0 B13R1.464 CCOC(=O)C1=C(C#N)C=CC=C1 E53918 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.464 CCOC(=O)C1=C(C#N)N=CC=C1 E69588 [0,0,0,0,0,0|3,0,0]=3 2 B13R1.464 CCOC(=O)C1=C(C=O)C=CC=C1 E52451 [0,0,0,0,0,0|2,0,0]=2 3 B13R1.464 CCOC(=O)C1=C(NC)C=CC=C1 E52943 [0,0,0,0,0,0|0,0,0]=0 4 B12R1.77 C#CC1=C(C(=O)OC)C=CC=C1 M53793 [1,0,0,0,0,0|1,0,1]=3 5 B12R1.77 CNC1=C(C(=O)OC)C=CC=C1 M65720 [1,0,0,0,0,0|0,0,0]=1 6 B12R1.77 COC(=O)C1=C(C#N)C=CC=C1 M51164 [1,0,0,0,0,0|2,0,0]=3 7 B12R1.77 COC(=O)C1=C(C#N)C=NC=C1 M47877 [1,0,0,0,0,0|3,0,0]=4 8 B12R1.77 COC(=O)C1=C(C=O)C=CC=C1 M38609 [1,0,0,0,0,0|2,0,0]=3 9 B12R1.77 COC(=O)C1=C(CBr)C=CC=C1 M36627 [1,0,0,0,0,0|2,0,0]=3 10 B12R1.77 COC(=O)C1=C(CBr)C=CC=N1 M48916 [1,0,0,0,0,0|3,0,0]=4 11 B12R1.77 COC(=O)C1=C(CCl)C=CC=C1 M51917 [1,0,0,0,0,0|2,0,0]=3 12 B12R1.77 COC(=O)C1=C(CN)N=CC=C1 M36811 [1,0,0,0,0,0|3,0,0]=4 13 B12R1.77 COC(=O)C1=C(CO)N=CC=C1 M37792 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.77 COC(=O)C1=C(OC)C=CN=C1 M49313 [1,0,0,0,0,0|2,0,0]=3 15 B12R1.77 COC(=O)C1=C(OC)N=CC=C1 M12721 [1,0,0,0,0,0|2,0,0]=3 16 B12R1.77 COC(=O)C1=CC=CN=C1CBr M37745 [1,0,0,0,0,0|3,0,0]=4 17 B12R1.77 COC(=O)C1=NC=CC=C1C=O M48497 [1,0,0,0,0,0|3,0,0]=4 18 B12R1.77 COC(=O)C1=NC=CC=C1OC M49338 [1,0,0,0,0,0|2,0,0]=3 19 B12R1.77 COC1=C(C(=O)CBr)C=CC=C1 B51907 [1,0,0,0,0,0|2,0,0]=3 20 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 A52119 [1,0,0,0,0,0|2,0,0]=3 21 B12R1.308 CCC[C@@H](N)C1=C(C)C=CC=C1 T54978 [1,0,0,0,0,0|2,0,1]=4 22 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 E3305 [1,0,0,0,0,0|1,0,0]=2 23 B12R1.308 CCOC(=O)C1=C(Br)C=CC=N1 E48901 [1,0,0,0,0,0|2,0,0]=3 24 B12R1.308 CCOC(=O)C1=C(C)C=NN=C1 M12679 [1,0,0,0,0,0|2,0,0]=3 25 B12R1.308 CCOC(=O)C1=C(C)N=CC=C1 E50033 [1,0,0,0,0,0|1,0,0]=2 26 B12R1.308 CCOC(=O)C1=C(C)N=CN=C1 E16600 [1,0,0,0,0,0|2,0,0]=3 27 B12R1.308 CCOC(=O)C1=C(C)N=NC=C1 E14645 [1,0,0,0,0,0|2,0,0]=3 28 B12R1.308 CCOC(=O)C1=C(Cl)C=NC=C1 E48937 [1,0,0,0,0,0|2,0,0]=3 29 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 E51932 [1,0,0,0,0,0|1,0,0]=2 30 B12R1.308 CCOC(=O)C1=C(I)C=CC=C1 E51956 [1,0,0,0,0,0|1,0,0]=2 31 B12R1.308 CCOC(=O)C1=C(N)C=NC=C1 E46678 [1,0,0,0,0,0|1,0,0]=2 32 B12R1.308 CCOC(=O)C1=C(N)N=CC=C1 E7576 [1,0,0,0,0,0|1,0,0]=2 33 B12R1.308 CCOC(=O)C1=C(N)N=CN=C1 E46349 [1,0,0,0,0,0|2,0,0]=3 34 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 E46040 [1,0,0,0,0,0|3,0,0]=4 35 B12R1.308 CCOC(=O)C1=C(O)N=CN=C1 E46041 [1,0,0,0,0,0|3,0,0]=4 36 B12R1.308 CCOC(=O)C1=CC=CN=C1Br E38351 [1,0,0,0,0,0|2,0,0]=3 37 B12R1.308 CCOC(=O)C1=CC=CN=C1Cl E39502 [1,0,0,0,0,0|2,0,0]=3 38 B12R1.308 CCOC(=O)C1=CC=NNC1=O E62071 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.308 CCOC(=O)C1=CN=CN=C1Cl E45661 [1,0,0,0,0,0|3,0,0]=4 40 B12R1.308 CCOC(=O)C1=NC=CC=C1C E24419 [1,0,0,0,0,0|1,0,0]=2 41 B12R1.308 CCOC(=O)C1=NC=CC=C1N E46661 [1,0,0,0,0,0|1,0,0]=2 42 B12R1.308 CCOC(=O)C1=NC=CN=C1Cl E45657 [1,0,0,0,0,0|3,0,0]=4 43 B12R1.308 CCOC(=O)C1=NN=CC=C1C M14117 [1,0,0,0,0,0|2,0,0]=3 44 B12R1.308 O=C(CCCl)C1=C(F)C=CC=C1 C51658 [1,0,0,0,0,0|3,0,0]=4 45 B14R1.263 CCCC(=O)C1=C(OCC)C=CN=C1 E54870 [0,1,0,0,0,0|3,0,0]=4 46 B14R1.263 CCOC(=O)C1=NC=CC=C1CC#N E52304 [0,1,0,0,0,0|2,0,1]=4 47 B14R1.623 CCOC(=O)C1=C(B(O)O)C=CC=C1 E3000 [0,1,0,0,0,0|2,0,0]=3 48 B14R1.623 CCOC(=O)C1=CC=CN=C1C(F)F E51805 [0,1,0,0,0,0|3,0,0]=4 49 B14R1.939 COC1=C(C(=O)NCCBr)C=CC=C1 B66023 [0,1,0,0,0,0|2,0,0]=3 50 B14R1.7276 CCOC(=O)C1=C(F)C=CC=C1OC E63028 [0,1,0,0,0,0|1,0,0]=2 51 B14R1.7276 CCOC(=O)C1=C(OC)C=CC=C1C E54791 [0,1,0,0,0,0|1,0,0]=2 52 B14R2.98 COC1=C(C2=NCCO2)C=CC=C1 M66024 [0,0,0,1,0,0|2,0,0]=3 53 B14R2.7724 CN1C(=O)NC(=O)C2=C1C=CC=C2 M51388 [0,0,0,1,0,0|2,0,1]=4 54 B14R2.11635 COC1=C2C(=O)CCCC2=CC=C1 D54561 [0,0,0,1,0,0|2,0,0]=3 55 B14R2.11691 COC1=C2C(=O)OC(=O)C2=CC=C1 M51000 [0,0,0,1,0,0|2,0,1]=4 56 B12R1.316 CCOC(=O)C1=C(C#N)C=CN1 E48824 [0,0,0,0,1,0|3,0,0]=4 57 B12R1.316 CCOC(=O)C1=C(C=O)C=CN1 E38964 [0,0,0,0,1,0|3,0,0]=4 58 B12R1.316 CCOC(=O)C1=C(C=O)SC=C1 E49113 [0,0,0,0,1,0|3,0,0]=4 59 B12R1.316 CCOC(=O)C1=CNN=C1OC E23846 [0,0,0,0,1,0|3,0,0]=4 60 B14R1.965 CCOC(=O)CC1=C(C#N)C=CC=C1 E54415 [0,0,0,0,0,1|2,0,0]=3 61 B11R1.53 C#CC1=C(C(=O)O)C=CC=C1 E36717 [2,0,0,0,0,0|1,0,1]=4 62 B11R1.53 CC(=O)C1=C(C#N)C=CC=C1 A26401 [2,0,0,0,0,0|2,0,0]=4 63 B11R1.53 CCC1=C(C(=O)O)C=CC=C1 E49881 [2,0,0,0,0,0|1,0,0]=3 64 B11R1.53 CCC1=C(C(=O)O)C=CC=N1 E49269 [2,0,0,0,0,0|2,0,0]=4 65 B11R1.53 CCC1=C(C(=O)O)C=CN=C1 E49275 [2,0,0,0,0,0|2,0,0]=4 66 B11R1.53 CCC1=C(C(=O)O)C=NC=C1 E49270 [2,0,0,0,0,0|2,0,0]=4 67 B11R1.53 CNC1=C(C(C)=O)C=CC=C1 M38276 [2,0,0,0,0,0|0,0,0]=2 68 B11R1.53 CNC1=C([N+](=O)[O-])C=CC=C1 M60711 [2,0,0,0,0,0|1,0,1]=4 69 B11R1.53 COC1=C(C(=O)O)C=CC=N1 M12720 [2,0,0,0,0,0|2,0,0]=4 70 B11R1.53 COC1=C(C(=O)O)C=NC=C1 M45835 [2,0,0,0,0,0|2,0,0]=4 71 B11R1.53 COC1=C(C(C)=O)C=CC=N1 M49287 [2,0,0,0,0,0|2,0,0]=4 72 B11R1.53 COC1=C(C(C)=O)C=CN=C1 M49288 [2,0,0,0,0,0|2,0,0]=4 73 B11R1.53 COC1=C(C(C)=O)C=NC=C1 M29754 [2,0,0,0,0,0|2,0,0]=4 74 B11R1.53 COC1=C(C(N)=O)C=CC=C1 M60565 [2,0,0,0,0,0|2,0,0]=4 75 B11R1.53 COC1=CC=CN=C1C(=O)O M45833 [2,0,0,0,0,0|2,0,0]=4 76 B11R1.53 COC1=CC=CN=C1C(C)=O M27805 [2,0,0,0,0,0|2,0,0]=4 77 B11R1.53 CSC1=C(C(=O)O)C=CC=C1 M69034 [2,0,0,0,0,0|1,0,0]=3 78 B11R1.53 CSC1=NC=CC=C1C(=O)O M62219 [2,0,0,0,0,0|2,0,0]=4 79 B11R1.53 NNC1=C(C(=O)O)C=CC=C1 H46555 [2,0,0,0,0,0|1,0,0]=3 80 B11R1.53 O=C(O)C1=C(CCl)C=CC=C1 C48588 [2,0,0,0,0,0|2,0,0]=4 81 B11R1.53 O=C(O)C1=C(CO)C=CC=C1 H49093 [2,0,0,0,0,0|2,0,0]=4 82 B11R1.222 CCC(=O)C1=C(C)C=CC=C1 M52778 [2,0,0,0,0,0|0,0,0]=2 83 B11R1.222 CCC(=O)C1=C(Cl)C=CC=C1 C52038 [2,0,0,0,0,0|1,0,0]=3 84 B11R1.222 CCC(=O)C1=C(O)C=CC=C1 H39530 [2,0,0,0,0,0|1,0,0]=3 85 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [2,0,0,0,0,0|1,0,1]=4 86 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 B53112 [2,0,0,0,0,0|1,0,1]=4 87 B11R1.222 CNC(=O)C1=C(Br)C=CC=C1 B49022 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.222 CNC(=O)C1=C(N)C=CC=C1 A67666 [2,0,0,0,0,0|1,0,0]=3 89 B11R1.222 CNC(=O)C1=C(N)C=CN=C1 A46341 [2,0,0,0,0,0|2,0,0]=4 90 B11R1.222 CNC(=O)C1=C(N)N=CC=C1 A46340 [2,0,0,0,0,0|2,0,0]=4 91 B11R1.222 CNC(=O)C1=C(O)C=CC=C1 M64518 [2,0,0,0,0,0|2,0,0]=4 92 B11R1.222 COC(=O)C1=C(Br)C=CC=C1 M39488 [2,0,0,0,0,0|1,0,0]=3 93 B11R1.222 COC(=O)C1=C(Br)C=CC=N1 M14100 [2,0,0,0,0,0|2,0,0]=4 94 B11R1.222 COC(=O)C1=C(Br)C=NC=C1 M12636 [2,0,0,0,0,0|2,0,0]=4 95 B11R1.222 COC(=O)C1=C(C)C=CC=C1 M39531 [2,0,0,0,0,0|0,0,0]=2 96 B11R1.222 COC(=O)C1=C(C)C=CN=C1 M38020 [2,0,0,0,0,0|1,0,0]=3 97 B11R1.222 COC(=O)C1=C(C)C=NC=C1 M11262 [2,0,0,0,0,0|1,0,0]=3 98 B11R1.222 COC(=O)C1=C(C)C=NN=C1 M11606 [2,0,0,0,0,0|2,0,0]=4 99 B11R1.222 COC(=O)C1=C(C)N=CC=C1 M11023 [2,0,0,0,0,0|1,0,0]=3 100 B11R1.222 COC(=O)C1=C(Cl)C=CC=N1 M45351 [2,0,0,0,0,0|2,0,0]=4 101 B11R1.222 COC(=O)C1=C(Cl)C=CN=C1 M45369 [2,0,0,0,0,0|2,0,0]=4 102 B11R1.222 COC(=O)C1=C(Cl)C=NC=C1 M45356 [2,0,0,0,0,0|2,0,0]=4 103 B11R1.222 COC(=O)C1=C(F)C=CC=C1 M69073 [2,0,0,0,0,0|1,0,0]=3 104 B11R1.222 COC(=O)C1=C(F)C=CC=N1 M25907 [2,0,0,0,0,0|2,0,0]=4 105 B11R1.222 COC(=O)C1=C(F)C=NC=C1 M1911 [2,0,0,0,0,0|2,0,0]=4 106 B11R1.222 COC(=O)C1=C(I)C=CC=C1 M67835 [2,0,0,0,0,0|1,0,0]=3 107 B11R1.222 COC(=O)C1=C(I)C=CC=N1 M45391 [2,0,0,0,0,0|2,0,0]=4 108 B11R1.222 COC(=O)C1=C(I)C=NC=C1 M10415 [2,0,0,0,0,0|2,0,0]=4 109 B11R1.222 COC(=O)C1=C(N)C=CN=C1 A1097 [2,0,0,0,0,0|1,0,0]=3 110 B11R1.222 COC(=O)C1=C(N)C=NC=C1 M0549 [2,0,0,0,0,0|1,0,0]=3 111 B11R1.222 COC(=O)C1=C(N)N=CC=C1 M27310 [2,0,0,0,0,0|1,0,0]=3 112 B11R1.222 COC(=O)C1=C(O)C=NC=C1 M15996 [2,0,0,0,0,0|2,0,0]=4 113 B11R1.222 COC(=O)C1=C(O)N=CC=C1 M38592 [2,0,0,0,0,0|2,0,0]=4 114 B11R1.222 COC(=O)C1=C(S)C=CC=C1 M69035 [2,0,0,0,0,0|1,0,0]=3 115 B11R1.222 COC(=O)C1=CC=CN=C1Br M24089 [2,0,0,0,0,0|2,0,0]=4 116 B11R1.222 COC(=O)C1=CC=CN=C1Cl M0433 [2,0,0,0,0,0|2,0,0]=4 117 B11R1.222 COC(=O)C1=CC=CN=C1F M45374 [2,0,0,0,0,0|2,0,0]=4 118 B11R1.222 COC(=O)C1=CC=CNC1=O M45848 [2,0,0,0,0,0|2,0,0]=4 119 B11R1.222 COC(=O)C1=CNC=CC1=O M36878 [2,0,0,0,0,0|2,0,0]=4 120 B11R1.222 COC(=O)C1=NC=CC=C1C M24449 [2,0,0,0,0,0|1,0,0]=3 121 B11R1.222 COC(=O)C1=NC=CC=C1N M23281 [2,0,0,0,0,0|1,0,0]=3 122 B11R1.222 COC(=O)C1=NC=CN=C1C M23587 [2,0,0,0,0,0|2,0,0]=4 123 B11R1.222 COC(=O)C1=NC=CN=C1N M20687 [2,0,0,0,0,0|2,0,0]=4 124 B11R1.222 NCC(=O)C1=C(F)C=CC=C1 A69482 [2,0,0,0,0,0|2,0,0]=4 125 B11R1.222 O=C(CBr)C1=C(Cl)C=CC=C1 B60597 [2,0,0,0,0,0|2,0,0]=4 126 B11R1.222 O=C(CBr)C1=C(F)C=CC=C1 B48254 [2,0,0,0,0,0|2,0,0]=4 127 B11R1.222 O=C(CBr)C1=C(O)C=CC=C1 B48582 [2,0,0,0,0,0|2,0,0]=4 128 B11R1.222 O=C(CF)C1=C(F)C=CC=C1 F48290 [2,0,0,0,0,0|2,0,0]=4 129 B11R1.16 CC=CC(=O)C1=CC=CC=C1 P68339 [2,0,0,0,0,0|1,0,1]=4 130 B11R1.16 CCCC(=O)C1=CN=CC=C1 P50020 [2,0,0,0,0,0|2,0,0]=4 131 B11R1.16 CCCC(=O)C1=NC=CC=C1 B50017 [2,0,0,0,0,0|2,0,0]=4 132 B11R1.16 CCOC(=N)C1=CC=NC=C1 E46648 [2,0,0,0,0,0|2,0,0]=4 133 B11R1.16 CCOC(=O)C1=CC=NC=C1 E69401 [2,0,0,0,0,0|1,0,0]=3 134 B11R1.16 CCOC(=O)C1=CN=CC=C1 E68695 [2,0,0,0,0,0|1,0,0]=3 135 B11R1.16 CCOC(=O)C1=CN=NC=C1 E23449 [2,0,0,0,0,0|2,0,0]=4 136 B11R1.16 CCOC(=O)C1=NC=CC=C1 E67964 [2,0,0,0,0,0|1,0,0]=3 137 B11R1.16 CCOC(=O)C1=NC=CC=N1 E46004 [2,0,0,0,0,0|2,0,0]=4 138 B11R1.16 CCOC(=O)C1=NC=CN=C1 E24926 [2,0,0,0,0,0|2,0,0]=4 139 B11R1.16 CCOC(=O)C1=NC=NC=C1 E46000 [2,0,0,0,0,0|2,0,0]=4 140 B11R1.16 CCO[P@@H](=O)C1=CC=CC=C1 E46942 [2,0,0,0,0,0|1,0,0]=3 141 B11R1.16 O=C(OCCl)C1=CC=CC=C1 C48587 [2,0,0,0,0,0|1,0,0]=3 142 B13R1.107 CCC1=C(C(=O)OC)C=CC=C1O M52827 [1,1,0,0,0,0|1,0,0]=3 143 B13R1.107 COC(=O)C1=C(C#N)C(C)=CC=C1 M53934 [1,1,0,0,0,0|2,0,0]=4 144 B13R1.107 COC(=O)C1=CC=CC(Br)=C1CBr M51563 [1,1,0,0,0,0|2,0,0]=4 145 B13R1.107 COC(=O)C1=CC=CC(Br)=C1OC M51971 [1,1,0,0,0,0|1,0,0]=3 146 B13R1.107 COC(=O)C1=CC=CC(Cl)=C1CBr M51567 [1,1,0,0,0,0|2,0,0]=4 147 B13R1.382 COC(=O)C1=C(CC#N)C=CC=C1 M68999 [1,1,0,0,0,0|1,0,1]=4 148 B13R1.382 COC(=O)C1=C(CCBr)C=CC=C1 M52619 [1,1,0,0,0,0|1,0,0]=3 149 B13R1.382 COC(=O)C1=C(CCN)C=CC=C1 M54159 [1,1,0,0,0,0|1,0,0]=3 150 B13R1.547 COC(=O)C1=C(B(O)O)C=CC=C1 M4040 [1,1,0,0,0,0|2,0,0]=4 151 B13R1.547 COC(=O)C1=C(C(=O)O)C=CC=C1 M64943 [1,1,0,0,0,0|2,0,0]=4 152 B13R1.2065 CCC1=C(C(=O)OC)C=CC(N)=C1 M52948 [1,1,0,0,0,0|1,0,0]=3 153 B13R1.2065 COC(=O)C1=C(C#N)C=C(Br)C=C1 M50862 [1,1,0,0,0,0|2,0,0]=4 154 B13R1.2065 COC(=O)C1=C(C#N)C=C(C)C=C1 M62155 [1,1,0,0,0,0|2,0,0]=4 155 B13R1.2065 COC(=O)C1=C(C#N)C=C(Cl)C=C1 M50873 [1,1,0,0,0,0|2,0,0]=4 156 B13R1.2065 COC(=O)C1=C(C#N)C=C(F)C=C1 M50881 [1,1,0,0,0,0|2,0,0]=4 157 B13R1.2065 COC(=O)C1=C(C#N)C=C(N)C=C1 M51381 [1,1,0,0,0,0|2,0,0]=4 158 B13R1.2065 COC(=O)C1=C(CBr)C=C(Br)C=C1 M51562 [1,1,0,0,0,0|2,0,0]=4 159 B13R1.2065 COC(=O)C1=C(CBr)C=C(C)C=C1 B24601 [1,1,0,0,0,0|2,0,0]=4 160 B13R1.2065 COC(=O)C1=C(CBr)C=C(Cl)C=C1 M51568 [1,1,0,0,0,0|2,0,0]=4 161 B13R1.2065 COC(=O)C1=C(OC)C=C(Br)C=C1 M51972 [1,1,0,0,0,0|1,0,0]=3 162 B13R1.2065 COC(=O)C1=C(OC)C=C(C)C=C1 M52830 [1,1,0,0,0,0|1,0,0]=3 163 B13R1.2065 COC(=O)C1=C(OC)C=C(F)C=C1 M51994 [1,1,0,0,0,0|1,0,0]=3 164 B13R1.2065 COC(=O)C1=C(OC)C=C(N)C=C1 M66638 [1,1,0,0,0,0|1,0,0]=3 165 B13R1.2065 COC(=O)C1=C(OC)C=C(O)C=C1 M36782 [1,1,0,0,0,0|1,0,0]=3 166 B13R1.2065 COC(=O)C1=C(OC)N=C(Br)C=C1 M48989 [1,1,0,0,0,0|2,0,0]=4 167 B13R1.2065 COC(=O)C1=C(OC)N=C(Cl)C=C1 M32275 [1,1,0,0,0,0|2,0,0]=4 168 B13R1.2065 COC(=O)C1=C(OC)N=C(N)C=C1 M46696 [1,1,0,0,0,0|2,0,0]=4 169 B13R1.2209 CCC1=C(C(=O)OC)C=C(Br)C=C1 M52618 [1,1,0,0,0,0|1,0,0]=3 170 B13R1.2209 CNC1=C(C(=O)OC)C=C(Cl)C=C1 M38328 [1,1,0,0,0,0|0,0,0]=2 171 B13R1.2209 CNC1=C(C(=O)OC)C=C(F)C=C1 M49833 [1,1,0,0,0,0|0,0,0]=2 172 B13R1.2209 CNC1=C(C(=O)OC)N=C(Br)C=N1 M46064 [1,1,0,0,0,0|2,0,0]=4 173 B13R1.2209 COC(=O)C1=C(C#N)C=CC(Br)=C1 M50863 [1,1,0,0,0,0|2,0,0]=4 174 B13R1.2209 COC(=O)C1=C(C#N)C=CC(Cl)=C1 M50874 [1,1,0,0,0,0|2,0,0]=4 175 B13R1.2209 COC(=O)C1=C(C#N)C=CC(F)=C1 M50882 [1,1,0,0,0,0|2,0,0]=4 176 B13R1.2209 COC(=O)C1=C(C=O)C=CC(Br)=C1 M51276 [1,1,0,0,0,0|2,0,0]=4 177 B13R1.2209 COC(=O)C1=C(C=O)C=CC(F)=C1 M63786 [1,1,0,0,0,0|2,0,0]=4 178 B13R1.2209 COC(=O)C1=C(CBr)C=CC(Br)=C1 M51565 [1,1,0,0,0,0|2,0,0]=4 179 B13R1.2209 COC(=O)C1=C(CBr)C=CC(Cl)=C1 M24806 [1,1,0,0,0,0|2,0,0]=4 180 B13R1.2209 COC(=O)C1=C(CN)C=CC(Br)=C1 M32177 [1,1,0,0,0,0|2,0,0]=4 181 B13R1.2209 COC(=O)C1=CC(Br)=CN=C1OC M12771 [1,1,0,0,0,0|2,0,0]=4 182 B13R1.2209 COC1=C(C(=O)CBr)C=C(Cl)C=C1 B51573 [1,1,0,0,0,0|2,0,0]=4 183 B13R1.2357 COC(=O)C1=C(CBr)C=CC=C1Cl M51569 [1,1,0,0,0,0|2,0,0]=4 184 B13R1.2357 COC(=O)C1=C(Cl)C=CN=C1OC M49001 [1,1,0,0,0,0|2,0,0]=4 185 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1C M52831 [1,1,0,0,0,0|1,0,0]=3 186 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1N M52124 [1,1,0,0,0,0|1,0,0]=3 187 B13R1.2357 COC(=O)C1=C(OC)C=CC=C1O M61524 [1,1,0,0,0,0|1,0,0]=3 188 B13R1.2357 COC(=O)C1=C(OC)C=CN=C1Cl M61522 [1,1,0,0,0,0|2,0,0]=4 189 B13R1.12 CCOC(=O)C1=C(C)C(Cl)=NC=C1 E22922 [1,1,0,0,0,0|1,0,0]=3 190 B13R1.12 CCOC(=O)C1=C(C)C(Cl)=NC=N1 E17806 [1,1,0,0,0,0|2,0,0]=4 191 B13R1.12 CCOC(=O)C1=C(C)C(O)=CC=C1 E63683 [1,1,0,0,0,0|0,0,0]=2 192 B13R1.12 CCOC(=O)C1=CC=CC(Br)=C1N E37188 [1,1,0,0,0,0|0,0,0]=2 193 B13R1.12 CCOC(=O)C1=CC=CC(Cl)=C1F E51602 [1,1,0,0,0,0|1,0,0]=3 194 B13R1.12 CCOC(=O)C1=CC=CC(F)=C1C E52644 [1,1,0,0,0,0|0,0,0]=2 195 B13R1.12 CCOC(=O)C1=CC=CC(F)=C1F E51610 [1,1,0,0,0,0|1,0,0]=3 196 B13R1.12 CCOC(=O)C1=CN=CC(Br)=C1N E32067 [1,1,0,0,0,0|1,0,0]=3 197 B13R1.446 CCOC(=O)C1=C(Br)C=CC(Br)=N1 E48468 [1,1,0,0,0,0|2,0,0]=4 198 B13R1.446 CCOC(=O)C1=C(Br)C=CC(F)=C1 E51575 [1,1,0,0,0,0|1,0,0]=3 199 B13R1.446 CCOC(=O)C1=C(Br)C=CC(I)=C1 E51593 [1,1,0,0,0,0|1,0,0]=3 200 B13R1.446 CCOC(=O)C1=C(C)C=CC(Cl)=C1 E52636 [1,1,0,0,0,0|0,0,0]=2 201 B13R1.446 CCOC(=O)C1=C(C)C=CC(I)=C1 E63252 [1,1,0,0,0,0|0,0,0]=2 202 B13R1.446 CCOC(=O)C1=C(C)N=CC(O)=C1 E50094 [1,1,0,0,0,0|1,0,0]=3 203 B13R1.446 CCOC(=O)C1=C(Cl)C=CC(Br)=C1 E51566 [1,1,0,0,0,0|1,0,0]=3 204 B13R1.446 CCOC(=O)C1=C(F)C=CC(Br)=C1 E51580 [1,1,0,0,0,0|1,0,0]=3 205 B13R1.446 CCOC(=O)C1=C(F)C=CC(F)=C1 E51612 [1,1,0,0,0,0|1,0,0]=3 206 B13R1.446 CCOC(=O)C1=C(F)C=CC(I)=C1 E51618 [1,1,0,0,0,0|1,0,0]=3 207 B13R1.446 CCOC(=O)C1=C(F)C=CC(N)=C1 E62886 [1,1,0,0,0,0|1,0,0]=3 208 B13R1.446 CCOC(=O)C1=C(I)C=CC(Br)=C1 E63027 [1,1,0,0,0,0|1,0,0]=3 209 B13R1.446 CCOC(=O)C1=C(I)C=CC(C)=C1 E52650 [1,1,0,0,0,0|1,0,0]=3 210 B13R1.446 CCOC(=O)C1=C(I)C=CC(Cl)=C1 E51609 [1,1,0,0,0,0|1,0,0]=3 211 B13R1.446 CCOC(=O)C1=C(N)C=CC(Br)=C1 E49788 [1,1,0,0,0,0|0,0,0]=2 212 B13R1.446 CCOC(=O)C1=C(N)C=CC(C)=C1 E52946 [1,1,0,0,0,0|0,0,0]=2 213 B13R1.446 CCOC(=O)C1=C(N)C=CC(Cl)=N1 E11768 [1,1,0,0,0,0|1,0,0]=3 214 B13R1.446 CCOC(=O)C1=C(N)C=CC(F)=C1 E49828 [1,1,0,0,0,0|0,0,0]=2 215 B13R1.446 CCOC(=O)C1=C(N)C=CC(I)=C1 E49842 [1,1,0,0,0,0|0,0,0]=2 216 B13R1.446 CCOC(=O)C1=C(N)C=NC(Cl)=N1 E61515 [1,1,0,0,0,0|2,0,0]=4 217 B13R1.446 CCOC(=O)C1=C(O)C=CC(I)=C1 E52001 [1,1,0,0,0,0|1,0,0]=3 218 B13R1.446 CCOC(=O)C1=CC(Br)=CN=C1C B15581 [1,1,0,0,0,0|1,0,0]=3 219 B13R1.446 CCOC(=O)C1=CC(Br)=CN=C1N E49175 [1,1,0,0,0,0|1,0,0]=3 220 B13R1.446 CCOC(=O)C1=CC(C)=CN=C1Cl E49807 [1,1,0,0,0,0|2,0,0]=4 221 B13R1.446 CCOC(=O)C1=CC(Cl)=CN=C1C E49809 [1,1,0,0,0,0|1,0,0]=3 222 B13R1.446 CCOC(=O)C1=CC(Cl)=CN=C1N E49183 [1,1,0,0,0,0|1,0,0]=3 223 B13R1.446 CCOC(=O)C1=CC(Cl)=NC=C1Cl E38334 [1,1,0,0,0,0|2,0,0]=4 224 B13R1.446 CCOC(=O)C1=CC(F)=CN=C1Cl E0636 [1,1,0,0,0,0|2,0,0]=4 225 B13R1.446 CCOC(=O)C1=CC(I)=CN=C1N E49189 [1,1,0,0,0,0|1,0,0]=3 226 B13R1.446 CCOC(=O)C1=NC(C)=CC=C1N E11770 [1,1,0,0,0,0|1,0,0]=3 227 B13R1.1511 CCCC(=O)C1=C(O)C=C(O)C=C1 D52835 [1,1,0,0,0,0|2,0,0]=4 228 B13R1.1511 CCOC(=O)C1=C(Br)C=C(Cl)N=C1 E48472 [1,1,0,0,0,0|2,0,0]=4 229 B13R1.1511 CCOC(=O)C1=C(Br)C=C(F)C=C1 E51574 [1,1,0,0,0,0|1,0,0]=3 230 B13R1.1511 CCOC(=O)C1=C(C)C=C(N)C=C1 E52947 [1,1,0,0,0,0|0,0,0]=2 231 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)C=C1 E63492 [1,1,0,0,0,0|1,0,0]=3 232 B13R1.1511 CCOC(=O)C1=C(C)N=C(Cl)N=C1 E9429 [1,1,0,0,0,0|2,0,0]=4 233 B13R1.1511 CCOC(=O)C1=C(C)N=C(N)N=C1 E46879 [1,1,0,0,0,0|2,0,0]=4 234 B13R1.1511 CCOC(=O)C1=C(C)NC(=O)C=C1 E23160 [1,1,0,0,0,0|1,0,0]=3 235 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(I)C=C1 E63031 [1,1,0,0,0,0|1,0,0]=3 236 B13R1.1511 CCOC(=O)C1=C(Cl)C=C(N)C=C1 E64589 [1,1,0,0,0,0|1,0,0]=3 237 B13R1.1511 CCOC(=O)C1=C(F)C=C(Br)C=C1 E51578 [1,1,0,0,0,0|1,0,0]=3 238 B13R1.1511 CCOC(=O)C1=C(F)C=C(F)C=C1 E51611 [1,1,0,0,0,0|1,0,0]=3 239 B13R1.1511 CCOC(=O)C1=C(F)C=C(I)C=C1 E63026 [1,1,0,0,0,0|1,0,0]=3 240 B13R1.1511 CCOC(=O)C1=C(N)C=C(F)C=C1 E49827 [1,1,0,0,0,0|0,0,0]=2 241 B13R1.1511 CCOC(=O)C1=C(N)N=C(C)N=C1 E61753 [1,1,0,0,0,0|2,0,0]=4 242 B13R1.1511 CCOC(=O)C1=C(N)N=C(Cl)N=C1 E9779 [1,1,0,0,0,0|2,0,0]=4 243 B13R1.1511 CCOC(=O)C1=C(N)N=C(N)N=C1 E43698 [1,1,0,0,0,0|2,0,0]=4 244 B13R1.1511 CCOC(=O)C1=C(N)N=C(O)N=C1 E46354 [1,1,0,0,0,0|2,0,0]=4 245 B13R1.1511 CCOC(=O)C1=C(O)C=C(O)N=C1 E49350 [1,1,0,0,0,0|2,0,0]=4 246 B13R1.1511 CCOC(=O)C1=CC=C(Cl)N=C1Cl E48474 [1,1,0,0,0,0|2,0,0]=4 247 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1Cl D3751 [1,1,0,0,0,0|2,0,0]=4 248 B13R1.1511 CCOC(=O)C1=CN=C(Cl)C=C1N E49185 [1,1,0,0,0,0|1,0,0]=3 249 B13R1.1511 CCOC(=O)C1=NC=C(Br)C=C1C E38729 [1,1,0,0,0,0|1,0,0]=3 250 B13R1.1511 CCOC(=O)C1=NC=C(Cl)C=C1N E49184 [1,1,0,0,0,0|1,0,0]=3 251 B13R1.4453 CCOC(=O)C1=C(Br)C=CC=C1F E51576 [1,1,0,0,0,0|1,0,0]=3 252 B13R1.4453 CCOC(=O)C1=C(C)C=CN=C1Br E64011 [1,1,0,0,0,0|1,0,0]=3 253 B13R1.4453 CCOC(=O)C1=C(C)N=CC=C1C E52941 [1,1,0,0,0,0|1,0,0]=3 254 B13R1.4453 CCOC(=O)C1=C(C)N=CN=C1Cl E20484 [1,1,0,0,0,0|2,0,0]=4 255 B13R1.4453 CCOC(=O)C1=C(Cl)C=CC=C1N E49805 [1,1,0,0,0,0|0,0,0]=2 256 B13R1.4453 CCOC(=O)C1=C(Cl)C=CC=C1O E51986 [1,1,0,0,0,0|1,0,0]=3 257 B13R1.4453 CCOC(=O)C1=C(Cl)C=CN=C1Cl E67747 [1,1,0,0,0,0|2,0,0]=4 258 B13R1.4453 CCOC(=O)C1=C(F)C=CC=C1F E51613 [1,1,0,0,0,0|1,0,0]=3 259 B13R1.4453 CCOC(=O)C1=C(O)C=CC=C1C E52826 [1,1,0,0,0,0|0,0,0]=2 260 B15R1.1274 CCOC(=O)CC1=C([N+](=O)[O-])C=CC=C1 E52599 [0,1,0,0,0,1|1,0,1]=4 261 B15R1.9231 CCOC(=O)C1=C(OCC)C=C(C)C=C1 E56097 [0,2,0,0,0,0|1,0,0]=3 262 B15R1.16518 CCOC(=O)C1=C(OCC)C=CN=C1Cl E3746 [0,2,0,0,0,0|2,0,0]=4 263 B15R1.16518 CCOC(=O)C1=C(OCC)C=CNC1=O E52994 [0,2,0,0,0,0|2,0,0]=4 264 B15R1.811 CCOC(=O)C1=C(C(F)(F)F)C=CC=C1 E54006 [0,2,0,0,0,0|2,0,0]=4 265 B15R1.10569 CCOC(=O)C1=C([N+](=O)[O-])C=C(N)C=C1 E49743 [0,2,0,0,0,0|1,0,1]=4 266 B15R1.10602 CCOC(=O)C1=CC=CC(F)=C1[N+](=O)[O-] E51497 [0,2,0,0,0,0|1,0,1]=4 267 B15R1.10602 CCOC(=O)C1=CC=CC(N)=C1[N+](=O)[O-] E49742 [0,2,0,0,0,0|1,0,1]=4 268 B15R1.10554 CCOC(=O)C1=C(CBr)C=C(OC)C=C1 E54683 [0,2,0,0,0,0|2,0,0]=4 269 B15R1.10554 CCOC(=O)C1=C(NC)N=C(SC)N=C1 E50330 [0,2,0,0,0,0|2,0,0]=4 270 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 E69409 [0,0,1,1,0,0|1,0,1]=4 271 B13R1.466 CCOC(=O)C1=CC(C)=C(N)C=C1 E9474 [0,0,1,1,0,0|2,0,0]=4 272 B13R1.2909 CCOC(=O)C(=O)C1=NC=CN1C E6257 [0,0,1,1,0,0|2,0,0]=4 273 B13R2.32 C[C@H]1CCC2=C(C=CC=C2)C1=O M54547 [1,0,0,1,0,0|1,0,0]=3 274 B13R2.32 O=C1C2=C(C=CC=C2)CC[C@@H]1Br B54045 [1,0,0,1,0,0|2,0,0]=4 275 B13R2.371 C[C@H]1CCC(=O)C2=C1C=CC=C2 M54548 [1,0,0,1,0,0|1,0,0]=3 276 B13R2.371 O=C1CC[C@H](O)C2=C1C=CC=C2 H69542 [1,0,0,1,0,0|2,0,0]=4 277 B13R2.371 O=C1COC(=O)C2=C1C=CC=C2 C50991 [1,0,0,1,0,0|2,0,0]=4 278 B13R2.582 COC1=C2C(=O)CCC2=CC=C1 M52436 [1,0,0,1,0,0|1,0,0]=3 279 B13R2.582 COC1=C2C(=O)COC2=CC=C1 M51627 [1,0,0,1,0,0|2,0,0]=4 280 B13R2.1613 CCC1=NCCC2=C1C=CC=C2 E54603 [1,0,0,1,0,0|2,0,0]=4 281 B13R2.2931 CN1C=C(CN)C2=C1C=CC=C2 M14457 [1,0,0,1,0,0|2,0,0]=4 282 B13R2.2931 CN1N=C(CO)C2=C1C=CC=C2 H10488 [1,0,0,1,0,0|2,0,0]=4 283 B13R2.3085 CN1C(=O)C(=O)C2=C1C=CC=C2 M61712 [1,0,0,1,0,0|1,0,1]=4 284 B13R2.5252 O=C1CCCNC2=C1C=CC=C2 T16671 [1,0,0,1,0,0|0,0,0]=2 285 B13R2.5252 O=C1CCNCC2=C1C=CC=C2 D64500 [1,0,0,1,0,0|2,0,0]=4 286 B13R2.5252 O=C1NCCCC2=C1C=CC=C2 T52555 [1,0,0,1,0,0|2,0,0]=4 287 B13R2.5252 O=C1NCCNC2=C1C=CC=C2 D69503 [1,0,0,1,0,0|1,0,0]=3 288 B13R2.67 C1=CC2=C(C=C1)NCCCNC2 H53029 [1,0,0,1,0,0|1,0,1]=4 289 B13R2.328 CC1=CC(=O)C2=C(C=CC=C2)N1 M53903 [1,0,0,1,0,0|1,0,1]=4 290 B13R2.328 CC1=NC2=C(C=CC=C2)C(=O)O1 M51186 [1,0,0,1,0,0|0,0,2]=4 291 B13R2.328 O=C1CC2=C(C=CC=C2)C(=O)O1 C68327 [1,0,0,1,0,0|1,0,1]=4 292 B13R2.328 O=C1NC2=C(C=CC=C2)C(=O)O1 B65464 [1,0,0,1,0,0|1,0,1]=4 293 B13R2.4818 CC1=CC=CC2=C1C(=O)CCO2 M63737 [1,0,0,1,0,0|2,0,0]=4 294 B13R2.4818 CC1=CC=CC2=C1C(=O)NCC2 M52554 [1,0,0,1,0,0|1,0,0]=3 295 B15R2.73 CCOC(=O)C1=CNC2=C1C=CC=C2 E54411 [0,0,0,1,0,1|0,0,1]=3 296 B15R2.73 CCOC(=O)C1=CNC2=C1C=CN=C2 E39027 [0,0,0,1,0,1|1,0,1]=4 297 B15R2.73 CCOC(=O)C1=NNC2=C1C=CC=C2 E9329 [0,0,0,1,0,1|1,0,0]=3 298 B15R2.73 CCOC(=O)C1=NNC2=C1C=CN=C2 E16291 [0,0,0,1,0,1|2,0,0]=4 299 B15R2.73 CCOC(=O)C1=NNC2=CC=CN=C21 P0521 [0,0,0,1,0,1|2,0,0]=4 300 B15R2.73 CCOC(=O)C1=NOC2=C1C=CC=C2 E67795 [0,0,0,1,0,1|2,0,0]=4 301 B15R2.17340 CCOC(=O)C1=C2C=CNC2=CC=C1 E54412 [0,1,0,1,0,0|1,0,1]=4 302 B15R2.17340 CCOC(=O)C1=C2NC=CC2=CC=C1 E54413 [0,1,0,1,0,0|0,0,1]=3 303 B15R2.17340 CCOC(=O)C1=C2NC=NC2=CC=C1 E52315 [0,1,0,1,0,0|0,0,1]=3 304 B15R2.17340 CCOC(=O)C1=C2NC=NC2=CN=C1 E18323 [0,1,0,1,0,0|1,0,1]=4 305 B15R2.17340 CCOC(=O)C1=C2NN=CC2=CC=C1 I6105 [0,1,0,1,0,0|0,0,1]=3 306 B15R2.20946 COC1=C2C(=O)CC(C)(C)C2=CC=C1 M32335 [0,1,0,1,0,0|2,0,0]=4 307 B15R2.13626 CN1C(=O)OC(=O)C2=C(Cl)C=CC=C21 C50899 [0,1,0,1,0,0|1,0,1]=4 308 B11R1.59 COC(=O)C1=C(OC)C=CS1 M61504 [1,0,0,0,1,0|2,0,0]=4 309 B11R1.199 CCOC(=O)C1=C(Br)SC=C1 E45905 [1,0,0,0,1,0|2,0,0]=4 310 B11R1.199 CCOC(=O)C1=C(C)C=CN1 E7945 [1,0,0,0,1,0|1,0,0]=3 311 B11R1.199 CCOC(=O)C1=C(C)N=CO1 E46426 [1,0,0,0,1,0|2,0,0]=4 312 B11R1.199 CCOC(=O)C1=C(C)NC=C1 E46928 [1,0,0,0,1,0|1,0,0]=3 313 B11R1.199 CCOC(=O)C1=C(C)NC=N1 E38567 [1,0,0,0,1,0|2,0,0]=4 314 B11R1.199 CCOC(=O)C1=C(C)OC=N1 E46427 [1,0,0,0,1,0|2,0,0]=4 315 B11R1.199 CCOC(=O)C1=C(C)ON=C1 E46429 [1,0,0,0,1,0|2,0,0]=4 316 B11R1.199 CCOC(=O)C1=C(C)SC=N1 M4176 [1,0,0,0,1,0|2,0,0]=4 317 B11R1.199 CCOC(=O)C1=C(F)C=CN1 E8047 [1,0,0,0,1,0|2,0,0]=4 318 B11R1.199 CCOC(=O)C1=C(N)C=CN1 A2113 [1,0,0,0,1,0|1,0,0]=3 319 B11R1.199 CCOC(=O)C1=C(N)C=CN1 E1446 [1,0,0,0,1,0|1,0,0]=3 320 B11R1.199 CCOC(=O)C1=C(N)N=CS1 E43236 [1,0,0,0,1,0|2,0,0]=4 321 B11R1.199 CCOC(=O)C1=C(N)NC=C1 E1851 [1,0,0,0,1,0|1,0,0]=3 322 B11R1.199 CCOC(=O)C1=C(N)NC=N1 E37693 [1,0,0,0,1,0|2,0,0]=4 323 B11R1.199 CCOC(=O)C1=C(N)NN=C1 E32292 [1,0,0,0,1,0|2,0,0]=4 324 B11R1.199 CCOC(=O)C1=C(N)ON=C1 E43244 [1,0,0,0,1,0|2,0,0]=4 325 B11R1.199 CCOC(=O)C1=C(N)SC=C1 E46417 [1,0,0,0,1,0|1,0,0]=3 326 B11R1.199 CCOC(=O)C1=C(N)SC=N1 E43237 [1,0,0,0,1,0|2,0,0]=4 327 B11R1.199 CCOC(=O)C1=CC=NN1C E43657 [1,0,0,0,1,0|2,0,0]=4 328 B11R1.199 CCOC(=O)C1=CN=CN1N E43362 [1,0,0,0,1,0|2,0,0]=4 329 B11R1.199 CCOC(=O)C1=CNC=C1C E46929 [1,0,0,0,1,0|1,0,0]=3 330 B11R1.199 CCOC(=O)C1=CNN=C1C E9772 [1,0,0,0,1,0|2,0,0]=4 331 B11R1.199 CCOC(=O)C1=CNN=C1N E24963 [1,0,0,0,1,0|2,0,0]=4 332 B11R1.199 CCOC(=O)C1=NC=CN1C E43661 [1,0,0,0,1,0|2,0,0]=4 333 B11R1.199 CCOC(=O)C1=NNC=C1C E43658 [1,0,0,0,1,0|2,0,0]=4 334 B15R1.768 CCOC(=O)COC1=C(OC)C=CC=C1 E54805 [0,0,0,0,0,2|1,0,0]=3