0 B10R1.17 BrCCCC1=CC=CC=C1 SY046253 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.17 C#CCNC1=CC=CC=C1 SY299987 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.17 C#CCOC1=CC=CC=C1 SY048247 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.17 C1=CC=CC=C1CCC#N SY246292 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.17 C=COCC1=CC=CC=C1 SY097145 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.17 CCC#CC1=CC=CC=C1 SY049474 [0,0,0,0,0,0|1,0,2]=3 6 B10R1.17 CCCC[N+]1=CC=CC=C1 SY023279 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.17 CCCC[N+]1=CC=CC=C1 SY033834 [0,0,0,0,0,0|2,0,0]=2 8 B10R1.17 CCNCC1=CC=CN=C1 SY005910 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.17 CCNCC1=CC=NC=C1 SY009304 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.17 CCNCC1=NC=CC=C1 SY005911 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.17 CNCCC1=CC=CC=C1 SY002512 [0,0,0,0,0,0|0,0,0]=0 12 B10R1.17 ClCCCC1=CC=CC=C1 SY048978 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.17 ClCCOC1=CC=CC=C1 SY033599 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.17 ClCOCC1=CC=CC=C1 SY003069 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.17 ICCCC1=CC=CC=C1 SY249461 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.17 ICCCC1=CC=CN=C1 SY250698 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.17 N#CCOC1=CC=CC=C1 SY005439 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.17 N#C\C=C\C1=CC=CC=C1 SY014969 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.17 NCCCC1=CC=CC=C1 SY049659 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.17 NCCCC1=CC=CN=C1 SY022422 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.17 NCCCC1=CC=NC=C1 SY022421 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.17 NCCCC1=NC=CC=C1 SY022423 [0,0,0,0,0,0|3,0,0]=3 23 B10R1.17 NCCNC1=CC=CC=C1 SY009366 [0,0,0,0,0,0|3,0,0]=3 24 B10R1.17 NCCOC1=CC=CC=C1 SY004523 [0,0,0,0,0,0|3,0,0]=3 25 B10R1.17 NCCOC1=CC=CN=C1 SY027634 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.17 NCCOC1=NC=CC=C1 SY020759 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.17 NC\C=C\C1=CC=CC=C1 SY123671 [0,0,0,0,0,0|2,0,2]=4 28 B10R1.17 NNCCC1=CC=CC=C1 SY048081 [0,0,0,0,0,0|1,0,0]=1 29 B10R1.17 NOCCC1=CC=CC=C1 SY114401 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.17 NOCCC1=CC=CC=C1 SY281546 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.17 O=CC#CC1=CC=CC=C1 SY015622 [0,0,0,0,0,0|2,0,2]=4 32 B10R1.17 O=CNCC1=NC=CC=C1 SY236692 [0,0,0,0,0,0|4,0,0]=4 33 B10R1.17 OCC#CC1=CC=CC=C1 SY010793 [0,0,0,0,0,0|2,0,2]=4 34 B10R1.17 OCCCC1=CC=CC=C1 SY003672 [0,0,0,0,0,0|2,0,0]=2 35 B10R1.17 OCCCC1=CC=CN=C1 SY129435 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.17 OCCCC1=CC=NC=C1 SY003677 [0,0,0,0,0,0|3,0,0]=3 37 B10R1.17 OCCCC1=NC=CC=C1 SY023125 [0,0,0,0,0,0|3,0,0]=3 38 B10R1.17 OC\C=C/C1=CC=CC=C1 SY129813 [0,0,0,0,0,0|2,0,2]=4 39 B9R1.8 BrCCC1=NC=CC=C1 SY004999 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.8 CC#CC1=CC=CC=C1 SY048557 [1,0,0,0,0,0|0,0,2]=3 41 B9R1.8 CCCC1=CC=CCC1 SY292099 [1,0,0,0,0,0|0,0,2]=3 42 B9R1.8 CCCC1=NC=CC=C1 SY035538 [1,0,0,0,0,0|1,0,0]=2 43 B9R1.8 CNCC1=CC=CN=C1 SY002368 [1,0,0,0,0,0|1,0,0]=2 44 B9R1.8 CNCC1=CC=NC=C1 SY002386 [1,0,0,0,0,0|1,0,0]=2 45 B9R1.8 CNCC1=NC=CC=C1 SY003781 [1,0,0,0,0,0|1,0,0]=2 46 B9R1.8 COCC1=CC=CC=C1 SY049310 [1,0,0,0,0,0|1,0,0]=2 47 B9R1.8 N#CCC1=CC=NC=C1 SY012818 [1,0,0,0,0,0|1,0,2]=4 48 B9R1.8 N#COC1=CC=CC=C1 SY139763 [1,0,0,0,0,0|1,0,2]=4 49 B9R1.8 NCCC1=CC=CN=C1 SY003234 [1,0,0,0,0,0|1,0,0]=2 50 B9R1.8 NNCC1=CC=CC=C1 SY004756 [1,0,0,0,0,0|1,0,0]=2 51 B9R1.8 NNCC1=CC=CC=C1 SY004764 [1,0,0,0,0,0|1,0,0]=2 52 B9R1.8 NNCC1=NC=CC=C1 SY042125 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.8 NOCC1=CC=CC=C1 SY005671 [1,0,0,0,0,0|1,0,0]=2 54 B9R1.8 NOCC1=CC=CC=C1 SY018100 [1,0,0,0,0,0|1,0,0]=2 55 B9R1.8 NOCC1=CC=CN=C1 SY029692 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.8 NOCC1=CC=CN=C1 SY281597 [1,0,0,0,0,0|2,0,0]=3 57 B9R1.8 NOCC1=CC=NC=C1 SY281602 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.8 NOCC1=CC=NC=C1 SY281603 [1,0,0,0,0,0|2,0,0]=3 59 B9R1.8 NOCC1=NC=CC=C1 SY281576 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.8 NOCC1=NC=CC=C1 SY281577 [1,0,0,0,0,0|2,0,0]=3 61 B9R1.8 O=CNC1=CC=CC=C1 SY011224 [1,0,0,0,0,0|2,0,1]=4 62 B9R1.8 O=COC1=CC=CC=C1 SY106351 [1,0,0,0,0,0|2,0,1]=4 63 B9R1.8 OCCC1=CC=CN=C1 SY004170 [1,0,0,0,0,0|2,0,0]=3 64 B9R1.8 OCCC1=CC=NC=C1 SY001138 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.8 OCCC1=NC=CN=C1 SY025413 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.8 ONCC1=CC=CC=C1 SY019534 [1,0,0,0,0,0|1,0,0]=2 67 B9R1.8 ONCC1=CC=CC=C1 SY024088 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.8 O\N=C\C1=CC=CC=C1 SY112944 [1,0,0,0,0,0|1,0,2]=4 69 B9R1.8 SCCC1=CC=CC=C1 SY039368 [1,0,0,0,0,0|1,0,0]=2 70 B9R1.8 [C-]#[N+]CC1=CC=NC=C1 SY263029 [1,0,0,0,0,0|1,0,2]=4 71 B11R1.1 C=CCCC1=CC=C(O)C=C1 SY045828 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.1 CC1=CC=C(OCC#N)C=C1 SY012326 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.1 CC1=CC=C(OCCN)C=C1 SY008282 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.1 CCCCC1=CC=C(Br)C=C1 SY013489 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.1 CCCCC1=CC=C(I)C=C1 SY029294 [0,1,0,0,0,0|1,0,0]=2 76 B11R1.1 CCCOC1=CC=C(O)C=C1 SY036399 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.1 CCNCC1=CC=C(Br)C=C1 SY002622 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.1 CCNCC1=CC=C(C)C=C1 SY045939 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.1 CCNCC1=CC=C(Cl)C=C1 SY002523 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.1 CCNCC1=CC=C(F)C=C1 SY002625 [0,1,0,0,0,0|2,0,0]=3 81 B11R1.1 CCNCC1=CC=C(N)C=C1 SY003699 [0,1,0,0,0,0|2,0,0]=3 82 B11R1.1 CCNCC1=CC=C(O)C=C1 SY018668 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.1 CNCCC1=CC=C(Cl)C=C1 SY002514 [0,1,0,0,0,0|0,0,0]=1 84 B11R1.1 COCOC1=CC=C(Br)C=C1 SY013180 [0,1,0,0,0,0|2,0,0]=3 85 B11R1.1 COCOC1=CN=C(Cl)C=C1 SY038027 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.1 FC1=CC=C(CCCI)C=C1 SY249460 [0,1,0,0,0,0|2,0,0]=3 87 B11R1.1 N#CCOC1=CC=C(Cl)C=C1 SY060408 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.1 NCCOC1=CC=C(Cl)C=C1 SY008276 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.1 NCCOC1=CC=C(F)C=C1 SY008270 [0,1,0,0,0,0|3,0,0]=4 90 B11R1.1 NCCOC1=CC=C(F)C=C1 SY110214 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.1 NOCCC1=CC=C(Cl)C=C1 SY281852 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.1 NOCCC1=CC=C(Cl)C=C1 SY281853 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.1 NOCCC1=CC=C(F)C=C1 SY281706 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.1 NOCCC1=CC=C(F)C=C1 SY281707 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.1 OCCCC1=CC=C(Br)C=C1 SY008370 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.1 OCCCC1=CC=C(Cl)C=C1 SY062743 [0,1,0,0,0,0|2,0,0]=3 97 B11R1.1 OCCOC1=CC=C(Br)C=C1 SY024949 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.16 CC(CCN)C1=CC=CC=C1 SY035468 [0,1,0,0,0,0|2,0,0]=3 99 B11R1.16 CCCC(=O)C1=CC=CC=N1 SY005363 [0,1,0,0,0,0|2,0,1]=4 100 B11R1.16 CCCC(N)C1=CC=NC=C1 SY014555 [0,1,0,0,0,0|2,0,0]=3 101 B11R1.16 CCCC(N)C1=CN=CC=C1 SY014556 [0,1,0,0,0,0|2,0,0]=3 102 B11R1.16 CCCC(N)C1=NC=CC=C1 SY014554 [0,1,0,0,0,0|2,0,0]=3 103 B11R1.16 CCOC(=N)C1=CC=CC=C1 SY060984 [0,1,0,0,0,0|2,0,1]=4 104 B11R1.16 CCO[PH](=O)C1=CC=CC=C1 SY257193 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.16 CN(CCI)C1=CC=CC=C1 SY268256 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.16 CNNC(=O)C1=CC=CC=C1 SY294316 [0,1,0,0,0,0|1,0,1]=3 107 B11R1.16 COC[C@@H](N)C1=CC=CC=C1 SY025161 [0,1,0,0,0,0|1,0,0]=2 108 B11R1.16 COC[C@H](N)C1=CC=CC=C1 SY039587 [0,1,0,0,0,0|1,0,0]=2 109 B11R1.16 ClCCC(Br)C1=CC=CC=C1 SY027094 [0,1,0,0,0,0|2,0,0]=3 110 B11R1.16 N#CCC(=O)C1=CC=CC=C1 SY011838 [0,1,0,0,0,0|2,0,1]=4 111 B11R1.16 NC(CCO)C1=CC=CC=C1 SY013381 [0,1,0,0,0,0|2,0,0]=3 112 B11R1.16 NCCC(=O)C1=CC=CC=C1 SY263195 [0,1,0,0,0,0|2,0,1]=4 113 B11R1.16 N[C@@H](CCO)C1=CC=CC=C1 SY033781 [0,1,0,0,0,0|2,0,0]=3 114 B11R1.16 N[C@H](CCO)C1=CC=CC=C1 SY002040 [0,1,0,0,0,0|2,0,0]=3 115 B11R1.16 O=C(CCCl)C1=CC=CC=C1 SY004650 [0,1,0,0,0,0|2,0,1]=4 116 B11R1.16 OC(CCCl)C1=CC=CC=C1 SY021671 [0,1,0,0,0,0|2,0,0]=3 117 B11R1.16 OCCC(O)C1=CC=CC=C1 SY271569 [0,1,0,0,0,0|2,0,0]=3 118 B11R1.16 OCC[C@H](O)C1=CC=NC=C1 SY129671 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.16 O[C@@H](CCCl)C1=CC=CC=C1 SY021625 [0,1,0,0,0,0|2,0,0]=3 120 B11R1.16 O[C@H](CCCl)C1=CC=CC=C1 SY021621 [0,1,0,0,0,0|2,0,0]=3 121 B11R1.17 C=CCOC1=CC=CC=C1O SY115738 [0,1,0,0,0,0|2,0,1]=4 122 B11R1.17 CC1=C(OCC#N)C=CC=C1 SY010990 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.17 CC1=C(OCCN)C=CC=C1 SY008284 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.17 CC1=CC=CC=C1NCCO SY012279 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.17 CCCOC1=C(N)C=CC=C1 SY023299 [0,1,0,0,0,0|2,0,0]=3 126 B11R1.17 CCCOC1=CC=CC=C1N SY027786 [0,1,0,0,0,0|2,0,0]=3 127 B11R1.17 CCNCC1=CC=CC=C1O SY018670 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.17 CNCCC1=CC=CC=C1F SY002937 [0,1,0,0,0,0|0,0,0]=1 129 B11R1.17 N#CCOC1=C(Cl)C=CC=C1 SY005438 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.17 N#CCOC1=C(F)C=CC=C1 SY010999 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.17 NCCCC1=CC=CC=C1Br SY030070 [0,1,0,0,0,0|2,0,0]=3 132 B11R1.17 NCCOC1=C(Cl)C=CC=C1 SY008278 [0,1,0,0,0,0|3,0,0]=4 133 B11R1.17 NCCOC1=C(F)C=CC=C1 SY008272 [0,1,0,0,0,0|3,0,0]=4 134 B11R1.17 OCCCC1=CC=CC=C1Br SY021684 [0,1,0,0,0,0|2,0,0]=3 135 B11R1.24 CC1=CC=CC(OCC#N)=C1 SY010989 [0,1,0,0,0,0|3,0,0]=4 136 B11R1.24 CC1=CC=CC(OCCN)=C1 SY008283 [0,1,0,0,0,0|3,0,0]=4 137 B11R1.24 CCNCC1=CC=CC(Br)=C1 SY002525 [0,1,0,0,0,0|2,0,0]=3 138 B11R1.24 CCNCC1=CC=CC(Cl)=C1 SY045903 [0,1,0,0,0,0|2,0,0]=3 139 B11R1.24 CCNCC1=CC=CC(F)=C1 SY002642 [0,1,0,0,0,0|2,0,0]=3 140 B11R1.24 CCNCC1=CC=CC(O)=C1 SY018672 [0,1,0,0,0,0|2,0,0]=3 141 B11R1.24 CNCCC1=CC=CC(Cl)=C1 SY002516 [0,1,0,0,0,0|0,0,0]=1 142 B11R1.24 CNCCC1=CC=CC(F)=C1 SY002844 [0,1,0,0,0,0|0,0,0]=1 143 B11R1.24 COCOC1=CC(Br)=CC=C1 SY165520 [0,1,0,0,0,0|2,0,0]=3 144 B11R1.24 COCOC1=CC=CC(Cl)=C1 SY224767 [0,1,0,0,0,0|2,0,0]=3 145 B11R1.24 N#CCOC1=CC=CC(Cl)=C1 SY011000 [0,1,0,0,0,0|3,0,0]=4 146 B11R1.24 N#CCOC1=CC=CC(F)=C1 SY012355 [0,1,0,0,0,0|3,0,0]=4 147 B11R1.24 NC1=CC(CCCO)=NC=C1 SY246026 [0,1,0,0,0,0|3,0,0]=4 148 B11R1.24 NCCOC1=CC=CC(Br)=C1 SY039347 [0,1,0,0,0,0|3,0,0]=4 149 B11R1.24 NCCOC1=CC=CC(Cl)=C1 SY008277 [0,1,0,0,0,0|3,0,0]=4 150 B11R1.24 NCCOC1=CC=CC(F)=C1 SY008271 [0,1,0,0,0,0|3,0,0]=4 151 B11R1.28 BrCCCCC1=CC=CC=C1 SY036816 [0,1,0,0,0,0|1,0,0]=2 152 B11R1.28 BrCCCOC1=CC=CC=C1 SY020995 [0,1,0,0,0,0|2,0,0]=3 153 B11R1.28 BrCCOCC1=CC=CC=C1 SY021677 [0,1,0,0,0,0|2,0,0]=3 154 B11R1.28 C#CCOCC1=CC=CC=C1 SY025593 [0,1,0,0,0,0|1,0,1]=3 155 B11R1.28 C=CCNCC1=CC=CC=C1 SY051146 [0,1,0,0,0,0|1,0,1]=3 156 B11R1.28 C=CCOCC1=CC=CC=C1 SY052476 [0,1,0,0,0,0|1,0,1]=3 157 B11R1.28 CCNCCC1=CC=CC=C1 SY248623 [0,1,0,0,0,0|0,0,0]=1 158 B11R1.28 ClCCCCC1=CC=NC=C1 SY226263 [0,1,0,0,0,0|2,0,0]=3 159 B11R1.28 ClCCNCC1=CC=CC=C1 SY239742 [0,1,0,0,0,0|2,0,0]=3 160 B11R1.28 ICCOCC1=CC=CC=C1 SY260861 [0,1,0,0,0,0|2,0,0]=3 161 B11R1.28 N#CCOCC1=CC=CC=C1 SY129386 [0,1,0,0,0,0|2,0,0]=3 162 B11R1.28 NCCOCC1=CC=CC=C1 SY018893 [0,1,0,0,0,0|2,0,0]=3 163 B11R1.28 NNCCOC1=CC=CC=C1 SY048090 [0,1,0,0,0,0|1,0,0]=2 164 B11R1.28 NOCCCC1=CC=CC=C1 SY281833 [0,1,0,0,0,0|2,0,0]=3 165 B11R1.28 NOCCCC1=CC=CC=C1 SY281834 [0,1,0,0,0,0|2,0,0]=3 166 B11R1.28 NOCCOC1=CC=CC=C1 SY006322 [0,1,0,0,0,0|2,0,0]=3 167 B11R1.28 O=CCCCC1=CC=CC=C1 SY236716 [0,1,0,0,0,0|1,0,1]=3 168 B11R1.28 OCCCCC1=CC=CC=C1 SY015871 [0,1,0,0,0,0|1,0,0]=2 169 B11R1.28 OCCCCC1=CC=CN=C1 SY022160 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.28 OCCCCC1=CC=NC=C1 SY008209 [0,1,0,0,0,0|2,0,0]=3 171 B11R1.28 OCCCCC1=CC=NC=C1 SY008241 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.28 OCCCCC1=NC=CC=C1 SY022161 [0,1,0,0,0,0|2,0,0]=3 173 B11R1.28 OCCNCC1=CC=CC=C1 SY001172 [0,1,0,0,0,0|2,0,0]=3 174 B11R1.28 OCCOCC1=CC=CC=C1 SY015814 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.40 CC(C#N)NC1=CC=CC=C1 SY027832 [0,1,0,0,0,0|3,0,0]=4 176 B11R1.40 COC(=O)CC1=CC=CN=C1 SY014800 [0,1,0,0,0,0|2,0,1]=4 177 B11R1.40 COC(=O)CC1=CC=CN=C1 SY033634 [0,1,0,0,0,0|2,0,1]=4 178 B11R1.40 COC(=O)CC1=CC=NC=C1 SY003565 [0,1,0,0,0,0|2,0,1]=4 179 B11R1.40 COC(=O)CC1=CC=NC=C1 SY007994 [0,1,0,0,0,0|2,0,1]=4 180 B11R1.40 COC(=O)CC1=NC=CC=C1 SY030291 [0,1,0,0,0,0|2,0,1]=4 181 B11R1.40 N#CC(=O)CC1=CC=CC=C1 SY235509 [0,1,0,0,0,0|2,0,1]=4 182 B11R1.40 NC(CF)CC1=CC=CC=C1 SY045874 [0,1,0,0,0,0|2,0,0]=3 183 B11R1.40 NC(CO)CC1=CC=CC=C1 SY030554 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.40 NNC(=O)CC1=CC=CC=C1 SY032275 [0,1,0,0,0,0|1,0,1]=3 185 B11R1.40 NNC(=O)OC1=CC=CC=C1 SY262826 [0,1,0,0,0,0|2,0,1]=4 186 B11R1.40 N[C@@H](CO)CC1=CC=CC=C1 SY013878 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.40 N[C@H](CF)CC1=CC=CC=C1 SY045873 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.40 ON=C(Cl)CC1=CC=CC=C1 SY039705 [0,1,0,0,0,0|1,0,2]=4 189 B11R1.91 CC(=O)C#CC1=CC=CC=C1 SY051763 [0,1,0,0,0,0|1,0,2]=4 190 B11R1.91 CC(=O)CCC1=CC=CC=C1 SY013502 [0,1,0,0,0,0|1,0,0]=2 191 B11R1.91 CC(=O)COC1=NC=CC=C1 SY251719 [0,1,0,0,0,0|3,0,0]=4 192 B11R1.91 CC(C)NCC1=CC=CC=C1 SY032809 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.91 CC(C)NCC1=CC=CN=C1 SY028833 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.91 CC(C)NCC1=CC=NC=C1 SY028832 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.91 N=C(N)COC1=CC=CC=C1 SY003970 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.91 NC(=O)CCC1=CC=CN=C1 SY022419 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.91 NC(=O)CCC1=CC=NC=C1 SY022418 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.91 NC(=O)CCC1=NC=CC=C1 SY022420 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.91 NC(=O)NCC1=CC=CC=C1 SY049437 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.91 NC(=O)OCC1=CC=CC=C1 SY015067 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.91 O=C(O)CCC1=CC=CC=C1 SY001654 [0,1,0,0,0,0|2,0,0]=3 202 B11R1.91 O=C(O)CCC1=CC=NC=C1 SY022403 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.91 O=C(O)CCC1=CN=CC=C1 SY017981 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.91 O=C(O)CCC1=NC=CC=C1 SY013900 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.91 O=[N+]([O-])CCC1=CC=CC=C1 SY043104 [0,1,0,0,0,0|1,0,1]=3 206 B11R1.91 OB(O)CCC1=CC=CC=C1 SY014651 [0,1,0,0,0,0|2,0,0]=3 207 B11R2.1 C1=CC2=C(C=C1)C=CN2C SY246326 [0,0,0,1,0,0|0,0,2]=3 208 B11R2.1 C1=CC2=C(C=C1)N(C)C=C2 SY246277 [0,0,0,1,0,0|0,0,2]=3 209 B11R2.1 C1=CC2=C(C=CC=C2)N1C SY246324 [0,0,0,1,0,0|0,0,2]=3 210 B11R2.1 C1=CC=CC2=C1C=CN2C SY246325 [0,0,0,1,0,0|0,0,2]=3 211 B11R2.1 C1=CC=CC2=C1N(C)C=C2 SY246327 [0,0,0,1,0,0|0,0,2]=3 212 B11R2.1 C=C1CCC2=C1C=CC=C2 SY031740 [0,0,0,1,0,0|1,0,1]=3 213 B11R2.1 CC1=C2C=CC=CC2=NO1 SY246355 [0,0,0,1,0,0|3,0,0]=4 214 B11R2.1 CC1=COC2=CC=CC=C12 SY028461 [0,0,0,1,0,0|2,0,1]=4 215 B11R2.1 CC1=NNC2=C1C=CC=C2 SY015996 [0,0,0,1,0,0|3,0,0]=4 216 B11R2.1 CC1CCC2=NC=CN=C21 SY036943 [0,0,0,1,0,0|3,0,0]=4 217 B11R2.1 CC1CNC2=C1C=CC=C2 SY178552 [0,0,0,1,0,0|2,0,0]=3 218 B11R2.1 CN1C=CC2=C1N=CC=C2 SY060390 [0,0,0,1,0,0|1,0,2]=4 219 B11R2.1 CN1C=NC2=CC=CC=C21 SY042696 [0,0,0,1,0,0|1,0,1]=3 220 B11R2.1 CN1CNC2=CC=CC=C21 SY289611 [0,0,0,1,0,0|1,0,0]=2 221 B11R2.1 ClN1N=NC2=CC=CC=C21 SY018647 [0,0,0,1,0,0|3,0,0]=4 222 B11R2.1 NC1=NCC2=C1C=CC=C2 SY027372 [0,0,0,1,0,0|3,0,0]=4 223 B11R2.1 NC1CCC2=C1C=CC=C2 SY004953 [0,0,0,1,0,0|2,0,0]=3 224 B11R2.1 NC1CCC2=CC=CC=C21 SY004234 [0,0,0,1,0,0|2,0,0]=3 225 B11R2.1 NC1COC2=CC=CC=C21 SY283285 [0,0,0,1,0,0|3,0,0]=4 226 B11R2.1 NN1C=CC2=C1C=CC=C2 SY024456 [0,0,0,1,0,0|1,0,2]=4 227 B11R2.1 NN1CCC2=C1C=CC=C2 SY096651 [0,0,0,1,0,0|1,0,0]=2 228 B11R2.1 NN1N=NC2=C1C=CC=C2 SY008977 [0,0,0,1,0,0|3,0,0]=4 229 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 SY030463 [0,0,0,1,0,0|2,0,0]=3 230 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 SY028017 [0,0,0,1,0,0|2,0,0]=3 231 B11R2.1 O=C1CCC2=C1C=CC=C2 SY001380 [0,0,0,1,0,0|2,0,0]=3 232 B11R2.1 O=C1CCC2=C1C=CN=C2 SY009406 [0,0,0,1,0,0|3,0,0]=4 233 B11R2.1 O=C1CCC2=CC=CN=C12 SY009408 [0,0,0,1,0,0|3,0,0]=4 234 B11R2.1 O=C1CCC2=NC=CC=C12 SY009444 [0,0,0,1,0,0|3,0,0]=4 235 B11R2.1 O=C1COC2=C1C=CC=C2 SY011530 [0,0,0,1,0,0|3,0,0]=4 236 B11R2.1 O=C1CSC2=CC=CC=C12 SY030591 [0,0,0,1,0,0|3,0,0]=4 237 B11R2.1 O=C1NCC2=C1C=CC=C2 SY020116 [0,0,0,1,0,0|3,0,0]=4 238 B11R2.1 O=C1OCC2=C1C=CC=C2 SY001701 [0,0,0,1,0,0|3,0,0]=4 239 B11R2.1 OB1OCC2=CC=CC=C12 SY025271 [0,0,0,1,0,0|3,0,0]=4 240 B11R2.1 OC1CCC2=C1C=CC=C2 SY014889 [0,0,0,1,0,0|2,0,0]=3 241 B11R2.1 OC1CCC2=C1N=CC=C2 SY017306 [0,0,0,1,0,0|3,0,0]=4 242 B11R2.1 ON1N=CC2=C1C=CC=C2 SY274261 [0,0,0,1,0,0|2,0,1]=4 243 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 SY275070 [0,0,0,1,0,0|2,0,0]=3 244 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 SY277942 [0,0,0,1,0,0|2,0,0]=3 245 B11R2.4 N[C@H]1C[C@@H]1C2=CC=CC=C2 SY037504 [0,0,0,1,0,0|2,0,0]=3 246 B11R2.20 C1=CC2=C(C=C1)CCC=C2 SY050004 [0,0,0,1,0,0|1,0,1]=3 247 B11R2.20 C1=CC2=C(C=C1)CCN=C2 SY025255 [0,0,0,1,0,0|0,0,2]=3 248 B11R2.20 C1=CC2=C(C=C1)CNCC2 SY001156 [0,0,0,1,0,0|0,0,0]=1 249 B11R2.20 C1=CC2=C(C=C1)CNNC2 SY022231 [0,0,0,1,0,0|1,0,0]=2 250 B11R2.20 C1=CC2=C(C=C1)COCC2 SY018228 [0,0,0,1,0,0|1,0,0]=2 251 B11R2.20 C1=CC2=C(C=C1)CSCC2 SY286030 [0,0,0,1,0,0|1,0,0]=2 252 B11R2.20 C1=CC2=C(C=C1)NCCC2 SY001847 [0,0,0,1,0,0|2,0,0]=3 253 B11R2.20 C1=CC2=C(C=C1)NCCN2 SY025682 [0,0,0,1,0,0|3,0,0]=4 254 B11R2.20 C1=CC2=C(C=C1)OCCC2 SY174231 [0,0,0,1,0,0|2,0,0]=3 255 B11R2.20 C1=CC2=C(C=C1)OCCN2 SY011618 [0,0,0,1,0,0|3,0,0]=4 256 B11R2.20 C1=CC2=C(C=N1)CCCN2 SY023238 [0,0,0,1,0,0|3,0,0]=4 257 B11R2.20 C1=CC2=C(CCCC2)N=C1 SY004991 [0,0,0,1,0,0|2,0,0]=3 258 B11R2.20 C1=CC2=C(CCNC2)N=C1 SY022463 [0,0,0,1,0,0|1,0,0]=2 259 B11R2.20 C1=CC2=C(CNCC2)N=C1 SY114285 [0,0,0,1,0,0|1,0,0]=2 260 B11R2.20 C1=CC2=C(N=C1)NCCC2 SY022462 [0,0,0,1,0,0|3,0,0]=4 261 B11R2.20 C1=CC=C2OCCOC2=C1 SY032893 [0,0,0,1,0,0|3,0,0]=4 262 B11R2.20 C1=CC=C2SCCNC2=C1 SY079423 [0,0,0,1,0,0|3,0,0]=4 263 B11R2.20 C1=CN=C2CCCNC2=C1 SY011552 [0,0,0,1,0,0|3,0,0]=4 264 B11R2.20 C1=CN=C2CCNCC2=C1 SY022124 [0,0,0,1,0,0|1,0,0]=2 265 B11R2.20 C1=NC2=C(CCCC2)N=C1 SY020997 [0,0,0,1,0,0|3,0,0]=4 266 B11R2.20 C1=NC=C2CNCCC2=C1 SY102429 [0,0,0,1,0,0|1,0,0]=2 267 B11R2.20 C1=NC=C2CNCCC2=N1 SY025899 [0,0,0,1,0,0|2,0,0]=3 268 B11R2.238 C1=CC=C(NC2CC2)C=C1 SY207735 [0,0,0,1,0,0|2,0,0]=3 269 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267170 [0,0,0,1,0,0|1,0,0]=2 270 B11R2.239 C1=CC(C2CNC2)=CC=N1 SY267171 [0,0,0,1,0,0|1,0,0]=2 271 B11R2.239 C1=CC=C(C2CNC2)C=C1 SY059527 [0,0,0,1,0,0|0,0,0]=1 272 B11R2.239 C1=CN=C(C2CNC2)C=C1 SY267180 [0,0,0,1,0,0|1,0,0]=2 273 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267167 [0,0,0,1,0,0|1,0,0]=2 274 B11R2.239 C1=CN=CC(C2CNC2)=C1 SY267168 [0,0,0,1,0,0|1,0,0]=2 275 B9R1.12 CCCCC1=NC=CN1 SY032916 [0,0,0,0,1,0|3,0,0]=4 276 B9R1.12 CCNCC1=CC=CS1 SY002526 [0,0,0,0,1,0|3,0,0]=4 277 B9R1.12 ICCCC1=CC=CS1 SY249459 [0,0,0,0,1,0|3,0,0]=4 278 B9R1.12 N#CCCN1C=CC=C1 SY011924 [0,0,0,0,1,0|3,0,0]=4 279 B9R1.12 NCCCC1=CC=CS1 SY035928 [0,0,0,0,1,0|3,0,0]=4 280 B9R1.12 OCCCC1=CC=CS1 SY003289 [0,0,0,0,1,0|3,0,0]=4 281 B9R1.12 OCCCC1=CSC=C1 SY026504 [0,0,0,0,1,0|3,0,0]=4 282 B8R1.2 BrCC1=CC=CN=C1 SY002302 [2,0,0,0,0,0|2,0,0]=4 283 B8R1.2 CCC1=CCCC=C1 SY292098 [2,0,0,0,0,0|0,0,2]=4 284 B8R1.2 CC[N+]1=CC=CC=C1 SY073856 [2,0,0,0,0,0|1,0,0]=3 285 B8R1.2 CNC1=CC=CN=C1 SY019910 [2,0,0,0,0,0|1,0,0]=3 286 B8R1.2 CNC1=CC=NC=C1 SY007759 [2,0,0,0,0,0|1,0,0]=3 287 B8R1.2 CNC1=NC=CC=N1 SY109149 [2,0,0,0,0,0|2,0,0]=4 288 B8R1.2 COC1=CC=CN=C1 SY024150 [2,0,0,0,0,0|2,0,0]=4 289 B8R1.2 COC1=CC=NC=C1 SY003216 [2,0,0,0,0,0|2,0,0]=4 290 B8R1.2 CSC1=NC=CC=C1 SY015557 [2,0,0,0,0,0|2,0,0]=4 291 B8R1.2 ICC1=CC=CN=C1 SY027729 [2,0,0,0,0,0|2,0,0]=4 292 B8R1.2 N#CC1=CC=CC=C1 SY007899 [2,0,0,0,0,0|0,0,2]=4 293 B8R1.2 NCC1=CC=CC=C1 SY020429 [2,0,0,0,0,0|0,0,0]=2 294 B8R1.2 NCC1=CN=CN=C1 SY104794 [2,0,0,0,0,0|2,0,0]=4 295 B8R1.2 NCC1=NC=CC=N1 SY019710 [2,0,0,0,0,0|2,0,0]=4 296 B8R1.2 NCC1=NC=CC=N1 SY019711 [2,0,0,0,0,0|2,0,0]=4 297 B8R1.2 NCC1=NC=CN=C1 SY006799 [2,0,0,0,0,0|2,0,0]=4 298 B8R1.2 NCC1=NC=CN=C1 SY020278 [2,0,0,0,0,0|2,0,0]=4 299 B8R1.2 NCC1=NC=NC=C1 SY041990 [2,0,0,0,0,0|2,0,0]=4 300 B8R1.2 NNC1=CC=CC=N1 SY013843 [2,0,0,0,0,0|2,0,0]=4 301 B8R1.2 NNC1=CC=CN=C1 SY018650 [2,0,0,0,0,0|2,0,0]=4 302 B8R1.2 NNC1=CC=NC=C1 SY041995 [2,0,0,0,0,0|2,0,0]=4 303 B8R1.2 NNC1=CC=NC=C1 SY128124 [2,0,0,0,0,0|2,0,0]=4 304 B8R1.2 NOC1=CC=CC=C1 SY116626 [2,0,0,0,0,0|1,0,0]=3 305 B8R1.2 NOC1=CC=CN=C1 SY282516 [2,0,0,0,0,0|2,0,0]=4 306 B8R1.2 NOC1=CC=CN=C1 SY282517 [2,0,0,0,0,0|2,0,0]=4 307 B8R1.2 NOC1=CC=NC=C1 SY282541 [2,0,0,0,0,0|2,0,0]=4 308 B8R1.2 NOC1=CC=NC=C1 SY282542 [2,0,0,0,0,0|2,0,0]=4 309 B8R1.2 O=NC1=CC=CC=C1 SY031930 [2,0,0,0,0,0|1,0,1]=4 310 B8R1.2 OCC1=CC=CC=N1 SY005684 [2,0,0,0,0,0|2,0,0]=4 311 B8R1.2 OCC1=CC=CN=C1 SY001086 [2,0,0,0,0,0|2,0,0]=4 312 B8R1.2 OCC1=CC=NC=C1 SY003306 [2,0,0,0,0,0|2,0,0]=4 313 B8R1.2 [C-]#[N+]C1=CC=CC=C1 SY243548 [2,0,0,0,0,0|0,0,2]=4 314 B10R0.71 CCCCC\C=C\C=C\C=O SY017792 [0,1,1,0,0,0|1,0,1]=4 315 B10R1.1 C=CCC1=CC=C(O)C=C1 SY045829 [1,1,0,0,0,0|0,0,2]=4 316 B10R1.1 CC1=CC=C(CCO)C=C1 SY036805 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.1 CC1=CC=C(CNN)C=C1 SY048073 [1,1,0,0,0,0|1,0,0]=3 318 B10R1.1 CCCC1=CC=C(Br)C=C1 SY016468 [1,1,0,0,0,0|0,0,0]=2 319 B10R1.1 CCOC1=CC=C(Br)C=C1 SY001830 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.1 CCOC1=CC=C(I)C=C1 SY018622 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.1 CCOC1=CC=C(O)C=C1 SY015677 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.1 CCOC1=NC=C(Br)C=C1 SY018882 [1,1,0,0,0,0|2,0,0]=4 323 B10R1.1 CNCC1=CC=C(Br)C=C1 SY002627 [1,1,0,0,0,0|0,0,0]=2 324 B10R1.1 CNCC1=CC=C(Br)C=C1 SY006057 [1,1,0,0,0,0|0,0,0]=2 325 B10R1.1 CNCC1=CC=C(C)C=C1 SY004191 [1,1,0,0,0,0|0,0,0]=2 326 B10R1.1 CNCC1=CC=C(C)C=C1 SY016090 [1,1,0,0,0,0|0,0,0]=2 327 B10R1.1 CNCC1=CC=C(Cl)C=C1 SY002430 [1,1,0,0,0,0|0,0,0]=2 328 B10R1.1 CNCC1=CC=C(Cl)C=C1 SY002434 [1,1,0,0,0,0|0,0,0]=2 329 B10R1.1 CNCC1=CC=C(F)C=C1 SY002630 [1,1,0,0,0,0|0,0,0]=2 330 B10R1.1 CNCC1=CC=C(N)C=C1 SY003698 [1,1,0,0,0,0|0,0,0]=2 331 B10R1.1 CNCC1=CC=C(O)C=C1 SY018667 [1,1,0,0,0,0|0,0,0]=2 332 B10R1.1 CNCC1=CN=C(C)C=C1 SY031591 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.1 COCC1=CC=C(N)C=C1 SY003771 [1,1,0,0,0,0|1,0,0]=3 334 B10R1.1 COCC1=CC=C(O)C=C1 SY026430 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.1 C\C=C/C1=CC=C(N)C=C1 SY293239 [1,1,0,0,0,0|0,0,2]=4 336 B10R1.1 ClC1=CC=C(CCBr)C=C1 SY101293 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.1 ClCOC1=CC=C(Br)C=C1 SY298491 [1,1,0,0,0,0|2,0,0]=4 338 B10R1.1 ClCOC1=CC=C(I)C=C1 SY298419 [1,1,0,0,0,0|2,0,0]=4 339 B10R1.1 FC1=CC=C(CCBr)C=C1 SY004855 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.1 N#CCC1=CC=C(I)C=C1 SY030019 [1,1,0,0,0,0|0,0,2]=4 341 B10R1.1 N#CCC1=CC=C(N)C=C1 SY015676 [1,1,0,0,0,0|0,0,2]=4 342 B10R1.1 NC1=CC=C(CCO)C=C1 SY030989 [1,1,0,0,0,0|1,0,0]=3 343 B10R1.1 NCCC1=CC=C(Br)C=C1 SY004635 [1,1,0,0,0,0|0,0,0]=2 344 B10R1.1 NCCC1=CC=C(Cl)C=C1 SY006689 [1,1,0,0,0,0|0,0,0]=2 345 B10R1.1 NCCC1=CC=C(F)C=C1 SY279169 [1,1,0,0,0,0|0,0,0]=2 346 B10R1.1 NCCC1=CC=C(N)C=C1 SY002473 [1,1,0,0,0,0|0,0,0]=2 347 B10R1.1 NCCC1=CC=C(O)C=C1 SY002127 [1,1,0,0,0,0|0,0,0]=2 348 B10R1.1 NCCC1=CC=C(O)C=C1 SY057039 [1,1,0,0,0,0|0,0,0]=2 349 B10R1.1 NNCC1=CC=C(Br)C=C1 SY048080 [1,1,0,0,0,0|1,0,0]=3 350 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281555 [1,1,0,0,0,0|1,0,0]=3 351 B10R1.1 NOCC1=CC=C(Br)C=C1 SY281556 [1,1,0,0,0,0|1,0,0]=3 352 B10R1.1 NOCC1=CC=C(F)C=C1 SY246091 [1,1,0,0,0,0|1,0,0]=3 353 B10R1.1 NOCC1=CC=C(I)C=C1 SY281768 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.1 NOCC1=CC=C(I)C=C1 SY281769 [1,1,0,0,0,0|1,0,0]=3 355 B10R1.1 NOCC1=NC=C(Br)C=C1 SY281642 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.1 NOCC1=NC=C(Br)C=C1 SY281643 [1,1,0,0,0,0|2,0,0]=4 357 B10R1.1 NOCC1=NC=C(Cl)C=C1 SY281648 [1,1,0,0,0,0|2,0,0]=4 358 B10R1.1 NOCC1=NC=C(Cl)C=C1 SY281649 [1,1,0,0,0,0|2,0,0]=4 359 B10R1.1 O=CCC1=CC=C(Br)C=C1 SY110273 [1,1,0,0,0,0|1,0,1]=4 360 B10R1.1 OC1=CC=C(CCBr)C=C1 SY020164 [1,1,0,0,0,0|1,0,0]=3 361 B10R1.1 OCCC1=CC=C(Br)C=C1 SY002573 [1,1,0,0,0,0|1,0,0]=3 362 B10R1.1 OCCC1=CC=C(Br)N=C1 SY253046 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.1 OCCC1=CC=C(Cl)C=C1 SY018274 [1,1,0,0,0,0|1,0,0]=3 364 B10R1.1 OCCC1=CC=C(Cl)N=C1 SY035951 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.1 OCCC1=CC=C(F)C=C1 SY016325 [1,1,0,0,0,0|1,0,0]=3 366 B10R1.1 OCCC1=CC=C(F)N=C1 SY262258 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.1 OCCC1=CC=C(I)C=C1 SY105110 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.1 OCCC1=CC=C(O)C=C1 SY001653 [1,1,0,0,0,0|1,0,0]=3 369 B10R1.1 OCCC1=NC=C(Br)C=C1 SY234050 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.4 CC1=CC=CC=C1CCO SY036944 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.4 CC1=CC=CC=C1OCCl SY298330 [1,1,0,0,0,0|2,0,0]=4 372 B10R1.4 CCNC1=NC=CC=C1N SY184449 [1,1,0,0,0,0|2,0,0]=4 373 B10R1.4 CCOC1=C(Br)C=CC=C1 SY018463 [1,1,0,0,0,0|1,0,0]=3 374 B10R1.4 CCOC1=C(C)C=CN=C1 SY129406 [1,1,0,0,0,0|2,0,0]=4 375 B10R1.4 CCOC1=CC=CN=C1F SY035897 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.4 CCOC1=CC=CNC1=O SY023905 [1,1,0,0,0,0|2,0,0]=4 377 B10R1.4 CCOC1=NC=CC=C1Br SY053418 [1,1,0,0,0,0|2,0,0]=4 378 B10R1.4 CCSC1=CC=CN=C1Br SY285813 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.4 CCSC1=CC=CN=C1F SY285811 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.4 CNCC1=C(Br)C=CC=C1 SY005450 [1,1,0,0,0,0|0,0,0]=2 381 B10R1.4 CNCC1=CC=CC=C1C SY021461 [1,1,0,0,0,0|0,0,0]=2 382 B10R1.4 CNCC1=CC=CC=C1Cl SY023323 [1,1,0,0,0,0|0,0,0]=2 383 B10R1.4 CNCC1=CC=CC=C1F SY005451 [1,1,0,0,0,0|0,0,0]=2 384 B10R1.4 CNCC1=CC=CN=C1C SY031590 [1,1,0,0,0,0|1,0,0]=3 385 B10R1.4 COCC1=CC=CC=C1O SY026429 [1,1,0,0,0,0|1,0,0]=3 386 B10R1.4 ClC1=C(CCBr)C=CC=C1 SY004845 [1,1,0,0,0,0|1,0,0]=3 387 B10R1.4 ClCOC1=C(I)C=CC=C1 SY298441 [1,1,0,0,0,0|2,0,0]=4 388 B10R1.4 ClCOC1=CC=CC=C1Br SY298326 [1,1,0,0,0,0|2,0,0]=4 389 B10R1.4 ClCOC1=CC=CC=C1Cl SY298558 [1,1,0,0,0,0|2,0,0]=4 390 B10R1.4 FC1=CC=CC=C1CCCl SY035952 [1,1,0,0,0,0|1,0,0]=3 391 B10R1.4 N#CCC1=C(N)C=CC=C1 SY011031 [1,1,0,0,0,0|0,0,2]=4 392 B10R1.4 N#CCC1=CC=CC=C1I SY101179 [1,1,0,0,0,0|0,0,2]=4 393 B10R1.4 N#CCC1=CC=CC=C1O SY012295 [1,1,0,0,0,0|0,0,2]=4 394 B10R1.4 NCCC1=CC=CC=C1N SY104426 [1,1,0,0,0,0|0,0,0]=2 395 B10R1.4 NCCC1=CC=CC=C1O SY040467 [1,1,0,0,0,0|0,0,0]=2 396 B10R1.4 NNCC1=CC=CC=C1Br SY048078 [1,1,0,0,0,0|1,0,0]=3 397 B10R1.4 NNCC1=CC=CC=C1Cl SY040715 [1,1,0,0,0,0|1,0,0]=3 398 B10R1.4 NNCC1=CC=CC=C1F SY033589 [1,1,0,0,0,0|1,0,0]=3 399 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281604 [1,1,0,0,0,0|2,0,0]=4 400 B10R1.4 NOCC1=C(Br)C=NC=C1 SY281605 [1,1,0,0,0,0|2,0,0]=4 401 B10R1.4 NOCC1=C(F)C=NC=C1 SY281606 [1,1,0,0,0,0|2,0,0]=4 402 B10R1.4 NOCC1=C(F)C=NC=C1 SY281607 [1,1,0,0,0,0|2,0,0]=4 403 B10R1.4 NOCC1=CC=CC=C1Br SY281558 [1,1,0,0,0,0|1,0,0]=3 404 B10R1.4 NOCC1=CC=CC=C1Br SY281559 [1,1,0,0,0,0|1,0,0]=3 405 B10R1.4 NOCC1=CC=CC=C1Cl SY281561 [1,1,0,0,0,0|1,0,0]=3 406 B10R1.4 NOCC1=CC=CC=C1F SY047853 [1,1,0,0,0,0|1,0,0]=3 407 B10R1.4 NOCC1=CC=CC=C1F SY281571 [1,1,0,0,0,0|1,0,0]=3 408 B10R1.4 NOCC1=CC=CC=C1I SY281752 [1,1,0,0,0,0|1,0,0]=3 409 B10R1.4 NOCC1=NC=CC=C1F SY281659 [1,1,0,0,0,0|2,0,0]=4 410 B10R1.4 NOCC1=NC=CC=C1F SY281660 [1,1,0,0,0,0|2,0,0]=4 411 B10R1.4 OCCC1=C(Br)C=CC=C1 SY011299 [1,1,0,0,0,0|1,0,0]=3 412 B10R1.4 OCCC1=C(Cl)C=CC=C1 SY005018 [1,1,0,0,0,0|1,0,0]=3 413 B10R1.4 OCCC1=CC=CC=C1F SY021828 [1,1,0,0,0,0|1,0,0]=3 414 B10R1.4 OCCC1=CC=CC=C1I SY096684 [1,1,0,0,0,0|1,0,0]=3 415 B10R1.4 OCCC1=CC=CC=C1O SY066615 [1,1,0,0,0,0|1,0,0]=3 416 B10R1.10 C=CCC1=CC(O)=CC=C1 SY029063 [1,1,0,0,0,0|0,0,2]=4 417 B10R1.10 CC1=CC(CC#N)=CC=C1 SY046497 [1,1,0,0,0,0|0,0,2]=4 418 B10R1.10 CC1=CC(CCO)=CC=C1 SY051329 [1,1,0,0,0,0|1,0,0]=3 419 B10R1.10 CC1=CC(CON)=CC=C1 SY281673 [1,1,0,0,0,0|1,0,0]=3 420 B10R1.10 CC1=CC(CON)=CC=C1 SY281674 [1,1,0,0,0,0|1,0,0]=3 421 B10R1.10 CC1=CC=CC(CCO)=N1 SY162922 [1,1,0,0,0,0|2,0,0]=4 422 B10R1.10 CC1=CC=CC(CON)=N1 SY281644 [1,1,0,0,0,0|2,0,0]=4 423 B10R1.10 CC1=CC=CC(CON)=N1 SY281645 [1,1,0,0,0,0|2,0,0]=4 424 B10R1.10 CC1=NC(CCBr)=CC=C1 SY224318 [1,1,0,0,0,0|2,0,0]=4 425 B10R1.10 CCNC1=CC=CC(Br)=C1 SY040310 [1,1,0,0,0,0|1,0,0]=3 426 B10R1.10 CCOC1=CC(Br)=CC=C1 SY049073 [1,1,0,0,0,0|1,0,0]=3 427 B10R1.10 CCOC1=CC(Cl)=NC=C1 SY032380 [1,1,0,0,0,0|2,0,0]=4 428 B10R1.10 CCOC1=CC=NC(N)=C1 SY006018 [1,1,0,0,0,0|2,0,0]=4 429 B10R1.10 CCOC1=CN=CC(N)=C1 SY032850 [1,1,0,0,0,0|2,0,0]=4 430 B10R1.10 CCOC1=NC=CC(N)=C1 SY013227 [1,1,0,0,0,0|2,0,0]=4 431 B10R1.10 CNCC1=CC(Br)=NC=C1 SY292039 [1,1,0,0,0,0|1,0,0]=3 432 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002048 [1,1,0,0,0,0|0,0,0]=2 433 B10R1.10 CNCC1=CC=CC(Br)=C1 SY002435 [1,1,0,0,0,0|0,0,0]=2 434 B10R1.10 CNCC1=CC=CC(Cl)=C1 SY104087 [1,1,0,0,0,0|0,0,0]=2 435 B10R1.10 CNCC1=CC=CC(F)=C1 SY002641 [1,1,0,0,0,0|0,0,0]=2 436 B10R1.10 CNCC1=CC=CC(O)=C1 SY018671 [1,1,0,0,0,0|0,0,0]=2 437 B10R1.10 COCC1=CC=CC(N)=C1 SY003772 [1,1,0,0,0,0|1,0,0]=3 438 B10R1.10 COCC1=CN=CC(Br)=C1 SY250264 [1,1,0,0,0,0|2,0,0]=4 439 B10R1.10 CSCC1=CC(N)=NC=C1 SY073684 [1,1,0,0,0,0|2,0,0]=4 440 B10R1.10 ClC1=CC=CC(CCBr)=C1 SY004844 [1,1,0,0,0,0|1,0,0]=3 441 B10R1.10 ClCOC1=CC(Br)=CC=C1 SY293036 [1,1,0,0,0,0|2,0,0]=4 442 B10R1.10 ClCOC1=CC(Cl)=CC=C1 SY298324 [1,1,0,0,0,0|2,0,0]=4 443 B10R1.10 FC1=CC(CCBr)=CC=C1 SY035660 [1,1,0,0,0,0|1,0,0]=3 444 B10R1.10 FC1=CC=CC(OCCl)=C1 SY298336 [1,1,0,0,0,0|2,0,0]=4 445 B10R1.10 NC1=CC(CCO)=CC=C1 SY076026 [1,1,0,0,0,0|1,0,0]=3 446 B10R1.10 NC1=CC=NC(CCO)=C1 SY026069 [1,1,0,0,0,0|2,0,0]=4 447 B10R1.10 NCCC1=CC=CC(Cl)=C1 SY011429 [1,1,0,0,0,0|0,0,0]=2 448 B10R1.10 NCCC1=CC=CC(O)=C1 SY005806 [1,1,0,0,0,0|0,0,0]=2 449 B10R1.10 NNCC1=CC=CC(Br)=C1 SY048079 [1,1,0,0,0,0|1,0,0]=3 450 B10R1.10 NNCC1=CC=CC(Cl)=C1 SY040680 [1,1,0,0,0,0|1,0,0]=3 451 B10R1.10 NNCC1=CC=CC(F)=C1 SY048077 [1,1,0,0,0,0|1,0,0]=3 452 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281624 [1,1,0,0,0,0|2,0,0]=4 453 B10R1.10 NOCC1=CC(Br)=CN=C1 SY281625 [1,1,0,0,0,0|2,0,0]=4 454 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281696 [1,1,0,0,0,0|1,0,0]=3 455 B10R1.10 NOCC1=CC=CC(Br)=C1 SY281697 [1,1,0,0,0,0|1,0,0]=3 456 B10R1.10 NOCC1=CC=CC(F)=C1 SY281567 [1,1,0,0,0,0|1,0,0]=3 457 B10R1.10 NOCC1=CC=CC(I)=C1 SY281770 [1,1,0,0,0,0|1,0,0]=3 458 B10R1.10 NOCC1=CC=CC(I)=C1 SY281771 [1,1,0,0,0,0|1,0,0]=3 459 B10R1.10 O=CCC1=CC=CC(Br)=C1 SY239726 [1,1,0,0,0,0|1,0,1]=4 460 B10R1.10 OCCC1=CC(Br)=CC=C1 SY006105 [1,1,0,0,0,0|1,0,0]=3 461 B10R1.10 OCCC1=CC(Cl)=CC=C1 SY005019 [1,1,0,0,0,0|1,0,0]=3 462 B10R1.10 OCCC1=CC(F)=CC=C1 SY015136 [1,1,0,0,0,0|1,0,0]=3 463 B10R1.10 OCCC1=CC=CC(Br)=N1 SY037350 [1,1,0,0,0,0|2,0,0]=4 464 B10R1.10 OCCC1=CC=CC(O)=C1 SY011808 [1,1,0,0,0,0|1,0,0]=3 465 B10R1.10 OCCC1=NC=CC(Br)=C1 SY037353 [1,1,0,0,0,0|2,0,0]=4 466 B10R1.15 C#CC(O)C1=CC=CC=C1 SY008627 [1,1,0,0,0,0|0,0,2]=4 467 B10R1.15 C#C[C@@H](O)C1=CC=CC=C1 SY008626 [1,1,0,0,0,0|0,0,2]=4 468 B10R1.15 C#C[C@H](O)C1=CC=CC=C1 SY008625 [1,1,0,0,0,0|0,0,2]=4 469 B10R1.15 CC(C=O)C1=CC=CC=C1 SY049214 [1,1,0,0,0,0|1,0,1]=4 470 B10R1.15 CCC(=O)C1=CC=CC=N1 SY005362 [1,1,0,0,0,0|1,0,1]=4 471 B10R1.15 CCC(N)C1=CC=CN=C1 SY014378 [1,1,0,0,0,0|1,0,0]=3 472 B10R1.15 CCC(N)C1=CC=CN=C1 SY023048 [1,1,0,0,0,0|1,0,0]=3 473 B10R1.15 CCC(N)C1=CC=NC=C1 SY011556 [1,1,0,0,0,0|1,0,0]=3 474 B10R1.15 CCC(N)C1=NC=CC=C1 SY014377 [1,1,0,0,0,0|1,0,0]=3 475 B10R1.15 CCC(O)C1=CC=CC=C1 SY020321 [1,1,0,0,0,0|0,0,0]=2 476 B10R1.15 CCN(C)C1=CC=CC=C1 SY032004 [1,1,0,0,0,0|1,0,0]=3 477 B10R1.15 CNC(=O)C1=CC=CC=C1 SY037937 [1,1,0,0,0,0|0,0,1]=3 478 B10R1.15 COS(=O)C1=CC=CC=C1 SY050665 [1,1,0,0,0,0|2,0,0]=4 479 B10R1.15 C[C@@H](CN)C1=CC=CC=C1 SY017826 [1,1,0,0,0,0|0,0,0]=2 480 B10R1.15 C[C@H](C=O)C1=CC=CC=C1 SY036236 [1,1,0,0,0,0|1,0,1]=4 481 B10R1.15 C[C@H](CO)C1=CC=CC=C1 SY036226 [1,1,0,0,0,0|1,0,0]=3 482 B10R1.15 NC(CF)C1=CC=CC=C1 SY045869 [1,1,0,0,0,0|1,0,0]=3 483 B10R1.15 NC(CO)C1=CC=CC=C1 SY002083 [1,1,0,0,0,0|1,0,0]=3 484 B10R1.15 NC(CO)C1=CC=CC=N1 SY007452 [1,1,0,0,0,0|2,0,0]=4 485 B10R1.15 NC(CO)C1=CC=NC=C1 SY007453 [1,1,0,0,0,0|2,0,0]=4 486 B10R1.15 NCC(=O)C1=CC=CC=C1 SY007242 [1,1,0,0,0,0|0,0,1]=3 487 B10R1.15 NCC(O)C1=CC=CC=C1 SY042533 [1,1,0,0,0,0|0,0,0]=2 488 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 SY013940 [1,1,0,0,0,0|0,0,0]=2 489 B10R1.15 NC[C@H](O)C1=CC=CC=C1 SY009089 [1,1,0,0,0,0|0,0,0]=2 490 B10R1.15 N[C@@H](CF)C1=CC=CC=C1 SY045870 [1,1,0,0,0,0|1,0,0]=3 491 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 SY003526 [1,1,0,0,0,0|1,0,0]=3 492 B10R1.15 N[C@H](CF)C1=CC=CC=C1 SY045868 [1,1,0,0,0,0|1,0,0]=3 493 B10R1.15 N[C@H](CO)C1=CC=CC=C1 SY001952 [1,1,0,0,0,0|1,0,0]=3 494 B10R1.15 O=C(CO)C1=CC=CC=C1 SY014756 [1,1,0,0,0,0|1,0,1]=4 495 B10R1.15 O=CC(Br)C1=CC=CC=C1 SY277929 [1,1,0,0,0,0|1,0,1]=4 496 B10R1.15 OC[C@@H](O)C1=CC=CC=C1 SY017542 [1,1,0,0,0,0|1,0,0]=3 497 B10R1.15 OC[C@H](O)C1=CC=CC=C1 SY017543 [1,1,0,0,0,0|1,0,0]=3 498 B10R1.15 O[C@@H](CCl)C1=CC=CC=C1 SY101214 [1,1,0,0,0,0|1,0,0]=3 499 B10R1.18 CC(=O)CC1=CC=NC=C1 SY002437 [1,1,0,0,0,0|1,0,1]=4 500 B10R1.18 CC(=O)CC1=CC=NC=C1 SY005221 [1,1,0,0,0,0|1,0,1]=4 501 B10R1.18 CC(=O)CC1=NC=CC=C1 SY002438 [1,1,0,0,0,0|1,0,1]=4 502 B10R1.18 CC(C)=CC1=CC=CC=C1 SY055240 [1,1,0,0,0,0|0,0,2]=4 503 B10R1.18 CC(C)CC1=CC=NC=C1 SY028398 [1,1,0,0,0,0|1,0,0]=3 504 B10R1.18 CC(O)CC1=CC=CC=C1 SY051093 [1,1,0,0,0,0|0,0,0]=2 505 B10R1.18 FC(F)CC1=CC=CC=C1 SY265774 [1,1,0,0,0,0|1,0,0]=3 506 B10R1.18 N=C(N)NC1=CC=CC=C1 SY059286 [1,1,0,0,0,0|1,0,1]=4 507 B10R1.18 NC(=O)CC1=CC=CC=C1 SY017094 [1,1,0,0,0,0|0,0,1]=3 508 B10R1.18 NC(=O)OC1=CC=CC=C1 SY109407 [1,1,0,0,0,0|1,0,1]=4 509 B10R1.21 CCCCCC1=CC=CS1 SY034123 [0,1,0,0,1,0|2,0,0]=4 510 B10R1.21 CCNCCN1C=CC=N1 SY024491 [0,1,0,0,1,0|2,0,0]=4 511 B10R1.21 CCNCCN1C=CN=C1 SY024490 [0,1,0,0,1,0|2,0,0]=4 512 B10R1.29 CCCCC1=C(Br)SC=C1 SY037112 [0,1,0,0,1,0|2,0,0]=4 513 B10R1.66 CN(C)CCC1=NC=CN1 SY262766 [0,1,0,0,1,0|2,0,0]=4 514 B10R1.66 CN(C)CCN1C=CC=N1 SY263617 [0,1,0,0,1,0|2,0,0]=4 515 B12R1.1 CC1=CC=C(OCCCN)C=C1 SY008304 [0,2,0,0,0,0|2,0,0]=4 516 B12R1.1 COCCOC1=CC=C(N)C=C1 SY046763 [0,2,0,0,0,0|1,0,0]=3 517 B12R1.1 N#CCCOC1=CC=C(Br)C=C1 SY031988 [0,2,0,0,0,0|2,0,0]=4 518 B12R1.1 N#CCCOC1=CC=C(Cl)C=C1 SY262858 [0,2,0,0,0,0|2,0,0]=4 519 B12R1.1 NCCCOC1=CC=C(Cl)C=C1 SY008298 [0,2,0,0,0,0|2,0,0]=4 520 B12R1.1 NCCCOC1=CC=C(F)C=C1 SY008292 [0,2,0,0,0,0|2,0,0]=4 521 B12R1.1 O=C=NCCC1=CC=C(Br)C=C1 SY248184 [0,2,0,0,0,0|0,0,2]=4 522 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 SY103943 [0,2,0,0,0,0|1,0,1]=4 523 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 SY018273 [0,2,0,0,0,0|1,0,1]=4 524 B12R1.16 CCC[C@@H](N)C1=CC=C(C)C=C1 SY232219 [0,2,0,0,0,0|1,0,0]=3 525 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 SY008896 [0,2,0,0,0,0|0,0,0]=2 526 B12R1.16 NC(CCO)C1=CC=C(Br)C=C1 SY015933 [0,2,0,0,0,0|2,0,0]=4 527 B12R1.16 NC(CCO)C1=CC=C(Cl)C=C1 SY015092 [0,2,0,0,0,0|2,0,0]=4 528 B12R1.16 NC(CCO)C1=CC=C(F)C=C1 SY015503 [0,2,0,0,0,0|2,0,0]=4 529 B12R1.16 N[C@@H](CCO)C1=CC=C(Cl)C=C1 SY015726 [0,2,0,0,0,0|2,0,0]=4 530 B12R1.21 CC(=O)CCC1=CC=C(C)C=C1 SY022010 [0,2,0,0,0,0|1,0,0]=3 531 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 SY004032 [0,2,0,0,0,0|1,0,0]=3 532 B12R1.21 CC(C)NCC1=CC=C(N)C=C1 SY003700 [0,2,0,0,0,0|2,0,0]=4 533 B12R1.21 CC1=CC=C(CCC(=O)O)C=C1 SY007830 [0,2,0,0,0,0|2,0,0]=4 534 B12R1.21 O=C(O)CCC1=CC=C(Br)C=C1 SY013641 [0,2,0,0,0,0|2,0,0]=4 535 B12R1.21 O=C(O)CCC1=CC=C(Cl)C=C1 SY003370 [0,2,0,0,0,0|2,0,0]=4 536 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 SY006122 [0,2,0,0,0,0|2,0,0]=4 537 B12R1.21 O=C(O)CCC1=CC=C(I)C=C1 SY016883 [0,2,0,0,0,0|2,0,0]=4 538 B12R1.21 O=[N+]([O-])CCC1=CC=C(F)C=C1 SY266526 [0,2,0,0,0,0|1,0,1]=4 539 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 SY021204 [0,2,0,0,0,0|1,0,1]=4 540 B12R1.49 COC(=O)CC1=CC=C(C)C=C1 SY052935 [0,2,0,0,0,0|1,0,1]=4 541 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 SY051360 [0,2,0,0,0,0|1,0,1]=4 542 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 SY041951 [0,2,0,0,0,0|1,0,1]=4 543 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 SY041745 [0,2,0,0,0,0|1,0,1]=4 544 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 SY100571 [0,2,0,0,0,0|1,0,1]=4 545 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 SY001844 [0,2,0,0,0,0|1,0,1]=4 546 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 SY022058 [0,2,0,0,0,0|2,0,0]=4 547 B12R1.49 NC(CO)CC1=CC=C(Cl)C=C1 SY107318 [0,2,0,0,0,0|2,0,0]=4 548 B12R1.49 N[C@@H](CO)CC1=CC=C(Cl)C=C1 SY285307 [0,2,0,0,0,0|2,0,0]=4 549 B12R1.49 N[C@H](CO)CC1=CC=C(Cl)C=C1 SY285313 [0,2,0,0,0,0|2,0,0]=4 550 B12R1.69 CCNCC1=CC=C(Cl)C=C1Cl SY002524 [0,2,0,0,0,0|2,0,0]=4 551 B12R1.71 C#CC1=CC=C(CCCC)C=C1 SY018460 [0,2,0,0,0,0|1,0,0]=3 552 B12R1.71 C=CCCC1=CC=C(OC)C=C1 SY046756 [0,2,0,0,0,0|1,0,1]=4 553 B12R1.71 CCCOC1=CC=C(C=O)C=C1 SY049847 [0,2,0,0,0,0|2,0,0]=4 554 B12R1.71 CCNCC1=CC=C(OC)C=C1 SY002623 [0,2,0,0,0,0|2,0,0]=4 555 B12R1.71 CCNCC1=CC=C(OC)C=C1 SY046062 [0,2,0,0,0,0|2,0,0]=4 556 B12R1.71 CNCCC1=CC=C(OC)C=C1 SY002518 [0,2,0,0,0,0|0,0,0]=2 557 B12R1.71 COC1=CC=C(CCCO)C=C1 SY101959 [0,2,0,0,0,0|2,0,0]=4 558 B12R1.385 CCNCC1=CC=C(C)C(C)=C1 SY006083 [0,2,0,0,0,0|2,0,0]=4 559 B12R1.385 CCNCC1=CC=C(O)C(O)=C1 SY025745 [0,2,0,0,0,0|2,0,0]=4 560 B12R1.17 OCCC(O)C1=CC=CC(Cl)=C1 SY265044 [0,2,0,0,0,0|2,0,0]=4 561 B12R1.17 OCC[C@H](O)C1=CC=CC(Cl)=C1 SY254038 [0,2,0,0,0,0|2,0,0]=4 562 B12R1.30 CCCCC(=O)C1=CC=CC=C1 SY013718 [0,2,0,0,0,0|1,0,0]=3 563 B12R1.30 CNCCC(O)C1=CC=CC=C1 SY050893 [0,2,0,0,0,0|0,0,0]=2 564 B12R1.34 CC(C(=O)NN)C1=CC=CC=C1 SY263061 [0,2,0,0,0,0|1,0,1]=4 565 B12R1.34 CCC(C)C(N)C1=CC=CC=C1 SY040748 [0,2,0,0,0,0|1,0,0]=3 566 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 SY113594 [0,2,0,0,0,0|1,0,1]=4 567 B12R1.34 COC(=O)[C@@H](O)C1=CC=CC=C1 SY003754 [0,2,0,0,0,0|1,0,1]=4 568 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 SY020988 [0,2,0,0,0,0|1,0,1]=4 569 B12R1.34 COC(=O)[C@H](O)C1=CC=CC=C1 SY003762 [0,2,0,0,0,0|1,0,1]=4 570 B12R1.34 NNC(=O)[C@H](O)C1=CC=CC=C1 SY017161 [0,2,0,0,0,0|1,0,1]=4 571 B12R1.34 OCC(Br)C(Br)C1=CC=CC=C1 SY037173 [0,2,0,0,0,0|2,0,0]=4 572 B12R1.39 C#CCC(C)(O)C1=CC=CC=C1 SY047143 [0,2,0,0,0,0|1,0,1]=4 573 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 SY011141 [0,2,0,0,0,0|1,0,1]=4 574 B12R1.107 CC(=O)NC(C)C1=CC=CC=C1 SY007036 [0,2,0,0,0,0|2,0,0]=4 575 B12R1.107 CC(C)CC(N)C1=CC=CN=C1 SY014559 [0,2,0,0,0,0|2,0,0]=4 576 B12R1.107 CC(C)CC(N)C1=CC=NC=C1 SY014558 [0,2,0,0,0,0|2,0,0]=4 577 B12R1.107 CC(C)CC(N)C1=NC=CC=C1 SY014557 [0,2,0,0,0,0|2,0,0]=4 578 B12R1.107 CC(CC(N)=O)C1=CC=CC=C1 SY249488 [0,2,0,0,0,0|2,0,0]=4 579 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 SY231348 [0,2,0,0,0,0|2,0,0]=4 580 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 SY226436 [0,2,0,0,0,0|2,0,0]=4 581 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 SY002485 [0,2,0,0,0,0|2,0,0]=4 582 B12R1.107 N[C@@H](CC(=O)O)C1=CC=CC=C1 SY017494 [0,2,0,0,0,0|2,0,0]=4 583 B12R1.107 N[C@H](CC(=O)O)C1=CC=CC=C1 SY014163 [0,2,0,0,0,0|2,0,0]=4 584 B12R1.107 O=C(O)CC(O)C1=CC=CC=C1 SY017555 [0,2,0,0,0,0|2,0,0]=4 585 B12R1.25 CCNCC1=CC=CC(F)=C1F SY014376 [0,2,0,0,0,0|2,0,0]=4 586 B12R1.125 CC1=CC=CC=C1CCC(=O)O SY017785 [0,2,0,0,0,0|2,0,0]=4 587 B12R1.125 O=C(O)CCC1=CC=CC=C1Br SY017169 [0,2,0,0,0,0|2,0,0]=4 588 B12R1.125 O=C(O)CCC1=CC=CC=C1Cl SY003324 [0,2,0,0,0,0|2,0,0]=4 589 B12R1.125 O=C(O)CCC1=CC=CC=C1F SY016160 [0,2,0,0,0,0|2,0,0]=4 590 B12R1.125 O=C(O)CCC1=CC=CC=C1I SY238889 [0,2,0,0,0,0|2,0,0]=4 591 B12R1.125 O=C(O)CCC1=CC=CC=C1O SY101015 [0,2,0,0,0,0|2,0,0]=4 592 B12R1.125 O=[N+]([O-])CCC1=CC=CC=C1Cl SY266525 [0,2,0,0,0,0|1,0,1]=4 593 B12R1.267 CC1=CC=CC=C1OCCC#N SY024182 [0,2,0,0,0,0|2,0,0]=4 594 B12R1.267 CC1=CC=CC=C1OCCCN SY008306 [0,2,0,0,0,0|2,0,0]=4 595 B12R1.267 CCNCCC1=CC=CC=C1F SY002938 [0,2,0,0,0,0|0,0,0]=2 596 B12R1.267 FC1=CC=CC=C1OCCCBr SY103929 [0,2,0,0,0,0|2,0,0]=4 597 B12R1.267 NCCCOC1=CC=CC=C1Cl SY008300 [0,2,0,0,0,0|2,0,0]=4 598 B12R1.267 NCCCOC1=CC=CC=C1F SY008294 [0,2,0,0,0,0|2,0,0]=4 599 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 SY032006 [0,2,0,0,0,0|1,0,1]=4 600 B12R1.371 COC(=O)CC1=CC=CC=C1Br SY023296 [0,2,0,0,0,0|1,0,1]=4 601 B12R1.371 COC(=O)CC1=CC=CC=C1C SY106492 [0,2,0,0,0,0|1,0,1]=4 602 B12R1.371 COC(=O)CC1=CC=CC=C1Cl SY021282 [0,2,0,0,0,0|1,0,1]=4 603 B12R1.371 COC(=O)CC1=CC=CC=C1F SY258978 [0,2,0,0,0,0|1,0,1]=4 604 B12R1.371 COC(=O)CC1=CC=CC=C1I SY311934 [0,2,0,0,0,0|1,0,1]=4 605 B12R1.374 CCNCC1=CC(Br)=CC=C1O SY018707 [0,2,0,0,0,0|2,0,0]=4 606 B12R1.374 CCNCC1=CC(Cl)=CC=C1O SY018709 [0,2,0,0,0,0|2,0,0]=4 607 B12R1.374 CCNCC1=CC(F)=CC=C1O SY018705 [0,2,0,0,0,0|2,0,0]=4 608 B12R1.374 COCOC1=CC(Br)=CC=C1F SY284152 [0,2,0,0,0,0|2,0,0]=4 609 B12R1.28 CC1=CC(OCCCN)=CC=C1 SY008305 [0,2,0,0,0,0|2,0,0]=4 610 B12R1.28 NCCCOC1=CC=CC(Cl)=C1 SY008299 [0,2,0,0,0,0|2,0,0]=4 611 B12R1.28 NCCCOC1=CC=CC(F)=C1 SY008293 [0,2,0,0,0,0|2,0,0]=4 612 B12R1.28 OCCCOC1=CC=CC(F)=C1 SY046394 [0,2,0,0,0,0|2,0,0]=4 613 B12R1.50 COC(=O)CC1=CC(Br)=CC=C1 SY004524 [0,2,0,0,0,0|1,0,1]=4 614 B12R1.50 COC(=O)CC1=CC=CC(Cl)=C1 SY053038 [0,2,0,0,0,0|1,0,1]=4 615 B12R1.50 COC(=O)CC1=CC=CC(F)=C1 SY051263 [0,2,0,0,0,0|1,0,1]=4 616 B12R1.50 COC(=O)CC1=CC=CC(N)=C1 SY005119 [0,2,0,0,0,0|1,0,1]=4 617 B12R1.50 COC(=O)CC1=CC=CC(O)=C1 SY023952 [0,2,0,0,0,0|1,0,1]=4 618 B12R1.100 CCCCC1=CC(O)=CC(O)=C1 SY266808 [0,2,0,0,0,0|1,0,0]=3 619 B12R1.100 COCOC1=CC(F)=CC(F)=C1 SY233664 [0,2,0,0,0,0|2,0,0]=4 620 B12R1.100 OCCCC1=CC(O)=CC(O)=C1 SY266810 [0,2,0,0,0,0|2,0,0]=4 621 B12R1.226 CC1=CC(CCC(=O)O)=CC=C1 SY062646 [0,2,0,0,0,0|2,0,0]=4 622 B12R1.226 NC(=O)CCC1=CC=CC(Br)=C1 SY032519 [0,2,0,0,0,0|2,0,0]=4 623 B12R1.226 NC1=CC(CCC(=O)O)=CC=C1 SY062293 [0,2,0,0,0,0|2,0,0]=4 624 B12R1.226 O=C(O)CCC1=CC(Br)=CC=C1 SY013761 [0,2,0,0,0,0|2,0,0]=4 625 B12R1.226 O=C(O)CCC1=CC=CC(Cl)=C1 SY017063 [0,2,0,0,0,0|2,0,0]=4 626 B12R1.226 O=C(O)CCC1=CC=CC(F)=C1 SY017727 [0,2,0,0,0,0|2,0,0]=4 627 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 SY022016 [0,2,0,0,0,0|2,0,0]=4 628 B12R1.226 O=[N+]([O-])CCC1=CC=CC(Cl)=C1 SY266524 [0,2,0,0,0,0|1,0,1]=4 629 B12R1.226 O=[N+]([O-])CCC1=CC=CC(F)=C1 SY266555 [0,2,0,0,0,0|1,0,1]=4 630 B12R1.382 CCNCC1=CC=CC(OC)=C1 SY045888 [0,2,0,0,0,0|2,0,0]=4 631 B12R1.382 COC1=CC(CCC=O)=CC=C1 SY019020 [0,2,0,0,0,0|2,0,0]=4 632 B12R1.382 COC1=CC(CCCO)=CC=C1 SY032554 [0,2,0,0,0,0|2,0,0]=4 633 B12R1.382 COCCC1=CC(CN)=CC=C1 SY025407 [0,2,0,0,0,0|1,0,0]=3 634 B12R1.8 BrCCCCOC1=CC=CC=C1 SY010804 [0,2,0,0,0,0|1,0,0]=3 635 B12R1.8 BrCCCOCC1=CC=CC=C1 SY013896 [0,2,0,0,0,0|1,0,0]=3 636 B12R1.8 C1=CC=C(COCCC=C)C=C1 SY246307 [0,2,0,0,0,0|1,0,1]=4 637 B12R1.8 C=CCCOCC1=CC=CC=C1 SY039729 [0,2,0,0,0,0|1,0,1]=4 638 B12R1.8 C=CCCSCC1=CC=CC=C1 SY312326 [0,2,0,0,0,0|1,0,1]=4 639 B12R1.8 NNCCCOC1=CC=CC=C1 SY048098 [0,2,0,0,0,0|1,0,0]=3 640 B12R1.8 NOCCCOC1=CC=CC=C1 SY281786 [0,2,0,0,0,0|2,0,0]=4 641 B12R1.8 NOCCCOC1=CC=CC=C1 SY281787 [0,2,0,0,0,0|2,0,0]=4 642 B12R1.8 NOCCOCC1=CC=CC=C1 SY281790 [0,2,0,0,0,0|2,0,0]=4 643 B12R1.8 NOCCOCC1=CC=CC=C1 SY281791 [0,2,0,0,0,0|2,0,0]=4 644 B12R1.8 OCCCNCC1=CC=CC=C1 SY004678 [0,2,0,0,0,0|1,0,0]=3 645 B12R1.8 OCCCOCC1=CC=CC=C1 SY015683 [0,2,0,0,0,0|1,0,0]=3 646 B12R1.27 CC(CO)OCC1=CC=CC=C1 SY030243 [0,2,0,0,0,0|2,0,0]=4 647 B12R1.27 COC(=O)CCC1=CC=CC=C1 SY017877 [0,2,0,0,0,0|1,0,0]=3 648 B12R1.27 COC(=O)CCC1=CC=NC=C1 SY022395 [0,2,0,0,0,0|2,0,0]=4 649 B12R1.27 COC(=O)CCC1=NC=CC=C1 SY022458 [0,2,0,0,0,0|2,0,0]=4 650 B12R1.27 COC(=O)COC1=CC=CC=C1 SY037886 [0,2,0,0,0,0|1,0,1]=4 651 B12R1.27 C[C@H](CO)NCC1=CC=CC=C1 SY123602 [0,2,0,0,0,0|2,0,0]=4 652 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY021003 [0,2,0,0,0,0|2,0,0]=4 653 B12R1.27 NCC(=O)OCC1=CC=CC=C1 SY038933 [0,2,0,0,0,0|2,0,0]=4 654 B12R1.27 NNC(=O)OCC1=CC=CC=C1 SY017007 [0,2,0,0,0,0|1,0,1]=4 655 B12R1.27 O=C(CBr)OCC1=CC=CC=C1 SY002918 [0,2,0,0,0,0|2,0,0]=4 656 B12R1.27 O=C(CO)OCC1=CC=CC=C1 SY115712 [0,2,0,0,0,0|2,0,0]=4 657 B12R1.27 O=C(NO)OCC1=CC=CC=C1 SY024162 [0,2,0,0,0,0|1,0,1]=4 658 B12R1.32 C#CCN(C)CC1=CC=CC=C1 SY005867 [0,2,0,0,0,0|1,0,1]=4 659 B12R1.32 CN(CCCl)CC1=CC=CC=C1 SY011648 [0,2,0,0,0,0|2,0,0]=4 660 B12R1.32 CN(CCO)CC1=CC=CC=C1 SY025492 [0,2,0,0,0,0|2,0,0]=4 661 B12R1.32 COCC(=O)OC1=CC=CC=C1 SY261726 [0,2,0,0,0,0|1,0,1]=4 662 B12R1.252 CC(=O)COCC1=CC=CC=C1 SY107427 [0,2,0,0,0,0|1,0,0]=3 663 B12R1.252 CC(O)COCC1=CC=CC=C1 SY115719 [0,2,0,0,0,0|1,0,0]=3 664 B12R1.252 C[C@@H](O)CNCC1=CC=CC=C1 SY046157 [0,2,0,0,0,0|1,0,0]=3 665 B12R1.252 C[C@@H](O)COCC1=CC=CC=C1 SY226247 [0,2,0,0,0,0|1,0,0]=3 666 B12R1.252 C[C@H](O)COCC1=CC=CC=C1 SY059957 [0,2,0,0,0,0|1,0,0]=3 667 B12R1.252 O=C(O)CCCC1=CC=CC=C1 SY004771 [0,2,0,0,0,0|1,0,1]=4 668 B12R1.252 O=C(O)CCNC1=CC=CC=C1 SY019790 [0,2,0,0,0,0|2,0,0]=4 669 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY003481 [0,2,0,0,0,0|2,0,0]=4 670 B12R1.252 O=C(O)CNCC1=CC=CC=C1 SY015802 [0,2,0,0,0,0|2,0,0]=4 671 B12R1.252 O=C(O)COCC1=CC=CC=C1 SY002087 [0,2,0,0,0,0|2,0,0]=4 672 B12R1.252 O=C([O-])CCCC1=CC=CC=C1 SY067225 [0,2,0,0,0,0|1,0,1]=4 673 B12R1.252 O=[N+]([O-])CCCC1=CC=CC=C1 SY266519 [0,2,0,0,0,0|1,0,1]=4 674 B12R1.43 CC(CC1=CC=CC=C1)C(=O)O SY185587 [0,2,0,0,0,0|2,0,0]=4 675 B12R1.43 CC(N)C(=O)CC1=CC=CC=C1 SY147169 [0,2,0,0,0,0|1,0,1]=4 676 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY009482 [0,2,0,0,0,0|2,0,0]=4 677 B12R1.43 NC(=O)[C@@H](N)CC1=CC=CC=C1 SY036427 [0,2,0,0,0,0|2,0,0]=4 678 B12R1.43 NC(=O)[C@H](N)CC1=CC=CC=C1 SY034084 [0,2,0,0,0,0|2,0,0]=4 679 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O SY001531 [0,2,0,0,0,0|2,0,0]=4 680 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O SY005120 [0,2,0,0,0,0|2,0,0]=4 681 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 SY103074 [0,2,0,0,0,0|2,0,0]=4 682 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 SY036063 [0,2,0,0,0,0|2,0,0]=4 683 B12R1.43 O=C(O)[C@@H](O)CC1=CC=CC=C1 SY020879 [0,2,0,0,0,0|2,0,0]=4 684 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 SY021341 [0,2,0,0,0,0|2,0,0]=4 685 B12R1.118 CN[C@H](CO)CC1=CC=CC=C1 SY033679 [0,2,0,0,0,0|0,0,0]=2 686 B12R1.118 N#CC(CO)CC1=CC=CC=C1 SY023620 [0,2,0,0,0,0|2,0,0]=4 687 B12R1.118 NCC(CO)CC1=CC=CC=C1 SY002578 [0,2,0,0,0,0|2,0,0]=4 688 B12R1.891 F[B-](F)(F)CCC1=CC=CC=C1 SY015466 [0,2,0,0,0,0|2,0,0]=4 689 B12R1.891 O=S(=O)(Cl)CCC1=CC=CC=C1 SY039026 [0,2,0,0,0,0|2,0,0]=4 690 B10R2.6 C1=CC(C2CC2)=CC=N1 SY275036 [1,0,0,1,0,0|1,0,0]=3 691 B10R2.6 C1=CC=C([C@@H]2CO2)C=C1 SY033347 [1,0,0,1,0,0|1,0,0]=3 692 B10R2.6 C1=CC=C([C@H]2CO2)C=C1 SY032955 [1,0,0,1,0,0|1,0,0]=3 693 B10R2.7 C1=CC2=C(C=C1)CNC2 SY006502 [1,0,0,1,0,0|0,0,0]=2 694 B10R2.7 C1=CC2=C(C=C1)NCC2 SY012760 [1,0,0,1,0,0|0,0,0]=2 695 B10R2.7 C1=CC2=C(C=C1)NN=C2 SY001125 [1,0,0,1,0,0|1,0,1]=4 696 B10R2.7 C1=CC2=C(C=C1)OCC2 SY003884 [1,0,0,1,0,0|1,0,0]=3 697 B10R2.7 C1=CC2=C(C=N1)CNC2 SY016749 [1,0,0,1,0,0|1,0,0]=3 698 B10R2.7 C1=CC2=C(N=C1)NCC2 SY005307 [1,0,0,1,0,0|1,0,0]=3 699 B10R2.7 C1=CC=C2CNCC2=C1 SY006104 [1,0,0,1,0,0|0,0,0]=2 700 B10R2.7 C1=CC=C2CSCC2=C1 SY143431 [1,0,0,1,0,0|1,0,0]=3 701 B10R2.7 C1=CC=C2NC=NC2=C1 SY012765 [1,0,0,1,0,0|1,0,1]=4 702 B10R2.7 C1=CN=C2CCCC2=C1 SY005163 [1,0,0,1,0,0|1,0,0]=3 703 B10R2.7 C1=CN=C2CCNC2=C1 SY253170 [1,0,0,1,0,0|1,0,0]=3 704 B10R2.7 C1=CN=C2CCOC2=C1 SY285018 [1,0,0,1,0,0|2,0,0]=4 705 B10R2.7 C1=CN=C2CNCC2=C1 SY002978 [1,0,0,1,0,0|1,0,0]=3 706 B10R2.7 C1=CN=C2CNCC2=C1 SY005549 [1,0,0,1,0,0|1,0,0]=3 707 B10R2.7 C1=CN=C2CNCC2=N1 SY018653 [1,0,0,1,0,0|2,0,0]=4 708 B10R2.7 C1=CN=C2CNCC2=N1 SY031903 [1,0,0,1,0,0|2,0,0]=4 709 B10R2.7 C1=NC=C2CNCC2=C1 SY006966 [1,0,0,1,0,0|1,0,0]=3 710 B10R2.7 C1=NC=C2CNCC2=N1 SY006962 [1,0,0,1,0,0|2,0,0]=4 711 B10R2.7 C1=NC=C2CNCC2=N1 SY018652 [1,0,0,1,0,0|2,0,0]=4 712 B10R2.7 C1=NN=C2NCCC2=C1 SY294612 [1,0,0,1,0,0|2,0,0]=4 713 B10R2.320 O=C1CC2=CC=CC=C12 SY031738 [1,0,0,1,0,0|1,0,1]=4 714 B10R2.136 C1=CN(C2CNC2)C=N1 SY045523 [0,0,0,1,1,0|2,0,0]=4 715 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 SY111062 [0,1,0,1,0,0|1,0,0]=3 716 B12R2.24 BrC1=CC2=C(C=C1)CCCN2 SY018944 [0,1,0,1,0,0|2,0,0]=4 717 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 SY024781 [0,1,0,1,0,0|0,0,0]=2 718 B12R2.24 BrC1=CC2=C(C=C1)CCNC2 SY041934 [0,1,0,1,0,0|0,0,0]=2 719 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 SY009647 [0,1,0,1,0,0|0,0,0]=2 720 B12R2.24 BrC1=CC2=C(C=C1)CNCC2 SY025399 [0,1,0,1,0,0|0,0,0]=2 721 B12R2.24 BrC1=CC2=C(C=C1)COCC2 SY101936 [0,1,0,1,0,0|1,0,0]=3 722 B12R2.24 BrC1=CC2=C(C=C1)NCCC2 SY104483 [0,1,0,1,0,0|2,0,0]=4 723 B12R2.24 BrC1=CC2=C(C=N1)CCCC2 SY263581 [0,1,0,1,0,0|2,0,0]=4 724 B12R2.24 BrC1=CC2=C(CCCC2)N=C1 SY260113 [0,1,0,1,0,0|2,0,0]=4 725 B12R2.24 BrC1=CC=C2CCOCC2=C1 SY116644 [0,1,0,1,0,0|1,0,0]=3 726 B12R2.24 BrC1=CC=C2OCCCC2=C1 SY101625 [0,1,0,1,0,0|2,0,0]=4 727 B12R2.24 BrC1CCC2=C(C=CC=C2)C1 SY297477 [0,1,0,1,0,0|1,0,0]=3 728 B12R2.24 CC1CCC2=C(C=CC=C2)N1 SY045570 [0,1,0,1,0,0|1,0,0]=3 729 B12R2.24 ClC1=CC2=C(C=C1)CCCN2 SY118852 [0,1,0,1,0,0|2,0,0]=4 730 B12R2.24 ClC1=CC2=C(C=C1)CNCC2 SY041607 [0,1,0,1,0,0|0,0,0]=2 731 B12R2.24 ClC1=CC2=C(C=N1)CCCC2 SY242820 [0,1,0,1,0,0|2,0,0]=4 732 B12R2.24 ClC1=CC2=C(C=N1)CCNC2 SY290654 [0,1,0,1,0,0|1,0,0]=3 733 B12R2.24 ClC1=CC=C2CNCCC2=N1 SY006960 [0,1,0,1,0,0|1,0,0]=3 734 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 SY020888 [0,1,0,1,0,0|1,0,0]=3 735 B12R2.24 ClC1=NC=C2CNCCC2=C1 SY246166 [0,1,0,1,0,0|1,0,0]=3 736 B12R2.24 ClC1=NC=C2CNCCC2=C1 SY246678 [0,1,0,1,0,0|1,0,0]=3 737 B12R2.24 FC1=CC2=C(C=C1)CNCC2 SY261787 [0,1,0,1,0,0|0,0,0]=2 738 B12R2.24 FC1=CC2=C(C=C1)NCCC2 SY102541 [0,1,0,1,0,0|2,0,0]=4 739 B12R2.24 NC1=CC2=C(C=C1)CCCN2 SY110739 [0,1,0,1,0,0|2,0,0]=4 740 B12R2.24 NC1=CC2=C(CCCC2)N=C1 SY105038 [0,1,0,1,0,0|2,0,0]=4 741 B12R2.24 NC1=CC=C2CCCCC2=C1 SY102107 [0,1,0,1,0,0|1,0,0]=3 742 B12R2.24 NC1=CC=C2CCNCC2=C1 SY005853 [0,1,0,1,0,0|0,0,0]=2 743 B12R2.24 NC1CCC2=C(C=CC=C2)C1 SY031850 [0,1,0,1,0,0|1,0,0]=3 744 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 SY118721 [0,1,0,1,0,0|1,0,0]=3 745 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 SY021954 [0,1,0,1,0,0|2,0,0]=4 746 B12R2.24 O=C1C=C2CCNCC2=CN1 SY267197 [0,1,0,1,0,0|1,0,0]=3 747 B12R2.24 O=C1CC2=C(C=CC=C2)CO1 SY036247 [0,1,0,1,0,0|1,0,1]=4 748 B12R2.24 O=C1CNC2=C(C=CC=C2)C1 SY292612 [0,1,0,1,0,0|2,0,0]=4 749 B12R2.24 O=C1CSC2=C(C=CC=C2)C1 SY033162 [0,1,0,1,0,0|2,0,0]=4 750 B12R2.24 OC1=CC2=C(C=C1)CCCN2 SY021160 [0,1,0,1,0,0|2,0,0]=4 751 B12R2.24 OC1=CC2=C(C=C1)CNCC2 SY003117 [0,1,0,1,0,0|0,0,0]=2 752 B12R2.24 OC1=CC2=C(C=C1)NCCC2 SY021158 [0,1,0,1,0,0|2,0,0]=4 753 B12R2.24 OC1CC2=C(C=CC=C2)CO1 SY293993 [0,1,0,1,0,0|1,0,0]=3 754 B12R2.24 OC1CCC2=C(C=CC=C2)C1 SY056861 [0,1,0,1,0,0|1,0,0]=3 755 B12R2.79 NC1CC1C2=CC=C(Br)C=C2 SY047274 [0,1,0,1,0,0|2,0,0]=4 756 B12R2.79 NC1CC1C2=CC=C(F)C=C2 SY044993 [0,1,0,1,0,0|2,0,0]=4 757 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 SY045000 [0,1,0,1,0,0|2,0,0]=4 758 B12R2.79 N[C@H]1C[C@@H]1C2=CC=C(F)C=C2 SY045001 [0,1,0,1,0,0|2,0,0]=4 759 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 SY019194 [0,1,0,1,0,0|2,0,0]=4 760 B12R2.132 CN1C=CC2=C1C=C(N)C=C2 SY006491 [0,1,0,1,0,0|0,0,2]=4 761 B12R2.132 CN1C=NC2=CC=C(N)C=C21 SY104268 [0,1,0,1,0,0|1,0,1]=4 762 B12R2.132 CN1N=CC2=C1C=C(Br)C=C2 SY003893 [0,1,0,1,0,0|1,0,1]=4 763 B12R2.132 CN1N=CC2=C1C=C(N)C=C2 SY045861 [0,1,0,1,0,0|1,0,1]=4 764 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 SY007083 [0,1,0,1,0,0|2,0,0]=4 765 B12R2.132 O=C1CCC2=C1C=C(Cl)C=C2 SY021488 [0,1,0,1,0,0|2,0,0]=4 766 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 SY047079 [0,1,0,1,0,0|2,0,0]=4 767 B12R2.132 O=C1CCC2=CC=C(F)C=C12 SY010637 [0,1,0,1,0,0|2,0,0]=4 768 B12R2.132 OC1CCC2=C1C=C(Br)C=C2 SY115499 [0,1,0,1,0,0|2,0,0]=4 769 B12R2.2302 BrC1=CC=C(C2CCN2)C=C1 SY197341 [0,1,0,1,0,0|2,0,0]=4 770 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 SY019231 [0,1,0,1,0,0|0,0,0]=2 771 B12R2.2302 BrC1=CC=C(C2CNC2)C=C1 SY245483 [0,1,0,1,0,0|0,0,0]=2 772 B12R2.2302 BrC1=CC=C(N2CCC2)C=C1 SY294264 [0,1,0,1,0,0|2,0,0]=4 773 B12R2.2302 CC1=CC=C(C2CNC2)C=C1 SY267182 [0,1,0,1,0,0|0,0,0]=2 774 B12R2.2302 CC1=CC=C(C2CNC2)C=C1 SY267183 [0,1,0,1,0,0|0,0,0]=2 775 B12R2.2302 CC1=CN=C(C2CNC2)C=C1 SY267595 [0,1,0,1,0,0|1,0,0]=3 776 B12R2.2302 CC1=CN=C(C2CNC2)C=C1 SY267596 [0,1,0,1,0,0|1,0,0]=3 777 B12R2.2302 CC1=NC=C(C2CNC2)C=C1 SY267550 [0,1,0,1,0,0|1,0,0]=3 778 B12R2.2302 CC1=NC=C(C2CNC2)C=C1 SY267551 [0,1,0,1,0,0|1,0,0]=3 779 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 SY258053 [0,1,0,1,0,0|0,0,0]=2 780 B12R2.2302 ClC1=CC=C(C2CNC2)C=C1 SY267181 [0,1,0,1,0,0|0,0,0]=2 781 B12R2.2302 FC1=CC=C(C2CNC2)C=C1 SY139771 [0,1,0,1,0,0|0,0,0]=2 782 B12R2.2302 FC1=CN=C(C2CNC2)C=C1 SY267601 [0,1,0,1,0,0|1,0,0]=3 783 B12R2.2302 FC1=CN=C(C2CNC2)C=C1 SY267602 [0,1,0,1,0,0|1,0,0]=3 784 B12R2.2302 FC1=CN=C(C2CNC2)N=C1 SY253137 [0,1,0,1,0,0|2,0,0]=4 785 B12R2.2302 IC1=CC=C(N2CCC2)C=C1 SY302245 [0,1,0,1,0,0|2,0,0]=4 786 B12R2.2 C1=CC(C2CCCN2)=CC=N1 SY005586 [0,1,0,1,0,0|2,0,0]=4 787 B12R2.2 C1=CC(N2CCCC2)=CC=N1 SY005200 [0,1,0,1,0,0|2,0,0]=4 788 B12R2.2 C1=CC=C(C2CCCN2)C=C1 SY063719 [0,1,0,1,0,0|1,0,0]=3 789 B12R2.2 C1=CC=C(C2CCNC2)C=C1 SY023454 [0,1,0,1,0,0|0,0,0]=2 790 B12R2.2 C1=CC=C([C@@H]2CCCN2)C=C1 SY060796 [0,1,0,1,0,0|1,0,0]=3 791 B12R2.2 C1=CC=C([C@@H]2CCON2)C=C1 SY247998 [0,1,0,1,0,0|2,0,0]=4 792 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY023849 [0,1,0,1,0,0|0,0,0]=2 793 B12R2.2 C1=CC=C([C@H]2CCNC2)C=C1 SY245835 [0,1,0,1,0,0|0,0,0]=2 794 B12R2.2 C1=CN=CC(C2CCCN2)=C1 SY023448 [0,1,0,1,0,0|2,0,0]=4 795 B12R2.22 O=C1CC(C2=CC=CC=C2)C1 SY029843 [0,1,0,1,0,0|1,0,0]=3 796 B12R2.27 CNC1CC1C2=CC=CC=C2 SY262087 [0,1,0,1,0,0|0,0,0]=2 797 B12R2.116 CC1(C2=NC=CC=C2)CNC1 SY291104 [0,1,0,1,0,0|1,0,0]=3 798 B12R2.116 NC1(C2=CC=CC=C2)CCC1 SY006040 [0,1,0,1,0,0|1,0,0]=3 799 B12R2.116 NC1(C2=CC=CC=C2)CCC1 SY007956 [0,1,0,1,0,0|1,0,0]=3 800 B12R2.116 OC1(C2=NC=CC=C2)CNC1 SY237894 [0,1,0,1,0,0|1,0,0]=3 801 B12R2.1081 BrC1=CC=CC2=C1CCCN2 SY097814 [0,1,0,1,0,0|2,0,0]=4 802 B12R2.1081 BrC1=CC=CC2=C1CCCO2 SY121094 [0,1,0,1,0,0|2,0,0]=4 803 B12R2.1081 BrC1=CC=CC2=C1CCNC2 SY021156 [0,1,0,1,0,0|0,0,0]=2 804 B12R2.1081 BrC1=CC=CC2=C1CCNC2 SY041598 [0,1,0,1,0,0|0,0,0]=2 805 B12R2.1081 BrC1=CC=CC2=C1CNCC2 SY021179 [0,1,0,1,0,0|0,0,0]=2 806 B12R2.1081 BrC1=CC=CC2=C1CNCC2 SY041614 [0,1,0,1,0,0|0,0,0]=2 807 B12R2.1081 CC1=CC=CC2=C1NCCC2 SY081306 [0,1,0,1,0,0|2,0,0]=4 808 B12R2.1081 CC1NCCC2=C1C=CC=C2 SY027949 [0,1,0,1,0,0|0,0,0]=2 809 B12R2.1081 CN1CCNC2=C1C=CC=C2 SY022100 [0,1,0,1,0,0|0,0,0]=2 810 B12R2.1081 ClC1=C2CCNCC2=NC=N1 SY037516 [0,1,0,1,0,0|2,0,0]=4 811 B12R2.1081 ClC1=CC=CC2=C1CNCC2 SY041616 [0,1,0,1,0,0|0,0,0]=2 812 B12R2.1081 ClC1=CC=CC2=C1NCCC2 SY183818 [0,1,0,1,0,0|2,0,0]=4 813 B12R2.1081 NC1=CC=CC2=C1CCNC2 SY116736 [0,1,0,1,0,0|0,0,0]=2 814 B12R2.1081 NC1CCCC2=C1C=CC=C2 SY004141 [0,1,0,1,0,0|1,0,0]=3 815 B12R2.1081 NC1CCCC2=C1C=CC=N2 SY111274 [0,1,0,1,0,0|2,0,0]=4 816 B12R2.1081 NC1CCCC2=C1N=CC=C2 SY006173 [0,1,0,1,0,0|2,0,0]=4 817 B12R2.1081 NC1CCOC2=C1C=CC=C2 SY009356 [0,1,0,1,0,0|2,0,0]=4 818 B12R2.1081 N[C@@H]1CCCC2=C1C=CC=C2 SY045443 [0,1,0,1,0,0|1,0,0]=3 819 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 SY030240 [0,1,0,1,0,0|2,0,0]=4 820 B12R2.1081 N[C@@H]1CCOC2=C1C=CC=C2 SY239976 [0,1,0,1,0,0|2,0,0]=4 821 B12R2.1081 N[C@H]1CCCC2=C1C=CC=C2 SY001972 [0,1,0,1,0,0|1,0,0]=3 822 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 SY020601 [0,1,0,1,0,0|2,0,0]=4 823 B12R2.1081 O=C1CCCC2=C1C=CC=C2 SY001538 [0,1,0,1,0,0|1,0,1]=4 824 B12R2.1081 O=C1CCNC2=C1C=CC=C2 SY029732 [0,1,0,1,0,0|2,0,0]=4 825 B12R2.1081 O=C1CCOC2=C1C=CC=C2 SY003783 [0,1,0,1,0,0|2,0,0]=4 826 B12R2.1081 O=C1COCC2=C1C=CC=C2 SY030590 [0,1,0,1,0,0|1,0,1]=4 827 B12R2.1081 O=C1NC=CC2=C1CCNC2 SY274503 [0,1,0,1,0,0|1,0,0]=3 828 B12R2.1081 O=C1NCCC2=C1C=CC=C2 SY021304 [0,1,0,1,0,0|0,0,1]=3 829 B12R2.1081 O=C1OCCC2=C1C=CC=C2 SY031574 [0,1,0,1,0,0|1,0,1]=4 830 B12R2.1081 OC1=C2CCCCC2=CC=C1 SY049625 [0,1,0,1,0,0|1,0,0]=3 831 B12R2.1081 OC1=C2NCCCC2=CC=C1 SY010056 [0,1,0,1,0,0|2,0,0]=4 832 B12R2.1081 OC1CCCC2=C1N=CC=C2 SY004995 [0,1,0,1,0,0|2,0,0]=4 833 B12R2.1081 OC1CCCC2=C1N=CC=C2 SY006174 [0,1,0,1,0,0|2,0,0]=4 834 B12R2.1081 OC1CCCC2=CC=CC=C21 SY009329 [0,1,0,1,0,0|1,0,0]=3 835 B12R2.1081 OC1CCOC2=C1C=CC=C2 SY027475 [0,1,0,1,0,0|2,0,0]=4 836 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 SY104799 [0,1,0,1,0,0|1,0,0]=3 837 B12R2.2028 CN1N=C(I)C2=C1C=CC=C2 SY037066 [0,1,0,1,0,0|1,0,1]=4 838 B12R2.2028 O=C1CC(Br)C2=C1C=CC=C2 SY031995 [0,1,0,1,0,0|2,0,0]=4 839 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 SY030000 [0,1,0,1,0,0|1,0,0]=3 840 B12R2.2075 NC(C1=CC=CC=C1)C2CC2 SY042927 [0,1,0,1,0,0|1,0,0]=3 841 B12R2.2075 NC(C1=CC=CC=N1)C2CC2 SY263126 [0,1,0,1,0,0|2,0,0]=4 842 B12R2.2075 NC(C1=CC=NC=C1)C2CC2 SY014561 [0,1,0,1,0,0|2,0,0]=4 843 B12R2.2075 NC(C1=CN=CC=C1)C2CC2 SY014562 [0,1,0,1,0,0|2,0,0]=4 844 B12R2.2075 NC(C1=NC=CC=C1)C2CC2 SY014560 [0,1,0,1,0,0|2,0,0]=4 845 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 SY049565 [0,1,0,1,0,0|1,0,1]=4 846 B12R2.2075 OC(C1=CC=CN=C1)C2CC2 SY017195 [0,1,0,1,0,0|2,0,0]=4 847 B12R2.2075 OC(C1=CC=NC=C1)C2CC2 SY038709 [0,1,0,1,0,0|2,0,0]=4 848 B12R2.32 OCC1CC2=CC=CC=C2O1 SY045474 [0,1,0,1,0,0|2,0,0]=4 849 B12R2.32 OC[C@@H]1CC2=C(C=CC=C2)N1 SY038508 [0,1,0,1,0,0|2,0,0]=4 850 B12R2.196 CC1=CC=CC2=C1CCC2=O SY023823 [0,1,0,1,0,0|2,0,0]=4 851 B12R2.196 CN1C=NC2=C(Br)C=CC=C21 SY113269 [0,1,0,1,0,0|1,0,1]=4 852 B12R2.196 CN1CCC2=C1C=CC=C2N SY142604 [0,1,0,1,0,0|0,0,0]=2 853 B12R2.196 CN1N=CC2=C1C=CC=C2Br SY024576 [0,1,0,1,0,0|1,0,1]=4 854 B12R2.196 CN1N=CC2=C1C=CC=C2N SY065470 [0,1,0,1,0,0|1,0,1]=4 855 B12R2.196 O=C1CCC2=C(Br)C=CC=C12 SY017585 [0,1,0,1,0,0|2,0,0]=4 856 B12R2.196 O=C1CCC2=C1C=CC=C2Cl SY041548 [0,1,0,1,0,0|2,0,0]=4 857 B12R2.196 O=C1CCC2=C1C=CC=C2F SY101474 [0,1,0,1,0,0|2,0,0]=4 858 B12R2.196 O=C1CCC2=C1C=CC=C2O SY020876 [0,1,0,1,0,0|2,0,0]=4 859 B12R2.225 BrC1=CC=CC=C1CC2CC2 SY278417 [0,1,0,1,0,0|1,0,0]=3 860 B12R2.225 NC1=CC=CC=C1OC2CC2 SY277587 [0,1,0,1,0,0|2,0,0]=4 861 B12R2.517 CC1=C(C2CNC2)C=NC=C1 SY267567 [0,1,0,1,0,0|1,0,0]=3 862 B12R2.517 CC1=C(C2CNC2)C=NC=C1 SY267568 [0,1,0,1,0,0|1,0,0]=3 863 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267184 [0,1,0,1,0,0|0,0,0]=2 864 B12R2.517 CC1=CC=CC=C1C2CNC2 SY267185 [0,1,0,1,0,0|0,0,0]=2 865 B12R2.517 CC1=CC=CN=C1C2CNC2 SY267603 [0,1,0,1,0,0|1,0,0]=3 866 B12R2.517 CC1=CC=CN=C1C2CNC2 SY267604 [0,1,0,1,0,0|1,0,0]=3 867 B12R2.517 CC1=NC=CC=C1C2CNC2 SY267558 [0,1,0,1,0,0|1,0,0]=3 868 B12R2.517 CC1=NC=CC=C1C2CNC2 SY267559 [0,1,0,1,0,0|1,0,0]=3 869 B12R2.517 FC1=CC=CC=C1C2CNC2 SY267201 [0,1,0,1,0,0|0,0,0]=2 870 B12R2.517 FC1=CC=CC=C1C2CNC2 SY267202 [0,1,0,1,0,0|0,0,0]=2 871 B12R2.80 N[C@@H]1C[C@H]1C2=CC=CC(Cl)=C2 SY122639 [0,1,0,1,0,0|2,0,0]=4 872 B12R2.203 CC1=CC=CC2=C1C(=O)CC2 SY116573 [0,1,0,1,0,0|2,0,0]=4 873 B12R2.203 CN1C=NC2=CC=CC(N)=C21 SY023500 [0,1,0,1,0,0|1,0,1]=4 874 B12R2.203 NC1CCC2=C1C(Br)=CC=C2 SY244736 [0,1,0,1,0,0|2,0,0]=4 875 B12R2.203 NC1CCC2=C1C(F)=CC=C2 SY265846 [0,1,0,1,0,0|2,0,0]=4 876 B12R2.203 NC1CCC2=C1C(O)=CC=C2 SY263192 [0,1,0,1,0,0|2,0,0]=4 877 B12R2.203 O=C1CCC2=C1C(Br)=CC=C2 SY035082 [0,1,0,1,0,0|2,0,0]=4 878 B12R2.203 O=C1CCC2=C1C(Cl)=CC=C2 SY041547 [0,1,0,1,0,0|2,0,0]=4 879 B12R2.203 O=C1CCC2=C1C(F)=CC=C2 SY021872 [0,1,0,1,0,0|2,0,0]=4 880 B12R2.203 O=C1CCC2=C1C(O)=CC=C2 SY008240 [0,1,0,1,0,0|2,0,0]=4 881 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 SY107054 [0,1,0,1,0,0|2,0,0]=4 882 B12R2.612 CN1C=CC2=C1C=CC(Br)=C2 SY104081 [0,1,0,1,0,0|0,0,2]=4 883 B12R2.612 CN1C=CC2=C1C=CC(N)=C2 SY063835 [0,1,0,1,0,0|0,0,2]=4 884 B12R2.612 CN1C=NC2=CC(Br)=CC=C21 SY026519 [0,1,0,1,0,0|1,0,1]=4 885 B12R2.612 CN1N=CC2=C1C=CC(Br)=C2 SY025291 [0,1,0,1,0,0|1,0,1]=4 886 B12R2.612 CN1N=CC2=CC(N)=CC=C21 SY006183 [0,1,0,1,0,0|1,0,1]=4 887 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 SY047054 [0,1,0,1,0,0|2,0,0]=4 888 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 SY249642 [0,1,0,1,0,0|2,0,0]=4 889 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 SY001016 [0,1,0,1,0,0|2,0,0]=4 890 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 SY004428 [0,1,0,1,0,0|2,0,0]=4 891 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 SY002061 [0,1,0,1,0,0|2,0,0]=4 892 B12R2.612 O=C1CCC2=CC(F)=CC=C12 SY017170 [0,1,0,1,0,0|2,0,0]=4 893 B12R2.612 O[C@@H]1CCC2=C1C=CC(Br)=C2 SY123884 [0,1,0,1,0,0|2,0,0]=4 894 B12R2.612 O[C@H]1CCC2=C1C=CC(Br)=C2 SY258330 [0,1,0,1,0,0|2,0,0]=4 895 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 SY234047 [0,1,0,1,0,0|0,0,0]=2 896 B12R2.2313 BrC1=CC(C2CNC2)=CC=C1 SY267493 [0,1,0,1,0,0|0,0,0]=2 897 B12R2.2313 CC1=CC(C2CNC2)=CC=C1 SY267221 [0,1,0,1,0,0|0,0,0]=2 898 B12R2.2313 CC1=CC(C2CNC2)=CC=C1 SY267222 [0,1,0,1,0,0|0,0,0]=2 899 B12R2.2313 CC1=CC(C2CNC2)=NC=C1 SY267597 [0,1,0,1,0,0|1,0,0]=3 900 B12R2.2313 CC1=CC(C2CNC2)=NC=C1 SY267598 [0,1,0,1,0,0|1,0,0]=3 901 B12R2.2313 CC1=CN=CC(C2CNC2)=C1 SY267569 [0,1,0,1,0,0|1,0,0]=3 902 B12R2.2313 CC1=CN=CC(C2CNC2)=C1 SY267570 [0,1,0,1,0,0|1,0,0]=3 903 B12R2.2313 CC1=NC(C2CNC2)=CC=C1 SY267599 [0,1,0,1,0,0|1,0,0]=3 904 B12R2.2313 CC1=NC(C2CNC2)=CC=C1 SY267600 [0,1,0,1,0,0|1,0,0]=3 905 B12R2.2313 CC1=NC=CC(C2CNC2)=C1 SY267593 [0,1,0,1,0,0|1,0,0]=3 906 B12R2.2313 CC1=NC=CC(C2CNC2)=C1 SY267594 [0,1,0,1,0,0|1,0,0]=3 907 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 SY139836 [0,1,0,1,0,0|0,0,0]=2 908 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 SY267172 [0,1,0,1,0,0|0,0,0]=2 909 B12R2.2313 FC1=CN=CC(C2CNC2)=C1 SY267556 [0,1,0,1,0,0|1,0,0]=3 910 B12R2.2313 FC1=CN=CC(C2CNC2)=C1 SY267557 [0,1,0,1,0,0|1,0,0]=3 911 B12R2.2313 NC1=CC=CC(N2CCC2)=C1 SY270546 [0,1,0,1,0,0|2,0,0]=4 912 B12R2.1 NCC1CNC2=C1C=CC=C2 SY022297 [0,1,0,1,0,0|2,0,0]=4 913 B12R2.1 NCC1CNC2=C1C=CC=C2 SY022653 [0,1,0,1,0,0|2,0,0]=4 914 B12R2.1 OCC1CCC2=C1C=CC=C2 SY030168 [0,1,0,1,0,0|1,0,0]=3 915 B12R2.1 OCN1N=NC2=CC=CC=C21 SY024115 [0,1,0,1,0,0|2,0,0]=4 916 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 SY028834 [0,1,0,1,0,0|2,0,0]=4 917 B12R2.2057 C1=CC=C(CNC2CC2)C=C1 SY023290 [0,1,0,1,0,0|1,0,0]=3 918 B12R2.2057 C1=CC=C(OCC2CO2)C=C1 SY246293 [0,1,0,1,0,0|1,0,0]=3 919 B12R2.2057 C1=CN=CC(CNC2CC2)=C1 SY028835 [0,1,0,1,0,0|2,0,0]=4 920 B12R2.18 CC1=CC2=C(C=CC=C2)N1C SY004658 [0,1,0,1,0,0|0,0,2]=4 921 B12R2.18 CC1CC2=C(C=CC=C2)C1=O SY081370 [0,1,0,1,0,0|2,0,0]=4 922 B12R2.18 CN1C(=O)CC2=C1C=CC=C2 SY042826 [0,1,0,1,0,0|0,0,1]=3 923 B12R2.18 CN1C(=O)NC2=CC=CC=C21 SY045893 [0,1,0,1,0,0|1,0,1]=4 924 B12R2.18 CN1C(Br)=CC2=C1C=CC=C2 SY247582 [0,1,0,1,0,0|0,0,2]=4 925 B12R2.18 NC1C2=CC=CC=C2CC1O SY003676 [0,1,0,1,0,0|2,0,0]=4 926 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@@H]1O SY007785 [0,1,0,1,0,0|2,0,0]=4 927 B12R2.18 N[C@@H]1C2=C(C=CC=C2)C[C@H]1O SY007747 [0,1,0,1,0,0|2,0,0]=4 928 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@@H]1O SY007896 [0,1,0,1,0,0|2,0,0]=4 929 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY009651 [0,1,0,1,0,0|2,0,0]=4 930 B12R2.18 N[C@H]1C2=C(C=CC=C2)C[C@H]1O SY279293 [0,1,0,1,0,0|2,0,0]=4 931 B12R2.18 O[C@@H]1C2=C(C=CC=C2)C[C@H]1Br SY015553 [0,1,0,1,0,0|2,0,0]=4 932 B12R2.92 ClC1(Cl)CC1C2=CC=CC=C2 SY002735 [0,1,0,1,0,0|2,0,0]=4 933 B12R2.92 FC1(F)CC1C2=CC=CC=C2 SY295850 [0,1,0,1,0,0|2,0,0]=4 934 B12R2.2403 CC1(C)OCC2=C1C=CC=C2 SY275437 [0,1,0,1,0,0|2,0,0]=4 935 B12R2.2403 CC1(C)SCC2=CC=CC=C21 SY275438 [0,1,0,1,0,0|2,0,0]=4 936 B12R2.2403 CC1(O)COC2=CC=CC=C21 SY308287 [0,1,0,1,0,0|2,0,0]=4 937 B12R2.3190 O=C(O)C1CC2=CC=CC=C21 SY185508 [0,1,0,1,0,0|2,0,0]=4 938 B12R3.12 C1=CC2=C(C=C1)C3OC3C2 SY272668 [0,0,0,2,0,0|1,0,0]=3 939 B8R1.8 CCCC1=NC=CN1 SY021502 [1,0,0,0,1,0|2,0,0]=4 940 B8R1.8 CCCC1=NNC=C1 SY147130 [1,0,0,0,1,0|2,0,0]=4 941 B8R1.8 CCCN1C=CC=N1 SY023536 [1,0,0,0,1,0|2,0,0]=4 942 B8R1.8 CCCN1C=CN=C1 SY029323 [1,0,0,0,1,0|2,0,0]=4 943 B8R1.8 CNCC1=CC=CS1 SY002432 [1,0,0,0,1,0|1,0,0]=3 944 B8R1.8 CNCC1=CC=CS1 SY002436 [1,0,0,0,1,0|1,0,0]=3 945 B8R1.8 CNCC1=COC=C1 SY014265 [1,0,0,0,1,0|1,0,0]=3 946 B8R1.8 NCCC1=CC=CN1 SY010719 [1,0,0,0,1,0|1,0,0]=3 947 B8R1.8 NCCC1=CC=CN1 SY011737 [1,0,0,0,1,0|1,0,0]=3 948 B8R1.8 NCCC1=CC=CO1 SY021981 [1,0,0,0,1,0|1,0,0]=3 949 B8R1.8 NCCC1=CC=CS1 SY004316 [1,0,0,0,1,0|1,0,0]=3 950 B8R1.8 NCCC1=CNC=N1 SY012860 [1,0,0,0,1,0|2,0,0]=4 951 B8R1.8 NCCC1=CNC=N1 SY041787 [1,0,0,0,1,0|2,0,0]=4 952 B8R1.8 NCCC1=CNN=C1 SY039272 [1,0,0,0,1,0|2,0,0]=4 953 B8R1.8 NCCC1=CSC=C1 SY034366 [1,0,0,0,1,0|1,0,0]=3 954 B8R1.8 NCCC1=NC=CN1 SY010697 [1,0,0,0,1,0|2,0,0]=4 955 B8R1.8 NCCC1=NC=CN1 SY059809 [1,0,0,0,1,0|2,0,0]=4 956 B8R1.8 NCCC1=NNC=C1 SY021017 [1,0,0,0,1,0|2,0,0]=4 957 B8R1.8 NCCC1=NNC=C1 SY040011 [1,0,0,0,1,0|2,0,0]=4 958 B8R1.8 NCCN1C=CC=N1 SY014106 [1,0,0,0,1,0|2,0,0]=4 959 B8R1.8 NCCN1C=CN=C1 SY014254 [1,0,0,0,1,0|2,0,0]=4 960 B8R1.8 NCCN1C=CN=C1 SY079565 [1,0,0,0,1,0|2,0,0]=4 961 B8R1.8 NCCN1C=CN=C1 SY110715 [1,0,0,0,1,0|2,0,0]=4 962 B8R1.8 NOCC1=CSC=C1 SY281788 [1,0,0,0,1,0|2,0,0]=4 963 B8R1.8 NOCC1=CSC=C1 SY281789 [1,0,0,0,1,0|2,0,0]=4 964 B8R1.8 OCCC1=CSC=C1 SY003714 [1,0,0,0,1,0|2,0,0]=4