0 B10R1.15 C=C[C@H](O)C1=CC=CC=C1 AB10386 [0,0,0,0,0,0|0,0,2]=2 1 B10R1.15 CCN(N)C1=CC=CC=C1 F14622 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.15 CC[C@H](C)C1=CC=CC=C1 N11903 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.15 CN[C@@H](C)C1=CC=NC=C1 AT18177 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.15 CN[C@@H](C)C1=NC=CC=C1 F52397 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.15 COC(=N)C1=NC=CC=C1 77277 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.15 C[C@@H](CBr)C1=CC=CC=C1 C80054 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25357 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.15 C[C@@H](CO)C1=CC=CC=C1 AT25361 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.15 C\C(=N/N)C1=CC=CC=C1 I11141 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.15 N#C[C@@H](N)C1=CC=CC=C1 N11950 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.15 O=C(CBr)C1=NC=CC=C1 S10662 [0,0,0,0,0,0|2,0,2]=4 12 B10R1.15 O=C(CCl)C1=NC=CC=C1 H11612 [0,0,0,0,0,0|2,0,2]=4 13 B9R1.6 CN(C)C1=CC=CC=C1 D95371 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.6 CN(C)C1=CC=CN=C1 N12098 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.6 CN(N)C1=CC=CC=C1 Y14873 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.6 CP(C)C1=CC=CC=C1 D90262 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.6 C[C@H](Cl)C1=CC=CC=C1 A10187 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.6 C[C@H](N)C1=NC=CC=C1 90515 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 O=[Se](O)C1=CC=CC=C1 D88899 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.8 CCOC1=CN=NC=C1 C16860 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.8 CNCC1=NC=CN=C1 P10399 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.8 CNCC1=NC=NC=C1 AT18327 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.8 CNCC1=NC=NC=C1 I11999 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.8 CSCC1=CC=CC=C1 D88728 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.8 CSCC1=CN=CC=C1 E72352 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.8 C\C=C/C1=CC=CC=C1 D91456 [1,0,0,0,0,0|0,0,2]=3 27 B9R1.8 C\C=C\C1=CC=CC=C1 H10852 [1,0,0,0,0,0|0,0,2]=3 28 B9R1.8 ClCCC1=NC=CC=C1 D83590 [1,0,0,0,0,0|2,0,0]=3 29 B11R1.12 CCC(CC)C1=CC=NC=C1 D92048 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.12 CCN(CC)C1=CC=CC=C1 D78343 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.12 CCN(CC)C1=CC=CC=C1 F14239 [0,1,0,0,0,0|2,0,0]=3 32 B11R1.12 CC[C@H](NC)C1=CC=CC=C1 T72926 [0,1,0,0,0,0|1,0,0]=2 33 B11R1.12 N#C[C@@H](C=O)C1=CC=CC=C1 82021 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.16 C#CCN(C)C1=CC=CC=C1 E72607 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y12255 [0,1,0,0,0,0|1,0,0]=2 36 B11R1.16 CCC[C@H](N)C1=CC=CN=C1 N12309 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.16 CCC[C@H](N)C1=NC=CC=C1 N12437 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.16 CNOC(=O)C1=CC=CC=C1 T70697 [0,1,0,0,0,0|1,0,2]=4 39 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12470 [0,1,0,0,0,0|1,0,0]=2 40 B11R1.16 COC[C@H](N)C1=CC=CC=C1 W18573 [0,1,0,0,0,0|1,0,0]=2 41 B11R1.22 C=C[C@H](O)C1=CC=C(F)C=C1 D87378 [0,1,0,0,0,0|0,0,2]=3 42 B11R1.22 CCN(N)C1=CC=C(C)C=C1 D90542 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.22 CC[C@H](O)C1=CC=C(C)C=C1 N12074 [0,1,0,0,0,0|0,0,0]=1 44 B11R1.22 CC[C@H](O)C1=CC=C(Cl)C=C1 N12135 [0,1,0,0,0,0|0,0,0]=1 45 B11R1.22 CC[C@H](O)C1=CC=C(F)C=C1 N11970 [0,1,0,0,0,0|0,0,0]=1 46 B11R1.22 CN[C@@H](C)C1=CC=C(C)C=C1 N12436 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.22 C[C@H](C#N)C1=CC=C(N)C=C1 C15494 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.22 N#C[C@@H](O)C1=CC=C(O)C=C1 D90902 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.22 NC[C@H](O)C1=CC=C(Br)C=C1 79799 [0,1,0,0,0,0|1,0,0]=2 50 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 AR2879 [0,1,0,0,0,0|1,0,0]=2 51 B11R1.22 OC[C@H](Cl)C1=CC=C(Cl)C=C1 58244 [0,1,0,0,0,0|2,0,0]=3 52 B11R1.22 O[C@@H](CCl)C1=CC=C(F)C=C1 D97158 [0,1,0,0,0,0|1,0,0]=2 53 B11R1.22 [CH2]C1=CC=C(C(=O)OC)C=C1 D77411 [0,1,0,0,0,0|1,0,2]=4 54 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 N12550 [0,1,0,0,0,0|1,0,0]=2 55 B11R1.23 CC[C@H](N)C1=NC(C)=CC=C1 N10812 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.23 CC[C@H](O)C1=CC=CC(F)=C1 N11963 [0,1,0,0,0,0|0,0,0]=1 57 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 N12588 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.23 COC(=N)C1=CC=CC(Br)=C1 AC6360 [0,1,0,0,0,0|2,0,1]=4 59 B11R1.23 COC(=O)C1=CC=CC(S)=C1 W12829 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.23 NCC(=O)C1=CC=CC(Cl)=C1 C78269 [0,1,0,0,0,0|1,0,2]=4 61 B11R1.23 NC[C@H](O)C1=CC=CC(O)=C1 D91696 [0,1,0,0,0,0|1,0,0]=2 62 B11R1.36 CC(C)C(=O)C1=CN=CC=C1 N12503 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16873 [0,1,0,0,0,0|1,0,0]=2 64 B11R1.36 CC(C)[C@H](N)C1=CC=NC=C1 F30606 [0,1,0,0,0,0|2,0,0]=3 65 B11R1.36 C[C@H](Br)C(=O)C1=CC=CC=C1 F14834 [0,1,0,0,0,0|0,0,2]=3 66 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 A11584 [0,1,0,0,0,0|2,0,1]=4 67 B11R1.36 O=C(O)[C@H](F)C1=CC=CC=C1 22843 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.36 O=C([O-])[C@H](O)C1=CC=CC=C1 D91272 [0,1,0,0,0,0|1,0,1]=3 69 B11R1.222 CCC(=O)C1=C(N)C=CC=C1 F13138 [0,1,0,0,0,0|0,0,2]=3 70 B11R1.222 CCN(N)C1=C(C)C=CC=C1 D90541 [0,1,0,0,0,0|2,0,0]=3 71 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 N10822 [0,1,0,0,0,0|1,0,0]=2 72 B11R1.222 CC[C@H](N)C1=NC=CC=C1C F17004 [0,1,0,0,0,0|2,0,0]=3 73 B11R1.222 CC[C@H](O)C1=C(F)C=CC=C1 N11977 [0,1,0,0,0,0|0,0,0]=1 74 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 N12587 [0,1,0,0,0,0|2,0,0]=3 75 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12344 [0,1,0,0,0,0|2,0,0]=3 76 B11R1.222 CO[C@@H](C)C1=CC=CN=C1Cl E72494 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.222 NCC(=O)C1=C(Cl)C=CC=C1 C77949 [0,1,0,0,0,0|1,0,2]=4 78 B11R1.222 NCC(=O)C1=C(O)C=CC=C1 C78267 [0,1,0,0,0,0|1,0,2]=4 79 B11R2.1 NN1CCC2=C1C=CC=C2 AC7277 [0,0,0,1,0,0|2,0,0]=3 80 B11R2.1 N[C@H]1CCC2=CC=CN=C21 87181 [0,0,0,1,0,0|2,0,0]=3 81 B11R2.1 N[C@H]1COC2=C1C=CC=C2 N10935 [0,0,0,1,0,0|2,0,0]=3 82 B11R2.40 C[C@@]1(C2=CC=CC=C2)CO1 F52588 [0,0,0,1,0,0|2,0,0]=3 83 B11R2.988 N#C[C@H]1CC2=C1C=CC=C2 67732 [0,0,0,1,0,0|2,0,1]=4 84 B9R1.11 CCC(=O)C1=CC=CO1 N11989 [0,0,0,0,1,0|1,0,2]=4 85 B9R1.11 CC[C@H](N)C1=CC=CS1 N12365 [0,0,0,0,1,0|2,0,0]=3 86 B11R1.40 CCN(C)CC1=CC=CC=C1 AB10334 [0,0,0,0,0,1|2,0,0]=3 87 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 77458 [0,0,0,0,0,1|2,0,0]=3 88 B11R1.40 C[C@@H](CO)OC1=CC=CC=C1 98060 [0,0,0,0,0,1|2,0,0]=3 89 B11R1.40 NC[C@@H](O)CC1=CC=CC=C1 AR2912 [0,0,0,0,0,1|1,0,0]=2 90 B8R1.2 BrCC1=NC=CC=C1 D87709 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.2 C#CC1=CC=CC=C1 D90456 [2,0,0,0,0,0|0,0,2]=4 92 B8R1.2 CCC1=CC=CN=C1 D87724 [2,0,0,0,0,0|1,0,0]=3 93 B8R1.2 CCC1=CC=NC=C1 D90449 [2,0,0,0,0,0|1,0,0]=3 94 B8R1.2 CCC1=NC=CC=C1 AT23190 [2,0,0,0,0,0|1,0,0]=3 95 B8R1.2 ClCC1=CC=NC=C1 D88171 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.2 ICC1=CN=CC=C1 AC6646 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.2 NCC1=CC=CC=C1 T70936 [2,0,0,0,0,0|1,0,0]=3 98 B8R1.2 NNC1=CC=CC=C1 D91920 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.2 OCC1=NC=CC=N1 W13843 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.13 C=C(C)C1=CC=C(Br)C=C1 AC1305 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.13 CC1=CC=C([C@H](C)N)C=C1 N12036 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.13 CC1=CC=C([C@H](C)O)C=C1 D97156 [1,1,0,0,0,0|0,0,0]=2 103 B10R1.13 CC1=CC=C([S@](=O)O)C=C1 F21290 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.13 CN(C)C1=CC=C(N)C=C1 D89717 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.13 C[C@H](Cl)C1=CC=C(Br)C=C1 W15990 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 61144 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.13 C[C@H](N)C1=CC=C(F)C=C1 N11998 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.13 C[C@H](N)C1=CC=C(O)C=C1 Y10878 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.13 C[S+](C)C1=CC=C(O)C=C1 D90991 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 D82516 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.13 OB(O)C1=CC=C(S)C=C1 64291 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.28 CC(C)(Cl)C1=CC=CC=C1 A10188 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.28 O[B-](O)(O)C1=CC=CC=C1 D92266 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.61 C=C(C)C1=C(C)C=CC=C1 D91121 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.61 CC1=C(N(C)C)C=CC=C1 D89722 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.61 CC1=CC=CN=C1[C@H](C)N F16866 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.113 C=C(C)C1=CC=CC(I)=C1 D86695 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.113 CC(C)C1=CC=CC(O)=C1 D87686 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.113 CC1=CC=CC(N(C)N)=C1 T72879 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.113 CN(C)C1=CC(N)=CC=C1 D84323 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.113 C[S@](=O)C1=CC=CC(Br)=C1 C91518 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.113 FC1=CC(C(F)F)=CC=C1 34821 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.113 FC1=CC=CC(C(Br)Br)=C1 D90657 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.1 C=CCC1=CC=C(C)C=C1 D76863 [1,1,0,0,0,0|0,0,2]=4 125 B10R1.1 CC1=CC=C(SCCl)C=C1 T70798 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.1 CCCC1=CC=C(C)C=C1 D92007 [1,1,0,0,0,0|0,0,0]=2 127 B10R1.1 CCNC1=CC=C(C)C=C1 D90452 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.1 CCNC1=NC=C(Br)C=C1 97201 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.1 CCOC1=CC=C(Cl)C=C1 D89219 [1,1,0,0,0,0|1,0,0]=3 130 B10R1.1 CCOC1=CC=C(S)C=C1 AT20902 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.1 CCOC1=NC=C(F)C=C1 D74953 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.1 CCOC1=NC=C(N)C=C1 O11589 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.1 CNCC1=CC=C(F)C=C1 26027 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.1 FC1=CC=C(CCCl)C=C1 D90675 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.1 NCCC1=CC=C(F)C=C1 D90699 [1,1,0,0,0,0|1,0,0]=3 136 B10R1.1 NCCC1=CC=C(F)C=C1 D90702 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.1 NNCC1=CC=C(Br)C=C1 P10525 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.1 NNCC1=CC=C(Cl)C=C1 D86183 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.1 NNCC1=CC=C(F)C=C1 P10415 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.4 C=CCC1=C(C)C=CC=C1 D97323 [1,1,0,0,0,0|0,0,2]=4 141 B10R1.4 C=CCC1=C(N)C=CC=C1 D88543 [1,1,0,0,0,0|0,0,2]=4 142 B10R1.4 CCCC1=C(O)C=CC=C1 D86075 [1,1,0,0,0,0|0,0,0]=2 143 B10R1.4 CCCC1=NC=CN=C1C D91392 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.4 CCOC1=C(Cl)C=CC=C1 D89218 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.4 CCOC1=C(N)C=CC=C1 D91895 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.4 COCC1=C(Br)C=CC=C1 CK2442 [1,1,0,0,0,0|1,0,0]=3 147 B10R1.4 NCCC1=C(N)C=CC=C1 51438 [1,1,0,0,0,0|1,0,0]=3 148 B10R1.4 NCCN1C=CC=CC1=O AT13457 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.4 NOCC1=C(Cl)C=CC=C1 D87707 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.4 OC1=C(CCBr)C=CC=C1 C78317 [1,1,0,0,0,0|1,0,0]=3 151 B10R1.10 CCCC1=CC(C)=CC=C1 D92006 [1,1,0,0,0,0|0,0,0]=2 152 B10R1.10 CCOC1=CC(O)=CC=C1 CK1178 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.10 CCSC1=CC=CC(Br)=C1 AT20878 [1,1,0,0,0,0|1,0,0]=3 154 B10R1.10 CNCC1=CC=CC(Cl)=C1 L10045 [1,1,0,0,0,0|1,0,0]=3 155 B10R1.10 NNCC1=CC=CC(Br)=C1 P10524 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.10 NNCC1=CC=CC(Cl)=C1 74963 [1,1,0,0,0,0|2,0,0]=4 157 B10R1.10 NNCC1=CC=CC(F)=C1 75838 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.17 C=CCCC1=CC=CC=C1 D91916 [1,1,0,0,0,0|0,0,1]=3 159 B10R1.17 CCC#CC1=CC=CC=C1 D91952 [1,1,0,0,0,0|0,0,1]=3 160 B10R1.17 COCCC1=NC=CC=C1 D91306 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.17 NCC#CC1=CC=CC=C1 AB10165 [1,1,0,0,0,0|0,0,2]=4 162 B10R1.17 NCCNC1=NC=CC=C1 C78639 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.17 NCCOC1=CN=CC=C1 E71907 [1,1,0,0,0,0|2,0,0]=4 164 B10R1.17 OCCNC1=CC=NC=C1 AT18123 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.18 C[C@H](Br)CC1=CC=CC=C1 75436 [1,1,0,0,0,0|0,0,0]=2 166 B10R1.18 C[C@H](N)CC1=CC=CN=C1 S12145 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.18 O=[N+]([O-])CC1=CC=CC=C1 AT26580 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.11 C=CC[C@H](O)C1=CC=CO1 AT23581 [0,1,0,0,1,0|1,0,1]=4 169 B10R1.23 CC(C)[C@H](N)C1=CC=CS1 N12452 [0,1,0,0,1,0|2,0,0]=4 170 B12R1.32 CN(CCCl)CC1=CC=CC=C1 30794 [0,1,0,0,0,1|2,0,0]=4 171 B12R1.32 CNCC(=O)NC1=CC=CC=C1 L10077 [0,1,0,0,0,1|0,0,2]=4 172 B12R1.32 COC[C@@H](N)CC1=CC=CC=C1 AB10382 [0,1,0,0,0,1|1,0,0]=3 173 B12R1.32 CSCC(=O)NC1=CC=CC=C1 L10078 [0,1,0,0,0,1|0,0,2]=4 174 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 AC6013 [0,1,0,0,0,1|2,0,0]=4 175 B12R1.43 CC(C)C(=O)CC1=CC=CC=C1 D88734 [0,1,0,0,0,1|0,0,2]=4 176 B12R1.195 CCC(C)(C)C1=C(O)C=CC=C1 D88477 [0,2,0,0,0,0|1,0,0]=3 177 B12R1.253 C[C@](O)(C(=O)O)C1=CC=CC=C1 D78561 [0,2,0,0,0,0|1,0,1]=4 178 B12R1.253 C[C@](O)(C(=O)O)C1=CC=CC=C1 D78562 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.475 CCC(O)(CC)C1=CC=CC=C1 F12208 [0,2,0,0,0,0|0,0,0]=2 180 B12R1.475 COC(C)(OC)C1=CC=CC=C1 D87768 [0,2,0,0,0,0|1,0,0]=3 181 B12R1.12 CCN(CC)C1=CC=C(C)C=C1 D89674 [0,2,0,0,0,0|2,0,0]=4 182 B12R1.243 CCN(CC)C1=C(Cl)C=CC=C1 T70498 [0,2,0,0,0,0|2,0,0]=4 183 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86267 [0,2,0,0,0,0|1,0,0]=3 184 B12R1.16 CCOC(=N)C1=CC=C(F)C=C1 91787 [0,2,0,0,0,0|1,0,1]=4 185 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 70046 [0,2,0,0,0,0|0,0,0]=2 186 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 C74644 [0,2,0,0,0,0|0,0,2]=4 187 B12R1.16 N[C@@H](CCO)C1=CC=C(Br)C=C1 55911 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.17 CCOC(=O)C1=CC(N)=CC=C1 D85905 [0,2,0,0,0,0|0,0,2]=4 189 B12R1.17 CNCC(=O)C1=CC(O)=CC=C1 D87530 [0,2,0,0,0,0|0,0,2]=4 190 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 D91959 [0,2,0,0,0,0|0,0,0]=2 191 B12R1.17 NC1=CC=CC([C@@H](N)CCO)=C1 51809 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.17 N[C@@H](CCO)C1=CC=CC(Cl)=C1 Y11743 [0,2,0,0,0,0|1,0,0]=3 193 B12R1.30 CCCC[C@H](N)C1=CC=CN=C1 N11978 [0,2,0,0,0,0|2,0,0]=4 194 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 D89432 [0,2,0,0,0,0|0,0,0]=2 195 B12R1.30 CCCC[C@H](O)C1=CC=CC=C1 D92069 [0,2,0,0,0,0|0,0,0]=2 196 B12R1.30 O=C(NCCO)C1=CC=CC=C1 V10315 [0,2,0,0,0,0|0,0,2]=4 197 B12R1.107 CC(C)C[C@H](N)C1=CC=CN=C1 F30605 [0,2,0,0,0,0|2,0,0]=4 198 B12R1.107 CC(C)NC(=O)C1=CC=CC=C1 L10184 [0,2,0,0,0,0|0,0,2]=4 199 B12R1.107 CC(C)N[C@@H](C)C1=CC=CC=C1 L10160 [0,2,0,0,0,0|1,0,0]=3 200 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 D77816 [0,2,0,0,0,0|1,0,1]=4 201 B12R1.308 N[C@@H](CCO)C1=C(F)C=CC=C1 N12478 [0,2,0,0,0,0|1,0,0]=3 202 B12R1.5 CC[C@H](O)C1=CC=C(OC)C=C1 N12428 [0,2,0,0,0,0|0,0,0]=2 203 B12R1.5 CN[C@@H](C)C1=CC=C(OC)C=C1 N12139 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(F)C=C1 96354 [0,2,0,0,0,0|0,0,2]=4 205 B12R1.20 C[C@H](N)[C@H](O)C1=CC=C(Cl)C=C1 AC8012 [0,2,0,0,0,0|0,0,0]=2 206 B12R1.367 CC[C@H](N)C1=CC(C)=C(C)C=C1 N10936 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 A12631 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.367 O[C@@H](CCl)C1=CC(Cl)=C(Cl)C=C1 D97157 [0,2,0,0,0,0|1,0,0]=3 209 B12R1.1703 CC[C@H](N)C1=C(C)C=C(C)C=C1 N10937 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.1703 O[C@@H](CCl)C1=C(F)C=C(F)C=C1 D97161 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.354 CCC(=O)C1=C(C)C=CC(C)=C1 N12086 [0,2,0,0,0,0|0,0,2]=4 212 B12R1.354 CCC(=O)C1=C(O)C=CC(C)=C1 D91039 [0,2,0,0,0,0|0,0,2]=4 213 B12R1.354 CC[C@H](N)C1=C(Br)C=CC(Cl)=C1 C91967 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.435 C=C[C@H](O)C1=CC=CC(OC)=C1 D84378 [0,2,0,0,0,0|0,0,2]=4 215 B12R1.435 CN[C@@H](C)C1=CC=CC(OC)=C1 N11999 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.77 CN[C@@H](C)C1=C(OC)C=CC=C1 N12003 [0,2,0,0,0,0|2,0,0]=4 217 B12R1.77 CN[C@@H](C)C1=C(OC)C=CC=C1 N12138 [0,2,0,0,0,0|2,0,0]=4 218 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 Y11111 [0,2,0,0,0,0|2,0,0]=4 219 B10R2.7 C1=CC2=C(C=N1)CNC2 C15858 [1,0,0,1,0,0|2,0,0]=4 220 B12R2.18 NC1C2=C(C=CC=C2)CC1O 32663 [0,0,0,1,0,1|1,0,0]=3 221 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O D86558 [0,0,0,1,0,1|1,0,0]=3 222 B12R2.18 OC1CC2=C(C=CC=C2)C1O D90171 [0,0,0,1,0,1|1,0,0]=3 223 B12R2.32 CCC1=CC2=C(C=CC=C2)O1 D97187 [0,0,0,1,0,1|0,0,1]=3 224 B12R2.32 OC[C@H]1CC2=C(C=CC=C2)N1 AC5785 [0,0,0,1,0,1|2,0,0]=4 225 B12R2.1 CC[N+]1=CSC2=C1C=CC=C2 D90501 [0,1,0,1,0,0|1,1,0]=4 226 B12R2.2 C1=CN=C(C2OCCO2)C=C1 D87449 [0,1,0,1,0,0|1,0,0]=3 227 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 AR1064 [0,1,0,1,0,0|2,0,0]=4 228 B12R2.2075 N[C@H](C1=CC=CC=C1)C2CC2 F14028 [0,1,0,1,0,0|1,0,0]=3 229 B12R2.2075 N[C@H](C1=NC=CC=C1)C2CC2 32628 [0,1,0,1,0,0|2,0,0]=4 230 B12R2.290 CC1=CC=C(C2(N)CC2)C=C1 N12313 [0,1,0,1,0,0|1,0,0]=3 231 B12R2.132 N[C@H]1CCC2=C1C=C(O)C=C2 N10909 [0,1,0,1,0,0|1,0,0]=3 232 B12R2.132 N[C@H]1COC2=C1C=C(F)C=C2 59809 [0,1,0,1,0,0|2,0,0]=4 233 B12R2.196 O=C1CCC2=C(I)C=CC=C12 I11158 [0,1,0,1,0,0|0,0,2]=4 234 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 E10025 [0,1,0,1,0,0|1,0,0]=3 235 B12R2.88 NC1(C2=C(F)C=CC=C2)CC1 E10026 [0,1,0,1,0,0|1,0,0]=3 236 B8R1.7 C[C@H](O)C1=CC=CO1 F17602 [1,0,0,0,1,0|1,0,0]=3 237 B8R1.8 CCCC1=CC=CO1 D92136 [1,0,0,0,1,0|1,0,0]=3 238 B8R1.8 CCNC1=CC=CS1 23456 [1,0,0,0,1,0|2,0,0]=4 239 B8R1.8 NCCC1=CC=CS1 F14846 [1,0,0,0,1,0|2,0,0]=4 240 B8R1.8 OCCN1C=CC=C1 T72813 [1,0,0,0,1,0|2,0,0]=4 241 B12R1.27 C[C@@H](CO)NCC1=CC=CC=C1 D77610 [0,0,0,0,0,2|2,0,0]=4 242 B12R1.27 NC[C@H](O)COC1=CC=CC=C1 76907 [0,0,0,0,0,2|1,0,0]=3