0 B10R1.61 B(C1=CC=CC=C1N)(O)O PI-31530 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 C1=C(C(=NC=N1)N)C(=O)O PI-42082 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)N PI-34520 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.61 C1=CC(=C(N=C1)Br)C(=O)O PI-28439 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.61 C1=CC(=C(N=C1)Br)[N+](=O)[O-] PI-28253 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)Cl PI-16729 [0,0,0,0,0,0|3,0,0]=3 6 B10R1.61 C1=CC(=C(N=C1)Cl)C(=O)N PI-24027 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.61 C1=CC(=C(N=C1)N)[N+](=O)[O-] PI-10379 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.61 C1=CC(=C(N=C1)[N+](=O)[O-])O PI-10087 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Br PI-20527 [0,0,0,0,0,0|1,0,0]=1 10 B10R1.61 C1=CC=C(C(=C1)C(=O)N)Cl PI-23128 [0,0,0,0,0,0|1,0,0]=1 11 B10R1.61 C1=CC=C(C(=C1)C(=O)N)F PI-27598 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.61 C1=CC=C(C(=C1)C(=O)O)I PI-18960 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.61 C1=CC=C(C(=C1)C(=O)O)S PI-40146 [0,0,0,0,0,0|1,1,0]=2 14 B10R1.61 C1=CC=C(C(=C1)C(=O)[O-])F PI-28576 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.61 C1=CC=C(C(=C1)C(=S)N)N PI-17294 [0,0,0,0,0,0|1,1,0]=2 16 B10R1.61 C1=CC=C(C(=C1)C(Cl)Cl)F PI-19438 [0,0,0,0,0,0|3,0,1]=4 17 B10R1.61 C1=CC=CC(=C1B(O)O)Br PI-39926 [0,0,0,0,0,0|3,0,1]=4 18 B10R1.61 C1=CN=C(C(=O)N1)C(=O)[NH-] PI-49791 [0,0,0,0,0,0|2,0,2]=4 19 B10R1.61 C1=CN=CC(=C1Br)C(=O)O PI-42057 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.61 C1=CN=CC(=C1C(=O)O)F PI-34435 [0,0,0,0,0,0|3,0,0]=3 21 B10R1.61 C1=CN=CC(=C1C(=O)O)N PI-33158 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 C1=CN=CC(=C1N)[N+](=O)[O-] PI-16571 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.61 C1=CNC(=S)C(=C1)C(=O)O PI-16712 [0,0,0,0,0,0|2,1,0]=3 24 B10R1.61 C1=CNC=C(C1=O)C(=O)O PI-32174 [0,0,0,0,0,0|2,0,1]=3 25 B10R1.61 C1=CNC=C(C1=O)[N+](=O)[O-] PI-12188 [0,0,0,0,0,0|3,0,1]=4 26 B10R1.61 C1=CNC=C(C1=O)[N+](=O)[O-] PI-16572 [0,0,0,0,0,0|3,0,1]=4 27 B10R1.61 CC(=O)C1=C(C=NC=C1)N PI-48174 [0,0,0,0,0,0|3,0,0]=3 28 B10R1.61 CC(=O)C1=CC=CC=C1Br PI-12211 [0,0,0,0,0,0|2,0,0]=2 29 B10R1.61 CC(=O)C1=CC=CC=C1Cl PI-11622 [0,0,0,0,0,0|2,0,0]=2 30 B10R1.61 CC(=O)C1=CC=CC=C1F PI-16975 [0,0,0,0,0,0|2,0,0]=2 31 B10R1.61 CC(=O)C1=CC=CC=C1N PI-29399 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.61 CC(=O)c1ccccc1I PI-29345 [0,0,0,0,0,0|2,0,0]=2 33 B10R1.61 CC(=O)c1ccccc1N PI-11796 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.61 CC(C)c1ccccc1S PI-17353 [0,0,0,0,0,0|2,1,1]=4 35 B10R1.61 CC(C1=CC=CC=C1Cl)O PI-32584 [0,0,0,0,0,0|2,0,2]=4 36 B10R1.61 CC(C1=CC=CC=C1F)O PI-32582 [0,0,0,0,0,0|2,0,2]=4 37 B10R1.61 CC(O)C1=CC=CC=C1N PI-46775 [0,0,0,0,0,0|2,0,2]=4 38 B10R1.61 CC(c1ccccc1Br)C PI-21543 [0,0,0,0,0,0|3,0,1]=4 39 B10R1.61 CC1=C(C=CN=C1)C(=O)O PI-48282 [0,0,0,0,0,0|3,0,0]=3 40 B10R1.61 CC1=C(C=NC=C1)C(=O)O PI-48296 [0,0,0,0,0,0|3,0,0]=3 41 B10R1.61 CC1=C(C=NC=C1)[N+](=O)[O-] PI-10377 [0,0,0,0,0,0|4,0,0]=4 42 B10R1.61 CC1=CC=CC=C1C(=O)C PI-12963 [0,0,0,0,0,0|2,0,0]=2 43 B10R1.61 CC1=CC=CC=C1C(=O)Cl PI-34221 [0,0,0,0,0,0|2,0,0]=2 44 B10R1.61 CC1=NC=CN=C1C(=O)C PI-11038 [0,0,0,0,0,0|4,0,0]=4 45 B10R1.61 C[C@@H](C1=CC=CC=C1Br)O PI-50016 [0,0,0,0,0,0|2,0,2]=4 46 B10R1.61 C[C@@H](C1=CC=CC=C1F)O PI-50014 [0,0,0,0,0,0|2,0,2]=4 47 B10R1.61 C[C@H](C1=CC=CC=C1Br)O PI-50015 [0,0,0,0,0,0|2,0,2]=4 48 B10R1.61 C[C@H](C1=CC=CC=C1F)O PI-50013 [0,0,0,0,0,0|2,0,2]=4 49 B10R1.61 ClC(=O)c1ccccc1F PI-11847 [0,0,0,0,0,0|2,0,0]=2 50 B10R1.61 FC(F)c1ccccc1Br PI-21634 [0,0,0,0,0,0|3,0,1]=4 51 B10R1.61 NC(=O)c1nccnc1N PI-38832 [0,0,0,0,0,0|3,0,0]=3 52 B10R1.61 NC(=O)c1nccnc1O PI-38271 [0,0,0,0,0,0|2,0,0]=2 53 B10R1.61 NC(=S)c1ccccc1Br PI-22612 [0,0,0,0,0,0|1,1,0]=2 54 B10R1.61 NC(C1=CC=CC=C1O)=S PI-20875 [0,0,0,0,0,0|0,1,0]=1 55 B10R1.61 O=C(C1=C(Cl)C=NC=C1)O PI-37397 [0,0,0,0,0,0|3,0,0]=3 56 B10R1.61 O=[N+](C1=C(Br)C=CN=C1)[O-] PI-37164 [0,0,0,0,0,0|4,0,0]=4 57 B10R1.61 O=[N+](C1=CC=CN=C1F)[O-] PI-37086 [0,0,0,0,0,0|4,0,0]=4 58 B10R1.61 OB(c1ccccc1C)O PI-10305 [0,0,0,0,0,0|3,0,1]=4 59 B10R1.61 OB(c1ccccc1F)O PI-28003 [0,0,0,0,0,0|3,0,1]=4 60 B10R1.61 OB(c1ccccc1O)O PI-37992 [0,0,0,0,0,0|2,0,1]=3 61 B10R1.61 OC(=O)c1ccccc1F PI-16976 [0,0,0,0,0,0|2,0,0]=2 62 B10R1.61 OC(=O)c1cccnc1Cl PI-31141 [0,0,0,0,0,0|3,0,0]=3 63 B10R1.61 OC(=O)c1cccnc1F PI-16387 [0,0,0,0,0,0|3,0,0]=3 64 B10R1.61 OC(=O)c1cccnc1N PI-31221 [0,0,0,0,0,0|3,0,0]=3 65 B10R1.61 OC(=O)c1cccnc1O PI-16700 [0,0,0,0,0,0|2,0,0]=2 66 B10R1.61 OC(=O)c1ccncc1Br PI-28140 [0,0,0,0,0,0|3,0,0]=3 67 B10R1.61 OC(=O)c1ccncc1I PI-38273 [0,0,0,0,0,0|3,0,0]=3 68 B10R1.61 OC(=O)c1ccncc1N PI-10177 [0,0,0,0,0,0|3,0,0]=3 69 B10R1.61 OC(=O)c1ccncc1O PI-28020 [0,0,0,0,0,0|2,0,0]=2 70 B10R1.61 OC(=O)c1cnccc1Cl PI-24019 [0,0,0,0,0,0|3,0,0]=3 71 B10R1.61 OC(=O)c1cnccc1N PI-10029 [0,0,0,0,0,0|3,0,0]=3 72 B10R1.61 OC(=O)c1ncccc1Br PI-28360 [0,0,0,0,0,0|3,0,0]=3 73 B10R1.61 OC(=O)c1ncccc1Cl PI-34714 [0,0,0,0,0,0|3,0,0]=3 74 B10R1.61 OC(=O)c1ncccc1F PI-34434 [0,0,0,0,0,0|3,0,0]=3 75 B10R1.61 OC(=O)c1ncccc1N PI-14129 [0,0,0,0,0,0|3,0,0]=3 76 B10R1.61 OC(=O)c1ncccc1O PI-16553 [0,0,0,0,0,0|2,0,0]=2 77 B10R1.61 OC(=O)c1nccnc1Cl PI-29423 [0,0,0,0,0,0|4,0,0]=4 78 B10R1.61 OC(=O)c1nccnc1O PI-29323 [0,0,0,0,0,0|3,0,0]=3 79 B10R1.61 SC1=CC=CC=C1B(O)O PI-40744 [0,0,0,0,0,0|2,1,1]=4 80 B10R1.61 [O-][N+](=O)c1ccccc1Cl PI-34106 [0,0,0,0,0,0|3,0,0]=3 81 B10R1.61 [O-][N+](=O)c1ccccc1F PI-33137 [0,0,0,0,0,0|3,0,0]=3 82 B10R1.61 [O-][N+](=O)c1ccccc1S PI-17367 [0,0,0,0,0,0|2,1,0]=3 83 B10R1.61 [O-][N+](=O)c1cccnc1C PI-31380 [0,0,0,0,0,0|4,0,0]=4 84 B10R1.61 [O-][N+](=O)c1cccnc1Cl PI-25662 [0,0,0,0,0,0|4,0,0]=4 85 B10R1.61 [O-][N+](=O)c1cccnc1O PI-10109 [0,0,0,0,0,0|3,0,0]=3 86 B10R1.61 [O-][N+](=O)c1cccnc1S PI-36518 [0,0,0,0,0,0|3,1,0]=4 87 B10R1.61 [O-][N+](=O)c1ccncc1Br PI-34857 [0,0,0,0,0,0|4,0,0]=4 88 B10R1.61 [O-][N+](=O)c1cnccc1Cl PI-16715 [0,0,0,0,0,0|4,0,0]=4 89 B10R1.61 [O-][N+](=O)c1cnccc1Cl PI-24477 [0,0,0,0,0,0|4,0,0]=4 90 B10R1.61 [O-][N+](=O)c1ncccc1Br PI-35802 [0,0,0,0,0,0|4,0,0]=4 91 B10R1.61 [O-][N+](=O)c1ncccc1N PI-16570 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.6 C1=C(C=NC=N1)C(=O)O PI-21348 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.6 C1=CC(=CN=C1)C(=O)Cl PI-18307 [1,0,0,0,0,0|2,0,0]=3 94 B9R1.6 C1=CC(=CN=C1)C(=O)N PI-14591 [1,0,0,0,0,0|1,0,0]=2 95 B9R1.6 C1=CC(=CN=C1)C(=S)N PI-41116 [1,0,0,0,0,0|1,1,0]=3 96 B9R1.6 C1=CC(=NN=C1)C(=O)Cl PI-48417 [1,0,0,0,0,0|3,0,0]=4 97 B9R1.6 C1=CC=C(C=C1)C(=O)Br PI-46923 [1,0,0,0,0,0|1,0,0]=2 98 B9R1.6 C1=CC=NC(=C1)C(=O)Cl PI-36884 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.6 C1=CC=NC(=C1)C(=O)O PI-44932 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.6 C1=CN=C(C=N1)C(=N)N PI-33861 [1,0,0,0,0,0|3,0,0]=4 101 B9R1.6 C1=CN=C(N=C1)C(=N)N PI-45842 [1,0,0,0,0,0|3,0,0]=4 102 B9R1.6 C1=CN=CC=C1C(=N)N PI-17542 [1,0,0,0,0,0|2,0,0]=3 103 B9R1.6 C1=CN=CC=C1C(=N)N PI-36524 [1,0,0,0,0,0|2,0,0]=3 104 B9R1.6 C1=CN=CC=C1C(=O)Cl PI-29544 [1,0,0,0,0,0|2,0,0]=3 105 B9R1.6 C1=CN=CC=C1C(=O)N PI-46036 [1,0,0,0,0,0|1,0,0]=2 106 B9R1.6 C1=CN=CC=C1C(=S)N PI-41117 [1,0,0,0,0,0|1,1,0]=3 107 B9R1.6 C1=CN=NC=C1C(=O)O PI-32630 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.6 C1=NC=CN=C1C(O)=O PI-14238 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.6 CC(=O)C1=CC=CC=N1 PI-48516 [1,0,0,0,0,0|2,0,0]=3 110 B9R1.6 CC(=O)C1=CN=CN=C1 PI-40256 [1,0,0,0,0,0|3,0,0]=4 111 B9R1.6 CC(=O)C1=NC=CC=N1 PI-42079 [1,0,0,0,0,0|3,0,0]=4 112 B9R1.6 CC(=O)C1=NC=CN=C1 PI-16283 [1,0,0,0,0,0|3,0,0]=4 113 B9R1.6 CC(=O)c1cccnc1 PI-32250 [1,0,0,0,0,0|2,0,0]=3 114 B9R1.6 CC(=O)c1ccncc1 PI-38297 [1,0,0,0,0,0|2,0,0]=3 115 B9R1.6 CC(C1=CC=CC=C1)N PI-32638 [1,0,0,0,0,0|1,0,1]=3 116 B9R1.6 CC(c1ccccn1)N PI-38576 [1,0,0,0,0,0|2,0,1]=4 117 B9R1.6 CC(c1ccncc1)N PI-38572 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.6 CN(C1=CC=CC=C1)N PI-29778 [1,0,0,0,0,0|2,0,0]=3 119 B9R1.6 C[C@@H](C1=CC=CC=C1)O PI-50011 [1,0,0,0,0,0|1,0,2]=4 120 B9R1.6 C[C@@H](N)c1ccccn1 PI-36896 [1,0,0,0,0,0|2,0,1]=4 121 B9R1.6 C[C@@H](c1ccccc1)N PI-11219 [1,0,0,0,0,0|1,0,1]=3 122 B9R1.6 C[C@H](c1ccccc1)N PI-11221 [1,0,0,0,0,0|1,0,1]=3 123 B9R1.6 C[C@H](c1ccccc1)O PI-38963 [1,0,0,0,0,0|1,0,2]=4 124 B9R1.6 C[SiH](c1ccccc1)C PI-39122 [1,0,0,0,0,0|2,1,0]=4 125 B9R1.6 N1=C(N=CC=C1)C(=O)O PI-36489 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.6 N=C(C1=CC=CN=C1)N PI-36525 [1,0,0,0,0,0|2,0,0]=3 127 B9R1.6 N=C(N)C1=CN=CC=C1 PI-30891 [1,0,0,0,0,0|2,0,0]=3 128 B9R1.6 NC(=N)c1ccccc1 PI-30200 [1,0,0,0,0,0|1,0,0]=2 129 B9R1.6 NC(=N)c1ccccn1 PI-30669 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.6 NC(=O)c1cccnc1 PI-12870 [1,0,0,0,0,0|1,0,0]=2 131 B9R1.6 NC(=S)c1ccccc1 PI-29356 [1,0,0,0,0,0|0,1,0]=2 132 B9R1.6 NC(=S)c1cncnc1 PI-36422 [1,0,0,0,0,0|2,1,0]=4 133 B9R1.6 O=[N+](C1=CC=NC=C1)[O-] PI-46824 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.6 OB(O)c1ccccc1 PI-16480 [1,0,0,0,0,0|2,0,1]=4 135 B9R1.6 OC(=O)c1cccnc1 PI-15824 [1,0,0,0,0,0|2,0,0]=3 136 B9R1.6 OC(=O)c1ccncn1 PI-32629 [1,0,0,0,0,0|3,0,0]=4 137 B9R1.6 [O-]C(=O)c1ccccn1 PI-27190 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.15 BrC1=NC=CC=C1C=O PI-39999 [1,0,0,0,0,0|2,0,0]=3 139 B9R1.15 BrCc1ccccc1Br PI-11809 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.15 BrCc1ccccc1I PI-29573 [1,0,0,0,0,0|2,0,1]=4 141 B9R1.15 C#CC1=CC=CC=C1Cl PI-30962 [1,0,0,0,0,0|2,0,1]=4 142 B9R1.15 C#CC1=CC=CC=C1F PI-30912 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.15 C#Cc1ccccc1Br PI-30911 [1,0,0,0,0,0|2,0,1]=4 144 B9R1.15 C1=CC(=C(N=C1)C#N)O PI-31932 [1,0,0,0,0,0|1,0,2]=4 145 B9R1.15 C1=CC(=C(N=C1)C=O)O PI-20863 [1,0,0,0,0,0|1,0,0]=2 146 B9R1.15 C1=CC(=C(N=C1)CN)F PI-49343 [1,0,0,0,0,0|2,0,1]=4 147 B9R1.15 C1=CC(=C(N=C1)CO)O PI-16743 [1,0,0,0,0,0|1,0,2]=4 148 B9R1.15 C1=CC(=C(N=C1)Cl)C=O PI-34991 [1,0,0,0,0,0|2,0,0]=3 149 B9R1.15 C1=CC(=C(N=C1)F)C=O PI-39564 [1,0,0,0,0,0|2,0,0]=3 150 B9R1.15 C1=CC(=C(N=C1)NN)Cl PI-45938 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.15 C1=CC=C(C(=C1)C#N)I PI-10113 [1,0,0,0,0,0|1,0,2]=4 152 B9R1.15 C1=CC=C(C(=C1)C=O)Br PI-11807 [1,0,0,0,0,0|1,0,0]=2 153 B9R1.15 C1=CC=C(C(=C1)CBr)Cl PI-11821 [1,0,0,0,0,0|2,0,1]=4 154 B9R1.15 C1=CC=C(C(=C1)CBr)F PI-28536 [1,0,0,0,0,0|2,0,1]=4 155 B9R1.15 C1=CC=C(C(=C1)CCl)F PI-34128 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.15 C1=CC=C(C(=C1)CN)Br PI-11810 [1,0,0,0,0,0|1,0,1]=3 157 B9R1.15 C1=CC=C(C(=C1)CN)Cl PI-11822 [1,0,0,0,0,0|1,0,1]=3 158 B9R1.15 C1=CC=C(C(=C1)CN)F PI-31326 [1,0,0,0,0,0|1,0,1]=3 159 B9R1.15 C1=CC=C(C(=C1)CO)Br PI-30250 [1,0,0,0,0,0|1,0,2]=4 160 B9R1.15 C1=CC=C(C(=C1)CO)Cl PI-23166 [1,0,0,0,0,0|1,0,2]=4 161 B9R1.15 C1=CC=C(C(=C1)CO)N PI-11798 [1,0,0,0,0,0|1,0,2]=4 162 B9R1.15 C1=CC=C(C(=C1)CS)Br PI-20548 [1,0,0,0,0,0|1,1,1]=4 163 B9R1.15 C1=CC=C(C(=C1)CS)Cl PI-11007 [1,0,0,0,0,0|1,1,1]=4 164 B9R1.15 C1=CC=C(C(=C1)NN)Br PI-11813 [1,0,0,0,0,0|2,0,0]=3 165 B9R1.15 C1=CC=C(C(=C1)NN)Cl PI-29581 [1,0,0,0,0,0|2,0,0]=3 166 B9R1.15 C1=CC=C(C(=C1)NN)F PI-16908 [1,0,0,0,0,0|2,0,0]=3 167 B9R1.15 C1=CC=C(C(=C1)NN)F PI-31140 [1,0,0,0,0,0|2,0,0]=3 168 B9R1.15 C1=CN=CC(=C1C=O)O PI-34863 [1,0,0,0,0,0|1,0,0]=2 169 B9R1.15 C1=CN=CC(=C1N)C=O PI-14094 [1,0,0,0,0,0|2,0,0]=3 170 B9R1.15 C=CC1=CC=CC=C1Br PI-14519 [1,0,0,0,0,0|2,0,0]=3 171 B9R1.15 C=Cc1ccccc1F PI-33746 [1,0,0,0,0,0|2,0,0]=3 172 B9R1.15 CC1=CC=CC=C1C=O PI-27677 [1,0,0,0,0,0|1,0,0]=2 173 B9R1.15 CCC1=CC=CC=C1Br PI-19276 [1,0,0,0,0,0|2,0,1]=4 174 B9R1.15 CCC1=CC=CC=C1Cl PI-19970 [1,0,0,0,0,0|2,0,1]=4 175 B9R1.15 CCC1=CC=CC=C1I PI-19242 [1,0,0,0,0,0|2,0,1]=4 176 B9R1.15 CCc1ccccc1C PI-36541 [1,0,0,0,0,0|2,0,1]=4 177 B9R1.15 CNC1=CC=CC=C1F PI-28236 [1,0,0,0,0,0|3,0,0]=4 178 B9R1.15 CNC1=CC=CC=C1N PI-23401 [1,0,0,0,0,0|3,0,0]=4 179 B9R1.15 CNC1=CC=CC=C1N PI-28564 [1,0,0,0,0,0|3,0,0]=4 180 B9R1.15 COC1=CC=CC=C1Br PI-34200 [1,0,0,0,0,0|3,0,0]=4 181 B9R1.15 COC1=CC=CC=C1Cl PI-34199 [1,0,0,0,0,0|3,0,0]=4 182 B9R1.15 COC1=CC=CC=C1F PI-12348 [1,0,0,0,0,0|3,0,0]=4 183 B9R1.15 COC1=CC=CC=C1I PI-50209 [1,0,0,0,0,0|3,0,0]=4 184 B9R1.15 COc1ccccc1S PI-21364 [1,0,0,0,0,0|2,1,0]=4 185 B9R1.15 CSC1=CC=CC=C1Br PI-11815 [1,0,0,0,0,0|3,0,0]=4 186 B9R1.15 CSC1=CC=CC=C1Cl PI-11833 [1,0,0,0,0,0|3,0,0]=4 187 B9R1.15 CSC1=CC=CC=C1F PI-11849 [1,0,0,0,0,0|3,0,0]=4 188 B9R1.15 CSC1=CC=CC=C1O PI-20874 [1,0,0,0,0,0|2,0,0]=3 189 B9R1.15 CSc1ccccc1I PI-13705 [1,0,0,0,0,0|3,0,0]=4 190 B9R1.15 N#Cc1ccccc1Br PI-11808 [1,0,0,0,0,0|1,0,2]=4 191 B9R1.15 N#Cc1ccccc1Cl PI-34735 [1,0,0,0,0,0|1,0,2]=4 192 B9R1.15 N#Cc1ccccc1F PI-27555 [1,0,0,0,0,0|1,0,2]=4 193 B9R1.15 N#Cc1ccccc1N PI-11517 [1,0,0,0,0,0|1,0,2]=4 194 B9R1.15 N#Cc1ccccc1O PI-11836 [1,0,0,0,0,0|0,0,2]=3 195 B9R1.15 NCc1ccccc1Br PI-38543 [1,0,0,0,0,0|1,0,1]=3 196 B9R1.15 NCc1ncccc1C PI-36263 [1,0,0,0,0,0|2,0,1]=4 197 B9R1.15 NNc1ccccc1C PI-29808 [1,0,0,0,0,0|2,0,0]=3 198 B9R1.15 O=CC1=C(Cl)C=CN=C1 PI-37019 [1,0,0,0,0,0|2,0,0]=3 199 B9R1.15 O=CC1=CC=CC=C1I PI-27403 [1,0,0,0,0,0|1,0,0]=2 200 B9R1.15 O=Cc1ccccc1Cl PI-34387 [1,0,0,0,0,0|1,0,0]=2 201 B9R1.15 O=Cc1ccccc1F PI-27600 [1,0,0,0,0,0|1,0,0]=2 202 B9R1.15 O=Cc1cccnc1N PI-15940 [1,0,0,0,0,0|2,0,0]=3 203 B9R1.15 O=Cc1cnccc1Br PI-36813 [1,0,0,0,0,0|2,0,0]=3 204 B9R1.15 OCc1ccccc1F PI-28537 [1,0,0,0,0,0|1,0,2]=4 205 B9R1.15 OCc1ccccc1O PI-36548 [1,0,0,0,0,0|0,0,2]=3 206 B9R1.15 SCc1ccccc1F PI-23494 [1,0,0,0,0,0|1,1,1]=4 207 B9R1.15 [C-]#[N+]c1ccccc1Br PI-22495 [1,0,0,0,0,0|3,0,0]=4 208 B11R1.53 B(C1=CC=CC=C1CO)(O)O PI-25935 [0,1,0,0,0,0|2,0,1]=4 209 B11R1.53 BrCc1ccccc1[N+](=O)[O-] PI-12707 [0,1,0,0,0,0|3,0,0]=4 210 B11R1.53 C#CC1=CC=CC=C1C(=O)O PI-46516 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.53 C#Cc1ccccc1[N+](=O)[O-] PI-38879 [0,1,0,0,0,0|3,0,0]=4 212 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)N PI-30209 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.53 C1=CC=C(C(=C1)C#N)C(=O)O PI-10222 [0,1,0,0,0,0|2,0,0]=3 214 B11R1.53 C1=CC=C(C(=C1)CCl)C(=O)Cl PI-46932 [0,1,0,0,0,0|2,0,0]=3 215 B11R1.53 C1=CC=C(C(=C1)CN)[N+](=O)[O-] PI-26345 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.53 C1=CC=C(C(=C1)NN)[N+](=O)[O-] PI-29797 [0,1,0,0,0,0|3,0,0]=4 217 B11R1.53 C1=CC=C(C(=C1)NN)[N+](=O)[O-] PI-50514 [0,1,0,0,0,0|3,0,0]=4 218 B11R1.53 C1=CC=CC(=C1CCl)C(O)=O PI-32625 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.53 CC(=O)C1=CC=CC=C1C#N PI-30977 [0,1,0,0,0,0|2,0,0]=3 220 B11R1.53 CNC1=CC=CC=C1C(=O)N PI-30904 [0,1,0,0,0,0|1,0,0]=2 221 B11R1.53 CNC1=CC=CC=C1C(=O)O PI-50482 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.53 COC1=C(C=CC=N1)[N+](=O)[O-] PI-40023 [0,1,0,0,0,0|3,0,0]=4 223 B11R1.53 COC1=C(C=CN=C1)C(=O)O PI-28728 [0,1,0,0,0,0|2,0,0]=3 224 B11R1.53 COC1=C(C=NC=C1)[N+](=O)[O-] PI-24318 [0,1,0,0,0,0|3,0,0]=4 225 B11R1.53 COC1=C(C=NC=C1)[N+](=O)[O-] PI-29475 [0,1,0,0,0,0|3,0,0]=4 226 B11R1.53 COC1=C(N=CC=C1)[N+](=O)[O-] PI-16711 [0,1,0,0,0,0|3,0,0]=4 227 B11R1.53 COC1=CC=CC=C1C(=O)N PI-30368 [0,1,0,0,0,0|0,0,0]=1 228 B11R1.53 COC1=NC=NC=C1C(=O)O PI-45147 [0,1,0,0,0,0|3,0,0]=4 229 B11R1.53 COc1ccccc1C(=O)C PI-12757 [0,1,0,0,0,0|1,0,0]=2 230 B11R1.53 COc1ccccc1C(=O)Cl PI-11858 [0,1,0,0,0,0|1,0,0]=2 231 B11R1.53 COc1ncccc1C(=O)O PI-16704 [0,1,0,0,0,0|2,0,0]=3 232 B11R1.53 CSC1=C(C=CC=N1)C(=O)Cl PI-30995 [0,1,0,0,0,0|2,1,0]=4 233 B11R1.53 CSC1=CC=CC=C1[N+](=O)[O-] PI-11877 [0,1,0,0,0,0|2,1,0]=4 234 B11R1.53 N#Cc1ccccc1[N+](=O)[O-] PI-11875 [0,1,0,0,0,0|3,0,0]=4 235 B11R1.53 NNc1ccccc1C(=O)O PI-18621 [0,1,0,0,0,0|2,0,0]=3 236 B11R1.53 NNc1ccccc1[N+](=O)[O-] PI-25422 [0,1,0,0,0,0|3,0,0]=4 237 B11R1.53 O=Cc1ccccc1C(=O)O PI-36784 [0,1,0,0,0,0|1,0,1]=3 238 B11R1.53 O=Cc1ccccc1[N+](=O)[O-] PI-28637 [0,1,0,0,0,0|2,0,1]=4 239 B11R1.53 OCc1ccccc1[N+](=O)[O-] PI-11876 [0,1,0,0,0,0|2,0,0]=3 240 B11R1.87 Brc1ccccc1S(=O)(=O)Cl PI-14385 [0,1,0,0,0,0|3,0,0]=4 241 B11R1.87 C1=CC=C(C(=C1)C(F)(F)F)O PI-16970 [0,1,0,0,0,0|2,0,1]=4 242 B11R1.87 C1=CC=C(C(=C1)F)S(=O)(=O)Cl PI-23452 [0,1,0,0,0,0|3,0,0]=4 243 B11R1.87 C1=CC=C(C(=C1)F)S(=O)(=O)N PI-23446 [0,1,0,0,0,0|2,0,0]=3 244 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)Cl)Cl PI-15668 [0,1,0,0,0,0|3,0,0]=4 245 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)N)Cl PI-23132 [0,1,0,0,0,0|2,0,0]=3 246 B11R1.87 C1=CC=C(C(=C1)S(=O)(=O)O)I PI-48829 [0,1,0,0,0,0|3,0,0]=4 247 B11R1.87 CC1=CC=CC=C1S(=O)(=O)Cl PI-50626 [0,1,0,0,0,0|3,0,0]=4 248 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 PI-42394 [0,1,0,0,0,0|3,0,0]=4 249 B11R1.87 C[Si](C)(C)C1=CC=CC=C1O PI-50096 [0,1,0,0,0,0|2,1,0]=4 250 B11R1.87 Clc1ccncc1S(=O)(=O)N PI-12776 [0,1,0,0,0,0|3,0,0]=4 251 B11R1.87 Ic1ccccc1S(=O)(=O)Cl PI-36530 [0,1,0,0,0,0|3,0,0]=4 252 B11R1.87 Nc1ccccc1S(=O)(=O)N PI-30481 [0,1,0,0,0,0|2,0,0]=3 253 B11R1.87 O=S(C1=CC=CC=C1Br)(N)=O PI-14384 [0,1,0,0,0,0|2,0,0]=3 254 B11R1.156 C1=C(C(=C(C=N1)Cl)C(=O)O)Cl PI-21048 [0,1,0,0,0,0|3,0,0]=4 255 B11R1.156 C1=CC(=C(C(=C1)Br)C(=O)O)N PI-36015 [0,1,0,0,0,0|2,0,0]=3 256 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl PI-11762 [0,1,0,0,0,0|2,0,0]=3 257 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)Cl)F PI-30935 [0,1,0,0,0,0|2,0,0]=3 258 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)Cl PI-33780 [0,1,0,0,0,0|1,0,0]=2 259 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)N)F PI-28735 [0,1,0,0,0,0|1,0,0]=2 260 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)F PI-16105 [0,1,0,0,0,0|2,0,0]=3 261 B11R1.156 C1=CC(=C(C(=C1)Cl)C(=O)O)N PI-10860 [0,1,0,0,0,0|2,0,0]=3 262 B11R1.156 C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])F PI-10480 [0,1,0,0,0,0|3,0,0]=4 263 B11R1.156 C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])N PI-29729 [0,1,0,0,0,0|3,0,0]=4 264 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)Cl)F PI-32221 [0,1,0,0,0,0|2,0,0]=3 265 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)F PI-16897 [0,1,0,0,0,0|1,0,0]=2 266 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)N)N PI-15919 [0,1,0,0,0,0|1,0,0]=2 267 B11R1.156 C1=CC(=C(C(=C1)F)C(=O)O)O PI-34340 [0,1,0,0,0,0|1,0,0]=2 268 B11R1.156 C1=CC(=C(C(=C1)F)[N+](=O)[O-])F PI-10466 [0,1,0,0,0,0|3,0,0]=4 269 B11R1.156 C1=CC(=C(C(=C1)F)[N+](=O)[O-])O PI-29536 [0,1,0,0,0,0|2,0,0]=3 270 B11R1.156 C1=CC(=C(C(=C1)I)C(=O)O)F PI-34284 [0,1,0,0,0,0|2,0,0]=3 271 B11R1.156 C1=CC(=C(C(=C1)O)C(=O)N)O PI-30464 [0,1,0,0,0,0|0,0,0]=1 272 B11R1.156 C1=CC(=C(C(=C1)O)[N+](=O)[O-])O PI-16193 [0,1,0,0,0,0|2,0,0]=3 273 B11R1.156 CC(=O)c1c(Cl)cccc1Cl PI-20998 [0,1,0,0,0,0|2,0,0]=3 274 B11R1.156 CC(=O)c1c(F)cccc1Cl PI-20054 [0,1,0,0,0,0|2,0,0]=3 275 B11R1.156 CC(=O)c1c(F)cccc1F PI-31057 [0,1,0,0,0,0|2,0,0]=3 276 B11R1.156 CC(=O)c1c(O)cccc1O PI-11029 [0,1,0,0,0,0|1,0,0]=2 277 B11R1.156 CC1=C(C(=CC=C1)Br)[N+](=O)[O-] PI-22211 [0,1,0,0,0,0|3,0,0]=4 278 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)C PI-30312 [0,1,0,0,0,0|2,0,0]=3 279 B11R1.156 CC1=C(C(=CC=C1)C)C(=O)O PI-27811 [0,1,0,0,0,0|2,0,0]=3 280 B11R1.156 CC1=C(C(=CC=C1)Cl)C(=O)N PI-30032 [0,1,0,0,0,0|1,0,0]=2 281 B11R1.156 CC1=C(C(=CC=C1)Cl)[N+](=O)[O-] PI-28920 [0,1,0,0,0,0|3,0,0]=4 282 B11R1.156 CC1=C(C(=CC=C1)N)[N+](=O)[O-] PI-32623 [0,1,0,0,0,0|3,0,0]=4 283 B11R1.156 ClC(=O)c1c(Cl)cccc1Br PI-20619 [0,1,0,0,0,0|2,0,0]=3 284 B11R1.156 O=C(C1=C(F)C=NC=C1F)O PI-39693 [0,1,0,0,0,0|3,0,0]=4 285 B11R1.156 OC(=O)c1c(C)cccc1Cl PI-11820 [0,1,0,0,0,0|2,0,0]=3 286 B11R1.156 OC(=O)c1c(C)cccc1F PI-10193 [0,1,0,0,0,0|2,0,0]=3 287 B11R1.156 OC(=O)c1c(C)cccc1N PI-18553 [0,1,0,0,0,0|2,0,0]=3 288 B11R1.156 OC(=O)c1c(Cl)cccc1Br PI-20612 [0,1,0,0,0,0|2,0,0]=3 289 B11R1.156 OC(=O)c1c(Cl)cccc1Cl PI-14298 [0,1,0,0,0,0|2,0,0]=3 290 B11R1.156 OC(=O)c1c(F)cccc1Br PI-10187 [0,1,0,0,0,0|2,0,0]=3 291 B11R1.156 OC(=O)c1c(F)cccc1F PI-31178 [0,1,0,0,0,0|2,0,0]=3 292 B11R1.156 OC(=O)c1c(N)cccc1F PI-16068 [0,1,0,0,0,0|2,0,0]=3 293 B11R1.156 OC(=O)c1c(N)cccc1I PI-36088 [0,1,0,0,0,0|2,0,0]=3 294 B11R1.156 OC(=O)c1c(O)cccc1O PI-32768 [0,1,0,0,0,0|1,0,0]=2 295 B11R1.156 [O-][N+](=O)c1c(C)cccc1F PI-38283 [0,1,0,0,0,0|3,0,0]=4 296 B11R1.156 [O-][N+](=O)c1c(C)cccc1O PI-28579 [0,1,0,0,0,0|2,0,0]=3 297 B11R1.156 [O-][N+](=O)c1c(N)cccc1Br PI-29872 [0,1,0,0,0,0|3,0,0]=4 298 B11R1.159 C1=CC(=C(C(=C1)Br)Cl)[N+](=O)[O-] PI-50751 [0,1,0,0,0,0|3,0,0]=4 299 B11R1.159 C1=CC(=C(C(=C1)Br)N)C(=O)O PI-27326 [0,1,0,0,0,0|2,0,0]=3 300 B11R1.159 C1=CC(=C(C(=C1)Br)N)[N+](=O)[O-] PI-50063 [0,1,0,0,0,0|3,0,0]=4 301 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=O)Cl PI-11727 [0,1,0,0,0,0|2,0,0]=3 302 B11R1.159 C1=CC(=C(C(=C1)Cl)Cl)C(=S)N PI-30957 [0,1,0,0,0,0|1,1,0]=3 303 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)Cl PI-20070 [0,1,0,0,0,0|2,0,0]=3 304 B11R1.159 C1=CC(=C(C(=C1)Cl)F)C(=O)O PI-16070 [0,1,0,0,0,0|2,0,0]=3 305 B11R1.159 C1=CC(=C(C(=C1)Cl)F)[N+](=O)[O-] PI-20103 [0,1,0,0,0,0|3,0,0]=4 306 B11R1.159 C1=CC(=C(C(=C1)Cl)N)[N+](=O)[O-] PI-29914 [0,1,0,0,0,0|3,0,0]=4 307 B11R1.159 C1=CC(=C(C(=C1)Cl)O)[N+](=O)[O-] PI-28675 [0,1,0,0,0,0|2,0,0]=3 308 B11R1.159 C1=CC(=C(C(=C1)F)Cl)C(=O)O PI-18055 [0,1,0,0,0,0|2,0,0]=3 309 B11R1.159 C1=CC(=C(C(=C1)F)Cl)[N+](=O)[O-] PI-28271 [0,1,0,0,0,0|3,0,0]=4 310 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)Cl PI-21145 [0,1,0,0,0,0|2,0,0]=3 311 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)N PI-21125 [0,1,0,0,0,0|1,0,0]=2 312 B11R1.159 C1=CC(=C(C(=C1)F)F)C(=O)O PI-10290 [0,1,0,0,0,0|2,0,0]=3 313 B11R1.159 C1=CC(=C(C(=C1)F)F)[N+](=O)[O-] PI-28760 [0,1,0,0,0,0|3,0,0]=4 314 B11R1.159 C1=CC(=C(C(=C1)F)I)[N+](=O)[O-] PI-10726 [0,1,0,0,0,0|3,0,0]=4 315 B11R1.159 C1=CC(=C(C(=C1)F)N)C(=O)O PI-10452 [0,1,0,0,0,0|2,0,0]=3 316 B11R1.159 C1=CC(=C(C(=C1)F)O)[N+](=O)[O-] PI-28174 [0,1,0,0,0,0|2,0,0]=3 317 B11R1.159 C1=CC(=C(C(=C1)N)F)C(=O)O PI-34457 [0,1,0,0,0,0|2,0,0]=3 318 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)N PI-48121 [0,1,0,0,0,0|1,0,0]=2 319 B11R1.159 C1=CC(=C(C(=C1)N)N)C(=O)O PI-39985 [0,1,0,0,0,0|2,0,0]=3 320 B11R1.159 C1=CC(=C(C(=C1)N)O)C(=O)O PI-14096 [0,1,0,0,0,0|1,0,0]=2 321 B11R1.159 C1=CC(=C(C(=C1)O)Cl)[N+](=O)[O-] PI-34746 [0,1,0,0,0,0|3,0,0]=4 322 B11R1.159 C1=CC(=C(C(=C1)O)F)[N+](=O)[O-] PI-34808 [0,1,0,0,0,0|3,0,0]=4 323 B11R1.159 C1=CC(=C(C(=C1)O)N)[N+](=O)[O-] PI-11463 [0,1,0,0,0,0|3,0,0]=4 324 B11R1.159 C1=CC(=C(C(=C1)O)O)C(=O)O PI-16110 [0,1,0,0,0,0|1,0,0]=2 325 B11R1.159 CC(=O)C1=C(C(=CC=C1)Cl)Cl PI-20997 [0,1,0,0,0,0|2,0,0]=3 326 B11R1.159 CC(=O)C1=C(C(=CC=C1)N)O PI-10229 [0,1,0,0,0,0|1,0,0]=2 327 B11R1.159 CC(=O)C1=C(C(=CC=C1)O)O PI-30124 [0,1,0,0,0,0|1,0,0]=2 328 B11R1.159 CC(=O)c1cccc(Br)c1F PI-34270 [0,1,0,0,0,0|2,0,0]=3 329 B11R1.159 CC(=O)c1cccc(c1F)F PI-21122 [0,1,0,0,0,0|2,0,0]=3 330 B11R1.159 CC(=O)c1cccc(c1O)N PI-39350 [0,1,0,0,0,0|1,0,0]=2 331 B11R1.159 CC(C1=CC=CC(Br)=C1O)=O PI-41897 [0,1,0,0,0,0|1,0,0]=2 332 B11R1.159 CC(C1=CC=CC(Cl)=C1O)=O PI-29482 [0,1,0,0,0,0|1,0,0]=2 333 B11R1.159 CC1=C(C(=CC=C1)C(=O)C)C PI-30311 [0,1,0,0,0,0|2,0,0]=3 334 B11R1.159 CC1=C(C(=CC=C1)C(=O)Cl)C PI-21939 [0,1,0,0,0,0|2,0,0]=3 335 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)C PI-27770 [0,1,0,0,0,0|2,0,0]=3 336 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)Cl PI-31520 [0,1,0,0,0,0|2,0,0]=3 337 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)F PI-10191 [0,1,0,0,0,0|2,0,0]=3 338 B11R1.159 CC1=C(C(=CC=C1)C(=O)O)N PI-10074 [0,1,0,0,0,0|2,0,0]=3 339 B11R1.159 CC1=C(C(=CC=C1)[N+](=O)[O-])O PI-28104 [0,1,0,0,0,0|2,0,0]=3 340 B11R1.159 CC1=C(C=CC=C1Br)C(=O)O PI-22125 [0,1,0,0,0,0|2,0,0]=3 341 B11R1.159 CC1=C(C=CC=C1Br)[N+](=O)[O-] PI-26737 [0,1,0,0,0,0|3,0,0]=4 342 B11R1.159 CC1=C(C=CC=C1Cl)[N+](=O)[O-] PI-34382 [0,1,0,0,0,0|3,0,0]=4 343 B11R1.159 CC1=C(C=CC=C1O)C(=O)O PI-11926 [0,1,0,0,0,0|2,0,0]=3 344 B11R1.159 CC1=C(C=CC=C1O)[N+](=O)[O-] PI-31225 [0,1,0,0,0,0|3,0,0]=4 345 B11R1.159 CC1=C(C=CC=C1[N+](=O)[O-])N PI-31240 [0,1,0,0,0,0|3,0,0]=4 346 B11R1.159 ClC(=O)c1cccc(c1C)Br PI-39385 [0,1,0,0,0,0|2,0,0]=3 347 B11R1.159 ClC1=NC=CC(=C1F)C(=O)O PI-34444 [0,1,0,0,0,0|3,0,0]=4 348 B11R1.159 NC(=O)c1cccc(c1F)Cl PI-30045 [0,1,0,0,0,0|1,0,0]=2 349 B11R1.159 O=C(N)C1=CC=CC(C)=C1C PI-30715 [0,1,0,0,0,0|1,0,0]=2 350 B11R1.159 O=C(O)C1=CC=CC(N)=C1C PI-16107 [0,1,0,0,0,0|2,0,0]=3 351 B11R1.159 O=C(O)C1=CC=NC(Br)=C1F PI-39723 [0,1,0,0,0,0|3,0,0]=4 352 B11R1.159 OC(=O)c1cccc(C)c1Br PI-22122 [0,1,0,0,0,0|2,0,0]=3 353 B11R1.159 OC(=O)c1cccc(Cl)c1N PI-10209 [0,1,0,0,0,0|2,0,0]=3 354 B11R1.159 OC(=O)c1cccc(F)c1C PI-10192 [0,1,0,0,0,0|2,0,0]=3 355 B11R1.159 OC(=O)c1cccc(I)c1N PI-35980 [0,1,0,0,0,0|2,0,0]=3 356 B11R1.159 OC(=O)c1cccc(O)c1N PI-30706 [0,1,0,0,0,0|2,0,0]=3 357 B11R1.159 OC(=O)c1cccc(c1Br)F PI-10189 [0,1,0,0,0,0|2,0,0]=3 358 B11R1.159 OC(=O)c1cccc(c1F)Br PI-10188 [0,1,0,0,0,0|2,0,0]=3 359 B11R1.159 OC(=O)c1cccc(c1O)F PI-23590 [0,1,0,0,0,0|1,0,0]=2 360 B11R1.159 OC(=O)c1ccnc(c1N)Cl PI-38953 [0,1,0,0,0,0|3,0,0]=4 361 B11R1.159 [O-][N+](=O)c1cccc(C)c1F PI-10679 [0,1,0,0,0,0|3,0,0]=4 362 B11R1.159 [O-][N+](=O)c1cccc(F)c1C PI-32534 [0,1,0,0,0,0|3,0,0]=4 363 B11R1.159 [O-][N+](=O)c1cccc(F)c1N PI-29258 [0,1,0,0,0,0|3,0,0]=4 364 B11R1.159 [O-][N+](=O)c1cccc(O)c1Br PI-33349 [0,1,0,0,0,0|3,0,0]=4 365 B11R1.159 [O-][N+](=O)c1cccc(c1Br)C PI-26622 [0,1,0,0,0,0|3,0,0]=4 366 B11R1.159 [O-][N+](=O)c1cccc(c1Br)F PI-10720 [0,1,0,0,0,0|3,0,0]=4 367 B11R1.159 [O-][N+](=O)c1cccc(c1Cl)C PI-27556 [0,1,0,0,0,0|3,0,0]=4 368 B11R1.159 [O-][N+](=O)c1cccc(c1F)Br PI-35228 [0,1,0,0,0,0|3,0,0]=4 369 B11R1.159 [O-][N+](=O)c1cccc(c1N)C PI-27717 [0,1,0,0,0,0|3,0,0]=4 370 B11R1.159 [O-][N+](=O)c1cccc(c1N)N PI-30539 [0,1,0,0,0,0|3,0,0]=4 371 B11R1.159 [O-][N+](=O)c1cccc(c1O)Br PI-27135 [0,1,0,0,0,0|2,0,0]=3 372 B11R1.166 Brc1ccc(C(=O)C)c(F)c1 PI-30799 [0,1,0,0,0,0|2,0,0]=3 373 B11R1.166 Brc1ccc(C(=O)O)c(F)c1 PI-16060 [0,1,0,0,0,0|2,0,0]=3 374 B11R1.166 Brc1ccc([N+](=O)[O-])c(F)c1 PI-10417 [0,1,0,0,0,0|3,0,0]=4 375 B11R1.166 Brc1ccc(c(c1)N)[N+](=O)[O-] PI-39432 [0,1,0,0,0,0|3,0,0]=4 376 B11R1.166 C1=C(C(=NC(=N1)Cl)Cl)C(=O)N PI-40260 [0,1,0,0,0,0|3,0,0]=4 377 B11R1.166 C1=CC(=C(C=C1Br)Cl)C(=O)O PI-28671 [0,1,0,0,0,0|2,0,0]=3 378 B11R1.166 C1=CC(=C(C=C1Br)N)C(=O)O PI-18326 [0,1,0,0,0,0|2,0,0]=3 379 B11R1.166 C1=CC(=C(C=C1Br)O)C(=O)O PI-21374 [0,1,0,0,0,0|1,0,0]=2 380 B11R1.166 C1=CC(=C(C=C1Cl)Cl)C(=O)N PI-30371 [0,1,0,0,0,0|1,0,0]=2 381 B11R1.166 C1=CC(=C(C=C1Cl)F)C(=O)Cl PI-11845 [0,1,0,0,0,0|2,0,0]=3 382 B11R1.166 C1=CC(=C(C=C1Cl)N)C(=O)N PI-35500 [0,1,0,0,0,0|1,0,0]=2 383 B11R1.166 C1=CC(=C(C=C1Cl)N)[N+](=O)[O-] PI-11297 [0,1,0,0,0,0|3,0,0]=4 384 B11R1.166 C1=CC(=C(C=C1Cl)O)C(=O)O PI-33938 [0,1,0,0,0,0|1,0,0]=2 385 B11R1.166 C1=CC(=C(C=C1Cl)O)[N+](=O)[O-] PI-37794 [0,1,0,0,0,0|2,0,0]=3 386 B11R1.166 C1=CC(=C(C=C1F)Br)C(=O)O PI-16061 [0,1,0,0,0,0|2,0,0]=3 387 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)Cl PI-20069 [0,1,0,0,0,0|2,0,0]=3 388 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)N PI-20057 [0,1,0,0,0,0|1,0,0]=2 389 B11R1.166 C1=CC(=C(C=C1F)Cl)C(=O)O PI-16103 [0,1,0,0,0,0|2,0,0]=3 390 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)Cl PI-14894 [0,1,0,0,0,0|2,0,0]=3 391 B11R1.166 C1=CC(=C(C=C1F)F)C(=O)N PI-31316 [0,1,0,0,0,0|1,0,0]=2 392 B11R1.166 C1=CC(=C(C=C1F)I)C(=O)O PI-34280 [0,1,0,0,0,0|2,0,0]=3 393 B11R1.166 C1=CC(=C(C=C1F)O)[N+](=O)[O-] PI-16979 [0,1,0,0,0,0|2,0,0]=3 394 B11R1.166 C1=CC(=C(C=C1N)Cl)C(=O)O PI-10541 [0,1,0,0,0,0|2,0,0]=3 395 B11R1.166 C1=CC(=C(C=C1N)Cl)[N+](=O)[O-] PI-26933 [0,1,0,0,0,0|3,0,0]=4 396 B11R1.166 C1=CC(=C(C=C1N)F)C(=O)O PI-27599 [0,1,0,0,0,0|2,0,0]=3 397 B11R1.166 C1=CC(=C(C=C1O)Cl)[N+](=O)[O-] PI-35943 [0,1,0,0,0,0|3,0,0]=4 398 B11R1.166 C1=CC(=C(C=C1O)F)C(=O)O PI-28723 [0,1,0,0,0,0|2,0,0]=3 399 B11R1.166 C1=CC(=CC(=C1C(O)=O)Br)Br PI-41212 [0,1,0,0,0,0|2,0,0]=3 400 B11R1.166 CC(=O)C1=C(C=C(C=C1)Br)O PI-43291 [0,1,0,0,0,0|1,0,0]=2 401 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Br PI-20599 [0,1,0,0,0,0|2,0,0]=3 402 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)Cl PI-33128 [0,1,0,0,0,0|2,0,0]=3 403 B11R1.166 CC(=O)C1=C(C=C(C=C1)Cl)O PI-30853 [0,1,0,0,0,0|1,0,0]=2 404 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Br PI-14425 [0,1,0,0,0,0|2,0,0]=3 405 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)Cl PI-28768 [0,1,0,0,0,0|2,0,0]=3 406 B11R1.166 CC(=O)C1=C(C=C(C=C1)F)F PI-16939 [0,1,0,0,0,0|2,0,0]=3 407 B11R1.166 CC(=O)C1=C(C=C(C=C1)N)O PI-42987 [0,1,0,0,0,0|1,0,0]=2 408 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)Cl PI-12994 [0,1,0,0,0,0|2,0,0]=3 409 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)F PI-16148 [0,1,0,0,0,0|2,0,0]=3 410 B11R1.166 CC(=O)C1=C(C=C(C=C1)O)N PI-30973 [0,1,0,0,0,0|2,0,0]=3 411 B11R1.166 CC(C1=CC=C(F)C=C1O)=O PI-23585 [0,1,0,0,0,0|1,0,0]=2 412 B11R1.166 CC(N)C1=CC=C(Cl)C=C1Cl PI-41295 [0,1,0,0,0,0|2,0,1]=4 413 B11R1.166 CC1=C(C=CC(=C1)Br)C(=O)Cl PI-39384 [0,1,0,0,0,0|2,0,0]=3 414 B11R1.166 CC1=C(C=CC(=C1)Cl)[N+](=O)[O-] PI-26718 [0,1,0,0,0,0|3,0,0]=4 415 B11R1.166 CC1=C(C=CC(=C1)F)C(=O)O PI-10190 [0,1,0,0,0,0|2,0,0]=3 416 B11R1.166 CC1=C(C=CC(=C1)N)[N+](=O)[O-] PI-26795 [0,1,0,0,0,0|3,0,0]=4 417 B11R1.166 CC1=C(C=CC(=C1)O)C(=O)C PI-12264 [0,1,0,0,0,0|2,0,0]=3 418 B11R1.166 CC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-12007 [0,1,0,0,0,0|3,0,0]=4 419 B11R1.166 CC1=CC(=C(C=C1)C(=O)C)C PI-11718 [0,1,0,0,0,0|2,0,0]=3 420 B11R1.166 CC1=CC(=C(C=C1)C(=O)N)O PI-28583 [0,1,0,0,0,0|0,0,0]=1 421 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)C PI-16114 [0,1,0,0,0,0|2,0,0]=3 422 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)F PI-18894 [0,1,0,0,0,0|2,0,0]=3 423 B11R1.166 CC1=CC(=C(C=C1)C(=O)O)O PI-15312 [0,1,0,0,0,0|1,0,0]=2 424 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])Cl PI-16550 [0,1,0,0,0,0|3,0,0]=4 425 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])F PI-10269 [0,1,0,0,0,0|3,0,0]=4 426 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])I PI-19675 [0,1,0,0,0,0|3,0,0]=4 427 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])N PI-26762 [0,1,0,0,0,0|3,0,0]=4 428 B11R1.166 CC1=CC(=C(C=C1)[N+](=O)[O-])O PI-28770 [0,1,0,0,0,0|2,0,0]=3 429 B11R1.166 CC1=CC(=O)C(=CN1)C(=O)O PI-13132 [0,1,0,0,0,0|2,0,1]=4 430 B11R1.166 CC1=CC=C(C(=O)N1)C(=O)O PI-18513 [0,1,0,0,0,0|2,0,1]=4 431 B11R1.166 Cc1ccc(C(=O)O)c(Cl)n1 PI-16720 [0,1,0,0,0,0|3,0,0]=4 432 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O PI-22123 [0,1,0,0,0,0|2,0,0]=3 433 B11R1.166 Cc1ccc(c(c1)N)C(=O)N PI-30565 [0,1,0,0,0,0|1,0,0]=2 434 B11R1.166 Cc1ccc(c(c1)N)C(=O)O PI-34285 [0,1,0,0,0,0|2,0,0]=3 435 B11R1.166 Cc1ccc(c(c1)O)C(=O)C PI-29847 [0,1,0,0,0,0|1,0,0]=2 436 B11R1.166 ClC1=C(C(=O)O)C=CC(=N1)Cl PI-31177 [0,1,0,0,0,0|3,0,0]=4 437 B11R1.166 Clc1ccc(C(=O)O)c(F)c1 PI-16109 [0,1,0,0,0,0|2,0,0]=3 438 B11R1.166 Clc1ccc(C(=O)O)c(N)c1 PI-14296 [0,1,0,0,0,0|2,0,0]=3 439 B11R1.166 Clc1ccc(C(=S)N)c(Cl)c1 PI-30416 [0,1,0,0,0,0|1,1,0]=3 440 B11R1.166 Clc1ccc(c(c1)Br)C(=O)O PI-20610 [0,1,0,0,0,0|2,0,0]=3 441 B11R1.166 Clc1ccc(c(c1)F)[N+](=O)[O-] PI-28769 [0,1,0,0,0,0|3,0,0]=4 442 B11R1.166 Clc1cnc(c(c1)Cl)C(=O)O PI-16047 [0,1,0,0,0,0|3,0,0]=4 443 B11R1.166 Fc1ccc(C(=O)O)c(F)c1 PI-10195 [0,1,0,0,0,0|2,0,0]=3 444 B11R1.166 Fc1ccc(C(=O)O)c(N)c1 PI-16067 [0,1,0,0,0,0|2,0,0]=3 445 B11R1.166 Fc1ccc(C(=O)O)c(O)c1 PI-34804 [0,1,0,0,0,0|1,0,0]=2 446 B11R1.166 Fc1ccc([N+](=O)[O-])c(Br)c1 PI-34343 [0,1,0,0,0,0|3,0,0]=4 447 B11R1.166 Fc1ccc(c(c1)C)[N+](=O)[O-] PI-16978 [0,1,0,0,0,0|3,0,0]=4 448 B11R1.166 Fc1ccc(c(c1)Cl)[N+](=O)[O-] PI-10433 [0,1,0,0,0,0|3,0,0]=4 449 B11R1.166 Fc1ccc(c(c1)F)[N+](=O)[O-] PI-15216 [0,1,0,0,0,0|3,0,0]=4 450 B11R1.166 Fc1cnc(c(c1)F)C(=O)O PI-38255 [0,1,0,0,0,0|3,0,0]=4 451 B11R1.166 Ic1ccc(C(=O)O)c(N)c1 PI-35979 [0,1,0,0,0,0|2,0,0]=3 452 B11R1.166 Ic1ccc(c(c1)O)C(=O)C PI-30931 [0,1,0,0,0,0|1,0,0]=2 453 B11R1.166 Nc1ccc(c(c1)C)C(=O)O PI-38300 [0,1,0,0,0,0|2,0,0]=3 454 B11R1.166 Nc1ccc(c(c1)F)[N+](=O)[O-] PI-29376 [0,1,0,0,0,0|3,0,0]=4 455 B11R1.166 Nc1ccc(c(c1)N)[N+](=O)[O-] PI-11302 [0,1,0,0,0,0|3,0,0]=4 456 B11R1.166 O=C(C1=NC=C(Cl)N=C1Cl)N PI-46710 [0,1,0,0,0,0|3,0,0]=4 457 B11R1.166 O=C(O)C1=C(C)N=C(C)C=C1 PI-37311 [0,1,0,0,0,0|3,0,0]=4 458 B11R1.166 O=C(O)C1=CC=C(Br)C=C1I PI-41942 [0,1,0,0,0,0|2,0,0]=3 459 B11R1.166 OC(=O)c1cnc(cc1Cl)Cl PI-38189 [0,1,0,0,0,0|3,0,0]=4 460 B11R1.166 OC1=CC=C(C(C)C)C(O)=C1 PI-40893 [0,1,0,0,0,0|2,0,1]=4 461 B11R1.166 Oc1ccc(C(=O)C)c(O)c1 PI-15410 [0,1,0,0,0,0|1,0,0]=2 462 B11R1.166 Oc1ccc(C(=O)O)c(Cl)c1 PI-18689 [0,1,0,0,0,0|2,0,0]=3 463 B11R1.166 Oc1ccc(c(c1)F)[N+](=O)[O-] PI-16955 [0,1,0,0,0,0|3,0,0]=4 464 B11R1.166 Oc1ccc(c(c1)O)C(=O)N PI-10047 [0,1,0,0,0,0|0,0,0]=1 465 B11R1.167 Brc1ccc(Cl)c(c1)C(=O)Cl PI-20620 [0,1,0,0,0,0|2,0,0]=3 466 B11R1.167 Brc1ccc(I)c(c1)C(=O)O PI-21527 [0,1,0,0,0,0|2,0,0]=3 467 B11R1.167 Brc1ccc(c(c1)C(=O)Cl)C PI-39383 [0,1,0,0,0,0|2,0,0]=3 468 B11R1.167 Brc1ccc(c(c1)C(=O)O)Br PI-27786 [0,1,0,0,0,0|2,0,0]=3 469 B11R1.167 Brc1ccc(c(c1)C(=O)O)Cl PI-28277 [0,1,0,0,0,0|2,0,0]=3 470 B11R1.167 Brc1ccc(c(c1)C(=O)O)F PI-16059 [0,1,0,0,0,0|2,0,0]=3 471 B11R1.167 Brc1ccc(c(c1)[N+](=O)[O-])Cl PI-38903 [0,1,0,0,0,0|3,0,0]=4 472 B11R1.167 Brc1ccc(c(c1)[N+](=O)[O-])N PI-11964 [0,1,0,0,0,0|3,0,0]=4 473 B11R1.167 Brc1ccc(c(n1)[N+](=O)[O-])O PI-38967 [0,1,0,0,0,0|3,0,0]=4 474 B11R1.167 Brc1cnc(N)c(c1)C(=O)O PI-22190 [0,1,0,0,0,0|3,0,0]=4 475 B11R1.167 Brc1cnc(c(n1)C(=O)N)N PI-38833 [0,1,0,0,0,0|3,0,0]=4 476 B11R1.167 C1=C(C(=O)NC=C1Br)C(=O)O PI-12916 [0,1,0,0,0,0|2,0,1]=4 477 B11R1.167 C1=C(C(=O)NC=C1Cl)C(=O)O PI-30553 [0,1,0,0,0,0|2,0,1]=4 478 B11R1.167 C1=C(C=NC(=C1C(=O)O)Cl)Br PI-24300 [0,1,0,0,0,0|3,0,0]=4 479 B11R1.167 C1=C(Cl)C=CC(=C1C(N)=O)O PI-12030 [0,1,0,0,0,0|0,0,0]=1 480 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)N PI-16097 [0,1,0,0,0,0|2,0,0]=3 481 B11R1.167 C1=CC(=C(C=C1Br)C(=O)O)S PI-44100 [0,1,0,0,0,0|1,1,0]=3 482 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])Br PI-50761 [0,1,0,0,0,0|3,0,0]=4 483 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])F PI-16938 [0,1,0,0,0,0|3,0,0]=4 484 B11R1.167 C1=CC(=C(C=C1Br)[N+](=O)[O-])O PI-13653 [0,1,0,0,0,0|2,0,0]=3 485 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)Cl)F PI-28486 [0,1,0,0,0,0|2,0,0]=3 486 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)Cl PI-30757 [0,1,0,0,0,0|1,0,0]=2 487 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)N)N PI-30674 [0,1,0,0,0,0|1,0,0]=2 488 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Br PI-20611 [0,1,0,0,0,0|2,0,0]=3 489 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)Cl PI-16113 [0,1,0,0,0,0|2,0,0]=3 490 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)F PI-28487 [0,1,0,0,0,0|2,0,0]=3 491 B11R1.167 C1=CC(=C(C=C1Cl)C(=O)O)O PI-33939 [0,1,0,0,0,0|1,0,0]=2 492 B11R1.167 C1=CC(=C(C=C1Cl)[N+](=O)[O-])F PI-20104 [0,1,0,0,0,0|3,0,0]=4 493 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Br PI-28051 [0,1,0,0,0,0|2,0,0]=3 494 B11R1.167 C1=CC(=C(C=C1F)C(=O)Cl)Cl PI-34138 [0,1,0,0,0,0|2,0,0]=3 495 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)Cl PI-28878 [0,1,0,0,0,0|1,0,0]=2 496 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)F PI-21126 [0,1,0,0,0,0|1,0,0]=2 497 B11R1.167 C1=CC(=C(C=C1F)C(=O)N)N PI-31251 [0,1,0,0,0,0|1,0,0]=2 498 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)Br PI-16102 [0,1,0,0,0,0|2,0,0]=3 499 B11R1.167 C1=CC(=C(C=C1F)C(=O)O)O PI-28413 [0,1,0,0,0,0|1,0,0]=2 500 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])Br PI-10721 [0,1,0,0,0,0|3,0,0]=4 501 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])Cl PI-28414 [0,1,0,0,0,0|3,0,0]=4 502 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])I PI-10727 [0,1,0,0,0,0|3,0,0]=4 503 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])N PI-28444 [0,1,0,0,0,0|3,0,0]=4 504 B11R1.167 C1=CC(=C(C=C1F)[N+](=O)[O-])O PI-31180 [0,1,0,0,0,0|2,0,0]=3 505 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)Cl PI-44655 [0,1,0,0,0,0|2,0,0]=3 506 B11R1.167 C1=CC(=C(C=C1I)C(=O)O)F PI-18130 [0,1,0,0,0,0|2,0,0]=3 507 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)F PI-16066 [0,1,0,0,0,0|2,0,0]=3 508 B11R1.167 C1=CC(=C(C=C1N)C(=O)O)O PI-33946 [0,1,0,0,0,0|1,0,0]=2 509 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])Br PI-29667 [0,1,0,0,0,0|3,0,0]=4 510 B11R1.167 C1=CC(=C(C=C1N)[N+](=O)[O-])F PI-11983 [0,1,0,0,0,0|3,0,0]=4 511 B11R1.167 C1=CC(=C(C=C1O)[N+](=O)[O-])Cl PI-29756 [0,1,0,0,0,0|3,0,0]=4 512 B11R1.167 C1=CC(=C(C=C1O)[N+](=O)[O-])I PI-29638 [0,1,0,0,0,0|3,0,0]=4 513 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)F PI-40483 [0,1,0,0,0,0|2,0,0]=3 514 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)N PI-50076 [0,1,0,0,0,0|2,0,0]=3 515 B11R1.167 CC(=O)C1=C(C=CC(=C1)Br)O PI-15407 [0,1,0,0,0,0|1,0,0]=2 516 B11R1.167 CC(=O)C1=C(C=CC(=C1)Cl)O PI-11257 [0,1,0,0,0,0|1,0,0]=2 517 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)F PI-28256 [0,1,0,0,0,0|2,0,0]=3 518 B11R1.167 CC(=O)C1=C(C=CC(=C1)F)O PI-16161 [0,1,0,0,0,0|1,0,0]=2 519 B11R1.167 CC(=O)C1=C(C=CC(=C1)N)Cl PI-31000 [0,1,0,0,0,0|2,0,0]=3 520 B11R1.167 CC(=O)C1=C(N=CC(=C1)Br)F PI-48367 [0,1,0,0,0,0|3,0,0]=4 521 B11R1.167 CC(C1=CC(F)=CC=C1I)=O PI-41210 [0,1,0,0,0,0|2,0,0]=3 522 B11R1.167 CC(C1=CC(F)=CC=C1N)=O PI-46722 [0,1,0,0,0,0|2,0,0]=3 523 B11R1.167 CC1=C(C=C(C=C1)Br)C(=O)O PI-31513 [0,1,0,0,0,0|2,0,0]=3 524 B11R1.167 CC1=C(C=C(C=C1)Br)[N+](=O)[O-] PI-11598 [0,1,0,0,0,0|3,0,0]=4 525 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)Cl PI-23751 [0,1,0,0,0,0|2,0,0]=3 526 B11R1.167 CC1=C(C=C(C=C1)F)C(=O)N PI-23733 [0,1,0,0,0,0|1,0,0]=2 527 B11R1.167 CC1=C(C=C(C=C1)F)[N+](=O)[O-] PI-16977 [0,1,0,0,0,0|3,0,0]=4 528 B11R1.167 CC1=C(C=C(C=C1)I)C(=O)O PI-35497 [0,1,0,0,0,0|2,0,0]=3 529 B11R1.167 CC1=C(C=C(C=C1)I)[N+](=O)[O-] PI-26624 [0,1,0,0,0,0|3,0,0]=4 530 B11R1.167 CC1=C(C=C(C=C1)O)[N+](=O)[O-] PI-10544 [0,1,0,0,0,0|3,0,0]=4 531 B11R1.167 CC1=CC(=C(C=C1)Br)C(=O)O PI-22124 [0,1,0,0,0,0|2,0,0]=3 532 B11R1.167 CC1=CC(=C(C=C1)Br)[N+](=O)[O-] PI-22212 [0,1,0,0,0,0|3,0,0]=4 533 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)C PI-23365 [0,1,0,0,0,0|2,0,0]=3 534 B11R1.167 CC1=CC(=C(C=C1)C)C(=O)O PI-16116 [0,1,0,0,0,0|2,0,0]=3 535 B11R1.167 CC1=CC(=C(C=C1)C)[N+](=O)[O-] PI-13194 [0,1,0,0,0,0|3,0,0]=4 536 B11R1.167 CC1=CC(=C(C=C1)Cl)C(=O)O PI-44945 [0,1,0,0,0,0|2,0,0]=3 537 B11R1.167 CC1=CC(=C(C=C1)Cl)[N+](=O)[O-] PI-34332 [0,1,0,0,0,0|3,0,0]=4 538 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)C PI-30627 [0,1,0,0,0,0|2,0,0]=3 539 B11R1.167 CC1=CC(=C(C=C1)F)C(=O)O PI-10194 [0,1,0,0,0,0|2,0,0]=3 540 B11R1.167 CC1=CC(=C(C=C1)F)[N+](=O)[O-] PI-10423 [0,1,0,0,0,0|3,0,0]=4 541 B11R1.167 CC1=CC(=C(C=C1)I)C(=O)O PI-44708 [0,1,0,0,0,0|2,0,0]=3 542 B11R1.167 CC1=CC(=C(C=C1)N)C(=O)N PI-11516 [0,1,0,0,0,0|1,0,0]=2 543 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)C PI-16152 [0,1,0,0,0,0|1,0,0]=2 544 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)N PI-32434 [0,1,0,0,0,0|0,0,0]=1 545 B11R1.167 CC1=CC(=C(C=C1)O)C(=O)O PI-12037 [0,1,0,0,0,0|1,0,0]=2 546 B11R1.167 CC1=NC(=C(C=C1)O)[N+](=O)[O-] PI-24120 [0,1,0,0,0,0|3,0,0]=4 547 B11R1.167 Cc1ccc(c(c1)C(=O)O)I PI-44956 [0,1,0,0,0,0|2,0,0]=3 548 B11R1.167 Cc1ccc(c(c1)C(=O)O)N PI-11791 [0,1,0,0,0,0|2,0,0]=3 549 B11R1.167 Clc1ccc(N)c(c1)[N+](=O)[O-] PI-32440 [0,1,0,0,0,0|3,0,0]=4 550 B11R1.167 Clc1ccc(c(c1)B(O)O)O PI-39030 [0,1,0,0,0,0|2,0,1]=4 551 B11R1.167 Clc1ccc(c(c1)C(=O)C)Cl PI-11720 [0,1,0,0,0,0|2,0,0]=3 552 B11R1.167 Clc1ccc(c(c1)C(=O)Cl)Cl PI-12081 [0,1,0,0,0,0|2,0,0]=3 553 B11R1.167 Clc1ccc(c(c1)[N+](=O)[O-])C PI-31778 [0,1,0,0,0,0|3,0,0]=4 554 B11R1.167 Clc1ccc(c(n1)C(=O)O)C PI-39087 [0,1,0,0,0,0|3,0,0]=4 555 B11R1.167 Clc1ccc(c(n1)C(=O)O)Cl PI-16736 [0,1,0,0,0,0|3,0,0]=4 556 B11R1.167 Clc1ncc(c(c1)C(=O)O)Br PI-36973 [0,1,0,0,0,0|3,0,0]=4 557 B11R1.167 Clc1ncc(c(c1)C(=O)O)Cl PI-38193 [0,1,0,0,0,0|3,0,0]=4 558 B11R1.167 Fc1ccc(Cl)c(c1)C(=O)C PI-29442 [0,1,0,0,0,0|2,0,0]=3 559 B11R1.167 Fc1ccc(F)c(c1)C(=O)O PI-16919 [0,1,0,0,0,0|2,0,0]=3 560 B11R1.167 Fc1ccc(I)c(c1)C(=O)O PI-34282 [0,1,0,0,0,0|2,0,0]=3 561 B11R1.167 Fc1ccc(c(c1)C(=O)Cl)F PI-28434 [0,1,0,0,0,0|2,0,0]=3 562 B11R1.167 Fc1ccc(c(c1)C(=O)O)C PI-16069 [0,1,0,0,0,0|2,0,0]=3 563 B11R1.167 Fc1ccc(c(c1)C(=O)O)N PI-16065 [0,1,0,0,0,0|2,0,0]=3 564 B11R1.167 Fc1ccc(c(c1)[N+](=O)[O-])F PI-32232 [0,1,0,0,0,0|3,0,0]=4 565 B11R1.167 Fc1ncc(c(c1)C(=O)O)N PI-32204 [0,1,0,0,0,0|3,0,0]=4 566 B11R1.167 IC1=CC=C(Br)C([N+]([O-])=O)=C1 PI-46833 [0,1,0,0,0,0|3,0,0]=4 567 B11R1.167 Ic1ccc(N)c(c1)C(=O)O PI-16099 [0,1,0,0,0,0|2,0,0]=3 568 B11R1.167 Ic1ccc(c(c1)C(=O)O)Br PI-21526 [0,1,0,0,0,0|2,0,0]=3 569 B11R1.167 Ic1ccc(c(c1)[N+](=O)[O-])N PI-39062 [0,1,0,0,0,0|3,0,0]=4 570 B11R1.167 NC1=CC(C(O)=O)=C(N)C=C1 PI-31741 [0,1,0,0,0,0|2,0,0]=3 571 B11R1.167 NC1=CC=C(N)C=C1[N+]([O-])=O PI-37805 [0,1,0,0,0,0|3,0,0]=4 572 B11R1.167 Nc1ccc(O)cc1C(O)=O PI-10210 [0,1,0,0,0,0|2,0,0]=3 573 B11R1.167 Nc1ccc(c(c1)C(=O)O)Br PI-33365 [0,1,0,0,0,0|2,0,0]=3 574 B11R1.167 Nc1ccc(c(c1)C(=O)O)Cl PI-27966 [0,1,0,0,0,0|2,0,0]=3 575 B11R1.167 Nc1ccc(c(c1)[N+](=O)[O-])O PI-28082 [0,1,0,0,0,0|2,0,0]=3 576 B11R1.167 O=C(N)C1=CC(Br)=CC=C1O PI-30813 [0,1,0,0,0,0|0,0,0]=1 577 B11R1.167 O=C(O)C1=CC(F)=CC=C1Cl PI-16104 [0,1,0,0,0,0|2,0,0]=3 578 B11R1.167 O=C([O-])C1=CC(N)=CC=C1O PI-35671 [0,1,0,0,0,0|1,0,0]=2 579 B11R1.167 O=C([O-])C1=CC(O)=CC=C1O PI-12846 [0,1,0,0,0,0|1,0,0]=2 580 B11R1.167 OC1=CC=C(Br)C=C1C(C)C PI-37179 [0,1,0,0,0,0|2,0,1]=4 581 B11R1.167 Oc1ccc(O)c(c1)C(=O)C PI-31206 [0,1,0,0,0,0|1,0,0]=2 582 B11R1.167 Oc1ccc(c(c1)C(=O)O)F PI-23587 [0,1,0,0,0,0|2,0,0]=3 583 B11R1.167 Oc1ccc(c(c1)C(=O)O)O PI-12845 [0,1,0,0,0,0|1,0,0]=2 584 B11R1.167 Oc1ccc(c(c1)[N+](=O)[O-])F PI-13385 [0,1,0,0,0,0|3,0,0]=4 585 B11R1.167 Oc1ccc(c(c1)[N+](=O)[O-])N PI-31244 [0,1,0,0,0,0|3,0,0]=4 586 B11R1.222 BrCC(=O)c1ccccc1Br PI-31567 [0,1,0,0,0,0|2,0,0]=3 587 B11R1.222 BrCC(=O)c1ccccc1Cl PI-20199 [0,1,0,0,0,0|2,0,0]=3 588 B11R1.222 BrCC(=O)c1ccccc1F PI-17348 [0,1,0,0,0,0|2,0,0]=3 589 B11R1.222 BrCC(=O)c1ccccc1O PI-31566 [0,1,0,0,0,0|1,0,0]=2 590 B11R1.222 C1=CC(=C(N=C1)N)C(=O)NN PI-50253 [0,1,0,0,0,0|2,0,0]=3 591 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)Br PI-50495 [0,1,0,0,0,0|1,0,0]=2 592 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)F PI-23454 [0,1,0,0,0,0|1,0,0]=2 593 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)N PI-30252 [0,1,0,0,0,0|1,0,0]=2 594 B11R1.222 C1=CC=C(C(=C1)C(=O)NN)O PI-29980 [0,1,0,0,0,0|0,0,0]=1 595 B11R1.222 C1=CN=C(C(=N1)C(=O)NN)N PI-50451 [0,1,0,0,0,0|3,0,0]=4 596 B11R1.222 CC(=NO)C1=CC=CC=C1O PI-29083 [0,1,0,0,0,0|1,0,1]=3 597 B11R1.222 CC1=C(C=CC=N1)C(=O)OC PI-13128 [0,1,0,0,0,0|3,0,0]=4 598 B11R1.222 CC1=CC=CC=C1C(=O)CBr PI-31565 [0,1,0,0,0,0|2,0,0]=3 599 B11R1.222 CC1=CC=CC=C1C(=O)NN PI-24611 [0,1,0,0,0,0|1,0,0]=2 600 B11R1.222 CCC(=O)C1=CC=CC=C1F PI-16905 [0,1,0,0,0,0|2,0,0]=3 601 B11R1.222 CCC(=O)c1ccccc1O PI-15452 [0,1,0,0,0,0|1,0,0]=2 602 B11R1.222 COC(=O)C1=C(C=CC=N1)Cl PI-34713 [0,1,0,0,0,0|3,0,0]=4 603 B11R1.222 COC(=O)C1=C(C=CN=C1)N PI-33897 [0,1,0,0,0,0|3,0,0]=4 604 B11R1.222 COC(=O)C1=C(C=NC=C1)O PI-34886 [0,1,0,0,0,0|2,0,0]=3 605 B11R1.222 COC(=O)C1=C(N=CC=C1)Cl PI-24397 [0,1,0,0,0,0|3,0,0]=4 606 B11R1.222 COC(=O)C1=C(N=CC=C1)N PI-35287 [0,1,0,0,0,0|3,0,0]=4 607 B11R1.222 COC(=O)C1=CC=CC=C1Br PI-50462 [0,1,0,0,0,0|2,0,0]=3 608 B11R1.222 COC(=O)C1=CC=CC=C1Cl PI-34231 [0,1,0,0,0,0|2,0,0]=3 609 B11R1.222 COC(=O)C1=CC=CC=C1F PI-34134 [0,1,0,0,0,0|2,0,0]=3 610 B11R1.222 COC(=O)C1=CC=CC=C1S PI-50244 [0,1,0,0,0,0|1,1,0]=3 611 B11R1.222 COC(=O)c1ccccc1I PI-10942 [0,1,0,0,0,0|2,0,0]=3 612 B11R1.222 COC(=O)c1ccncc1Br PI-38429 [0,1,0,0,0,0|3,0,0]=4 613 B11R1.222 COC(=O)c1ccncc1Cl PI-36383 [0,1,0,0,0,0|3,0,0]=4 614 B11R1.222 COC(=O)c1ccncc1N PI-35280 [0,1,0,0,0,0|3,0,0]=4 615 B11R1.222 COC(=O)c1ncccc1N PI-39311 [0,1,0,0,0,0|3,0,0]=4 616 B11R1.222 COC(=O)c1ncccc1O PI-31931 [0,1,0,0,0,0|2,0,0]=3 617 B11R1.222 O=C(C1=CC=CNC1=O)OC PI-40201 [0,1,0,0,0,0|2,0,1]=4 618 B11R1.222 O=C(C1=NC=CC=C1Br)OC PI-39663 [0,1,0,0,0,0|3,0,0]=4 619 B11R1.222 OC1=NC=CN=C1C(=O)OC PI-40997 [0,1,0,0,0,0|3,0,0]=4 620 B11R1.222 ONC(=O)c1ccccc1O PI-31365 [0,1,0,0,0,0|0,0,0]=1 621 B11R2.1 C1=CC2=C(NN=C2C=C1)Br PI-34805 [0,0,0,1,0,0|2,0,0]=3 622 B11R2.1 C1=CC2=NNC(=O)N2C=C1 PI-11229 [0,0,0,1,0,0|2,0,0]=3 623 B11R2.1 C1=CC=C2C(=C1)C(=CN2)Br PI-34828 [0,0,0,1,0,0|3,0,0]=4 624 B11R2.1 C1=CC=C2C(=C1)C(=CO2)Br PI-17445 [0,0,0,1,0,0|2,0,0]=3 625 B11R2.1 C1=CC=C2C(=C1)C(=CS2)Br PI-14249 [0,0,0,1,0,0|2,1,0]=4 626 B11R2.1 C1=CC=C2C(=C1)C(=CS2)O PI-14308 [0,0,0,1,0,0|1,1,1]=4 627 B11R2.1 C1=CC=C2C(=C1)C(=NO2)N PI-14154 [0,0,0,1,0,0|1,0,0]=2 628 B11R2.1 C1=CC=C2C(=C1)C(=NS2)Cl PI-12200 [0,0,0,1,0,0|1,1,1]=4 629 B11R2.1 C1=CC=C2C(=C1)C(=O)NS2 PI-11536 [0,0,0,1,0,0|0,1,0]=2 630 B11R2.1 C1=CC=C2C(=C1)C=CS2=O PI-14312 [0,0,0,1,0,0|3,0,0]=4 631 B11R2.1 C1=CC=C2C(=C1)C=NN2N PI-44096 [0,0,0,1,0,0|3,0,0]=4 632 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-27871 [0,0,0,1,0,0|1,0,0]=2 633 B11R2.1 C1C(=O)C2=CC=CC=C2O1 PI-33947 [0,0,0,1,0,0|1,0,0]=2 634 B11R2.1 C1C2=C(C(=O)O1)N=CC=C2 PI-40243 [0,0,0,1,0,0|3,0,0]=4 635 B11R2.1 C1CC(=O)C2=CC=CC=C21 PI-12356 [0,0,0,1,0,0|2,0,0]=3 636 B11R2.1 C1CC2=CC=CC=C2C1N PI-41308 [0,0,0,1,0,0|2,0,1]=4 637 B11R2.1 CC1=CSC2=CC=CC=C12 PI-26140 [0,0,0,1,0,0|2,1,0]=4 638 B11R2.1 Cc1c[nH]c2c1cccc2 PI-10761 [0,0,0,1,0,0|3,0,0]=4 639 B11R2.1 ClC1=NOC2=C1C=CC=C2 PI-15670 [0,0,0,1,0,0|1,0,1]=3 640 B11R2.1 NC1=CNC2=C1C=NC=C2 PI-36984 [0,0,0,1,0,0|3,0,0]=4 641 B11R2.1 NC1=NSC2=NC=CC=C21 PI-46733 [0,0,0,1,0,0|2,1,0]=4 642 B11R2.1 NC1CCC2=C1C=CC=C2 PI-40451 [0,0,0,1,0,0|2,0,1]=4 643 B11R2.1 NC1CCc2ccccc12 PI-24340 [0,0,0,1,0,0|2,0,1]=4 644 B11R2.1 N[C@@H]1CCc2ccccc12 PI-17002 [0,0,0,1,0,0|2,0,1]=4 645 B11R2.1 O=C1C2=CC=CC=C2SC1 PI-42644 [0,0,0,1,0,0|1,1,0]=3 646 B11R2.1 O=C1OCc2c1cccc2 PI-33738 [0,0,0,1,0,0|2,0,0]=3 647 B11R2.1 O=C1SSC2=CC=CC=C12 PI-41753 [0,0,0,1,0,0|1,1,0]=3 648 B9R1.41 C1=C(C(=CS1)Br)C(=O)O PI-29187 [0,0,0,0,1,0|3,0,0]=4 649 B9R1.41 C1=CSC(=C1Br)C(=O)Cl PI-29405 [0,0,0,0,1,0|3,0,0]=4 650 B9R1.41 C1=CSC(=C1Br)C(=O)O PI-22617 [0,0,0,0,1,0|3,0,0]=4 651 B9R1.41 C1=CSC(=C1Cl)C(=O)Cl PI-20245 [0,0,0,0,1,0|3,0,0]=4 652 B9R1.41 C1=CSC(=C1Cl)C(=O)N PI-29148 [0,0,0,0,1,0|2,0,0]=3 653 B9R1.41 C1=CSC(=C1Cl)C(=O)O PI-10801 [0,0,0,0,1,0|3,0,0]=4 654 B9R1.41 C1=NC(=C(N1)C(=O)N)N PI-10147 [0,0,0,0,1,0|3,0,0]=4 655 B9R1.41 C1=NC(=C(S1)N)C(=O)N PI-48355 [0,0,0,0,1,0|3,0,0]=4 656 B9R1.41 C1=NNC(=C1C(=O)N)N PI-13039 [0,0,0,0,1,0|3,0,0]=4 657 B9R1.41 C1=NNC(=C1C(=O)N)N PI-35654 [0,0,0,0,1,0|3,0,0]=4 658 B9R1.41 CC(=O)C1=C(C=CS1)N PI-26559 [0,0,0,0,1,0|3,0,0]=4 659 B9R1.41 CC(=O)C1=CC=CN1C PI-12067 [0,0,0,0,1,0|3,0,0]=4 660 B9R1.41 CC1=C(C=CO1)C(=O)Cl PI-19717 [0,0,0,0,1,0|3,0,0]=4 661 B9R1.41 CC1=C(OC=C1)C(=O)O PI-17475 [0,0,0,0,1,0|3,0,0]=4 662 B9R1.41 CC1=C(SC=C1)C(=O)C PI-35069 [0,0,0,0,1,0|3,0,0]=4 663 B9R1.41 CC1=C(SC=C1)C(=O)Cl PI-11936 [0,0,0,0,1,0|3,0,0]=4 664 B9R1.41 CC1=C(SC=C1)C(=O)N PI-29912 [0,0,0,0,1,0|2,0,0]=3 665 B9R1.41 CC1=C(SC=C1)C(=O)O PI-11161 [0,0,0,0,1,0|3,0,0]=4 666 B9R1.41 NC(=O)c1[nH]cnc1N PI-31291 [0,0,0,0,1,0|3,0,0]=4 667 B9R1.41 NC(=O)c1nc[nH]c1N PI-36874 [0,0,0,0,1,0|3,0,0]=4 668 B9R1.41 NC(=O)c1sccc1N PI-14136 [0,0,0,0,1,0|2,0,0]=3 669 B9R1.41 O=C(C1=C(Br)SC=C1)O PI-41655 [0,0,0,0,1,0|3,0,0]=4 670 B9R1.41 O=C(C1=C(N)SC=C1)N PI-37067 [0,0,0,0,1,0|2,0,0]=3 671 B9R1.41 OC(=O)c1occc1Br PI-39205 [0,0,0,0,1,0|3,0,0]=4 672 B9R1.41 OC(=O)c1sccc1O PI-36902 [0,0,0,0,1,0|2,0,0]=3 673 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)Br PI-14498 [0,0,0,0,0,1|2,0,0]=3 674 B11R1.86 C1=CC=C(C(=C1)CC(=O)O)O PI-10304 [0,0,0,0,0,1|1,0,0]=2 675 B11R1.86 CC(=O)Cc1ccccc1F PI-38595 [0,0,0,0,0,1|2,0,0]=3 676 B11R1.86 CC(=O)NC1=CC=CC=C1Br PI-50525 [0,0,0,0,0,1|2,0,0]=3 677 B11R1.86 CC(=O)NC1=CC=CC=C1F PI-34151 [0,0,0,0,0,1|2,0,0]=3 678 B11R1.86 CC(=O)NC1=CC=CC=C1O PI-11773 [0,0,0,0,0,1|1,0,0]=2 679 B11R1.86 CC(=O)Nc1ccccc1N PI-39094 [0,0,0,0,0,1|2,0,0]=3 680 B11R1.86 CC(=O)OC1=CC=CC=C1Cl PI-10924 [0,0,0,0,0,1|2,0,0]=3 681 B11R1.86 CC1=CC=CC=C1N=C(N)N PI-47265 [0,0,0,0,0,1|2,0,0]=3 682 B11R1.86 CC1=CC=CC=C1NC(=S)N PI-24519 [0,0,0,0,0,1|1,1,0]=3 683 B11R1.86 ClC(=O)Cc1ccccc1C PI-24889 [0,0,0,0,0,1|2,0,0]=3 684 B11R1.86 NC(=S)Nc1ccccc1Br PI-22565 [0,0,0,0,0,1|1,1,0]=3 685 B11R1.86 NC(=S)Nc1ccccc1F PI-29832 [0,0,0,0,0,1|1,1,0]=3 686 B11R1.86 OC(=O)Cc1ccccc1C PI-30825 [0,0,0,0,0,1|2,0,0]=3 687 B11R1.86 OC(=O)Cc1ccccc1Cl PI-11828 [0,0,0,0,0,1|2,0,0]=3 688 B11R1.86 OC(=O)Cc1ccccc1F PI-16981 [0,0,0,0,0,1|2,0,0]=3 689 B11R1.86 OC(=O)Cc1ccccc1I PI-12208 [0,0,0,0,0,1|2,0,0]=3 690 B8R1.2 BrCC1=CC=CC=C1 PI-36476 [2,0,0,0,0,0|1,0,1]=4 691 B8R1.2 C#CC1=CC=CC=C1 PI-48958 [2,0,0,0,0,0|1,0,1]=4 692 B8R1.2 C1=CC(=CN=C1)NN PI-39291 [2,0,0,0,0,0|2,0,0]=4 693 B8R1.2 C1=CC=NC(=C1)NN PI-46991 [2,0,0,0,0,0|2,0,0]=4 694 B8R1.2 C1=CC=NC(=C1)NN PI-50652 [2,0,0,0,0,0|2,0,0]=4 695 B8R1.2 C1=CN=C(N=C1)C=O PI-32954 [2,0,0,0,0,0|2,0,0]=4 696 B8R1.2 C1=CN=CN=C1C=O PI-34868 [2,0,0,0,0,0|2,0,0]=4 697 B8R1.2 NCC1=CC=CC=C1 PI-37209 [2,0,0,0,0,0|0,0,1]=3 698 B8R1.2 NCC1=CC=NC=C1 PI-41875 [2,0,0,0,0,0|1,0,1]=4 699 B8R1.2 NCc1ccccn1 PI-33905 [2,0,0,0,0,0|1,0,1]=4 700 B8R1.2 NCc1cccnc1 PI-15236 [2,0,0,0,0,0|1,0,1]=4 701 B8R1.2 NCc1ccncc1 PI-31790 [2,0,0,0,0,0|1,0,1]=4 702 B8R1.2 NNC1=CC=CC=C1 PI-41551 [2,0,0,0,0,0|1,0,0]=3 703 B8R1.2 O=Cc1ccccn1 PI-33895 [2,0,0,0,0,0|1,0,0]=3 704 B8R1.2 O=Cc1cccnc1 PI-33908 [2,0,0,0,0,0|1,0,0]=3 705 B8R1.2 O=Cc1ccncc1 PI-13140 [2,0,0,0,0,0|1,0,0]=3 706 B8R1.2 ONc1ccccc1 PI-38448 [2,0,0,0,0,0|1,0,1]=4 707 B8R1.2 [C-]#CC1=CC=CC=C1 PI-48435 [2,0,0,0,0,0|1,0,1]=4 708 B8R1.5 BrC1=NC=CC=C1N PI-28492 [2,0,0,0,0,0|2,0,0]=4 709 B8R1.5 Brc1ccccc1Br PI-38145 [2,0,0,0,0,0|2,0,0]=4 710 B8R1.5 Brc1cccnc1N PI-30126 [2,0,0,0,0,0|2,0,0]=4 711 B8R1.5 C1=CC(=C(N=C1)Cl)O PI-16697 [2,0,0,0,0,0|2,0,0]=4 712 B8R1.5 C1=CC(=C(N=C1)F)N PI-16374 [2,0,0,0,0,0|2,0,0]=4 713 B8R1.5 C1=CC(=C(N=C1)F)O PI-40205 [2,0,0,0,0,0|2,0,0]=4 714 B8R1.5 C1=CC(=C(N=C1)N)Cl PI-31793 [2,0,0,0,0,0|2,0,0]=4 715 B8R1.5 C1=CC(=O)N(C=C1)O PI-43160 [2,0,0,0,0,0|1,0,0]=3 716 B8R1.5 C1=CC(=S)N(C=C1)O PI-13313 [2,0,0,0,0,0|1,1,0]=4 717 B8R1.5 C1=CC(=S)N(C=C1)O PI-15830 [2,0,0,0,0,0|1,1,0]=4 718 B8R1.5 C1=CC=C(C(=C1)Cl)Br PI-41004 [2,0,0,0,0,0|2,0,0]=4 719 B8R1.5 C1=CC=C(C(=C1)Cl)Cl PI-21004 [2,0,0,0,0,0|2,0,0]=4 720 B8R1.5 C1=CC=C(C(=C1)F)I PI-23606 [2,0,0,0,0,0|2,0,0]=4 721 B8R1.5 C1=CC=C(C(=C1)F)S PI-16911 [2,0,0,0,0,0|1,1,0]=4 722 B8R1.5 C1=CC=C(C(=C1)N)I PI-10964 [2,0,0,0,0,0|1,0,0]=3 723 B8R1.5 C1=CC=C(C(=C1)N)N PI-17100 [2,0,0,0,0,0|1,0,0]=3 724 B8R1.5 C1=CC=C(C(=C1)O)F PI-11848 [2,0,0,0,0,0|1,0,0]=3 725 B8R1.5 C1=CN=CC(=C1Cl)N PI-28262 [2,0,0,0,0,0|2,0,0]=4 726 B8R1.5 C1=CNC(=O)C(=C1)Cl PI-35282 [2,0,0,0,0,0|2,0,0]=4 727 B8R1.5 C1=CNC(=O)C(=C1)F PI-34509 [2,0,0,0,0,0|2,0,0]=4 728 B8R1.5 C1=CNC(=O)C(=C1)N PI-10375 [2,0,0,0,0,0|1,0,1]=4 729 B8R1.5 C1=CNC(=S)C(=C1)N PI-36113 [2,0,0,0,0,0|1,1,0]=4 730 B8R1.5 C1=CNC=C(C1=O)N PI-28705 [2,0,0,0,0,0|1,0,1]=4 731 B8R1.5 CC1=C(C=CN=C1)N PI-14242 [2,0,0,0,0,0|2,0,0]=4 732 B8R1.5 CC1=C(C=NC=C1)O PI-34258 [2,0,0,0,0,0|1,0,1]=4 733 B8R1.5 CC1=C(N=CC=C1)N PI-33812 [2,0,0,0,0,0|2,0,0]=4 734 B8R1.5 CC1=CC=CC=C1I PI-10980 [2,0,0,0,0,0|1,0,1]=4 735 B8R1.5 CC1=CC=CC=[N+]1N PI-45950 [2,0,0,0,0,0|2,0,0]=4 736 B8R1.5 Cc1ccccc1F PI-34118 [2,0,0,0,0,0|1,0,1]=4 737 B8R1.5 Cc1ccncc1N PI-24336 [2,0,0,0,0,0|2,0,0]=4 738 B8R1.5 Cc1cnccc1O PI-38275 [2,0,0,0,0,0|1,0,1]=4 739 B8R1.5 Fc1ccccc1Br PI-33063 [2,0,0,0,0,0|2,0,0]=4 740 B8R1.5 Fc1ccccc1F PI-11671 [2,0,0,0,0,0|2,0,0]=4 741 B8R1.5 IC1=CC=CC=C1Br PI-21523 [2,0,0,0,0,0|2,0,0]=4 742 B8R1.5 IC1=CC=CC=C1I PI-21274 [2,0,0,0,0,0|2,0,0]=4 743 B8R1.5 Ic1cccnc1N PI-36512 [2,0,0,0,0,0|2,0,0]=4 744 B8R1.5 NC1=C(C=NC=C1)F PI-40470 [2,0,0,0,0,0|2,0,0]=4 745 B8R1.5 Nc1cccnc1C PI-13066 [2,0,0,0,0,0|2,0,0]=4 746 B8R1.5 Nc1cccnc1Cl PI-24529 [2,0,0,0,0,0|2,0,0]=4 747 B8R1.5 Nc1cccnc1N PI-10159 [2,0,0,0,0,0|2,0,0]=4 748 B8R1.5 Nc1ccncc1Br PI-16045 [2,0,0,0,0,0|2,0,0]=4 749 B8R1.5 Nc1cnccc1I PI-36511 [2,0,0,0,0,0|2,0,0]=4 750 B8R1.5 Nc1cnccc1N PI-16569 [2,0,0,0,0,0|2,0,0]=4 751 B8R1.5 O=c1[nH]cccc1C PI-16687 [2,0,0,0,0,0|2,0,0]=4 752 B8R1.5 O=c1ccccn1C PI-10985 [2,0,0,0,0,0|2,0,0]=4 753 B8R1.5 OC1=C(I)C=CC=C1 PI-10953 [2,0,0,0,0,0|1,0,0]=3 754 B8R1.5 OC1=NC=CC=C1Br PI-37057 [2,0,0,0,0,0|2,0,0]=4 755 B8R1.5 Oc1ccccc1Br PI-10952 [2,0,0,0,0,0|1,0,0]=3 756 B8R1.5 Oc1ccccc1O PI-31351 [2,0,0,0,0,0|0,0,1]=3 757 B8R1.5 Oc1ccccc1S PI-20878 [2,0,0,0,0,0|0,1,0]=3 758 B8R1.5 Oc1cccnc1Br PI-16727 [2,0,0,0,0,0|2,0,0]=4 759 B8R1.5 Oc1cccnc1C PI-13315 [2,0,0,0,0,0|1,0,1]=4 760 B8R1.5 Oc1cccnc1N PI-16260 [2,0,0,0,0,0|1,0,0]=3 761 B8R1.5 Oc1ccncc1Br PI-38971 [2,0,0,0,0,0|2,0,0]=4 762 B8R1.5 Oc1ncccc1O PI-11386 [2,0,0,0,0,0|1,0,1]=4 763 B10R1.13 Brc1ccc(cc1)C(=O)O PI-27741 [1,1,0,0,0,0|1,0,0]=3 764 B10R1.13 Brc1ccc(cc1)S(=O)[O-] PI-30223 [1,1,0,0,0,0|2,0,0]=4 765 B10R1.13 Brc1ccc(cc1)[N+](=O)[O-] PI-30746 [1,1,0,0,0,0|2,0,0]=4 766 B10R1.13 Brc1ccc(cn1)C(=O)O PI-10090 [1,1,0,0,0,0|2,0,0]=4 767 B10R1.13 Brc1ccc(nc1)C(=O)O PI-10180 [1,1,0,0,0,0|2,0,0]=4 768 B10R1.13 C1=C(C(=N)N)C=CC(=C1)F PI-38824 [1,1,0,0,0,0|1,0,0]=3 769 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-23130 [1,1,0,0,0,0|1,0,0]=3 770 B10R1.13 C1=CC(=CC=C1C(=N)N)Cl PI-36543 [1,1,0,0,0,0|1,0,0]=3 771 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-10167 [1,1,0,0,0,0|1,0,0]=3 772 B10R1.13 C1=CC(=CC=C1C(=N)N)N PI-30927 [1,1,0,0,0,0|1,0,0]=3 773 B10R1.13 C1=CC(=CC=C1C(=O)Cl)F PI-11984 [1,1,0,0,0,0|1,0,0]=3 774 B10R1.13 C1=CC(=CC=C1C(=O)N)Cl PI-30790 [1,1,0,0,0,0|0,0,0]=2 775 B10R1.13 C1=CC(=CC=C1C(=O)N)O PI-20729 [1,1,0,0,0,0|0,0,0]=2 776 B10R1.13 C1=CC(=CC=C1C(=O)O)I PI-12206 [1,1,0,0,0,0|1,0,0]=3 777 B10R1.13 C1=CC(=CC=C1C(=O)O)S PI-11996 [1,1,0,0,0,0|1,0,0]=3 778 B10R1.13 C1=CC(=CC=C1C(=O)[O-])F PI-28585 [1,1,0,0,0,0|1,0,0]=3 779 B10R1.13 C1=CC(=CC=C1C(=S)N)Br PI-22614 [1,1,0,0,0,0|0,1,0]=3 780 B10R1.13 C1=CC(=CC=C1C(N)=O)F PI-28843 [1,1,0,0,0,0|0,0,0]=2 781 B10R1.13 C1=CC(=CC=C1F)S(=O)[O-] PI-23445 [1,1,0,0,0,0|2,0,0]=4 782 B10R1.13 C1=CC(=CC=C1N)[N+](=O)[O-] PI-50479 [1,1,0,0,0,0|2,0,0]=4 783 B10R1.13 C1=CC(=CC=C1S(=O)[O-])Cl PI-23131 [1,1,0,0,0,0|2,0,0]=4 784 B10R1.13 C1=CC(=NC=C1C(=O)N)Cl PI-30802 [1,1,0,0,0,0|1,0,0]=3 785 B10R1.13 C1=CC(=NC=C1C(=O)N)N PI-17748 [1,1,0,0,0,0|1,0,0]=3 786 B10R1.13 C1=CC(=NC=C1C(=O)O)Cl PI-31219 [1,1,0,0,0,0|2,0,0]=4 787 B10R1.13 C1=CC(=NC=C1C(=O)O)F PI-16388 [1,1,0,0,0,0|2,0,0]=4 788 B10R1.13 C1=CC(=NC=C1C(=O)O)N PI-10089 [1,1,0,0,0,0|2,0,0]=4 789 B10R1.13 C1=CC(=O)NC=C1C(=O)O PI-10378 [1,1,0,0,0,0|2,0,0]=4 790 B10R1.13 C1=CC(=O)OC=C1C(=O)O PI-31209 [1,1,0,0,0,0|2,0,0]=4 791 B10R1.13 C1=C[N+](=CC=C1C(=O)O)[O-] PI-18162 [1,1,0,0,0,0|2,0,0]=4 792 B10R1.13 CC(=O)C1=CC=C(C=C1)Br PI-44871 [1,1,0,0,0,0|1,0,0]=3 793 B10R1.13 CC(=O)C1=CC=C(C=C1)N PI-29588 [1,1,0,0,0,0|1,0,0]=3 794 B10R1.13 CC(=O)C1=CN=C(C=C1)N PI-34884 [1,1,0,0,0,0|2,0,0]=4 795 B10R1.13 CC(=O)C1=NC=C(C=C1)Br PI-41220 [1,1,0,0,0,0|2,0,0]=4 796 B10R1.13 CC(=O)c1ccc(cc1)I PI-29117 [1,1,0,0,0,0|1,0,0]=3 797 B10R1.13 CC(C1=CC=C(C=C1)Br)N PI-19358 [1,1,0,0,0,0|1,0,1]=4 798 B10R1.13 CC(C1=CC=C(C=C1)Cl)N PI-47032 [1,1,0,0,0,0|1,0,1]=4 799 B10R1.13 CC(C1=CC=C(O)C=C1)=O PI-37424 [1,1,0,0,0,0|1,0,0]=3 800 B10R1.13 CC1=CC=C(C=C1)C(=N)N PI-29803 [1,1,0,0,0,0|1,0,0]=3 801 B10R1.13 CC1=CC=C(C=C1)C(=O)C PI-32267 [1,1,0,0,0,0|1,0,0]=3 802 B10R1.13 CC1=CC=C(C=C1)C(=O)Cl PI-34220 [1,1,0,0,0,0|1,0,0]=3 803 B10R1.13 CC1=CC=C(C=C1)C(=S)N PI-30352 [1,1,0,0,0,0|0,1,0]=3 804 B10R1.13 CC1=NC=C(C=C1)C(=O)C PI-34864 [1,1,0,0,0,0|2,0,0]=4 805 B10R1.13 C[C@@H](c1ccc(cc1)Br)N PI-16658 [1,1,0,0,0,0|1,0,1]=4 806 B10R1.13 C[C@@H](c1ccc(cc1)F)N PI-43974 [1,1,0,0,0,0|1,0,1]=4 807 B10R1.13 Cc1ccc(cc1)S(=O)O PI-38460 [1,1,0,0,0,0|2,0,0]=4 808 B10R1.13 Cc1ccc(cn1)C(=O)O PI-16698 [1,1,0,0,0,0|2,0,0]=4 809 B10R1.13 ClC(=O)c1ccc(Cl)cc1 PI-34309 [1,1,0,0,0,0|1,0,0]=3 810 B10R1.13 ClC(=O)c1ccc(cc1)Br PI-11966 [1,1,0,0,0,0|1,0,0]=3 811 B10R1.13 ClC(=O)c1ccc(cc1)C PI-32402 [1,1,0,0,0,0|1,0,0]=3 812 B10R1.13 Clc1ccc(cn1)C(=O)Cl PI-12964 [1,1,0,0,0,0|2,0,0]=4 813 B10R1.13 Fc1ccc(cc1)C(=O)O PI-16490 [1,1,0,0,0,0|1,0,0]=3 814 B10R1.13 Fc1ccc(cc1)[N+](=O)[O-] PI-33135 [1,1,0,0,0,0|2,0,0]=4 815 B10R1.13 NC(=N)c1ccc(cc1)Cl PI-30146 [1,1,0,0,0,0|1,0,0]=3 816 B10R1.13 NC(=O)c1ccc(cc1)Br PI-30860 [1,1,0,0,0,0|0,0,0]=2 817 B10R1.13 NC(=S)c1ccc(cc1)Cl PI-30378 [1,1,0,0,0,0|0,1,0]=3 818 B10R1.13 NC(=S)c1ccc(cc1)O PI-20877 [1,1,0,0,0,0|0,1,0]=3 819 B10R1.13 Nc1ccc(cc1)C(=O)N PI-38043 [1,1,0,0,0,0|0,0,0]=2 820 B10R1.13 Nc1ccc(nc1)C(=O)N PI-36522 [1,1,0,0,0,0|1,0,0]=3 821 B10R1.13 Nc1ccc(nc1)C(=O)O PI-10173 [1,1,0,0,0,0|2,0,0]=4 822 B10R1.13 O=C(N)C1=CC=C(I)C=C1 PI-41985 [1,1,0,0,0,0|0,0,0]=2 823 B10R1.13 O=C(N)C1=CN=C(C)C=C1 PI-37349 [1,1,0,0,0,0|1,0,0]=3 824 B10R1.13 O=[S@@](C1=CC=C(C)C=C1)N PI-41430 [1,1,0,0,0,0|1,0,0]=3 825 B10R1.13 O=[S@](C1=CC=C(C)C=C1)N PI-41427 [1,1,0,0,0,0|1,0,0]=3 826 B10R1.13 Oc1ccc(cc1)C(=N)N PI-20730 [1,1,0,0,0,0|1,0,0]=3 827 B10R1.13 Sc1ccc(cc1)[N+](=O)[O-] PI-21365 [1,1,0,0,0,0|2,0,0]=4 828 B10R1.13 [O-]C1=CC=C([N+]([O-])=O)C=C1 PI-37341 [1,1,0,0,0,0|2,0,0]=4 829 B10R1.15 BrCC(=O)c1ccccn1 PI-20524 [1,1,0,0,0,0|2,0,0]=4 830 B10R1.15 BrCC(=O)c1ccncc1 PI-20526 [1,1,0,0,0,0|2,0,0]=4 831 B10R1.15 C1=CC(=CN=C1)C(=NO)N PI-34835 [1,1,0,0,0,0|1,0,1]=4 832 B10R1.15 C1=CC(=CN=C1)C(=O)CBr PI-20525 [1,1,0,0,0,0|2,0,0]=4 833 B10R1.15 C1=CC=C(C=C1)C(=O)C#N PI-11000 [1,1,0,0,0,0|0,0,1]=3 834 B10R1.15 C1=CC=C(C=C1)C(=O)C=O PI-30054 [1,1,0,0,0,0|1,0,0]=3 835 B10R1.15 C1=CC=C(C=C1)C(=O)NO PI-10934 [1,1,0,0,0,0|0,0,0]=2 836 B10R1.15 C1=CC=C(C=C1)C(CN)O PI-30384 [1,1,0,0,0,0|0,0,2]=4 837 B10R1.15 C1=CC=NC(=C1)C(=O)NN PI-50236 [1,1,0,0,0,0|1,0,0]=3 838 B10R1.15 C1=CN=C(C=N1)C(=O)NN PI-35467 [1,1,0,0,0,0|2,0,0]=4 839 B10R1.15 CC(=NO)C1=CC=CC=C1 PI-29764 [1,1,0,0,0,0|1,0,1]=4 840 B10R1.15 CC(C1=CC=CC=C1)NC PI-26776 [1,1,0,0,0,0|1,0,1]=4 841 B10R1.15 CC(CN)C1=CC=CC=C1 PI-10356 [1,1,0,0,0,0|1,0,1]=4 842 B10R1.15 CCC(=O)c1ccncc1 PI-36821 [1,1,0,0,0,0|2,0,0]=4 843 B10R1.15 CCC(C1=CC=CC=C1)N PI-16663 [1,1,0,0,0,0|1,0,1]=4 844 B10R1.15 CCN(C1=CC=CC=C1)N PI-29822 [1,1,0,0,0,0|2,0,0]=4 845 B10R1.15 CC[C@@H](c1ccccc1)N PI-16662 [1,1,0,0,0,0|1,0,1]=4 846 B10R1.15 CNC(=O)c1ccccc1 PI-29765 [1,1,0,0,0,0|0,0,0]=2 847 B10R1.15 COC(=N)C1=CC=CC=C1 PI-19741 [1,1,0,0,0,0|0,0,2]=4 848 B10R1.15 COC(=O)C1=CN=CC=C1 PI-33274 [1,1,0,0,0,0|2,0,0]=4 849 B10R1.15 COC(=O)c1ccccn1 PI-33273 [1,1,0,0,0,0|2,0,0]=4 850 B10R1.15 C[C@H](CN)c1ccccc1 PI-10355 [1,1,0,0,0,0|1,0,1]=4 851 B10R1.15 NCC(=O)c1ccccc1 PI-29691 [1,1,0,0,0,0|0,0,0]=2 852 B10R1.15 NCC(O)c1ccccc1 PI-17268 [1,1,0,0,0,0|0,0,2]=4 853 B10R1.15 NC[C@H](c1ccccc1)O PI-30721 [1,1,0,0,0,0|0,0,2]=4 854 B10R1.15 NNC(=O)c1cccnc1 PI-18681 [1,1,0,0,0,0|1,0,0]=3 855 B10R1.15 OCC(=O)c1ccccc1 PI-11851 [1,1,0,0,0,0|1,0,0]=3 856 B10R1.15 OC[C@@H](N)c1ccccc1 PI-16634 [1,1,0,0,0,0|0,0,2]=4 857 B10R1.15 OC[C@@H](c1ccccc1)N PI-16633 [1,1,0,0,0,0|0,0,2]=4 858 B10R1.15 O\N=C(/c1ccccc1)\Cl PI-23127 [1,1,0,0,0,0|1,0,1]=4 859 B10R1.15 O\N=C(\c1ccccc1)/N PI-14770 [1,1,0,0,0,0|0,0,1]=3 860 B10R1.28 C1=CC=C(C=C1)S(=O)(=O)[O-] PI-17596 [1,1,0,0,0,0|2,0,0]=4 861 B10R1.28 CP(=O)(C1=CC=CC=C1)O PI-30611 [1,1,0,0,0,0|2,0,0]=4 862 B10R1.28 CS(=O)(=O)c1ccccc1 PI-24312 [1,1,0,0,0,0|2,0,0]=4 863 B10R1.113 Brc1cccc(c1)C(=N)N PI-30204 [1,1,0,0,0,0|1,0,0]=3 864 B10R1.113 Brc1cccc(c1)C(=O)Cl PI-11911 [1,1,0,0,0,0|1,0,0]=3 865 B10R1.113 Brc1cccc(c1)C(=O)O PI-12741 [1,1,0,0,0,0|1,0,0]=3 866 B10R1.113 Brc1cccc(c1)C(N)C PI-34608 [1,1,0,0,0,0|1,0,1]=4 867 B10R1.113 Brc1cccc(c1)[C@@H](N)C PI-34607 [1,1,0,0,0,0|1,0,1]=4 868 B10R1.113 Brc1cccc(c1)[N+](=O)[O-] PI-13640 [1,1,0,0,0,0|2,0,0]=4 869 B10R1.113 Brc1cccc(n1)C(=O)O PI-16042 [1,1,0,0,0,0|2,0,0]=4 870 B10R1.113 Brc1nccc(c1)C(=O)O PI-28742 [1,1,0,0,0,0|2,0,0]=4 871 B10R1.113 C1=C(C=NC=C1Br)C(=O)O PI-22834 [1,1,0,0,0,0|2,0,0]=4 872 B10R1.113 C1=C(C=NC=C1Cl)C(=O)O PI-13096 [1,1,0,0,0,0|2,0,0]=4 873 B10R1.113 C1=C(C=NC=C1F)C(=O)O PI-19548 [1,1,0,0,0,0|2,0,0]=4 874 B10R1.113 C1=C(C=NC=C1N)C(=O)O PI-10028 [1,1,0,0,0,0|2,0,0]=4 875 B10R1.113 C1=CC(=CC(=C1)Br)C(=S)N PI-22613 [1,1,0,0,0,0|0,1,0]=3 876 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)Cl PI-12189 [1,1,0,0,0,0|1,0,0]=3 877 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)N PI-23129 [1,1,0,0,0,0|0,0,0]=2 878 B10R1.113 C1=CC(=CC(=C1)Cl)C(=O)O PI-34230 [1,1,0,0,0,0|1,0,0]=3 879 B10R1.113 C1=CC(=CC(=C1)Cl)C(=S)N PI-15665 [1,1,0,0,0,0|0,1,0]=3 880 B10R1.113 C1=CC(=CC(=C1)F)C(=O)Cl PI-12124 [1,1,0,0,0,0|1,0,0]=3 881 B10R1.113 C1=CC(=CC(=C1)F)C(=O)O PI-10427 [1,1,0,0,0,0|1,0,0]=3 882 B10R1.113 C1=CC(=CC(=C1)F)C(=O)[O-] PI-28584 [1,1,0,0,0,0|1,0,0]=3 883 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=O)N PI-14714 [1,1,0,0,0,0|1,0,0]=3 884 B10R1.113 C1=CC(=C[N+](=C1)[O-])C(=S)N PI-17387 [1,1,0,0,0,0|1,1,0]=4 885 B10R1.113 C1=CC(=NC(=C1)N)C(=O)O PI-24258 [1,1,0,0,0,0|2,0,0]=4 886 B10R1.113 C1=CN=C(C=C1Br)C(=O)O PI-35911 [1,1,0,0,0,0|2,0,0]=4 887 B10R1.113 C1=CN=C(C=C1C(=O)O)Cl PI-16713 [1,1,0,0,0,0|2,0,0]=4 888 B10R1.113 C1=CN=C(C=C1C(=O)O)N PI-28116 [1,1,0,0,0,0|2,0,0]=4 889 B10R1.113 C1=CN=C(C=C1Cl)C(=O)Cl PI-33856 [1,1,0,0,0,0|2,0,0]=4 890 B10R1.113 C1=CN=C(C=C1Cl)C(=O)O PI-34707 [1,1,0,0,0,0|2,0,0]=4 891 B10R1.113 C1=CNC(=CC1=O)C(=O)O PI-34877 [1,1,0,0,0,0|2,0,0]=4 892 B10R1.113 C1=CNC(=O)C=C1C(=O)O PI-28282 [1,1,0,0,0,0|2,0,0]=4 893 B10R1.113 CC(=O)C1=CC(=CC=C1)I PI-29141 [1,1,0,0,0,0|1,0,0]=3 894 B10R1.113 CC(=O)C1=CC(=CN=C1)Br PI-26605 [1,1,0,0,0,0|2,0,0]=4 895 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34605 [1,1,0,0,0,0|1,0,1]=4 896 B10R1.113 CC(C1=CC(=CC=C1)F)N PI-34606 [1,1,0,0,0,0|1,0,1]=4 897 B10R1.113 CC1=CC(=CC=C1)C(=N)N PI-30283 [1,1,0,0,0,0|1,0,0]=3 898 B10R1.113 CC1=CC(=CC=C1)C(=O)C PI-10859 [1,1,0,0,0,0|1,0,0]=3 899 B10R1.113 CC1=CC(=CC=C1)N(C)N PI-29882 [1,1,0,0,0,0|2,0,0]=4 900 B10R1.113 CC1=CC(=CN=C1)C(=O)O PI-13102 [1,1,0,0,0,0|2,0,0]=4 901 B10R1.113 CC1=NC(=CC=C1)C(=O)O PI-31796 [1,1,0,0,0,0|2,0,0]=4 902 B10R1.113 CC1=NC=CC(C(C)=O)=C1 PI-46770 [1,1,0,0,0,0|2,0,0]=4 903 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)N PI-17447 [1,1,0,0,0,0|1,0,0]=3 904 B10R1.113 C[N+]1=CC=CC(=C1)C(=O)O PI-17996 [1,1,0,0,0,0|2,0,0]=4 905 B10R1.113 C[n+]1cccc(c1)C(=O)[O-] PI-39076 [1,1,0,0,0,0|2,0,0]=4 906 B10R1.113 Clc1cccc(c1)[C@@H](N)C PI-34603 [1,1,0,0,0,0|1,0,1]=4 907 B10R1.113 Clc1cccc(c1)[C@H](N)C PI-34604 [1,1,0,0,0,0|1,0,1]=4 908 B10R1.113 Clc1cccc(n1)C(=O)O PI-10178 [1,1,0,0,0,0|2,0,0]=4 909 B10R1.113 Clc1nccc(c1)C(=O)C PI-38296 [1,1,0,0,0,0|2,0,0]=4 910 B10R1.113 Fc1cccc(c1)C(=O)C PI-28549 [1,1,0,0,0,0|1,0,0]=3 911 B10R1.113 Fc1cccc(c1)[N+](=O)[O-] PI-16966 [1,1,0,0,0,0|2,0,0]=4 912 B10R1.113 Fc1cccc(n1)C(=O)O PI-34433 [1,1,0,0,0,0|2,0,0]=4 913 B10R1.113 Fc1nccc(c1)C(=O)O PI-19547 [1,1,0,0,0,0|2,0,0]=4 914 B10R1.113 Ic1cccc(c1)C(=O)O PI-12091 [1,1,0,0,0,0|1,0,0]=3 915 B10R1.113 Ic1nccc(c1)C(=O)O PI-36519 [1,1,0,0,0,0|2,0,0]=4 916 B10R1.113 NC(=O)c1cc(Br)cnc1 PI-30430 [1,1,0,0,0,0|1,0,0]=3 917 B10R1.113 NC(C1=CC=CC(O)=C1)=S PI-20876 [1,1,0,0,0,0|0,1,0]=3 918 B10R1.113 Nc1cccc(c1)C(=O)C PI-32567 [1,1,0,0,0,0|1,0,0]=3 919 B10R1.113 Nc1cccc(c1)C(=O)N PI-30514 [1,1,0,0,0,0|0,0,0]=2 920 B10R1.113 O=C(C1=CC(C)=NC=C1)O PI-36276 [1,1,0,0,0,0|2,0,0]=4 921 B10R1.113 O=C(C1=CC(C=CO1)=O)O PI-40052 [1,1,0,0,0,0|2,0,0]=4 922 B10R1.113 OC(=O)c1cccc(O)n1 PI-16038 [1,1,0,0,0,0|2,0,0]=4 923 B10R1.113 Oc1cccc(c1)C(=O)C PI-31363 [1,1,0,0,0,0|1,0,0]=3 924 B10R1.113 Oc1cccc(c1)C(=O)N PI-30785 [1,1,0,0,0,0|0,0,0]=2 925 B10R1.113 Oc1cccc(c1)C(=O)O PI-33399 [1,1,0,0,0,0|1,0,0]=3 926 B10R1.113 Oc1cccc(c1)[N+](=O)[O-] PI-11942 [1,1,0,0,0,0|2,0,0]=4 927 B10R1.113 Oc1cncc(c1)C(=O)O PI-10172 [1,1,0,0,0,0|2,0,0]=4 928 B10R1.113 S=C(N)C1=CC=CC(C)=C1 PI-19344 [1,1,0,0,0,0|0,1,0]=3 929 B10R1.2 C1=CC(=C(C(=C1)Br)O)C=O PI-27283 [1,1,0,0,0,0|0,0,0]=2 930 B10R1.2 C1=CC(=C(C(=C1)Cl)F)NN PI-10632 [1,1,0,0,0,0|2,0,0]=4 931 B10R1.2 C1=CC(=C(C(=C1)F)Cl)C=O PI-28939 [1,1,0,0,0,0|1,0,0]=3 932 B10R1.2 C1=CC(=C(C(=C1)F)F)C=O PI-28322 [1,1,0,0,0,0|1,0,0]=3 933 B10R1.2 C1=CC(=C(C(=C1)F)F)CN PI-21148 [1,1,0,0,0,0|1,0,1]=4 934 B10R1.2 C1=CC(=C(C(=C1)F)O)C=O PI-18520 [1,1,0,0,0,0|0,0,0]=2 935 B10R1.2 C1=CN=C(C(=C1C=O)Cl)Cl PI-41929 [1,1,0,0,0,0|2,0,0]=4 936 B10R1.2 CC1=C(C(=CC=C1)C=O)C PI-10267 [1,1,0,0,0,0|1,0,0]=3 937 B10R1.2 CC1=C(C(=CC=C1)NN)C PI-29705 [1,1,0,0,0,0|2,0,0]=4 938 B10R1.2 CC1=C(C=CC=C1F)C=O PI-28157 [1,1,0,0,0,0|1,0,0]=3 939 B10R1.2 COc1cccc(c1O)O PI-19986 [1,1,0,0,0,0|2,0,0]=4 940 B10R1.2 N#Cc1cccc(c1O)O PI-31955 [1,1,0,0,0,0|0,0,2]=4 941 B10R1.2 NCC1=CC=CC(F)=C1Br PI-46659 [1,1,0,0,0,0|1,0,1]=4 942 B10R1.2 NCc1cccc(Cl)c1F PI-20073 [1,1,0,0,0,0|1,0,1]=4 943 B10R1.2 NNC1=CC=CC(Cl)=C1Cl PI-21067 [1,1,0,0,0,0|2,0,0]=4 944 B10R1.2 O=CC1=CC=CC(F)=C1Br PI-28928 [1,1,0,0,0,0|1,0,0]=3 945 B10R1.2 O=CC1=CC=CC(F)=C1I PI-28940 [1,1,0,0,0,0|1,0,0]=3 946 B10R1.2 O=Cc1cccc(Br)c1F PI-36808 [1,1,0,0,0,0|1,0,0]=3 947 B10R1.2 O=Cc1cccc(C)c1F PI-28944 [1,1,0,0,0,0|1,0,0]=3 948 B10R1.2 O=Cc1cccc(C)c1O PI-27937 [1,1,0,0,0,0|0,0,0]=2 949 B10R1.2 O=Cc1cccc(Cl)c1Cl PI-12552 [1,1,0,0,0,0|1,0,0]=3 950 B10R1.2 O=Cc1cccc(Cl)c1O PI-26254 [1,1,0,0,0,0|0,0,0]=2 951 B10R1.2 O=Cc1cccc(O)c1O PI-21380 [1,1,0,0,0,0|0,0,0]=2 952 B10R1.2 O=Cc1cccc(c1F)Cl PI-28866 [1,1,0,0,0,0|1,0,0]=3 953 B10R1.4 C1=CC=C(C(=C1)C=NN)O PI-27488 [1,1,0,0,0,0|0,0,0]=2 954 B10R1.4 C1=CC=C(C(=C1)C=NO)Br PI-27497 [1,1,0,0,0,0|1,0,1]=4 955 B10R1.4 C1=CC=C(C(=C1)C=NO)Cl PI-23126 [1,1,0,0,0,0|1,0,1]=4 956 B10R1.4 C1=CC=C(C(=C1)CNN)F PI-50605 [1,1,0,0,0,0|1,0,1]=4 957 B10R1.4 C1=CC=C(C(=C1)N=C=O)Br PI-14503 [1,1,0,0,0,0|1,0,1]=4 958 B10R1.4 C1=CC=C(C(=C1)N=C=O)Cl PI-11418 [1,1,0,0,0,0|1,0,1]=4 959 B10R1.4 C=CCC1=CC=CC=C1O PI-46039 [1,1,0,0,0,0|1,0,0]=3 960 B10R1.4 CC1=CC=CC=C1N=C=O PI-11410 [1,1,0,0,0,0|1,0,1]=4 961 B10R1.4 NCCc1ccccc1Br PI-39292 [1,1,0,0,0,0|1,0,1]=4 962 B10R1.4 NCCc1ccccc1Cl PI-20209 [1,1,0,0,0,0|1,0,1]=4 963 B10R1.4 NCCc1ccccc1F PI-38584 [1,1,0,0,0,0|1,0,1]=4 964 B10R1.4 NOCc1ccccc1Cl PI-39246 [1,1,0,0,0,0|1,0,1]=4 965 B10R1.4 O=C=Nc1ccccc1F PI-26192 [1,1,0,0,0,0|1,0,1]=4 966 B10R1.20 C#CC1=CC=CC=C1C=O PI-26604 [1,1,0,0,0,0|1,0,0]=3 967 B10R1.20 C#Cc1ccccc1OC PI-30918 [1,1,0,0,0,0|1,0,1]=4 968 B10R1.20 C1=CC=C(C(=C1)C=O)C#N PI-11835 [1,1,0,0,0,0|1,0,0]=3 969 B10R1.20 C1=CC=C(C(=C1)CO)CO PI-11672 [1,1,0,0,0,0|0,0,2]=4 970 B10R1.20 CCC1=CC=CC=C1C=O PI-35265 [1,1,0,0,0,0|1,0,0]=3 971 B10R1.20 CCC1=CC=CC=C1NN PI-12293 [1,1,0,0,0,0|2,0,0]=4 972 B10R1.20 CCC1=CC=CC=C1NN PI-50566 [1,1,0,0,0,0|2,0,0]=4 973 B10R1.20 COC1=C(C=NC=C1)C=O PI-50082 [1,1,0,0,0,0|1,0,0]=3 974 B10R1.20 COC1=CC=CC=C1CN PI-31715 [1,1,0,0,0,0|0,0,1]=3 975 B10R1.20 COC1=CC=CC=C1NN PI-29852 [1,1,0,0,0,0|1,0,0]=3 976 B10R1.20 COC1=CC=CC=C1NN PI-50513 [1,1,0,0,0,0|1,0,0]=3 977 B10R1.20 COC1=CC=CC=C1SC PI-11860 [1,1,0,0,0,0|2,0,0]=4 978 B10R1.20 COc1ccccc1CCl PI-34182 [1,1,0,0,0,0|1,0,1]=4 979 B10R1.20 COc1ncccc1C=O PI-26862 [1,1,0,0,0,0|1,0,0]=3 980 B10R1.20 CSC1=CC=CC=C1C=O PI-27861 [1,1,0,0,0,0|0,1,0]=3 981 B10R1.20 N#Cc1ccccc1CN PI-38828 [1,1,0,0,0,0|1,0,1]=4 982 B10R1.20 N#Cc1ccccc1CO PI-38221 [1,1,0,0,0,0|0,0,2]=4 983 B10R1.20 N#Cc1ccccc1OC PI-11857 [1,1,0,0,0,0|0,0,2]=4 984 B10R1.20 O=Cc1ccccc1C=O PI-31254 [1,1,0,0,0,0|0,0,1]=3 985 B10R1.25 C1=CC(=C(C=C1Br)Cl)C=O PI-38898 [1,1,0,0,0,0|1,0,0]=3 986 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-14436 [1,1,0,0,0,0|1,0,1]=4 987 B10R1.25 C1=CC(=C(C=C1Br)F)CN PI-31021 [1,1,0,0,0,0|1,0,1]=4 988 B10R1.25 C1=CC(=C(C=C1Br)O)C#N PI-43950 [1,1,0,0,0,0|0,0,2]=4 989 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN PI-11745 [1,1,0,0,0,0|2,0,0]=4 990 B10R1.25 C1=CC(=C(C=C1Cl)Cl)NN PI-34158 [1,1,0,0,0,0|2,0,0]=4 991 B10R1.25 C1=CC(=C(C=C1Cl)F)C=O PI-28681 [1,1,0,0,0,0|1,0,0]=3 992 B10R1.25 C1=CC(=C(C=C1Cl)F)NN PI-50547 [1,1,0,0,0,0|2,0,0]=4 993 B10R1.25 C1=CC(=C(C=C1F)Br)C=O PI-10440 [1,1,0,0,0,0|1,0,0]=3 994 B10R1.25 C1=CC(=C(C=C1F)Cl)C=O PI-28857 [1,1,0,0,0,0|1,0,0]=3 995 B10R1.25 C1=CC(=C(C=C1F)Cl)CN PI-20071 [1,1,0,0,0,0|1,0,1]=4 996 B10R1.25 C1=CC(=C(C=C1F)Cl)NN PI-50545 [1,1,0,0,0,0|2,0,0]=4 997 B10R1.25 C1=CC(=C(C=C1F)F)NN PI-31217 [1,1,0,0,0,0|2,0,0]=4 998 B10R1.25 C1=CC(=C(C=C1F)N)C=O PI-44252 [1,1,0,0,0,0|1,0,0]=3 999 B10R1.25 C1=CC(=C(C=C1F)O)C=O PI-18485 [1,1,0,0,0,0|0,0,0]=2 1000 B10R1.25 C1=CC(=C(C=C1I)Br)C=O PI-26357 [1,1,0,0,0,0|1,0,0]=3 1001 B10R1.25 C1=CC(=C(C=C1I)F)C=O PI-28942 [1,1,0,0,0,0|1,0,0]=3 1002 B10R1.25 C1=CC(=C(C=C1N)N)C=O PI-44093 [1,1,0,0,0,0|1,0,0]=3 1003 B10R1.25 C1=CC(=C(C=C1O)O)CO PI-11751 [1,1,0,0,0,0|0,0,2]=4 1004 B10R1.25 CC1=C(C=CC(=C1)Cl)NN PI-29295 [1,1,0,0,0,0|2,0,0]=4 1005 B10R1.25 CC1=C(C=CC(=C1)F)C=O PI-10459 [1,1,0,0,0,0|1,0,0]=3 1006 B10R1.25 CC1=CC(=C(C=C1)C=O)Br PI-26931 [1,1,0,0,0,0|1,0,0]=3 1007 B10R1.25 CC1=CC(=C(C=C1)C=O)F PI-31460 [1,1,0,0,0,0|1,0,0]=3 1008 B10R1.25 CC1=CC(=C(C=C1)NN)C PI-29747 [1,1,0,0,0,0|2,0,0]=4 1009 B10R1.25 CC1=CC(=C(C=C1)NN)Cl PI-20171 [1,1,0,0,0,0|2,0,0]=4 1010 B10R1.25 CC1=CC(=CN=C1C=O)Br PI-41887 [1,1,0,0,0,0|2,0,0]=4 1011 B10R1.25 CCC1=C(C=C(C=C1)O)O PI-27436 [1,1,0,0,0,0|1,0,1]=4 1012 B10R1.25 COC1=C(C=C(C=C1)F)O PI-34264 [1,1,0,0,0,0|2,0,0]=4 1013 B10R1.25 COC1=C(O)C=C(N)C=C1 PI-27246 [1,1,0,0,0,0|2,0,0]=4 1014 B10R1.25 ClC1=CC(=C(C=O)C=C1)O PI-26343 [1,1,0,0,0,0|0,0,0]=2 1015 B10R1.25 ClC1=NC(=CC=C1C=O)Cl PI-41418 [1,1,0,0,0,0|2,0,0]=4 1016 B10R1.25 FC1=C(C=O)C=CC(=C1)O PI-28419 [1,1,0,0,0,0|1,0,0]=3 1017 B10R1.25 N#Cc1ccc(O)cc1O PI-11750 [1,1,0,0,0,0|0,0,2]=4 1018 B10R1.25 NC1=C(C=O)C=CC(=C1)Br PI-41093 [1,1,0,0,0,0|1,0,0]=3 1019 B10R1.25 NCc1ccc(cc1C)C PI-27988 [1,1,0,0,0,0|1,0,1]=4 1020 B10R1.25 NCc1ccc(cc1F)F PI-28783 [1,1,0,0,0,0|1,0,1]=4 1021 B10R1.25 NNc1ccc(cc1F)F PI-31187 [1,1,0,0,0,0|2,0,0]=4 1022 B10R1.25 O=CC1=CC=C(F)C=C1F PI-16892 [1,1,0,0,0,0|1,0,0]=3 1023 B10R1.25 O=Cc1ccc(Br)cc1F PI-31236 [1,1,0,0,0,0|1,0,0]=3 1024 B10R1.25 O=Cc1ccc(C)cc1O PI-20805 [1,1,0,0,0,0|0,0,0]=2 1025 B10R1.25 O=Cc1ccc(O)cc1Cl PI-10303 [1,1,0,0,0,0|1,0,0]=3 1026 B10R1.25 O=Cc1ccc(O)cc1O PI-11749 [1,1,0,0,0,0|0,0,0]=2 1027 B10R1.25 O=Cc1ccc(cc1Br)Cl PI-36966 [1,1,0,0,0,0|1,0,0]=3 1028 B10R1.25 O=Cc1ccc(cc1C)C PI-27218 [1,1,0,0,0,0|1,0,0]=3 1029 B10R1.25 O=Cc1ccc(cc1C)Cl PI-27562 [1,1,0,0,0,0|1,0,0]=3 1030 B10R1.25 O=Cc1ccc(cc1O)Br PI-26320 [1,1,0,0,0,0|0,0,0]=2 1031 B10R1.25 OC1=CC(=C(C=O)C=C1)C PI-18542 [1,1,0,0,0,0|1,0,0]=3 1032 B10R1.30 C1=C(Br)C=CC(=C1CO)O PI-12023 [1,1,0,0,0,0|0,0,2]=4 1033 B10R1.30 C1=CC(=C(C=C1Br)C=O)Br PI-27892 [1,1,0,0,0,0|1,0,0]=3 1034 B10R1.30 C1=CC(=C(C=C1Br)C=O)Cl PI-33366 [1,1,0,0,0,0|1,0,0]=3 1035 B10R1.30 C1=CC(=C(C=C1Br)C=O)F PI-31330 [1,1,0,0,0,0|1,0,0]=3 1036 B10R1.30 C1=CC(=C(C=C1Br)C=O)O PI-29253 [1,1,0,0,0,0|0,0,0]=2 1037 B10R1.30 C1=CC(=C(C=C1Br)CN)N PI-44072 [1,1,0,0,0,0|1,0,1]=4 1038 B10R1.30 C1=CC(=C(C=C1Cl)C#N)O PI-44911 [1,1,0,0,0,0|0,0,2]=4 1039 B10R1.30 C1=CC(=C(C=C1Cl)C=O)Cl PI-16092 [1,1,0,0,0,0|1,0,0]=3 1040 B10R1.30 C1=CC(=C(C=C1Cl)C=O)F PI-10455 [1,1,0,0,0,0|1,0,0]=3 1041 B10R1.30 C1=CC(=C(C=C1Cl)C=O)O PI-12029 [1,1,0,0,0,0|0,0,0]=2 1042 B10R1.30 C1=CC(=C(C=C1Cl)CO)O PI-12028 [1,1,0,0,0,0|0,0,2]=4 1043 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29450 [1,1,0,0,0,0|2,0,0]=4 1044 B10R1.30 C1=CC(=C(C=C1Cl)NN)Cl PI-29640 [1,1,0,0,0,0|2,0,0]=4 1045 B10R1.30 C1=CC(=C(C=C1F)C=O)Br PI-28896 [1,1,0,0,0,0|1,0,0]=3 1046 B10R1.30 C1=CC(=C(C=C1F)C=O)Cl PI-10456 [1,1,0,0,0,0|1,0,0]=3 1047 B10R1.30 C1=CC(=C(C=C1F)C=O)N PI-44253 [1,1,0,0,0,0|1,0,0]=3 1048 B10R1.30 C1=CC(=C(C=C1F)C=O)O PI-10579 [1,1,0,0,0,0|0,0,0]=2 1049 B10R1.30 C1=CC(=C(C=C1F)CN)F PI-31317 [1,1,0,0,0,0|1,0,1]=4 1050 B10R1.30 C1=CC(=C(C=C1F)NN)Cl PI-50546 [1,1,0,0,0,0|2,0,0]=4 1051 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-10633 [1,1,0,0,0,0|2,0,0]=4 1052 B10R1.30 C1=CC(=C(C=C1F)NN)F PI-21223 [1,1,0,0,0,0|2,0,0]=4 1053 B10R1.30 C1=CC(=C(C=C1I)C=O)F PI-31572 [1,1,0,0,0,0|1,0,0]=3 1054 B10R1.30 C1=CC(=C(C=C1I)C=O)O PI-27272 [1,1,0,0,0,0|0,0,0]=2 1055 B10R1.30 CC1=C(C=C(C=C1)F)C=O PI-10582 [1,1,0,0,0,0|1,0,0]=3 1056 B10R1.30 CC1=C(C=C(C=C1)F)NN PI-10636 [1,1,0,0,0,0|2,0,0]=4 1057 B10R1.30 CC1=CC(=C(C=C1)C)C=O PI-27729 [1,1,0,0,0,0|1,0,0]=3 1058 B10R1.30 CC1=CC(=C(C=C1)C)NN PI-29706 [1,1,0,0,0,0|2,0,0]=4 1059 B10R1.30 CC1=CC(=C(C=C1)F)C=O PI-10457 [1,1,0,0,0,0|1,0,0]=3 1060 B10R1.30 CCC1=C(C=CC(=C1)O)O PI-19340 [1,1,0,0,0,0|1,0,1]=4 1061 B10R1.30 COC1=C(O)C=CC(F)=C1 PI-27601 [1,1,0,0,0,0|2,0,0]=4 1062 B10R1.30 N#Cc1cc(Br)ccc1O PI-21509 [1,1,0,0,0,0|0,0,2]=4 1063 B10R1.30 NCc1cc(Cl)ccc1F PI-20075 [1,1,0,0,0,0|1,0,1]=4 1064 B10R1.30 NNC1=CC(Br)=CC=C1C PI-39726 [1,1,0,0,0,0|2,0,0]=4 1065 B10R1.30 O=CC1=CC(Br)=CC=C1N PI-46730 [1,1,0,0,0,0|1,0,0]=3 1066 B10R1.30 O=Cc1cc(Br)ccc1I PI-26850 [1,1,0,0,0,0|1,0,0]=3 1067 B10R1.30 O=Cc1cc(Br)cnc1F PI-39542 [1,1,0,0,0,0|2,0,0]=4 1068 B10R1.30 O=Cc1cc(C)ccc1O PI-10857 [1,1,0,0,0,0|0,0,0]=2 1069 B10R1.30 O=Cc1cc(Cl)ccc1Br PI-33350 [1,1,0,0,0,0|1,0,0]=3 1070 B10R1.30 O=Cc1cc(Cl)ccc1N PI-18302 [1,1,0,0,0,0|1,0,0]=3 1071 B10R1.30 O=Cc1cc(Cl)cnc1Cl PI-39057 [1,1,0,0,0,0|2,0,0]=4 1072 B10R1.30 O=Cc1cc(F)ccc1F PI-10418 [1,1,0,0,0,0|1,0,0]=3 1073 B10R1.30 O=Cc1cc(O)ccc1Br PI-27441 [1,1,0,0,0,0|1,0,0]=3 1074 B10R1.30 O=Cc1cc(O)ccc1O PI-18118 [1,1,0,0,0,0|0,0,0]=2 1075 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)Cl PI-35930 [1,1,0,0,0,0|1,0,0]=3 1076 B10R1.245 C1=CC(=C(C(=C1)Br)C=O)N PI-40830 [1,1,0,0,0,0|1,0,0]=3 1077 B10R1.245 C1=CC(=C(C(=C1)Cl)NN)Cl PI-29641 [1,1,0,0,0,0|2,0,0]=4 1078 B10R1.245 C1=CC(=C(C(=C1)F)C#N)O PI-10696 [1,1,0,0,0,0|0,0,2]=4 1079 B10R1.245 C1=CC(=C(C(=C1)F)CN)F PI-31271 [1,1,0,0,0,0|1,0,1]=4 1080 B10R1.245 C1=CC(=C(C(=C1)F)CN)N PI-15923 [1,1,0,0,0,0|1,0,1]=4 1081 B10R1.245 C1=CC(=C(C(=C1)I)C=O)F PI-10580 [1,1,0,0,0,0|1,0,0]=3 1082 B10R1.245 CC1=C(C(=CC=C1)C)C=O PI-27082 [1,1,0,0,0,0|1,0,0]=3 1083 B10R1.245 CC1=C(C(=CC=C1)C)NN PI-50511 [1,1,0,0,0,0|2,0,0]=4 1084 B10R1.245 CC1=CC=CC(Cl)=C1C=O PI-27105 [1,1,0,0,0,0|1,0,0]=3 1085 B10R1.245 COC1=C(C=CC=C1O)O PI-19401 [1,1,0,0,0,0|2,0,0]=4 1086 B10R1.245 NCc1c(C)cccc1C PI-39516 [1,1,0,0,0,0|1,0,1]=4 1087 B10R1.245 NCc1c(Cl)cccc1Cl PI-11763 [1,1,0,0,0,0|1,0,1]=4 1088 B10R1.245 NCc1c(F)cccc1Cl PI-20072 [1,1,0,0,0,0|1,0,1]=4 1089 B10R1.245 NNc1c(F)cccc1F PI-10482 [1,1,0,0,0,0|2,0,0]=4 1090 B10R1.245 NNc1c(F)cccc1F PI-10634 [1,1,0,0,0,0|2,0,0]=4 1091 B10R1.245 O=CC1=C(Br)C=NC=C1Br PI-37353 [1,1,0,0,0,0|2,0,0]=4 1092 B10R1.245 O=CC1=C(O)C=CC=C1Br PI-37162 [1,1,0,0,0,0|0,0,0]=2 1093 B10R1.245 O=Cc1c(Br)cccc1Br PI-35931 [1,1,0,0,0,0|1,0,0]=3 1094 B10R1.245 O=Cc1c(Cl)cccc1Cl PI-31780 [1,1,0,0,0,0|1,0,0]=3 1095 B10R1.245 O=Cc1c(Cl)ccnc1Cl PI-39090 [1,1,0,0,0,0|2,0,0]=4 1096 B10R1.245 O=Cc1c(F)cccc1Br PI-28929 [1,1,0,0,0,0|1,0,0]=3 1097 B10R1.245 O=Cc1c(F)cccc1Cl PI-16953 [1,1,0,0,0,0|1,0,0]=3 1098 B10R1.245 O=Cc1c(F)cccc1F PI-28528 [1,1,0,0,0,0|1,0,0]=3 1099 B10R1.245 O=Cc1c(I)ccnc1Cl PI-36812 [1,1,0,0,0,0|2,0,0]=4 1100 B10R1.245 O=Cc1c(I)ccnc1F PI-34989 [1,1,0,0,0,0|2,0,0]=4 1101 B10R1.245 O=Cc1c(O)cccc1Cl PI-27285 [1,1,0,0,0,0|0,0,0]=2 1102 B10R1.245 O=Cc1c(O)cccc1F PI-27539 [1,1,0,0,0,0|0,0,0]=2 1103 B10R1.245 O=Cc1c(O)cccc1O PI-39426 [1,1,0,0,0,0|0,0,0]=2 1104 B10R1.39 COC1=CSC=C1C(=O)N PI-29830 [0,1,0,0,1,0|1,0,0]=3 1105 B10R1.39 COC1=CSC=C1C(=O)O PI-29870 [0,1,0,0,1,0|2,0,0]=4 1106 B10R1.149 COC(=O)c1sccc1O PI-18017 [0,1,0,0,1,0|2,0,0]=4 1107 B10R1.192 CC1=CSC(=C1C(=O)N)N PI-29611 [0,1,0,0,1,0|2,0,0]=4 1108 B10R1.192 NC(=O)N1C(=O)C=CC1=O PI-30488 [0,1,0,0,1,0|1,0,1]=4 1109 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)C#N PI-48354 [0,1,0,0,0,1|2,0,0]=4 1110 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)CCl PI-19992 [0,1,0,0,0,1|2,0,0]=4 1111 B12R1.75 C1=CC=C(C(=C1)CC(=O)O)CN PI-30676 [0,1,0,0,0,1|2,0,0]=4 1112 B12R1.75 CC(=O)CC1=CC=CC=C1OC PI-12199 [0,1,0,0,0,1|1,0,0]=3 1113 B12R1.75 CC(=O)OC1=CC=CC=C1OC PI-26163 [0,1,0,0,0,1|1,0,0]=3 1114 B12R1.75 CC(=O)OC1=CC=CC=C1OC PI-41862 [0,1,0,0,0,1|1,0,0]=3 1115 B12R1.75 CC(N)CC1=CC=CC=C1OC PI-46622 [0,1,0,0,0,1|1,0,1]=4 1116 B12R1.75 CCC1=CC=CC=C1OC(=O)C PI-26541 [0,1,0,0,0,1|2,0,0]=4 1117 B12R1.75 COc1ccccc1CC(=O)O PI-37988 [0,1,0,0,0,1|1,0,0]=3 1118 B12R1.75 NCc1ccccc1CC(=O)O PI-30588 [0,1,0,0,0,1|2,0,0]=4 1119 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)Br)Cl PI-16780 [0,1,0,0,0,1|2,0,0]=4 1120 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Br PI-30383 [0,1,0,0,0,1|2,0,0]=4 1121 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11217 [0,1,0,0,0,1|2,0,0]=4 1122 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-11226 [0,1,0,0,0,1|2,0,0]=4 1123 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)N)Cl PI-13159 [0,1,0,0,0,1|2,0,0]=4 1124 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11222 [0,1,0,0,0,1|2,0,0]=4 1125 B12R1.124 C1=CC=C(C(=C1)C(C(=O)O)O)Cl PI-11225 [0,1,0,0,0,1|2,0,0]=4 1126 B12R1.124 CC(C1=CC=CC=C1Cl)C(=O)O PI-16403 [0,1,0,0,0,1|2,0,0]=4 1127 B12R1.124 OC(=O)C(N)c1ccccc1O PI-36100 [0,1,0,0,0,1|1,0,0]=3 1128 B12R1.124 OC(=O)C(c1ccccc1Br)O PI-12128 [0,1,0,0,0,1|2,0,0]=4 1129 B12R1.124 OC(=O)C(c1ccccc1Cl)O PI-11216 [0,1,0,0,0,1|2,0,0]=4 1130 B12R1.124 OC(=O)C(c1ccccc1F)N PI-17020 [0,1,0,0,0,1|2,0,0]=4 1131 B12R1.124 OC(=O)[C@@H](c1ccccc1F)O PI-36868 [0,1,0,0,0,1|2,0,0]=4 1132 B12R1.127 C1=CC(=C(C=C1Br)CC(=O)O)F PI-30966 [0,1,0,0,0,1|2,0,0]=4 1133 B12R1.127 C1=CC(=C(C=C1F)CC(=O)O)Br PI-35231 [0,1,0,0,0,1|2,0,0]=4 1134 B12R1.127 C1=CC(=C(C=C1F)NC(=S)N)F PI-21234 [0,1,0,0,0,1|1,1,0]=4 1135 B12R1.127 CC(=O)Nc1cc(Cl)ccc1O PI-35020 [0,1,0,0,0,1|1,0,0]=3 1136 B12R1.127 CC1=C(C=C(C=C1)F)NC(=S)N PI-29189 [0,1,0,0,0,1|1,1,0]=4 1137 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)Cl PI-46967 [0,1,0,0,0,1|2,0,0]=4 1138 B12R1.127 CC1=CC(=C(C=C1)C)CC(=O)O PI-30128 [0,1,0,0,0,1|2,0,0]=4 1139 B12R1.127 CC1=CC(=C(C=C1)O)NC(=O)C PI-27815 [0,1,0,0,0,1|1,0,0]=3 1140 B12R1.127 Cc1ccc(C)cc1NC(=S)N PI-23971 [0,1,0,0,0,1|1,1,0]=4 1141 B12R1.127 Cc1ccc(F)cc1CC(=O)O PI-23762 [0,1,0,0,0,1|2,0,0]=4 1142 B12R1.127 OC(=O)Cc1cc(Cl)ccc1Br PI-20652 [0,1,0,0,0,1|2,0,0]=4 1143 B12R1.127 OC(=O)Cc1cc(F)ccc1F PI-13374 [0,1,0,0,0,1|2,0,0]=4 1144 B12R1.127 OC(=O)Cc1cc(O)ccc1O PI-30631 [0,1,0,0,0,1|1,0,0]=3 1145 B12R1.224 C1=CC(=C(C(=C1)F)F)CC(=O)O PI-21212 [0,1,0,0,0,1|2,0,0]=4 1146 B12R1.224 Cc1c(CC(=O)O)cccc1C PI-13241 [0,1,0,0,0,1|2,0,0]=4 1147 B12R1.233 C1=CC(=C(C=C1Cl)Cl)CC(=O)O PI-11746 [0,1,0,0,0,1|2,0,0]=4 1148 B12R1.233 C1=CC(=C(C=C1F)Br)CC(=O)O PI-44979 [0,1,0,0,0,1|2,0,0]=4 1149 B12R1.233 C1=CC(=C(C=C1F)Cl)CC(=O)O PI-30228 [0,1,0,0,0,1|2,0,0]=4 1150 B12R1.233 C1=CC(=C(C=C1F)F)NC(=S)N PI-21233 [0,1,0,0,0,1|1,1,0]=4 1151 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)F PI-28379 [0,1,0,0,0,1|2,0,0]=4 1152 B12R1.233 CC(=O)NC1=C(C=C(C=C1)Br)I PI-50165 [0,1,0,0,0,1|2,0,0]=4 1153 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)Br PI-28019 [0,1,0,0,0,1|2,0,0]=4 1154 B12R1.233 CC(=O)NC1=C(C=C(C=C1)F)F PI-34148 [0,1,0,0,0,1|2,0,0]=4 1155 B12R1.233 CC(=O)NC1=C(C=C(C=C1)N)Cl PI-37796 [0,1,0,0,0,1|2,0,0]=4 1156 B12R1.233 CC1=C(C=CC(=C1)Cl)NC(=O)C PI-20149 [0,1,0,0,0,1|2,0,0]=4 1157 B12R1.233 CC1=CC(=C(C=C1)CC(=O)O)C PI-11754 [0,1,0,0,0,1|2,0,0]=4 1158 B12R1.233 CC1=CC(=C(C=C1)NC(=S)N)C PI-23969 [0,1,0,0,0,1|1,1,0]=4 1159 B12R1.233 OC(=O)Cc1ccc(cc1Br)Cl PI-38895 [0,1,0,0,0,1|2,0,0]=4 1160 B12R1.233 OC(=O)Cc1ccc(cc1F)Br PI-35230 [0,1,0,0,0,1|2,0,0]=4 1161 B12R1.233 OC(=O)Cc1ccc(cc1F)F PI-13373 [0,1,0,0,0,1|2,0,0]=4 1162 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)Cl PI-50255 [0,1,0,0,0,1|1,0,0]=3 1163 B12R1.371 C1=CC=C(C(=C1)CC(=O)NN)F PI-50405 [0,1,0,0,0,1|1,0,0]=3 1164 B12R1.371 C1=CC=C(C(=C1)NC(=S)NN)F PI-29541 [0,1,0,0,0,1|1,1,0]=4 1165 B12R1.371 CC1=CC=CC=C1CC(=O)OC PI-50422 [0,1,0,0,0,1|2,0,0]=4 1166 B12R1.371 CC1=CC=CC=C1NC(=S)NN PI-29766 [0,1,0,0,0,1|1,1,0]=4 1167 B12R1.371 COC(=O)CC1=CC=CC=C1Cl PI-30731 [0,1,0,0,0,1|2,0,0]=4 1168 B12R1.371 COC(=O)CC1=CC=CC=C1F PI-30730 [0,1,0,0,0,1|2,0,0]=4 1169 B12R1.371 COC(=O)CC1=CC=CC=C1O PI-50540 [0,1,0,0,0,1|1,0,0]=3 1170 B12R1.371 COC(=O)Cc1ccccc1Br PI-26756 [0,1,0,0,0,1|2,0,0]=4 1171 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=N)N)Cl PI-21062 [0,1,0,0,0,1|2,0,0]=4 1172 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)Cl PI-21063 [0,1,0,0,0,1|2,0,0]=4 1173 B12R1.1009 C1=CC(=C(C(=C1)Cl)CC(=O)O)F PI-30548 [0,1,0,0,0,1|2,0,0]=4 1174 B12R1.1009 C1=CC(=C(C(=C1)F)CC(=O)O)F PI-13376 [0,1,0,0,0,1|2,0,0]=4 1175 B12R1.1009 CC(=O)NC1=C(C=CC=C1F)F PI-34150 [0,1,0,0,0,1|2,0,0]=4 1176 B12R1.1009 NC(=S)Nc1c(C)cccc1C PI-23970 [0,1,0,0,0,1|1,1,0]=4 1177 B12R1.46 C1=CC(=C(C=C1Br)[N+](=O)[O-])CO PI-26328 [0,2,0,0,0,0|2,0,0]=4 1178 B12R1.46 C1=CC(=C(C=C1Cl)[N+](=O)[O-])CO PI-26327 [0,2,0,0,0,0|2,0,0]=4 1179 B12R1.46 CC(=O)C1=C(C=CC(=C1)Cl)OC PI-30816 [0,2,0,0,0,0|1,0,0]=3 1180 B12R1.46 CC(=O)C1=C(C=CC(=C1)F)OC PI-30626 [0,2,0,0,0,0|1,0,0]=3 1181 B12R1.46 CC1=CC(=C(C=C1)OC)C(=O)O PI-31512 [0,2,0,0,0,0|1,0,0]=3 1182 B12R1.46 CC1=CC(=C(C=C1)OC)[N+](=O)[O-] PI-26076 [0,2,0,0,0,0|2,0,0]=4 1183 B12R1.46 COC1=C(C=C(C=C1)Br)[N+](=O)[O-] PI-22192 [0,2,0,0,0,0|2,0,0]=4 1184 B12R1.46 COC1=C(C=C(C=C1)Cl)C(=O)Cl PI-12024 [0,2,0,0,0,0|1,0,0]=3 1185 B12R1.46 COC1=C(C=C(C=C1)Cl)[N+](=O)[O-] PI-29964 [0,2,0,0,0,0|2,0,0]=4 1186 B12R1.46 COC1=C(C=C(C=C1)F)[N+](=O)[O-] PI-10733 [0,2,0,0,0,0|2,0,0]=4 1187 B12R1.46 COC1=C(C=C(C=C1)I)[N+](=O)[O-] PI-29658 [0,2,0,0,0,0|2,0,0]=4 1188 B12R1.46 COC1=C(C=C(C=C1)N)[N+](=O)[O-] PI-26760 [0,2,0,0,0,0|2,0,0]=4 1189 B12R1.46 COC1=C(C=C(C=N1)Br)C(=O)O PI-26734 [0,2,0,0,0,0|2,0,0]=4 1190 B12R1.46 COc1ccc(Br)cc1C(=O)C PI-21551 [0,2,0,0,0,0|1,0,0]=3 1191 B12R1.46 COc1ccc(Cl)cc1C(=O)O PI-33462 [0,2,0,0,0,0|1,0,0]=3 1192 B12R1.57 C1=CC(=C(C=C1Cl)CO)[N+](=O)[O-] PI-26874 [0,2,0,0,0,0|2,0,0]=4 1193 B12R1.57 C1=CC(=C(C=C1O)CO)[N+](=O)[O-] PI-26784 [0,2,0,0,0,0|2,0,0]=4 1194 B12R1.57 CC(=O)C1=C(C=C(C=C1)F)OC PI-27655 [0,2,0,0,0,0|1,0,0]=3 1195 B12R1.57 CC1=CC(=C(C=C1)[N+](=O)[O-])CO PI-26837 [0,2,0,0,0,0|2,0,0]=4 1196 B12R1.57 COC1=C(C=CC(=C1)O)[N+](=O)[O-] PI-43287 [0,2,0,0,0,0|2,0,0]=4 1197 B12R1.57 COc1cc(C)ccc1C(=O)O PI-36551 [0,2,0,0,0,0|1,0,0]=3 1198 B12R1.57 COc1cc(C)ccc1[N+](=O)[O-] PI-29537 [0,2,0,0,0,0|2,0,0]=4 1199 B12R1.57 COc1cc(Cl)ccc1C(=O)O PI-28661 [0,2,0,0,0,0|1,0,0]=3 1200 B12R1.57 COc1cc(Cl)ccc1[N+](=O)[O-] PI-29835 [0,2,0,0,0,0|2,0,0]=4 1201 B12R1.57 COc1cc(F)ccc1[N+](=O)[O-] PI-34510 [0,2,0,0,0,0|2,0,0]=4 1202 B12R1.76 C1=CC=C(C(=C1)C#N)S(=O)(=O)N PI-34253 [0,2,0,0,0,0|2,0,0]=4 1203 B12R1.76 O=S(C1=CC=CC=C1OC)(Cl)=O PI-40965 [0,2,0,0,0,0|2,0,0]=4 1204 B12R1.77 BrCC(=O)c1ccccc1OC PI-21566 [0,2,0,0,0,0|1,0,0]=3 1205 B12R1.77 C1=CC=C(C(=C1)C#N)C(=O)NN PI-50324 [0,2,0,0,0,0|1,0,0]=3 1206 B12R1.77 CNC1=CC=CC=C1C(=O)OC PI-50463 [0,2,0,0,0,0|2,0,0]=4 1207 B12R1.77 COC(=O)C1=CC=CC=C1C#C PI-46520 [0,2,0,0,0,0|2,0,0]=4 1208 B12R1.77 COC(=O)C1=CC=CC=C1C#N PI-50472 [0,2,0,0,0,0|2,0,0]=4 1209 B12R1.77 COC(=O)C1=CC=CC=C1C=O PI-27575 [0,2,0,0,0,0|1,0,1]=4 1210 B12R1.77 COC(=O)C1=CC=CC=C1CCl PI-46951 [0,2,0,0,0,0|2,0,0]=4 1211 B12R1.77 COC(=O)c1ccccc1CBr PI-15370 [0,2,0,0,0,0|2,0,0]=4 1212 B12R1.77 COC(=O)c1ccccc1CN PI-23083 [0,2,0,0,0,0|2,0,0]=4 1213 B12R1.77 COC(=O)c1ccccc1CO PI-36343 [0,2,0,0,0,0|1,0,0]=3 1214 B12R1.77 COC1=CC=CC=C1C(=O)CO PI-30335 [0,2,0,0,0,0|1,0,0]=3 1215 B12R1.77 COC1=CC=CC=C1C(=O)NN PI-29896 [0,2,0,0,0,0|0,0,0]=2 1216 B12R1.77 COC1=CC=CC=C1C(=O)OC PI-50275 [0,2,0,0,0,0|1,0,0]=3 1217 B12R1.77 N#CC(N)c1ccccc1OC PI-36098 [0,2,0,0,0,0|1,0,1]=4 1218 B12R1.87 C1=CC(=C(C(=C1)Cl)CO)[N+](=O)[O-] PI-26691 [0,2,0,0,0,0|2,0,0]=4 1219 B12R1.87 COC1=C(C=CC=C1Br)[N+](=O)[O-] PI-39798 [0,2,0,0,0,0|2,0,0]=4 1220 B12R1.87 COC1=C(C=CC=C1F)[N+](=O)[O-] PI-29621 [0,2,0,0,0,0|2,0,0]=4 1221 B12R1.87 COC1=C(C=CC=C1I)C(=O)O PI-48048 [0,2,0,0,0,0|1,0,0]=3 1222 B12R1.87 COC1=C(C=CN=C1C(=O)O)Cl PI-34876 [0,2,0,0,0,0|2,0,0]=4 1223 B12R1.261 B(C1=CC=CC=C1C(=O)C)(O)O PI-25426 [0,2,0,0,0,0|1,0,0]=3 1224 B12R1.261 B(C1=CC=CC=C1C(=O)N)(O)O PI-25519 [0,2,0,0,0,0|0,0,0]=2 1225 B12R1.261 B(C1=CC=CC=C1[N+](=O)[O-])(O)O PI-25674 [0,2,0,0,0,0|2,0,0]=4 1226 B12R1.261 C1=CC(=C(N=C1)C(=O)O)C(=O)O PI-49438 [0,2,0,0,0,0|2,0,0]=4 1227 B12R1.261 C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-] PI-17814 [0,2,0,0,0,0|1,0,1]=4 1228 B12R1.261 C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-] PI-50446 [0,2,0,0,0,0|1,0,1]=4 1229 B12R1.261 C1=CC=C(C(=C1)C(=O)[O-])[N+](=O)[O-] PI-20687 [0,2,0,0,0,0|1,0,1]=4 1230 B12R1.261 C1=CN=CC(=C1C(=O)O)C(=O)O PI-23205 [0,2,0,0,0,0|2,0,0]=4 1231 B12R1.261 CC(=O)C1=C(C=CC=N1)C(=O)O PI-12191 [0,2,0,0,0,0|2,0,0]=4 1232 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)C PI-29862 [0,2,0,0,0,0|1,0,1]=4 1233 B12R1.261 CC(=O)C1=CC=CC=C1C(=O)O PI-29712 [0,2,0,0,0,0|1,0,0]=3 1234 B12R1.261 O=C(C1=NC=CC=C1C(O)=O)O PI-16406 [0,2,0,0,0,0|2,0,0]=4 1235 B12R1.261 OC(=O)c1ccccc1B(O)O PI-11571 [0,2,0,0,0,0|1,0,0]=3 1236 B12R1.261 OC(=O)c1ccccc1N(C)C PI-29754 [0,2,0,0,0,0|2,0,0]=4 1237 B12R1.261 [O-][N+](=O)c1ccccc1C(=O)C PI-12212 [0,2,0,0,0,0|1,0,1]=4 1238 B12R1.283 C1=CC=C(C(=C1)C=NO)[N+](=O)[O-] PI-18808 [0,2,0,0,0,0|2,0,0]=4 1239 B12R1.283 C1=CC=C(C(=C1)CC#N)C(=O)O PI-18806 [0,2,0,0,0,0|2,0,0]=4 1240 B12R1.283 C1=CC=C(C(=C1)CCO)[N+](=O)[O-] PI-48544 [0,2,0,0,0,0|2,0,0]=4 1241 B12R1.283 CCOC1=CC=CC=C1C(=O)C PI-22025 [0,2,0,0,0,0|1,0,0]=3 1242 B12R1.283 CCOC1=CC=CC=C1C(=O)Cl PI-31759 [0,2,0,0,0,0|1,0,0]=3 1243 B12R1.283 CCOC1=CC=CC=C1C(=O)O PI-11840 [0,2,0,0,0,0|1,0,0]=3 1244 B12R1.437 CC1=C(C(=CC=C1)CBr)C(=O)Br PI-32366 [0,2,0,0,0,0|2,0,0]=4 1245 B12R1.437 CC1=C(C(=CC=C1)CO)[N+](=O)[O-] PI-26919 [0,2,0,0,0,0|2,0,0]=4 1246 B12R1.437 CC1=C(C(=CC=C1)OC)[N+](=O)[O-] PI-10565 [0,2,0,0,0,0|2,0,0]=4 1247 B12R1.437 COC1=C(C(=CC=C1)F)C(=O)O PI-18169 [0,2,0,0,0,0|1,0,0]=3 1248 B12R1.437 COc1cccc(C)c1C(=O)O PI-35807 [0,2,0,0,0,0|1,0,0]=3 1249 B12R1.437 COc1cccc(O)c1C(=O)C PI-29860 [0,2,0,0,0,0|1,0,0]=3 1250 B12R1.437 COc1cccc(O)c1C(=O)O PI-27469 [0,2,0,0,0,0|1,0,0]=3 1251 B12R1.126 Brc1ccc(c(c1)Cl)S(=O)(=O)N PI-38909 [0,2,0,0,0,0|2,0,0]=4 1252 B12R1.126 Brc1ccc(c(c1)F)S(=O)(=O)N PI-33686 [0,2,0,0,0,0|2,0,0]=4 1253 B12R1.126 C1=CC(=C(C=C1F)Br)S(=O)(=O)N PI-21436 [0,2,0,0,0,0|2,0,0]=4 1254 B12R1.126 C1=CC(=C(C=C1F)F)S(=O)(=O)N PI-35262 [0,2,0,0,0,0|2,0,0]=4 1255 B12R1.126 CC1=C(C=CC(=C1)F)S(=O)(=O)N PI-19645 [0,2,0,0,0,0|2,0,0]=4 1256 B12R1.126 O=S(C1=CC=C(C)C=C1O)(O)=O PI-40326 [0,2,0,0,0,0|2,0,0]=4 1257 B12R1.128 C1=CC(=C(C=C1F)S(=O)(=O)N)F PI-21128 [0,2,0,0,0,0|2,0,0]=4 1258 B12R1.1010 C1=CC(=C(C(=C1)F)S(=O)(=O)N)F PI-33701 [0,2,0,0,0,0|2,0,0]=4 1259 B12R1.894 C1=CC(=C(C(=C1F)C(=O)Cl)Cl)F PI-20036 [0,2,0,0,0,0|2,0,0]=4 1260 B12R1.894 C1=CC(=C(C(=C1F)C(=O)Cl)F)Cl PI-17449 [0,2,0,0,0,0|2,0,0]=4 1261 B12R1.894 C1=CC(=C(C(=C1F)C(=O)O)Cl)F PI-20033 [0,2,0,0,0,0|2,0,0]=4 1262 B12R1.894 C1=CC(=C(C(=C1F)C(=O)O)F)Cl PI-20035 [0,2,0,0,0,0|2,0,0]=4 1263 B12R1.894 C1=CC(=C(C(=C1F)C(=O)O)F)F PI-16076 [0,2,0,0,0,0|2,0,0]=4 1264 B12R1.894 C1=CC(=C(C(=C1F)Cl)C(=O)Cl)Cl PI-33643 [0,2,0,0,0,0|2,0,0]=4 1265 B12R1.894 C1=CC(=C(C(=C1N)F)C(=O)O)F PI-34458 [0,2,0,0,0,0|2,0,0]=4 1266 B12R1.894 CC(=O)C1=C(C=CC(=C1F)Cl)F PI-20026 [0,2,0,0,0,0|2,0,0]=4 1267 B12R1.894 CC(=O)C1=C(C=CC(=C1F)F)F PI-29328 [0,2,0,0,0,0|2,0,0]=4 1268 B12R1.894 CC(=O)c1c(Cl)ccc(F)c1Cl PI-16491 [0,2,0,0,0,0|2,0,0]=4 1269 B12R1.894 CC(C1=C(F)C=CC(C)=C1Cl)=O PI-40481 [0,2,0,0,0,0|2,0,0]=4 1270 B12R1.894 CC1=C(C(=C(C=C1)C)C(=O)C)C PI-29682 [0,2,0,0,0,0|2,0,0]=4 1271 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)Cl)F PI-20099 [0,2,0,0,0,0|2,0,0]=4 1272 B12R1.894 CC1=C(C(=C(C=C1)Cl)C(=O)O)F PI-20097 [0,2,0,0,0,0|2,0,0]=4 1273 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)Cl)Cl PI-20098 [0,2,0,0,0,0|2,0,0]=4 1274 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)Cl)F PI-21202 [0,2,0,0,0,0|2,0,0]=4 1275 B12R1.894 CC1=C(C(=C(C=C1)F)C(=O)O)Cl PI-20096 [0,2,0,0,0,0|2,0,0]=4 1276 B12R1.894 Clc1ccc(Cl)c(C(=O)O)c1N PI-30449 [0,2,0,0,0,0|2,0,0]=4 1277 B12R1.894 O=C(O)C1=C(F)C=CC(I)=C1F PI-34286 [0,2,0,0,0,0|2,0,0]=4 1278 B12R1.894 OC(=O)c1c(Br)ccc(c1F)F PI-39309 [0,2,0,0,0,0|2,0,0]=4 1279 B12R1.894 OC(=O)c1c(Cl)ccc(F)c1Cl PI-10219 [0,2,0,0,0,0|2,0,0]=4 1280 B12R1.1000 C1=C(C=C(C(=C1Br)C(=O)O)Br)Br PI-47141 [0,2,0,0,0,0|2,0,0]=4 1281 B12R1.1000 C1=C(C=C(C(=C1Cl)C(=O)Cl)Cl)Cl PI-32962 [0,2,0,0,0,0|2,0,0]=4 1282 B12R1.1000 C1=C(C=C(C(=C1Cl)C(=O)O)Cl)Cl PI-31210 [0,2,0,0,0,0|2,0,0]=4 1283 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)N)F)F PI-30947 [0,2,0,0,0,0|1,0,0]=3 1284 B12R1.1000 C1=C(C=C(C(=C1F)C(=O)O)F)Br PI-28222 [0,2,0,0,0,0|2,0,0]=4 1285 B12R1.1000 C1=C(C=C(C(=C1O)[N+](=O)[O-])F)F PI-34512 [0,2,0,0,0,0|2,0,0]=4 1286 B12R1.1000 C1=C(C=C(C(=C1O)[N+](=O)[O-])O)F PI-34513 [0,2,0,0,0,0|2,0,0]=4 1287 B12R1.1000 CC(=O)C1=C(C)C=C(C)C=C1C PI-29186 [0,2,0,0,0,0|2,0,0]=4 1288 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PI-11028 [0,2,0,0,0,0|1,0,0]=3 1289 B12R1.1000 CC(=O)C1=C(C=C(C=C1O)O)O PI-30377 [0,2,0,0,0,0|1,0,0]=3 1290 B12R1.1000 CC1=CC(=C(C(=C1)C)C(=O)O)C PI-31205 [0,2,0,0,0,0|2,0,0]=4 1291 B12R1.1000 CC1=CC(=C(C(=C1)O)C(=O)O)O PI-19639 [0,2,0,0,0,0|1,0,0]=3 1292 B12R1.1000 CC1=CC(=C(C(=O)O1)C(=O)C)O PI-15821 [0,2,0,0,0,0|2,0,0]=4 1293 B12R1.1000 CC1=CC(=CC(=C1C(=O)N)Cl)Cl PI-21052 [0,2,0,0,0,0|1,0,0]=3 1294 B12R1.1000 CC1=CC(=CC(=C1C(=O)O)C)O PI-34840 [0,2,0,0,0,0|2,0,0]=4 1295 B12R1.1000 CC1=CC(=NC(=C1C(=O)N)Cl)Cl PI-21054 [0,2,0,0,0,0|2,0,0]=4 1296 B12R1.1000 CC1=CC(=NC(=C1C(=O)N)N)C PI-14084 [0,2,0,0,0,0|2,0,0]=4 1297 B12R1.1000 Cc1cc(C)c(C(=O)Cl)c(C)c1 PI-12137 [0,2,0,0,0,0|2,0,0]=4 1298 B12R1.1000 Fc1cc(F)c(C(=O)O)c(F)c1 PI-16079 [0,2,0,0,0,0|2,0,0]=4 1299 B12R1.1000 O=C(O)C1=C(O)C=C(O)C=C1O PI-37375 [0,2,0,0,0,0|1,0,0]=3 1300 B12R1.1000 Oc1cc(F)c(C(=O)O)c(F)c1 PI-28272 [0,2,0,0,0,0|2,0,0]=4 1301 B12R1.1000 Oc1cc(O)cc(c1[N+](=O)[O-])O PI-30197 [0,2,0,0,0,0|2,0,0]=4 1302 B12R1.3441 BrC1=C(C(=O)OC)C(=CC=C1)C PI-40797 [0,2,0,0,0,0|2,0,0]=4 1303 B12R1.3441 C1=CC(=C(C(=C1)Cl)C(=O)CBr)Cl PI-21603 [0,2,0,0,0,0|2,0,0]=4 1304 B12R1.3441 C1=CC(=C(C(=C1)F)C(=O)CBr)F PI-28642 [0,2,0,0,0,0|2,0,0]=4 1305 B12R1.3441 C1=CC(=C(C(=C1)F)C(=O)NN)F PI-50308 [0,2,0,0,0,0|1,0,0]=3 1306 B12R1.3441 COC(=O)C1=C(C=CC=C1Br)N PI-35916 [0,2,0,0,0,0|2,0,0]=4 1307 B12R1.3441 COC(=O)C1=C(C=CC=C1Cl)Cl PI-50416 [0,2,0,0,0,0|2,0,0]=4 1308 B12R1.3441 COC(=O)C1=C(C=CC=C1F)F PI-50306 [0,2,0,0,0,0|2,0,0]=4 1309 B12R1.3441 COC(=O)C1=C(C=CC=C1F)O PI-44540 [0,2,0,0,0,0|1,0,0]=3 1310 B12R1.3441 COC(=O)C1=C(C=CC=C1O)O PI-46968 [0,2,0,0,0,0|1,0,0]=3 1311 B12R1.24 C1=CC(=C(C(=C1)Cl)Cl)C(=NO)N PI-21003 [0,2,0,0,0,0|1,0,1]=4 1312 B12R1.24 C1=CC(=C(C(=C1)Cl)Cl)C(=O)C#N PI-12595 [0,2,0,0,0,0|1,0,1]=4 1313 B12R1.24 CC1=C(C(=CC=C1)C(=O)NN)O PI-20806 [0,2,0,0,0,0|0,0,0]=2 1314 B12R1.24 CC1=C(C(=CC=C1)C(=O)OC)N PI-31514 [0,2,0,0,0,0|2,0,0]=4 1315 B12R1.24 CC1=C(C=CC=C1Br)C(=O)NN PI-50522 [0,2,0,0,0,0|1,0,0]=3 1316 B12R1.24 CC1=C(C=CC=C1O)C(=O)OC PI-50569 [0,2,0,0,0,0|2,0,0]=4 1317 B12R1.24 CCC(=O)C1=C(C(=CC=C1)F)F PI-21239 [0,2,0,0,0,0|2,0,0]=4 1318 B12R1.24 COC(=O)C1=C(C(=CC=C1)Br)N PI-35914 [0,2,0,0,0,0|2,0,0]=4 1319 B12R1.24 COC(=O)C1=C(C(=CC=C1)Cl)N PI-11518 [0,2,0,0,0,0|2,0,0]=4 1320 B12R1.24 COC(=O)c1cccc(c1N)N PI-36775 [0,2,0,0,0,0|2,0,0]=4 1321 B12R1.24 COC(=O)c1cccc(c1N)O PI-38626 [0,2,0,0,0,0|2,0,0]=4 1322 B12R1.24 COC(=O)c1cccc(c1O)O PI-39003 [0,2,0,0,0,0|1,0,0]=3 1323 B12R1.24 Cc1c(cccc1N)C(=O)OC PI-16129 [0,2,0,0,0,0|2,0,0]=4 1324 B12R1.440 C1=CC(=C(C(=C1)C(=O)O)N)C=O PI-27422 [0,2,0,0,0,0|2,0,0]=4 1325 B12R1.440 CC1=C(C=CC=C1OC)C(=O)O PI-11935 [0,2,0,0,0,0|2,0,0]=4 1326 B12R1.440 CNC1=CC=CC(=C1O)C(=O)O PI-43053 [0,2,0,0,0,0|1,0,0]=3 1327 B12R1.440 COC1=CC=CC(=C1N)C(=O)O PI-30469 [0,2,0,0,0,0|2,0,0]=4 1328 B12R1.440 COC1=CC=CC(=C1O)C(=O)O PI-16106 [0,2,0,0,0,0|1,0,0]=3 1329 B12R1.440 COc1cccc(c1Br)C(=O)O PI-39348 [0,2,0,0,0,0|2,0,0]=4 1330 B12R1.440 O=C(Cl)C1=CC=CC(OC)=C1C PI-37995 [0,2,0,0,0,0|2,0,0]=4 1331 B12R1.440 O=Cc1cccc(c1O)[N+](=O)[O-] PI-18626 [0,2,0,0,0,0|2,0,0]=4 1332 B12R1.511 C1=C(C=C(C(=C1C(=O)Cl)O)I)I PI-31884 [0,2,0,0,0,0|1,0,0]=3 1333 B12R1.511 C1=C(C=C(C(=C1C(=O)O)Cl)Cl)Cl PI-27648 [0,2,0,0,0,0|2,0,0]=4 1334 B12R1.511 C1=C(C=C(C(=C1C(=O)O)Cl)N)Cl PI-24093 [0,2,0,0,0,0|2,0,0]=4 1335 B12R1.511 C1=C(C=C(C(=C1C(=O)O)F)F)F PI-31256 [0,2,0,0,0,0|2,0,0]=4 1336 B12R1.511 C1=C(C=C(C(=C1C(=O)O)N)Br)Br PI-30765 [0,2,0,0,0,0|2,0,0]=4 1337 B12R1.511 C1=C(C=C(C(=C1C(=O)O)N)I)I PI-30766 [0,2,0,0,0,0|2,0,0]=4 1338 B12R1.511 C1=C(C=C(C(=C1C(=O)O)O)Br)Br PI-27468 [0,2,0,0,0,0|1,0,0]=3 1339 B12R1.511 C1=C(C=C(C(=C1C(=O)O)O)I)I PI-31883 [0,2,0,0,0,0|1,0,0]=3 1340 B12R1.511 C1=C(C=C(C(=C1Cl)O)[N+](=O)[O-])Cl PI-42098 [0,2,0,0,0,0|2,0,0]=4 1341 B12R1.511 C1=C(C=C(C(=C1[N+](=O)[O-])O)F)Br PI-14448 [0,2,0,0,0,0|2,0,0]=4 1342 B12R1.511 C1=C(C=C(C(=C1[N+](=O)[O-])O)F)F PI-29516 [0,2,0,0,0,0|2,0,0]=4 1343 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Br)Br)O PI-30333 [0,2,0,0,0,0|1,0,0]=3 1344 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Br)O PI-30753 [0,2,0,0,0,0|1,0,0]=3 1345 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Cl)F PI-28571 [0,2,0,0,0,0|2,0,0]=4 1346 B12R1.511 CC(=O)C1=C(C(=CC(=C1)Cl)Cl)O PI-15408 [0,2,0,0,0,0|1,0,0]=3 1347 B12R1.511 CC(=O)C1=C(C(=CC(=C1)F)F)O PI-29133 [0,2,0,0,0,0|1,0,0]=3 1348 B12R1.511 CC1=C(C=C(C=C1F)F)C(=O)O PI-34482 [0,2,0,0,0,0|2,0,0]=4 1349 B12R1.511 CC1=C(C=C(C=C1N)Br)C(=O)O PI-47174 [0,2,0,0,0,0|2,0,0]=4 1350 B12R1.511 CC1=CC(=C(C(=C1)Br)N)C(=O)O PI-30110 [0,2,0,0,0,0|2,0,0]=4 1351 B12R1.511 CC1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] PI-22156 [0,2,0,0,0,0|2,0,0]=4 1352 B12R1.511 CC1=CC(=C(C(=C1)F)F)C(=O)O PI-34479 [0,2,0,0,0,0|2,0,0]=4 1353 B12R1.511 CC1=CC(=C(C(=C1)I)O)[N+](=O)[O-] PI-29849 [0,2,0,0,0,0|2,0,0]=4 1354 B12R1.511 CC1=CC(=C(C(=C1)N)O)C(=O)C PI-15951 [0,2,0,0,0,0|1,0,0]=3 1355 B12R1.511 CC1=CC(=C(C(=C1)[N+](=O)[O-])O)C PI-27177 [0,2,0,0,0,0|2,0,0]=4 1356 B12R1.511 CC1=CC(=CC(=C1F)C(=O)O)F PI-34481 [0,2,0,0,0,0|2,0,0]=4 1357 B12R1.511 CC1=CC(=CC(=C1N)C(=O)N)Br PI-48684 [0,2,0,0,0,0|1,0,0]=3 1358 B12R1.511 CC1=CC(=CC(=C1N)C(=O)O)Br PI-35864 [0,2,0,0,0,0|2,0,0]=4 1359 B12R1.511 CC1=CC(=CC(=C1N)C(=O)O)Cl PI-10075 [0,2,0,0,0,0|2,0,0]=4 1360 B12R1.511 CC1=CC(=CC(=C1O)C(=O)O)Br PI-14455 [0,2,0,0,0,0|1,0,0]=3 1361 B12R1.511 Cc1cc(C)c(N)c(c1)C(=O)O PI-10077 [0,2,0,0,0,0|2,0,0]=4 1362 B12R1.511 Cc1cc(C)c(c(c1)C(=O)C)O PI-23854 [0,2,0,0,0,0|1,0,0]=3 1363 B12R1.511 Cc1cc(C)c(c(c1)C(=O)C)O PI-38914 [0,2,0,0,0,0|1,0,0]=3 1364 B12R1.511 Clc1cc(Cl)c(c(c1)C(=O)O)N PI-10925 [0,2,0,0,0,0|2,0,0]=4 1365 B12R1.511 Fc1cc(F)c(c(c1)C(=O)O)Br PI-39333 [0,2,0,0,0,0|2,0,0]=4 1366 B12R1.511 O=C(O)C1=CC(Br)=CC(F)=C1N PI-42637 [0,2,0,0,0,0|2,0,0]=4 1367 B12R1.511 OC(=O)C1=C(I)C(I)=CC(I)=C1 PI-12207 [0,2,0,0,0,0|2,0,0]=4 1368 B12R1.511 OC1=C([N+]([O-])=O)C=C(F)C=C1Br PI-29477 [0,2,0,0,0,0|2,0,0]=4 1369 B12R1.893 C1=CC(=C(C(=C1C(=O)Cl)F)Cl)F PI-20037 [0,2,0,0,0,0|2,0,0]=4 1370 B12R1.893 C1=CC(=C(C(=C1C(=O)N)F)F)F PI-30289 [0,2,0,0,0,0|1,0,0]=3 1371 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)Cl)F PI-20034 [0,2,0,0,0,0|2,0,0]=4 1372 B12R1.893 C1=CC(=C(C(=C1C(=O)O)F)F)O PI-34339 [0,2,0,0,0,0|2,0,0]=4 1373 B12R1.893 C1=CC(=C(C(=C1C(=O)O)O)O)O PI-27783 [0,2,0,0,0,0|1,0,0]=3 1374 B12R1.893 C1=CC(=C(C(=C1[N+](=O)[O-])O)F)F PI-31313 [0,2,0,0,0,0|2,0,0]=4 1375 B12R1.893 CC(=O)C1=C(C(=C(C=C1)Cl)Cl)Cl PI-12808 [0,2,0,0,0,0|2,0,0]=4 1376 B12R1.893 CC(=O)C1=C(C(=C(C=C1)O)O)O PI-29660 [0,2,0,0,0,0|1,0,0]=3 1377 B12R1.893 CC1=C(C(=C(C=C1)C(=O)Cl)F)F PI-21201 [0,2,0,0,0,0|2,0,0]=4 1378 B12R1.893 CC1=C(C=CC(=C1O)C(=O)C)O PI-29030 [0,2,0,0,0,0|1,0,0]=3 1379 B12R1.893 NC1=C(C=CC(F)=C1F)C(O)=O PI-41759 [0,2,0,0,0,0|2,0,0]=4 1380 B12R1.893 O=C(O)C1=CC=C(Br)C(F)=C1N PI-41747 [0,2,0,0,0,0|2,0,0]=4 1381 B12R1.893 O=C(O)C1=CC=C(C)C(F)=C1F PI-37178 [0,2,0,0,0,0|2,0,0]=4 1382 B12R1.893 OC(=O)c1ccc(F)c(F)c1F PI-16077 [0,2,0,0,0,0|2,0,0]=4 1383 B12R1.893 OC(=O)c1ccc(c(c1C)F)F PI-34462 [0,2,0,0,0,0|2,0,0]=4 1384 B12R1.893 OC(=O)c1ccc(c(c1F)C)F PI-34460 [0,2,0,0,0,0|2,0,0]=4 1385 B12R1.893 OC(=O)c1ccc(c(c1F)F)N PI-38299 [0,2,0,0,0,0|2,0,0]=4 1386 B12R1.893 OC(=O)c1ccc(c(c1N)C)C PI-32620 [0,2,0,0,0,0|2,0,0]=4 1387 B12R1.893 OC(=O)c1ccc(c(c1N)I)C PI-34646 [0,2,0,0,0,0|2,0,0]=4 1388 B12R1.232 C1=C(C(=CC(=C1Br)Cl)N)C(=O)O PI-45739 [0,2,0,0,0,0|2,0,0]=4 1389 B12R1.232 C1=C(C(=CC(=C1Cl)Cl)Cl)C(=O)O PI-39988 [0,2,0,0,0,0|2,0,0]=4 1390 B12R1.232 C1=C(C(=CC(=C1F)Br)F)C(=O)O PI-40947 [0,2,0,0,0,0|2,0,0]=4 1391 B12R1.232 C1=C(C(=CC(=C1F)Cl)Cl)C(=O)O PI-16073 [0,2,0,0,0,0|2,0,0]=4 1392 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)Cl PI-20038 [0,2,0,0,0,0|2,0,0]=4 1393 B12R1.232 C1=C(C(=CC(=C1F)Cl)F)C(=O)O PI-16075 [0,2,0,0,0,0|2,0,0]=4 1394 B12R1.232 C1=C(C(=CC(=C1F)F)Cl)C(=O)O PI-16074 [0,2,0,0,0,0|2,0,0]=4 1395 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)Cl PI-34298 [0,2,0,0,0,0|2,0,0]=4 1396 B12R1.232 C1=C(C(=CC(=C1F)F)F)C(=O)N PI-30997 [0,2,0,0,0,0|1,0,0]=3 1397 B12R1.232 C1=C(C(=CC(=C1F)F)I)C(=O)O PI-34281 [0,2,0,0,0,0|2,0,0]=4 1398 B12R1.232 C1=C(C(=CC(=C1F)F)N)C(=O)O PI-10424 [0,2,0,0,0,0|2,0,0]=4 1399 B12R1.232 C1=C(C(=CC(=C1F)F)O)[N+](=O)[O-] PI-34511 [0,2,0,0,0,0|2,0,0]=4 1400 B12R1.232 C1=C(C(=CC(=C1O)O)O)C(=O)O PI-11736 [0,2,0,0,0,0|1,0,0]=3 1401 B12R1.232 CC(=O)C1=CC(=C(C=C1Cl)F)F PI-30099 [0,2,0,0,0,0|2,0,0]=4 1402 B12R1.232 CC(=O)C1=CC(=C(C=C1F)Cl)F PI-29831 [0,2,0,0,0,0|2,0,0]=4 1403 B12R1.232 CC(=O)C1=CC(=C(C=C1F)F)F PI-29103 [0,2,0,0,0,0|2,0,0]=4 1404 B12R1.232 CC(=O)C1=CC(=C(C=C1O)O)O PI-44126 [0,2,0,0,0,0|1,0,0]=3 1405 B12R1.232 CC(=O)c1cc(Br)c(cc1F)F PI-39136 [0,2,0,0,0,0|2,0,0]=4 1406 B12R1.232 CC(=O)c1cc(F)c(cc1Cl)Cl PI-16271 [0,2,0,0,0,0|2,0,0]=4 1407 B12R1.232 CC1=CC(=C(C=C1C(=O)O)F)F PI-34463 [0,2,0,0,0,0|2,0,0]=4 1408 B12R1.232 CC1=CC(=C(C=C1C)C(=O)O)C PI-27676 [0,2,0,0,0,0|2,0,0]=4 1409 B12R1.232 CC1=CC(=C(C=C1C)O)C(=O)C PI-23855 [0,2,0,0,0,0|1,0,0]=3 1410 B12R1.232 CC1=CC(=C(C=C1Cl)C(=O)C)O PI-30428 [0,2,0,0,0,0|1,0,0]=3 1411 B12R1.232 CC1=CC(=C(C=C1F)F)C(=O)O PI-34480 [0,2,0,0,0,0|2,0,0]=4 1412 B12R1.232 ClC(=O)c1cc(F)c(cc1Cl)Cl PI-28871 [0,2,0,0,0,0|2,0,0]=4 1413 B12R1.232 Fc1cc(C(=O)O)c(F)cc1C PI-34461 [0,2,0,0,0,0|2,0,0]=4 1414 B12R1.232 Fc1cc(C(=O)O)c(F)cc1F PI-16078 [0,2,0,0,0,0|2,0,0]=4 1415 B12R1.232 Fc1cc(C(=O)O)c(cc1N)F PI-34478 [0,2,0,0,0,0|2,0,0]=4 1416 B12R1.232 O=C(O)C1=CC(C)=C(C)C=C1N PI-40810 [0,2,0,0,0,0|2,0,0]=4 1417 B12R1.232 O=C(O)C1=CC(N)=C(C)C=C1C PI-36846 [0,2,0,0,0,0|2,0,0]=4 1418 B12R1.232 OC(=O)c1cc(Cl)c(F)cc1F PI-10197 [0,2,0,0,0,0|2,0,0]=4 1419 B12R1.232 [O-][N+](=O)c1cc(Cl)c(cc1O)C PI-29873 [0,2,0,0,0,0|2,0,0]=4 1420 B12R1.452 C1=CC(=C(C=C1C#N)F)C(=O)O PI-20302 [0,2,0,0,0,0|2,0,0]=4 1421 B12R1.452 C1=CC(=CC(=C1C(O)=O)N)OC PI-41092 [0,2,0,0,0,0|2,0,0]=4 1422 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)F PI-12716 [0,2,0,0,0,0|2,0,0]=4 1423 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)N PI-30608 [0,2,0,0,0,0|2,0,0]=4 1424 B12R1.452 CC(=O)C1=C(C=C(C=C1)OC)O PI-11034 [0,2,0,0,0,0|1,0,0]=3 1425 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)Cl PI-33352 [0,2,0,0,0,0|2,0,0]=4 1426 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)I PI-50080 [0,2,0,0,0,0|2,0,0]=4 1427 B12R1.452 COC1=CC(=C(C=C1)C(=O)O)O PI-10049 [0,2,0,0,0,0|1,0,0]=3 1428 B12R1.452 COc1ccc(C(=O)N)c(O)c1 PI-32435 [0,2,0,0,0,0|0,0,0]=2 1429 B12R1.452 COc1ccc(c(c1)O)[N+](=O)[O-] PI-29863 [0,2,0,0,0,0|2,0,0]=4 1430 B12R1.452 O=Cc1ccc(c(c1)O)[N+](=O)[O-] PI-11927 [0,2,0,0,0,0|2,0,0]=4 1431 B12R1.1703 C1=CC(=C(C=C1Br)Br)C(=O)CBr PI-31571 [0,2,0,0,0,0|2,0,0]=4 1432 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CBr PI-12358 [0,2,0,0,0,0|2,0,0]=4 1433 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CCl PI-11716 [0,2,0,0,0,0|2,0,0]=4 1434 B12R1.1703 C1=CC(=C(C=C1Cl)Cl)C(=O)CN PI-10227 [0,2,0,0,0,0|1,0,0]=3 1435 B12R1.1703 C1=CC(=C(C=C1Cl)O)C(=O)NO PI-30783 [0,2,0,0,0,0|0,0,0]=2 1436 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)C=O PI-21222 [0,2,0,0,0,0|2,0,0]=4 1437 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CBr PI-11717 [0,2,0,0,0,0|2,0,0]=4 1438 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CCl PI-28595 [0,2,0,0,0,0|2,0,0]=4 1439 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)CN PI-10228 [0,2,0,0,0,0|1,0,0]=3 1440 B12R1.1703 C1=CC(=C(C=C1F)F)C(=O)NN PI-21139 [0,2,0,0,0,0|1,0,0]=3 1441 B12R1.1703 C1=CC(=C(C=C1N)O)C(=O)NN PI-50258 [0,2,0,0,0,0|0,0,0]=2 1442 B12R1.1703 C1=CC(=C(C=C1O)F)C(=NO)N PI-36321 [0,2,0,0,0,0|1,0,1]=4 1443 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CBr PI-30376 [0,2,0,0,0,0|1,0,0]=3 1444 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)CCl PI-50684 [0,2,0,0,0,0|1,0,0]=3 1445 B12R1.1703 C1=CC(=C(C=C1O)O)C(=O)NN PI-50279 [0,2,0,0,0,0|0,0,0]=2 1446 B12R1.1703 CC1=C(C=CC(=C1)Cl)C(=O)OC PI-50465 [0,2,0,0,0,0|2,0,0]=4 1447 B12R1.1703 CC1=C(C=CC(=C1)F)C(=O)OC PI-50475 [0,2,0,0,0,0|2,0,0]=4 1448 B12R1.1703 CC1=CC(=C(C=C1)C(=O)CBr)C PI-29413 [0,2,0,0,0,0|2,0,0]=4 1449 B12R1.1703 CC1=CC(=C(C=C1)C(=O)OC)O PI-28558 [0,2,0,0,0,0|1,0,0]=3 1450 B12R1.1703 CCC(=O)C1=C(C=C(C=C1)Cl)Cl PI-17228 [0,2,0,0,0,0|2,0,0]=4 1451 B12R1.1703 CCC(=O)c1ccc(cc1F)F PI-28864 [0,2,0,0,0,0|2,0,0]=4 1452 B12R1.1703 CNC(=O)C1=C(F)C=C(Br)C=C1 PI-39273 [0,2,0,0,0,0|1,0,0]=3 1453 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)Cl PI-50469 [0,2,0,0,0,0|2,0,0]=4 1454 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)N PI-33943 [0,2,0,0,0,0|2,0,0]=4 1455 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Br)O PI-43951 [0,2,0,0,0,0|1,0,0]=3 1456 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)Cl PI-30511 [0,2,0,0,0,0|2,0,0]=4 1457 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)F PI-44533 [0,2,0,0,0,0|2,0,0]=4 1458 B12R1.1703 COC(=O)C1=C(C=C(C=C1)Cl)N PI-11781 [0,2,0,0,0,0|2,0,0]=4 1459 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)Cl PI-33820 [0,2,0,0,0,0|2,0,0]=4 1460 B12R1.1703 COC(=O)C1=C(C=C(C=C1)F)F PI-28041 [0,2,0,0,0,0|2,0,0]=4 1461 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)Cl PI-33942 [0,2,0,0,0,0|2,0,0]=4 1462 B12R1.1703 COC(=O)C1=C(C=C(C=C1)N)O PI-18539 [0,2,0,0,0,0|1,0,0]=3 1463 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)Cl PI-36171 [0,2,0,0,0,0|2,0,0]=4 1464 B12R1.1703 COC(=O)C1=C(C=C(C=C1)O)O PI-10048 [0,2,0,0,0,0|1,0,0]=3 1465 B12R1.1703 NC1=CC(=C(C(=O)OC)C=C1)C PI-42589 [0,2,0,0,0,0|2,0,0]=4 1466 B12R1.1703 O=C(NC)C1=CC=C(N)C=C1F PI-42389 [0,2,0,0,0,0|1,0,0]=3 1467 B12R1.354 C1=CC(=C(C=C1Br)C(=O)NN)O PI-50602 [0,2,0,0,0,0|0,0,0]=2 1468 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NN)Cl PI-30842 [0,2,0,0,0,0|1,0,0]=3 1469 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NN)N PI-50274 [0,2,0,0,0,0|1,0,0]=3 1470 B12R1.354 C1=CC(=C(C=C1Cl)C(=O)NO)O PI-30543 [0,2,0,0,0,0|0,0,0]=2 1471 B12R1.354 C1=CC(=C(C=C1F)C(=O)CBr)O PI-21450 [0,2,0,0,0,0|1,0,0]=3 1472 B12R1.354 C1=CC(=C(C=C1O)C(=O)CBr)O PI-31569 [0,2,0,0,0,0|1,0,0]=3 1473 B12R1.354 C1=CC(=NC(=C1Cl)C(=O)NN)Cl PI-50449 [0,2,0,0,0,0|2,0,0]=4 1474 B12R1.354 CC1=C(C=C(C=C1)F)C(=O)OC PI-35260 [0,2,0,0,0,0|2,0,0]=4 1475 B12R1.354 CC1=CC(=C(C=C1)N)C(=O)NN PI-19389 [0,2,0,0,0,0|1,0,0]=3 1476 B12R1.354 CC1=CC(=C(C=C1)O)C(=O)OC PI-28293 [0,2,0,0,0,0|1,0,0]=3 1477 B12R1.354 CCC(=O)C1=C(C=CC(=C1)Cl)O PI-17699 [0,2,0,0,0,0|1,0,0]=3 1478 B12R1.354 CCC(=O)c1cc(Br)ccc1O PI-21516 [0,2,0,0,0,0|1,0,0]=3 1479 B12R1.354 CCC(=O)c1cc(C)ccc1O PI-20819 [0,2,0,0,0,0|1,0,0]=3 1480 B12R1.354 CCC(=O)c1cc(O)ccc1O PI-17243 [0,2,0,0,0,0|1,0,0]=3 1481 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)I PI-40379 [0,2,0,0,0,0|2,0,0]=4 1482 B12R1.354 COC(=O)C1=C(C=CC(=C1)Br)O PI-50603 [0,2,0,0,0,0|1,0,0]=3 1483 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)Cl PI-50468 [0,2,0,0,0,0|2,0,0]=4 1484 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)N PI-18615 [0,2,0,0,0,0|2,0,0]=4 1485 B12R1.354 COC(=O)C1=C(C=CC(=C1)Cl)O PI-18529 [0,2,0,0,0,0|1,0,0]=3 1486 B12R1.354 COC(=O)C1=C(C=CC(=C1)F)N PI-21369 [0,2,0,0,0,0|2,0,0]=4 1487 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)N PI-50229 [0,2,0,0,0,0|2,0,0]=4 1488 B12R1.354 COC(=O)C1=C(C=CC(=C1)O)O PI-13745 [0,2,0,0,0,0|1,0,0]=3 1489 B12R1.354 COC(=O)c1cc(Br)ccc1N PI-10941 [0,2,0,0,0,0|2,0,0]=4 1490 B12R1.354 COC(=O)c1cc(Cl)ccc1Br PI-34137 [0,2,0,0,0,0|2,0,0]=4 1491 B12R1.354 Cc1ccc(N)cc1C(=O)OC PI-32080 [0,2,0,0,0,0|2,0,0]=4 1492 B12R1.354 Clc1ccc(Cl)cc1C(=O)CBr PI-31568 [0,2,0,0,0,0|2,0,0]=4 1493 B12R1.354 OC1=CC=C(Br)C=C1C(CBr)=O PI-20573 [0,2,0,0,0,0|1,0,0]=3 1494 B12R1.354 Oc1ccc(Cl)cc1C(=O)CBr PI-20638 [0,2,0,0,0,0|1,0,0]=3 1495 B12R1.453 C1=CC(=C(C=C1C#N)[N+](=O)[O-])O PI-27483 [0,2,0,0,0,0|2,0,0]=4 1496 B12R1.453 C1=CC(=C(C=C1C=O)C(=O)O)F PI-42451 [0,2,0,0,0,0|2,0,0]=4 1497 B12R1.453 C1=CC(=C(C=C1CO)[N+](=O)[O-])O PI-20830 [0,2,0,0,0,0|2,0,0]=4 1498 B12R1.453 CC(=O)C1=C(C=CC(=C1)C#N)O PI-35466 [0,2,0,0,0,0|1,0,0]=3 1499 B12R1.453 CCC1=CC(=C(C=C1)O)C(=O)C PI-29391 [0,2,0,0,0,0|1,0,0]=3 1500 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)Cl PI-21556 [0,2,0,0,0,0|2,0,0]=4 1501 B12R1.453 COC1=CC(=C(C=C1)Br)C(=O)O PI-30340 [0,2,0,0,0,0|2,0,0]=4 1502 B12R1.453 COC1=CC(=C(C=C1)O)[N+](=O)[O-] PI-29161 [0,2,0,0,0,0|2,0,0]=4 1503 B12R1.453 COc1ccc(N)c(c1)C(=O)O PI-16410 [0,2,0,0,0,0|2,0,0]=4 1504 B12R1.453 COc1ccc(c(c1)C(=O)C)O PI-29865 [0,2,0,0,0,0|1,0,0]=3 1505 B12R1.453 COc1ccc(c(c1)C(=O)O)Cl PI-18773 [0,2,0,0,0,0|2,0,0]=4 1506 B12R1.453 O=C(O)C1=CC(CC)=CC=C1N PI-42626 [0,2,0,0,0,0|2,0,0]=4 1507 B12R1.453 O=C(O)C1=CC(OC)=CC=C1S PI-37112 [0,2,0,0,0,0|1,1,0]=4 1508 B12R1.453 O=Cc1ccc(c(c1)[N+](=O)[O-])O PI-20825 [0,2,0,0,0,0|2,0,0]=4 1509 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)Br PI-50632 [0,2,0,0,0,0|1,0,1]=4 1510 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)Cl PI-30575 [0,2,0,0,0,0|1,0,1]=4 1511 B12R1.308 C1=CC=C(C(=C1)C(=O)CC#N)F PI-34244 [0,2,0,0,0,0|1,0,1]=4 1512 B12R1.308 C1=CC=C(C(=C1)C(=O)N=C=S)Cl PI-23159 [0,2,0,0,0,0|1,0,1]=4 1513 B12R1.308 CCCC(=O)C1=CC=CC=C1O PI-15453 [0,2,0,0,0,0|1,0,0]=3 1514 B12R1.308 CCOC(=O)C1=CC=CC=C1Br PI-50232 [0,2,0,0,0,0|2,0,0]=4 1515 B12R1.308 CCOC(=O)C1=CC=CC=C1C PI-50249 [0,2,0,0,0,0|2,0,0]=4 1516 B12R1.308 CCOC(=O)C1=CC=CC=C1Cl PI-19869 [0,2,0,0,0,0|2,0,0]=4 1517 B12R1.308 CCOC(=O)C1=CC=CC=C1F PI-34135 [0,2,0,0,0,0|2,0,0]=4 1518 B12R1.308 CCOC(=O)C1=CC=CC=C1I PI-50555 [0,2,0,0,0,0|2,0,0]=4 1519 B12R1.308 O=C(NCC)C1=C(Cl)N=CC=C1 PI-46731 [0,2,0,0,0,0|2,0,0]=4 1520 B10R1.18 C1=CC=C(C=C1)OC(=O)N PI-10948 [0,0,1,1,0,0|2,0,0]=4 1521 B10R1.66 C1=COC(=C1)C=C[N+](=O)[O-] PI-17051 [0,0,1,1,0,0|2,0,0]=4 1522 B10R1.66 CC(=O)C=CC1=CC=CO1 PI-17492 [0,0,1,1,0,0|1,0,0]=3 1523 B10R1.66 CC(=O)C=CC1=CC=CS1 PI-29954 [0,0,1,1,0,0|1,1,0]=4 1524 B10R1.66 OC(=O)\C=C\c1ccco1 PI-28626 [0,0,1,1,0,0|1,0,0]=3 1525 B10R1.66 OC(=O)\C=C\c1ccco1 PI-31027 [0,0,1,1,0,0|1,0,0]=3 1526 B10R1.66 OC(=O)\C=C\c1cccs1 PI-28053 [0,0,1,1,0,0|1,1,0]=4 1527 B10R1.66 OC(=O)\C=C\c1cccs1 PI-39126 [0,0,1,1,0,0|1,1,0]=4 1528 B10R2.320 C1=CC=CC2=C1CC2=O PI-40938 [1,0,0,1,0,0|1,0,0]=3 1529 B10R2.7 C12=C(CNC1)C=CC=C2 PI-41113 [1,0,0,1,0,0|1,0,1]=4 1530 B10R2.7 C1=CC=C2C(=C1)C=CN2 PI-44715 [1,0,0,1,0,0|2,0,0]=4 1531 B10R2.7 C1=CC=C2C(=C1)N=CO2 PI-47002 [1,0,0,1,0,0|2,0,0]=4 1532 B10R2.7 C1COC2=CC=CC=C21 PI-21250 [1,0,0,1,0,0|1,0,1]=4 1533 B10R2.7 [B]1OC2=CC=CC=C2O1 PI-50000 [1,0,0,1,0,0|2,0,0]=4 1534 B10R2.7 c1ccc2c(c1)[nH]nc2 PI-31379 [1,0,0,1,0,0|1,0,1]=4 1535 B10R2.7 c1ccc2ccsc2c1 PI-14247 [1,0,0,1,0,0|1,1,0]=4 1536 B12R2.24 C1=CC2=CC(=O)NC=C2C=C1 PI-29911 [0,0,0,1,0,1|1,0,0]=3 1537 B12R2.24 C1=CC=C2C(=C1)C=CC(=N2)N PI-11108 [0,0,0,1,0,1|2,0,0]=4 1538 B12R2.24 C1=CC=C2C(=C1)NC(=O)C=N2 PI-49857 [0,0,0,1,0,1|2,0,0]=4 1539 B12R2.24 C1C(=O)NC2=CC=CC=C2N1 PI-50558 [0,0,0,1,0,1|2,0,0]=4 1540 B12R2.24 NC1=NC=C2C=CC=CC2=N1 PI-46795 [0,0,0,1,0,1|2,0,0]=4 1541 B12R2.24 Nc1ccc2c(c1)cccc2 PI-25969 [0,0,0,1,0,1|2,0,0]=4 1542 B12R2.24 Nc1cnc2ccccc2c1 PI-29717 [0,0,0,1,0,1|2,0,0]=4 1543 B12R2.24 Nc1ncc2ccccc2c1 PI-14103 [0,0,0,1,0,1|2,0,0]=4 1544 B12R2.24 O=C1CCc2c(C1)cccc2 PI-18642 [0,0,0,1,0,1|2,0,0]=4 1545 B12R2.24 O=C1CCc2c(N1)cccc2 PI-29698 [0,0,0,1,0,1|2,0,0]=4 1546 B12R2.24 O=C1CSc2c(N1)cccc2 PI-14812 [0,0,0,1,0,1|1,1,0]=4 1547 B12R2.24 O=C1OCc2ccccc2C1 PI-10151 [0,0,0,1,0,1|2,0,0]=4 1548 B12R2.202 C1=CC(=C2C(=C1)SC(=N2)N)F PI-45305 [0,0,0,1,0,1|1,1,0]=4 1549 B12R2.202 C1=CC(=C2C(=C1)SC(=O)N2)F PI-45347 [0,0,0,1,0,1|2,0,0]=4 1550 B12R2.202 C1=CC2=C(C(=C1)Br)SC(=N2)N PI-45303 [0,0,0,1,0,1|2,0,0]=4 1551 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)N PI-30271 [0,0,0,1,0,1|1,1,0]=4 1552 B12R2.202 C1=CC2=C(C(=C1)Cl)N=C(S2)N PI-45315 [0,0,0,1,0,1|1,1,0]=4 1553 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=N2)N PI-45114 [0,0,0,1,0,1|2,0,0]=4 1554 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=O)N2 PI-45344 [0,0,0,1,0,1|1,0,0]=3 1555 B12R2.202 C1=CC2=C(C(=C1)Cl)SC(=S)N2 PI-45332 [0,0,0,1,0,1|1,1,0]=4 1556 B12R2.202 C1C(=O)CC2=C1C=CC=C2Br PI-32756 [0,0,0,1,0,1|2,0,0]=4 1557 B12R2.202 C1C(=O)CC2=C1C=CC=C2Cl PI-32755 [0,0,0,1,0,1|2,0,0]=4 1558 B12R2.202 C1C2=C(C(=CC=C2)Cl)NC1=O PI-33957 [0,0,0,1,0,1|2,0,0]=4 1559 B12R2.202 CC1=C2C(=CC=C1)SC(=O)N2 PI-45350 [0,0,0,1,0,1|2,0,0]=4 1560 B12R2.202 CC1=CC2=C(N1)C=CC=C2O PI-18492 [0,0,0,1,0,1|1,0,0]=3 1561 B12R2.202 FC1=C2C(NC(Cl)=N2)=CC=C1 PI-46690 [0,0,0,1,0,1|2,0,0]=4 1562 B12R2.202 Nc1sc2c(n1)c(C)ccc2 PI-11118 [0,0,0,1,0,1|1,1,0]=4 1563 B12R2.202 O=C1NC2=C(C=CC=C2F)C1 PI-40280 [0,0,0,1,0,1|2,0,0]=4 1564 B12R2.3190 C1C(C2=CC=CC=C21)C(=O)O PI-40937 [0,0,0,1,0,1|2,0,0]=4 1565 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CN2 PI-16442 [0,1,0,1,0,0|2,0,0]=4 1566 B12R2.1081 C1=CC=C2C(=C1)C(=O)C=CO2 PI-15386 [0,1,0,1,0,0|1,0,0]=3 1567 B12R2.1081 C1=CC=CC2=C1C(=O)NC=C2 PI-11697 [0,1,0,1,0,0|1,0,0]=3 1568 B12R2.1081 C1CC2=CC=CC=C2C(=O)C1 PI-32512 [0,1,0,1,0,0|2,0,0]=4 1569 B12R2.1081 C1CNC(=O)C2=CC=CC=C21 PI-35016 [0,1,0,1,0,0|1,0,0]=3 1570 B12R2.1081 C1CNC2=CC=CC=C2C1=O PI-44146 [0,1,0,1,0,0|2,0,0]=4 1571 B12R2.1081 C1CSC2=CC=CC=C2C1=O PI-44168 [0,1,0,1,0,0|1,1,0]=4 1572 B12R2.1081 N[C@H]1CCOC2=C1C=CC=C2 PI-41866 [0,1,0,1,0,0|1,0,1]=4 1573 B12R2.1081 Nc1cncc2ccccc12 PI-29375 [0,1,0,1,0,0|2,0,0]=4 1574 B12R2.1081 Nc1nccc2c1cccc2 PI-17133 [0,1,0,1,0,0|2,0,0]=4 1575 B12R2.1081 O=C1CCOc2c1cccc2 PI-10312 [0,1,0,1,0,0|1,0,0]=3 1576 B12R2.1081 O=C1NN=NC2=CC=CC=C12 PI-40803 [0,1,0,1,0,0|1,0,0]=3 1577 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)Br PI-22576 [0,1,0,1,0,0|2,0,0]=4 1578 B12R2.2028 C1=CC=C2C(=C1)C(OC2=O)O PI-44675 [0,1,0,1,0,0|1,0,0]=3 1579 B12R2.2028 C1C(=O)C2=CC=CC=C2C1=O PI-31372 [0,1,0,1,0,0|1,0,1]=4 1580 B12R2.2028 CN1C2=CC=CC=C2C(=N1)N PI-34974 [0,1,0,1,0,0|2,0,0]=4 1581 B12R2.2028 N=C1NC(=N)c2ccccc12 PI-37309 [0,1,0,1,0,0|2,0,0]=4 1582 B12R2.2028 O=C1NC(=O)c2c1cccc2 PI-33124 [0,1,0,1,0,0|0,0,1]=3 1583 B12R2.2403 O=S1(OCC2=CC=CC=C12)=O PI-40748 [0,1,0,1,0,0|2,0,0]=4 1584 B12R2.203 C1=CC2=C(C(=C1)Cl)C(=O)NO2 PI-34869 [0,1,0,1,0,0|0,0,0]=2 1585 B12R2.203 C1=CC2=C(C(=C1)I)C(=NN2)N PI-45020 [0,1,0,1,0,0|2,0,0]=4 1586 B12R2.203 C1=CC2=NNC(=C2C(=C1)Br)Cl PI-50044 [0,1,0,1,0,0|2,0,0]=4 1587 B12R2.203 C1C(=O)C2=C(O1)C=CC=C2Cl PI-32752 [0,1,0,1,0,0|1,0,0]=3 1588 B12R2.203 C1CC(=O)C2=C1C=CC=C2F PI-32734 [0,1,0,1,0,0|2,0,0]=4 1589 B12R2.203 C1CC(=O)C2=C1C=CC=C2I PI-32736 [0,1,0,1,0,0|2,0,0]=4 1590 B12R2.203 O=C1CCc2c1c(Br)ccc2 PI-32735 [0,1,0,1,0,0|2,0,0]=4 1591 B12R2.203 O=C1CCc2c1c(Cl)ccc2 PI-31373 [0,1,0,1,0,0|2,0,0]=4 1592 B12R2.196 BrC1=C2C(C(CS2)=O)=CC=C1 PI-38352 [0,1,0,1,0,0|1,1,0]=4 1593 B12R2.196 C1C(=O)C2=C(O1)C(=CC=C2)I PI-32748 [0,1,0,1,0,0|1,0,0]=3 1594 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)Cl PI-32730 [0,1,0,1,0,0|2,0,0]=4 1595 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)F PI-32729 [0,1,0,1,0,0|2,0,0]=4 1596 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)I PI-32731 [0,1,0,1,0,0|2,0,0]=4 1597 B12R2.196 C1CC(=O)C2=C1C(=CC=C2)O PI-40573 [0,1,0,1,0,0|2,0,0]=4 1598 B12R2.196 CC1=C2CCC(=O)C2=CC=C1 PI-42676 [0,1,0,1,0,0|2,0,0]=4 1599 B12R2.196 O=C1CCc2c1cccc2Br PI-21520 [0,1,0,1,0,0|2,0,0]=4 1600 B12R2.196 O=C1COc2c1cccc2Br PI-32747 [0,1,0,1,0,0|1,0,0]=3 1601 B12R2.612 Brc1ccc2c(c1)CNC2=O PI-39318 [0,1,0,1,0,0|1,0,0]=3 1602 B12R2.612 Brc1ccc2c(c1)onc2Cl PI-39037 [0,1,0,1,0,0|1,0,1]=4 1603 B12R2.612 C1=C(Br)C=CC2=C1CCC2=O PI-21521 [0,1,0,1,0,0|2,0,0]=4 1604 B12R2.612 C1C(=O)C2=C(O1)C=C(C=C2)O PI-17763 [0,1,0,1,0,0|1,0,0]=3 1605 B12R2.612 C1C(C2=C(O1)C=C(C=C2)Br)N PI-48312 [0,1,0,1,0,0|1,0,1]=4 1606 B12R2.612 C1C2=C(C=CC(=C2)Br)C(=O)O1 PI-11635 [0,1,0,1,0,0|2,0,0]=4 1607 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)N1 PI-36570 [0,1,0,1,0,0|1,0,0]=3 1608 B12R2.612 C1C2=C(C=CC(=C2)N)C(=O)O1 PI-17686 [0,1,0,1,0,0|2,0,0]=4 1609 B12R2.612 C1C2=C(C=CC(=N2)Cl)C(=O)N1 PI-48341 [0,1,0,1,0,0|2,0,0]=4 1610 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)F PI-16849 [0,1,0,1,0,0|2,0,0]=4 1611 B12R2.612 C1CC(=O)C2=C1C=C(C=C2)I PI-32739 [0,1,0,1,0,0|2,0,0]=4 1612 B12R2.612 CC1=C2C=CC(=CC2=NN1)N PI-45010 [0,1,0,1,0,0|2,0,0]=4 1613 B12R2.612 Clc1ccc2C(=O)CCc2c1 PI-31195 [0,1,0,1,0,0|2,0,0]=4 1614 B12R2.612 Nc1ccc2C(=O)CCc2c1 PI-14100 [0,1,0,1,0,0|2,0,0]=4 1615 B12R2.612 O=C1CCC2=C1C=CC(C)=C2 PI-40563 [0,1,0,1,0,0|2,0,0]=4 1616 B12R2.612 O=C1NCC2=C1C=CC(O)=C2 PI-46708 [0,1,0,1,0,0|1,0,0]=3 1617 B12R2.612 O=C1OCC2=C1C=CC(Cl)=C2 PI-40884 [0,1,0,1,0,0|2,0,0]=4 1618 B12R2.612 Oc1ccc2C(=O)CCc2c1 PI-11505 [0,1,0,1,0,0|2,0,0]=4 1619 B12R2.132 Brc1ccc2CCC(=O)c2c1 PI-32742 [0,1,0,1,0,0|2,0,0]=4 1620 B12R2.132 Brc1ccc2OCC(=O)c2c1 PI-36911 [0,1,0,1,0,0|1,0,0]=3 1621 B12R2.132 Brc1ccc2c(c1)C(=O)NC2 PI-39244 [0,1,0,1,0,0|1,0,0]=3 1622 B12R2.132 C1=CC2=NNC(=C2C=C1Br)F PI-44016 [0,1,0,1,0,0|2,0,0]=4 1623 B12R2.132 C1C2=C(C=C(C=C2)N)C(=O)O1 PI-30728 [0,1,0,1,0,0|2,0,0]=4 1624 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)I PI-32743 [0,1,0,1,0,0|2,0,0]=4 1625 B12R2.132 C1CC(=O)C2=C1C=CC(=C2)N PI-34587 [0,1,0,1,0,0|2,0,0]=4 1626 B12R2.132 CC1=COC2=C1C=C(C=C2)O PI-44179 [0,1,0,1,0,0|2,0,0]=4 1627 B12R2.132 Clc1ccc2c(c1)C(=O)CC2 PI-32741 [0,1,0,1,0,0|2,0,0]=4 1628 B12R2.132 Fc1ccc2c(c1)C(=O)CC2 PI-16850 [0,1,0,1,0,0|2,0,0]=4 1629 B12R2.132 O=C1CCC2=C1C=C(O)C=C2 PI-37330 [0,1,0,1,0,0|2,0,0]=4 1630 B12R2.1 BrCC1=NOC2=CC=CC=C12 PI-42779 [0,1,0,1,0,0|1,0,1]=4 1631 B12R2.1 C1=CC=C2C(=C1)C(=CN2)C=O PI-16169 [0,1,0,1,0,0|2,0,0]=4 1632 B12R2.1 C1=CC=C2C(=C1)C(=CS2)C=O PI-18657 [0,1,0,1,0,0|1,1,0]=4 1633 B12R2.1 C1=CC=C2C(=C1)C(=CS2)CN PI-35078 [0,1,0,1,0,0|1,1,0]=4 1634 B12R2.1 C1=CC=C2C(=C1)C(=NO2)CO PI-48272 [0,1,0,1,0,0|0,0,2]=4 1635 B12R2.1 O=Cc1coc2c1cccc2 PI-39293 [0,1,0,1,0,0|1,0,0]=3 1636 B12R2.18 C1C(C(=O)C2=CC=CC=C21)Br PI-30227 [0,1,0,1,0,0|2,0,0]=4 1637 B12R2.18 O=C1C(=O)Nc2ccccc12 PI-31744 [0,1,0,1,0,0|2,0,0]=4 1638 B12R2.18 O=C1OC2=CC=CC=C2C1C PI-37207 [0,1,0,1,0,0|1,0,1]=4 1639 B8R1.7 C1=CNC=C1C(=O)O PI-34087 [1,0,0,0,1,0|2,0,0]=4 1640 B8R1.7 C1=CNC=C1C(=O)O PI-48299 [1,0,0,0,1,0|2,0,0]=4 1641 B8R1.7 C1=COC(=C1)C(=O)N PI-17349 [1,0,0,0,1,0|1,0,0]=3 1642 B8R1.7 C1=COC=C1C(=N)N PI-19708 [1,0,0,0,1,0|2,0,0]=4 1643 B8R1.7 C1=COC=C1C(=O)Cl PI-46981 [1,0,0,0,1,0|2,0,0]=4 1644 B8R1.7 C1=COC=C1C(=O)O PI-16502 [1,0,0,0,1,0|2,0,0]=4 1645 B8R1.7 C1=COC=C1C(=S)N PI-19750 [1,0,0,0,1,0|1,1,0]=4 1646 B8R1.7 C1=CSC(=C1)C(=N)N PI-29689 [1,0,0,0,1,0|2,0,0]=4 1647 B8R1.7 C1=CSC(=C1)C(=O)N PI-50586 [1,0,0,0,1,0|1,0,0]=3 1648 B8R1.7 C1=CSC(=C1)C(=O)[O-] PI-11153 [1,0,0,0,1,0|2,0,0]=4 1649 B8R1.7 CC(=O)C1=CC=CN1 PI-12083 [1,0,0,0,1,0|2,0,0]=4 1650 B8R1.7 CC(=O)c1cscc1 PI-16499 [1,0,0,0,1,0|2,0,0]=4 1651 B8R1.7 ClC(=O)c1cscc1 PI-10762 [1,0,0,0,1,0|2,0,0]=4 1652 B8R1.7 NC(=S)c1ccco1 PI-19230 [1,0,0,0,1,0|1,1,0]=4 1653 B8R1.7 NC(=S)c1cccs1 PI-39110 [1,0,0,0,1,0|1,1,0]=4 1654 B8R1.7 NC(=S)c1cscc1 PI-29381 [1,0,0,0,1,0|1,1,0]=4 1655 B8R1.7 OC(=O)c1ccc[nH]1 PI-27813 [1,0,0,0,1,0|2,0,0]=4 1656 B8R1.7 OC(=O)c1cccs1 PI-38239 [1,0,0,0,1,0|2,0,0]=4 1657 B8R1.7 OC(=O)c1cscc1 PI-10764 [1,0,0,0,1,0|2,0,0]=4 1658 B8R1.11 Brc1cscc1C=O PI-36834 [1,0,0,0,1,0|2,0,0]=4 1659 B8R1.11 C1=CSC(=C1Br)C=O PI-22616 [1,0,0,0,1,0|2,0,0]=4 1660 B8R1.11 C1=CSC(=C1Cl)C=O PI-42060 [1,0,0,0,1,0|2,0,0]=4 1661 B8R1.11 CC1=C(SC=C1)C=O PI-10802 [1,0,0,0,1,0|2,0,0]=4 1662 B8R1.11 CN1C=CC=C1C=O PI-33707 [1,0,0,0,1,0|2,0,0]=4 1663 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)Cl)Cl PI-20015 [0,0,0,0,0,2|2,0,0]=4 1664 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)Cl PI-23702 [0,0,0,0,0,2|2,0,0]=4 1665 B12R1.125 C1=CC=C(C(=C1)C=CC(=O)O)F PI-31196 [0,0,0,0,0,2|2,0,0]=4 1666 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)Cl PI-16404 [0,0,0,0,0,2|2,0,0]=4 1667 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)F PI-16997 [0,0,0,0,0,2|2,0,0]=4 1668 B12R1.125 C1=CC=C(C(=C1)CCC(=O)O)O PI-20847 [0,0,0,0,0,2|1,0,0]=3 1669 B12R1.125 C1=CC=C(C(=C1)OCC(=O)O)Cl PI-32617 [0,0,0,0,0,2|2,0,0]=4 1670 B12R1.125 CC1=CC=CC=C1CCC(=O)O PI-24240 [0,0,0,0,0,2|2,0,0]=4 1671 B12R1.125 CC1=CC=CC=C1OCC(=O)O PI-30248 [0,0,0,0,0,2|2,0,0]=4 1672 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O PI-11520 [0,0,0,0,0,2|1,0,0]=3 1673 B12R1.125 OC(=O)CCc1ccccc1Br PI-22537 [0,0,0,0,0,2|2,0,0]=4 1674 B12R1.125 OC(=O)\C=C\c1ccccc1C PI-11522 [0,0,0,0,0,2|2,0,0]=4