0 B12R1.16 CC1=CC=C(C(N)CCO)C=C1 P36618 [1,0,0,0,0,0|2,0,0]=3 1 B12R1.16 CC1=CC=C([C@@H](N)CCO)C=C1 P42260 [1,0,0,0,0,0|2,0,0]=3 2 B12R1.16 CC1=CC=C([C@H](N)CCO)C=C1 P42755 [1,0,0,0,0,0|2,0,0]=3 3 B12R1.16 CN(CCO)C1=NC=C(N)C=C1 Q57086 [1,0,0,0,0,0|3,0,0]=4 4 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 P36052 [1,0,0,0,0,0|2,0,0]=3 5 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 P36616 [1,0,0,0,0,0|2,0,0]=3 6 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 P37084 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.16 NC1=CC=C(C(N)CCO)C=C1 P35426 [1,0,0,0,0,0|1,0,0]=2 8 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 P42566 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 P35435 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.16 N[C@@H](CCO)C1=CC=C(F)C=C1 P39529 [1,0,0,0,0,0|2,0,0]=3 11 B12R1.16 N[C@H](CCO)C1=CC=C(Br)C=C1 P42268 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.16 N[C@H](CCO)C1=CC=C(Cl)C=C1 P42266 [1,0,0,0,0,0|2,0,0]=3 13 B12R1.16 N[C@H](CCO)C1=CC=C(F)C=C1 P39530 [1,0,0,0,0,0|2,0,0]=3 14 B12R1.16 OCCC(O)C1=CC=C(Br)C=C1 P39649 [1,0,0,0,0,0|1,0,0]=2 15 B12R1.20 CC(C(=O)O)C1=CC=C(N)C=C1 Q65925 [1,0,0,0,0,0|2,0,1]=4 16 B12R1.20 CC(C)C(N)C1=CC=C(Cl)C=C1 P36067 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 P37279 [1,0,0,0,0,0|1,0,0]=2 18 B12R1.20 CC(N)C(O)C1=CC=C(Cl)C=C1 P39460 [1,0,0,0,0,0|1,0,0]=2 19 B12R1.20 CC1=CC=C(C(N)C(C)C)C=C1 P35720 [1,0,0,0,0,0|3,0,0]=4 20 B12R1.49 CC1=CC=C(CC(N)CO)C=C1 P38590 [1,0,0,0,0,0|1,0,0]=2 21 B12R1.49 CC1=CC=C(C[C@H](N)CO)C=C1 P35566 [1,0,0,0,0,0|1,0,0]=2 22 B12R1.49 NC(CO)CC1=CC=C(Br)C=C1 P35633 [1,0,0,0,0,0|1,0,0]=2 23 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 P38593 [1,0,0,0,0,0|1,0,0]=2 24 B12R1.49 NC(CO)CC1=CC=C(F)C=C1 P38588 [1,0,0,0,0,0|1,0,0]=2 25 B12R1.49 NC1=CC=C(NC(=O)CO)C=C1 P40684 [1,0,0,0,0,0|2,0,1]=4 26 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 P39975 [1,0,0,0,0,0|1,0,0]=2 27 B12R1.49 N[C@@H](CO)CC1=CC=C(F)C=C1 P38643 [1,0,0,0,0,0|1,0,0]=2 28 B12R1.49 N[C@@H](CO)CC1=CC=C(O)C=C1 M23085 [1,0,0,0,0,0|1,0,0]=2 29 B12R1.49 N[C@H](CO)CC1=CC=C(Br)C=C1 P36332 [1,0,0,0,0,0|1,0,0]=2 30 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 P39974 [1,0,0,0,0,0|1,0,0]=2 31 B12R1.49 N[C@H](CO)CC1=CC=C(F)C=C1 P40016 [1,0,0,0,0,0|1,0,0]=2 32 B12R1.49 N[C@H](CO)CC1=CC=C(O)C=C1 P37803 [1,0,0,0,0,0|1,0,0]=2 33 B14R2.91 NC1=CC=C(N2CCC2CO)C=C1 P38667 [0,0,0,1,0,0|3,0,0]=4 34 B11R1.1 BrCCCC1=CC=C(Br)C=C1 O28558 [2,0,0,0,0,0|2,0,0]=4 35 B11R1.1 CC1=CC=C(CCCN)C=C1 P37491 [2,0,0,0,0,0|2,0,0]=4 36 B11R1.1 CC1=CC=C(CCCO)C=C1 P37548 [2,0,0,0,0,0|1,0,0]=3 37 B11R1.1 CC1=CC=C(OCCO)C=C1 P41034 [2,0,0,0,0,0|2,0,0]=4 38 B11R1.1 ClC1=CC=C(CCCBr)C=C1 P36856 [2,0,0,0,0,0|2,0,0]=4 39 B11R1.1 FC1=CC=C(CCCBr)C=C1 P39413 [2,0,0,0,0,0|2,0,0]=4 40 B11R1.1 NC1=CC=C(CCCO)C=C1 O28226 [2,0,0,0,0,0|0,0,0]=2 41 B11R1.1 NC1=CC=C(NCCO)C=C1 P40155 [2,0,0,0,0,0|1,0,0]=3 42 B11R1.1 NC1=CC=C(OCCO)C=C1 P36875 [2,0,0,0,0,0|1,0,0]=3 43 B11R1.1 NC1=NC=C(CCCO)C=N1 L20150 [2,0,0,0,0,0|2,0,0]=4 44 B11R1.1 NCCCC1=CC=C(Br)C=C1 P36773 [2,0,0,0,0,0|2,0,0]=4 45 B11R1.1 NCCCC1=CC=C(Cl)C=C1 P40263 [2,0,0,0,0,0|2,0,0]=4 46 B11R1.1 NCCCC1=CC=C(F)C=C1 P43064 [2,0,0,0,0,0|2,0,0]=4 47 B11R1.1 NCCCC1=CC=C(N)C=C1 P35188 [2,0,0,0,0,0|1,0,0]=3 48 B11R1.1 NCCOC1=CC=C(N)C=C1 P36425 [2,0,0,0,0,0|2,0,0]=4 49 B11R1.1 OCCCC1=CC=C(Br)C=C1 P39318 [2,0,0,0,0,0|1,0,0]=3 50 B11R1.1 OCCCC1=CC=C(F)C=C1 P36540 [2,0,0,0,0,0|1,0,0]=3 51 B11R1.1 OCCOC1=CC=C(Br)C=C1 P38648 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.1 OCCOC1=CC=C(Cl)C=C1 P40217 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.1 OCCOC1=CC=C(F)C=C1 P39022 [2,0,0,0,0,0|2,0,0]=4 54 B11R1.1 OCCOC1=CC=C(I)C=C1 P39004 [2,0,0,0,0,0|2,0,0]=4 55 B11R1.16 CC(CCN)C1=CC=CC=C1 P38414 [2,0,0,0,0,0|2,0,0]=4 56 B11R1.16 CCCC(N)C1=CC=CC=C1 P39016 [2,0,0,0,0,0|2,0,0]=4 57 B11R1.16 NCCC(O)C1=CC=CC=C1 P37784 [2,0,0,0,0,0|1,0,0]=3 58 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 P35908 [2,0,0,0,0,0|1,0,0]=3 59 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 P40616 [2,0,0,0,0,0|1,0,0]=3 60 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 Q62763 [2,0,0,0,0,0|1,0,0]=3 61 B11R1.22 CC(CN)C1=CC=C(Br)C=C1 P39316 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.22 CC(CN)C1=CC=C(F)C=C1 P38013 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.22 CC1=CC=C(C(N)CO)C=C1 P40922 [2,0,0,0,0,0|2,0,0]=4 64 B11R1.22 CC1=CC=C(C(O)CN)C=C1 P37591 [2,0,0,0,0,0|1,0,0]=3 65 B11R1.22 CC1=CC=C([C@@H](N)CO)C=C1 P36899 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.22 CC1=CC=C([C@H](N)CO)C=C1 P38803 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.22 CCC(N)C1=CC=C(Br)C=C1 P36287 [2,0,0,0,0,0|2,0,0]=4 68 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 P36295 [2,0,0,0,0,0|2,0,0]=4 69 B11R1.22 CCC(N)C1=CC=C(F)C=C1 P36286 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.22 CCC(O)C1=CC=C(Cl)C=C1 P41437 [2,0,0,0,0,0|1,0,0]=3 71 B11R1.22 CCN(C)C1=CC=C(N)C=C1 P39418 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.22 NC(CO)C1=CC=C(Br)C=C1 P39994 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.22 NC(CO)C1=CC=C(Cl)C=C1 P40406 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.22 NC(CO)C1=CC=C(F)C=C1 P41377 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.22 NCC(O)C1=CC=C(Br)C=C1 P38182 [2,0,0,0,0,0|1,0,0]=3 76 B11R1.22 NCC(O)C1=CC=C(Cl)C=C1 P38165 [2,0,0,0,0,0|1,0,0]=3 77 B11R1.22 NCC(O)C1=CC=C(F)C=C1 P38012 [2,0,0,0,0,0|1,0,0]=3 78 B11R1.22 N[C@@H](CO)C1=CC=C(Br)C=C1 P38585 [2,0,0,0,0,0|2,0,0]=4 79 B11R1.22 N[C@@H](CO)C1=CC=C(Cl)C=C1 P42773 [2,0,0,0,0,0|2,0,0]=4 80 B11R1.22 N[C@@H](CO)C1=CC=C(F)C=C1 P40509 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.22 N[C@H](CO)C1=CC=C(Br)C=C1 P43288 [2,0,0,0,0,0|2,0,0]=4 82 B11R1.22 N[C@H](CO)C1=CC=C(Cl)C=C1 P40187 [2,0,0,0,0,0|2,0,0]=4 83 B11R1.22 N[C@H](CO)C1=CC=C(F)C=C1 P39567 [2,0,0,0,0,0|2,0,0]=4 84 B11R1.20 CC(N)CC1=CC=C(Br)C=C1 P41684 [2,0,0,0,0,0|1,0,0]=3 85 B11R1.20 CN(C)CC1=CC=C(N)C=C1 P36889 [2,0,0,0,0,0|2,0,0]=4 86 B11R1.20 NC(=O)CC1=CC=C(N)C=C1 O31092 [2,0,0,0,0,0|0,0,2]=4 87 B11R1.36 CC(C)C(C)C1=CC=CC=C1 P43269 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.36 CC(C)C(N)C1=CC=CC=C1 P36744 [2,0,0,0,0,0|2,0,0]=4 89 B11R1.36 CC(C)C(O)C1=CC=NC=C1 L20534 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.40 C=C[C@@H](N)CC1=CC=CC=C1 P51547 [2,0,0,0,0,0|1,0,1]=4 91 B11R1.40 CCC(N)CC1=CC=CC=C1 P38928 [2,0,0,0,0,0|1,0,0]=3 92 B11R1.40 NC(CO)CC1=CC=CC=C1 P36941 [2,0,0,0,0,0|0,0,0]=2 93 B13R1.132 O=C(O)CC(O)C1=CC=C(O)C=C1 M23080 [1,1,0,0,0,0|1,0,1]=4 94 B13R1.452 COC1=CC=C(C(N)CCO)C=C1 P36617 [1,1,0,0,0,0|2,0,0]=4 95 B13R1.452 COC1=CC=C([C@@H](N)CCO)C=C1 P35434 [1,1,0,0,0,0|2,0,0]=4 96 B13R1.452 COC1=CC=C([C@H](N)CCO)C=C1 P42756 [1,1,0,0,0,0|2,0,0]=4 97 B13R1.1511 OCCC(O)C1=CC=C(Cl)C=C1Cl P35712 [1,1,0,0,0,0|1,0,0]=3 98 B13R1.525 NC1=CC=C(C(O)C(F)(F)F)C=C1 F-4575 [1,1,0,0,0,0|2,0,0]=4 99 B13R1.5 COC1=CC=C(CC(N)CO)C=C1 P40488 [1,1,0,0,0,0|1,0,0]=3 100 B13R1.5 COC1=CC=C(C[C@H](N)CO)C=C1 P39832 [1,1,0,0,0,0|1,0,0]=3 101 B13R1.133 N[C@@H](CC1=CC=C(O)C=C1)C(=O)O 10746 [1,1,0,0,0,0|1,0,1]=4 102 B13R1.2679 CCC(N)CC1=CC=C(Cl)C=C1Cl P43116 [1,1,0,0,0,0|2,0,0]=4 103 B13R1.2679 NC(CO)CC1=CC=C(Cl)C=C1Cl P38430 [1,1,0,0,0,0|1,0,0]=3 104 B13R1.2679 NC(CO)CC1=CC=C(F)C=C1F P35385 [1,1,0,0,0,0|1,0,0]=3 105 B13R1.2879 NC(CO)CC1=CC=C(Cl)C(Cl)=C1 P38435 [1,1,0,0,0,0|1,0,0]=3 106 B13R1.2879 NC(CO)CC1=CC=C(F)C(F)=C1 P39675 [1,1,0,0,0,0|1,0,0]=3 107 B13R1.2879 N[C@H](CO)CC1=CC=C(Cl)C(Cl)=C1 P38811 [1,1,0,0,0,0|1,0,0]=3 108 B13R2.12 NC1=CC=C(C2CCCC2)C=C1 O31238 [1,0,0,1,0,0|2,0,0]=4 109 B13R2.147 NC1=CC=C(C2CC(F)C2)C=C1 P43350 [1,0,0,1,0,0|2,0,0]=4 110 B13R2.147 NC1=CC=C(N2CC(O)C2)C=C1 P38669 [1,0,0,1,0,0|2,0,0]=4 111 B13R2.2986 OC1(C2=CC=C(Br)C=C2)CCC1 N24769 [1,0,0,1,0,0|2,0,0]=4 112 B13R2.15 N[C@@H]1CCC[C@H]1C2=CC=CC=C2 L19894 [1,0,0,1,0,0|2,0,0]=4 113 B13R2.148 CC1=CC=C(CC2(N)CC2)C=C1 Q66085 [1,0,0,1,0,0|2,0,0]=4 114 B13R2.148 NC1(CC2=CC=C(Br)C=C2)CC1 Q66080 [1,0,0,1,0,0|2,0,0]=4 115 B13R2.148 NC1(CC2=CC=C(Cl)C=C2)CC1 Q66034 [1,0,0,1,0,0|2,0,0]=4 116 B13R2.148 NC1(CC2=CC=C(F)C=C2)CC1 H-8059 [1,0,0,1,0,0|2,0,0]=4 117 B13R2.148 NC1(CC2=CC=C(I)C=C2)CC1 Q66081 [1,0,0,1,0,0|2,0,0]=4 118 B13R2.1069 NC1=CC=C(OC2COC2)C=C1 I-9053 [1,0,0,1,0,0|2,0,0]=4 119 B13R2.3683 NC1CCC2=C(C=CC(Br)=C2)C1 O32609 [1,0,0,1,0,0|2,0,0]=4 120 B13R1.14 OCC(O)COC1=CC=C(Br)C=C1 O31232 [1,0,0,0,0,1|2,0,0]=4