0,0]=3 97 B13R1.528 CNC(=O)CCC1=C(N)C=CC=C1 BBL022931 [0,1,0,0,0,1|1,0,1]=4 98 B13R1.528 CNC(=O)COC1=C(Br)C=CC=C1 BBL017817 [0,1,0,0,0,1|1,0,1]=4 99 B13R1.44 CN(CCC#N)CC1=CC=CC=C1 BBL009274 [0,2,0,0,0,0|2,0,0]=4 100 B13R1.148 CN(C)C(=O)CC1=CC=CC(N)=C1 BBL031705 [0,2,0,0,0,0|1,0,1]=4 101 B13R1.202 CN(C)C(=O)CC1=CC=CC=C1N BBL031430 [0,2,0,0,0,0|1,0,1]=4 102 B13R1.91 CCC(C)OC1=CC=CC=C1C=O BBL034348 [0,2,0,0,0,0|2,0,0]=4 103 B11R1.25 CNC(C)CCC1=CC=CO1 BBL028733 [0,0,1,1,0,0|1,0,1]=4 104 B13R2.64 C1=CC=C(CC2=NCCN2)C=C1 BBL027502 [0,1,0,1,0,0|0,0,1]=3 105 B13R2.135 CO[C@@H]1C2=C(C=CC=C2)C[C@H]1O BBL033599 [0,1,0,1,0,0|2,0,0]=4 106 B13R2.3085 CN1C(=O)C(N)C2=CC=CC=C21 BBL010055 [0,1,0,1,0,0|1,0,1]=4 107 B13R2.187 ClC1(Cl)CC1CC2=CC=CC=C2 BBL028958 [0,1,0,1,0,0|2,0,0]=4 108 B13R2.3683 CC1CCC2=CC(F)=CC=C2N1 BBL027959 [0,1,0,1,0,0|2,0,0]=4 109 B13R2.5190 CC1=CC2=CC(N)=CC=C2N1C BBL025898 [0,1,0,1,0,0|0,0,2]=4 110 B9R1.6 N=C(N)C1=CC=CC=C1 BBL012141 [1,0,0,0,1,0|1,0,1]=4 111 B9R1.13 CC(N)CC1=CC=CO1 BBL030348 [1,0,0,0,1,0|1,0,0]=3 112 B9R1.13 CC(N)CN1C=CC=N1 BBL040014 [1,0,0,0,1,0|2,0,0]=4