0 B11R1.12 CN[C@@H](CO)C1=CC=CC=C1 Y10222 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.12 NC[C@@H](CO)C1=CC=CC=C1 70910 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 31291 [1,0,0,0,0,0|1,0,1]=3 3 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 32646 [1,0,0,0,0,0|1,0,1]=3 4 B10R1.15 C=C(CC)C1=CC=CC=C1 C73845 [1,0,0,0,0,0|1,0,2]=4 5 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11941 [1,0,0,0,0,0|2,0,1]=4 6 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y11942 [1,0,0,0,0,0|2,0,1]=4 7 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y12425 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.15 CCN(C)C1=CC=CC=C1 S10715 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.15 CC[C@H](Br)C1=CC=CC=C1 A11640 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.15 CC[C@H](N)C1=CC=CN=C1 31586 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.15 CC[C@H](N)C1=CC=CN=C1 74009 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.15 CC[C@H](N)C1=CC=NC=C1 31287 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74015 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.15 CC[C@H](N)C1=CC=NC=C1 74017 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.15 CC[C@H](N)C1=CC=NC=C1 D81379 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.15 CC[C@H](N)C1=NC=CC=C1 F16910 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.15 CC[C@H](N)C1=NC=CC=C1 I11245 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.15 CC[C@H](N)C1=NC=CC=C1 N10610 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11176 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y11466 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.15 CC[C@H](N)C1=NC=CC=C1 Y12115 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T71858 [1,0,0,0,0,0|1,0,0]=2 23 B10R1.15 CC[C@H](O)C1=CC=CC=C1 T72707 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 32835 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.15 NC[C@H](N)C1=CC=CC=C1 N12631 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.15 NC[C@H](O)C1=NC=CC=C1 C77057 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.15 O=C[C@H](Br)C1=CC=CC=C1 F13390 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.15 O[C@@H](CF)C1=CC=CC=C1 C91661 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.475 C#C[C@](O)(CC)C1=CC=CC=C1 65662 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.478 CC(C)[C@H](CN)C1=CC=CC=C1 A11872 [0,1,0,0,0,0|3,0,0]=4 31 B12R1.478 CC[C@@H](C(=O)O)C1=CC=CC=C1 35104 [0,1,0,0,0,0|3,0,0]=4 32 B12R1.478 CN[C@@H](C(=O)O)C1=CC=CC=C1 86305 [0,1,0,0,0,0|3,0,0]=4 33 B12R2.1 CO[C@H]1OCC2=C1C=CC=C2 T71210 [0,0,0,1,0,0|0,0,0]=1 34 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 C75026 [0,0,0,1,0,0|2,0,1]=4 35 B12R2.2 C1=CC(C2OCCO2)=CN=C1 20730 [0,0,0,1,0,0|1,0,0]=2 36 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59896 [0,0,0,1,0,0|2,0,0]=3 37 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 59947 [0,0,0,1,0,0|2,0,0]=3 38 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 N11212 [0,0,0,1,0,0|2,0,0]=3 39 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 69529 [0,0,0,1,0,0|3,0,0]=4 40 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P12556 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P15250 [0,0,0,1,0,0|3,0,0]=4 42 B12R2.2 C1=CN=C(C2=NCCO2)C=C1 D75595 [0,0,0,1,0,0|2,0,1]=4 43 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 65001 [0,0,0,1,0,0|3,0,0]=4 44 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 CS3570 [0,0,0,1,0,0|3,0,0]=4 45 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11039 [0,0,0,1,0,0|3,0,0]=4 46 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11608 [0,0,0,1,0,0|3,0,0]=4 47 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3561 [0,0,0,1,0,0|3,0,0]=4 48 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 CS3564 [0,0,0,1,0,0|3,0,0]=4 49 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10700 [0,0,0,1,0,0|3,0,0]=4 50 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10808 [0,0,0,1,0,0|3,0,0]=4 51 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y11611 [0,0,0,1,0,0|3,0,0]=4 52 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [0,0,0,1,0,0|3,0,0]=4 54 B12R2.48 C#CC1(C2=CC=CC=C2)CC1 C14707 [0,0,0,1,0,0|2,0,1]=4 55 B12R2.48 NCC1(C2=CC=CC=C2)CC1 31434 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.48 OCC1(C2=CC=CC=C2)CC1 71001 [0,0,0,1,0,0|3,0,0]=4 57 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 N12599 [0,0,0,0,0,1|3,0,0]=4 58 B9R1.6 C[C@H](Cl)C1=NC=CC=C1 F13294 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.6 C[C@H](N)C1=CC=CC=C1 D77753 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.6 C[C@H](N)C1=CC=CN=C1 20316 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.6 C[C@H](N)C1=CC=CN=C1 74003 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.6 C[C@H](N)C1=CC=CN=C1 74005 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31031 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.6 C[C@H](N)C1=CC=CN=C1 F31032 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.6 C[C@H](N)C1=CC=NC=C1 F31033 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.6 C[C@H](N)C1=CC=NC=C1 N10538 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.6 C[C@H](O)C1=NC=CC=C1 A11519 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.6 C[C@H](O)C1=NC=CC=C1 C16040 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.6 C[C@H](O)C1=NC=CC=N1 72303 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.6 C[C@H](O)C1=NC=CC=N1 P19373 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.6 C[C@H](O)C1=NC=CC=N1 P20178 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.6 C[C@H](O)C1=NC=CN=C1 D82306 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.8 CNCC1=CC=NC=C1 AR1712 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.8 NOCC1=CN=CC=C1 AC6038 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 C11398 [2,0,0,0,0,0|1,0,1]=4 76 B11R1.7 C[C@](N)(CO)C1=CC=CC=C1 66215 [1,1,0,0,0,0|2,0,0]=4 77 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [1,1,0,0,0,0|2,0,0]=4 78 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.16 COC[C@H](N)C1=CC=CC=C1 N12553 [1,1,0,0,0,0|1,0,0]=3 81 B11R1.16 CONC(=O)C1=CC=CC=C1 W17974 [1,1,0,0,0,0|0,0,2]=4 82 B11R1.16 C[C@@H](CCN)C1=CC=CC=C1 AC6042 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.16 C[C@H](N=C=O)C1=CC=CC=C1 D87824 [1,1,0,0,0,0|1,0,1]=4 84 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 AB1470 [1,1,0,0,0,0|1,0,1]=4 85 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 65208 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 AC6619 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 C74027 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.22 C#C[C@@H](O)C1=CC=C(F)C=C1 W16136 [1,1,0,0,0,0|1,0,1]=4 89 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 F16933 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10949 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N10950 [1,1,0,0,0,0|2,0,0]=4 92 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 N12584 [1,1,0,0,0,0|2,0,0]=4 93 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 Y10817 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10160 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.22 CC[C@H](N)C1=CC=C(C)C=C1 Y10161 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 D81275 [1,1,0,0,0,0|2,0,0]=4 97 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 S11131 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 Y11768 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10163 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10164 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y10653 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11063 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 Y11174 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14552 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.22 CC[C@H](N)C1=CC=C(I)C=C1 Y14553 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.22 CC[C@H](N)C1=CC=C(O)C=C1 N12238 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.22 CC[C@H](O)C1=CC=C(Br)C=C1 AB6446 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 N10761 [1,1,0,0,0,0|1,0,0]=3 109 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 Y10719 [1,1,0,0,0,0|1,0,0]=3 110 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16874 [1,1,0,0,0,0|1,0,0]=3 111 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 F16927 [1,1,0,0,0,0|1,0,0]=3 112 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10862 [1,1,0,0,0,0|1,0,0]=3 113 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 Y10897 [1,1,0,0,0,0|1,0,0]=3 114 B11R1.22 CN[C@@H](C)C1=CC=C(F)C=C1 N13109 [1,1,0,0,0,0|1,0,0]=3 115 B11R1.22 COC(=O)C1=CC=C(S)C=C1 W12575 [1,1,0,0,0,0|0,0,2]=4 116 B11R1.22 C[C@@H](CN)C1=CC=C(Br)C=C1 84993 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.22 N#C[C@@H](O)C1=CC=C(Br)C=C1 W15228 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.22 NC[C@H](O)C1=CC=C(Cl)C=C1 C78214 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 11739 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.23 C#C[C@@H](O)C1=CC=CC(F)=C1 79796 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11059 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N11060 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N13204 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 N14300 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y12439 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.23 CC[C@H](N)C1=CC(C)=CC=C1 Y13349 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10470 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N10952 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 N11195 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y10721 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 Y11058 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.23 CC[C@H](N)C1=CC=CC(Cl)=C1 Y10291 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 20089 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10472 [1,1,0,0,0,0|2,0,0]=4 135 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 N10473 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y10473 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 Y11089 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.23 CC[C@H](N)C1=CC=CC(O)=C1 Y14524 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y11601 [1,1,0,0,0,0|1,0,0]=3 140 B11R1.23 CN[C@@H](C)C1=CC(C)=CC=C1 Y12434 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 Y10927 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y12192 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13371 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13372 [1,1,0,0,0,0|1,0,0]=3 145 B11R1.23 CN[C@@H](C)C1=CC=CC(Cl)=C1 Y13373 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14837 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.23 CN[C@@H](C)C1=CC=CC(F)=C1 Y14849 [1,1,0,0,0,0|1,0,0]=3 148 B11R1.23 NC[C@H](O)C1=CC=CC(Cl)=C1 Y10361 [1,1,0,0,0,0|2,0,0]=4 149 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 58256 [1,1,0,0,0,0|2,0,0]=4 150 B11R1.36 CC(=O)[C@H](N)C1=CC=CC=C1 N13201 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.36 CC(=O)[C@H](O)C1=CC=CC=C1 AC1336 [1,1,0,0,0,0|1,0,0]=3 152 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 74050 [1,1,0,0,0,0|2,0,0]=4 153 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 F16904 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 Y11074 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.36 C[C@@H](C(=N)N)C1=CC=CC=C1 71885 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.36 C[C@@H](C1=CC=CC=C1)N(C)C A12149 [1,1,0,0,0,0|1,0,0]=3 157 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 N16817 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.222 CC1=C([C@@H](O)CN)C=CC=C1 AR2909 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 20083 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 F16885 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10518 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 N10519 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.222 CC[C@H](N)C1=C(C)C=CC=C1 Y10722 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10294 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10295 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y10316 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11207 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 Y11964 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 S10041 [1,1,0,0,0,0|2,0,0]=4 170 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 Y10807 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14154 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 Y14523 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N13149 [1,1,0,0,0,0|1,0,0]=3 174 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11428 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y11555 [1,1,0,0,0,0|1,0,0]=3 176 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y12189 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y13379 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.222 CN[C@@H](C)C1=C(Cl)C=CC=C1 Y14597 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 H11712 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.222 CN[C@@H](C)C1=C(F)C=CC=C1 N12637 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.222 NC[C@H](O)C1=C(Cl)C=CC=C1 AC1512 [1,1,0,0,0,0|2,0,0]=4 182 B13R1.405 CN(C)[C@@H](CCO)C1=CC=CC=C1 FD1319 [0,2,0,0,0,0|2,0,0]=4 183 B13R1.532 COC(=O)[C@H](C#N)C1=CC=CC=C1 W18601 [0,2,0,0,0,0|2,0,0]=4 184 B13R1.532 COC(=O)[C@H](CBr)C1=CC=CC=C1 W17258 [0,2,0,0,0,0|2,0,0]=4 185 B13R1.713 CN[C@@H](CN(C)C)C1=CC=CC=C1 AR3530 [0,2,0,0,0,0|2,0,0]=4 186 B13R1.39 COC(OC)C1=CC=C(C#N)C=C1 D84542 [0,2,0,0,0,0|0,0,0]=2 187 B13R1.961 COC(OC)C1=C(F)C=C(Br)C=C1 F17524 [0,2,0,0,0,0|0,0,0]=2 188 B13R1.317 COC(OC)C1=C(Br)C=NC(N)=N1 25542 [0,2,0,0,0,0|2,0,0]=4 189 B13R1.321 COC(OC)C1=NC(C)=NC(O)=C1 D80162 [0,2,0,0,0,0|2,0,0]=4 190 B13R1.646 CNC1=NC=CC(C(OC)OC)=N1 H11486 [0,2,0,0,0,0|2,0,0]=4 191 B13R1.646 COC1=NC(C(OC)OC)=CC=N1 36616 [0,2,0,0,0,0|2,0,0]=4 192 B11R2.1 CC1=CCC2=C1C=CC=C2 C76459 [1,0,0,1,0,0|1,0,1]=4 193 B11R2.1 CN1CCC2=C1C=CC=C2 D83554 [1,0,0,1,0,0|2,0,0]=4 194 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [1,0,0,1,0,0|1,0,0]=3 195 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 I11746 [1,0,0,1,0,0|2,0,0]=4 196 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D70931 [1,0,0,1,0,0|1,0,0]=3 197 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [1,0,0,1,0,0|2,0,0]=4 198 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [1,0,0,1,0,0|2,0,0]=4 199 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [1,0,0,1,0,0|2,0,0]=4 200 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [1,0,0,1,0,0|2,0,0]=4 201 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [1,0,0,1,0,0|2,0,0]=4 202 B11R2.4 NC1CC1C2=CC=CC=C2 P17182 [1,0,0,1,0,0|2,0,0]=4 203 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15693 [1,0,0,1,0,0|2,0,0]=4 204 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 C15694 [1,0,0,1,0,0|2,0,0]=4 205 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 D94291 [1,0,0,1,0,0|2,0,0]=4 206 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P16183 [1,0,0,1,0,0|2,0,0]=4 207 B11R2.4 OC1CC1C2=CC=CC=C2 F50832 [1,0,0,1,0,0|2,0,0]=4 208 B11R2.239 C1=CC=C(C2CNC2)C=C1 84171 [1,0,0,1,0,0|2,0,0]=4 209 B11R2.239 C1=CC=C(C2COC2)C=C1 F51875 [1,0,0,1,0,0|2,0,0]=4 210 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [1,0,0,1,0,0|1,0,0]=3 211 B13R2.64 C1=CC=C(C[C@H]2CCCN2)C=C1 83644 [0,0,0,1,0,1|2,0,0]=4 212 B13R2.3 C1=CC([C@@H]2CNCCO2)=CC=N1 C71091 [0,1,0,1,0,0|2,0,0]=4 213 B13R2.3 C1=CC([C@@H]2CNCCO2)=CN=C1 AR1103 [0,1,0,1,0,0|2,0,0]=4 214 B13R2.3 C1=CC=C(B2OCCCO2)C=C1 D71701 [0,1,0,1,0,0|1,0,0]=3 215 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59907 [0,1,0,1,0,0|2,0,0]=4 216 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59908 [0,1,0,1,0,0|2,0,0]=4 217 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 59949 [0,1,0,1,0,0|2,0,0]=4 218 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 N14324 [0,1,0,1,0,0|2,0,0]=4 219 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13065 [0,1,0,1,0,0|1,0,0]=3 220 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 F13093 [0,1,0,1,0,0|1,0,0]=3 221 B13R2.3 C1=CC=C([C@@H]2CNCCS2)C=C1 AR1250 [0,1,0,1,0,0|1,1,0]=4 222 B13R2.3 C1=CC=C([C@@H]2CSCCN2)C=C1 27200 [0,1,0,1,0,0|1,1,0]=4 223 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59523 [0,1,0,1,0,0|2,0,0]=4 224 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 59524 [0,1,0,1,0,0|2,0,0]=4 225 B13R2.3 C1=CN=C([C@@H]2CNCCO2)C=C1 C71090 [0,1,0,1,0,0|2,0,0]=4 226 B13R2.3 C1=CN=C([C@@H]2COCCN2)C=C1 Y10217 [0,1,0,1,0,0|2,0,0]=4 227 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 P15237 [0,1,0,1,0,0|2,0,0]=4 228 B13R2.15 NC1CCCC1C2=CC=CC=C2 C76071 [0,1,0,1,0,0|2,0,0]=4 229 B13R2.15 OC1CCCC1C2=CC=CC=C2 78687 [0,1,0,1,0,0|2,0,0]=4 230 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 C74345 [0,1,0,1,0,0|2,0,0]=4 231 B13R2.2539 NCC1(C2=CC=CC=C2)COC1 32918 [0,1,0,1,0,0|2,0,0]=4 232 B13R2.2539 OCC1(C2=CC=CC=C2)COC1 32881 [0,1,0,1,0,0|2,0,0]=4 233 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 59894 [0,1,0,1,0,0|2,0,0]=4 234 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 59895 [0,1,0,1,0,0|2,0,0]=4 235 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 Y10526 [0,1,0,1,0,0|2,0,0]=4 236 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 Y10902 [0,1,0,1,0,0|2,0,0]=4 237 B13R2.12 BrC1=CC=C([C@@H]2CCCO2)C=C1 88342 [0,1,0,1,0,0|1,0,0]=3 238 B13R2.12 BrC1=CN=C(C2OCCO2)C=C1 D84530 [0,1,0,1,0,0|1,0,0]=3 239 B13R2.12 CC1=CC=C(C2CCCC2)C=C1 C76649 [0,1,0,1,0,0|2,0,0]=4 240 B13R2.12 CC1=CC=C([C@@H]2CCCN2)C=C1 59899 [0,1,0,1,0,0|2,0,0]=4 241 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 59903 [0,1,0,1,0,0|2,0,0]=4 242 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 59904 [0,1,0,1,0,0|2,0,0]=4 243 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 Y10663 [0,1,0,1,0,0|2,0,0]=4 244 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 Y10903 [0,1,0,1,0,0|2,0,0]=4 245 B13R2.12 ClC1=CC=C([C@H]2NCCS2)C=C1 C16365 [0,1,0,1,0,0|1,1,0]=4 246 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 59900 [0,1,0,1,0,0|2,0,0]=4 247 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 59901 [0,1,0,1,0,0|2,0,0]=4 248 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 59951 [0,1,0,1,0,0|2,0,0]=4 249 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 Y10208 [0,1,0,1,0,0|2,0,0]=4 250 B13R2.12 NC1=CC=C(C2CCCC2)C=C1 24304 [0,1,0,1,0,0|2,0,0]=4 251 B13R2.12 OC1=CC=C(C2=NCCO2)C=C1 P16453 [0,1,0,1,0,0|1,0,1]=4 252 B13R2.12 OC1=CC=C([C@@H]2CCCN2)C=C1 C90180 [0,1,0,1,0,0|2,0,0]=4 253 B13R2.12 OC1=CC=C([C@@H]2CCCN2)C=C1 Y10736 [0,1,0,1,0,0|2,0,0]=4 254 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11170 [0,1,0,1,0,0|2,0,0]=4 255 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11171 [0,1,0,1,0,0|2,0,0]=4 256 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 I11305 [0,1,0,1,0,0|2,0,0]=4 257 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 N10478 [0,1,0,1,0,0|2,0,0]=4 258 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 N10480 [0,1,0,1,0,0|2,0,0]=4 259 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N10479 [0,1,0,1,0,0|2,0,0]=4 260 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N12897 [0,1,0,1,0,0|2,0,0]=4 261 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 Y10468 [0,1,0,1,0,0|2,0,0]=4 262 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 23431 [0,1,0,1,0,0|2,0,0]=4 263 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 31645 [0,1,0,1,0,0|2,0,0]=4 264 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 N10969 [0,1,0,1,0,0|2,0,0]=4 265 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 Y11221 [0,1,0,1,0,0|2,0,0]=4 266 B13R2.13 NC1=CC=CC(C2=NCCO2)=C1 AB11150 [0,1,0,1,0,0|1,0,1]=4 267 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y10874 [0,1,0,1,0,0|2,0,0]=4 268 B13R2.13 NC1=CC=CC([C@@H]2CCCN2)=C1 Y11079 [0,1,0,1,0,0|2,0,0]=4 269 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 N11374 [0,1,0,1,0,0|2,0,0]=4 270 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 Y11469 [0,1,0,1,0,0|2,0,0]=4 271 B13R2.13 OC1=CC([C@@H]2CCCN2)=CC=C1 Y13338 [0,1,0,1,0,0|2,0,0]=4 272 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11180 [0,1,0,1,0,0|2,0,0]=4 273 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11181 [0,1,0,1,0,0|2,0,0]=4 274 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11214 [0,1,0,1,0,0|2,0,0]=4 275 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 Y11215 [0,1,0,1,0,0|2,0,0]=4 276 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 AR1046 [0,1,0,1,0,0|2,0,0]=4 277 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 I11373 [0,1,0,1,0,0|2,0,0]=4 278 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y10470 [0,1,0,1,0,0|2,0,0]=4 279 B13R2.18 CC1=C([C@@H]2CCCN2)C=CC=C1 Y10768 [0,1,0,1,0,0|2,0,0]=4 280 B13R2.18 C[N+]1=C(C2OCCO2)C=CC=C1 21104 [0,1,0,1,0,0|1,0,0]=3 281 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 AB1344 [0,1,0,1,0,0|2,0,0]=4 282 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 F16861 [0,1,0,1,0,0|2,0,0]=4 283 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 F16959 [0,1,0,1,0,0|2,0,0]=4 284 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 Y11034 [0,1,0,1,0,0|2,0,0]=4 285 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 Y11068 [0,1,0,1,0,0|2,0,0]=4 286 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 33974 [0,1,0,1,0,0|2,0,0]=4 287 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11184 [0,1,0,1,0,0|2,0,0]=4 288 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11185 [0,1,0,1,0,0|2,0,0]=4 289 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11216 [0,1,0,1,0,0|2,0,0]=4 290 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 Y11217 [0,1,0,1,0,0|2,0,0]=4 291 B13R2.18 NC1=C(C2=NCCO2)C=CC=C1 AB11149 [0,1,0,1,0,0|1,0,1]=4 292 B13R2.18 NC1=C(C2OCCO2)C=CC=C1 AB9156 [0,1,0,1,0,0|0,0,0]=2 293 B13R2.18 OC1=C(C2CCCC2)C=CC=C1 C14895 [0,1,0,1,0,0|2,0,0]=4 294 B13R2.18 OC1=C([C@@H]2CCCN2)C=CC=C1 N11372 [0,1,0,1,0,0|2,0,0]=4 295 B13R2.223 CC1(C2=NC=CC=C2)OCCO1 AB3955 [0,1,0,1,0,0|1,0,0]=3 296 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 D72047 [0,0,0,2,0,0|2,0,0]=4 297 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 C75175 [1,0,0,0,0,1|1,0,1]=4 298 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 81451 [1,0,0,0,0,1|2,0,0]=4 299 B11R1.40 C[C@@H](CN)OC1=CC=CC=C1 AR3791 [1,0,0,0,0,1|2,0,0]=4