0 B10R1.113 CC(=O)C1=CC(Br)=CC=C1 CS18865 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.113 CC(=O)C1=CC(Br)=CN=C1 CS18282 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.113 CC(=O)C1=CC(C)=CN=C1 CS16656 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.113 CC(=O)C1=CC(C)=NC=C1 CS18206 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.113 CC(=O)C1=CC(Cl)=CC=C1 CS19798 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.113 CC(=O)C1=CC(Cl)=CN=C1 MC116273 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.113 CC(=O)C1=CC(F)=CC=C1 CS19067 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.113 CC(=O)C1=CC(F)=CN=C1 MC443199 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.113 CC(=O)C1=CC(I)=CC=C1 MC33049 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.113 CC(=O)C1=CC(N)=CC=C1 CS19441 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.113 CC(=O)C1=CC(O)=CC=C1 CS18681 [0,0,0,0,0,0|3,0,0]=3 11 B10R1.113 CC(=O)C1=CC=CC(C)=C1 CS19159 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.113 CC(=O)C1=NC(Br)=CC=C1 CS17202 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.113 CC(=O)C1=NC(C)=CC=C1 CS18426 [0,0,0,0,0,0|1,0,0]=1 14 B10R1.113 CC(=O)C1=NC=CC(Cl)=C1 MC441210 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.113 CC(=O)C1=NC=CC(F)=C1 MC430529 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.113 CC(=O)C1=NC=CC(O)=N1 MC430457 [0,0,0,0,0,0|3,0,0]=3 17 B10R1.113 CC(C)C1=CC=CC(Br)=N1 MC434005 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.113 CC(C)C1=CC=CC(N)=N1 MC425411 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.113 CC(N)C1=CC(Cl)=NC=C1 MC105378 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.113 CC(O)C1=CC(F)=NC=C1 MC432297 [0,0,0,0,0,0|2,0,2]=4 21 B10R1.113 CC(O)C1=CC(N)=NC=C1 MC425261 [0,0,0,0,0,0|2,0,2]=4 22 B10R1.113 CC(O)C1=NC(Br)=CC=C1 CS14015 [0,0,0,0,0,0|2,0,2]=4 23 B10R1.113 CC1=CC(C(=O)O)=CN=C1 CS20319 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.113 CC1=CC(C(=O)O)=NC=C1 CS22984 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.113 CC1=CC(C(C)N)=CC=C1 CS17345 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.113 CC1=CC(C(N)=O)=CN=C1 MC33520 [0,0,0,0,0,0|4,0,0]=4 27 B10R1.113 CC1=CC=CC(B(O)O)=N1 MC106708 [0,0,0,0,0,0|3,0,1]=4 28 B10R1.113 CC1=CC=CC(C(=N)N)=C1 CS20438 [0,0,0,0,0,0|4,0,0]=4 29 B10R1.113 CC1=CC=CC(C(=O)Cl)=C1 MC20748 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.113 CC1=CC=CC(C(=O)O)=C1 CS19799 [0,0,0,0,0,0|3,0,0]=3 31 B10R1.113 CC1=CC=CC(C(=O)O)=N1 CS16317 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.113 CC1=CC=CC(C(O)=S)=C1 MC433710 [0,0,0,0,0,0|3,0,1]=4 33 B10R1.113 CC1=NC(C(=N)N)=NC=C1 MC444358 [0,0,0,0,0,0|4,0,0]=4 34 B10R1.113 CC1=NC(C(=O)O)=CN=C1 MC10465 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.113 CC1=NC(C(=O)O)=NC=C1 MC104691 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.113 CC1=NC=CC(B(O)O)=C1 CS18378 [0,0,0,0,0,0|3,0,1]=4 37 B10R1.113 CC1=NC=CC(C(=O)O)=C1 CS19546 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.113 CC1=NC=CC(C(=O)O)=N1 CS19716 [0,0,0,0,0,0|1,0,0]=1 39 B10R1.113 CC1=NC=CC(C(C)N)=C1 MC110560 [0,0,0,0,0,0|2,0,1]=3 40 B10R1.113 CC1=NC=CC([N+](=O)[O-])=C1 CS13626 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.113 CN(C)C1=CC(Br)=NC=C1 CS14908 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.113 CN(C)C1=CC(Cl)=NC=C1 MC441248 [0,0,0,0,0,0|4,0,0]=4 43 B10R1.113 CN(C)C1=CC(F)=NC=C1 MC33464 [0,0,0,0,0,0|4,0,0]=4 44 B10R1.113 CN(C)C1=NC(Br)=CC=C1 MC442251 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.113 NC(=O)C1=CC(Br)=CC=C1 CS22167 [0,0,0,0,0,0|4,0,0]=4 46 B10R1.113 NC(=O)C1=CC(Cl)=NC=C1 CS17785 [0,0,0,0,0,0|3,0,0]=3 47 B10R1.113 NC(=O)C1=CC(N)=CC=C1 MC433795 [0,0,0,0,0,0|4,0,0]=4 48 B10R1.113 NC(=O)C1=CC(N)=NC=C1 MC425286 [0,0,0,0,0,0|3,0,0]=3 49 B10R1.113 NC(=O)C1=NC(Cl)=NC=C1 MC444184 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.113 NC1=CC(C(=O)O)=NC=N1 MC425236 [0,0,0,0,0,0|4,0,0]=4 51 B10R1.113 NC1=CC=CC(C(=O)O)=C1 CS13396 [0,0,0,0,0,0|4,0,0]=4 52 B10R1.113 NC1=CC=CC(C(=O)O)=N1 CS19355 [0,0,0,0,0,0|3,0,0]=3 53 B10R1.113 NC1=CN=CC(C(=O)O)=N1 CS12628 [0,0,0,0,0,0|4,0,0]=4 54 B10R1.113 NC1=NC([N+](=O)[O-])=CC=C1 CS18013 [0,0,0,0,0,0|4,0,0]=4 55 B10R1.113 NC1=NC=CC(C(=O)O)=C1 CS23021 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.113 NC1=NC=CC(C(=O)O)=N1 MC10396 [0,0,0,0,0,0|2,0,0]=2 57 B10R1.113 NC1=NC=CC([N+](=O)[O-])=C1 MC425264 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.113 O=C(Cl)C1=CC(Br)=CC=C1 MC40439 [0,0,0,0,0,0|4,0,0]=4 59 B10R1.113 O=C(Cl)C1=CC(Cl)=CC=C1 MC40449 [0,0,0,0,0,0|4,0,0]=4 60 B10R1.113 O=C(Cl)C1=CC(F)=CC=C1 MC40473 [0,0,0,0,0,0|4,0,0]=4 61 B10R1.113 O=C(O)C1=CC(Br)=CC=C1 CS15122 [0,0,0,0,0,0|4,0,0]=4 62 B10R1.113 O=C(O)C1=CC(Br)=NC=C1 MC20488 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.113 O=C(O)C1=CC(Cl)=CC=C1 CS14882 [0,0,0,0,0,0|4,0,0]=4 64 B10R1.113 O=C(O)C1=CC(Cl)=NC=C1 CS18845 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.113 O=C(O)C1=CC(F)=CC=C1 CS10368 [0,0,0,0,0,0|4,0,0]=4 66 B10R1.113 O=C(O)C1=CC(F)=NC=C1 CS18886 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.113 O=C(O)C1=CC(I)=CC=C1 CS10375 [0,0,0,0,0,0|4,0,0]=4 68 B10R1.113 O=C(O)C1=CC(O)=CC=C1 CS19800 [0,0,0,0,0,0|4,0,0]=4 69 B10R1.113 O=C(O)C1=CC(S)=CC=C1 MC20304 [0,0,0,0,0,0|4,0,0]=4 70 B10R1.113 O=C(O)C1=CN=NC(Cl)=C1 CS17230 [0,0,0,0,0,0|4,0,0]=4 71 B10R1.113 O=C(O)C1=NC(Br)=CC=C1 CS22087 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.113 O=C(O)C1=NC(Br)=CN=C1 MC441120 [0,0,0,0,0,0|4,0,0]=4 73 B10R1.113 O=C(O)C1=NC(Br)=NC=C1 MC443368 [0,0,0,0,0,0|2,0,0]=2 74 B10R1.113 O=C(O)C1=NC(Cl)=CC=C1 CS21854 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.113 O=C(O)C1=NC(Cl)=CN=C1 CS12423 [0,0,0,0,0,0|4,0,0]=4 76 B10R1.113 O=C(O)C1=NC(Cl)=NC=C1 CS17265 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.113 O=C(O)C1=NC(F)=CC=C1 CS14295 [0,0,0,0,0,0|3,0,0]=3 78 B10R1.113 O=C(O)C1=NC(O)=CC=C1 CS22114 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.113 O=C(O)C1=NC=NC(Cl)=C1 MC444429 [0,0,0,0,0,0|4,0,0]=4 80 B10R1.113 O=C(O)C1=NC=NC(O)=C1 CS17537 [0,0,0,0,0,0|4,0,0]=4 81 B10R1.113 O=C([O-])C1=CC(Cl)=CC=C1 MC40336 [0,0,0,0,0,0|4,0,0]=4 82 B10R1.113 O=C([O-])C1=CC(F)=CC=C1 MC40350 [0,0,0,0,0,0|4,0,0]=4 83 B10R1.113 O=C1N=CC=C(C(=O)O)N1 CS12225 [0,0,0,0,0,0|2,0,1]=3 84 B10R1.113 O=[N+]([O-])C1=CC(Br)=NC=C1 MC425244 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.113 O=[N+]([O-])C1=CC(Cl)=NC=C1 CS21846 [0,0,0,0,0,0|4,0,0]=4 86 B10R1.113 O=[N+]([O-])C1=CC(F)=NC=C1 MC429946 [0,0,0,0,0,0|4,0,0]=4 87 B10R1.113 O=[N+]([O-])C1=CC(O)=NC=C1 CS21588 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.113 O=[N+]([O-])C1=CC=CC(Br)=N1 CS13936 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.113 O=[N+]([O-])C1=CC=CC(Cl)=N1 CS21489 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.2 C#CC1=CC(C)=NC=C1 MC103098 [1,0,0,0,0,0|1,0,2]=4 91 B9R1.2 C#CC1=NC(C)=CC=C1 MC103100 [1,0,0,0,0,0|1,0,2]=4 92 B9R1.2 C#CC1=NC(Cl)=NC=C1 MC103297 [1,0,0,0,0,0|1,0,2]=4 93 B9R1.2 C#CC1=NC(N)=NC=C1 MC102188 [1,0,0,0,0,0|1,0,2]=4 94 B9R1.2 CC1=CC(C=O)=CN=C1 MC425681 [1,0,0,0,0,0|3,0,0]=4 95 B9R1.2 CC1=CC(C=O)=NC=C1 CS19123 [1,0,0,0,0,0|3,0,0]=4 96 B9R1.2 CC1=CC=CC(C#N)=N1 CS15464 [1,0,0,0,0,0|2,0,1]=4 97 B9R1.2 CC1=CC=CC(C=O)=C1 MC41127 [1,0,0,0,0,0|2,0,0]=3 98 B9R1.2 CC1=CC=CC(C=O)=N1 MC41626 [1,0,0,0,0,0|1,0,0]=2 99 B9R1.2 CC1=CC=CC(CBr)=N1 MC41602 [1,0,0,0,0,0|2,0,1]=4 100 B9R1.2 CC1=CC=CC(CN)=N1 CS18414 [1,0,0,0,0,0|2,0,1]=4 101 B9R1.2 CC1=CC=CC(CO)=N1 MC20920 [1,0,0,0,0,0|1,0,2]=4 102 B9R1.2 CC1=CC=CC(NN)=N1 MC429683 [1,0,0,0,0,0|3,0,0]=4 103 B9R1.2 CC1=NC(C=O)=NC=C1 MC104692 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.2 CC1=NC=CC(C#N)=C1 MC21144 [1,0,0,0,0,0|2,0,1]=4 105 B9R1.2 CC1=NC=CC(C=O)=C1 CS15441 [1,0,0,0,0,0|1,0,0]=2 106 B9R1.2 CC1=NC=CC(C=O)=N1 CS19715 [1,0,0,0,0,0|0,0,0]=1 107 B9R1.2 CC1=NC=CC(CN)=C1 MC443686 [1,0,0,0,0,0|2,0,1]=4 108 B9R1.2 CCC1=CC=CC(Br)=N1 CS15322 [1,0,0,0,0,0|2,0,1]=4 109 B9R1.2 CCC1=CC=CC(C)=C1 MC425590 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.2 CNC1=CC(Br)=NC=C1 MC442736 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.2 COC1=CC(Br)=NC=C1 CS16230 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.2 COC1=CC(Cl)=NC=C1 CS19311 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.2 COC1=CC(F)=NC=C1 CS14826 [1,0,0,0,0,0|3,0,0]=4 114 B9R1.2 COC1=CC(N)=NC=C1 CS19522 [1,0,0,0,0,0|3,0,0]=4 115 B9R1.2 COC1=CC=CC(Br)=N1 CS14301 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.2 COC1=CC=CC(Cl)=N1 CS13826 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.2 COC1=CC=CC(F)=N1 CS13652 [1,0,0,0,0,0|3,0,0]=4 118 B9R1.2 COC1=CC=CC(I)=N1 CS18075 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.2 COC1=CC=CC(N)=N1 CS13845 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.2 COC1=CC=CC(O)=N1 MC428307 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.2 COC1=NC(Br)=NC=C1 CS12506 [1,0,0,0,0,0|2,0,0]=3 122 B9R1.2 COC1=NC(C)=CC=C1 CS15396 [1,0,0,0,0,0|2,0,0]=3 123 B9R1.2 COC1=NC(C)=NC=C1 CS11919 [1,0,0,0,0,0|1,0,0]=2 124 B9R1.2 COC1=NC(Cl)=NC=C1 CS21447 [1,0,0,0,0,0|2,0,0]=3 125 B9R1.2 COC1=NC(I)=NC=C1 CS11917 [1,0,0,0,0,0|2,0,0]=3 126 B9R1.2 COC1=NC(N)=NC=C1 MC441214 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.2 CSC1=CC=CC(Br)=N1 MC442232 [1,0,0,0,0,0|3,0,0]=4 128 B9R1.2 CSC1=NC(Cl)=NC=C1 CS19934 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.2 Cc1cc(C#N)ccn1 MC115556 [1,0,0,0,0,0|2,0,1]=4 130 B9R1.2 N#CC1=NC(Br)=NC=C1 MC442230 [1,0,0,0,0,0|2,0,1]=4 131 B9R1.2 N#CC1=NC(Cl)=NC=C1 CS10116 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.2 NC1=CC=CC(C=O)=N1 MC110929 [1,0,0,0,0,0|2,0,0]=3 133 B9R1.2 NC1=NC=CC(C=O)=C1 CS18505 [1,0,0,0,0,0|2,0,0]=3 134 B9R1.2 NC1=NC=CC(C=O)=C1 MC103369 [1,0,0,0,0,0|2,0,0]=3 135 B9R1.2 NC1=NC=CC(CF)=N1 MC430731 [1,0,0,0,0,0|2,0,1]=4 136 B9R1.2 NC1=NC=CC(CO)=N1 CS21291 [1,0,0,0,0,0|1,0,2]=4 137 B9R1.2 NCC1=NC(O)=NC=C1 MC104065 [1,0,0,0,0,0|2,0,1]=4 138 B9R1.2 NNC1=NC(Cl)=NC=C1 CS16010 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.2 O=CC1=CC(Br)=CC=C1 CS18958 [1,0,0,0,0,0|3,0,0]=4 140 B9R1.2 O=CC1=CC(Br)=NC=C1 CS18783 [1,0,0,0,0,0|2,0,0]=3 141 B9R1.2 O=CC1=CC(Cl)=CC=C1 MC20579 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.2 O=CC1=CC(F)=CC=C1 CS22298 [1,0,0,0,0,0|3,0,0]=4 143 B9R1.2 O=CC1=CC(F)=NC=C1 MC431324 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.2 O=CC1=CC(I)=CC=C1 CS20132 [1,0,0,0,0,0|3,0,0]=4 145 B9R1.2 O=CC1=CC(O)=CC=C1 MC20422 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.2 O=CC1=NC(Br)=CC=C1 CS22094 [1,0,0,0,0,0|2,0,0]=3 147 B9R1.2 O=CC1=NC(Cl)=CC=C1 CS19944 [1,0,0,0,0,0|2,0,0]=3 148 B9R1.2 O=CC1=NC(Cl)=CN=C1 MC103056 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.2 O=CC1=NC(Cl)=NC=C1 MC104746 [1,0,0,0,0,0|1,0,0]=2 150 B9R1.2 O=CC1=NC(F)=CC=C1 CS13928 [1,0,0,0,0,0|2,0,0]=3 151 B9R1.2 O=CC1=NC=NC(Cl)=C1 MC430292 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.6 C=C(C)C1=CC=NC=C1 MC111872 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.6 CC(=O)C1=CC=CC=C1 MC41221 [1,0,0,0,0,0|2,0,0]=3 154 B9R1.6 CC(=O)C1=CC=CN=C1 CS18256 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.6 CC(=O)C1=CC=CN=N1 MC444225 [1,0,0,0,0,0|2,0,0]=3 156 B9R1.6 CC(=O)C1=CC=NC=C1 CS22535 [1,0,0,0,0,0|1,0,0]=2 157 B9R1.6 CC(=O)C1=CN=NC=C1 MC444309 [1,0,0,0,0,0|2,0,0]=3 158 B9R1.6 CC(=O)C1=NC=CC=C1 CS18611 [1,0,0,0,0,0|1,0,0]=2 159 B9R1.6 CC(=O)C1=NC=CC=N1 MC444159 [1,0,0,0,0,0|2,0,0]=3 160 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [1,0,0,0,0,0|2,0,0]=3 161 B9R1.6 CC(=O)C1=NC=NC=C1 MC442362 [1,0,0,0,0,0|0,0,0]=1 162 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [1,0,0,0,0,0|2,0,1]=4 163 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [1,0,0,0,0,0|2,0,1]=4 164 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [1,0,0,0,0,0|2,0,1]=4 165 B9R1.6 CC(N)C1=NC=NC=C1 MC103926 [1,0,0,0,0,0|1,0,1]=3 166 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [1,0,0,0,0,0|1,0,2]=4 167 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [1,0,0,0,0,0|1,0,2]=4 168 B9R1.6 CN(C)C1=CC=NC=C1 CS13386 [1,0,0,0,0,0|3,0,0]=4 169 B9R1.6 C[PH](=O)C1=CC=CC=C1 CS16386 [1,0,0,0,0,0|3,0,0]=4 170 B9R1.6 N=C(N)C1=NC=CC=C1 CS19100 [1,0,0,0,0,0|3,0,0]=4 171 B9R1.6 NC(=O)C1=CC=CC=C1 CS10962 [1,0,0,0,0,0|3,0,0]=4 172 B9R1.6 NC(=O)C1=CC=NC=C1 CS13721 [1,0,0,0,0,0|2,0,0]=3 173 B9R1.6 NC(=O)C1=NC=CC=C1 CS11910 [1,0,0,0,0,0|2,0,0]=3 174 B9R1.6 NC(=O)C1=NC=CN=C1 CS13379 [1,0,0,0,0,0|3,0,0]=4 175 B9R1.6 NC(=O)C1=NC=CN=C1 MC427375 [1,0,0,0,0,0|3,0,0]=4 176 B9R1.6 O=C(Cl)C1=CC=CC=C1 MC40435 [1,0,0,0,0,0|3,0,0]=4 177 B9R1.6 O=C(Cl)C1=NC=CC=C1 CS11857 [1,0,0,0,0,0|2,0,0]=3 178 B9R1.6 O=C(O)C1=CC=CC=C1 MC40233 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.6 O=C(O)C1=CC=CN=N1 CS19741 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.6 O=C(O)C1=CN=NC=C1 MC41706 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.6 O=C(O)C1=NC=CC=C1 CS13384 [1,0,0,0,0,0|2,0,0]=3 182 B9R1.6 O=C(O)C1=NC=CC=N1 CS18229 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.6 O=C(O)C1=NC=CN=C1 CS17531 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.6 O=C(O)C1=NC=NC=C1 CS14129 [1,0,0,0,0,0|1,0,0]=2 185 B9R1.6 OB(O)C1=NC=NC=C1 MC20899 [1,0,0,0,0,0|2,0,1]=4 186 B11R1.21 CC(=O)C1=CC(Br)=C(C)C=C1 MC41231 [0,1,0,0,0,0|3,0,0]=4 187 B11R1.21 CC(=O)C1=CC(Br)=C(F)C=C1 MC41229 [0,1,0,0,0,0|3,0,0]=4 188 B11R1.21 CC(=O)C1=CC(Br)=C(N)C=C1 CS20410 [0,1,0,0,0,0|3,0,0]=4 189 B11R1.21 CC(=O)C1=CC(C)=C(Cl)C=C1 MC41240 [0,1,0,0,0,0|2,0,0]=3 190 B11R1.21 CC(=O)C1=CC(C)=C(Cl)N=C1 MC115594 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.21 CC(=O)C1=CC(C)=C(F)C=C1 CS21693 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.21 CC(=O)C1=CC(Cl)=C(Br)C=C1 CS15561 [0,1,0,0,0,0|3,0,0]=4 193 B11R1.21 CC(=O)C1=CC(Cl)=C(Cl)C=C1 CS10715 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.21 CC(=O)C1=CC(Cl)=C(F)C=C1 CS18939 [0,1,0,0,0,0|3,0,0]=4 195 B11R1.21 CC(=O)C1=CC(F)=C(Br)C=C1 CS22282 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.21 CC(=O)C1=CC(F)=C(N)C=C1 CS16308 [0,1,0,0,0,0|3,0,0]=4 197 B11R1.21 CC(=O)C1=CC(F)=C(O)C=C1 CS10813 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.21 CC(=O)C1=CC(O)=C(O)C=C1 CS10863 [0,1,0,0,0,0|3,0,0]=4 199 B11R1.21 CC(=O)c1ccc(Br)c(Br)c1 MC433228 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.21 CC(=O)c1ccc(Cl)c(F)c1 MC433221 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.21 CC(=O)c1ccc(Cl)c(N)c1 MC433203 [0,1,0,0,0,0|3,0,0]=4 202 B11R1.21 CC(=O)c1ccc(F)c(F)c1 CS19019 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.21 CC(=O)c1ccc(F)c(N)c1 MC433205 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=C1 MC433136 [0,1,0,0,0,0|3,0,0]=4 205 B11R1.21 CC1=C(Br)C=CC(C(=O)O)=N1 MC431672 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.21 CC1=C(Br)C=CC(C(N)=O)=C1 MC41013 [0,1,0,0,0,0|3,0,0]=4 207 B11R1.21 CC1=C(C)C=C(C(=O)O)C=C1 CS21076 [0,1,0,0,0,0|3,0,0]=4 208 B11R1.21 CC1=C(C)N=C(C(=O)O)C=C1 MC111082 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.21 CC1=C(C)N=C(C(=O)O)C=N1 CS16867 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.21 CC1=C(Cl)C=CC(C(=O)Cl)=C1 MC433626 [0,1,0,0,0,0|3,0,0]=4 211 B11R1.21 CC1=C(Cl)C=CC(C(=O)O)=C1 CS19324 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.21 CC1=C(Cl)N=C(C(=O)O)C=C1 CS14760 [0,1,0,0,0,0|3,0,0]=4 213 B11R1.21 CC1=C(F)C=CC(C(=O)Cl)=C1 MC40481 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.21 CC1=C(F)C=CC(C(=O)O)=C1 CS14298 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.21 CC1=C(F)C=CC(C(=O)O)=N1 CS12903 [0,1,0,0,0,0|2,0,0]=3 216 B11R1.21 CC1=C(N)C=CC(C(=O)O)=C1 CS21001 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.21 CC1=C(O)C=CC(C(=O)O)=C1 CS20947 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.21 NC(=O)C1=NC(Br)=C(Cl)C=C1 MC108007 [0,1,0,0,0,0|3,0,0]=4 219 B11R1.21 NC(=O)C1=NC(Cl)=C(Br)C=C1 MC108013 [0,1,0,0,0,0|3,0,0]=4 220 B11R1.21 NC(=O)C1=NC(Cl)=C(Cl)C=C1 MC110050 [0,1,0,0,0,0|3,0,0]=4 221 B11R1.21 O=C(Cl)C1=NC(Br)=C(F)C=C1 MC106017 [0,1,0,0,0,0|3,0,0]=4 222 B11R1.21 O=C(O)C1=NC(Br)=C(F)C=C1 CS13224 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.21 O=C(O)C1=NC(Cl)=C(Cl)C=C1 CS15048 [0,1,0,0,0,0|3,0,0]=4 224 B11R1.21 O=C(O)C1=NC(Cl)=C(F)C=C1 CS15050 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.21 O=C(O)C1=NC(Cl)=C(O)C=C1 MC432469 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.21 O=C(O)C1=NC(O)=C(F)C=C1 CS17967 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.23 CCC(=O)C1=CC(Br)=CC=C1 MC41278 [0,1,0,0,0,0|3,0,0]=4 228 B11R1.23 CCC(=O)C1=CC(Cl)=CC=C1 MC41280 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.23 CCC(=O)C1=CC(F)=CC=C1 MC41284 [0,1,0,0,0,0|3,0,0]=4 230 B11R1.23 CCC(=O)C1=CC(N)=CC=C1 MC433258 [0,1,0,0,0,0|3,0,0]=4 231 B11R1.23 COC(=O)C1=CC(=O)NC=C1 CS11585 [0,1,0,0,0,0|2,0,1]=4 232 B11R1.23 COC(=O)C1=CC(Br)=CC=C1 CS20038 [0,1,0,0,0,0|3,0,0]=4 233 B11R1.23 COC(=O)C1=CC(C)=CC=C1 MC40113 [0,1,0,0,0,0|2,0,0]=3 234 B11R1.23 COC(=O)C1=CC(Cl)=CC=C1 CS11622 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.23 COC(=O)C1=CC(Cl)=NC=C1 CS18382 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.23 COC(=O)C1=CC(F)=CC=C1 MC40102 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.23 COC(=O)C1=CC(I)=CC=C1 CS19204 [0,1,0,0,0,0|3,0,0]=4 238 B11R1.23 COC(=O)C1=CC(N)=CC=C1 MC40055 [0,1,0,0,0,0|3,0,0]=4 239 B11R1.23 COC(=O)C1=CC(N)=NC=C1 CS19528 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.23 COC(=O)C1=CC(N)=NC=C1 MC442551 [0,1,0,0,0,0|2,0,0]=3 241 B11R1.23 COC(=O)C1=CC(O)=CC=C1 CS13404 [0,1,0,0,0,0|3,0,0]=4 242 B11R1.23 COC(=O)C1=CC(S)=CC=C1 MC100369 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.23 COC(=O)C1=CC(S)=NC=C1 MC430617 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.23 COC(=O)C1=CC=CC(=O)N1 CS15010 [0,1,0,0,0,0|2,0,1]=4 245 B11R1.23 COC(=O)C1=CN=CC(C)=C1 CS11660 [0,1,0,0,0,0|3,0,0]=4 246 B11R1.23 COC(=O)C1=CN=NC(Cl)=C1 CS12304 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.23 COC(=O)C1=NC(Br)=CC=C1 CS18917 [0,1,0,0,0,0|2,0,0]=3 248 B11R1.23 COC(=O)C1=NC(Br)=CN=C1 CS12870 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.23 COC(=O)C1=NC(Br)=NC=C1 CS15709 [0,1,0,0,0,0|1,0,0]=2 250 B11R1.23 COC(=O)C1=NC(C)=CC=C1 CS12275 [0,1,0,0,0,0|1,0,0]=2 251 B11R1.23 COC(=O)C1=NC(C)=CN=C1 MC110937 [0,1,0,0,0,0|2,0,0]=3 252 B11R1.23 COC(=O)C1=NC(C)=NC=C1 CS15096 [0,1,0,0,0,0|0,0,0]=1 253 B11R1.23 COC(=O)C1=NC(Cl)=CC=C1 CS10671 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.23 COC(=O)C1=NC(Cl)=CN=C1 CS12231 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.23 COC(=O)C1=NC(Cl)=NC=C1 CS12287 [0,1,0,0,0,0|1,0,0]=2 256 B11R1.23 COC(=O)C1=NC(N)=CC=C1 CS10610 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.23 COC(=O)C1=NC(N)=NC=C1 CS15550 [0,1,0,0,0,0|1,0,0]=2 258 B11R1.23 COC(=O)C1=NC=CC(Br)=N1 MC431545 [0,1,0,0,0,0|3,0,0]=4 259 B11R1.23 COC(=O)C1=NC=CC(C)=C1 MC431617 [0,1,0,0,0,0|3,0,0]=4 260 B11R1.23 COC(=O)C1=NC=CC(C)=N1 CS12268 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.23 COC(=O)C1=NC=CC(Cl)=N1 MC431559 [0,1,0,0,0,0|3,0,0]=4 262 B11R1.23 O=C(CBr)C1=CC(Br)=CC=C1 MC41245 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.23 O=C(CBr)C1=CC(Cl)=CC=C1 CS19056 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.23 O=C(CBr)C1=CC(Cl)=NC=C1 MC431210 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.23 O=C(CBr)C1=CC(F)=CC=C1 CS15383 [0,1,0,0,0,0|3,0,0]=4 266 B11R1.23 O=C(CBr)C1=CC(O)=CC=C1 MC433217 [0,1,0,0,0,0|3,0,0]=4 267 B11R1.23 O=C(CCl)C1=CC(Cl)=CC=C1 MC20163 [0,1,0,0,0,0|3,0,0]=4 268 B11R1.74 CC(=O)C1=CC(Br)=CC(F)=C1 MC111196 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.74 CC(=O)C1=CC(C)=CC(C)=C1 CS11107 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.74 CC(=O)C1=CC(Cl)=CC(Cl)=C1 CS10716 [0,1,0,0,0,0|3,0,0]=4 271 B11R1.74 CC(=O)C1=CC(Cl)=CC(F)=C1 MC41238 [0,1,0,0,0,0|3,0,0]=4 272 B11R1.74 CC(=O)C1=CC(F)=CC(F)=C1 MC30105 [0,1,0,0,0,0|3,0,0]=4 273 B11R1.74 CC(=O)C1=NC(C)=CC(C)=C1 CS15839 [0,1,0,0,0,0|1,0,0]=2 274 B11R1.74 CC(=O)C1=NC(C)=CC(Cl)=C1 MC427325 [0,1,0,0,0,0|1,0,0]=2 275 B11R1.74 CC(=O)c1cc(Br)cc(Br)c1 MC433229 [0,1,0,0,0,0|3,0,0]=4 276 B11R1.74 CC(C)C1=CC(Cl)=NC(N)=N1 MC10364 [0,1,0,0,0,0|2,0,1]=4 277 B11R1.74 CC1=CC(C(=O)O)=CC(Br)=C1 CS12399 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=C1 CS15533 [0,1,0,0,0,0|3,0,0]=4 279 B11R1.74 CC1=CC(C(=O)O)=CC(Cl)=N1 CS14042 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.74 CC1=CC(C(=O)O)=CC(F)=C1 CS14703 [0,1,0,0,0,0|3,0,0]=4 281 B11R1.74 CC1=CC(C(=O)O)=CC(O)=C1 CS22319 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.74 CC1=CC(C(=O)O)=NC(C)=C1 MC111081 [0,1,0,0,0,0|2,0,0]=3 283 B11R1.74 CC1=CC(C(=O)O)=NC(Cl)=C1 CS10680 [0,1,0,0,0,0|3,0,0]=4 284 B11R1.74 CC1=CC(C)=CC(C(=O)Cl)=C1 MC20749 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 CS21904 [0,1,0,0,0,0|3,0,0]=4 286 B11R1.74 CC1=CC(C)=CC(C(=O)O)=C1 MC433670 [0,1,0,0,0,0|3,0,0]=4 287 B11R1.74 CC1=CC(Cl)=CC(C(=O)O)=N1 MC427308 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.74 CC1=CC(N)=CC(C(=O)O)=C1 MC20267 [0,1,0,0,0,0|3,0,0]=4 289 B11R1.74 CC1=CC([N+](=O)[O-])=CC(Br)=N1 MC106880 [0,1,0,0,0,0|3,0,0]=4 290 B11R1.74 CC1=CC([N+](=O)[O-])=CC(C)=N1 MC427388 [0,1,0,0,0,0|3,0,0]=4 291 B11R1.74 CC1=NC(C(C)C)=CC(N)=N1 MC425907 [0,1,0,0,0,0|1,0,1]=3 292 B11R1.74 CC1=NC(Cl)=CC(N(C)C)=N1 CS10693 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.74 CC1=NC(N)=CC(C(=O)O)=N1 MC432042 [0,1,0,0,0,0|1,0,0]=2 294 B11R1.74 NC(=O)C1=CC(Br)=NC(Cl)=C1 MC108011 [0,1,0,0,0,0|3,0,0]=4 295 B11R1.74 NC(=O)C1=CC(Cl)=NC(Cl)=C1 MC33473 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.74 NC(=O)C1=NC(Cl)=CC(Cl)=C1 MC106128 [0,1,0,0,0,0|3,0,0]=4 297 B11R1.74 NC(=O)C1=NC(Cl)=NC(N)=C1 MC425277 [0,1,0,0,0,0|2,0,0]=3 298 B11R1.74 NC1=CC(C(=O)O)=NC(Br)=C1 MC33509 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.74 NC1=CC(C(=O)O)=NC(Cl)=C1 MC33512 [0,1,0,0,0,0|3,0,0]=4 300 B11R1.74 O=C(Cl)C1=CC(Cl)=NC(Cl)=C1 MC33136 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.74 O=C(Cl)C1=NC(Cl)=CC(Cl)=C1 MC106018 [0,1,0,0,0,0|3,0,0]=4 302 B11R1.74 O=C(O)C1=CC(Br)=NC(Br)=C1 CS13909 [0,1,0,0,0,0|3,0,0]=4 303 B11R1.74 O=C(O)C1=CC(Br)=NC(Cl)=C1 MC431578 [0,1,0,0,0,0|3,0,0]=4 304 B11R1.74 O=C(O)C1=CC(Cl)=NC(Cl)=C1 CS18670 [0,1,0,0,0,0|3,0,0]=4 305 B11R1.74 O=C(O)C1=CC(F)=NC(F)=C1 MC430002 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.74 O=C(O)C1=NC(Br)=CC(Br)=C1 MC442155 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.74 O=C(O)C1=NC(Br)=CC(Cl)=C1 MC431198 [0,1,0,0,0,0|3,0,0]=4 308 B11R1.74 O=C(O)C1=NC(Cl)=CC(Br)=C1 CS17530 [0,1,0,0,0,0|3,0,0]=4 309 B11R1.74 O=C(O)C1=NC(Cl)=CC(Cl)=C1 CS22506 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.74 O=C(O)C1=NC(Cl)=CC(F)=C1 MC431621 [0,1,0,0,0,0|3,0,0]=4 311 B11R1.74 O=C(O)C1=NC(F)=CC(Br)=C1 MC431181 [0,1,0,0,0,0|3,0,0]=4 312 B11R1.74 O=C(O)c1cc(O)nc(O)c1 CS16429 [0,1,0,0,0,0|3,0,0]=4 313 B11R1.155 CS(=O)(=O)C1=CC=CC(Br)=N1 MC442239 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.155 CS(=O)(=O)C1=NC(Cl)=NC=C1 CS12705 [0,1,0,0,0,0|2,0,0]=3 315 B11R1.159 CC(=O)C1=C(C)C(C)=CC=C1 MC33077 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.159 CC(=O)C1=C(Cl)C(Cl)=CC=C1 CS21018 [0,1,0,0,0,0|3,0,0]=4 317 B11R1.159 CC(=O)C1=C(Cl)C(F)=CC=C1 MC41235 [0,1,0,0,0,0|3,0,0]=4 318 B11R1.159 CC(=O)C1=C(F)C(Br)=CC=C1 MC20204 [0,1,0,0,0,0|3,0,0]=4 319 B11R1.159 CC(=O)C1=C(F)C(F)=CC=C1 MC31073 [0,1,0,0,0,0|3,0,0]=4 320 B11R1.159 CC(=O)C1=C(F)C(O)=CC=C1 MC442382 [0,1,0,0,0,0|3,0,0]=4 321 B11R1.159 CC(=O)C1=C(N)C(F)=CC=C1 MC443630 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.159 CC(=O)C1=C(N)C(O)=CC=C1 CS20991 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.159 CC(=O)C1=C(O)C(Br)=CC=C1 CS20407 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.159 CC(=O)C1=C(O)C(C)=CC=C1 CS13325 [0,1,0,0,0,0|2,0,0]=3 325 B11R1.159 CC(=O)C1=C(O)C(Cl)=CC=C1 CS10781 [0,1,0,0,0,0|3,0,0]=4 326 B11R1.159 CC(=O)C1=C(O)C(N)=CC=C1 CS15701 [0,1,0,0,0,0|3,0,0]=4 327 B11R1.159 CC(=O)C1=C(O)C(O)=CC=C1 CS20939 [0,1,0,0,0,0|3,0,0]=4 328 B11R1.159 CC(=O)c1cccc(Br)c1N MC433201 [0,1,0,0,0,0|3,0,0]=4 329 B11R1.159 CC1=CC=CC(C(=O)Cl)=C1C MC433669 [0,1,0,0,0,0|3,0,0]=4 330 B11R1.159 CC1=CC=CC(C(=O)O)=C1Br CS10769 [0,1,0,0,0,0|3,0,0]=4 331 B11R1.159 CC1=CC=CC(C(=O)O)=C1C CS21070 [0,1,0,0,0,0|3,0,0]=4 332 B11R1.159 CC1=CC=CC(C(=O)O)=C1F CS21867 [0,1,0,0,0,0|3,0,0]=4 333 B11R1.159 CC1=CC=CC(C(=O)O)=C1I CS21611 [0,1,0,0,0,0|3,0,0]=4 334 B11R1.159 CC1=CC=CC(C(=O)O)=C1N CS21804 [0,1,0,0,0,0|3,0,0]=4 335 B11R1.159 CC1=CC=CC(C(=O)O)=C1O CS16085 [0,1,0,0,0,0|3,0,0]=4 336 B11R1.159 CC1=NC=CC([N+](=O)[O-])=C1C MC33506 [0,1,0,0,0,0|3,0,0]=4 337 B11R1.159 NC(=O)C1=C(Br)C(Cl)=NC=C1 MC108012 [0,1,0,0,0,0|3,0,0]=4 338 B11R1.159 NC(=O)C1=C(Cl)C(Br)=NC=C1 MC108006 [0,1,0,0,0,0|3,0,0]=4 339 B11R1.159 NC1=C(C(=O)O)C=CN=C1Cl CS15165 [0,1,0,0,0,0|3,0,0]=4 340 B11R1.159 NC1=NC=CC(C(=O)O)=C1F MC432389 [0,1,0,0,0,0|3,0,0]=4 341 B11R1.159 O=C(O)C1=C(Br)C(Cl)=NC=C1 MC432289 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.159 O=C(O)C1=C(Br)C(F)=NC=C1 MC432120 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.159 O=C(O)C1=C(Cl)C(Br)=NC=C1 MC432065 [0,1,0,0,0,0|3,0,0]=4 344 B11R1.159 O=C(O)C1=C(Cl)C(Cl)=NC=C1 CS21021 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.159 O=C(O)C1=C(F)C(Cl)=NC=C1 CS19220 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.159 O=C(O)c1ccnc(F)c1F CS12552 [0,1,0,0,0,0|3,0,0]=4 347 B11R1.167 CC(=O)C1=C(Br)C=CC(Cl)=C1 CS14948 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.167 CC(=O)C1=C(Br)C=CC(F)=C1 MC10476 [0,1,0,0,0,0|3,0,0]=4 349 B11R1.167 CC(=O)C1=C(C)C=CC(F)=C1 MC41256 [0,1,0,0,0,0|3,0,0]=4 350 B11R1.167 CC(=O)C1=C(Cl)C=CC(Br)=C1 MC33032 [0,1,0,0,0,0|3,0,0]=4 351 B11R1.167 CC(=O)C1=C(Cl)C=CC(Cl)=C1 CS21139 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.167 CC(=O)C1=C(Cl)C=CC(F)=C1 CS10721 [0,1,0,0,0,0|3,0,0]=4 353 B11R1.167 CC(=O)C1=C(F)C=CC(Br)=C1 CS12150 [0,1,0,0,0,0|3,0,0]=4 354 B11R1.167 CC(=O)C1=C(F)C=CC(C)=C1 MC41254 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.167 CC(=O)C1=C(F)C=CC(F)=C1 CS18839 [0,1,0,0,0,0|3,0,0]=4 356 B11R1.167 CC(=O)C1=C(F)C=CC(N)=C1 MC41223 [0,1,0,0,0,0|3,0,0]=4 357 B11R1.167 CC(=O)C1=C(F)C=CC(O)=C1 MC442384 [0,1,0,0,0,0|3,0,0]=4 358 B11R1.167 CC(=O)C1=C(I)C=CC(F)=C1 MC10366 [0,1,0,0,0,0|3,0,0]=4 359 B11R1.167 CC(=O)C1=C(N)C=CC(Br)=C1 CS12985 [0,1,0,0,0,0|3,0,0]=4 360 B11R1.167 CC(=O)C1=C(N)C=CC(Cl)=C1 CS12192 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.167 CC(=O)C1=C(N)C=CC(F)=C1 CS15935 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.167 CC(=O)C1=C(O)C=CC(Br)=C1 MC10135 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.167 CC(=O)C1=C(O)C=CC(Cl)=C1 CS13715 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.167 CC(=O)C1=C(O)C=CC(F)=C1 CS20840 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.167 CC(=O)C1=C(O)C=CC(N)=C1 MC33295 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.167 CC(=O)C1=C(O)C=CC(O)=C1 CS19932 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.167 CC(=O)C1=NC(C)=CC=C1C MC111076 [0,1,0,0,0,0|1,0,0]=2 368 B11R1.167 CC(=O)C1=NC(Cl)=CC=C1Cl MC106299 [0,1,0,0,0,0|2,0,0]=3 369 B11R1.167 CC(=O)C1=NC(Cl)=NC=C1C CS15957 [0,1,0,0,0,0|1,0,0]=2 370 B11R1.167 CC1=CC(C(=O)Cl)=C(F)C=C1 MC40479 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.167 CC1=CC(C(=O)O)=C(Br)C=C1 CS10772 [0,1,0,0,0,0|3,0,0]=4 372 B11R1.167 CC1=CC(C(=O)O)=C(C)C=C1 CS21075 [0,1,0,0,0,0|3,0,0]=4 373 B11R1.167 CC1=CC(C(=O)O)=C(Cl)C=C1 CS19779 [0,1,0,0,0,0|3,0,0]=4 374 B11R1.167 CC1=CC(C(=O)O)=C(F)C=C1 MC40284 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.167 CC1=CC(C(=O)O)=C(I)C=C1 CS21612 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.167 CC1=CC(C(=O)O)=C(N)C=C1 CS20992 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.167 CC1=CC(C(N)=O)=C(N)C=C1 CS14304 [0,1,0,0,0,0|3,0,0]=4 378 B11R1.167 CC1=CC=C(Br)C(C(=O)O)=N1 MC111079 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.167 CC1=CC=C(C)C(C(=O)O)=N1 MC111078 [0,1,0,0,0,0|2,0,0]=3 380 B11R1.167 CC1=CC=C(F)C(C(=O)O)=N1 MC431567 [0,1,0,0,0,0|2,0,0]=3 381 B11R1.167 CC1=CC=C(O)C(C(=O)O)=N1 MC443687 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.167 CC1=CC=C(O)C([N+](=O)[O-])=N1 MC33347 [0,1,0,0,0,0|3,0,0]=4 383 B11R1.167 CC1=CC=C(O)N=C1C(=O)O MC427108 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 MC105730 [0,1,0,0,0,0|3,0,0]=4 385 B11R1.167 CC1=CN=C(Cl)N=C1C(=O)O MC115904 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=C1 MC432147 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.167 CC1=NC=C(Br)C(C(=O)O)=N1 CS19714 [0,1,0,0,0,0|1,0,0]=2 388 B11R1.167 CC1=NC=C(Cl)C(C(=O)O)=N1 MC444393 [0,1,0,0,0,0|1,0,0]=2 389 B11R1.167 CN(C)C1=NC(Cl)=NC=C1F MC443254 [0,1,0,0,0,0|3,0,0]=4 390 B11R1.167 NC(=O)C1=CC(Br)=NC=C1Cl MC108009 [0,1,0,0,0,0|3,0,0]=4 391 B11R1.167 NC(=O)C1=NC(Br)=CC=C1F MC431838 [0,1,0,0,0,0|3,0,0]=4 392 B11R1.167 NC(=O)C1=NC(Cl)=CC=C1N MC10412 [0,1,0,0,0,0|3,0,0]=4 393 B11R1.167 NC1=CC=C(Br)N=C1C(=O)O MC427091 [0,1,0,0,0,0|3,0,0]=4 394 B11R1.167 NC1=CN=C(Br)C=C1C(=O)O CS14502 [0,1,0,0,0,0|3,0,0]=4 395 B11R1.167 NC1=CN=C(Cl)C=C1C(=O)O CS15108 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.167 NC1=CN=C(F)C=C1C(=O)O MC430040 [0,1,0,0,0,0|3,0,0]=4 397 B11R1.167 NC1=NC=C(Cl)C(C(=O)O)=N1 CS17503 [0,1,0,0,0,0|2,0,0]=3 398 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Br CS13289 [0,1,0,0,0,0|3,0,0]=4 399 B11R1.167 O=C(O)C1=CC(Br)=NC=C1Cl MC427412 [0,1,0,0,0,0|3,0,0]=4 400 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Br CS17555 [0,1,0,0,0,0|3,0,0]=4 401 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1Cl CS16218 [0,1,0,0,0,0|3,0,0]=4 402 B11R1.167 O=C(O)C1=CC(Cl)=NC=C1F CS19538 [0,1,0,0,0,0|3,0,0]=4 403 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Br MC442809 [0,1,0,0,0,0|3,0,0]=4 404 B11R1.167 O=C(O)C1=NC(Br)=CC=C1Cl MC33514 [0,1,0,0,0,0|3,0,0]=4 405 B11R1.167 O=C(O)C1=NC(Br)=CC=C1F MC429615 [0,1,0,0,0,0|3,0,0]=4 406 B11R1.167 O=C(O)C1=NC(Br)=CC=C1O CS12800 [0,1,0,0,0,0|3,0,0]=4 407 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Br CS13146 [0,1,0,0,0,0|3,0,0]=4 408 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1Cl CS18671 [0,1,0,0,0,0|3,0,0]=4 409 B11R1.167 O=C(O)C1=NC(Cl)=CC=C1F MC20813 [0,1,0,0,0,0|3,0,0]=4 410 B11R1.167 O=C(O)C1=NC(Cl)=NC=C1Cl MC430455 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.167 O=C(O)C1=NC(F)=NC=C1Cl MC430454 [0,1,0,0,0,0|2,0,0]=3 412 B11R1.167 O=C(O)C1=NC(O)=CC=C1Cl CS16420 [0,1,0,0,0,0|3,0,0]=4 413 B11R1.266 CC(=O)C1=CC=CC(C#N)=C1 MC33169 [0,1,0,0,0,0|2,0,1]=4 414 B11R1.266 CC(=O)c1cccc(CCl)c1 MC30280 [0,1,0,0,0,0|2,0,0]=3 415 B11R1.266 CCC1=CC=CC(C(=N)N)=N1 MC104284 [0,1,0,0,0,0|3,0,0]=4 416 B11R1.266 CCC1=CC=CC(C(=O)O)=N1 CS21756 [0,1,0,0,0,0|2,0,0]=3 417 B11R1.266 CN(C)C1=NC(CN)=NC=C1 MC111258 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.266 CNC1=CC=CC(C(=O)O)=N1 CS18139 [0,1,0,0,0,0|2,0,0]=3 419 B11R1.266 COC1=CC(C(=O)O)=CN=N1 CS17802 [0,1,0,0,0,0|3,0,0]=4 420 B11R1.266 COC1=CC(C(=O)O)=NC=N1 MC441129 [0,1,0,0,0,0|3,0,0]=4 421 B11R1.266 COC1=CC(C(C)=O)=NC=C1 MC442668 [0,1,0,0,0,0|3,0,0]=4 422 B11R1.266 COC1=CC=CC(C(=O)Cl)=C1 MC40493 [0,1,0,0,0,0|3,0,0]=4 423 B11R1.266 COC1=CC=CC(C(=O)O)=C1 MC40298 [0,1,0,0,0,0|3,0,0]=4 424 B11R1.266 COC1=CC=CC(C(=O)O)=N1 CS18200 [0,1,0,0,0,0|2,0,0]=3 425 B11R1.266 COC1=CN=CC(C(=O)O)=N1 CS14316 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.266 COC1=NC=CC(C(=O)O)=C1 CS10487 [0,1,0,0,0,0|2,0,0]=3 427 B11R1.266 COC1=NC=CC(C(=O)O)=N1 MC441255 [0,1,0,0,0,0|1,0,0]=2 428 B11R1.266 CSC1=NC=CC(C(=O)O)=N1 CS19819 [0,1,0,0,0,0|1,0,0]=2 429 B11R1.266 CSC1=NC=CC(C(C)=O)=N1 CS14547 [0,1,0,0,0,0|0,0,0]=1 430 B11R1.266 N#CC1=CC=CC(C(=O)O)=N1 CS14616 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.266 NC(=O)C1=CC(CBr)=CC=C1 CS16760 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.266 NC(=O)C1=NC(CO)=CC=C1 MC434007 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.266 NCC1=CC=CC(C(=O)O)=C1 CS21006 [0,1,0,0,0,0|3,0,0]=4 434 B11R1.266 NCc1cc(C(N)=O)ccn1 MC431293 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.266 O=C(Cl)C1=CC(CCl)=CC=C1 MC40457 [0,1,0,0,0,0|3,0,0]=4 436 B11R1.266 O=C(O)C1=CC(CBr)=CC=C1 MC30291 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.266 O=C(O)C1=CC(CCl)=CC=C1 CS18966 [0,1,0,0,0,0|3,0,0]=4 438 B11R1.266 O=C(O)C1=NC(CBr)=CC=C1 MC431950 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.266 O=CC1=NC=CC(C(=O)O)=C1 CS15759 [0,1,0,0,0,0|2,0,1]=4 440 B9R1.35 CC(=O)C1=CC(Br)=CS1 CS20414 [0,0,0,0,1,0|3,0,0]=4 441 B9R1.35 CC(=O)C1=CC(Br)=NO1 MC431138 [0,0,0,0,1,0|3,0,0]=4 442 B9R1.35 CC(=O)C1=CC(C)=NO1 MC427423 [0,0,0,0,1,0|2,0,0]=3 443 B9R1.35 CC(=O)C1=CC(C)=NS1 MC106270 [0,0,0,0,1,0|2,0,0]=3 444 B9R1.35 CC(=O)C1=CC(Cl)=CS1 CS21207 [0,0,0,0,1,0|3,0,0]=4 445 B9R1.35 CC(=O)C1=CC(N)=NN1 MC103419 [0,0,0,0,1,0|3,0,0]=4 446 B9R1.35 CC(=O)C1=CC=C(Br)O1 CS20429 [0,0,0,0,1,0|2,0,0]=3 447 B9R1.35 CC(=O)C1=CC=C(C)S1 CS20396 [0,0,0,0,1,0|1,0,0]=2 448 B9R1.35 CC(=O)C1=CC=C(Cl)S1 CS21209 [0,0,0,0,1,0|2,0,0]=3 449 B9R1.35 CC(=O)C1=CN=C(Br)S1 CS17877 [0,0,0,0,1,0|2,0,0]=3 450 B9R1.35 CC(=O)C1=CSC(Br)=C1 CS12338 [0,0,0,0,1,0|3,0,0]=4 451 B9R1.35 CC(=O)C1=CSC(N)=N1 CS20386 [0,0,0,0,1,0|2,0,0]=3 452 B9R1.35 CC(=O)C1=NC(C)=CO1 CS16603 [0,0,0,0,1,0|1,0,0]=2 453 B9R1.35 CC(=O)C1=NN(C)C=C1 MC104385 [0,0,0,0,1,0|1,0,0]=2 454 B9R1.35 CC(=O)C1=NOC(C)=C1 CS20434 [0,0,0,0,1,0|3,0,0]=4 455 B9R1.35 CC1=CC(C(=O)O)=CN1 CS15830 [0,0,0,0,1,0|2,0,1]=4 456 B9R1.35 CC1=CC=C(C(=O)O)O1 CS19440 [0,0,0,0,1,0|2,0,0]=3 457 B9R1.35 CC1=CC=C(C(=O)O)S1 CS23027 [0,0,0,0,1,0|2,0,0]=3 458 B9R1.35 CC1=CN=C(C(=O)O)O1 MC429957 [0,0,0,0,1,0|3,0,0]=4 459 B9R1.35 CC1=COC(C(=O)O)=C1 MC104342 [0,0,0,0,1,0|3,0,0]=4 460 B9R1.35 CC1=COC(C(=O)O)=N1 MC104071 [0,0,0,0,1,0|2,0,0]=3 461 B9R1.35 CC1=NC(C(=O)[O-])=NO1 MC114548 [0,0,0,0,1,0|3,0,0]=4 462 B9R1.35 CC1=NC=C(C(=O)O)O1 MC102213 [0,0,0,0,1,0|2,0,0]=3 463 B9R1.35 CC1=NC=C(C(=O)O)S1 CS21657 [0,0,0,0,1,0|2,0,0]=3 464 B9R1.35 CC1=NN=C(C(=O)[O-])O1 CS10429 [0,0,0,0,1,0|3,0,0]=4 465 B9R1.35 CC1=NN=C(C(=O)[O-])S1 CS18089 [0,0,0,0,1,0|3,0,0]=4 466 B9R1.35 CC1=NNC(C(=O)O)=N1 MC431349 [0,0,0,0,1,0|2,0,0]=3 467 B9R1.35 CC1=NOC(C(=O)O)=C1 CS22370 [0,0,0,0,1,0|3,0,0]=4 468 B9R1.35 CC1=NOC(C(=O)[O-])=N1 MC114547 [0,0,0,0,1,0|2,0,0]=3 469 B9R1.35 CC1=NSC(C(=O)O)=C1 MC112963 [0,0,0,0,1,0|3,0,0]=4 470 B9R1.35 CN1C=C(C(=O)O)C=N1 CS19177 [0,0,0,0,1,0|3,0,0]=4 471 B9R1.35 CN1C=CC(C(=O)O)=C1 MC441014 [0,0,0,0,1,0|3,0,0]=4 472 B9R1.35 CN1C=CC(C(=O)O)=N1 CS18190 [0,0,0,0,1,0|2,0,0]=3 473 B9R1.35 Cc1coc(C(=O)O)c1 MC104343 [0,0,0,0,1,0|3,0,0]=4 474 B9R1.35 NC(=O)C1=CC=C(Br)N1 MC102124 [0,0,0,0,1,0|2,0,1]=4 475 B9R1.35 NC(=O)C1=CC=C(Br)O1 MC432199 [0,0,0,0,1,0|3,0,0]=4 476 B9R1.35 NC(=O)C1=CN=C(Br)S1 MC443285 [0,0,0,0,1,0|3,0,0]=4 477 B9R1.35 NC(=O)C1=CSC(N)=N1 CS19529 [0,0,0,0,1,0|3,0,0]=4 478 B9R1.35 NC1=NC(C(=O)O)=CN1 CS12779 [0,0,0,0,1,0|2,0,1]=4 479 B9R1.35 NC1=NC(C(=O)O)=CS1 CS22582 [0,0,0,0,1,0|3,0,0]=4 480 B9R1.35 NC1=NC=C(C(=O)O)S1 CS18292 [0,0,0,0,1,0|3,0,0]=4 481 B9R1.35 O=C(Cl)C1=CC=C(Br)O1 MC21110 [0,0,0,0,1,0|3,0,0]=4 482 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 MC443881 [0,0,0,0,1,0|3,0,0]=4 483 B9R1.35 O=C(O)C1=CC=C(Br)N1 CS16375 [0,0,0,0,1,0|2,0,1]=4 484 B9R1.35 O=C(O)C1=CC=C(Br)O1 CS22685 [0,0,0,0,1,0|3,0,0]=4 485 B9R1.35 O=C(O)C1=CC=C(Br)S1 CS17287 [0,0,0,0,1,0|3,0,0]=4 486 B9R1.35 O=C(O)C1=CC=C(Cl)O1 CS10327 [0,0,0,0,1,0|3,0,0]=4 487 B9R1.35 O=C(O)C1=CC=C(Cl)S1 CS17350 [0,0,0,0,1,0|3,0,0]=4 488 B9R1.35 O=C(O)C1=CN=C(Br)O1 CS17421 [0,0,0,0,1,0|3,0,0]=4 489 B9R1.35 O=C(O)C1=COC(Br)=N1 CS15537 [0,0,0,0,1,0|3,0,0]=4 490 B9R1.35 O=C(O)C1=CSC(Br)=N1 CS15291 [0,0,0,0,1,0|3,0,0]=4 491 B9R1.35 O=C(O)C1=CSC(Cl)=N1 CS21424 [0,0,0,0,1,0|3,0,0]=4 492 B9R1.35 O=C(O)C1=NC(Br)=CS1 MC431678 [0,0,0,0,1,0|3,0,0]=4 493 B9R1.41 CC(=O)C1=C(C)N=CS1 MC442175 [0,0,0,0,1,0|1,0,0]=2 494 B9R1.41 CC(=O)C1=C(C)ON=C1 MC430702 [0,0,0,0,1,0|2,0,0]=3 495 B9R1.41 CC(=O)C1=C(I)C=CS1 MC443438 [0,0,0,0,1,0|3,0,0]=4 496 B9R1.41 CC(=O)C1=CNC=C1C MC442581 [0,0,0,0,1,0|2,0,0]=3 497 B9R1.41 CC1=C(C(=O)O)C=CO1 CS21668 [0,0,0,0,1,0|2,0,0]=3 498 B9R1.41 CC1=C(C(=O)O)C=CS1 CS21702 [0,0,0,0,1,0|2,0,0]=3 499 B9R1.41 CC1=C(C(=O)O)C=NO1 CS17770 [0,0,0,0,1,0|3,0,0]=4 500 B9R1.41 CC1=C(C(=O)O)N=CO1 CS10431 [0,0,0,0,1,0|3,0,0]=4 501 B9R1.41 CC1=C(C(=O)O)N=CS1 CS17596 [0,0,0,0,1,0|3,0,0]=4 502 B9R1.41 CC1=C(C(=O)O)NC=C1 MC106666 [0,0,0,0,1,0|3,0,0]=4 503 B9R1.41 CC1=C(C(=O)O)OC=N1 CS18905 [0,0,0,0,1,0|2,0,0]=3 504 B9R1.41 CC1=C(C(=O)O)SC=C1 CS23026 [0,0,0,0,1,0|3,0,0]=4 505 B9R1.41 CC1=C(C(=O)O)SC=N1 CS22753 [0,0,0,0,1,0|2,0,0]=3 506 B9R1.41 CC1=CSC=C1C(=O)O CS14827 [0,0,0,0,1,0|3,0,0]=4 507 B9R1.41 CC1=NNC=C1C(=O)O CS18295 [0,0,0,0,1,0|2,0,0]=3 508 B9R1.41 CC1=NNC=C1[N+](=O)[O-] CS22359 [0,0,0,0,1,0|3,0,0]=4 509 B9R1.41 CC1=NOC=C1C(=O)O CS18046 [0,0,0,0,1,0|2,0,0]=3 510 B9R1.41 CN1N=CC=C1C(=O)O CS17278 [0,0,0,0,1,0|2,0,0]=3 511 B9R1.41 CN1N=NC=C1C(=O)O MC115903 [0,0,0,0,1,0|3,0,0]=4 512 B9R1.41 NC(=O)C1=C(N)SC=C1 CS21314 [0,0,0,0,1,0|3,0,0]=4 513 B9R1.41 NC(=O)C1=CNN=C1N CS11046 [0,0,0,0,1,0|3,0,0]=4 514 B9R1.41 NC(=O)C1=CNN=C1N CS22109 [0,0,0,0,1,0|3,0,0]=4 515 B9R1.41 O=C(O)C1=C(Br)SC=C1 CS21343 [0,0,0,0,1,0|3,0,0]=4 516 B9R1.41 O=C(O)C1=C(Cl)SC=C1 CS12218 [0,0,0,0,1,0|3,0,0]=4 517 B9R1.41 O=C(O)c1ccsc1F MC430854 [0,0,0,0,1,0|3,0,0]=4 518 B11R1.157 CC(=O)CC1=CC(Br)=CC=C1 CS22187 [0,0,0,0,0,1|3,0,0]=4 519 B11R1.157 CC(=O)NC1=CC(Cl)=NC=C1 CS11707 [0,0,0,0,0,1|2,0,0]=3 520 B11R1.157 CC(=O)NC1=CC(F)=CC=C1 MC33114 [0,0,0,0,0,1|3,0,0]=4 521 B11R1.157 CC(=O)NC1=CC(N)=CC=C1 CS22093 [0,0,0,0,0,1|3,0,0]=4 522 B11R1.157 CC(=O)NC1=NC(=O)NC=C1 MC20703 [0,0,0,0,0,1|1,0,1]=3 523 B11R1.157 CC(=O)NC1=NC=NC(N)=C1 MC115540 [0,0,0,0,0,1|3,0,0]=4 524 B11R1.157 CC(=O)OC1=CC(Br)=CC=C1 MC40001 [0,0,0,0,0,1|3,0,0]=4 525 B11R1.157 CC(=O)OC1=CC(C)=CC=C1 MC40008 [0,0,0,0,0,1|2,0,0]=3 526 B11R1.157 CC(=O)OC1=CC(F)=CC=C1 MC40004 [0,0,0,0,0,1|3,0,0]=4 527 B11R1.157 CC1=CC=CC(CC(=O)[O-])=N1 MC113627 [0,0,0,0,0,1|2,0,0]=3 528 B11R1.157 Cc1cccc(CC(=O)O)c1 MC433961 [0,0,0,0,0,1|3,0,0]=4 529 B11R1.157 O=C(O)CC1=CC(F)=NC=C1 MC430121 [0,0,0,0,0,1|3,0,0]=4 530 B11R1.157 O=C(O)CC1=NC(Cl)=CC=C1 CS12801 [0,0,0,0,0,1|3,0,0]=4 531 B8R1.2 CNC1=CC=NC=C1 MC41620 [2,0,0,0,0,0|2,0,0]=4 532 B8R1.2 COC1=CC=NC=C1 CS19206 [2,0,0,0,0,0|2,0,0]=4 533 B8R1.2 COC1=NC=CC=C1 CS18780 [2,0,0,0,0,0|2,0,0]=4 534 B8R1.2 CSC1=NC=CC=C1 MC41628 [2,0,0,0,0,0|2,0,0]=4 535 B8R1.2 N#CC1=NC=NC=C1 CS12430 [2,0,0,0,0,0|1,0,1]=4 536 B8R1.2 NCC1=NC=NC=C1 MC444325 [2,0,0,0,0,0|1,0,1]=4 537 B8R1.2 O=CC1=CC=CN=N1 MC121079 [2,0,0,0,0,0|2,0,0]=4 538 B8R1.2 O=CC1=CN=NC=C1 MC444362 [2,0,0,0,0,0|2,0,0]=4 539 B8R1.2 O=CC1=NC=CC=C1 CS18610 [2,0,0,0,0,0|1,0,0]=3 540 B8R1.2 O=CC1=NC=CC=N1 MC444571 [2,0,0,0,0,0|2,0,0]=4 541 B8R1.2 O=CC1=NC=CN=C1 CS18375 [2,0,0,0,0,0|2,0,0]=4 542 B8R1.2 OCC1=NC=NC=C1 CS11915 [2,0,0,0,0,0|0,0,2]=4 543 B8R1.4 BrC1=NC(Br)=NC=C1 CS10554 [2,0,0,0,0,0|2,0,0]=4 544 B8R1.4 CC1=CC(Br)=NC=C1 CS19246 [2,0,0,0,0,0|2,0,0]=4 545 B8R1.4 CC1=CC(C)=NC=N1 CS19849 [2,0,0,0,0,0|2,0,0]=4 546 B8R1.4 CC1=CC(Cl)=NC=C1 CS23009 [2,0,0,0,0,0|2,0,0]=4 547 B8R1.4 CC1=CC(F)=NC=C1 CS21868 [2,0,0,0,0,0|2,0,0]=4 548 B8R1.4 CC1=CC(N)=NC=C1 CS15630 [2,0,0,0,0,0|2,0,0]=4 549 B8R1.4 CC1=CC(O)=NC=C1 CS23034 [2,0,0,0,0,0|2,0,0]=4 550 B8R1.4 CC1=CC=CC(=O)N1 CS19499 [2,0,0,0,0,0|1,0,1]=4 551 B8R1.4 CC1=CC=CC(Br)=N1 CS21841 [2,0,0,0,0,0|2,0,0]=4 552 B8R1.4 CC1=CC=CC(C)=C1 MC41550 [2,0,0,0,0,0|2,0,0]=4 553 B8R1.4 CC1=CC=CC(C)=N1 CS18597 [2,0,0,0,0,0|1,0,0]=3 554 B8R1.4 CC1=CC=CC(Cl)=N1 CS23010 [2,0,0,0,0,0|2,0,0]=4 555 B8R1.4 CC1=CC=CC(F)=N1 CS19330 [2,0,0,0,0,0|2,0,0]=4 556 B8R1.4 CC1=CC=CC(I)=N1 MC443163 [2,0,0,0,0,0|2,0,0]=4 557 B8R1.4 CC1=CC=CC(N)=N1 CS18078 [2,0,0,0,0,0|2,0,0]=4 558 B8R1.4 CC1=CN=NC(C)=C1 MC41672 [2,0,0,0,0,0|2,0,0]=4 559 B8R1.4 CC1=NC(Br)=NC=C1 CS17649 [2,0,0,0,0,0|1,0,0]=3 560 B8R1.4 CC1=NC(Cl)=NC=C1 CS13591 [2,0,0,0,0,0|1,0,0]=3 561 B8R1.4 CC1=NC(O)=NC=C1 CS21586 [2,0,0,0,0,0|1,0,0]=3 562 B8R1.4 CC1=NC=CC(=O)N1 CS22425 [2,0,0,0,0,0|0,0,1]=3 563 B8R1.4 CC1=NC=CC(Br)=C1 CS13967 [2,0,0,0,0,0|2,0,0]=4 564 B8R1.4 CC1=NC=CC(Cl)=C1 CS14214 [2,0,0,0,0,0|2,0,0]=4 565 B8R1.4 CC1=NC=CC(Cl)=N1 CS22751 [2,0,0,0,0,0|1,0,0]=3 566 B8R1.4 CC1=NC=CC(F)=C1 CS15882 [2,0,0,0,0,0|2,0,0]=4 567 B8R1.4 CC1=NC=CC(I)=C1 CS22899 [2,0,0,0,0,0|2,0,0]=4 568 B8R1.4 CC1=NC=CC(N)=C1 CS19520 [2,0,0,0,0,0|2,0,0]=4 569 B8R1.4 CC1=NC=CC(N)=N1 CS13322 [2,0,0,0,0,0|1,0,0]=3 570 B8R1.4 CC1=NC=CC(O)=C1 CS22867 [2,0,0,0,0,0|1,0,1]=4 571 B8R1.4 CC1=NC=CC(O)=N1 CS15583 [2,0,0,0,0,0|0,0,1]=3 572 B8R1.4 ClC1=NC(Cl)=NC=C1 CS22557 [2,0,0,0,0,0|2,0,0]=4 573 B8R1.4 ClC1=NC=CC(Br)=N1 MC21047 [2,0,0,0,0,0|2,0,0]=4 574 B8R1.4 FC1=NC(Cl)=NC=C1 MC429933 [2,0,0,0,0,0|2,0,0]=4 575 B8R1.4 FC1=NC(F)=NC=C1 MC429251 [2,0,0,0,0,0|2,0,0]=4 576 B8R1.4 NC1=NC(=O)NC=N1 CS22023 [2,0,0,0,0,0|2,0,0]=4 577 B8R1.4 NC1=NC(Br)=NC=C1 MC442843 [2,0,0,0,0,0|2,0,0]=4 578 B8R1.4 NC1=NC(Cl)=NC=C1 CS22581 [2,0,0,0,0,0|2,0,0]=4 579 B8R1.4 NC1=NC(N)=NC=C1 CS22603 [2,0,0,0,0,0|2,0,0]=4 580 B8R1.4 NC1=NC=CC(=O)N1 MC426017 [2,0,0,0,0,0|1,0,1]=4 581 B8R1.4 NC1=NC=CC(Br)=N1 MC442842 [2,0,0,0,0,0|2,0,0]=4 582 B8R1.4 NC1=NC=CC(Cl)=N1 CS15619 [2,0,0,0,0,0|2,0,0]=4 583 B8R1.4 NC1=NC=CC(F)=N1 MC104377 [2,0,0,0,0,0|2,0,0]=4 584 B8R1.4 NC1=NC=CC(I)=N1 CS12109 [2,0,0,0,0,0|2,0,0]=4 585 B8R1.4 OC1=NC(Cl)=NC=C1 MC442755 [2,0,0,0,0,0|1,0,1]=4 586 B10R1.2 CC1=C(C=O)C=CN=C1Cl MC430495 [1,1,0,0,0,0|2,0,0]=4 587 B10R1.2 CC1=CC=CC(C=O)=C1C CS10889 [1,1,0,0,0,0|2,0,0]=4 588 B10R1.2 CC1=CC=CC(C=O)=C1Cl MC33173 [1,1,0,0,0,0|2,0,0]=4 589 B10R1.2 CC1=CC=CC(C=O)=C1F MC20031 [1,1,0,0,0,0|2,0,0]=4 590 B10R1.2 CC1=CC=CC(C=O)=C1O CS20930 [1,1,0,0,0,0|2,0,0]=4 591 B10R1.2 NC1=C(C=O)C=CN=C1Cl MC431952 [1,1,0,0,0,0|2,0,0]=4 592 B10R1.2 O=CC1=C(F)C(Br)=NC=C1 MC429376 [1,1,0,0,0,0|2,0,0]=4 593 B10R1.2 O=CC1=C(F)C(Cl)=NC=C1 CS14152 [1,1,0,0,0,0|2,0,0]=4 594 B10R1.2 O=CC1=C(O)C(Cl)=NC=C1 MC442720 [1,1,0,0,0,0|2,0,0]=4 595 B10R1.8 CC1=CC(Br)=CC(C=O)=N1 MC442797 [1,1,0,0,0,0|1,0,0]=3 596 B10R1.8 CC1=CC(C)=CC(C=O)=C1 CS21068 [1,1,0,0,0,0|2,0,0]=4 597 B10R1.8 CC1=CC(C=O)=CC(Br)=C1 CS12662 [1,1,0,0,0,0|2,0,0]=4 598 B10R1.8 CC1=CC(C=O)=CC(C)=N1 MC443203 [1,1,0,0,0,0|1,0,0]=3 599 B10R1.8 CC1=CC(C=O)=CC(Cl)=C1 MC20818 [1,1,0,0,0,0|2,0,0]=4 600 B10R1.8 CC1=CC(C=O)=CC(F)=C1 CS10961 [1,1,0,0,0,0|2,0,0]=4 601 B10R1.8 CC1=CC(C=O)=CC(O)=C1 CS15684 [1,1,0,0,0,0|2,0,0]=4 602 B10R1.8 CC1=CC(Cl)=CC(C=O)=N1 MC110839 [1,1,0,0,0,0|1,0,0]=3 603 B10R1.8 CC1=NC(Cl)=CC(C#N)=N1 MC444423 [1,1,0,0,0,0|1,0,1]=4 604 B10R1.8 CC1=NC(Cl)=CC(C=O)=N1 MC33388 [1,1,0,0,0,0|0,0,0]=2 605 B10R1.8 CC1=NC(N)=CC(CO)=N1 MC121184 [1,1,0,0,0,0|0,0,2]=4 606 B10R1.8 CCC1=CC(Cl)=NC(N)=N1 CS22775 [1,1,0,0,0,0|1,0,1]=4 607 B10R1.8 CCC1=CC(N)=NC(C)=N1 MC425886 [1,1,0,0,0,0|0,0,1]=3 608 B10R1.8 COC1=CC(Cl)=NC(C)=N1 CS12795 [1,1,0,0,0,0|1,0,0]=3 609 B10R1.8 COC1=CC(Cl)=NC(Cl)=N1 CS13308 [1,1,0,0,0,0|2,0,0]=4 610 B10R1.8 COC1=CC(Cl)=NC(N)=N1 CS21807 [1,1,0,0,0,0|2,0,0]=4 611 B10R1.8 COC1=NC(Br)=NC(C)=C1 CS18105 [1,1,0,0,0,0|2,0,0]=4 612 B10R1.8 COC1=NC(Cl)=NC(C)=C1 MC442783 [1,1,0,0,0,0|2,0,0]=4 613 B10R1.8 COC1=NC(N)=NC(C)=C1 CS19550 [1,1,0,0,0,0|2,0,0]=4 614 B10R1.8 COC1=NC(N)=NC(C)=N1 CS21810 [1,1,0,0,0,0|2,0,0]=4 615 B10R1.8 CSC1=CC(C)=NC(Cl)=N1 MC20936 [1,1,0,0,0,0|2,0,0]=4 616 B10R1.8 CSC1=CC(Cl)=NC(C)=N1 MC444335 [1,1,0,0,0,0|1,0,0]=3 617 B10R1.8 NC1=CC(C=O)=NC(Br)=C1 MC33508 [1,1,0,0,0,0|2,0,0]=4 618 B10R1.8 NC1=CC(C=O)=NC(Cl)=C1 MC33507 [1,1,0,0,0,0|2,0,0]=4 619 B10R1.8 O=CC1=CC(Br)=NC(F)=C1 MC431512 [1,1,0,0,0,0|2,0,0]=4 620 B10R1.8 O=CC1=CC(F)=NC(F)=C1 MC430170 [1,1,0,0,0,0|2,0,0]=4 621 B10R1.8 O=CC1=NC(Cl)=CC(Br)=C1 MC33510 [1,1,0,0,0,0|2,0,0]=4 622 B10R1.8 O=CC1=NC(Cl)=CC(Cl)=C1 MC431525 [1,1,0,0,0,0|2,0,0]=4 623 B10R1.30 CC1=CC(C=O)=C(Br)C=C1 CS13222 [1,1,0,0,0,0|2,0,0]=4 624 B10R1.30 CC1=CC(C=O)=C(F)C=C1 CS10804 [1,1,0,0,0,0|2,0,0]=4 625 B10R1.30 CC1=CC(C=O)=C(O)C=C1 MC33170 [1,1,0,0,0,0|2,0,0]=4 626 B10R1.30 CC1=CC=C(F)N=C1C=O MC431964 [1,1,0,0,0,0|2,0,0]=4 627 B10R1.30 CC1=CC=C(O)C(C=O)=N1 MC442566 [1,1,0,0,0,0|1,0,0]=3 628 B10R1.30 CCC1=NC(C)=CC=C1O CS13984 [1,1,0,0,0,0|1,0,1]=4 629 B10R1.30 CCC1=NC(C)=CC=C1O MC41617 [1,1,0,0,0,0|1,0,1]=4 630 B10R1.30 CNC1=NC(Cl)=NC=C1N MC425408 [1,1,0,0,0,0|2,0,0]=4 631 B10R1.30 COC1=NC(C)=CC=C1Br CS19284 [1,1,0,0,0,0|2,0,0]=4 632 B10R1.30 COC1=NC(C)=CC=C1F MC103284 [1,1,0,0,0,0|2,0,0]=4 633 B10R1.30 COC1=NC(C)=CC=C1N CS13867 [1,1,0,0,0,0|2,0,0]=4 634 B10R1.30 COC1=NC(Cl)=NC=C1Br CS10257 [1,1,0,0,0,0|2,0,0]=4 635 B10R1.30 COC1=NC(Cl)=NC=C1C MC107229 [1,1,0,0,0,0|2,0,0]=4 636 B10R1.30 COC1=NC(N)=NC=C1Br CS13148 [1,1,0,0,0,0|2,0,0]=4 637 B10R1.30 COC1=NC(N)=NC=C1I CS13040 [1,1,0,0,0,0|2,0,0]=4 638 B10R1.30 CSC1=NC(Cl)=NC=C1Br MC442839 [1,1,0,0,0,0|2,0,0]=4 639 B10R1.30 CSC1=NC(Cl)=NC=C1F MC430450 [1,1,0,0,0,0|2,0,0]=4 640 B10R1.30 NC1=CC=C(Cl)N=C1C=O CS14629 [1,1,0,0,0,0|2,0,0]=4 641 B10R1.30 O=CC1=CC(Br)=NC=C1Br MC443532 [1,1,0,0,0,0|2,0,0]=4 642 B10R1.30 O=CC1=CC(Br)=NC=C1Cl MC430606 [1,1,0,0,0,0|2,0,0]=4 643 B10R1.30 O=CC1=CC(Br)=NC=C1F MC430124 [1,1,0,0,0,0|2,0,0]=4 644 B10R1.30 O=CC1=CC(Cl)=NC=C1Br MC430304 [1,1,0,0,0,0|2,0,0]=4 645 B10R1.30 O=CC1=CC(Cl)=NC=C1O MC441109 [1,1,0,0,0,0|2,0,0]=4 646 B10R1.30 O=CC1=CC(F)=NC=C1Br MC432144 [1,1,0,0,0,0|2,0,0]=4 647 B10R1.30 O=CC1=NC(Br)=CC=C1F CS22295 [1,1,0,0,0,0|2,0,0]=4 648 B10R1.30 O=CC1=NC(Cl)=CC=C1Br MC442700 [1,1,0,0,0,0|2,0,0]=4 649 B10R1.30 O=CC1=NC(Cl)=CC=C1Cl CS12664 [1,1,0,0,0,0|2,0,0]=4 650 B10R1.172 C#CC1=NC=CC(OC)=N1 MC107225 [1,1,0,0,0,0|1,0,1]=4 651 B10R1.172 CCC1=CC=CC(C=O)=C1 CS11688 [1,1,0,0,0,0|2,0,0]=4 652 B10R1.172 COC1=CC(CN)=NC=C1 CS12102 [1,1,0,0,0,0|2,0,0]=4 653 B10R1.172 COC1=CC(CN)=NC=C1 MC443540 [1,1,0,0,0,0|2,0,0]=4 654 B10R1.172 COC1=CC(CO)=NC=C1 MC31070 [1,1,0,0,0,0|2,0,0]=4 655 B10R1.172 COC1=CC(OC)=NC=C1 CS18092 [1,1,0,0,0,0|2,0,0]=4 656 B10R1.172 COC1=CC=CC(C=O)=C1 CS19170 [1,1,0,0,0,0|2,0,0]=4 657 B10R1.172 COC1=CC=CC(C=O)=N1 CS20321 [1,1,0,0,0,0|1,0,0]=3 658 B10R1.172 COC1=CC=CC(CCl)=N1 CS16831 [1,1,0,0,0,0|2,0,0]=4 659 B10R1.172 COC1=CC=CC(OC)=N1 MC433065 [1,1,0,0,0,0|2,0,0]=4 660 B10R1.172 COC1=NC(OC)=NC=C1 CS19530 [1,1,0,0,0,0|1,0,0]=3 661 B10R1.172 COC1=NC=CC(C=O)=C1 CS15775 [1,1,0,0,0,0|1,0,0]=3 662 B10R1.172 COC1=NC=CC(C=O)=N1 CS12643 [1,1,0,0,0,0|0,0,0]=2 663 B10R1.172 COC1=NC=CC(CO)=N1 MC103739 [1,1,0,0,0,0|0,0,2]=4 664 B10R1.172 CSC1=NC=CC(C#N)=N1 MC113286 [1,1,0,0,0,0|1,0,1]=4 665 B10R1.172 CSC1=NC=CC(C=O)=N1 CS19811 [1,1,0,0,0,0|0,0,0]=2 666 B10R1.172 CSC1=NC=CC(CO)=N1 MC432112 [1,1,0,0,0,0|0,0,2]=4 667 B10R1.172 N#CC1=NC(C=O)=CC=C1 CS16109 [1,1,0,0,0,0|1,0,1]=4 668 B10R1.172 NCC1=NC=CC(C=O)=C1 MC33470 [1,1,0,0,0,0|1,0,0]=3 669 B10R1.172 O=CC1=CC(CBr)=CC=C1 MC430420 [1,1,0,0,0,0|2,0,0]=4 670 B10R1.172 O=CC1=CC=CC(C=O)=N1 MC10353 [1,1,0,0,0,0|1,0,1]=4 671 B10R1.176 CC1=C(Br)C=CC(C=O)=C1 CS22664 [1,1,0,0,0,0|2,0,0]=4 672 B10R1.176 CC1=C(C)C=C(C=O)C=C1 MC33166 [1,1,0,0,0,0|2,0,0]=4 673 B10R1.176 CC1=C(Cl)C=CC(C=O)=C1 MC433419 [1,1,0,0,0,0|2,0,0]=4 674 B10R1.176 CC1=C(F)C=CC(C=O)=C1 MC41117 [1,1,0,0,0,0|2,0,0]=4 675 B10R1.176 CC1=C(F)C=CC(C=O)=N1 CS12797 [1,1,0,0,0,0|1,0,0]=3 676 B10R1.176 CC1=C(O)C=CC(C=O)=C1 CS20934 [1,1,0,0,0,0|2,0,0]=4 677 B10R1.176 COC1=CC=C(Br)C(C)=N1 CS13578 [1,1,0,0,0,0|2,0,0]=4 678 B10R1.176 COC1=CC=C(Cl)C(C)=N1 MC33479 [1,1,0,0,0,0|2,0,0]=4 679 B10R1.176 COC1=CC=C(N)C(C)=N1 CS19107 [1,1,0,0,0,0|2,0,0]=4 680 B10R1.176 COC1=CC=C(N)C(C)=N1 MC20014 [1,1,0,0,0,0|2,0,0]=4 681 B10R1.176 COC1=NC(C)=C(F)C=C1 MC20372 [1,1,0,0,0,0|2,0,0]=4 682 B10R1.13 CC(=O)C1=CC=C(Br)C=C1 CS19447 [1,1,0,0,0,0|2,0,0]=4 683 B10R1.13 CC(=O)C1=CC=C(C)C=C1 CS13558 [1,1,0,0,0,0|2,0,0]=4 684 B10R1.13 CC(=O)C1=CC=C(C)N=N1 MC112296 [1,1,0,0,0,0|2,0,0]=4 685 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 CS20014 [1,1,0,0,0,0|2,0,0]=4 686 B10R1.13 CC(=O)C1=CC=C(Cl)N=N1 MC104987 [1,1,0,0,0,0|2,0,0]=4 687 B10R1.13 CC(=O)C1=CC=C(F)C=C1 CS14299 [1,1,0,0,0,0|2,0,0]=4 688 B10R1.13 CC(=O)C1=CC=C(N)C=C1 MC20162 [1,1,0,0,0,0|2,0,0]=4 689 B10R1.13 CC(=O)C1=CC=C(O)C=C1 CS22884 [1,1,0,0,0,0|2,0,0]=4 690 B10R1.13 CC(=O)C1=NC=C(Br)C=C1 CS16977 [1,1,0,0,0,0|1,0,0]=3 691 B10R1.13 CC(=O)C1=NC=C(Br)C=N1 CS17050 [1,1,0,0,0,0|2,0,0]=4 692 B10R1.13 CC(=O)C1=NC=C(C)C=C1 MC443649 [1,1,0,0,0,0|1,0,0]=3 693 B10R1.13 CC(=O)C1=NC=C(C)N=C1 MC444078 [1,1,0,0,0,0|2,0,0]=4 694 B10R1.13 CC(=O)C1=NC=C(Cl)C=C1 CS16979 [1,1,0,0,0,0|1,0,0]=3 695 B10R1.13 CC(=O)C1=NC=C(Cl)N=C1 CS14519 [1,1,0,0,0,0|2,0,0]=4 696 B10R1.13 CC(=O)C1=NC=C(F)C=C1 MC106404 [1,1,0,0,0,0|1,0,0]=3 697 B10R1.13 CC(=O)C1=NC=C(N)C=C1 MC442802 [1,1,0,0,0,0|1,0,0]=3 698 B10R1.13 CC(=O)c1ccc(I)cc1 MC433245 [1,1,0,0,0,0|2,0,0]=4 699 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS10458 [1,1,0,0,0,0|2,0,0]=4 700 B10R1.13 CC1=CN=C(C(=O)O)C=C1 CS17310 [1,1,0,0,0,0|2,0,0]=4 701 B10R1.13 NC(=O)C1=NC=C(Br)C=C1 MC41603 [1,1,0,0,0,0|2,0,0]=4 702 B10R1.13 NC(=O)C1=NC=C(Cl)C=C1 MC33351 [1,1,0,0,0,0|2,0,0]=4 703 B10R1.13 NC(=O)C1=NC=C(F)C=C1 CS16336 [1,1,0,0,0,0|2,0,0]=4 704 B10R1.13 NC(=O)C1=NC=C(N)C=C1 CS10223 [1,1,0,0,0,0|2,0,0]=4 705 B10R1.13 NC1=CN=C(C(=O)O)C=C1 CS19367 [1,1,0,0,0,0|2,0,0]=4 706 B10R1.13 O=C(O)C1=NC=C(Br)C=C1 CS22033 [1,1,0,0,0,0|2,0,0]=4 707 B10R1.13 O=C(O)C1=NC=C(Cl)C=C1 CS19376 [1,1,0,0,0,0|2,0,0]=4 708 B10R1.13 O=C(O)C1=NC=C(F)C=C1 CS10387 [1,1,0,0,0,0|2,0,0]=4 709 B10R1.13 O=C(O)C1=NC=C(I)C=C1 CS10412 [1,1,0,0,0,0|2,0,0]=4 710 B10R1.13 O=C(O)C1=NC=C(O)C=C1 CS22997 [1,1,0,0,0,0|2,0,0]=4 711 B10R1.15 COC(=N)C1=NC=CC=C1 MC106728 [1,1,0,0,0,0|2,0,0]=4 712 B10R1.15 COC(=O)C1=CC=CC=C1 MC40065 [1,1,0,0,0,0|2,0,0]=4 713 B10R1.15 COC(=O)C1=CC=CN=N1 MC444561 [1,1,0,0,0,0|2,0,0]=4 714 B10R1.15 COC(=O)C1=CC=NC=C1 CS18945 [1,1,0,0,0,0|1,0,0]=3 715 B10R1.15 COC(=O)C1=CN=NC=C1 CS13474 [1,1,0,0,0,0|2,0,0]=4 716 B10R1.15 COC(=O)C1=NC=CC=C1 CS19684 [1,1,0,0,0,0|1,0,0]=3 717 B10R1.15 COC(=O)C1=NC=CC=N1 CS19792 [1,1,0,0,0,0|2,0,0]=4 718 B10R1.15 COC(=O)C1=NC=NC=C1 MC444562 [1,1,0,0,0,0|0,0,0]=2 719 B10R1.15 C\C(=C\Br)C1=CC=NC=C1 MC111870 [1,1,0,0,0,0|2,0,0]=4 720 B10R1.15 NCC(=O)C1=CC=CC=C1 CS10874 [1,1,0,0,0,0|2,0,0]=4 721 B10R1.15 NCC(=O)C1=NC=CC=C1 MC33498 [1,1,0,0,0,0|1,0,0]=3 722 B10R1.15 NNC(=O)c1ccncc1 MC445177 [1,1,0,0,0,0|2,0,0]=4 723 B10R1.15 O=C(CBr)C1=CC=CC=C1 CS19274 [1,1,0,0,0,0|2,0,0]=4 724 B10R1.15 O=C(CBr)C1=CC=NC=C1 CS20175 [1,1,0,0,0,0|1,0,0]=3 725 B10R1.15 O=C(CBr)C1=NC=CC=N1 MC115988 [1,1,0,0,0,0|2,0,0]=4 726 B10R1.15 O=C(CBr)C1=NC=NC=C1 MC106959 [1,1,0,0,0,0|0,0,0]=2 727 B10R1.15 O=C(CCl)C1=CC=CC=C1 MC20159 [1,1,0,0,0,0|2,0,0]=4 728 B10R1.15 O=C(CI)C1=CC=CC=C1 MC433244 [1,1,0,0,0,0|2,0,0]=4 729 B10R1.28 CS(=O)(=O)C1=CC=NC=C1 MC33441 [1,1,0,0,0,0|2,0,0]=4 730 B10R1.61 CC(=O)C1=C(Br)C=CC=C1 CS18866 [1,1,0,0,0,0|2,0,0]=4 731 B10R1.61 CC(=O)C1=C(C)C=CC=C1 CS19710 [1,1,0,0,0,0|2,0,0]=4 732 B10R1.61 CC(=O)C1=C(Cl)C=CC=C1 MC41234 [1,1,0,0,0,0|2,0,0]=4 733 B10R1.61 CC(=O)C1=C(F)C=CC=C1 CS15490 [1,1,0,0,0,0|2,0,0]=4 734 B10R1.61 CC(=O)C1=C(F)C=NC=C1 MC113260 [1,1,0,0,0,0|1,0,0]=3 735 B10R1.61 CC(=O)C1=C(N)C=CC=C1 CS19948 [1,1,0,0,0,0|2,0,0]=4 736 B10R1.61 CC(=O)C1=C(N)C=NC=C1 MC427146 [1,1,0,0,0,0|1,0,0]=3 737 B10R1.61 CC(=O)C1=C(O)C=CC=C1 CS15026 [1,1,0,0,0,0|2,0,0]=4 738 B10R1.61 CC(=O)C1=C(O)C=NC=C1 MC427306 [1,1,0,0,0,0|1,0,0]=3 739 B10R1.61 CC(=O)C1=NC=CC=C1Br CS16209 [1,1,0,0,0,0|1,0,0]=3 740 B10R1.61 CC(=O)C1=NC=CC=C1Cl MC425055 [1,1,0,0,0,0|1,0,0]=3 741 B10R1.61 CC(=O)C1=NC=CC=C1F CS16198 [1,1,0,0,0,0|1,0,0]=3 742 B10R1.61 CC(=O)C1=NC=CC=C1O CS14450 [1,1,0,0,0,0|1,0,0]=3 743 B10R1.61 CC(=O)C1=NC=CN=C1Cl MC444224 [1,1,0,0,0,0|2,0,0]=4 744 B10R1.61 CC(=O)C1=NC=CN=C1N CS15534 [1,1,0,0,0,0|2,0,0]=4 745 B10R1.61 CC(=O)C1=NC=NC=C1Br MC115898 [1,1,0,0,0,0|0,0,0]=2 746 B10R1.61 CC1=C(C(=O)O)C=CN=C1 CS22360 [1,1,0,0,0,0|2,0,0]=4 747 B10R1.61 CC1=CC=CN=C1C(=O)O CS19680 [1,1,0,0,0,0|2,0,0]=4 748 B10R1.61 NC(=O)C1=C(Br)C=NC=C1 CS12247 [1,1,0,0,0,0|2,0,0]=4 749 B10R1.61 NC(=O)C1=C(N)C=NC=C1 CS22071 [1,1,0,0,0,0|2,0,0]=4 750 B10R1.61 NC(=O)C1=NC=CC=C1N CS18340 [1,1,0,0,0,0|2,0,0]=4 751 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS17968 [1,1,0,0,0,0|2,0,0]=4 752 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS21908 [1,1,0,0,0,0|2,0,0]=4 753 B10R1.61 NC1=CC=CN=C1C(=O)O CS17409 [1,1,0,0,0,0|2,0,0]=4 754 B10R1.61 NC1=CC=CN=C1C(=O)O CS19360 [1,1,0,0,0,0|2,0,0]=4 755 B10R1.61 O=C(O)C1=C(Br)C=NC=C1 CS22916 [1,1,0,0,0,0|2,0,0]=4 756 B10R1.61 O=C(O)C1=C(Cl)C=NC=C1 CS16220 [1,1,0,0,0,0|2,0,0]=4 757 B10R1.61 O=C(O)C1=C(F)C=NC=C1 CS19033 [1,1,0,0,0,0|2,0,0]=4 758 B10R1.61 O=C(O)C1=C(O)C=NC=C1 CS22995 [1,1,0,0,0,0|2,0,0]=4 759 B10R1.61 O=C(O)C1=NC=CC=C1Br CS22914 [1,1,0,0,0,0|2,0,0]=4 760 B10R1.61 O=C(O)C1=NC=CC=C1Cl CS15072 [1,1,0,0,0,0|2,0,0]=4 761 B10R1.61 O=C(O)C1=NC=CC=C1F CS18754 [1,1,0,0,0,0|2,0,0]=4 762 B10R1.61 O=C(O)C1=NC=CC=C1I CS12162 [1,1,0,0,0,0|2,0,0]=4 763 B10R1.61 O=C(O)C1=NC=CC=C1O CS22996 [1,1,0,0,0,0|2,0,0]=4 764 B10R1.61 O=C(O)C1=NC=NC=C1Br CS19718 [1,1,0,0,0,0|1,0,0]=3 765 B10R1.14 CC1=NOC(C(=O)CBr)=C1 CS11313 [0,1,0,0,1,0|2,0,0]=4 766 B10R1.14 CC1=NSC(C(=O)NN)=N1 MC42242 [0,1,0,0,1,0|2,0,0]=4 767 B10R1.14 CCC(=O)C1=CC=C(C)O1 MC41697 [0,1,0,0,1,0|1,0,0]=3 768 B10R1.14 COC(=O)C1=CC=C(Br)N1 CS13213 [0,1,0,0,1,0|1,0,1]=4 769 B10R1.14 COC(=O)C1=CC=C(Br)O1 CS19025 [0,1,0,0,1,0|2,0,0]=4 770 B10R1.14 COC(=O)C1=CC=C(Br)S1 CS10309 [0,1,0,0,1,0|2,0,0]=4 771 B10R1.14 COC(=O)C1=CC=C(Cl)O1 MC41693 [0,1,0,0,1,0|2,0,0]=4 772 B10R1.14 COC(=O)C1=CC=C(Cl)S1 CS17193 [0,1,0,0,1,0|2,0,0]=4 773 B10R1.14 COC(=O)C1=CN=C(Br)S1 CS17469 [0,1,0,0,1,0|2,0,0]=4 774 B10R1.14 COC(=O)C1=CN=C(Cl)S1 CS15219 [0,1,0,0,1,0|2,0,0]=4 775 B10R1.14 COC(=O)C1=CN=C(N)S1 CS17987 [0,1,0,0,1,0|2,0,0]=4 776 B10R1.14 COC(=O)C1=COC(C)=N1 CS19368 [0,1,0,0,1,0|1,0,0]=3 777 B10R1.14 COC(=O)C1=COC(Cl)=N1 CS12427 [0,1,0,0,1,0|2,0,0]=4 778 B10R1.14 COC(=O)C1=COC(I)=N1 CS17605 [0,1,0,0,1,0|2,0,0]=4 779 B10R1.14 COC(=O)C1=CSC(Br)=N1 CS17463 [0,1,0,0,1,0|2,0,0]=4 780 B10R1.14 COC(=O)C1=CSC(N)=N1 CS22767 [0,1,0,0,1,0|2,0,0]=4 781 B10R1.14 COC(=O)C1=NC(Br)=CS1 MC121155 [0,1,0,0,1,0|2,0,0]=4 782 B10R1.14 COC(=O)C1=NC(C)=CS1 CS11649 [0,1,0,0,1,0|1,0,0]=3 783 B10R1.14 COC(=O)C1=NC(C)=NS1 MC42244 [0,1,0,0,1,0|1,0,0]=3 784 B10R1.14 COC(=O)C1=NC=C(C)S1 MC20969 [0,1,0,0,1,0|2,0,0]=4 785 B10R1.14 COC(=O)C1=NN(C)C=N1 CS14510 [0,1,0,0,1,0|2,0,0]=4 786 B10R1.14 COC(=O)C1=NN(C)N=C1 MC113395 [0,1,0,0,1,0|1,0,0]=3 787 B10R1.14 COC(=O)C1=NN=C(C)O1 CS15328 [0,1,0,0,1,0|2,0,0]=4 788 B10R1.31 O=C(O)C1=CC=C(CO)O1 CS19449 [0,1,0,0,1,0|2,0,0]=4 789 B10R1.31 O=C(O)C1=CSC(CO)=N1 MC31089 [0,1,0,0,1,0|2,0,0]=4 790 B10R1.58 CC(=O)C1=CC(C)=C(Br)S1 CS16987 [0,1,0,0,1,0|2,0,0]=4 791 B10R1.58 CC1=C(Br)C=C(C(=O)O)S1 CS15301 [0,1,0,0,1,0|2,0,0]=4 792 B10R1.58 CC1=C(C)SC(C(=O)O)=N1 MC425658 [0,1,0,0,1,0|2,0,0]=4 793 B10R1.58 CN1N=C(C(=O)O)C=C1Br MC443314 [0,1,0,0,1,0|2,0,0]=4 794 B10R1.58 CN1N=C(C(=O)O)C=C1Cl MC100365 [0,1,0,0,1,0|2,0,0]=4 795 B10R1.58 CN1N=C(C(=O)O)C=C1N MC102000 [0,1,0,0,1,0|2,0,0]=4 796 B10R1.59 CC(=O)C1=C(C)N=C(Br)S1 MC442176 [0,1,0,0,1,0|2,0,0]=4 797 B10R1.59 CC(=O)C1=C(C)N=C(N)S1 MC442179 [0,1,0,0,1,0|2,0,0]=4 798 B10R1.59 CC(=O)C1=C(C)SC(C)=C1 CS20462 [0,1,0,0,1,0|2,0,0]=4 799 B10R1.59 CC(=O)C1=CC(C)=NN1C CS16943 [0,1,0,0,1,0|2,0,0]=4 800 B10R1.59 CC1=NC(C(=O)O)=C(Br)O1 MC113285 [0,1,0,0,1,0|2,0,0]=4 801 B10R1.59 CC1=NC(C)=C(C(=O)O)O1 CS13168 [0,1,0,0,1,0|2,0,0]=4 802 B10R1.59 CC1=NC(C)=C(C(=O)O)S1 CS10099 [0,1,0,0,1,0|2,0,0]=4 803 B10R1.59 CN1C=C(Br)C(C(=O)O)=N1 CS22732 [0,1,0,0,1,0|2,0,0]=4 804 B10R1.59 CN1C=C(N)C(C(N)=O)=N1 CS13391 [0,1,0,0,1,0|2,0,0]=4 805 B10R1.149 CC1=C(C(=O)CBr)C=NO1 MC430701 [0,1,0,0,1,0|2,0,0]=4 806 B10R1.149 COC(=O)C1=C(Br)SC=C1 CS14695 [0,1,0,0,1,0|2,0,0]=4 807 B10R1.149 COC(=O)C1=C(C)C=CS1 MC20532 [0,1,0,0,1,0|2,0,0]=4 808 B10R1.149 COC(=O)C1=C(C)N=CS1 CS10100 [0,1,0,0,1,0|1,0,0]=3 809 B10R1.149 COC(=O)C1=C(C)OC=N1 CS12233 [0,1,0,0,1,0|2,0,0]=4 810 B10R1.149 COC(=O)C1=C(C)SC=C1 CS12807 [0,1,0,0,1,0|1,0,0]=3 811 B10R1.149 COC(=O)C1=C(N)SC=C1 CS19504 [0,1,0,0,1,0|2,0,0]=4 812 B10R1.149 COC(=O)C1=CC=NN1C CS16991 [0,1,0,0,1,0|1,0,0]=3 813 B10R1.149 COC(=O)C1=CNN=C1C CS14906 [0,1,0,0,1,0|1,0,0]=3 814 B10R1.192 CC1=NOC(C)=C1C(=O)O CS19506 [0,1,0,0,1,0|2,0,0]=4 815 B10R1.192 CC1=NSC(Br)=C1C(=O)O MC106269 [0,1,0,0,1,0|2,0,0]=4 816 B10R1.192 CN1N=CC(I)=C1C(=O)O CS13419 [0,1,0,0,1,0|2,0,0]=4 817 B12R1.19 CC(=O)NC1=NC(C)=C(F)C=C1 CS17562 [0,1,0,0,0,1|1,0,0]=3 818 B12R1.19 CC(=O)NC1=NC(F)=C(I)C=C1 MC33468 [0,1,0,0,0,1|2,0,0]=4 819 B12R1.19 CC(=O)Nc1ccc(C)c(C)c1 MC40962 [0,1,0,0,0,1|2,0,0]=4 820 B12R1.19 CC(=O)OC1=CC(C)=C(Cl)C=C1 MC40003 [0,1,0,0,0,1|2,0,0]=4 821 B12R1.127 CC(=O)NC1=C(Br)C=CC(C)=C1 MC40955 [0,1,0,0,0,1|2,0,0]=4 822 B12R1.224 CC(=O)NC1=C(Cl)C(C)=CC=C1 MC40957 [0,1,0,0,0,1|2,0,0]=4 823 B12R1.438 COC1=CC=CC(CC(=O)O)=N1 MC432368 [0,1,0,0,0,1|2,0,0]=4 824 B12R1.438 COC1=CC=CC(CC(C)=O)=C1 CS22343 [0,1,0,0,0,1|2,0,0]=4 825 B12R1.48 CC(=O)C1=CC(C)=C(C#N)C=C1 MC433227 [0,2,0,0,0,0|2,0,0]=4 826 B12R1.48 CC1=C(C#N)C=CC(C(=O)O)=N1 MC431550 [0,2,0,0,0,0|2,0,0]=4 827 B12R1.48 COC1=C(C)C=C(C(C)=O)C=C1 MC41263 [0,2,0,0,0,0|2,0,0]=4 828 B12R1.56 COC1=C(Br)C=CC(C(=O)O)=N1 CS16863 [0,2,0,0,0,0|2,0,0]=4 829 B12R1.56 COC1=C(Cl)C=CC(C(=O)O)=N1 CS13301 [0,2,0,0,0,0|2,0,0]=4 830 B12R1.56 COC1=C(F)C=CC(C(C)=O)=C1 MC30272 [0,2,0,0,0,0|2,0,0]=4 831 B12R1.56 COC1=C(N)C=CC(C(=O)O)=N1 MC432347 [0,2,0,0,0,0|2,0,0]=4 832 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 CS14549 [0,2,0,0,0,0|2,0,0]=4 833 B12R1.367 CC1=C(Br)C=CC(C(=O)CBr)=C1 MC113998 [0,2,0,0,0,0|2,0,0]=4 834 B12R1.367 CNC(=O)C1=NC(N)=C(Br)C=C1 MC111788 [0,2,0,0,0,0|2,0,0]=4 835 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 CS13733 [0,2,0,0,0,0|2,0,0]=4 836 B12R1.367 COC(=O)C1=CC(C)=C(Cl)C=C1 CS11642 [0,2,0,0,0,0|2,0,0]=4 837 B12R1.367 COC(=O)C1=CC(C)=C(F)C=C1 CS13467 [0,2,0,0,0,0|2,0,0]=4 838 B12R1.367 COC(=O)C1=CC(C)=C(I)C=C1 MC40109 [0,2,0,0,0,0|2,0,0]=4 839 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 CS13862 [0,2,0,0,0,0|2,0,0]=4 840 B12R1.367 COC(=O)C1=NC(Br)=C(C)C=C1 CS19533 [0,2,0,0,0,0|2,0,0]=4 841 B12R1.367 COC(=O)C1=NC(C)=C(Br)C=C1 CS16719 [0,2,0,0,0,0|1,0,0]=3 842 B12R1.367 COC(=O)C1=NC(C)=C(C)N=C1 CS16868 [0,2,0,0,0,0|2,0,0]=4 843 B12R1.367 COC(=O)C1=NC(C)=C(Cl)N=C1 MC10335 [0,2,0,0,0,0|2,0,0]=4 844 B12R1.367 COC(=O)C1=NC(Cl)=C(Br)C=C1 CS16862 [0,2,0,0,0,0|2,0,0]=4 845 B12R1.367 COC(=O)C1=NC(Cl)=C(C)C=C1 CS16029 [0,2,0,0,0,0|2,0,0]=4 846 B12R1.367 COC(=O)C1=NC(Cl)=C(Cl)C=C1 CS16003 [0,2,0,0,0,0|2,0,0]=4 847 B12R1.367 COC(=O)C1=NC(N)=C(Br)C=C1 MC430945 [0,2,0,0,0,0|2,0,0]=4 848 B12R1.367 COC(=O)C1=NC(N)=C(N)C=C1 MC112955 [0,2,0,0,0,0|2,0,0]=4 849 B12R1.367 COC(=O)C1=NC(O)=C(C)C=C1 MC428183 [0,2,0,0,0,0|2,0,0]=4 850 B12R1.367 COC(=O)C1=NC(O)=C(O)C=C1 MC102411 [0,2,0,0,0,0|2,0,0]=4 851 B12R1.1005 CC(=O)C1=CC(Cl)=C(Cl)C(C)=C1 MC109833 [0,2,0,0,0,0|2,0,0]=4 852 B12R1.1005 CC(=O)C1=CC(F)=C(F)C(C)=C1 MC110192 [0,2,0,0,0,0|2,0,0]=4 853 B12R1.13 COC(OC)C1=NC(C)=NC=C1 MC442163 [0,2,0,0,0,0|0,0,2]=4 854 B12R1.17 CC1=CC=CC(C(=O)CC#N)=N1 MC20627 [0,2,0,0,0,0|1,0,0]=3 855 B12R1.17 CCOC(=O)C1=CC(Br)=NC=C1 MC20736 [0,2,0,0,0,0|2,0,0]=4 856 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 CS14959 [0,2,0,0,0,0|2,0,0]=4 857 B12R1.17 CCOC(=O)C1=CC(N)=NC=C1 CS17963 [0,2,0,0,0,0|2,0,0]=4 858 B12R1.17 CCOC(=O)C1=NC(=O)NC=C1 MC441257 [0,2,0,0,0,0|1,0,1]=4 859 B12R1.17 CCOC(=O)C1=NC(Br)=CC=C1 CS13935 [0,2,0,0,0,0|2,0,0]=4 860 B12R1.17 CCOC(=O)C1=NC(Br)=NC=C1 MC442162 [0,2,0,0,0,0|1,0,0]=3 861 B12R1.17 CCOC(=O)C1=NC(Cl)=CC=C1 CS15548 [0,2,0,0,0,0|2,0,0]=4 862 B12R1.17 CCOC(=O)C1=NC(Cl)=NC=C1 MC441258 [0,2,0,0,0,0|1,0,0]=3 863 B12R1.17 CCOC(=O)C1=NC(N)=CC=C1 CS10611 [0,2,0,0,0,0|2,0,0]=4 864 B12R1.17 CCOC(=O)C1=NC(N)=NC=C1 MC441256 [0,2,0,0,0,0|1,0,0]=3 865 B12R1.24 COC(=O)C1=C(Br)C(C)=CC=C1 CS13594 [0,2,0,0,0,0|2,0,0]=4 866 B12R1.24 COC(=O)C1=C(C)C(C)=CC=C1 MC40100 [0,2,0,0,0,0|2,0,0]=4 867 B12R1.24 COC(=O)C1=C(C)C(Cl)=NC=C1 MC113400 [0,2,0,0,0,0|2,0,0]=4 868 B12R1.24 COC(=O)C1=C(F)C(C)=CC=C1 MC433686 [0,2,0,0,0,0|2,0,0]=4 869 B12R1.24 COC(=O)C1=C(F)C(Cl)=NC=C1 CS20030 [0,2,0,0,0,0|2,0,0]=4 870 B12R1.24 COC(=O)C1=C(F)C(F)=NC=C1 MC433053 [0,2,0,0,0,0|2,0,0]=4 871 B12R1.24 COC(=O)C1=C(N)C(C)=CC=C1 CS21163 [0,2,0,0,0,0|2,0,0]=4 872 B12R1.24 COC(=O)C1=C(N)C(C)=NC=C1 MC104239 [0,2,0,0,0,0|1,0,0]=3 873 B12R1.24 COC(=O)C1=C(N)C(Cl)=NC=C1 CS18050 [0,2,0,0,0,0|2,0,0]=4 874 B12R1.24 COC(=O)C1=C(O)C(Cl)=NC=C1 MC432365 [0,2,0,0,0,0|2,0,0]=4 875 B12R1.354 COC(=O)C1=C(N)C=CC(C)=C1 CS12341 [0,2,0,0,0,0|2,0,0]=4 876 B12R1.354 COC(=O)C1=CC(Br)=NC=C1N MC102353 [0,2,0,0,0,0|2,0,0]=4 877 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1N CS17055 [0,2,0,0,0,0|2,0,0]=4 878 B12R1.354 COC(=O)C1=CC(Cl)=NC=C1O MC443384 [0,2,0,0,0,0|2,0,0]=4 879 B12R1.354 COC(=O)C1=CC(N)=NC=C1Br CS12420 [0,2,0,0,0,0|2,0,0]=4 880 B12R1.354 COC(=O)C1=CC(O)=NC=C1Br CS12235 [0,2,0,0,0,0|2,0,0]=4 881 B12R1.354 COC(=O)C1=NC(Br)=CC=C1N CS15657 [0,2,0,0,0,0|2,0,0]=4 882 B12R1.354 COC(=O)C1=NC(Br)=CC=C1O CS16597 [0,2,0,0,0,0|2,0,0]=4 883 B12R1.354 COC(=O)C1=NC(C)=CC=C1O MC111036 [0,2,0,0,0,0|1,0,0]=3 884 B12R1.354 COC(=O)C1=NC(C)=CN=C1C CS17622 [0,2,0,0,0,0|2,0,0]=4 885 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1C CS12796 [0,2,0,0,0,0|2,0,0]=4 886 B12R1.354 COC(=O)C1=NC(Cl)=CC=C1N CS15661 [0,2,0,0,0,0|2,0,0]=4 887 B12R1.354 COC(=O)C1=NC(F)=CC=C1F MC432234 [0,2,0,0,0,0|2,0,0]=4 888 B12R1.358 COC(=O)C1=CC(Br)=CC(C)=C1 CS14373 [0,2,0,0,0,0|2,0,0]=4 889 B12R1.358 COC(=O)C1=CC(Br)=NC(Br)=C1 MC41621 [0,2,0,0,0,0|2,0,0]=4 890 B12R1.358 COC(=O)C1=CC(Cl)=NC(C)=C1 CS14289 [0,2,0,0,0,0|1,0,0]=3 891 B12R1.358 COC(=O)C1=CC(Cl)=NC(Cl)=C1 CS11596 [0,2,0,0,0,0|2,0,0]=4 892 B12R1.358 COC(=O)C1=CC(N)=CC(C)=C1 CS11619 [0,2,0,0,0,0|2,0,0]=4 893 B12R1.358 COC(=O)C1=NC(C)=CC(C)=C1 MC432026 [0,2,0,0,0,0|1,0,0]=3 894 B12R1.358 COC(=O)C1=NC(C)=CC(N)=N1 MC103517 [0,2,0,0,0,0|2,0,0]=4 895 B12R1.358 COC(=O)C1=NC(Cl)=CC(Br)=C1 MC111115 [0,2,0,0,0,0|2,0,0]=4 896 B12R1.358 COC(=O)C1=NC(Cl)=CC(Cl)=C1 CS14945 [0,2,0,0,0,0|2,0,0]=4 897 B12R1.358 COC(=O)C1=NC(Cl)=NC(Cl)=C1 CS15387 [0,2,0,0,0,0|1,0,0]=3 898 B12R1.358 COC(=O)C1=NC(N)=NC(Cl)=C1 MC431547 [0,2,0,0,0,0|1,0,0]=3 899 B12R1.435 C#CC1=CC=CC(C(=O)OC)=N1 MC105758 [0,2,0,0,0,0|1,0,1]=4 900 B12R1.435 CCC(=O)C1=CC(OC)=CC=C1 CS22346 [0,2,0,0,0,0|2,0,0]=4 901 B12R1.435 CNC(=O)C1=CC(CN)=CC=C1 MC100301 [0,2,0,0,0,0|2,0,0]=4 902 B12R1.435 COC(=O)C1=CC(C#N)=NC=C1 CS21510 [0,2,0,0,0,0|1,0,1]=4 903 B12R1.435 COC(=O)C1=CC(C=O)=NC=C1 CS16859 [0,2,0,0,0,0|1,0,1]=4 904 B12R1.435 COC(=O)C1=CC(CBr)=CC=C1 CS21662 [0,2,0,0,0,0|2,0,0]=4 905 B12R1.435 COC(=O)C1=CC(CBr)=NC=C1 CS17850 [0,2,0,0,0,0|1,0,0]=3 906 B12R1.435 COC(=O)C1=CC(CBr)=NC=C1 MC430896 [0,2,0,0,0,0|1,0,0]=3 907 B12R1.435 COC(=O)C1=CC(CN)=CC=C1 CS11610 [0,2,0,0,0,0|2,0,0]=4 908 B12R1.435 COC(=O)C1=CC(CO)=NC=C1 MC105759 [0,2,0,0,0,0|1,0,0]=3 909 B12R1.435 COC(=O)C1=CC(OC)=NC=C1 CS11608 [0,2,0,0,0,0|1,0,0]=3 910 B12R1.435 COC(=O)C1=NC(CBr)=CC=C1 CS21402 [0,2,0,0,0,0|1,0,0]=3 911 B12R1.435 COC(=O)C1=NC(OC)=CC=C1 MC425550 [0,2,0,0,0,0|1,0,0]=3 912 B12R1.435 COC(=O)c1cccc(CO)n1 MC434008 [0,2,0,0,0,0|1,0,0]=3 913 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 CS11021 [0,2,0,0,0,0|2,0,0]=4 914 B12R1.435 COC1=CC=CC(C(=O)NN)=N1 MC425563 [0,2,0,0,0,0|2,0,0]=4 915 B12R1.11 COC1=CC(C(=O)O)=CC(Cl)=N1 MC425638 [0,2,0,0,0,0|2,0,0]=4 916 B12R1.11 COC1=CC(Cl)=CC(C(=O)O)=N1 MC111775 [0,2,0,0,0,0|2,0,0]=4 917 B12R1.102 CC1=NC(C(C)(C)C)=CC(N)=N1 MC107234 [0,2,0,0,0,0|1,0,1]=4 918 B12R1.102 CC1=NC(C(C)(C)C)=CC(O)=N1 MC107232 [0,2,0,0,0,0|1,0,1]=4 919 B12R1.102 CC1=NC(Cl)=CC(C(C)(C)C)=N1 MC107233 [0,2,0,0,0,0|1,0,1]=4 920 B12R1.511 CC(=O)C1=C(Cl)C(C)=CC(Cl)=C1 MC109830 [0,2,0,0,0,0|2,0,0]=4 921 B12R1.511 CC(=O)C1=C(Cl)C(Cl)=CC(C)=C1 MC109828 [0,2,0,0,0,0|2,0,0]=4 922 B12R1.511 CC(=O)C1=C(F)C(C)=CC(F)=C1 MC110190 [0,2,0,0,0,0|2,0,0]=4 923 B12R1.511 CC(=O)C1=C(F)C(F)=CC(C)=C1 MC110187 [0,2,0,0,0,0|2,0,0]=4 924 B12R1.511 CC(=O)C1=C(O)C(C)=CC(C)=C1 MC107735 [0,2,0,0,0,0|2,0,0]=4 925 B12R1.440 COC1=CC=CC(C(C)=O)=C1O MC103731 [0,2,0,0,0,0|2,0,0]=4 926 B12R1.440 COC1=NC=CC(C(=O)O)=C1C CS17098 [0,2,0,0,0,0|2,0,0]=4 927 B12R1.440 COC1=NC=CC(C(=O)O)=C1F MC432576 [0,2,0,0,0,0|2,0,0]=4 928 B12R1.440 COC1=NC=CC(C(=O)O)=C1N MC33292 [0,2,0,0,0,0|2,0,0]=4 929 B12R1.46 COC1=CC=C(C)N=C1C(=O)O MC111035 [0,2,0,0,0,0|2,0,0]=4 930 B12R1.46 COC1=CN=C(C)N=C1C(=O)O MC105061 [0,2,0,0,0,0|1,0,0]=3 931 B12R1.453 COC1=CC(C(C)=O)=C(O)C=C1 MC446638 [0,2,0,0,0,0|2,0,0]=4 932 B12R1.453 COC1=NC=C(Cl)C(C(=O)O)=C1 CS17582 [0,2,0,0,0,0|2,0,0]=4 933 B12R1.453 COC1=NC=C(F)C(C(=O)O)=C1 MC110904 [0,2,0,0,0,0|2,0,0]=4 934 B12R1.453 CSC1=NC=C(Br)C(C(=O)O)=N1 CS14594 [0,2,0,0,0,0|1,0,0]=3 935 B12R1.453 CSC1=NC=C(Cl)C(C(=O)O)=N1 CS19062 [0,2,0,0,0,0|1,0,0]=3 936 B12R1.453 CSC1=NC=C(N)C(C(=O)O)=N1 CS12370 [0,2,0,0,0,0|1,0,0]=3 937 B12R1.453 O=C(O)C1=NC(CO)=NC=C1Br MC104297 [0,2,0,0,0,0|1,0,0]=3 938 B12R1.258 CC(=O)C1=CC(C(C)C)=CC=C1 MC443482 [0,2,0,0,0,0|2,0,0]=4 939 B12R1.258 CC(=O)C1=CC=CC(C(=O)O)=N1 MC430982 [0,2,0,0,0,0|1,0,1]=4 940 B12R1.258 CC(=O)C1=CC=CC(C(C)=O)=C1 MC428364 [0,2,0,0,0,0|2,0,0]=4 941 B12R1.258 CC(=O)C1=CC=CC(C(C)=O)=N1 CS18616 [0,2,0,0,0,0|1,0,0]=3 942 B12R1.258 CC(C)C1=CC=CC(C(=O)O)=N1 MC102189 [0,2,0,0,0,0|2,0,0]=4 943 B12R1.258 CC(C)C1=NC=CC(C(=O)O)=C1 MC443732 [0,2,0,0,0,0|2,0,0]=4 944 B12R1.258 CN(C)C1=NC=CC(C(=O)O)=N1 MC105764 [0,2,0,0,0,0|1,0,0]=3 945 B12R1.258 O=C(O)C1=NC(C(F)F)=CC=C1 MC430160 [0,2,0,0,0,0|2,0,0]=4 946 B10R2.32 O=C1CCC2=C1SC=C2 MC429082 [0,0,0,1,1,0|2,0,0]=4 947 B12R2.202 CC1=C2CC(=O)NC2=CC=C1 CS22978 [0,0,0,1,0,1|2,0,0]=4 948 B12R2.606 CC1=CC2=C(N=C(Cl)N=C2)N1 MC101940 [0,0,0,1,0,1|2,0,0]=4 949 B12R2.606 CC1=CC2=C(N=C(Cl)N=C2)S1 MC103578 [0,0,0,1,0,1|2,0,0]=4 950 B12R2.606 CC1=CC=C2CC(=O)NC2=C1 CS10744 [0,0,0,1,0,1|2,0,0]=4 951 B12R2.606 CC1=NC2=CN=C(Cl)N=C2N1 MC104904 [0,0,0,1,0,1|2,0,0]=4 952 B12R2.606 O=C1CC2=C(N=C(Cl)N=C2)N1 MC101894 [0,0,0,1,0,1|1,0,0]=3 953 B12R2.606 O=C1CC2=C(N=C(Cl)N=C2)N1 MC112972 [0,0,0,1,0,1|1,0,0]=3 954 B12R2.132 CC1=CC=C2CCC(=O)C2=C1 MC446759 [0,1,0,1,0,0|2,0,0]=4 955 B12R2.132 CC1=NC=C2OCC(=O)C2=C1 MC102724 [0,1,0,1,0,0|1,0,0]=3 956 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 CS14012 [0,1,0,1,0,0|2,0,0]=4 957 B8R1.1 CC1=CC(C=O)=CS1 MC443650 [1,0,0,0,1,0|2,0,0]=4 958 B8R1.1 CC1=CC=C(C=O)N1 CS10436 [1,0,0,0,1,0|0,0,1]=3 959 B8R1.1 CC1=CC=C(C=O)S1 MC20284 [1,0,0,0,1,0|1,0,0]=3 960 B8R1.1 CC1=CN=C(C=O)S1 MC425517 [1,0,0,0,1,0|2,0,0]=4 961 B8R1.1 CC1=COC(C=O)=C1 MC104341 [1,0,0,0,1,0|2,0,0]=4 962 B8R1.1 CC1=COC(C=O)=N1 MC104070 [1,0,0,0,1,0|1,0,0]=3 963 B8R1.1 CC1=CSC(C=O)=N1 MC431095 [1,0,0,0,1,0|1,0,0]=3 964 B8R1.1 CC1=NC=C(C=O)S1 MC21171 [1,0,0,0,1,0|1,0,0]=3 965 B8R1.1 CC1=NSC(C=O)=C1 MC116147 [1,0,0,0,1,0|2,0,0]=4 966 B8R1.1 CN1C=C(C=O)C=N1 CS18189 [1,0,0,0,1,0|2,0,0]=4 967 B8R1.1 CN1C=CC(C=O)=N1 CS18204 [1,0,0,0,1,0|1,0,0]=3 968 B8R1.1 NC1=NC=C(C=O)S1 CS21279 [1,0,0,0,1,0|2,0,0]=4 969 B8R1.1 O=CC1=CC=C(Br)S1 CS18323 [1,0,0,0,1,0|2,0,0]=4 970 B8R1.1 O=CC1=CC=C(I)O1 MC430408 [1,0,0,0,1,0|2,0,0]=4 971 B8R1.1 O=CC1=CSC(Br)=N1 CS15326 [1,0,0,0,1,0|2,0,0]=4 972 B8R1.1 O=CC1=NC(Br)=CS1 CS13190 [1,0,0,0,1,0|2,0,0]=4 973 B8R1.11 CC1=NNC=C1C=O CS22355 [1,0,0,0,1,0|1,0,0]=3 974 B8R1.11 CN1N=CC=C1C=O CS18205 [1,0,0,0,1,0|1,0,0]=3 975 B8R1.11 CN1N=CN=C1C=O MC106469 [1,0,0,0,1,0|2,0,0]=4 976 B8R1.11 CN1N=NC=C1C=O MC107582 [1,0,0,0,1,0|2,0,0]=4 977 B8R1.11 O=CC1=C(Br)N=CS1 CS15329 [1,0,0,0,1,0|2,0,0]=4 978 B8R1.11 O=CC1=C(Br)SC=C1 MC441008 [1,0,0,0,1,0|2,0,0]=4 979 B8R1.11 O=CC1=C(Cl)N=CS1 CS22797 [1,0,0,0,1,0|2,0,0]=4 980 B8R1.11 O=CC1=C(Cl)SC=C1 MC442673 [1,0,0,0,1,0|2,0,0]=4 981 B8R1.11 O=CC1=C(I)SC=C1 MC443799 [1,0,0,0,1,0|2,0,0]=4 982 B8R1.7 CC(=O)C1=CC=CO1 CS18634 [1,0,0,0,1,0|1,0,0]=3 983 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [1,0,0,0,1,0|1,0,0]=3 984 B8R1.7 CC(=O)C1=CC=NO1 CS15344 [1,0,0,0,1,0|1,0,0]=3 985 B8R1.7 CC(=O)C1=CN=NS1 MC106686 [1,0,0,0,1,0|2,0,0]=4 986 B8R1.7 CC(=O)C1=CNC=N1 CS20378 [1,0,0,0,1,0|0,0,1]=3 987 B8R1.7 CC(=O)C1=CSC=C1 CS18739 [1,0,0,0,1,0|1,0,0]=3 988 B8R1.7 CC(=O)C1=CSC=N1 CS13244 [1,0,0,0,1,0|1,0,0]=3 989 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [1,0,0,0,1,0|1,0,0]=3 990 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [1,0,0,0,1,0|1,0,0]=3 991 B8R1.7 CC(=O)C1=NNC=C1 CS13441 [1,0,0,0,1,0|0,0,1]=3 992 B8R1.7 CC(=O)C1=NOC=C1 MC116141 [1,0,0,0,1,0|1,0,0]=3 993 B8R1.7 CC(=O)N1C=CN=C1 MC428372 [1,0,0,0,1,0|1,0,0]=3 994 B8R1.7 NC(=O)C1=COC=N1 CS11829 [1,0,0,0,1,0|2,0,0]=4 995 B8R1.7 NC(=O)C1=NC=CN1 CS15603 [1,0,0,0,1,0|2,0,0]=4 996 B8R1.7 NC(=O)C1=NNC=C1 CS12173 [1,0,0,0,1,0|1,0,1]=4 997 B8R1.7 O=C(Cl)C1=NOC=C1 MC106027 [1,0,0,0,1,0|2,0,0]=4 998 B8R1.7 O=C(O)C1=CC=CN1 CS17766 [1,0,0,0,1,0|1,0,1]=4 999 B8R1.7 O=C(O)C1=CC=CO1 CS16202 [1,0,0,0,1,0|2,0,0]=4 1000 B8R1.7 O=C(O)C1=CC=CS1 MC41710 [1,0,0,0,1,0|2,0,0]=4 1001 B8R1.7 O=C(O)C1=CC=NO1 CS15566 [1,0,0,0,1,0|2,0,0]=4 1002 B8R1.7 O=C(O)C1=CN=CS1 CS15551 [1,0,0,0,1,0|2,0,0]=4 1003 B8R1.7 O=C(O)C1=CNC=C1 CS16294 [1,0,0,0,1,0|1,0,1]=4 1004 B8R1.7 O=C(O)C1=CNC=N1 CS19657 [1,0,0,0,1,0|1,0,1]=4 1005 B8R1.7 O=C(O)C1=CNN=C1 CS19027 [1,0,0,0,1,0|2,0,0]=4 1006 B8R1.7 O=C(O)C1=CNN=N1 CS20475 [1,0,0,0,1,0|2,0,0]=4 1007 B8R1.7 O=C(O)C1=COC=C1 CS14540 [1,0,0,0,1,0|2,0,0]=4 1008 B8R1.7 O=C(O)C1=COC=N1 MC441322 [1,0,0,0,1,0|2,0,0]=4 1009 B8R1.7 O=C(O)C1=CON=C1 MC428244 [1,0,0,0,1,0|2,0,0]=4 1010 B8R1.7 O=C(O)C1=CSC=C1 CS22727 [1,0,0,0,1,0|2,0,0]=4 1011 B8R1.7 O=C(O)C1=CSC=N1 CS10126 [1,0,0,0,1,0|2,0,0]=4 1012 B8R1.7 O=C(O)C1=CSN=C1 CS22713 [1,0,0,0,1,0|2,0,0]=4 1013 B8R1.7 O=C(O)C1=NC=CN1 CS19852 [1,0,0,0,1,0|2,0,0]=4 1014 B8R1.7 O=C(O)C1=NC=CO1 MC106568 [1,0,0,0,1,0|2,0,0]=4 1015 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [1,0,0,0,1,0|2,0,0]=4 1016 B8R1.7 O=C(O)C1=NNC=C1 CS18779 [1,0,0,0,1,0|1,0,1]=4 1017 B8R1.7 O=C(O)C1=NOC=C1 CS18235 [1,0,0,0,1,0|2,0,0]=4 1018 B8R1.7 O=C(O)C1=NON=C1 CS20479 [1,0,0,0,1,0|2,0,0]=4 1019 B8R1.7 O=C(O)C1=NSC=C1 MC113170 [1,0,0,0,1,0|2,0,0]=4 1020 B10R1.18 CC(=O)CC1=CC=NC=C1 CS20988 [1,0,0,0,0,1|1,0,0]=3 1021 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,0,0,0,0,1|1,0,0]=3 1022 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [1,0,0,0,0,1|2,0,0]=4 1023 B10R1.18 CC(=O)NC1=CC=CC=C1 MC34102 [1,0,0,0,0,1|2,0,0]=4 1024 B10R1.18 O=C(O)CC1=CC=NC=C1 CS20327 [1,0,0,0,0,1|2,0,0]=4 1025 B10R1.18 O=C(O)CC1=CC=NC=C1 MC41632 [1,0,0,0,0,1|2,0,0]=4 1026 B10R1.18 O=C(O)CC1=NC=CC=C1 MC41631 [1,0,0,0,0,1|2,0,0]=4 1027 B10R1.18 O=C(O)CC1=NC=NC=C1 MC113226 [1,0,0,0,0,1|1,0,0]=3