0 B12R1.270 CCOC1=C(Br)C=CC(C=O)=C1 B51879 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.270 CCOC1=C(O)C=CC(C#N)=C1 E69849 [0,0,0,0,0,0|1,0,1]=2 2 B11R1.182 CCOC1=C(Br)C=NC(Cl)=C1 B45875 [1,0,0,0,0,0|3,0,0]=4 3 B11R1.182 CCOC1=C(C)C=CC(Br)=C1 B50153 [1,0,0,0,0,0|2,0,0]=3 4 B11R1.182 CCOC1=CC(Cl)=NC=C1N V36935 [1,0,0,0,0,0|3,0,0]=4 5 B11R1.189 COCC1=CC=CC(C=O)=N1 M49286 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.280 CCC1=C(Br)C=CC(C#N)=C1 B51449 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.280 CCC1=C(F)C=CC(C#N)=C1 E51459 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.280 CCC1=C(N)C=CC(C#N)=C1 A49710 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.280 COC1=C(Br)C=CC(C#N)=C1 B48071 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.280 COC1=C(Br)C=CC(C=O)=C1 B38611 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.280 COC1=C(Br)C=CC(CO)=C1 B49380 [1,0,0,0,0,0|1,0,2]=4 12 B11R1.280 COC1=C(C)C=CC(C#N)=C1 M51762 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.280 COC1=C(C)C=CC(C=O)=C1 M49889 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.280 COC1=C(Cl)C=CC(C=O)=C1 C48599 [1,0,0,0,0,0|1,0,0]=2 15 B11R1.280 COC1=C(Cl)C=CC(CBr)=C1 B49133 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.280 COC1=C(Cl)C=CC(CO)=C1 C49387 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.280 COC1=C(F)C=CC(C#N)=C1 F48103 [1,0,0,0,0,0|2,0,1]=4 18 B11R1.280 COC1=C(F)C=CC(C=O)=C1 F18436 [1,0,0,0,0,0|1,0,0]=2 19 B11R1.280 COC1=C(F)C=CC(CBr)=C1 B49142 [1,0,0,0,0,0|2,0,1]=4 20 B11R1.280 COC1=C(N)C=CC(C#N)=C1 A48802 [1,0,0,0,0,0|2,0,1]=4 21 B11R1.280 COC1=C(N)C=CC(CO)=C1 A46925 [1,0,0,0,0,0|1,0,2]=4 22 B11R1.280 COC1=C(O)C=CC(C#N)=C1 H61784 [1,0,0,0,0,0|1,0,1]=3 23 B11R1.280 COC1=C(O)C=CC(CN)=C1 A68828 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.280 COC1=CC(OC)=C(Br)C=C1 D3157 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.280 COC1=CC(OC)=C(O)C=C1 D46840 [1,0,0,0,0,0|2,0,0]=3 26 B11R1.280 COC1=CC(OC)=C([Mg+])C=C1 D31787 [1,0,0,0,0,0|3,0,0]=4 27 B11R1.280 N#CC1=C(Br)C=CC(C=O)=C1 B37288 [1,0,0,0,0,0|2,0,1]=4 28 B11R1.280 N#CC1=C(Cl)C=CC(C=O)=C1 C37093 [1,0,0,0,0,0|2,0,1]=4 29 B11R1.280 N#CC1=C(F)C=CC(C=O)=C1 F47447 [1,0,0,0,0,0|2,0,1]=4 30 B11R1.280 N#CC1=C(O)C=CC(C=O)=C1 F47715 [1,0,0,0,0,0|1,0,1]=3 31 B13R1.97 O=CC1=CC(OC(F)F)=C(F)C=C1 D47794 [0,1,0,0,0,0|2,0,0]=3 32 B13R1.97 O=CC1=CC(OC(F)F)=C(O)C=C1 D48230 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.354 CCCC1=C(F)C=CC(C(=O)O)=C1 F52640 [0,1,0,0,0,0|2,0,0]=3 34 B13R1.354 CCOC1=C(Br)C=CC([N+](=O)[O-])=C1 B48984 [0,1,0,0,0,0|2,0,0]=3 35 B13R1.354 CCOC1=C(Cl)C=CC(B(O)O)=C1 C46845 [0,1,0,0,0,0|2,0,1]=4 36 B13R1.354 CCOC1=C(F)C=CC(B(O)O)=C1 E46847 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.354 CCOC1=C(F)C=CC(C(C)=O)=C1 E52646 [0,1,0,0,0,0|1,0,0]=2 38 B13R1.354 CCOC1=C(F)C=CC([N+](=O)[O-])=C1 E49008 [0,1,0,0,0,0|2,0,0]=3 39 B13R1.355 CCOC1=C(OC)C=CC(C#N)=C1 E52560 [0,1,0,0,0,0|1,0,1]=3 40 B13R1.355 CCOC1=C(OC)C=CC(C=O)=C1 E66599 [0,1,0,0,0,0|0,0,0]=1 41 B13R1.558 CCOCC1=C(Br)C=CC(C#N)=C1 B64826 [0,1,0,0,0,0|2,0,1]=4 42 B13R1.2431 COC(=O)C1=C(Br)C=CC(C=O)=C1 M51274 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.2431 COC(=O)C1=C(O)C=CC(C=O)=C1 M64920 [0,1,0,0,0,0|2,0,0]=3 44 B13R1.3981 CCOC1=CC(C=O)=CC(Br)=C1O B51977 [0,1,0,0,0,0|0,0,0]=1 45 B13R2.57 BrCC1=CC2=C(C=C1)OCCO2 B51912 [0,0,0,1,0,0|1,0,1]=3 46 B13R2.57 COC1=CC2=C(C=C1)NCCO2 M38970 [0,0,0,1,0,0|3,0,0]=4 47 B13R2.57 N#CC1=CC2=C(C=C1)OCCN2 D51367 [0,0,0,1,0,0|2,0,1]=4 48 B13R2.57 O=CC1=CC2=C(C=C1)OCCC2 C52424 [0,0,0,1,0,0|1,0,0]=2 49 B13R2.57 O=CC1=CC2=C(C=C1)OCCO2 D22898 [0,0,0,1,0,0|0,0,0]=1 50 B13R2.57 O=CC1=NC2=C(C=C1)OCCO2 D64008 [0,0,0,1,0,0|1,0,0]=2 51 B13R2.57 O=CC1=NC=C2OCCCC2=C1 D24093 [0,0,0,1,0,0|2,0,0]=3 52 B13R2.57 O=CC1=NC=C2OCCOC2=C1 D48507 [0,0,0,1,0,0|1,0,0]=2 53 B13R2.57 OCC1=CC2=C(C=C1)OCCO2 D49934 [0,0,0,1,0,0|0,0,2]=3 54 B13R2.57 OCC1=CC=C2OCCOC2=N1 D49342 [0,0,0,1,0,0|1,0,2]=4 55 B13R2.2121 CC1=NC2=C(C=C(C=O)C=C2)O1 M51187 [0,0,0,1,0,0|1,0,1]=3 56 B13R2.2121 CN1C=C2C=C(C=O)C=CC2=N1 M14154 [0,0,0,1,0,0|3,0,0]=4 57 B13R2.2121 CN1C=C2C=CC(C=O)=CC2=N1 M14159 [0,0,0,1,0,0|3,0,0]=4 58 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.4 CCOC1=C(N)C=CN=C1 E26317 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.4 CCOC1=C(N)C=NC=C1 E38360 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.4 CCOC1=C([Mg+])C=CC=C1 E31764 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.4 CCOC1=CC=CNC1=O E46398 [2,0,0,0,0,0|1,0,1]=4 63 B10R1.4 CCSC1=C(N)C=CC=C1 E46939 [2,0,0,0,0,0|1,1,0]=4 64 B10R1.4 COCC1=C(O)C=CC=C1 M69473 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.4 NCCC1=C(O)C=CC=C1 A46892 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.10 CCOC1=CC(Br)=CN=C1 B46155 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.10 CCOC1=CC(Br)=NC=C1 B21763 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.10 CCOC1=CC(Cl)=NC=C1 C46183 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.10 CCOC1=CC(F)=NC=C1 E46208 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.10 CCOC1=CC(N)=CC=C1 E64076 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.10 CCOC1=CC(N)=NC=C1 A43626 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.10 CCOC1=CC=CC(Br)=C1 B49423 [2,0,0,0,0,0|1,0,0]=3 73 B10R1.10 CCOC1=CC=CC(F)=C1 E49455 [2,0,0,0,0,0|1,0,0]=3 74 B10R1.10 CCOC1=CC=CC([Mg+])=C1 E31766 [2,0,0,0,0,0|1,0,0]=3 75 B10R1.10 CCOC1=CN=CC(N)=C1 E36780 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.10 CCOC1=NC=CC(Br)=C1 B24368 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.10 CCOC1=NC=CC(N)=C1 A43627 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.10 CCSC1=CC=CC(Br)=C1 B3190 [2,0,0,0,0,0|1,1,0]=4 79 B10R1.30 CCC1=C(Br)C=CC(O)=C1 B49425 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.30 CCC1=C(F)C=CC(Br)=C1 B48764 [2,0,0,0,0,0|2,0,0]=4 81 B10R1.30 CCC1=C(N)C=CC(Br)=C1 B66403 [2,0,0,0,0,0|2,0,0]=4 82 B10R1.30 CCC1=C(N)C=CC(Cl)=C1 C46752 [2,0,0,0,0,0|2,0,0]=4 83 B10R1.30 COC1=C(Br)C=CC(Br)=C1 D45542 [2,0,0,0,0,0|2,0,0]=4 84 B10R1.30 COC1=C(Br)C=CC(C)=C1 B49434 [2,0,0,0,0,0|1,0,1]=4 85 B10R1.30 COC1=C(Br)C=CC(Cl)=C1 B45562 [2,0,0,0,0,0|2,0,0]=4 86 B10R1.30 COC1=C(Br)C=CC(F)=C1 B45575 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.30 COC1=C(Br)C=CC(I)=C1 B45582 [2,0,0,0,0,0|2,0,0]=4 88 B10R1.30 COC1=C(Br)C=CC(N)=C1 B46156 [2,0,0,0,0,0|2,0,0]=4 89 B10R1.30 COC1=C(Br)C=CC(O)=C1 B45901 [2,0,0,0,0,0|1,0,1]=4 90 B10R1.30 COC1=C(C)C=CC(Br)=C1 B49441 [2,0,0,0,0,0|2,0,0]=4 91 B10R1.30 COC1=C(C)C=CC(C)=C1 M50278 [2,0,0,0,0,0|1,0,1]=4 92 B10R1.30 COC1=C(C)C=CC(N)=C1 M46899 [2,0,0,0,0,0|2,0,0]=4 93 B10R1.30 COC1=C(Cl)C=CC(Br)=C1 B45554 [2,0,0,0,0,0|2,0,0]=4 94 B10R1.30 COC1=C(Cl)C=CC(Cl)=C1 D45591 [2,0,0,0,0,0|2,0,0]=4 95 B10R1.30 COC1=C(Cl)C=CC(F)=C1 C45592 [2,0,0,0,0,0|2,0,0]=4 96 B10R1.30 COC1=C(Cl)C=CC(I)=C1 C45601 [2,0,0,0,0,0|2,0,0]=4 97 B10R1.30 COC1=C(Cl)C=CC(N)=C1 C46190 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.30 COC1=C(Cl)C=CC(O)=C1 C45912 [2,0,0,0,0,0|1,0,1]=4 99 B10R1.30 COC1=C(F)C=CC(Br)=C1 B45577 [2,0,0,0,0,0|2,0,0]=4 100 B10R1.30 COC1=C(F)C=CC(I)=C1 F63969 [2,0,0,0,0,0|2,0,0]=4 101 B10R1.30 COC1=C(F)C=CC(N)=C1 F46210 [2,0,0,0,0,0|2,0,0]=4 102 B10R1.30 COC1=C(F)C=CC(O)=C1 F45918 [2,0,0,0,0,0|1,0,1]=4 103 B10R1.30 COC1=C(I)C=CC(Br)=C1 B38625 [2,0,0,0,0,0|2,0,0]=4 104 B10R1.30 COC1=C(I)C=CC(Cl)=C1 C45603 [2,0,0,0,0,0|2,0,0]=4 105 B10R1.30 COC1=C(I)C=CC(N)=C1 K46230 [2,0,0,0,0,0|2,0,0]=4 106 B10R1.30 COC1=C(N)C=CC(Br)=C1 B37849 [2,0,0,0,0,0|2,0,0]=4 107 B10R1.30 COC1=C(N)C=CC(C)=C1 M69494 [2,0,0,0,0,0|1,0,1]=4 108 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46189 [2,0,0,0,0,0|2,0,0]=4 109 B10R1.30 COC1=C(N)C=CC(Cl)=C1 C46203 [2,0,0,0,0,0|2,0,0]=4 110 B10R1.30 COC1=C(N)C=CC(F)=C1 F46209 [2,0,0,0,0,0|2,0,0]=4 111 B10R1.30 COC1=C(N)C=CC(N)=C1 M43596 [2,0,0,0,0,0|2,0,0]=4 112 B10R1.30 COC1=C(O)C=CC(Br)=C1 B1785 [2,0,0,0,0,0|1,0,0]=3 113 B10R1.30 COC1=C(O)C=CC(Br)=N1 B61798 [2,0,0,0,0,0|2,0,0]=4 114 B10R1.30 COC1=C(O)C=CC(C)=C1 M69495 [2,0,0,0,0,0|0,0,1]=3 115 B10R1.30 COC1=C(O)C=CC(Cl)=C1 C63275 [2,0,0,0,0,0|1,0,0]=3 116 B10R1.30 COC1=C(O)C=CC(F)=C1 F23730 [2,0,0,0,0,0|1,0,0]=3 117 B10R1.30 COC1=C(O)C=CC(N)=C1 A46396 [2,0,0,0,0,0|1,0,0]=3 118 B10R1.30 COC1=C([Mg+])C=CC(Cl)=C1 C31792 [2,0,0,0,0,0|2,0,0]=4 119 B10R1.30 NCC1=C(O)C=CC(Br)=C1 A46182 [2,0,0,0,0,0|2,0,0]=4 120 B10R1.30 OCC1=C(O)C=CC(Br)=C1 B68796 [2,0,0,0,0,0|2,0,0]=4 121 B10R1.172 C#CC1=CC=CC(C=O)=C1 E50961 [2,0,0,0,0,0|0,0,2]=4 122 B10R1.172 C#CC1=CC=CC(OC)=C1 E25312 [2,0,0,0,0,0|1,0,1]=4 123 B10R1.172 CCC1=CC=CC(C#N)=C1 E38775 [2,0,0,0,0,0|1,0,1]=4 124 B10R1.172 CCC1=CC=CC(C=O)=C1 E49870 [2,0,0,0,0,0|0,0,0]=2 125 B10R1.172 CCC1=CC=CC(C=O)=N1 E49258 [2,0,0,0,0,0|1,0,0]=3 126 B10R1.172 COC1=CC(C#N)=CC=C1 M65442 [2,0,0,0,0,0|1,0,1]=4 127 B10R1.172 COC1=CC(C=O)=CN=C1 M2961 [2,0,0,0,0,0|1,0,0]=3 128 B10R1.172 COC1=CC(C=O)=NC=C1 M38180 [2,0,0,0,0,0|1,0,0]=3 129 B10R1.172 COC1=CC(CN)=CC=C1 M27985 [2,0,0,0,0,0|1,0,1]=4 130 B10R1.172 COC1=CC(CO)=CC=C1 M39430 [2,0,0,0,0,0|0,0,2]=4 131 B10R1.172 COC1=CC(NN)=CC=C1 M69005 [2,0,0,0,0,0|2,0,0]=4 132 B10R1.172 COC1=CC=CC(C=O)=C1 M67838 [2,0,0,0,0,0|0,0,0]=2 133 B10R1.172 COC1=CC=CC(C=O)=N1 M24168 [2,0,0,0,0,0|1,0,0]=3 134 B10R1.172 COC1=CC=CC(CCl)=C1 C49452 [2,0,0,0,0,0|1,0,1]=4 135 B10R1.172 COC1=NC=CC(C=O)=C1 M3688 [2,0,0,0,0,0|1,0,0]=3 136 B10R1.172 COC1=NC=CC(C=O)=N1 M67794 [2,0,0,0,0,0|2,0,0]=4 137 B10R1.172 N#CC1=CC=CC(C=O)=C1 C47711 [2,0,0,0,0,0|1,0,1]=4 138 B10R1.172 O=CC1=CC(CO)=CC=C1 H36764 [2,0,0,0,0,0|1,0,0]=3 139 B10R1.172 O=CC1=CC=CC(CBr)=C1 B48710 [2,0,0,0,0,0|1,0,0]=3 140 B10R1.172 O=CC1=CC=CC(CF)=N1 F45495 [2,0,0,0,0,0|2,0,0]=4 141 B10R1.176 CC1=C(Br)C=C(C=O)C=C1 B48714 [2,0,0,0,0,0|2,0,0]=4 142 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 B48717 [2,0,0,0,0,0|1,0,0]=3 143 B10R1.176 CC1=C(Br)C=CC(C=O)=N1 B19216 [2,0,0,0,0,0|2,0,0]=4 144 B10R1.176 CC1=C(Br)C=NC(C=O)=C1 B45474 [2,0,0,0,0,0|2,0,0]=4 145 B10R1.176 CC1=C(Cl)C=C(C=O)C=C1 C48728 [2,0,0,0,0,0|2,0,0]=4 146 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 C48730 [2,0,0,0,0,0|1,0,0]=3 147 B10R1.176 CC1=C(F)C=CC(C=O)=C1 F48742 [2,0,0,0,0,0|1,0,0]=3 148 B10R1.176 CC1=C(F)C=CC(C=O)=N1 F26082 [2,0,0,0,0,0|2,0,0]=4 149 B10R1.176 CC1=C(O)C=C(C=O)C=C1 H67820 [2,0,0,0,0,0|1,0,0]=3 150 B10R1.176 CC1=C(O)C=CC(C#N)=C1 H48450 [2,0,0,0,0,0|1,0,1]=4 151 B10R1.176 CC1=C(O)C=CC(C=O)=C1 H49074 [2,0,0,0,0,0|0,0,0]=2 152 B10R1.176 CC1=C(O)C=CC(CO)=C1 H46832 [2,0,0,0,0,0|0,0,2]=4 153 B10R1.176 CC1=CC(C=O)=CN=C1Br B45476 [2,0,0,0,0,0|2,0,0]=4 154 B10R1.176 COC1=CC(C)=C(O)C=C1 H38045 [2,0,0,0,0,0|2,0,0]=4 155 B10R1.176 N#CC1=CC(O)=C(O)C=C1 P68087 [2,0,0,0,0,0|1,0,1]=4 156 B10R1.176 O=CC1=CC(Br)=C(Br)C=C1 D44634 [2,0,0,0,0,0|2,0,0]=4 157 B10R1.176 O=CC1=CC(Br)=C(Cl)C=C1 B44639 [2,0,0,0,0,0|2,0,0]=4 158 B10R1.176 O=CC1=CC(Br)=C(F)C=C1 B64545 [2,0,0,0,0,0|2,0,0]=4 159 B10R1.176 O=CC1=CC(Br)=C(O)C=C1 B45084 [2,0,0,0,0,0|1,0,0]=3 160 B10R1.176 O=CC1=CC(Cl)=C(Br)C=C1 B44641 [2,0,0,0,0,0|2,0,0]=4 161 B10R1.176 O=CC1=CC(Cl)=C(F)C=C1 C69059 [2,0,0,0,0,0|2,0,0]=4 162 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C45092 [2,0,0,0,0,0|1,0,0]=3 163 B10R1.176 O=CC1=CC(Cl)=C(O)N=C1 C42251 [2,0,0,0,0,0|2,0,0]=4 164 B10R1.176 O=CC1=CC(F)=C(Br)C=C1 B18680 [2,0,0,0,0,0|2,0,0]=4 165 B10R1.176 O=CC1=CC(F)=C(Cl)C=C1 C44666 [2,0,0,0,0,0|2,0,0]=4 166 B10R1.176 O=CC1=CC(F)=C(F)C=C1 D39346 [2,0,0,0,0,0|2,0,0]=4 167 B10R1.176 O=CC1=CC(F)=C(I)C=C1 F44687 [2,0,0,0,0,0|2,0,0]=4 168 B10R1.176 O=CC1=CC(F)=C(O)C=C1 F45101 [2,0,0,0,0,0|1,0,0]=3 169 B10R1.176 O=CC1=CC(I)=C(Cl)C=C1 C44674 [2,0,0,0,0,0|2,0,0]=4 170 B10R1.176 O=CC1=CC(I)=C(O)C=C1 H69424 [2,0,0,0,0,0|1,0,0]=3 171 B10R1.176 O=CC1=CC(O)=C(Br)C=C1 B36771 [2,0,0,0,0,0|1,0,0]=3 172 B10R1.176 O=CC1=CC(O)=C(Cl)C=C1 C36636 [2,0,0,0,0,0|1,0,0]=3 173 B10R1.176 O=CC1=CC(O)=C(I)C=C1 H61294 [2,0,0,0,0,0|1,0,0]=3 174 B12R1.127 CC(C)OC1=C(Cl)C=CC(Br)=C1 B49957 [1,1,0,0,0,0|2,0,0]=4 175 B12R1.127 CC(C)OC1=C(N)C=CC(F)=C1 F28703 [1,1,0,0,0,0|2,0,0]=4 176 B12R1.127 CC1=C(OC(C)C)C=C(N)C=C1 P54195 [1,1,0,0,0,0|2,0,0]=4 177 B12R1.268 CCOC1=C(C#N)C=CC(Br)=C1 B51505 [1,1,0,0,0,0|2,0,0]=4 178 B12R1.374 CCNCC1=C(O)C=CC(Br)=C1 B50254 [1,1,0,0,0,0|2,0,0]=4 179 B12R1.374 CCNCC1=C(O)C=CC(Cl)=C1 C50261 [1,1,0,0,0,0|2,0,0]=4 180 B12R1.41 CCOC1=CC(C=O)=CC(F)=C1 E63430 [1,1,0,0,0,0|0,0,0]=2 181 B12R1.41 CCOC1=CC(O)=CC(C=O)=C1 E49913 [1,1,0,0,0,0|0,0,0]=2 182 B12R1.279 CCOC1=CC(B(O)O)=CC=C1 E3080 [1,1,0,0,0,0|1,0,1]=4 183 B12R1.279 CCOC1=CC=CC(C(=O)O)=C1 E63619 [1,1,0,0,0,0|0,0,0]=2 184 B12R1.279 CCOC1=CC=CC([N+](=O)[O-])=C1 E49302 [1,1,0,0,0,0|1,0,0]=3 185 B12R1.279 COCC1=CC=CC(C(=O)O)=C1 M49910 [1,1,0,0,0,0|2,0,0]=4 186 B12R1.286 CCOC1=CC(C=O)=C(Br)C=C1 B51876 [1,1,0,0,0,0|0,0,0]=2 187 B12R1.286 O=CC1=C(Cl)C=CC(CCO)=C1 C63114 [1,1,0,0,0,0|2,0,0]=4 188 B12R1.382 C=CCOC1=CC=CC(C=O)=C1 A52430 [1,1,0,0,0,0|0,0,1]=3 189 B12R1.435 COC(=O)C1=CC(C=O)=CC=C1 M51624 [1,1,0,0,0,0|2,0,0]=4 190 B12R1.438 CC(=O)OC1=CC(C=O)=CC=C1 F51622 [1,1,0,0,0,0|0,0,1]=3 191 B12R1.438 O=CC1=CC(OC(F)F)=NC=C1 D37067 [1,1,0,0,0,0|2,0,0]=4 192 B12R1.438 O=CC1=CC=CC(OC(F)F)=C1 D48188 [1,1,0,0,0,0|1,0,0]=3 193 B12R1.56 CCC1=C(N)C=CC(C(=O)O)=C1 A50043 [1,1,0,0,0,0|1,0,0]=3 194 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=C1 B48643 [1,1,0,0,0,0|1,0,0]=3 195 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 B37401 [1,1,0,0,0,0|2,0,0]=4 196 B12R1.56 COC1=C(Br)C=CC([N+](=O)[O-])=C1 B45404 [1,1,0,0,0,0|2,0,0]=4 197 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M39538 [1,1,0,0,0,0|1,0,0]=3 198 B12R1.56 COC1=C(C)C=CC([N+](=O)[O-])=C1 M69040 [1,1,0,0,0,0|2,0,0]=4 199 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=C1 C48658 [1,1,0,0,0,0|1,0,0]=3 200 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 C45435 [1,1,0,0,0,0|2,0,0]=4 201 B12R1.56 COC1=C(Cl)C=CC([N+](=O)[O-])=C1 C45437 [1,1,0,0,0,0|2,0,0]=4 202 B12R1.56 COC1=C(F)C=CC(C(=O)O)=C1 F6994 [1,1,0,0,0,0|1,0,0]=3 203 B12R1.56 COC1=C(F)C=CC([N+](=O)[O-])=C1 F45449 [1,1,0,0,0,0|2,0,0]=4 204 B12R1.56 COC1=C(I)C=CC([N+](=O)[O-])=C1 K45455 [1,1,0,0,0,0|2,0,0]=4 205 B12R1.56 COC1=C(O)C=CC(B(O)O)=C1 H46448 [1,1,0,0,0,0|1,0,1]=4 206 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M45855 [1,1,0,0,0,0|1,0,0]=3 207 B12R1.56 N#CC1=C(O)C=CC(C(=O)O)=C1 C47725 [1,1,0,0,0,0|1,0,1]=4 208 B12R1.56 O=C(O)C1=CC(CO)=C(Br)C=C1 B48647 [1,1,0,0,0,0|2,0,0]=4 209 B12R1.56 O=CC1=C(O)C=CC(C(=O)O)=C1 F68325 [1,1,0,0,0,0|1,0,1]=4 210 B12R1.78 C=CC1=CC(OC)=C(OC)C=C1 D52795 [1,1,0,0,0,0|1,0,0]=3 211 B12R1.78 CCC1=CC(OC)=C(OC)C=C1 E53088 [1,1,0,0,0,0|1,0,1]=4 212 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D60501 [1,1,0,0,0,0|1,0,1]=4 213 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 V69274 [1,1,0,0,0,0|0,0,0]=2 214 B12R1.78 COC1=C(OC)C=C(CBr)C=C1 B38021 [1,1,0,0,0,0|1,0,1]=4 215 B12R1.78 COC1=C(OC)C=C(NN)C=C1 D67774 [1,1,0,0,0,0|2,0,0]=4 216 B12R1.300 COC1=C(O)C(C)=CC(C#N)=C1 H15564 [1,1,0,0,0,0|1,0,1]=4 217 B12R1.300 COC1=C(O)C(O)=CC(C=O)=C1 D61559 [1,1,0,0,0,0|0,0,0]=2 218 B12R1.300 COC1=CC(C=O)=CC(Br)=C1O B67398 [1,1,0,0,0,0|0,0,0]=2 219 B12R1.300 COC1=CC(C=O)=CC(F)=C1O F48688 [1,1,0,0,0,0|0,0,0]=2 220 B12R1.449 COC1=C(Br)C=C(F)C(C=O)=C1 B62798 [1,1,0,0,0,0|1,0,0]=3 221 B12R1.449 COC1=CC(C=O)=C(Br)C=C1F B63346 [1,1,0,0,0,0|1,0,0]=3 222 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O B48649 [1,1,0,0,0,0|0,0,0]=2 223 B12R1.654 COC1=C(Cl)C(C=O)=CC=C1O C64134 [1,1,0,0,0,0|0,0,0]=2 224 B14R1.2336 O=CC1=CC(OC(F)(F)F)=C(O)C=C1 H68781 [0,2,0,0,0,0|1,0,0]=3 225 B14R1.441 CCOC1=C(OC)C=CC(C(C)=O)=C1 E54800 [0,2,0,0,0,0|0,0,0]=2 226 B14R1.441 CCOC1=C(OC)C=CC(C(N)=O)=C1 E69848 [0,2,0,0,0,0|0,0,0]=2 227 B14R1.706 CCC(=O)C1=C(O)C=CC([N+](=O)[O-])=C1 H51847 [0,2,0,0,0,0|2,0,0]=4 228 B14R1.706 COC(=O)C1=C(O)C=CC(C(C)=O)=C1 M39591 [0,2,0,0,0,0|2,0,0]=4 229 B14R1.5389 CCCC1=C(O)C=CC(C(C)=O)=C1O D65565 [0,2,0,0,0,0|1,0,0]=3 230 B14R1.2315 COC(=O)C1=C(OC)C=CC(C=O)=C1 M52478 [0,2,0,0,0,0|2,0,0]=4 231 B14R1.5121 CCOC1=C(B(O)O)C=CC(C=O)=C1 E61701 [0,2,0,0,0,0|0,0,0]=2 232 B14R1.5236 CCOC1=C(OCC)C=C(C#N)C=C1 D54638 [0,2,0,0,0,0|1,0,1]=4 233 B14R1.6787 CCOC1=C(OC)C=CC(\C=N\O)=C1 E69847 [0,2,0,0,0,0|0,0,1]=3 234 B12R1.312 CCOC(=O)C1=CC=C(C=O)N1 E4112 [0,0,1,1,0,0|2,0,0]=4 235 B12R2.24 BrC1=CC2=C(C=C1)CCCO2 B52017 [1,0,0,1,0,0|2,0,0]=4 236 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B37601 [1,0,0,1,0,0|2,0,0]=4 237 B12R2.24 BrC1=CC2=C(C=C1)NCCO2 B49030 [1,0,0,1,0,0|2,0,0]=4 238 B12R2.24 BrC1=CC2=C(C=C1)OCCC2 B52016 [1,0,0,1,0,0|2,0,0]=4 239 B12R2.24 BrC1=CC2=C(C=C1)OCCN2 B49029 [1,0,0,1,0,0|2,0,0]=4 240 B12R2.24 BrC1=CC2=C(C=C1)OCCO2 B48585 [1,0,0,1,0,0|1,0,0]=3 241 B12R2.24 BrC1=CN=C2OCCOC2=C1 B45348 [1,0,0,1,0,0|2,0,0]=4 242 B12R2.24 ClC1=CC2=C(C=C1)OCCN2 C49043 [1,0,0,1,0,0|2,0,0]=4 243 B12R2.24 FC1=CC2=C(C=C1)OCCN2 F49619 [1,0,0,1,0,0|2,0,0]=4 244 B12R2.24 NC1=CC2=C(C=C1)OCCO2 D49293 [1,0,0,1,0,0|1,0,0]=3 245 B12R2.24 OC1=CC2=C(C=C1)OCCN2 D49294 [1,0,0,1,0,0|1,0,1]=4 246 B12R2.24 OC1=CC2=C(C=C1)OCCO2 H49092 [1,0,0,1,0,0|0,0,1]=3 247 B12R2.24 [Mg+]C1=CC2=C(C=C1)OCCO2 D31785 [1,0,0,1,0,0|1,0,0]=3 248 B12R2.44 O=CC1=CC2=C(C=C1)CCC2 K52409 [1,0,0,1,0,0|1,0,0]=3 249 B12R2.44 O=CC1=CC2=C(C=C1)N=CO2 B67798 [1,0,0,1,0,0|1,0,1]=4 250 B12R2.44 O=CC1=CC2=C(C=C1)OCC2 D51558 [1,0,0,1,0,0|2,0,0]=4 251 B12R2.44 OCC1=CC2=C(C=C1)CCO2 D37247 [1,0,0,1,0,0|0,0,2]=4 252 B12R2.315 C=CC1=CC=CC2=C1CCO2 V52413 [1,0,0,1,0,0|1,0,0]=3 253 B12R2.315 O=CC1=C2CCOC2=CC=C1 D3694 [1,0,0,1,0,0|0,0,0]=2 254 B12R2.315 O=CC1=C2OCCC2=CC=C1 D51555 [1,0,0,1,0,0|2,0,0]=4 255 B12R2.315 O=CC1=C2OCOC2=CC=C1 B25371 [1,0,0,1,0,0|1,0,0]=3 256 B12R2.1 O=CC1=C2OCCOC2=CS1 D45532 [0,0,0,1,1,0|1,0,0]=3 257 B14R2.3303 O=CC1=CC2=C(C=C1)OC(F)(F)O2 D10541 [0,1,0,1,0,0|1,0,0]=3 258 B14R2.601 CC1=NC2=C(C=C(C(=O)O)C=C2)O1 M32341 [0,1,0,1,0,0|1,0,1]=4 259 B14R2.601 CC1=NC2=C(C=CC(C(=O)O)=C2)O1 M51218 [0,1,0,1,0,0|1,0,1]=4 260 B14R2.781 CC(=O)C1=CC2=C(C=C1)NCCC2 T54634 [0,1,0,1,0,0|2,0,0]=4 261 B14R2.781 CC(=O)C1=CC2=C(C=C1)OCCO2 D69218 [0,1,0,1,0,0|0,0,0]=2 262 B14R2.781 O=C(O)C1=CC2=C(C=C1)CCCO2 C60940 [0,1,0,1,0,0|1,0,0]=3 263 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCC2 T52576 [0,1,0,1,0,0|2,0,0]=4 264 B14R2.781 O=C(O)C1=CC2=C(C=C1)NCCO2 D11868 [0,1,0,1,0,0|1,0,0]=3 265 B14R2.781 O=C(O)C1=CC2=C(C=C1)OCCO2 D51646 [0,1,0,1,0,0|0,0,0]=2 266 B14R2.781 O=[N+]([O-])C1=CC2=C(C=C1)NCCO2 N48836 [0,1,0,1,0,0|2,0,0]=4 267 B14R2.781 OB(O)C1=CC2=C(C=C1)OCCO2 B1439 [0,1,0,1,0,0|1,0,1]=4 268 B14R2.8653 CC(=O)C1=C2OCOC2=C(Br)C=C1 B67276 [0,1,0,1,0,0|2,0,0]=4 269 B14R2.1801 CN1CCOC2=C1C=CC(C=O)=C2 M52582 [0,1,0,1,0,0|1,0,0]=3 270 B14R2.2497 CCN1C=CC2=C1C=C(C=O)C=C2 E54406 [0,1,0,1,0,0|2,0,0]=4 271 B14R2.112 ON=CC1=CC2=C(C=C1)OCCO2 D51826 [0,1,0,1,0,0|0,0,1]=3 272 B12R1.114 CCOC1=C(Br)C=C(C=O)C=C1 B51877 [0,0,0,0,1,1|1,0,0]=3