0 B12R1.5 C#CC1=CC=C(C(=O)OC)C=C1 M38528 [0,0,0,0,0,0|1,0,1]=2 1 B12R1.5 C#CC1=CN=C(C(=O)OC)C=C1 M51168 [0,0,0,0,0,0|2,0,1]=3 2 B12R1.5 C#CC1=NC=C(C(=O)OC)C=C1 M51169 [0,0,0,0,0,0|2,0,1]=3 3 B12R1.5 C=CC1=CC=C(C(=O)OC)C=C1 M52426 [0,0,0,0,0,0|1,0,1]=2 4 B12R1.5 CCC(=O)C1=CC=C(CC)C=C1 E22775 [0,0,0,0,0,0|2,0,0]=2 5 B12R1.5 CNC(=O)C1=CC=C(OC)C=C1 M50044 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.5 COC(=O)C1=CC=C(C#N)C=C1 M51166 [0,0,0,0,0,0|2,0,0]=2 7 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 M37811 [0,0,0,0,0,0|2,0,0]=2 8 B12R1.5 COC(=O)C1=CC=C(CBr)C=C1 M51885 [0,0,0,0,0,0|2,0,0]=2 9 B12R1.5 COC(=O)C1=CC=C(CCl)C=C1 M39578 [0,0,0,0,0,0|2,0,0]=2 10 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M52110 [0,0,0,0,0,0|2,0,0]=2 11 B12R1.5 COC(=O)C1=CC=C(CN)C=C1 M64553 [0,0,0,0,0,0|2,0,0]=2 12 B12R1.5 COC(=O)C1=CC=C(OC)C=C1 M68842 [0,0,0,0,0,0|0,0,0]=0 13 B12R1.5 COC(=O)C1=CN=C(C#N)C=C1 M13779 [0,0,0,0,0,0|3,0,0]=3 14 B12R1.5 COC(=O)C1=CN=C(C#N)N=C1 M26616 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.5 COC(=O)C1=CN=C(C=O)C=C1 M16020 [0,0,0,0,0,0|3,0,0]=3 16 B12R1.5 COC(=O)C1=CN=C(CBr)C=C1 M18631 [0,0,0,0,0,0|3,0,0]=3 17 B12R1.5 COC(=O)C1=CN=C(CBr)C=N1 M45643 [0,0,0,0,0,0|4,0,0]=4 18 B12R1.5 COC(=O)C1=CN=C(CN)C=C1 M49498 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.5 COC(=O)C1=CN=C(CN)N=C1 M27204 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.5 COC(=O)C1=CN=C(CO)C=C1 M37990 [0,0,0,0,0,0|3,0,0]=3 21 B12R1.5 COC(=O)C1=CN=C(OC)C=C1 M6283 [0,0,0,0,0,0|1,0,0]=1 22 B12R1.5 COC(=O)C1=CN=C(SC)N=C1 M12384 [0,0,0,0,0,0|2,1,0]=3 23 B12R1.5 COC(=O)C1=NC=C(C=O)N=C1 M25010 [0,0,0,0,0,0|4,0,0]=4 24 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 M36849 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.5 COC(=O)C1=NC=C(OC)C=C1 M14343 [0,0,0,0,0,0|1,0,0]=1 26 B12R1.5 COC(=O)C1=NC=C(OC)N=C1 M67025 [0,0,0,0,0,0|2,0,0]=2 27 B12R1.5 COC(=O)C1=NN=C(C#N)C=C1 C10835 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.5 COC(=O)C1=NN=C(NN)C=C1 M27061 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.5 COC(=O)C1=NN=C(NN)C=C1 M7580 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.5 COC1=CC=C(C(=O)CBr)C=C1 B68678 [0,0,0,0,0,0|2,0,0]=2 31 B12R1.5 COC1=CC=C(C(=O)CCl)C=C1 C68948 [0,0,0,0,0,0|2,0,0]=2 32 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A50364 [0,0,0,0,0,0|3,0,1]=4 33 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52181 [0,0,0,0,0,0|3,0,1]=4 34 B12R1.5 COC1=CC=C([C@@H](N)CO)C=C1 A52182 [0,0,0,0,0,0|3,0,1]=4 35 B12R1.5 COC1=CN=C(C(=N)NO)C=C1 H46346 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.5 N#CC1=CC=C(C(=O)CBr)C=C1 B50921 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.5 N#CC1=CC=C(C(=O)NN)C=C1 C48390 [0,0,0,0,0,0|4,0,0]=4 38 B11R1.3 C#CC1=CC=C(C(=O)O)C=C1 E16325 [1,0,0,0,0,0|1,0,1]=3 39 B11R1.3 C#CC1=CC=C(C(C)=O)C=C1 E62179 [1,0,0,0,0,0|1,0,1]=3 40 B11R1.3 C#CC1=CN=C(C(=O)O)C=C1 E47712 [1,0,0,0,0,0|2,0,1]=4 41 B11R1.3 C#CC1=NC=C(C(=O)O)C=C1 E60471 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.3 C=CC1=CC=C(C(=O)O)C=C1 V67904 [1,0,0,0,0,0|1,0,1]=3 43 B11R1.3 CC(=O)C1=CC=C(C#N)C=C1 A51160 [1,0,0,0,0,0|2,0,0]=3 44 B11R1.3 CC(=O)C1=CC=C(C=O)C=C1 A51552 [1,0,0,0,0,0|2,0,0]=3 45 B11R1.3 CC(=O)C1=CC=C(CBr)C=C1 B36669 [1,0,0,0,0,0|2,0,0]=3 46 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 A52108 [1,0,0,0,0,0|2,0,0]=3 47 B11R1.3 CC(=O)C1=CC=C(CO)C=C1 H49897 [1,0,0,0,0,0|2,0,0]=3 48 B11R1.3 CCC1=CC=C(B(O)O)C=C1 E3140 [1,0,0,0,0,0|2,0,1]=4 49 B11R1.3 CCC1=CC=C(C(=O)O)C=C1 E61033 [1,0,0,0,0,0|1,0,0]=2 50 B11R1.3 CCC1=CN=C(C(=O)O)C=C1 E49271 [1,0,0,0,0,0|2,0,0]=3 51 B11R1.3 CNC1=CC=C(C(=O)O)C=C1 M60981 [1,0,0,0,0,0|1,0,0]=2 52 B11R1.3 CNC1=CC=C(C(C)=O)C=C1 M50024 [1,0,0,0,0,0|1,0,0]=2 53 B11R1.3 CNC1=CC=C([N+](=O)[O-])C=C1 M60707 [1,0,0,0,0,0|2,0,1]=4 54 B11R1.3 CNC1=NC=C(C(=O)O)C=N1 M43111 [1,0,0,0,0,0|3,0,0]=4 55 B11R1.3 COC1=CC=C(C(=N)N)C=C1 M49492 [1,0,0,0,0,0|2,0,0]=3 56 B11R1.3 COC1=CC=C(C(=O)O)C=C1 M64803 [1,0,0,0,0,0|0,0,0]=1 57 B11R1.3 COC1=CC=C(C(N)=O)C=C1 M49268 [1,0,0,0,0,0|1,0,0]=2 58 B11R1.3 COC1=CC=C([C@@H](C)O)C=C1 M50287 [1,0,0,0,0,0|0,0,2]=3 59 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M50345 [1,0,0,0,0,0|1,0,1]=3 60 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M63049 [1,0,0,0,0,0|1,0,1]=3 61 B11R1.3 COC1=CC=C([C@H](C)N)C=C1 M68132 [1,0,0,0,0,0|1,0,1]=3 62 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M38013 [1,0,0,0,0,0|0,0,2]=3 63 B11R1.3 COC1=CC=C([C@H](C)O)C=C1 M50288 [1,0,0,0,0,0|0,0,2]=3 64 B11R1.3 COC1=CN=C(C(=N)N)C=C1 M32423 [1,0,0,0,0,0|3,0,0]=4 65 B11R1.3 COC1=CN=C(C(=O)O)C=C1 M14344 [1,0,0,0,0,0|1,0,0]=2 66 B11R1.3 COC1=CN=C(C(=O)O)C=N1 M23515 [1,0,0,0,0,0|2,0,0]=3 67 B11R1.3 COC1=CN=C(C(C)=O)C=C1 A15229 [1,0,0,0,0,0|1,0,0]=2 68 B11R1.3 COC1=NC=C(B(O)O)C=C1 M4320 [1,0,0,0,0,0|2,0,1]=4 69 B11R1.3 COC1=NC=C(C(=N)N)C=C1 M46573 [1,0,0,0,0,0|3,0,0]=4 70 B11R1.3 COC1=NC=C(C(=O)O)C=C1 M12739 [1,0,0,0,0,0|1,0,0]=2 71 B11R1.3 COC1=NC=C(C(C)=O)C=C1 A49280 [1,0,0,0,0,0|1,0,0]=2 72 B11R1.3 COC1=NC=C(C(C)=O)C=N1 M46010 [1,0,0,0,0,0|2,0,0]=3 73 B11R1.3 COC1=NC=C([N+](=O)[O-])C=C1 M42783 [1,0,0,0,0,0|2,0,1]=4 74 B11R1.3 COC1=NN=C(C(=O)O)C=C1 M24293 [1,0,0,0,0,0|2,0,0]=3 75 B11R1.3 CSC1=CC=C(B(O)O)C=C1 M4660 [1,0,0,0,0,0|1,1,1]=4 76 B11R1.3 CSC1=CC=C(C(=O)O)C=C1 M62193 [1,0,0,0,0,0|0,1,0]=2 77 B11R1.3 CSC1=CC=C(C(C)=O)C=C1 M49959 [1,0,0,0,0,0|0,1,0]=2 78 B11R1.3 CSC1=NC=C(C(=O)O)C=N1 M12383 [1,0,0,0,0,0|2,1,0]=4 79 B11R1.3 N#CC1=CC=C(C(=O)Cl)C=C1 C47438 [1,0,0,0,0,0|3,0,0]=4 80 B11R1.3 N#CC1=CN=C(C(=O)O)C=C1 C44349 [1,0,0,0,0,0|3,0,0]=4 81 B11R1.3 N#CC1=NC=C(C(=O)O)C=C1 C24975 [1,0,0,0,0,0|3,0,0]=4 82 B11R1.3 NCC1=CC=C(C(=O)O)C=C1 A37814 [1,0,0,0,0,0|2,0,0]=3 83 B11R1.3 NCC1=CC=C(C(N)=O)C=C1 A49493 [1,0,0,0,0,0|3,0,0]=4 84 B11R1.3 NNC1=NC=C(C(=O)O)C=C1 H7591 [1,0,0,0,0,0|3,0,0]=4 85 B11R1.3 NOC1=CC=C([N+](=O)[O-])C=C1 N69631 [1,0,0,0,0,0|2,0,1]=4 86 B11R1.3 O=C(O)C1=CC=C(CO)C=C1 H49094 [1,0,0,0,0,0|2,0,0]=3 87 B11R1.3 O=C(O)C1=NC=C(CO)C=C1 H32219 [1,0,0,0,0,0|3,0,0]=4 88 B11R1.3 O=CC1=CC=C(C(=O)O)C=C1 F69091 [1,0,0,0,0,0|2,0,0]=3 89 B11R1.22 CC1=CC=C(C(=O)C=O)C=C1 X51560 [1,0,0,0,0,0|2,0,0]=3 90 B11R1.22 CC1=CC=C(C(=O)CBr)C=C1 B52024 [1,0,0,0,0,0|2,0,0]=3 91 B11R1.22 CC1=CC=C(C(=O)CN)C=C1 A52107 [1,0,0,0,0,0|2,0,0]=3 92 B11R1.22 CC1=CC=C(C(=O)NN)C=C1 T46647 [1,0,0,0,0,0|2,0,0]=3 93 B11R1.22 CCC(=O)C1=CC=C(Br)C=C1 B16168 [1,0,0,0,0,0|2,0,0]=3 94 B11R1.22 CCC(=O)C1=CC=C(F)C=C1 F39582 [1,0,0,0,0,0|2,0,0]=3 95 B11R1.22 CCC(=O)C1=CC=C(I)C=C1 K52052 [1,0,0,0,0,0|2,0,0]=3 96 B11R1.22 CC[C@@H](N)C1=CC=C(C)C=C1 T54185 [1,0,0,0,0,0|2,0,1]=4 97 B11R1.22 CNC(=O)C1=CC=C(Br)C=C1 B49023 [1,0,0,0,0,0|2,0,0]=3 98 B11R1.22 CNC(=O)C1=CC=C(I)C=C1 K63815 [1,0,0,0,0,0|2,0,0]=3 99 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 A69158 [1,0,0,0,0,0|2,0,0]=3 100 B11R1.22 CNC(=O)C1=CN=C(Cl)C=C1 C45698 [1,0,0,0,0,0|3,0,0]=4 101 B11R1.22 CNC(=O)C1=NC=C(Br)C=C1 B60995 [1,0,0,0,0,0|3,0,0]=4 102 B11R1.22 COC(=O)C1=CC=C(Br)C=C1 M39489 [1,0,0,0,0,0|1,0,0]=2 103 B11R1.22 COC(=O)C1=CC=C(C)C=C1 M60598 [1,0,0,0,0,0|0,0,0]=1 104 B11R1.22 COC(=O)C1=CC=C(Cl)C=C1 M64818 [1,0,0,0,0,0|1,0,0]=2 105 B11R1.22 COC(=O)C1=CC=C(F)C=C1 M67923 [1,0,0,0,0,0|1,0,0]=2 106 B11R1.22 COC(=O)C1=CN=C(Br)C=C1 M0015 [1,0,0,0,0,0|2,0,0]=3 107 B11R1.22 COC(=O)C1=CN=C(Br)C=N1 M8884 [1,0,0,0,0,0|3,0,0]=4 108 B11R1.22 COC(=O)C1=CN=C(C)C=C1 M13760 [1,0,0,0,0,0|1,0,0]=2 109 B11R1.22 COC(=O)C1=CN=C(C)N=C1 M12380 [1,0,0,0,0,0|2,0,0]=3 110 B11R1.22 COC(=O)C1=CN=C(Cl)C=C1 M39382 [1,0,0,0,0,0|2,0,0]=3 111 B11R1.22 COC(=O)C1=CN=C(Cl)C=N1 M1561 [1,0,0,0,0,0|3,0,0]=4 112 B11R1.22 COC(=O)C1=CN=C(Cl)N=C1 M1662 [1,0,0,0,0,0|3,0,0]=4 113 B11R1.22 COC(=O)C1=CN=C(F)C=C1 M4740 [1,0,0,0,0,0|2,0,0]=3 114 B11R1.22 COC(=O)C1=CN=C(N)N=C1 M14282 [1,0,0,0,0,0|3,0,0]=4 115 B11R1.22 COC(=O)C1=CNC(=O)C=C1 M7692 [1,0,0,0,0,0|1,0,1]=3 116 B11R1.22 COC(=O)C1=CNC(=O)N=C1 M43427 [1,0,0,0,0,0|2,0,1]=4 117 B11R1.22 COC(=O)C1=COC(=O)C=C1 M38530 [1,0,0,0,0,0|1,0,1]=3 118 B11R1.22 COC(=O)C1=NC=C(Br)C=C1 M10296 [1,0,0,0,0,0|2,0,0]=3 119 B11R1.22 COC(=O)C1=NC=C(Br)C=N1 M14042 [1,0,0,0,0,0|3,0,0]=4 120 B11R1.22 COC(=O)C1=NC=C(C)C=C1 M22900 [1,0,0,0,0,0|1,0,0]=2 121 B11R1.22 COC(=O)C1=NC=C(C)C=N1 M10612 [1,0,0,0,0,0|2,0,0]=3 122 B11R1.22 COC(=O)C1=NC=C(C)N=C1 M46011 [1,0,0,0,0,0|2,0,0]=3 123 B11R1.22 COC(=O)C1=NC=C(Cl)C=C1 M45366 [1,0,0,0,0,0|2,0,0]=3 124 B11R1.22 COC(=O)C1=NC=C(Cl)C=N1 M13251 [1,0,0,0,0,0|3,0,0]=4 125 B11R1.22 COC(=O)C1=NC=C(F)C=C1 M16415 [1,0,0,0,0,0|2,0,0]=3 126 B11R1.22 COC(=O)C1=NC=C(F)C=N1 M17741 [1,0,0,0,0,0|3,0,0]=4 127 B11R1.22 COC(=O)C1=NC=C(I)C=C1 M45392 [1,0,0,0,0,0|2,0,0]=3 128 B11R1.22 COC(=O)C1=NC=C(N)C=C1 M0251 [1,0,0,0,0,0|2,0,0]=3 129 B11R1.22 COC(=O)C1=NC=C(N)C=N1 M10294 [1,0,0,0,0,0|3,0,0]=4 130 B11R1.22 COC(=O)C1=NC=C(N)C=N1 M1663 [1,0,0,0,0,0|3,0,0]=4 131 B11R1.22 COC(=O)C1=NC=C(N)N=C1 A0342 [1,0,0,0,0,0|3,0,0]=4 132 B11R1.22 COC(=O)C1=NC=C(N)N=C1 M19340 [1,0,0,0,0,0|3,0,0]=4 133 B11R1.22 COC(=O)C1=NC=C(O)C=C1 M7706 [1,0,0,0,0,0|1,0,0]=2 134 B11R1.22 COC(=O)C1=NC=C(O)C=N1 M19514 [1,0,0,0,0,0|2,0,0]=3 135 B11R1.22 COC(=O)C1=NC=C(O)N=C1 M12387 [1,0,0,0,0,0|2,0,0]=3 136 B11R1.22 COC(=O)C1=NN=C(Br)C=C1 M32242 [1,0,0,0,0,0|3,0,0]=4 137 B11R1.22 COC(=O)C1=NN=C(Cl)C=C1 C3617 [1,0,0,0,0,0|3,0,0]=4 138 B11R1.22 COC(=O)C1=NN=C(N)C=C1 M7641 [1,0,0,0,0,0|3,0,0]=4 139 B11R1.22 COC(=O)C1=NN=C(O)C=C1 M0452 [1,0,0,0,0,0|2,0,0]=3 140 B11R1.22 NCC(=O)C1=CC=C(Br)C=C1 B49032 [1,0,0,0,0,0|3,0,0]=4 141 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 A49045 [1,0,0,0,0,0|3,0,0]=4 142 B11R1.22 NCC(=O)C1=CC=C(F)C=C1 A49617 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 C45695 [1,0,0,0,0,0|3,0,0]=4 144 B11R1.22 NNC(=O)C1=CC=C(F)C=C1 F45705 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.22 O=C(CCl)C1=CC=C(Br)C=C1 B48246 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.22 O=C(CCl)C1=CC=C(O)C=C1 C69024 [1,0,0,0,0,0|2,0,0]=3 147 B11R1.22 O=CC(=O)C1=CC=C(Br)C=C1 B47769 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.22 O=CC(=O)C1=CC=C(Cl)C=C1 C47781 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.83 CCC1=CC=C(CNC)C=C1 E53118 [1,0,0,0,0,0|2,0,1]=4 150 B11R1.83 CNCC1=CC=C(OC)C=C1 M38582 [1,0,0,0,0,0|1,0,1]=3 151 B11R1.83 CNCC1=CC=C(OC)C=C1 M52172 [1,0,0,0,0,0|1,0,1]=3 152 B11R1.83 COC1=CC=C(C#CI)C=C1 M1885 [1,0,0,0,0,0|2,0,1]=4 153 B11R1.83 COC1=CC=C(CC#N)C=C1 M16235 [1,0,0,0,0,0|2,0,1]=4 154 B11R1.83 COC1=CC=C(CC=O)C=C1 M49894 [1,0,0,0,0,0|2,0,1]=4 155 B11R1.83 COC1=CC=C(CCO)C=C1 M67580 [1,0,0,0,0,0|2,0,1]=4 156 B11R1.83 COC1=CC=C(CC[Mg+])C=C1 M31722 [1,0,0,0,0,0|2,0,1]=4 157 B11R1.83 COC1=CC=C(CNN)C=C1 M0099 [1,0,0,0,0,0|2,0,1]=4 158 B11R1.83 COC1=CC=C(CNN)C=C1 M19471 [1,0,0,0,0,0|2,0,1]=4 159 B11R1.83 COC1=CC=C(CNN)C=C1 M23593 [1,0,0,0,0,0|2,0,1]=4 160 B11R1.83 COC1=CC=C(CON)C=C1 M10064 [1,0,0,0,0,0|1,0,1]=3 161 B11R1.83 COC1=CC=C(CON)C=C1 M38789 [1,0,0,0,0,0|1,0,1]=3 162 B13R1.36 COC1=CC=C(C(=O)C(C)=O)C=C1 M52461 [0,1,0,0,0,0|1,0,0]=2 163 B13R1.36 COC1=CC=C([C@@H](O)C(C)C)C=C1 M54959 [0,1,0,0,0,0|1,0,2]=4 164 B13R1.95 COC(=O)C1=C(Br)C=C(CBr)C=C1 M37016 [0,1,0,0,0,0|2,0,0]=3 165 B13R1.95 COC(=O)C1=C(Br)C=C(OC)C=C1 M51969 [0,1,0,0,0,0|0,0,0]=1 166 B13R1.95 COC(=O)C1=C(C)C=C(C#N)C=C1 M53935 [0,1,0,0,0,0|2,0,0]=3 167 B13R1.95 COC(=O)C1=C(C)C=C(OC)C=C1 M52833 [0,1,0,0,0,0|0,0,0]=1 168 B13R1.95 COC(=O)C1=C(Cl)C=C(C=O)C=N1 M48018 [0,1,0,0,0,0|3,0,0]=4 169 B13R1.95 COC(=O)C1=C(Cl)C=C(OC)N=C1 M63832 [0,1,0,0,0,0|1,0,0]=2 170 B13R1.95 COC(=O)C1=C(F)C=C(C#N)C=C1 M50884 [0,1,0,0,0,0|2,0,0]=3 171 B13R1.95 COC(=O)C1=C(F)C=C(C=O)C=C1 M51285 [0,1,0,0,0,0|2,0,0]=3 172 B13R1.95 COC(=O)C1=C(F)C=C(CBr)C=C1 M51581 [0,1,0,0,0,0|2,0,0]=3 173 B13R1.95 COC(=O)C1=C(N)C=C(C#N)C=C1 M51379 [0,1,0,0,0,0|2,0,0]=3 174 B13R1.95 COC(=O)C1=C(N)C=C(OC)C=C1 M50093 [0,1,0,0,0,0|0,0,0]=1 175 B13R1.95 COC(=O)C1=C(O)C=C(C=O)C=C1 M51642 [0,1,0,0,0,0|2,0,0]=3 176 B13R1.95 COC(=O)C1=C(O)C=C(OC)C=C1 M49942 [0,1,0,0,0,0|0,0,0]=1 177 B13R1.95 COC(=O)C1=CC=C(OC)N=C1Cl M38672 [0,1,0,0,0,0|1,0,0]=2 178 B13R1.95 COC1=CC(O)=C(C(=O)NN)C=C1 H63570 [0,1,0,0,0,0|2,0,0]=3 179 B13R1.139 COC(=O)C1=CC=C(CC#N)C=C1 M53930 [0,1,0,0,0,0|1,0,1]=3 180 B13R1.139 COC(=O)C1=CC=C(CCBr)C=C1 M52620 [0,1,0,0,0,0|1,0,0]=2 181 B13R1.452 C#CC1=CC=C(C(=O)OCC)C=C1 E54339 [0,1,0,0,0,0|1,0,1]=3 182 B13R1.452 CCOC(=O)C1=CC=C(C#N)C=C1 E53920 [0,1,0,0,0,0|2,0,0]=3 183 B13R1.452 CCOC(=O)C1=CC=C(C=O)C=C1 E52452 [0,1,0,0,0,0|2,0,0]=3 184 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 E23314 [0,1,0,0,0,0|2,0,0]=3 185 B13R1.452 CCOC(=O)C1=CC=C(CN)C=C1 E67417 [0,1,0,0,0,0|2,0,0]=3 186 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 E50178 [0,1,0,0,0,0|2,0,0]=3 187 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 E52133 [0,1,0,0,0,0|2,0,0]=3 188 B13R1.452 CCOC(=O)C1=CC=C(OC)C=C1 E39608 [0,1,0,0,0,0|0,0,0]=1 189 B13R1.452 CCOC(=O)C1=CN=C(C#N)C=C1 E51369 [0,1,0,0,0,0|3,0,0]=4 190 B13R1.452 CCOC(=O)C1=CN=C(CBr)C=C1 E49790 [0,1,0,0,0,0|3,0,0]=4 191 B13R1.452 CCOC(=O)C1=CN=C(CN)C=C1 E52134 [0,1,0,0,0,0|3,0,0]=4 192 B13R1.452 CCOC(=O)C1=CN=C(SC)N=C1 E14444 [0,1,0,0,0,0|2,1,0]=4 193 B13R1.452 CCOC(=O)C1=NC=C(CO)C=C1 E50092 [0,1,0,0,0,0|3,0,0]=4 194 B13R1.452 COC1=CC=C(C(=O)CCCl)C=C1 C52638 [0,1,0,0,0,0|1,0,0]=2 195 B13R1.537 CN(C)C1=CC=C(C(=O)CBr)C=C1 B52773 [0,1,0,0,0,0|3,0,0]=4 196 B13R1.537 CNC(=O)C1=CC=C(B(O)O)C=C1 M4328 [0,1,0,0,0,0|3,0,0]=4 197 B13R1.537 COC(=O)C1=CC=C(B(O)O)C=C1 M4080 [0,1,0,0,0,0|2,0,0]=3 198 B13R1.537 COC(=O)C1=CC=C(C(=N)N)C=C1 M55433 [0,1,0,0,0,0|2,0,0]=3 199 B13R1.537 COC(=O)C1=CC=C(C(=O)Cl)C=C1 M51284 [0,1,0,0,0,0|2,0,0]=3 200 B13R1.537 COC(=O)C1=CC=C(C(C)=O)C=C1 M52454 [0,1,0,0,0,0|1,0,0]=2 201 B13R1.537 COC(=O)C1=CC=C([C@@H](C)N)C=C1 M64160 [0,1,0,0,0,0|1,0,0]=2 202 B13R1.537 COC(=O)C1=CC=C([C@H](C)Br)C=C1 M36739 [0,1,0,0,0,0|1,0,0]=2 203 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M22446 [0,1,0,0,0,0|1,0,0]=2 204 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M25458 [0,1,0,0,0,0|1,0,0]=2 205 B13R1.537 COC(=O)C1=CC=C([C@H](C)N)C=C1 M25631 [0,1,0,0,0,0|1,0,0]=2 206 B13R1.537 COC(=O)C1=CC=C([C@H](C)O)C=C1 M52832 [0,1,0,0,0,0|1,0,0]=2 207 B13R1.537 COC(=O)C1=CC=C([N+](=O)[O-])C=C1 M48510 [0,1,0,0,0,0|2,0,0]=3 208 B13R1.537 COC(=O)C1=CN=C(C(=O)[O-])C=C1 M21912 [0,1,0,0,0,0|3,0,0]=4 209 B13R1.537 COC(=O)C1=NC=C(C(Br)Br)C=C1 M48470 [0,1,0,0,0,0|3,0,0]=4 210 B13R1.537 NOC(=O)C1=CC=C([N+](=O)[O-])C=C1 N12107 [0,1,0,0,0,0|3,0,0]=4 211 B13R1.3088 C#CC1=C(F)C=C(C(=O)OC)C=C1 M53598 [0,1,0,0,0,0|1,0,1]=3 212 B13R1.3088 CCC1=C(I)C=C(C(=O)OC)C=C1 M52651 [0,1,0,0,0,0|1,0,0]=2 213 B13R1.3088 CNC1=C(N)C=C(C(=O)OC)C=C1 M50184 [0,1,0,0,0,0|1,0,0]=2 214 B13R1.3088 COC(=O)C1=CC(Br)=C(C=O)C=C1 M51275 [0,1,0,0,0,0|2,0,0]=3 215 B13R1.3088 COC(=O)C1=CC(Br)=C(OC)C=C1 M68517 [0,1,0,0,0,0|0,0,0]=1 216 B13R1.3088 COC(=O)C1=CC(Br)=C(OC)N=C1 M48987 [0,1,0,0,0,0|1,0,0]=2 217 B13R1.3088 COC(=O)C1=CC(C)=C(C#N)C=C1 M53936 [0,1,0,0,0,0|2,0,0]=3 218 B13R1.3088 COC(=O)C1=CC(Cl)=C(C=O)C=C1 M51283 [0,1,0,0,0,0|2,0,0]=3 219 B13R1.3088 COC(=O)C1=CC(Cl)=C(CBr)C=C1 M51570 [0,1,0,0,0,0|2,0,0]=3 220 B13R1.3088 COC(=O)C1=CC(Cl)=C(OC)C=N1 M13349 [0,1,0,0,0,0|1,0,0]=2 221 B13R1.3088 COC(=O)C1=CC(Cl)=C(OC)N=C1 M49002 [0,1,0,0,0,0|1,0,0]=2 222 B13R1.3088 COC(=O)C1=CC(F)=C(C#N)C=C1 M50885 [0,1,0,0,0,0|2,0,0]=3 223 B13R1.3088 COC(=O)C1=CC(F)=C(C=O)C=C1 M51286 [0,1,0,0,0,0|2,0,0]=3 224 B13R1.3088 COC(=O)C1=CC(F)=C(CBr)C=C1 M37018 [0,1,0,0,0,0|2,0,0]=3 225 B13R1.3088 COC(=O)C1=CC(F)=C(CO)C=C1 M51999 [0,1,0,0,0,0|2,0,0]=3 226 B13R1.3088 COC(=O)C1=CC(F)=C(OC)C=C1 M68951 [0,1,0,0,0,0|0,0,0]=1 227 B13R1.3088 COC(=O)C1=CC(N)=C(OC)C=C1 M50090 [0,1,0,0,0,0|0,0,0]=1 228 B13R1.3088 COC(=O)C1=CC(O)=C(C=O)C=C1 M61610 [0,1,0,0,0,0|2,0,0]=3 229 B13R1.3088 COC(=O)C1=CC=C(C#N)C(Cl)=N1 M47578 [0,1,0,0,0,0|3,0,0]=4 230 B13R1.3088 COC(=O)C1=CC=C(OC)C(Br)=N1 M28699 [0,1,0,0,0,0|1,0,0]=2 231 B13R1.3088 COC(=O)C1=CN=C(OC)C(N)=C1 M46695 [0,1,0,0,0,0|1,0,0]=2 232 B13R1.3088 COC(=O)C1=CN=C(OC)C(O)=C1 M49355 [0,1,0,0,0,0|1,0,0]=2 233 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CC2 M52419 [0,0,0,1,0,0|1,0,0]=2 234 B13R2.2130 COC1=CC2=C(C=C1)C(=O)CO2 M36796 [0,0,0,1,0,0|2,0,0]=3 235 B13R2.2130 COC1=CC2=C(C=C1)C(=O)N=C2 M67788 [0,0,0,1,0,0|1,0,1]=3 236 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 M51628 [0,0,0,1,0,0|0,0,0]=1 237 B13R2.2130 COC1=CC2=C(C=C1)C(C)=NN2 M49722 [0,0,0,1,0,0|3,0,0]=4 238 B13R2.2130 COC1=CC2=C(C=C1)C(I)=NN2 K6150 [0,0,0,1,0,0|3,0,0]=4 239 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)CC2 D37981 [0,0,0,1,0,0|3,0,0]=4 240 B13R2.2130 N#CC1=CC2=C(C=C1)C(=O)OC2 X39561 [0,0,0,1,0,0|2,0,0]=3 241 B13R2.2130 NCC1=CC2=C(C=C1)C(=O)NC2 A15155 [0,0,0,1,0,0|3,0,0]=4 242 B13R2.2130 NCC1=CC2=C(C=C1)C(=O)NC2 A52060 [0,0,0,1,0,0|3,0,0]=4 243 B13R2.2130 O=CC1=CC2=C(C=C1)C(=O)NC2 X38923 [0,0,0,1,0,0|3,0,0]=4 244 B11R1.44 CCC1=NNC(C(=O)OC)=C1 M43659 [0,0,0,0,1,0|3,0,0]=4 245 B11R1.44 COC(=O)C1=CC(C=O)=CN1 M63496 [0,0,0,0,1,0|3,0,0]=4 246 B11R1.44 COC(=O)C1=CC(CN)=CS1 M46579 [0,0,0,0,1,0|3,0,0]=4 247 B11R1.44 COC(=O)C1=CC(CO)=CN1 M63509 [0,0,0,0,1,0|3,0,0]=4 248 B11R1.44 COC(=O)C1=CC=C(C#N)N1 M36871 [0,0,0,0,1,0|3,0,0]=4 249 B11R1.44 COC(=O)C1=CC=C(C=O)N1 M45846 [0,0,0,0,1,0|3,0,0]=4 250 B11R1.44 COC(=O)C1=CC=C(C=O)S1 M67529 [0,0,0,0,1,0|3,0,0]=4 251 B11R1.44 COC(=O)C1=CC=C(CCl)O1 M45939 [0,0,0,0,1,0|3,0,0]=4 252 B11R1.44 COC(=O)C1=CC=C(CN)N1 M43667 [0,0,0,0,1,0|3,0,0]=4 253 B11R1.44 COC(=O)C1=CSC(C=O)=C1 M64848 [0,0,0,0,1,0|3,0,0]=4 254 B13R1.5 COC(=O)CC1=CC=C(C#N)C=C1 M53925 [0,0,0,0,0,1|2,0,0]=3 255 B13R1.5 COC(=O)CC1=CC=C(C=O)C=C1 M52460 [0,0,0,0,0,1|2,0,0]=3 256 B13R1.5 COC(=O)CC1=CC=C(CBr)C=C1 M25149 [0,0,0,0,0,1|2,0,0]=3 257 B10R0.59 COC(=O)C=CCC(=O)OC D43729 [1,0,1,0,0,0|1,0,1]=4 258 B10R1.3 C#CC1=CC=C(C=O)C=C1 E38050 [2,0,0,0,0,0|1,0,1]=4 259 B10R1.3 C#CC1=CC=C(OC)C=C1 E51542 [2,0,0,0,0,0|0,0,2]=4 260 B10R1.3 C=CC1=CC=C(OC)C=C1 M68575 [2,0,0,0,0,0|0,0,1]=3 261 B10R1.3 CCC1=CC=C(OC)C=C1 E50270 [2,0,0,0,0,0|0,0,1]=3 262 B10R1.3 CCC1=CN=C(C=O)C=C1 E49257 [2,0,0,0,0,0|2,0,0]=4 263 B10R1.3 COC1=CC=C(C#N)C=C1 M68579 [2,0,0,0,0,0|1,0,1]=4 264 B10R1.3 COC1=CC=C(CN)C=C1 M4627 [2,0,0,0,0,0|1,0,1]=4 265 B10R1.3 COC1=CC=C(CO)C=C1 M68895 [2,0,0,0,0,0|0,0,1]=3 266 B10R1.3 COC1=CC=C(NN)C=C1 M46462 [2,0,0,0,0,0|2,0,0]=4 267 B10R1.3 COC1=CC=C(OC)C=C1 D68896 [2,0,0,0,0,0|0,0,0]=2 268 B10R1.3 COC1=CN=C(C=O)C=C1 M15225 [2,0,0,0,0,0|1,0,0]=3 269 B10R1.3 COC1=CN=C(C=O)N=C1 M12145 [2,0,0,0,0,0|2,0,0]=4 270 B10R1.3 COC1=CN=C(CO)C=C1 H15223 [2,0,0,0,0,0|1,0,1]=4 271 B10R1.3 COC1=CN=C(OC)C=C1 D46391 [2,0,0,0,0,0|1,0,0]=3 272 B10R1.3 COC1=NC=C(C=O)C=C1 M31008 [2,0,0,0,0,0|1,0,0]=3 273 B10R1.3 COC1=NC=C(C=O)C=N1 M42777 [2,0,0,0,0,0|2,0,0]=4 274 B10R1.3 COC1=NC=C(CO)C=C1 M0584 [2,0,0,0,0,0|1,0,1]=4 275 B10R1.3 CSC1=CC=C(C=O)C=C1 M49157 [2,0,0,0,0,0|0,1,0]=3 276 B10R1.3 O=CC1=CC=C(C=O)C=C1 T69290 [2,0,0,0,0,0|2,0,0]=4 277 B10R1.3 O=CC1=CC=C(CBr)C=C1 B24021 [2,0,0,0,0,0|2,0,0]=4 278 B10R1.3 O=CC1=CC=C(CCl)C=C1 C38746 [2,0,0,0,0,0|2,0,0]=4 279 B10R1.3 O=CC1=CC=C(CO)C=C1 H49069 [2,0,0,0,0,0|2,0,0]=4 280 B10R1.13 C=C(C)C1=CC=C(F)C=C1 F51670 [2,0,0,0,0,0|2,0,0]=4 281 B10R1.13 C=C(C)C1=CC=C(O)C=C1 P49877 [2,0,0,0,0,0|1,0,0]=3 282 B10R1.13 CC(=O)C1=CC=C(C)C=C1 M68572 [2,0,0,0,0,0|0,0,0]=2 283 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 C68865 [2,0,0,0,0,0|1,0,0]=3 284 B10R1.13 CC(=O)C1=CC=C(F)C=C1 F38426 [2,0,0,0,0,0|1,0,0]=3 285 B10R1.13 CC(=O)C1=CC=C(I)C=C1 K39500 [2,0,0,0,0,0|1,0,0]=3 286 B10R1.13 CC(=O)C1=CC=C(N)C=C1 A68181 [2,0,0,0,0,0|1,0,0]=3 287 B10R1.13 CC(=O)C1=CC=C(O)C=C1 H64899 [2,0,0,0,0,0|0,0,0]=2 288 B10R1.13 CC(=O)C1=CN=C(Br)C=C1 B3106 [2,0,0,0,0,0|2,0,0]=4 289 B10R1.13 CC(=O)C1=CN=C(C)C=C1 A23296 [2,0,0,0,0,0|1,0,0]=3 290 B10R1.13 CC(=O)C1=CN=C(C)N=C1 M13671 [2,0,0,0,0,0|2,0,0]=4 291 B10R1.13 CC(=O)C1=CN=C(Cl)C=C1 A24257 [2,0,0,0,0,0|2,0,0]=4 292 B10R1.13 CC(=O)C1=CN=C(F)C=C1 F45498 [2,0,0,0,0,0|2,0,0]=4 293 B10R1.13 CC(=O)C1=CN=C(N)C=C1 A22139 [2,0,0,0,0,0|2,0,0]=4 294 B10R1.13 CC(=O)C1=CNC(=O)C=C1 A67563 [2,0,0,0,0,0|1,0,1]=4 295 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 B22347 [2,0,0,0,0,0|2,0,0]=4 296 B10R1.13 CC(=O)C1=NC=C(C)C=C1 M49266 [2,0,0,0,0,0|1,0,0]=3 297 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 C26822 [2,0,0,0,0,0|2,0,0]=4 298 B10R1.13 CC(=O)C1=NC=C(O)C=C1 H45820 [2,0,0,0,0,0|1,0,0]=3 299 B10R1.13 CC(=O)C1=NC=C(O)N=C1 H42776 [2,0,0,0,0,0|2,0,0]=4 300 B10R1.13 CC(C)C1=CC=C(O)C=C1 P60863 [2,0,0,0,0,0|1,0,1]=4 301 B10R1.13 CC1=CC=C(B(O)O)C=C1 T5215 [2,0,0,0,0,0|1,0,1]=4 302 B10R1.13 CC1=CC=C(C(=N)N)C=C1 M38078 [2,0,0,0,0,0|2,0,0]=4 303 B10R1.13 CC1=CC=C(C(=O)O)C=C1 M64877 [2,0,0,0,0,0|0,0,0]=2 304 B10R1.13 CC1=CC=C(C(C)C)C=C1 D60786 [2,0,0,0,0,0|1,0,1]=4 305 B10R1.13 CC1=CC=C(C(N)=O)C=C1 M39514 [2,0,0,0,0,0|1,0,0]=3 306 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T52161 [2,0,0,0,0,0|1,0,1]=4 307 B10R1.13 CC1=CC=C([C@@H](C)N)C=C1 T60511 [2,0,0,0,0,0|1,0,1]=4 308 B10R1.13 CC1=CC=C([C@@H](C)O)C=C1 T50271 [2,0,0,0,0,0|0,0,2]=4 309 B10R1.13 CC1=CC=C([S@](=O)[O-])C=C1 S38423 [2,0,0,0,0,0|1,0,1]=4 310 B10R1.13 CC1=CC=C([S@](C)=O)C=C1 M65785 [2,0,0,0,0,0|1,0,0]=3 311 B10R1.13 CC1=CC=C([S@](N)=O)C=C1 M36646 [2,0,0,0,0,0|2,0,0]=4 312 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M23707 [2,0,0,0,0,0|1,0,0]=3 313 B10R1.13 CC1=CN=C(C(=O)O)C=C1 M46550 [2,0,0,0,0,0|1,0,0]=3 314 B10R1.13 CC1=CN=C(C(=O)O)C=N1 M4677 [2,0,0,0,0,0|2,0,0]=4 315 B10R1.13 CC1=CN=C(C(=O)O)N=C1 M11475 [2,0,0,0,0,0|2,0,0]=4 316 B10R1.13 CC1=NC=C(C(=O)O)C=C1 M10933 [2,0,0,0,0,0|1,0,0]=3 317 B10R1.13 C[C@H](O)C1=CC=C(O)C=C1 H46826 [2,0,0,0,0,0|0,0,2]=4 318 B10R1.13 C[S@](=O)C1=CC=C(Br)C=C1 B63199 [2,0,0,0,0,0|2,0,0]=4 319 B10R1.13 N=C(N)C1=CC=C(O)C=C1 H46554 [2,0,0,0,0,0|2,0,0]=4 320 B10R1.13 NC(=O)C1=CC=C(Br)C=C1 B45467 [2,0,0,0,0,0|2,0,0]=4 321 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 C45478 [2,0,0,0,0,0|2,0,0]=4 322 B10R1.13 NC(=O)C1=CC=C(N)C=C1 A37818 [2,0,0,0,0,0|2,0,0]=4 323 B10R1.13 NC(=S)C1=CC=C(O)C=C1 H39401 [2,0,0,0,0,0|1,1,0]=4 324 B10R1.13 NC1=CN=C(C(=O)O)C=C1 A1119 [2,0,0,0,0,0|2,0,0]=4 325 B10R1.13 NC1=NC=C(C(=O)O)C=C1 A4758 [2,0,0,0,0,0|2,0,0]=4 326 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 C67273 [2,0,0,0,0,0|1,0,0]=3 327 B10R1.13 O=C(O)C1=CC=C(I)C=C1 K39365 [2,0,0,0,0,0|1,0,0]=3 328 B10R1.13 O=C(O)C1=CC=C(S)C=C1 M69070 [2,0,0,0,0,0|0,1,0]=3 329 B10R1.13 O=C(O)C1=CN=C(Br)C=C1 B4499 [2,0,0,0,0,0|2,0,0]=4 330 B10R1.13 O=C(O)C1=CN=C(Cl)C=C1 C24114 [2,0,0,0,0,0|2,0,0]=4 331 B10R1.13 O=C(O)C1=CN=C(F)C=C1 F2849 [2,0,0,0,0,0|2,0,0]=4 332 B10R1.13 O=C(O)C1=CN=C(O)N=C1 H4911 [2,0,0,0,0,0|2,0,0]=4 333 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 B4511 [2,0,0,0,0,0|2,0,0]=4 334 B10R1.13 O=C(O)C1=NC=C(F)C=C1 F13767 [2,0,0,0,0,0|2,0,0]=4 335 B10R1.13 O=C(O)C1=NC=C(I)C=C1 I38885 [2,0,0,0,0,0|2,0,0]=4 336 B10R1.13 O=C(O)C1=NC=C(O)C=C1 H8151 [2,0,0,0,0,0|1,0,0]=3 337 B10R1.13 O=C(O)C1=NC=C(O)N=C1 H12388 [2,0,0,0,0,0|2,0,0]=4 338 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H0266 [2,0,0,0,0,0|2,0,0]=4 339 B10R1.13 O=C(O)C1=NN=C(O)C=C1 H41345 [2,0,0,0,0,0|2,0,0]=4 340 B10R1.13 O=C1C=CC(C(=O)O)=CN1 H12738 [2,0,0,0,0,0|1,0,1]=4 341 B10R1.13 O=C1C=CC(C(=O)O)=CO1 C7780 [2,0,0,0,0,0|1,0,1]=4 342 B10R1.13 O=[S@](O)C1=CC=C(Br)C=C1 B42696 [2,0,0,0,0,0|2,0,0]=4 343 B10R1.1 CCOC1=CC=C(O)C=C1 E68898 [2,0,0,0,0,0|2,0,0]=4 344 B10R1.1 CNCC1=CC=C(C)C=C1 M50315 [2,0,0,0,0,0|1,0,1]=4 345 B10R1.1 CNCC1=CC=C(C)C=C1 M52163 [2,0,0,0,0,0|1,0,1]=4 346 B10R1.1 COCC1=CC=C(N)C=C1 M46895 [2,0,0,0,0,0|1,0,1]=4 347 B10R1.1 ON=CC1=CC=C(O)C=C1 H45817 [2,0,0,0,0,0|2,0,0]=4 348 B10R1.15 C=C(CC)C1=CC=CC=C1 B52673 [2,0,0,0,0,0|2,0,0]=4 349 B10R1.15 CCC(=O)C1=CN=CC=C1 P49262 [2,0,0,0,0,0|2,0,0]=4 350 B10R1.15 COC(=O)C1=CC=NC=C1 M64933 [2,0,0,0,0,0|1,0,0]=3 351 B10R1.15 COC(=O)C1=CN=CN=C1 M10227 [2,0,0,0,0,0|2,0,0]=4 352 B10R1.15 COC(=O)C1=CN=NC=C1 M12256 [2,0,0,0,0,0|2,0,0]=4 353 B10R1.15 COC(=O)C1=NC=CC=C1 M28469 [2,0,0,0,0,0|1,0,0]=3 354 B10R1.15 COC(=O)C1=NC=CC=N1 M3445 [2,0,0,0,0,0|2,0,0]=4 355 B10R1.15 COC(=O)C1=NC=CN=C1 M2717 [2,0,0,0,0,0|2,0,0]=4 356 B10R1.15 COC(=O)C1=NC=NC=C1 P0159 [2,0,0,0,0,0|2,0,0]=4 357 B10R1.15 COC(=O)C1=NN=CC=C1 M0217 [2,0,0,0,0,0|2,0,0]=4 358 B10R1.15 CO[S@@](=O)C1=CC=CC=C1 M46243 [2,0,0,0,0,0|1,0,0]=3 359 B10R1.15 NNC(=O)C1=CC=CC=C1 B69029 [2,0,0,0,0,0|2,0,0]=4 360 B10R1.15 O=C(CO)C1=CC=CC=C1 H67472 [2,0,0,0,0,0|2,0,0]=4 361 B10R1.15 O=CC(=O)C1=CC=CC=C1 P48113 [2,0,0,0,0,0|2,0,0]=4 362 B12R1.6 CNC1=CC=C(S(C)(=O)=O)C=C1 M49530 [1,1,0,0,0,0|2,0,0]=4 363 B12R1.6 COC1=CC=C(C(C)(C)C)C=C1 B54952 [1,1,0,0,0,0|1,0,1]=4 364 B12R1.6 COC1=CC=C(S(N)(=O)=O)C=C1 M46436 [1,1,0,0,0,0|1,0,1]=4 365 B12R1.48 C#CC1=C(C)C=C(C(=O)O)C=C1 E53795 [1,1,0,0,0,0|1,0,1]=4 366 B12R1.48 C#CC1=C(Cl)C=C(C(=O)O)C=C1 C50768 [1,1,0,0,0,0|1,0,1]=4 367 B12R1.48 C#CC1=C(F)C=C(C(=O)O)C=C1 E50773 [1,1,0,0,0,0|1,0,1]=4 368 B12R1.48 CC(=O)C1=CC(F)=C(C#N)C=C1 A61009 [1,1,0,0,0,0|2,0,0]=4 369 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=C1 C51177 [1,1,0,0,0,0|2,0,0]=4 370 B12R1.48 CCC1=C(Br)C=C(C(=O)O)C=C1 B36941 [1,1,0,0,0,0|1,0,0]=3 371 B12R1.48 CCC1=C(N)C=C(C(=O)O)C=C1 A50040 [1,1,0,0,0,0|1,0,0]=3 372 B12R1.48 CCN1C=CC(C(=O)O)=CC1=O E49341 [1,1,0,0,0,0|2,0,0]=4 373 B12R1.48 CNC1=C(N)C=C(C(=O)O)C=C1 A46677 [1,1,0,0,0,0|1,0,0]=3 374 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=C1 B48640 [1,1,0,0,0,0|0,0,0]=2 375 B12R1.48 COC1=C(Br)C=C(C(=O)O)C=N1 B45411 [1,1,0,0,0,0|1,0,0]=3 376 B12R1.48 COC1=C(Br)C=C(C(C)=O)C=C1 B51906 [1,1,0,0,0,0|0,0,0]=2 377 B12R1.48 COC1=C(Br)C=C([N+](=O)[O-])C=C1 B39390 [1,1,0,0,0,0|1,0,1]=4 378 B12R1.48 COC1=C(C)C=C(B(O)O)C=C1 M2759 [1,1,0,0,0,0|1,0,1]=4 379 B12R1.48 COC1=C(C)C=C(C(=O)O)C=C1 M49918 [1,1,0,0,0,0|0,0,0]=2 380 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 M52806 [1,1,0,0,0,0|0,0,0]=2 381 B12R1.48 COC1=C(C)C=C([N+](=O)[O-])C=C1 M49329 [1,1,0,0,0,0|1,0,1]=4 382 B12R1.48 COC1=C(Cl)C=C(B(O)O)C=C1 C2212 [1,1,0,0,0,0|1,0,1]=4 383 B12R1.48 COC1=C(Cl)C=C(C(=O)O)C=C1 C36658 [1,1,0,0,0,0|0,0,0]=2 384 B12R1.48 COC1=C(Cl)C=C(C(=O)O)N=C1 C13348 [1,1,0,0,0,0|1,0,0]=3 385 B12R1.48 COC1=C(F)C=C(B(O)O)C=C1 F3260 [1,1,0,0,0,0|1,0,1]=4 386 B12R1.48 COC1=C(F)C=C(C(=O)O)C=C1 F69026 [1,1,0,0,0,0|0,0,0]=2 387 B12R1.48 COC1=C(F)C=C(C(=O)O)C=N1 F45448 [1,1,0,0,0,0|1,0,0]=3 388 B12R1.48 COC1=C(F)C=C(C(C)=O)C=C1 F51937 [1,1,0,0,0,0|0,0,0]=2 389 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F52155 [1,1,0,0,0,0|1,0,1]=4 390 B12R1.48 COC1=C(F)C=C([C@H](C)N)C=C1 F63085 [1,1,0,0,0,0|1,0,1]=4 391 B12R1.48 COC1=C(F)C=C([N+](=O)[O-])C=C1 F45441 [1,1,0,0,0,0|1,0,1]=4 392 B12R1.48 COC1=C(I)C=C([N+](=O)[O-])C=C1 K69650 [1,1,0,0,0,0|1,0,1]=4 393 B12R1.48 COC1=C(N)C=C(C(=O)O)C=C1 A69041 [1,1,0,0,0,0|0,0,0]=2 394 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 M39427 [1,1,0,0,0,0|1,0,1]=4 395 B12R1.48 COC1=C(N)C=C([N+](=O)[O-])C=C1 M60757 [1,1,0,0,0,0|1,0,1]=4 396 B12R1.48 COC1=C(O)C=C([N+](=O)[O-])C=C1 M39400 [1,1,0,0,0,0|1,0,1]=4 397 B12R1.48 COC1=CC=C(C(=O)O)N=C1Br B45415 [1,1,0,0,0,0|1,0,0]=3 398 B12R1.48 N#CC1=C(Cl)C=C(C(=O)O)C=C1 C47394 [1,1,0,0,0,0|2,0,0]=4 399 B12R1.48 N#CC1=C(F)C=C(C(=O)O)C=C1 C47404 [1,1,0,0,0,0|2,0,0]=4 400 B12R1.48 N#CC1=C(N)C=C(C(=O)O)C=C1 A36828 [1,1,0,0,0,0|2,0,0]=4 401 B12R1.48 O=CC1=C(Br)C=C(C(=O)O)C=C1 B47798 [1,1,0,0,0,0|2,0,0]=4 402 B12R1.48 O=CC1=C(O)C=C(C(=O)O)C=C1 F48232 [1,1,0,0,0,0|2,0,0]=4 403 B12R1.113 CC#CC1=CC=C(C(=O)O)C=C1 P53794 [1,1,0,0,0,0|1,0,0]=3 404 B12R1.113 CCCC1=CC=C(C(=O)O)C=C1 P39602 [1,1,0,0,0,0|1,0,0]=3 405 B12R1.113 CCOC1=CC=C(B(O)O)C=C1 E3100 [1,1,0,0,0,0|1,0,1]=4 406 B12R1.113 CCOC1=CC=C(C(C)=O)C=C1 E52787 [1,1,0,0,0,0|0,0,0]=2 407 B12R1.113 CCOC1=CN=C(C(=O)O)C=C1 E49300 [1,1,0,0,0,0|1,0,0]=3 408 B12R1.113 CCOC1=CN=C(C(=O)O)C=N1 E46032 [1,1,0,0,0,0|2,0,0]=4 409 B12R1.113 O=C(O)C1=CC=C(CCBr)C=C1 B51878 [1,1,0,0,0,0|1,0,0]=3 410 B12R1.113 O=C(O)C1=CC=C(CCO)C=C1 H49916 [1,1,0,0,0,0|1,0,0]=3 411 B12R1.256 CC(=O)C1=CC=C(B(O)O)C=C1 A49401 [1,1,0,0,0,0|2,0,0]=4 412 B12R1.256 CC(=O)C1=CC=C(C(=O)O)C=C1 A67428 [1,1,0,0,0,0|1,0,0]=3 413 B12R1.256 CC(=O)C1=CC=C(N(C)C)C=C1 D39613 [1,1,0,0,0,0|1,0,0]=3 414 B12R1.256 CC(=O)C1=NC=C(C(C)C)C=C1 P52923 [1,1,0,0,0,0|2,0,0]=4 415 B12R1.256 CN(C)C1=NC=C(C(=O)O)C=C1 D64546 [1,1,0,0,0,0|2,0,0]=4 416 B12R1.256 C[C@@H](N)C1=CC=C(C(=O)O)C=C1 A52113 [1,1,0,0,0,0|1,0,0]=3 417 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A22822 [1,1,0,0,0,0|1,0,0]=3 418 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A50063 [1,1,0,0,0,0|1,0,0]=3 419 B12R1.256 C[C@H](N)C1=CC=C(C(=O)O)C=C1 A52114 [1,1,0,0,0,0|1,0,0]=3 420 B12R1.256 C[C@H](O)C1=CC=C(C(=O)O)C=C1 H49915 [1,1,0,0,0,0|1,0,0]=3 421 B12R1.256 C[C@H](O)C1=CC=C(C(N)=O)C=C1 H50041 [1,1,0,0,0,0|2,0,0]=4 422 B12R1.256 N=C(N)C1=CC=C(C(=O)O)C=C1 C38812 [1,1,0,0,0,0|2,0,0]=4 423 B12R1.256 O=C(O)C1=CC=C(B(O)O)C=C1 C2180 [1,1,0,0,0,0|2,0,0]=4 424 B12R1.256 O=C(O)C1=CC=C([N+](=O)[O-])C=C1 P67039 [1,1,0,0,0,0|2,0,0]=4 425 B12R1.452 C#CC1=CC(Cl)=C(C(=O)O)C=C1 C50767 [1,1,0,0,0,0|1,0,1]=4 426 B12R1.452 C#CC1=CC(F)=C(C(=O)O)C=C1 E50772 [1,1,0,0,0,0|1,0,1]=4 427 B12R1.452 CC1=C(C(=O)O)C=CC(C#N)=C1 C63687 [1,1,0,0,0,0|2,0,0]=4 428 B12R1.452 COC1=CC(Br)=C(C(=O)O)C=C1 B38494 [1,1,0,0,0,0|0,0,0]=2 429 B12R1.452 COC1=CC(Br)=C([N+](=O)[O-])C=C1 B45420 [1,1,0,0,0,0|1,0,1]=4 430 B12R1.452 COC1=CC(C)=C(B(O)O)C=C1 M4226 [1,1,0,0,0,0|1,0,1]=4 431 B12R1.452 COC1=CC(C)=C(C(=O)O)C=C1 M49917 [1,1,0,0,0,0|0,0,0]=2 432 B12R1.452 COC1=CC(C)=C([N+](=O)[O-])C=C1 M39518 [1,1,0,0,0,0|1,0,1]=4 433 B12R1.452 COC1=CC(Cl)=C(B(O)O)C=C1 C2208 [1,1,0,0,0,0|1,0,1]=4 434 B12R1.452 COC1=CC(Cl)=C(C(=O)O)C=C1 C68933 [1,1,0,0,0,0|0,0,0]=2 435 B12R1.452 COC1=CC(Cl)=C(C(=O)O)N=C1 C45433 [1,1,0,0,0,0|1,0,0]=3 436 B12R1.452 COC1=CC(Cl)=C(C(C)=O)C=C1 C51927 [1,1,0,0,0,0|0,0,0]=2 437 B12R1.452 COC1=CC(Cl)=C([N+](=O)[O-])C=C1 C45438 [1,1,0,0,0,0|1,0,1]=4 438 B12R1.452 COC1=CC(F)=C(B(O)O)C=C1 F3224 [1,1,0,0,0,0|1,0,1]=4 439 B12R1.452 COC1=CC(F)=C(C(=O)O)C=C1 F67517 [1,1,0,0,0,0|0,0,0]=2 440 B12R1.452 COC1=CC(F)=C(C(C)=O)C=C1 F15561 [1,1,0,0,0,0|0,0,0]=2 441 B12R1.452 COC1=CC(F)=C(C(C)C)C=C1 F15562 [1,1,0,0,0,0|1,0,1]=4 442 B12R1.452 COC1=CC(F)=C([C@H](C)N)C=C1 F52154 [1,1,0,0,0,0|1,0,1]=4 443 B12R1.452 COC1=CC(F)=C([N+](=O)[O-])C=C1 F38632 [1,1,0,0,0,0|1,0,1]=4 444 B12R1.452 COC1=CC(I)=C(C(=O)O)C=C1 K48689 [1,1,0,0,0,0|0,0,0]=2 445 B12R1.452 COC1=CC(I)=C([N+](=O)[O-])C=C1 K45457 [1,1,0,0,0,0|1,0,1]=4 446 B12R1.452 COC1=CC(N)=C(C(=O)O)C=C1 A10725 [1,1,0,0,0,0|0,0,0]=2 447 B12R1.452 COC1=CC(N)=C(C(=O)O)C=N1 A12851 [1,1,0,0,0,0|1,0,0]=3 448 B12R1.452 COC1=CC(N)=C(C(C)=O)C=C1 A61340 [1,1,0,0,0,0|0,0,0]=2 449 B12R1.452 COC1=CC(N)=C([N+](=O)[O-])C=C1 M46026 [1,1,0,0,0,0|1,0,1]=4 450 B12R1.452 COC1=CC(O)=C(C(=O)O)C=C1 H49115 [1,1,0,0,0,0|0,0,0]=2 451 B12R1.452 COC1=CC(O)=C(C(=O)[O-])C=C1 P46627 [1,1,0,0,0,0|0,0,1]=3 452 B12R1.452 COC1=CC(O)=C(C(C)=O)C=C1 H1583 [1,1,0,0,0,0|0,0,0]=2 453 B12R1.452 COC1=CC(O)=C([N+](=O)[O-])C=C1 M45859 [1,1,0,0,0,0|1,0,1]=4 454 B12R1.452 COC1=CC=C(C(=O)O)C(Cl)=N1 C45432 [1,1,0,0,0,0|1,0,0]=3 455 B12R1.452 COC1=CN=C(C(=O)O)C(N)=C1 A62991 [1,1,0,0,0,0|1,0,0]=3 456 B12R1.452 N#CC1=CC(Br)=C(C(=O)O)C=C1 B47384 [1,1,0,0,0,0|2,0,0]=4 457 B12R1.452 N#CC1=CC(Cl)=C(C(=O)O)C=C1 C16998 [1,1,0,0,0,0|2,0,0]=4 458 B12R1.452 N#CC1=CC(F)=C(C(=O)O)C=C1 C47403 [1,1,0,0,0,0|2,0,0]=4 459 B12R1.452 N#CC1=CC(I)=C(C(=O)O)C=C1 C47410 [1,1,0,0,0,0|2,0,0]=4 460 B12R1.452 NNC1=CC(Cl)=C(C(=O)O)C=C1 C45664 [1,1,0,0,0,0|2,0,0]=4 461 B12R1.452 O=C(O)C1=C(F)C=C(CO)C=C1 F63304 [1,1,0,0,0,0|2,0,0]=4 462 B12R1.452 O=CC1=CC(Cl)=C(C(=O)O)C=C1 C63482 [1,1,0,0,0,0|2,0,0]=4 463 B12R1.9 COS(=O)(=O)C1=CC=C(C)C=C1 M60773 [1,1,0,0,0,0|1,0,0]=3 464 B12R1.16 CC1=CC=C(C(=O)CCCl)C=C1 C68955 [1,1,0,0,0,0|1,0,0]=3 465 B12R1.16 CCCC(=O)C1=CC=C(F)C=C1 F52671 [1,1,0,0,0,0|2,0,0]=4 466 B12R1.16 CCCC(=O)C1=CC=C(O)C=C1 H52799 [1,1,0,0,0,0|1,0,0]=3 467 B12R1.16 CCOC(=O)C1=CC=C(C)C=C1 E69403 [1,1,0,0,0,0|0,0,0]=2 468 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 E68949 [1,1,0,0,0,0|1,0,0]=3 469 B12R1.16 CCOC(=O)C1=CC=C(F)C=C1 E69037 [1,1,0,0,0,0|1,0,0]=3 470 B12R1.16 CCOC(=O)C1=CC=C(I)C=C1 E39579 [1,1,0,0,0,0|1,0,0]=3 471 B12R1.16 CCOC(=O)C1=CN=C(Br)C=C1 E48903 [1,1,0,0,0,0|2,0,0]=4 472 B12R1.16 CCOC(=O)C1=CN=C(C)C=C1 E10450 [1,1,0,0,0,0|1,0,0]=3 473 B12R1.16 CCOC(=O)C1=CN=C(C)N=C1 E7684 [1,1,0,0,0,0|2,0,0]=4 474 B12R1.16 CCOC(=O)C1=CN=C(Cl)C=C1 E39503 [1,1,0,0,0,0|2,0,0]=4 475 B12R1.16 CCOC(=O)C1=CN=C(N)C=C1 E3775 [1,1,0,0,0,0|2,0,0]=4 476 B12R1.16 CCOC(=O)C1=CN=C(O)C=C1 E49308 [1,1,0,0,0,0|1,0,0]=3 477 B12R1.16 CCOC(=O)C1=CN=C(O)N=C1 E46039 [1,1,0,0,0,0|2,0,0]=4 478 B12R1.16 CCOC(=O)C1=NC=C(Br)C=C1 E38711 [1,1,0,0,0,0|2,0,0]=4 479 B12R1.16 CCOC(=O)C1=NC=C(C)C=C1 E50035 [1,1,0,0,0,0|1,0,0]=3 480 B12R1.16 CCOC(=O)C1=NC=C(C)N=C1 E46680 [1,1,0,0,0,0|2,0,0]=4 481 B12R1.16 CCOC(=O)C1=NC=C(Cl)C=C1 E48935 [1,1,0,0,0,0|2,0,0]=4 482 B12R1.16 COCC(=O)C1=CC=C(O)C=C1 H49931 [1,1,0,0,0,0|0,0,0]=2 483 B12R1.16 O=C(CCCl)C1=CC=C(Br)C=C1 B51653 [1,1,0,0,0,0|2,0,0]=4 484 B12R1.16 O=C(CCCl)C1=CC=C(F)C=C1 C51659 [1,1,0,0,0,0|2,0,0]=4 485 B12R1.20 CC(C)C(=O)C1=CC=C(Cl)C=C1 C52670 [1,1,0,0,0,0|2,0,0]=4 486 B12R1.20 CN(C)C(=O)C1=CC=C(Br)C=C1 B49852 [1,1,0,0,0,0|2,0,0]=4 487 B12R1.20 CN(C)C(=O)C1=CC=C(Cl)C=C1 C49857 [1,1,0,0,0,0|2,0,0]=4 488 B12R1.20 CN(C)C(=O)C1=CC=C(F)C=C1 F49863 [1,1,0,0,0,0|2,0,0]=4 489 B12R1.20 CN(C)C(=O)C1=CC=C(N)C=C1 A50174 [1,1,0,0,0,0|2,0,0]=4 490 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(Br)C=C1 B68482 [1,1,0,0,0,0|2,0,0]=4 491 B12R1.20 C[C@H](Br)C(=O)C1=CC=C(O)C=C1 B51910 [1,1,0,0,0,0|1,0,0]=3 492 B12R1.367 CCC(=O)C1=CC(C)=C(C)C=C1 D54760 [1,1,0,0,0,0|1,0,0]=3 493 B12R1.367 CCC(=O)C1=CC(Cl)=C(Cl)C=C1 D51656 [1,1,0,0,0,0|2,0,0]=4 494 B12R1.367 CCC(=O)C1=CC(F)=C(F)C=C1 D51660 [1,1,0,0,0,0|2,0,0]=4 495 B12R1.367 COC(=O)C1=CC(=O)N(C)C=C1 M7544 [1,1,0,0,0,0|1,0,0]=3 496 B12R1.367 COC(=O)C1=CC(Br)=C(C)C=C1 M51896 [1,1,0,0,0,0|0,0,0]=2 497 B12R1.367 COC(=O)C1=CC(Br)=C(Cl)C=C1 M48123 [1,1,0,0,0,0|1,0,0]=3 498 B12R1.367 COC(=O)C1=CC(Br)=C(Cl)N=C1 M44940 [1,1,0,0,0,0|2,0,0]=4 499 B12R1.367 COC(=O)C1=CC(Br)=C(F)C=C1 M48132 [1,1,0,0,0,0|1,0,0]=3 500 B12R1.367 COC(=O)C1=CC(Br)=C(F)N=C1 M23554 [1,1,0,0,0,0|2,0,0]=4 501 B12R1.367 COC(=O)C1=CC(Br)=C(I)C=C1 M48157 [1,1,0,0,0,0|1,0,0]=3 502 B12R1.367 COC(=O)C1=CC(Br)=C(N)C=C1 M48912 [1,1,0,0,0,0|1,0,0]=3 503 B12R1.367 COC(=O)C1=CC(Br)=C(N)N=C1 M45638 [1,1,0,0,0,0|2,0,0]=4 504 B12R1.367 COC(=O)C1=CC(Br)=C(O)C=C1 M48645 [1,1,0,0,0,0|0,0,0]=2 505 B12R1.367 COC(=O)C1=CC(Br)=C(O)N=C1 M62090 [1,1,0,0,0,0|1,0,0]=3 506 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 M51899 [1,1,0,0,0,0|1,0,0]=3 507 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=N1 M26172 [1,1,0,0,0,0|2,0,0]=4 508 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 M51925 [1,1,0,0,0,0|1,0,0]=3 509 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 M51943 [1,1,0,0,0,0|1,0,0]=3 510 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 M51963 [1,1,0,0,0,0|1,0,0]=3 511 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 M9471 [1,1,0,0,0,0|1,0,0]=3 512 B12R1.367 COC(=O)C1=CC(C)=C(O)C=C1 M49925 [1,1,0,0,0,0|0,0,0]=2 513 B12R1.367 COC(=O)C1=CC(Cl)=C(Br)C=C1 M61234 [1,1,0,0,0,0|1,0,0]=3 514 B12R1.367 COC(=O)C1=CC(Cl)=C(C)C=N1 M16577 [1,1,0,0,0,0|1,0,0]=3 515 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)C=N1 M44958 [1,1,0,0,0,0|2,0,0]=4 516 B12R1.367 COC(=O)C1=CC(Cl)=C(F)C=C1 M48165 [1,1,0,0,0,0|1,0,0]=3 517 B12R1.367 COC(=O)C1=CC(Cl)=C(N)C=C1 M48942 [1,1,0,0,0,0|1,0,0]=3 518 B12R1.367 COC(=O)C1=CC(Cl)=C(O)C=C1 M48662 [1,1,0,0,0,0|0,0,0]=2 519 B12R1.367 COC(=O)C1=CC(F)=C(Br)C=C1 M48135 [1,1,0,0,0,0|1,0,0]=3 520 B12R1.367 COC(=O)C1=CC(F)=C(C)C=C1 M51942 [1,1,0,0,0,0|0,0,0]=2 521 B12R1.367 COC(=O)C1=CC(F)=C(Cl)C=C1 M48168 [1,1,0,0,0,0|1,0,0]=3 522 B12R1.367 COC(=O)C1=CC(F)=C(F)C=C1 M39474 [1,1,0,0,0,0|1,0,0]=3 523 B12R1.367 COC(=O)C1=CC(F)=C(I)C=C1 M48205 [1,1,0,0,0,0|1,0,0]=3 524 B12R1.367 COC(=O)C1=CC(F)=C(N)C=C1 M48969 [1,1,0,0,0,0|1,0,0]=3 525 B12R1.367 COC(=O)C1=CC(F)=C(O)C=C1 M48682 [1,1,0,0,0,0|0,0,0]=2 526 B12R1.367 COC(=O)C1=CC(I)=C(C)C=C1 M51961 [1,1,0,0,0,0|0,0,0]=2 527 B12R1.367 COC(=O)C1=CC(I)=C(Cl)C=C1 M63038 [1,1,0,0,0,0|1,0,0]=3 528 B12R1.367 COC(=O)C1=CC(I)=C(N)C=C1 M37851 [1,1,0,0,0,0|1,0,0]=3 529 B12R1.367 COC(=O)C1=CC(I)=C(O)C=C1 M48696 [1,1,0,0,0,0|0,0,0]=2 530 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 M48909 [1,1,0,0,0,0|1,0,0]=3 531 B12R1.367 COC(=O)C1=CC(N)=C(C)C=C1 M9472 [1,1,0,0,0,0|0,0,0]=2 532 B12R1.367 COC(=O)C1=CC(N)=C(Cl)C=C1 M68943 [1,1,0,0,0,0|1,0,0]=3 533 B12R1.367 COC(=O)C1=CC(N)=C(F)C=C1 M48966 [1,1,0,0,0,0|1,0,0]=3 534 B12R1.367 COC(=O)C1=CC(N)=C(F)C=N1 M37121 [1,1,0,0,0,0|2,0,0]=4 535 B12R1.367 COC(=O)C1=CC(N)=C(I)C=C1 M48978 [1,1,0,0,0,0|1,0,0]=3 536 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 M46666 [1,1,0,0,0,0|1,0,0]=3 537 B12R1.367 COC(=O)C1=CC(N)=C(O)C=C1 M38011 [1,1,0,0,0,0|0,0,0]=2 538 B12R1.367 COC(=O)C1=CC(O)=C(Br)C=C1 M48646 [1,1,0,0,0,0|1,0,0]=3 539 B12R1.367 COC(=O)C1=CC(O)=C(Cl)C=C1 M48664 [1,1,0,0,0,0|1,0,0]=3 540 B12R1.367 COC(=O)C1=CC(O)=C(I)C=C1 M48695 [1,1,0,0,0,0|1,0,0]=3 541 B12R1.367 COC(=O)C1=CC(O)=C(N)C=C1 M38523 [1,1,0,0,0,0|1,0,0]=3 542 B12R1.367 COC(=O)C1=CC=C(C)C(Br)=N1 M48920 [1,1,0,0,0,0|1,0,0]=3 543 B12R1.367 COC(=O)C1=CC=C(C)C(Cl)=N1 M48950 [1,1,0,0,0,0|1,0,0]=3 544 B12R1.367 COC(=O)C1=CC=C(Cl)C(Cl)=N1 M37389 [1,1,0,0,0,0|2,0,0]=4 545 B12R1.367 COC(=O)C1=CC=C(F)C(Br)=N1 M32366 [1,1,0,0,0,0|2,0,0]=4 546 B12R1.367 COC(=O)C1=CC=C(F)C(Cl)=N1 M44972 [1,1,0,0,0,0|2,0,0]=4 547 B12R1.367 COC(=O)C1=CN(C)C(=O)C=C1 M1648 [1,1,0,0,0,0|1,0,1]=4 548 B12R1.367 COC(=O)C1=CN=C(Br)C(C)=C1 M37456 [1,1,0,0,0,0|2,0,0]=4 549 B12R1.367 COC(=O)C1=CN=C(C)C(Br)=N1 M45644 [1,1,0,0,0,0|2,0,0]=4 550 B12R1.367 COC(=O)C1=CN=C(Cl)C(C)=C1 M48949 [1,1,0,0,0,0|2,0,0]=4 551 B12R1.367 COC(=O)C1=CN=C(Cl)C(Cl)=C1 M44959 [1,1,0,0,0,0|2,0,0]=4 552 B12R1.367 COC(=O)C1=CN=C(Cl)C(N)=C1 M45653 [1,1,0,0,0,0|2,0,0]=4 553 B12R1.367 COC(=O)C1=CN=C(Cl)C(O)=C1 M39050 [1,1,0,0,0,0|2,0,0]=4 554 B12R1.367 COC(=O)C1=CN=C(N)C(C)=C1 M63585 [1,1,0,0,0,0|2,0,0]=4 555 B12R1.367 COC(=O)C1=CN=C(N)C(O)=C1 M46034 [1,1,0,0,0,0|2,0,0]=4 556 B12R1.367 COC(=O)C1=CNC(=O)C(O)=C1 M19066 [1,1,0,0,0,0|1,0,1]=4 557 B12R1.367 COC(=O)C1=COC(=O)C(Br)=C1 M38929 [1,1,0,0,0,0|1,0,1]=4 558 B12R1.367 COC(=O)C1=NC(C)=C(F)C=C1 M29575 [1,1,0,0,0,0|2,0,0]=4 559 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 M44941 [1,1,0,0,0,0|2,0,0]=4 560 B12R1.367 COC(=O)C1=NC(N)=C(Br)C=C1 M32000 [1,1,0,0,0,0|2,0,0]=4 561 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 M7768 [1,1,0,0,0,0|1,0,0]=3 562 B12R1.367 COC(=O)C1=NC=C(N)C(C)=C1 M8118 [1,1,0,0,0,0|2,0,0]=4 563 B12R1.367 COC(=O)C1=NC=C(N)C(N)=C1 M46343 [1,1,0,0,0,0|2,0,0]=4 564 B12R1.367 COC(=O)C1=NC=C(O)C(O)=C1 D7769 [1,1,0,0,0,0|1,0,0]=3 565 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 C39498 [1,1,0,0,0,0|2,0,0]=4 566 B12R1.1703 CCC(=O)C1=C(Cl)C=C(Cl)C=C1 D51655 [1,1,0,0,0,0|2,0,0]=4 567 B12R1.1703 CCC(=O)C1=C(F)C=C(Br)C=C1 B51654 [1,1,0,0,0,0|2,0,0]=4 568 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 B48548 [1,1,0,0,0,0|2,0,0]=4 569 B12R1.1703 CNC(=O)C1=C(F)C=C(N)C=C1 A26447 [1,1,0,0,0,0|2,0,0]=4 570 B12R1.1703 COC(=O)C1=C(Br)C=C(Br)C=C1 M48114 [1,1,0,0,0,0|1,0,0]=3 571 B12R1.1703 COC(=O)C1=C(Br)C=C(C)C=C1 M51893 [1,1,0,0,0,0|0,0,0]=2 572 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)C=C1 M24338 [1,1,0,0,0,0|1,0,0]=3 573 B12R1.1703 COC(=O)C1=C(Br)C=C(Cl)N=C1 M61356 [1,1,0,0,0,0|2,0,0]=4 574 B12R1.1703 COC(=O)C1=C(Br)C=C(F)C=C1 M48129 [1,1,0,0,0,0|1,0,0]=3 575 B12R1.1703 COC(=O)C1=C(Br)C=C(N)C=C1 M48911 [1,1,0,0,0,0|1,0,0]=3 576 B12R1.1703 COC(=O)C1=C(C)C=C(Br)C=C1 M51898 [1,1,0,0,0,0|1,0,0]=3 577 B12R1.1703 COC(=O)C1=C(C)C=C(C)C=C1 M52792 [1,1,0,0,0,0|0,0,0]=2 578 B12R1.1703 COC(=O)C1=C(C)C=C(F)C=C1 M37927 [1,1,0,0,0,0|1,0,0]=3 579 B12R1.1703 COC(=O)C1=C(C)C=C(I)C=C1 M51962 [1,1,0,0,0,0|1,0,0]=3 580 B12R1.1703 COC(=O)C1=C(C)C=C(N)C=C1 M50061 [1,1,0,0,0,0|1,0,0]=3 581 B12R1.1703 COC(=O)C1=C(C)C=C(O)C=C1 M49924 [1,1,0,0,0,0|0,0,0]=2 582 B12R1.1703 COC(=O)C1=C(C)N=C(Cl)C=C1 M48947 [1,1,0,0,0,0|2,0,0]=4 583 B12R1.1703 COC(=O)C1=C(C)N=C(F)C=C1 M48974 [1,1,0,0,0,0|2,0,0]=4 584 B12R1.1703 COC(=O)C1=C(C)N=C(N)C=C1 M62058 [1,1,0,0,0,0|2,0,0]=4 585 B12R1.1703 COC(=O)C1=C(Cl)C=C(Br)C=C1 M48125 [1,1,0,0,0,0|1,0,0]=3 586 B12R1.1703 COC(=O)C1=C(Cl)C=C(F)C=C1 M0648 [1,1,0,0,0,0|1,0,0]=3 587 B12R1.1703 COC(=O)C1=C(Cl)C=C(I)C=C1 M63034 [1,1,0,0,0,0|1,0,0]=3 588 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)C=C1 M48941 [1,1,0,0,0,0|1,0,0]=3 589 B12R1.1703 COC(=O)C1=C(Cl)C=C(N)N=C1 M45655 [1,1,0,0,0,0|2,0,0]=4 590 B12R1.1703 COC(=O)C1=C(Cl)C=C(O)C=C1 M37057 [1,1,0,0,0,0|0,0,0]=2 591 B12R1.1703 COC(=O)C1=C(F)C=C(Br)C=C1 M48134 [1,1,0,0,0,0|1,0,0]=3 592 B12R1.1703 COC(=O)C1=C(F)C=C(Cl)C=C1 M48167 [1,1,0,0,0,0|1,0,0]=3 593 B12R1.1703 COC(=O)C1=C(F)C=C(F)C=C1 M48184 [1,1,0,0,0,0|1,0,0]=3 594 B12R1.1703 COC(=O)C1=C(F)C=C(I)C=C1 M48204 [1,1,0,0,0,0|1,0,0]=3 595 B12R1.1703 COC(=O)C1=C(F)C=C(N)C=C1 M48968 [1,1,0,0,0,0|1,0,0]=3 596 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=C1 M48678 [1,1,0,0,0,0|0,0,0]=2 597 B12R1.1703 COC(=O)C1=C(F)C=C(O)C=N1 M18103 [1,1,0,0,0,0|1,0,0]=3 598 B12R1.1703 COC(=O)C1=C(F)N=C(Cl)C=C1 M44971 [1,1,0,0,0,0|2,0,0]=4 599 B12R1.1703 COC(=O)C1=C(I)C=C(Br)C=C1 M63704 [1,1,0,0,0,0|1,0,0]=3 600 B12R1.1703 COC(=O)C1=C(I)C=C(Cl)C=C1 M48182 [1,1,0,0,0,0|1,0,0]=3 601 B12R1.1703 COC(=O)C1=C(N)C=C(Br)C=C1 M48907 [1,1,0,0,0,0|1,0,0]=3 602 B12R1.1703 COC(=O)C1=C(N)C=C(C)C=C1 M60968 [1,1,0,0,0,0|0,0,0]=2 603 B12R1.1703 COC(=O)C1=C(N)C=C(C)N=C1 M39076 [1,1,0,0,0,0|1,0,0]=3 604 B12R1.1703 COC(=O)C1=C(N)C=C(F)C=C1 M27962 [1,1,0,0,0,0|1,0,0]=3 605 B12R1.1703 COC(=O)C1=C(N)C=C(I)C=C1 M36798 [1,1,0,0,0,0|1,0,0]=3 606 B12R1.1703 COC(=O)C1=C(N)C=C(O)C=C1 M49327 [1,1,0,0,0,0|0,0,0]=2 607 B12R1.1703 COC(=O)C1=C(N)N=C(Cl)C=C1 M0416 [1,1,0,0,0,0|2,0,0]=4 608 B12R1.1703 COC(=O)C1=C(O)C=C(Br)C=C1 M36676 [1,1,0,0,0,0|1,0,0]=3 609 B12R1.1703 COC(=O)C1=C(O)C=C(C)C=C1 M69045 [1,1,0,0,0,0|0,0,0]=2 610 B12R1.1703 COC(=O)C1=C(O)C=C(Cl)C=C1 M48663 [1,1,0,0,0,0|1,0,0]=3 611 B12R1.1703 COC(=O)C1=C(O)C=C(F)C=C1 M48683 [1,1,0,0,0,0|1,0,0]=3 612 B12R1.1703 COC(=O)C1=C(O)C=C(I)C=C1 M48694 [1,1,0,0,0,0|1,0,0]=3 613 B12R1.1703 COC(=O)C1=C(O)C=C(N)C=C1 M69042 [1,1,0,0,0,0|1,0,0]=3 614 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 M39507 [1,1,0,0,0,0|0,0,0]=2 615 B12R1.1703 COC(=O)C1=C(O)C=C(O)N=C1 M45860 [1,1,0,0,0,0|1,0,0]=3 616 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Br M48919 [1,1,0,0,0,0|1,0,0]=3 617 B12R1.1703 COC(=O)C1=CC=C(C)N=C1Cl M24115 [1,1,0,0,0,0|1,0,0]=3 618 B12R1.1703 COC(=O)C1=CC=C(Cl)N=C1Cl M39047 [1,1,0,0,0,0|2,0,0]=4 619 B12R1.1703 COC(=O)C1=CN=C(Br)C=C1Cl M37160 [1,1,0,0,0,0|2,0,0]=4 620 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1C M37333 [1,1,0,0,0,0|2,0,0]=4 621 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1Cl M12929 [1,1,0,0,0,0|2,0,0]=4 622 B12R1.1703 COC(=O)C1=CN=C(Cl)C=C1N M37162 [1,1,0,0,0,0|2,0,0]=4 623 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1C M22333 [1,1,0,0,0,0|2,0,0]=4 624 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1Cl M17584 [1,1,0,0,0,0|2,0,0]=4 625 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1F M10783 [1,1,0,0,0,0|2,0,0]=4 626 B12R1.1703 COC(=O)C1=NC=C(Br)C=C1N M10300 [1,1,0,0,0,0|2,0,0]=4 627 B12R1.1703 COC(=O)C1=NC=C(C)N=C1Cl M39043 [1,1,0,0,0,0|2,0,0]=4 628 B12R1.1703 COC(=O)C1=NC=C(F)C=C1C M18811 [1,1,0,0,0,0|2,0,0]=4 629 B12R1.4 COC1=CC=C(CC(C)=O)C=C1 M39603 [1,1,0,0,0,0|1,0,1]=4 630 B12R1.71 CCNCC1=CC=C(OC)C=C1 M53139 [1,1,0,0,0,0|1,0,1]=4 631 B12R1.71 COC1=CC=C(CCCN)C=C1 M53143 [1,1,0,0,0,0|1,0,1]=4 632 B12R1.71 COC1=CC=C(OCCN)C=C1 M50362 [1,1,0,0,0,0|2,0,0]=4 633 B12R1.63 COC(=O)C1=NN(C)C(OC)=C1 M43680 [0,1,0,0,1,0|2,0,0]=4 634 B12R1.179 COC(=O)C1=CC=C(CCO)S1 M46854 [0,1,0,0,1,0|2,0,0]=4 635 B12R1.608 COC(=O)C1=CC(OC)=NN1C M43679 [0,1,0,0,1,0|2,0,0]=4 636 B14R1.954 CCOC(=O)CC1=CC=C(C#N)C=C1 E67596 [0,1,0,0,0,1|2,0,0]=4 637 B14R1.954 CCOC(=O)CC1=CC=C(C=O)C=C1 E39063 [0,1,0,0,0,1|2,0,0]=4 638 B14R1.954 CCOC(=O)CC1=CC=C(CN)C=C1 A3089 [0,1,0,0,0,1|2,0,0]=4 639 B14R1.954 CCOC(=O)CC1=CC=C(OC)C=C1 E54790 [0,1,0,0,0,1|0,0,0]=2 640 B14R1.2879 COC(=O)CC1=CC=C(B(O)O)C=C1 M38807 [0,1,0,0,0,1|2,0,0]=4 641 B14R1.2879 COC(=O)CC1=CC=C(C(=O)O)C=C1 M52480 [0,1,0,0,0,1|2,0,0]=4 642 B14R1.2879 COC(=O)CC1=CC=C([N+](=O)[O-])C=C1 M51834 [0,1,0,0,0,1|2,0,0]=4 643 B14R1.212 COC1=CC=C(C(=O)C(F)(F)F)C=C1 T51269 [0,2,0,0,0,0|2,0,0]=4 644 B14R1.6402 CC(=O)C1=CC=C(C(=O)N(C)C)C=C1 A54642 [0,2,0,0,0,0|2,0,0]=4 645 B14R1.579 COC(=O)C1=C(Cl)C=C(C#N)C=C1Cl M50752 [0,2,0,0,0,0|2,0,0]=4 646 B14R1.579 COC(=O)C1=C(F)C=C(OC)C=C1F M51634 [0,2,0,0,0,0|0,0,0]=2 647 B14R1.1128 COC(=O)C1=C(C)C=C([NH+](=O)[O-])C=C1 M24618 [0,2,0,0,0,0|2,0,0]=4 648 B14R1.1128 COC(=O)C1=C(Cl)C=C(B(O)O)C=C1 C49122 [0,2,0,0,0,0|2,0,0]=4 649 B14R1.1128 COC(=O)C1=C(Cl)C=C(C(=O)O)C=C1 C51306 [0,2,0,0,0,0|2,0,0]=4 650 B14R1.1128 COC(=O)C1=C(F)C=C(B(O)O)C=C1 F3218 [0,2,0,0,0,0|2,0,0]=4 651 B14R1.1128 COC(=O)C1=C(F)C=C(C(=O)O)C=C1 F51308 [0,2,0,0,0,0|2,0,0]=4 652 B14R1.1128 COC(=O)C1=C(F)C=C([N+](=O)[O-])C=C1 M48046 [0,2,0,0,0,0|2,0,0]=4 653 B14R1.1128 COC(=O)C1=C(O)C=C(C(C)=O)C=C1 M52476 [0,2,0,0,0,0|1,0,0]=3 654 B14R1.2294 COC(=O)C1=CC(Br)=C(OC)C=C1C M52657 [0,2,0,0,0,0|0,0,0]=2 655 B14R1.2294 COC(=O)C1=CC(Br)=C(OC)C=C1N M49844 [0,2,0,0,0,0|0,0,0]=2 656 B14R1.2294 COC(=O)C1=CC(Br)=C(OC)C=C1O M52010 [0,2,0,0,0,0|0,0,0]=2 657 B14R1.2294 COC(=O)C1=CC(Cl)=C(OC)C=C1N M49845 [0,2,0,0,0,0|0,0,0]=2 658 B14R1.2294 COC(=O)C1=CC(F)=C(CBr)C=C1F M51253 [0,2,0,0,0,0|2,0,0]=4 659 B14R1.2294 COC(=O)C1=CC(F)=C(OC)N=C1Cl M0637 [0,2,0,0,0,0|1,0,0]=3 660 B14R1.2316 COC(=O)C1=C(C)C(Br)=C(OC)C=C1 M63777 [0,2,0,0,0,0|0,0,0]=2 661 B14R1.2334 COC(=O)C1=C(CBr)C=C(OC)C=C1 M38139 [0,2,0,0,0,0|0,0,0]=2 662 B14R1.2334 COC(=O)C1=C(OC)C=C(C#N)C=C1 M53957 [0,2,0,0,0,0|2,0,0]=4 663 B14R1.2334 COC(=O)C1=C(OC)C=C(CBr)C=C1 M39024 [0,2,0,0,0,0|2,0,0]=4 664 B14R1.2334 COC(=O)C1=C(OC)N=C(OC)C=C1 M50106 [0,2,0,0,0,0|1,0,0]=3 665 B14R1.7234 CCOC(=O)C1=CN=C(OC)N=C1Cl E69589 [0,2,0,0,0,0|2,0,0]=4 666 B14R1.65 COC(=O)C1=CC=C(C#CCO)C=C1 M54353 [0,2,0,0,0,0|1,0,0]=3 667 B14R1.65 COC(=O)C1=CC=C(CCCBr)C=C1 M54668 [0,2,0,0,0,0|1,0,0]=3 668 B14R1.717 COC(=O)C1=CC=C(CC(=O)O)C=C1 M52487 [0,2,0,0,0,0|1,0,1]=4 669 B14R1.717 COC(=O)C1=NC=C(OC(F)F)C=C1 M62645 [0,2,0,0,0,0|1,0,0]=3 670 B14R1.718 COC(=O)C1=CC=C(C(=N)NO)C=C1 M36977 [0,2,0,0,0,0|2,0,0]=4 671 B14R1.718 COC(=O)C1=CC=C(C(=O)CBr)C=C1 M54021 [0,2,0,0,0,0|1,0,0]=3 672 B14R1.718 COC(=O)C1=CC=C([C@@H](N)CO)C=C1 M54171 [0,2,0,0,0,0|1,0,0]=3 673 B14R1.718 COC(=O)C1=CN=C(C(=O)OC)C=C1 D26049 [0,2,0,0,0,0|1,0,0]=3 674 B14R1.718 COC(=O)C1=CN=C(C(=O)OC)C=N1 D65368 [0,2,0,0,0,0|2,0,0]=4 675 B14R1.6720 CCOC1=C(Cl)C=C(C(=O)OC)C=C1 M62859 [0,2,0,0,0,0|0,0,0]=2 676 B14R1.6720 COC(=O)C1=CC(F)=C(NC=O)C=C1 M65583 [0,2,0,0,0,0|1,0,1]=4 677 B14R1.610 CCOC(=O)C1=CC=C(B(O)O)C=C1 E3040 [0,2,0,0,0,0|2,0,0]=4 678 B14R1.610 CCOC(=O)C1=CC=C(C(C)=O)C=C1 E54569 [0,2,0,0,0,0|1,0,0]=3 679 B14R1.610 CCOC(=O)C1=CC=C(N(C)C)C=C1 E61025 [0,2,0,0,0,0|1,0,0]=3 680 B14R1.610 CCOC(=O)C1=CC=C([C@H](C)N)C=C1 E65390 [0,2,0,0,0,0|1,0,0]=3 681 B14R1.628 CCOC(=O)C1=CC(Br)=C(C#N)C=C1 E53743 [0,2,0,0,0,0|2,0,0]=4 682 B14R1.628 CCOC(=O)C1=CC(Cl)=C(C=O)C=C1 E54023 [0,2,0,0,0,0|2,0,0]=4 683 B14R1.628 CCOC(=O)C1=CC(F)=C(C#N)C=C1 E64593 [0,2,0,0,0,0|2,0,0]=4 684 B14R1.628 CCOC(=O)C1=CC(F)=C(C=O)C=C1 E54027 [0,2,0,0,0,0|2,0,0]=4 685 B14R1.628 CCOC(=O)C1=CC(I)=C(OC)C=C1 E63032 [0,2,0,0,0,0|0,0,0]=2 686 B14R1.628 CCOC(=O)C1=CC(N)=C(NC)C=C1 E53050 [0,2,0,0,0,0|1,0,0]=3 687 B14R1.719 COC(=O)C1=CC=C(C(F)(F)F)C=C1 M68792 [0,2,0,0,0,0|2,0,0]=4 688 B14R1.719 COC(=O)C1=CC=C(S(=O)(=O)Cl)C=C1 M48701 [0,2,0,0,0,0|1,1,0]=4 689 B14R1.719 COC(=O)C1=CC=C(S(C)(=O)=O)C=C1 M49953 [0,2,0,0,0,0|0,1,0]=3 690 B14R1.719 COC(=O)C1=CC=C(S(N)(=O)=O)C=C1 M49360 [0,2,0,0,0,0|1,1,0]=4 691 B14R1.719 COC(=O)C1=NC=C(S(C)(=O)=O)C=C1 M17386 [0,2,0,0,0,0|1,1,0]=4 692 B14R1.747 COC(=O)C1=CC(Br)=C(C(=O)O)C=C1 B51302 [0,2,0,0,0,0|2,0,0]=4 693 B14R1.747 COC(=O)C1=CC(Br)=C(C(C)C)C=C1 M54671 [0,2,0,0,0,0|1,0,0]=3 694 B14R1.747 COC(=O)C1=CC(Br)=C([N+](=O)[O-])C=C1 M48035 [0,2,0,0,0,0|2,0,0]=4 695 B14R1.747 COC(=O)C1=CC(C)=C(B(O)O)C=C1 M50139 [0,2,0,0,0,0|2,0,0]=4 696 B14R1.747 COC(=O)C1=CC(C)=C([N+](=O)[O-])C=C1 M1589 [0,2,0,0,0,0|2,0,0]=4 697 B14R1.747 COC(=O)C1=CC(Cl)=C(B(O)O)C=C1 C49121 [0,2,0,0,0,0|2,0,0]=4 698 B14R1.747 COC(=O)C1=CC(Cl)=C(C(=O)O)C=C1 C38997 [0,2,0,0,0,0|2,0,0]=4 699 B14R1.747 COC(=O)C1=CC(F)=C(B(O)O)C=C1 F24469 [0,2,0,0,0,0|2,0,0]=4 700 B14R1.747 COC(=O)C1=CC(F)=C([N+](=O)[O-])C=C1 M48048 [0,2,0,0,0,0|2,0,0]=4 701 B14R1.747 COC(=O)C1=CC(N)=C(B(O)O)C=C1 A1220 [0,2,0,0,0,0|2,0,0]=4 702 B14R1.747 COC(=O)C1=CC(N)=C(C(=O)O)C=C1 A51848 [0,2,0,0,0,0|2,0,0]=4 703 B14R1.747 COC(=O)C1=CC(N)=C([N+](=O)[O-])C=C1 M48840 [0,2,0,0,0,0|2,0,0]=4 704 B14R1.747 COC(=O)C1=CC(O)=C([N+](=O)[O-])C=C1 M48537 [0,2,0,0,0,0|2,0,0]=4 705 B14R1.1864 CCC(=O)C1=CC(OC)=C(OC)C=C1 D54796 [0,2,0,0,0,0|1,0,0]=3 706 B14R1.1864 COC(=O)C1=CC(C=O)=C(OC)C=C1 M60502 [0,2,0,0,0,0|0,0,0]=2 707 B14R1.1864 COC(=O)C1=CC(CBr)=C(OC)C=C1 M37767 [0,2,0,0,0,0|0,0,0]=2 708 B14R1.1864 COC(=O)C1=CC(OC)=C(C=O)C=C1 M52477 [0,2,0,0,0,0|2,0,0]=4 709 B14R1.1864 COC(=O)C1=CC(OC)=C(CBr)C=C1 M38545 [0,2,0,0,0,0|2,0,0]=4 710 B14R1.1864 COC(=O)C1=CC(OC)=C(OC)C=C1 M52852 [0,2,0,0,0,0|0,0,0]=2 711 B14R1.1864 COC1=C(OC)C=C(C(=O)CBr)C=C1 D0755 [0,2,0,0,0,0|2,0,0]=4 712 B14R1.12512 COC(=O)C1=CC(F)=C(C=O)C(F)=C1 M50998 [0,2,0,0,0,0|2,0,0]=4 713 B12R1.24 COC(=O)C1=C(Br)C(C)=CC=C1 M51892 [0,0,1,1,0,0|2,0,0]=4 714 B12R1.24 COC(=O)C1=C(C)C(C)=CC=C1 M52791 [0,0,1,1,0,0|1,0,1]=4 715 B12R1.24 COC(=O)C1=C(Cl)C(C)=CC=C1 M51923 [0,0,1,1,0,0|2,0,0]=4 716 B12R1.24 COC(=O)C1=C(F)C(C)=CC=C1 M51940 [0,0,1,1,0,0|2,0,0]=4 717 B12R1.24 COC(=O)C1=C(N)C(C)=CC=C1 M1588 [0,0,1,1,0,0|2,0,0]=4 718 B12R1.24 COC(=O)C1=CC=CN(C)C1=O M12398 [0,0,1,1,0,0|2,0,0]=4 719 B12R1.78 COC1=NC(OC)=C(C=O)C=C1 F2597 [0,0,1,1,0,0|2,0,0]=4 720 B12R2.1384 O=C(O)C1=CC2=C(C=C1)CC2 B51559 [1,0,0,1,0,0|1,0,0]=3 721 B12R2.612 CC1=CC2=C(C=C1)C(=O)CC2 M52405 [1,0,0,1,0,0|1,0,0]=3 722 B12R2.612 CC1=CC2=C(C=C1)C(=O)NO2 M48466 [1,0,0,1,0,0|2,0,0]=4 723 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 M51553 [1,0,0,1,0,0|0,0,0]=2 724 B12R2.612 NC1=CC2=C(C=C1)C(=O)CC2 A3834 [1,0,0,1,0,0|2,0,0]=4 725 B12R2.612 NC1=CC2=C(C=C1)C(=O)NC2 A0622 [1,0,0,1,0,0|2,0,0]=4 726 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 A48453 [1,0,0,1,0,0|1,0,0]=3 727 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 B23186 [1,0,0,1,0,0|2,0,0]=4 728 B12R2.612 O=C1CCC2=C1C=CC(Cl)=C2 C39570 [1,0,0,1,0,0|2,0,0]=4 729 B12R2.612 O=C1CCC2=C1C=CC(F)=C2 F51326 [1,0,0,1,0,0|2,0,0]=4 730 B12R2.612 O=C1CCC2=C1C=CC(I)=C2 D9498 [1,0,0,1,0,0|2,0,0]=4 731 B12R2.612 O=C1CCC2=C1C=CC(O)=C2 H38546 [1,0,0,1,0,0|1,0,0]=3 732 B12R2.612 O=C1COC2=C1C=CC(O)=C2 H48209 [1,0,0,1,0,0|2,0,0]=4 733 B12R2.612 O=C1NCC2=C1C=CC(Br)=C2 B14060 [1,0,0,1,0,0|2,0,0]=4 734 B12R2.612 O=C1NCC2=C1C=CC(Cl)=C2 C38770 [1,0,0,1,0,0|2,0,0]=4 735 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 F48097 [1,0,0,1,0,0|2,0,0]=4 736 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 H36793 [1,0,0,1,0,0|1,0,0]=3 737 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 B47768 [1,0,0,1,0,0|1,0,0]=3 738 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 C47780 [1,0,0,1,0,0|1,0,0]=3 739 B12R2.612 O=C1OCC2=C1C=CC(F)=C2 F47783 [1,0,0,1,0,0|1,0,0]=3 740 B12R2.612 O=C1OCC2=C1C=CC(O)=C2 H60961 [1,0,0,1,0,0|0,0,0]=2 741 B12R2.612 O=C1OCC2=CC(Cl)=NC=C12 C14977 [1,0,0,1,0,0|2,0,0]=4 742 B12R2.612 OB1OCC2=C1C=CC(O)=C2 D29533 [1,0,0,1,0,0|1,0,1]=4 743 B12R2.44 COC1=CC2=C(C=C1)C=NN2 M0480 [1,0,0,1,0,0|2,0,0]=4 744 B12R2.44 COC1=CC2=C(C=C1)CNC2 M52106 [1,0,0,1,0,0|1,0,1]=4 745 B12R2.44 COC1=CC2=C(C=C1)NCC2 M22375 [1,0,0,1,0,0|2,0,0]=4 746 B12R2.44 COC1=CC2=C(C=C1)NCC2 M52101 [1,0,0,1,0,0|2,0,0]=4 747 B12R2.44 COC1=CC2=C(C=CC2)C=C1 M52406 [1,0,0,1,0,0|1,0,0]=3 748 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2150 [1,0,0,1,0,0|2,0,0]=4 749 B12R2.44 COC1=CC2=C(C=CO2)C=C1 M51550 [1,0,0,1,0,0|2,0,0]=4 750 B12R2.44 COC1=CC2=C(C=CS2)C=C1 M26356 [1,0,0,1,0,0|2,0,0]=4 751 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)C=N2 M51375 [0,0,0,1,0,1|2,0,0]=4 752 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CC2 M52570 [0,0,0,1,0,1|1,0,0]=3 753 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CO2 M51825 [0,0,0,1,0,1|2,0,0]=4 754 B14R2.2332 COC1=CC2=C(C=C1)NC(=O)CS2 M61788 [0,0,0,1,0,1|2,0,0]=4 755 B14R2.3274 COC1=CC2=C(C=C1)NC(=O)C2=O M1239 [0,0,0,1,0,1|2,0,0]=4 756 B14R2.1815 COC1=CC2=C(C=C1)C(=O)C(=O)N2 M51200 [0,1,0,1,0,0|2,0,0]=4 757 B14R2.1 COC1=CC=C(C2=NN=CO2)C=C1 M51389 [0,1,0,1,0,0|1,0,1]=4 758 B14R2.152 COC1=CC2=C(C=C1)C(C=O)=CN2 M24990 [0,1,0,1,0,0|2,0,0]=4 759 B14R2.1801 COC1=CC2=C(C=C1)C(=O)C=CO2 M53807 [0,1,0,1,0,0|1,0,1]=4 760 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCC2 M4666 [0,1,0,1,0,0|1,0,0]=3 761 B14R2.1801 COC1=CC2=C(C=C1)C(=O)CCO2 M52448 [0,1,0,1,0,0|1,0,0]=3 762 B14R2.1801 COC1=CC2=C(C=C1)C(=O)COC2 M24166 [0,1,0,1,0,0|0,0,0]=2 763 B14R2.1801 COC1=CC2=C(C=C1)C(=O)N=CN2 M51376 [0,1,0,1,0,0|1,0,1]=4 764 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NC=C2 M53927 [0,1,0,1,0,0|1,0,1]=4 765 B14R2.1801 COC1=CC2=C(C=C1)C(=O)NCC2 M52573 [0,1,0,1,0,0|1,0,0]=3 766 B14R2.36882 COC1=CC(O)=C2C(=O)CCC2=C1 H52462 [0,1,0,1,0,0|1,0,0]=3 767 B14R2.966 COC(=O)C1=CC2=C(C=C1)C=NN2 M3561 [0,1,0,1,0,0|2,0,0]=4 768 B14R2.966 COC(=O)C1=CC2=C(C=C1)CCO2 M61702 [0,1,0,1,0,0|1,0,0]=3 769 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CN2 M51386 [0,1,0,1,0,0|1,0,1]=4 770 B14R2.966 COC(=O)C1=CC2=C(C=C1)N=CS2 M38948 [0,1,0,1,0,0|1,0,1]=4 771 B14R2.966 COC(=O)C1=CC2=C(C=C1)NC=C2 M2325 [0,1,0,1,0,0|1,0,1]=4 772 B14R2.966 COC(=O)C1=CC2=C(C=C1)NCC2 M52559 [0,1,0,1,0,0|1,0,0]=3 773 B14R2.966 COC(=O)C1=CC2=C(C=C1)NN=C2 M3556 [0,1,0,1,0,0|1,0,1]=4 774 B14R2.966 COC(=O)C1=CC2=C(C=C1)OC=N2 M51216 [0,1,0,1,0,0|0,0,1]=3 775 B14R2.966 COC(=O)C1=CC2=C(C=C1)SC=C2 M61901 [0,1,0,1,0,0|0,1,1]=4 776 B14R2.966 COC(=O)C1=CC2=C(C=C1)SN=N2 M37784 [0,1,0,1,0,0|1,1,0]=4 777 B14R2.966 COC(=O)C1=CC2=C(C=CN2)C=C1 M38475 [0,1,0,1,0,0|1,0,1]=4 778 B14R2.966 COC(=O)C1=CC2=C(C=CO2)C=C1 M61626 [0,1,0,1,0,0|1,0,1]=4 779 B14R2.966 O=C(CBr)C1=CC2=C(C=C1)OCC2 B65081 [0,1,0,1,0,0|2,0,0]=4 780 B14R2.966 O=C(CCl)C1=CC2=C(C=C1)OCC2 C65548 [0,1,0,1,0,0|2,0,0]=4 781 B14R2.326 COC1=CC=C(C2(N)COC2)C=C1 M8506 [0,1,0,1,0,0|1,0,1]=4 782 B14R2.1812 COC1=CC2=C(C=C1)C(=O)NC2=O M51205 [0,1,0,1,0,0|1,0,1]=4 783 B14R2.1812 COC1=CC2=C(C=C1)C(=O)OC2=O M51001 [0,1,0,1,0,0|0,0,1]=3 784 B14R2.1812 COC1=CC2=C(C=C1)C(I)=NN2C K51700 [0,1,0,1,0,0|2,0,0]=4 785 B14R2.1416 COC1=C(F)C=C2C(=O)CCC2=C1 F54005 [0,1,0,1,0,0|1,0,0]=3 786 B14R2.1802 COC1=C(Cl)C2=C(C=C1)C(=O)CC2 C53998 [0,1,0,1,0,0|1,0,0]=3 787 B10R0.46 C=C(CC(=O)OC)C(=O)OC D69582 [0,0,1,0,1,0|1,0,1]=4 788 B10R1.31 COC1=CN=C(C(=O)O)O1 M41003 [1,0,0,0,1,0|2,0,0]=4 789 B10R1.14 COC(=O)C1=CC(Br)=CN1 M12023 [1,0,0,0,1,0|2,0,0]=4 790 B10R1.14 COC(=O)C1=CC(Br)=CO1 M42715 [1,0,0,0,1,0|2,0,0]=4 791 B10R1.14 COC(=O)C1=CC(Br)=CS1 M7697 [1,0,0,0,1,0|2,0,0]=4 792 B10R1.14 COC(=O)C1=CC(C)=NO1 M43162 [1,0,0,0,1,0|2,0,0]=4 793 B10R1.14 COC(=O)C1=CC(Cl)=CS1 M14084 [1,0,0,0,1,0|2,0,0]=4 794 B10R1.14 COC(=O)C1=CC(F)=CS1 M42707 [1,0,0,0,1,0|2,0,0]=4 795 B10R1.14 COC(=O)C1=CC(N)=CS1 M43154 [1,0,0,0,1,0|2,0,0]=4 796 B10R1.14 COC(=O)C1=CC(O)=NO1 M37717 [1,0,0,0,1,0|2,0,0]=4 797 B10R1.14 COC(=O)C1=CC=C(Br)N1 M9622 [1,0,0,0,1,0|2,0,0]=4 798 B10R1.14 COC(=O)C1=CC=C(Br)O1 M42716 [1,0,0,0,1,0|2,0,0]=4 799 B10R1.14 COC(=O)C1=CC=C(Br)S1 M7698 [1,0,0,0,1,0|2,0,0]=4 800 B10R1.14 COC(=O)C1=CC=C(C)N1 M46412 [1,0,0,0,1,0|1,0,0]=3 801 B10R1.14 COC(=O)C1=CC=C(C)O1 M46254 [1,0,0,0,1,0|1,0,0]=3 802 B10R1.14 COC(=O)C1=CC=C(Cl)S1 M66823 [1,0,0,0,1,0|2,0,0]=4 803 B10R1.14 COC(=O)C1=CC=C(I)S1 M42708 [1,0,0,0,1,0|2,0,0]=4 804 B10R1.14 COC(=O)C1=CC=C(N)O1 A11105 [1,0,0,0,1,0|2,0,0]=4 805 B10R1.14 COC(=O)C1=CC=C(N)S1 M9979 [1,0,0,0,1,0|2,0,0]=4 806 B10R1.14 COC(=O)C1=CN(C)C=N1 M29723 [1,0,0,0,1,0|2,0,0]=4 807 B10R1.14 COC(=O)C1=CN=C(C)N1 M43230 [1,0,0,0,1,0|2,0,0]=4 808 B10R1.14 COC(=O)C1=CN=C(C)O1 M3277 [1,0,0,0,1,0|2,0,0]=4 809 B10R1.14 COC(=O)C1=CNC(Br)=C1 M42853 [1,0,0,0,1,0|2,0,0]=4 810 B10R1.14 COC(=O)C1=COC(C)=C1 M46255 [1,0,0,0,1,0|1,0,0]=3 811 B10R1.14 COC(=O)C1=COC(C)=N1 M7131 [1,0,0,0,1,0|2,0,0]=4 812 B10R1.14 COC(=O)C1=CSC(Br)=C1 M12753 [1,0,0,0,1,0|2,0,0]=4 813 B10R1.14 COC(=O)C1=CSC(C)=N1 M2884 [1,0,0,0,1,0|2,0,0]=4 814 B10R1.14 COC(=O)C1=CSC(Cl)=C1 M1606 [1,0,0,0,1,0|2,0,0]=4 815 B10R1.14 COC(=O)C1=NC(C)=CS1 M43155 [1,0,0,0,1,0|2,0,0]=4 816 B10R1.14 COC(=O)C1=NC=C(C)O1 M17998 [1,0,0,0,1,0|2,0,0]=4 817 B10R1.14 COC(=O)C1=NC=C(C)S1 M43156 [1,0,0,0,1,0|2,0,0]=4 818 B10R1.14 COC(=O)C1=NN(C)C=C1 M29732 [1,0,0,0,1,0|2,0,0]=4 819 B10R1.14 COC(=O)C1=NNC(C)=C1 M9723 [1,0,0,0,1,0|2,0,0]=4 820 B10R1.14 COC(=O)C1=NNC(O)=C1 M41044 [1,0,0,0,1,0|2,0,0]=4 821 B12R1.49 CCC(=O)OC1=CC=C(O)C=C1 H64154 [1,0,0,0,0,1|1,0,0]=3 822 B12R1.49 COC(=O)CC1=CC=C(Br)C=C1 M7569 [1,0,0,0,0,1|1,0,0]=3 823 B12R1.49 COC(=O)CC1=CC=C(Cl)C=C1 M51915 [1,0,0,0,0,1|1,0,0]=3 824 B12R1.49 COC(=O)CC1=CC=C(F)C=C1 M51939 [1,0,0,0,0,1|1,0,0]=3 825 B12R1.49 COC(=O)CC1=CC=C(I)C=C1 M63040 [1,0,0,0,0,1|1,0,0]=3 826 B12R1.49 COC(=O)CC1=CC=C(N)C=C1 M23468 [1,0,0,0,0,1|1,0,0]=3 827 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 M67394 [1,0,0,0,0,1|0,0,0]=2 828 B12R1.49 COC(=O)CC1=CN=C(C)C=C1 M50074 [1,0,0,0,0,1|1,0,0]=3 829 B12R1.49 COC(=O)CC1=CN=C(Cl)C=C1 M25037 [1,0,0,0,0,1|2,0,0]=4 830 B12R1.49 COC(=O)CC1=NC=C(Br)C=C1 M10106 [1,0,0,0,0,1|2,0,0]=4 831 B12R1.435 C#CC1=CC=CC(C(=O)OC)=C1 M37583 [0,0,0,0,1,1|1,0,1]=4 832 B12R1.435 C#CC1=NC=CC(C(=O)OC)=C1 M51179 [0,0,0,0,1,1|1,0,1]=4 833 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 M52788 [0,0,0,0,1,1|1,0,0]=3 834 B12R1.435 CCC1=CC=CC(C(=O)OC)=N1 M50036 [0,0,0,0,1,1|2,0,0]=4 835 B12R1.435 COC(=O)C1=CC(C#N)=CC=C1 M51165 [0,0,0,0,1,1|2,0,0]=4 836 B12R1.435 COC(=O)C1=CC(C#N)=NC=C1 M26741 [0,0,0,0,1,1|2,0,0]=4 837 B12R1.435 COC(=O)C1=CC(C=O)=CC=C1 M51624 [0,0,0,0,1,1|2,0,0]=4 838 B12R1.435 COC(=O)C1=CC(C=O)=NC=C1 M48503 [0,0,0,0,1,1|2,0,0]=4 839 B12R1.435 COC(=O)C1=CC(CBr)=CN=C1 M38808 [0,0,0,0,1,1|2,0,0]=4 840 B12R1.435 COC(=O)C1=CC(CN)=CC=C1 M52109 [0,0,0,0,1,1|2,0,0]=4 841 B12R1.435 COC(=O)C1=CC(CN)=NC=C1 M49501 [0,0,0,0,1,1|2,0,0]=4 842 B12R1.435 COC(=O)C1=CC(CO)=CC=C1 M63250 [0,0,0,0,1,1|2,0,0]=4 843 B12R1.435 COC(=O)C1=CC(CO)=NC=C1 M67767 [0,0,0,0,1,1|2,0,0]=4 844 B12R1.435 COC(=O)C1=CC(OC)=NC=C1 M12735 [0,0,0,0,1,1|0,0,0]=2 845 B12R1.435 COC(=O)C1=CC=CC(CBr)=C1 M51884 [0,0,0,0,1,1|2,0,0]=4 846 B12R1.435 COC(=O)C1=CN=CC(C#N)=C1 M9492 [0,0,0,0,1,1|2,0,0]=4 847 B12R1.435 COC(=O)C1=CN=CC(CN)=C1 M49497 [0,0,0,0,1,1|2,0,0]=4 848 B12R1.435 COC(=O)C1=CN=CC(CO)=C1 M13256 [0,0,0,0,1,1|2,0,0]=4 849 B12R1.435 COC(=O)C1=CN=CC(OC)=C1 M15226 [0,0,0,0,1,1|0,0,0]=2 850 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 M49314 [0,0,0,0,1,1|1,0,0]=3 851 B12R1.435 COC(=O)C1=NC(OC)=CN=C1 M46038 [0,0,0,0,1,1|1,0,0]=3 852 B12R1.435 COC(=O)C1=NC=CC(C#N)=C1 M27791 [0,0,0,0,1,1|2,0,0]=4 853 B12R1.435 COC(=O)C1=NC=CC(CO)=C1 M49332 [0,0,0,0,1,1|2,0,0]=4 854 B12R1.435 COC(=O)C1=NC=CC(OC)=C1 M49339 [0,0,0,0,1,1|0,0,0]=2 855 B12R1.435 COC1=CC=CC(C(=O)C=O)=C1 M61518 [0,0,0,0,1,1|2,0,0]=4 856 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 B38521 [0,0,0,0,1,1|2,0,0]=4 857 B14R1.5 CCC(=O)C=CC1=CC=C(OC)C=C1 M55919 [0,0,0,0,0,2|1,0,0]=3 858 B14R1.5 COC(=O)C=CC1=CC=C(CBr)C=C1 M54451 [0,0,0,0,0,2|2,0,0]=4 859 B14R1.5 COC(=O)COC1=CC=C(C#N)C=C1 M53955 [0,0,0,0,0,2|2,0,0]=4 860 B14R1.5 COC(=O)\C=C\C1=CC=C(C=O)C=C1 M54351 [0,0,0,0,0,2|2,0,0]=4