0 B11R1.12 CCB(CC)C1=CC=CN=C1 D50430 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.12 CN[C@H](CO)C1=CC=CC=C1 M52180 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.12 COB(OC)C1=NC=CC=C1 P5060 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.12 COC(OC)C1=CC=CC=C1 B69843 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.12 COC(OC)C1=NC=NC=C1 D14447 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.12 CO[C@@H](CO)C1=CC=CC=C1 M50282 [0,0,0,0,0,0|2,0,0]=2 6 B11R1.12 OCC(CO)C1=CC=CC=C1 P67660 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.15 C#C[C@@H](C)C1=CC=CC=C1 B64382 [1,0,0,0,0,0|1,0,1]=3 8 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 P68581 [1,0,0,0,0,0|1,0,1]=3 9 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [1,0,0,0,0,0|1,0,2]=4 10 B10R1.15 CC[C@@H](N)C1=CC=CC=C1 P39004 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.15 CC[C@@H](N)C1=NC=CC=C1 P49666 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.15 CC[C@H](N)C1=CC=CN=C1 P46964 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M50312 [1,0,0,0,0,0|1,0,0]=2 14 B10R1.15 CN[C@H](C)C1=CC=CC=C1 M52164 [1,0,0,0,0,0|1,0,0]=2 15 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [1,0,0,0,0,0|1,0,2]=4 17 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [1,0,0,0,0,0|1,0,1]=3 18 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P37912 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P39584 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 P60945 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.15 C[C@@H](NO)C1=CC=CC=C1 P10845 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.15 F[C@@H](CBr)C1=CC=CC=C1 B48763 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 A67914 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.15 NC[C@@H](O)C1=CN=CC=C1 A46466 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.15 NC[C@H](N)C1=CC=CC=C1 P49663 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.15 NC[C@H](O)C1=NC=CC=C1 A46589 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 A67686 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 P39434 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.15 N[C@H](CO)C1=CC=CC=C1 A37812 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 P46829 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.15 OC[C@H](O)C1=CC=CC=C1 P46828 [1,0,0,0,0,0|2,0,0]=3 32 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 C49445 [1,0,0,0,0,0|2,0,0]=3 33 B12R1.12 COC(OC)C1=CC=C(Cl)C=C1 C0943 [0,1,0,0,0,0|0,0,0]=1 34 B12R1.13 COC(OC)C1=CC(N)=NC=C1 A7778 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.13 COC(OC)C1=NC(C)=NC=C1 D46982 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.13 COC(OC)C1=NC(N)=NC=C1 D43757 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.243 COC(OC)C1=NC=CN=C1Cl C14596 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.475 COP(=O)(OC)C1=CC=CC=C1 D46952 [0,1,0,0,0,0|1,0,0]=2 39 B12R1.478 CC[C@@H](C(=O)Cl)C1=CC=CC=C1 P52669 [0,1,0,0,0,0|3,0,0]=4 40 B12R1.478 CO[C@@H](C(=O)O)C1=CC=CC=C1 M68323 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.478 CO[C@H](C(=O)O)C1=CC=CC=C1 M49926 [0,1,0,0,0,0|2,0,0]=3 42 B12R2.1 C#C[C@H]1CCC2=C1C=CC=C2 E64384 [0,0,0,1,0,0|2,0,1]=4 43 B12R2.1 COC1=NNC2=C1C=CC=C2 M15069 [0,0,0,1,0,0|2,0,1]=4 44 B12R2.2 C1=CC(C2=NCCO2)=CN=C1 P48813 [0,0,0,1,0,0|2,0,1]=4 45 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 P8797 [0,0,0,1,0,0|3,0,0]=4 46 B12R2.2 C1=CC=C(N2CCCC2)C=C1 P52876 [0,0,0,1,0,0|3,0,0]=4 47 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P15957 [0,0,0,1,0,0|2,0,0]=3 48 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P24436 [0,0,0,1,0,0|2,0,0]=3 49 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 P54138 [0,0,0,1,0,0|2,0,0]=3 50 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 P1193 [0,0,0,1,0,0|1,0,0]=2 51 B12R2.2 C1=CC=C([C@H]2CCCN2)C=C1 P24304 [0,0,0,1,0,0|2,0,0]=3 52 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P24713 [0,0,0,1,0,0|3,0,0]=4 53 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25684 [0,0,0,1,0,0|3,0,0]=4 54 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P25740 [0,0,0,1,0,0|3,0,0]=4 55 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 P26657 [0,0,0,1,0,0|3,0,0]=4 56 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 P14241 [0,0,0,1,0,0|3,0,0]=4 57 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 P52249 [0,0,0,1,0,0|3,0,0]=4 58 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 P67466 [0,0,0,1,0,0|3,0,0]=4 59 B12R2.2 C1=CN=CC([C@H]2CCCN2)=C1 P52248 [0,0,0,1,0,0|3,0,0]=4 60 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 P13262 [0,0,0,1,0,0|3,0,0]=4 61 B12R2.48 N#CC1(C2=CC=CC=C2)CC1 P53837 [0,0,0,1,0,0|3,0,0]=4 62 B10R1.9 COC(OC)C1=NNC=C1 D41434 [0,0,0,0,1,0|2,0,0]=3 63 B12R1.118 CCN(CC)CC1=CC=CC=C1 B60762 [0,0,0,0,0,1|3,0,0]=4 64 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 M39108 [0,0,0,0,0,1|3,0,0]=4 65 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.6 CN(C)C1=CC=NC=C1 P68104 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.6 C[C@@H](N)C1=CC=CC=C1 P68072 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P43606 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.6 C[C@@H](N)C1=CC=NC=C1 P46584 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.6 C[C@@H](O)C1=CC=CC=C1 P46824 [2,0,0,0,0,0|0,0,0]=2 74 B9R1.6 C[C@@H](O)C1=CC=NC=C1 P46383 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [2,0,0,0,0,0|1,0,0]=3 76 B9R1.6 C[C@H](N)C1=CC=CC=C1 P68597 [2,0,0,0,0,0|1,0,0]=3 77 B9R1.6 C[C@H](N)C1=CC=CC=C1 P69271 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.6 C[C@H](N)C1=CC=NC=C1 P43607 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.6 C[C@H](N)C1=CC=NC=C1 P46582 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.6 C[C@H](O)C1=CC=CC=C1 P46823 [2,0,0,0,0,0|0,0,0]=2 86 B9R1.6 C[C@H](O)C1=CC=NC=C1 P38118 [2,0,0,0,0,0|1,0,0]=3 87 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [2,0,0,0,0,0|2,0,0]=4 89 B9R1.6 C[S@](=O)C1=CC=CC=C1 M61814 [2,0,0,0,0,0|1,0,1]=4 90 B9R1.6 OB(O)C1=CC=NC=C1 P5100 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.6 OB(O)C1=CN=CC=C1 P5080 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.6 OB(O)C1=NC=CC=C1 P36680 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.8 CC#CC1=CC=CC=C1 P68608 [2,0,0,0,0,0|1,0,1]=4 94 B9R1.8 CCCC1=NC=CC=C1 P46859 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.8 CNCC1=CC=NC=C1 M43623 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.8 CNNC1=CC=CC=C1 M46459 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.8 COCC1=NC=CC=C1 M46377 [2,0,0,0,0,0|1,0,0]=3 98 B9R1.8 C\C=C\C1=CC=CC=C1 P62367 [2,0,0,0,0,0|1,0,1]=4 99 B9R1.8 NNCC1=CC=CC=C1 B6123 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.8 NNCC1=CC=CC=C1 B68081 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.8 NOCC1=CC=CC=C1 B68114 [2,0,0,0,0,0|1,0,0]=3 102 B9R1.8 ONCC1=CC=CC=C1 B36744 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.8 ONCC1=CC=CC=C1 B46575 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.8 [C-]#[N+]CC1=CC=CC=C1 B66761 [2,0,0,0,0,0|1,0,1]=4 105 B9R1.8 [Mg+]CCC1=CC=CC=C1 P31723 [2,0,0,0,0,0|2,0,0]=4 106 B11R1.7 C#CC(C)(C)C1=CC=CC=C1 M64383 [1,1,0,0,0,0|1,0,1]=4 107 B11R1.7 C#C[C@@](C)(O)C1=CC=CC=C1 P52408 [1,1,0,0,0,0|1,0,1]=4 108 B11R1.7 CC(C)(C#N)C1=CC=CC=C1 M62343 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.7 CC(C)(CN)C1=CC=CC=C1 M53116 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.7 COS(=O)(=O)C1=CC=CC=C1 M46268 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.16 CCC[C@@H](N)C1=CC=CC=C1 P54182 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.16 CN(CCN)C1=CC=CC=C1 M52257 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.16 CN(CCO)C1=CC=CC=C1 M50351 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.16 N#CC[C@H](O)C1=CC=CC=C1 H51766 [1,1,0,0,0,0|1,0,1]=4 116 B11R1.16 NCC[C@H](O)C1=CC=CC=C1 A55426 [1,1,0,0,0,0|1,0,0]=3 117 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A37972 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 A50352 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 H69256 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [1,1,0,0,0,0|0,0,2]=4 121 B11R1.16 OCC[C@H](O)C1=NC=CC=C1 P46920 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C50162 [1,1,0,0,0,0|1,0,0]=3 123 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 C69270 [1,1,0,0,0,0|1,0,0]=3 124 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 C50160 [1,1,0,0,0,0|1,0,0]=3 125 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.22 CC[C@@H](N)C1=CC=C(Cl)C=C1 C50244 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 F52146 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.22 CC[C@H](C)C1=CC=C(Br)C=C1 B39008 [1,1,0,0,0,0|1,0,0]=3 129 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50231 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.22 CC[C@H](N)C1=CC=C(Br)C=C1 B50235 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.22 CC[C@H](N)C1=CC=C(Cl)C=C1 C37034 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52142 [1,1,0,0,0,0|2,0,0]=4 133 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 F52149 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.22 CN[C@@H](C)C1=CC=C(Br)C=C1 B50237 [1,1,0,0,0,0|1,0,0]=3 135 B11R1.22 CN[C@@H](C)C1=CC=C(Cl)C=C1 C50248 [1,1,0,0,0,0|1,0,0]=3 136 B11R1.22 CN[C@H](C)C1=CC=C(Cl)C=C1 C50247 [1,1,0,0,0,0|1,0,0]=3 137 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 M39489 [1,1,0,0,0,0|0,0,2]=4 138 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [1,1,0,0,0,0|0,0,2]=4 139 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 M64818 [1,1,0,0,0,0|0,0,2]=4 140 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M67923 [1,1,0,0,0,0|0,0,2]=4 141 B11R1.22 C[C@@H](CN)C1=CC=C(O)C=C1 A28643 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.22 C[C@H](C#N)C1=CC=C(Br)C=C1 B51451 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.22 OC[C@H](O)C1=CC=C(Br)C=C1 B49377 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.23 CC[C@@H](N)C1=CC(C)=CC=C1 T54183 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.23 CC[C@@H](N)C1=CC=CC(F)=C1 F52145 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.23 CC[C@H](N)C1=CC=CC(Br)=C1 B50234 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.23 CC[C@H](N)C1=CC=CC(F)=C1 F52148 [1,1,0,0,0,0|2,0,0]=4 148 B11R1.23 CN[C@@H](C)C1=CC=CC(Br)=C1 B50236 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.23 COC(=O)C1=CC(N)=CC=C1 M69084 [1,1,0,0,0,0|0,0,2]=4 150 B11R1.23 COC(=O)C1=CC(O)=CC=C1 M37841 [1,1,0,0,0,0|0,0,2]=4 151 B11R1.23 COC(=O)C1=CC=CC(Br)=C1 M48565 [1,1,0,0,0,0|0,0,2]=4 152 B11R1.23 COC(=O)C1=CC=CC(Cl)=C1 M22864 [1,1,0,0,0,0|0,0,2]=4 153 B11R1.23 COC(=O)C1=CC=CC(F)=C1 M39493 [1,1,0,0,0,0|0,0,2]=4 154 B11R1.23 COC(=O)C1=CC=CC(I)=C1 M48629 [1,1,0,0,0,0|0,0,2]=4 155 B11R1.23 OC[C@H](O)C1=CC=CC(Cl)=C1 C49388 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.23 O[C@@H](CCl)C1=CC=CC(Cl)=C1 C36827 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.36 C[C@@H](C(=O)O)C1=CC=CC=C1 P49885 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.36 C[C@@H](O)[C@@H](N)C1=CC=CC=C1 A52178 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 A52176 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.36 C[C@H](C(=O)O)C1=CC=CC=C1 P36930 [1,1,0,0,0,0|2,0,0]=4 164 B11R1.36 C[C@H](O)[C@@H](N)C1=CC=CC=C1 A52179 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 A52177 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.36 O=C(O)[C@@H](O)C1=CC=CC=C1 M64934 [1,1,0,0,0,0|2,0,0]=4 167 B11R1.222 CC1=C([C@H](C)C#N)C=CC=C1 T52504 [1,1,0,0,0,0|2,0,0]=4 168 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.222 CC[C@H](N)C1=C(Cl)C=CC=C1 C50243 [1,1,0,0,0,0|2,0,0]=4 171 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52141 [1,1,0,0,0,0|2,0,0]=4 172 B11R1.222 CC[C@H](N)C1=C(F)C=CC=C1 F52147 [1,1,0,0,0,0|2,0,0]=4 173 B11R1.222 CC[C@H](N)C1=C(O)C=CC=C1 A52170 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 M39488 [1,1,0,0,0,0|0,0,2]=4 175 B11R1.222 COC(=O)C1=C(C)C=CC=C1 M39531 [1,1,0,0,0,0|0,0,2]=4 176 B11R1.222 COC(=O)C1=C(F)C=CC=C1 M69073 [1,1,0,0,0,0|0,0,2]=4 177 B11R1.222 COC(=O)C1=C(I)C=CC=C1 M67835 [1,1,0,0,0,0|0,0,2]=4 178 B11R1.222 COC(=O)C1=C(S)C=CC=C1 M69035 [1,1,0,0,0,0|0,0,2]=4 179 B13R1.405 CN(C)[C@@H](CCO)C1=CC=CC=C1 D54993 [0,2,0,0,0,0|2,0,0]=4 180 B13R1.961 COC(OC)C1=C(F)C=C(Br)C=C1 B49905 [0,2,0,0,0,0|0,0,0]=2 181 B13R1.646 CNC1=NC=CC(C(OC)OC)=N1 D47056 [0,2,0,0,0,0|2,0,0]=4 182 B13R1.646 COC(OC)C1=CC=NC(SC)=N1 D21936 [0,2,0,0,0,0|2,0,0]=4 183 B13R1.646 COC1=NC(C(OC)OC)=CC=N1 D47000 [0,2,0,0,0,0|2,0,0]=4 184 B13R1.412 COC(OC)(OC)C1=CC=CC=C1 T53092 [0,2,0,0,0,0|0,0,0]=2 185 B13R1.412 CO[Si](OC)(OC)C1=CC=CC=C1 T62638 [0,2,0,0,0,0|0,1,0]=3 186 B11R2.1 CC1=CCC2=C1C=CC=C2 M52270 [1,0,0,1,0,0|1,0,1]=4 187 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 D37063 [1,0,0,1,0,0|2,0,0]=4 188 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52091 [1,0,0,1,0,0|2,0,0]=4 189 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 D52092 [1,0,0,1,0,0|2,0,0]=4 190 B11R2.1 OB1OCC2=C1C=CC=C2 H3680 [1,0,0,1,0,0|1,0,0]=3 191 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 D68576 [1,0,0,1,0,0|1,0,0]=3 192 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D60804 [1,0,0,1,0,0|1,0,0]=3 193 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 D68574 [1,0,0,1,0,0|1,0,0]=3 194 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [1,0,0,1,0,0|2,0,0]=4 195 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 P22144 [1,0,0,1,0,0|2,0,0]=4 196 B11R2.4 N[C@H]1C[C@H]1C2=CC=CC=C2 P24205 [1,0,0,1,0,0|2,0,0]=4 197 B11R2.40 NC1(C2=CC=CC=C2)CC1 P64329 [1,0,0,1,0,0|2,0,0]=4 198 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 B49879 [1,0,0,1,0,0|2,0,0]=4 199 B11R2.2 C1=CSC(C2OCCO2)=N1 D13513 [0,0,0,1,1,0|2,0,0]=4 200 B13R2.3 C1=CC([C@@H]2CNCCO2)=CC=N1 P50172 [0,1,0,1,0,0|2,0,0]=4 201 B13R2.3 C1=CC=C(C2CCCCC2)C=C1 C68848 [0,1,0,1,0,0|2,0,0]=4 202 B13R2.3 C1=CC=C(C2CCNCC2)C=C1 P28437 [0,1,0,1,0,0|2,0,0]=4 203 B13R2.3 C1=CC=C(C2SCCCS2)C=C1 P68812 [0,1,0,1,0,0|0,2,0]=4 204 B13R2.3 C1=CC=C([C@@H]2CCCCN2)C=C1 P54820 [0,1,0,1,0,0|2,0,0]=4 205 B13R2.3 C1=CC=C([C@@H]2CNCCN2)C=C1 P13393 [0,1,0,1,0,0|2,0,0]=4 206 B13R2.3 C1=CC=C([C@@H]2CNCCN2)C=C1 P13419 [0,1,0,1,0,0|2,0,0]=4 207 B13R2.3 C1=CC=C([C@@H]2CNCCO2)C=C1 P9416 [0,1,0,1,0,0|1,0,0]=3 208 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P13331 [0,1,0,1,0,0|1,0,0]=3 209 B13R2.3 C1=CC=C([C@@H]2COCCN2)C=C1 P52920 [0,1,0,1,0,0|1,0,0]=3 210 B13R2.3 C1=CC=C([C@H]2CCCCN2)C=C1 P54819 [0,1,0,1,0,0|2,0,0]=4 211 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 P23480 [0,1,0,1,0,0|2,0,0]=4 212 B13R2.3 C1=CC=C([C@H]2CCCNC2)C=C1 P23657 [0,1,0,1,0,0|2,0,0]=4 213 B13R2.3 C1=CC=C([C@H]2CNCCN2)C=C1 P13420 [0,1,0,1,0,0|2,0,0]=4 214 B13R2.3 C1=CC=C([C@H]2CNCCO2)C=C1 P52921 [0,1,0,1,0,0|1,0,0]=3 215 B13R2.3 C1=CC=C([C@H]2COCCN2)C=C1 P61270 [0,1,0,1,0,0|1,0,0]=3 216 B13R2.3 C1=CN=C([C@@H]2CNCCO2)C=C1 P50171 [0,1,0,1,0,0|2,0,0]=4 217 B13R2.10 C[C@H]1CCC(C2=CC=CC=C2)N1 M30077 [0,1,0,1,0,0|2,0,0]=4 218 B13R2.15 OC1COCC1C2=CC=CC=C2 P52796 [0,1,0,1,0,0|2,0,0]=4 219 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 E54823 [0,1,0,1,0,0|2,0,0]=4 220 B13R2.2539 ICC1(C2=CC=CC=C2)COC1 I8494 [0,1,0,1,0,0|2,0,0]=4 221 B13R2.2539 N#CC1(C2=CC=CC=C2)COC1 P8307 [0,1,0,1,0,0|2,0,0]=4 222 B13R2.2539 NCC1(C2=CC=CC=C2)COC1 P1183 [0,1,0,1,0,0|2,0,0]=4 223 B13R2.2539 OCC1(C2=CC=CC=C2)COC1 P1185 [0,1,0,1,0,0|2,0,0]=4 224 B13R2.2931 CO[IH2]1OC(=O)C2=C1C=CC=C2 M28000 [0,1,0,1,0,0|1,0,1]=4 225 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 B38316 [0,1,0,1,0,0|2,0,0]=4 226 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 B52720 [0,1,0,1,0,0|2,0,0]=4 227 B13R2.12 BrC1=CC=C([C@@H]2CCCN2)C=C1 B52723 [0,1,0,1,0,0|2,0,0]=4 228 B13R2.12 BrC1=CN=C(C2OCCO2)N=C1 B14041 [0,1,0,1,0,0|2,0,0]=4 229 B13R2.12 CC1=CC=C(C2CCCC2)C=C1 C56018 [0,1,0,1,0,0|2,0,0]=4 230 B13R2.12 CC1=CC=C([C@@H]2CCCN2)C=C1 M54822 [0,1,0,1,0,0|2,0,0]=4 231 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 C37360 [0,1,0,1,0,0|2,0,0]=4 232 B13R2.12 ClC1=CC=C([C@@H]2CCCN2)C=C1 C52747 [0,1,0,1,0,0|2,0,0]=4 233 B13R2.12 ClC1=CC=C([C@H]2CCCN2)C=C1 C52745 [0,1,0,1,0,0|2,0,0]=4 234 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 F52750 [0,1,0,1,0,0|2,0,0]=4 235 B13R2.12 FC1=CC=C([C@@H]2CCCN2)C=C1 F54123 [0,1,0,1,0,0|2,0,0]=4 236 B13R2.12 FC1=CC=C([C@H]2CCCN2)C=C1 F37019 [0,1,0,1,0,0|2,0,0]=4 237 B13R2.13 BrC1=CC(C2OCCO2)=CC=C1 B51887 [0,1,0,1,0,0|0,0,0]=2 238 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 B52731 [0,1,0,1,0,0|2,0,0]=4 239 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 B52736 [0,1,0,1,0,0|2,0,0]=4 240 B13R2.13 BrC1=CC([C@@H]2CCCN2)=CC=C1 B63734 [0,1,0,1,0,0|2,0,0]=4 241 B13R2.13 CC1=CC=CC([C@@H]2CCCN2)=C1 M54821 [0,1,0,1,0,0|2,0,0]=4 242 B13R2.13 ClC1=CC([C@H]2CCCN2)=CC=C1 C52744 [0,1,0,1,0,0|2,0,0]=4 243 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F22907 [0,1,0,1,0,0|2,0,0]=4 244 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F52749 [0,1,0,1,0,0|2,0,0]=4 245 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 F54122 [0,1,0,1,0,0|2,0,0]=4 246 B13R2.13 NC1=CC=CC([C@H]2CCCN2)=C1 P54179 [0,1,0,1,0,0|2,0,0]=4 247 B13R2.13 [Mg+]C1=CC(C2OCCO2)=CC=C1 D31799 [0,1,0,1,0,0|0,0,0]=2 248 B13R2.18 BrC1=C(C2OCCO2)C=CC=C1 B51886 [0,1,0,1,0,0|0,0,0]=2 249 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 B36999 [0,1,0,1,0,0|2,0,0]=4 250 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 B52722 [0,1,0,1,0,0|2,0,0]=4 251 B13R2.18 BrC1=C([C@@H]2CCCN2)C=CC=C1 B52735 [0,1,0,1,0,0|2,0,0]=4 252 B13R2.18 BrC1=C([C@H]2CCCN2)C=CC=C1 B63753 [0,1,0,1,0,0|2,0,0]=4 253 B13R2.18 ClC1=C([C@@H]2CCCN2)C=CC=C1 C52746 [0,1,0,1,0,0|2,0,0]=4 254 B13R2.18 FC1=C([C@@H]2CCCN2)C=CC=C1 F25056 [0,1,0,1,0,0|2,0,0]=4 255 B13R2.18 OC1=C(C2CCCC2)C=CC=C1 C62518 [0,1,0,1,0,0|2,0,0]=4 256 B13R2.18 OC1=C([C@@H]2CCCN2)C=CC=C1 P54147 [0,1,0,1,0,0|2,0,0]=4 257 B13R2.18 [Mg+]C1=C(C2OCCO2)C=CC=C1 D31798 [0,1,0,1,0,0|0,0,0]=2 258 B13R3.1962 C1=CC2=C(C=C1)C3CCC2N3 T63009 [0,0,0,2,0,0|2,0,0]=4 259 B11R1.40 C#C[C@@H](O)CC1=CC=CC=C1 P52407 [1,0,0,0,0,1|1,0,1]=4 260 B11R1.40 COC(=O)OC1=CC=CC=C1 M37596 [1,0,0,0,0,1|0,0,2]=4 261 B11R1.40 C[C@@H](C#N)NC1=CC=CC=C1 P38171 [1,0,0,0,0,1|2,0,0]=4