0 B10R1.113 C1=C(C=CC=C1Br)B(O)O BCP22684 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.113 C1=C(N=CC=C1B(O)O)C BCP05471 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.113 ClC1=CC(C(Cl)=O)=NC=C1 BCP15510 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.113 FC1=CC(B(O)O)=CC=C1 BCP13763 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.113 Fc1nccc(c1)C(=O)O BCP10414 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.113 N=C(C1=CC(Cl)=CC=C1)N BCP17079 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.113 N=C(C1=CC(Cl)=NC=C1)N BCP14413 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.113 N=C(N)C1=CC=CC(F)=C1 BCP17080 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.113 NC(C1=CC(Cl)=CC=N1)=O BCP11594 [0,0,0,0,0,0|3,0,0]=3 10 B10R1.113 N[C@@H](C)C1=CC(Br)=CC=C1 BCP09419 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.113 N[C@@H](C)C1=CC(F)=CC=C1 BCP09418 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.113 N[C](C)C1=CC(F)=CC=C1 BCP09417 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.113 O=C(C1=CC(Cl)=NC=C1)N BCP07880 [0,0,0,0,0,0|3,0,0]=3 16 B10R1.113 O=C(C1=CC(N)=NC=C1)O BCP00191 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 BCP06806 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.113 O=C1NN=CC(=C1)C(=O)O BCP03769 [0,0,0,0,0,0|2,0,1]=3 19 B10R1.113 O=[N+](C1=CC(F)=CC=C1)[O-] BCP16131 [0,0,0,0,0,0|2,0,1]=3 20 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 BCP18660 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.113 OB(C1=CC(F)=CN=C1)O BCP07271 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.113 OC(C1=NC=NC(O)=C1)=O BCP06262 [0,0,0,0,0,0|2,0,0]=2 23 B10R1.113 Oc1cccc(c1)B(O)O BCP03518 [0,0,0,0,0,0|1,0,1]=2 24 B10R1.113 [O-][N+](C1=NC=CC(Cl)=C1)=O BCP10977 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.2 C1=CN=C(C=C1NN)O BCP14942 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.2 NC1=CC=CC(C#C)=C1 BCP09426 [1,0,0,0,0,0|2,0,1]=4 27 B9R1.2 O=CC1=CC=CC(N)=N1 BCP14417 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.2 O=CC1=NC(Br)=CC=C1 BCP14423 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.2 OC1=CC=CC(C#C)=C1 BCP07104 [1,0,0,0,0,0|1,0,1]=3 30 B9R1.2 OCC1=CC(C)=CN=C1 BCP16511 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [1,0,0,0,0,0|2,0,1]=4 33 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [1,0,0,0,0,0|1,0,0]=2 34 B9R1.6 OB(O)C1=CC=NC=C1 BCP01192 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [1,0,0,0,0,0|2,0,1]=4 36 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O BCP01685 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.21 CC(C1=CC=C(F)C(N)=C1)=O BCP10115 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 BCP17077 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.21 NC(C1=CC(N)=C(C)C=C1)=O BCP14925 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.21 O=C(Cl)C1=CC(I)=C(C)C=C1 BCP07666 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 BCP15174 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(N)C=C1 BCP05869 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.21 O=[N+]([O-])C1=CC(F)=C(N)C=C1 BCP05877 [0,1,0,0,0,0|2,0,1]=4 44 B11R1.21 O=[N+]([O-])C1=CC(N)=C(Br)C=C1 BCP05873 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 BCP19576 [0,1,0,0,0,0|1,0,1]=3 46 B11R1.21 OB(O)C1=CC(Cl)=C(F)C=C1 BCP06961 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.21 OC(C1=CC(N)=C(Br)C=C1)=O BCP05730 [0,1,0,0,0,0|1,0,0]=2 48 B11R1.21 OC(C1=CC=C(I)C(O)=C1)=O BCP09356 [0,1,0,0,0,0|0,0,0]=1 49 B11R1.21 OC(C1=C[N+]([O-])=C(C)C=N1)=O BCP28412 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O BCP12653 [0,1,0,0,0,0|2,0,0]=3 51 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP04087 [0,1,0,0,0,0|3,0,0]=4 52 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP10788 [0,1,0,0,0,0|3,0,0]=4 53 B11R1.23 ClC1=CC([C@@H](CN)O)=CC=C1 BCP14172 [0,1,0,0,0,0|2,0,1]=4 54 B11R1.23 ClC1=CC([C](CCl)O)=CC=C1 BCP12178 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.23 ClC1=CC([C](CO)N)=CC=C1 BCP15021 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.23 N#CC(C1=CC(C)=CC=C1)=O BCP06462 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.23 O=C(C1=NC=CC(C)=C1)OC BCP16377 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.23 O=C(NN)C1=CC(Cl)=CC=N1 BCP12587 [0,1,0,0,0,0|3,0,0]=4 59 B11R1.23 OC(CN)C1=CC=CC(O)=C1 BCP07813 [0,1,0,0,0,0|1,0,1]=3 60 B11R1.74 ClC1=CC(=CC(=N1)C(=O)O)C BCP07577 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.74 NC1=CC(Cl)=CC(=C1)[N+]([O-])=O BCP20576 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.74 O=C(C1=CC(Cl)=NC(C)=C1)O BCP11279 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.74 O=C1NC(C=C(N1)C(O)=O)=O BCP09063 [0,1,0,0,0,0|2,0,1]=4 64 B11R1.155 CS(C1=CC=CC(Br)=C1)(=O)=O BCP19786 [0,1,0,0,0,0|2,0,1]=4 65 B11R1.155 O=S(C1=CC(C)=NC=C1)(O)=O BCP20117 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.159 CC1=C(Br)C=CC=C1C(O)=O BCP15096 [0,1,0,0,0,0|1,0,0]=2 67 B11R1.159 ClC1=C(C=CC=C1N)C(O)=O BCP11482 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.159 FC1=C(Br)C=CC=C1C(O)=O BCP06895 [0,1,0,0,0,0|1,0,0]=2 69 B11R1.159 NC1=C(Br)C=CC=C1C(O)=O BCP19780 [0,1,0,0,0,0|1,0,0]=2 70 B11R1.159 NC1=CC=CC([N+]([O-])=O)=C1N BCP04091 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.159 O=C(N)C1=C(N)C(N)=CC=C1 BCP15225 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1I BCP20542 [0,1,0,0,0,0|1,0,0]=2 73 B11R1.159 O=C(O)C1=CC=CC(N)=C1F BCP01533 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.159 OC(C1=CC=CC(N)=C1Br)=O BCP14102 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.159 OC1=C(Br)C=CC=C1[N+]([O-])=O BCP13329 [0,1,0,0,0,0|2,0,1]=4 76 B11R1.159 OC1=C(N)C=CC=C1C(C)=O BCP10837 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.167 BrC=1C=CC(=CC1C(O)=O)F BCP14905 [0,1,0,0,0,0|1,0,0]=2 78 B11R1.167 Brc1cnc(c(c1)C(=O)O)F BCP11547 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.167 CC(C1=C(C=CC(F)=C1)I)=O BCP07101 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.167 CC1=C(C(O)=O)C=C(Br)C=C1 BCP08460 [0,1,0,0,0,0|1,0,0]=2 81 B11R1.167 CC1=C(C(O)=O)C=C(I)C=C1 BCP08718 [0,1,0,0,0,0|1,0,0]=2 82 B11R1.167 CC1=C(N=C(Cl)N=C1)C(O)=O BCP11681 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.167 CC1=CC=C(F)C=C1C(O)=O BCP15139 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.167 CC1=NC=C(C(=N1)C(=O)O)Br BCP12234 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.167 ClC1=NN=C(Cl)C=C1C(O)=O BCP05892 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.167 ClC=1C=CC(=CC1C(O)=O)Br BCP07097 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.167 Clc1ccc(c(c1)B(O)O)F BCP15299 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.167 FC1=CC=C(I)C=C1C(O)=O BCP14014 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.167 NC1=CC=C(F)C([N+]([O-])=O)=C1 BCP18823 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.167 NC=1C=CC(=CC1[N+]([O-])=O)F BCP05910 [0,1,0,0,0,0|2,0,1]=4 91 B11R1.167 O=C(C1=CC(Cl)=CN=C1N)O BCP11520 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.167 O=C(C1=CC(I)=CN=C1N)O BCP11517 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.167 O=C(C1=NC(Cl)=CC=C1Br)O BCP10166 [0,1,0,0,0,0|2,0,0]=3 94 B11R1.167 O=C(O)C1=C(Br)C=NC(Cl)=C1 BCP09378 [0,1,0,0,0,0|2,0,0]=3 95 B11R1.167 O=C(O)C1=C(Cl)N=CC(C)=C1 BCP16113 [0,1,0,0,0,0|2,0,0]=3 96 B11R1.167 O=C(O)C1=CC(F)=CC=C1N BCP16119 [0,1,0,0,0,0|1,0,0]=2 97 B11R1.167 O=C(O)C1=NC(Cl)=CN=C1N BCP03892 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.167 OC=1C=CC(=CC1C(O)=O)N BCP05326 [0,1,0,0,0,0|1,0,0]=2 99 B11R1.266 C(#N)C1=NC=CC(=C1)C(=O)O BCP18492 [0,1,0,0,0,0|2,0,0]=3 100 B11R1.266 COc1cccc(c1)B(O)O BCP03523 [0,1,0,0,0,0|1,0,1]=3 101 B11R1.266 O=Cc1cccc(c1)C(=O)O BCP18649 [0,1,0,0,0,0|0,0,1]=2 102 B11R1.266 OB(C1=CC=CC(CN)=C1)O BCP15091 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.35 Cc1ncc(s1)C(=O)O BCP05391 [0,0,0,0,1,0|3,0,0]=4 104 B9R1.35 O=C(C1=CC=C(C)S1)O BCP05923 [0,0,0,0,1,0|2,0,0]=3 105 B9R1.35 O=C(C1=CC=C(F)S1)O BCP06836 [0,0,0,0,1,0|2,0,0]=3 106 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BCP11850 [0,0,0,0,1,0|3,0,0]=4 107 B9R1.35 O=C(O)C1=CC(O)=NO1 BCP08277 [0,0,0,0,1,0|2,0,0]=3 108 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BCP05839 [0,0,0,0,1,0|2,0,0]=3 109 B9R1.35 O=C(O)C1=NC(Br)=CS1 BCP11583 [0,0,0,0,1,0|3,0,0]=4 110 B9R1.41 BrC1=CSC=C1C(O)=O BCP07136 [0,0,0,0,1,0|2,0,0]=3 111 B9R1.41 CN1C(C(O)=O)=CN=C1 BCP15504 [0,0,0,0,1,0|3,0,0]=4 112 B9R1.41 O=C(N)C1=CC=CN1N BCP13936 [0,0,0,0,1,0|3,0,0]=4 113 B9R1.41 O=C(O)C1=C(Br)SC=C1 BCP08081 [0,0,0,0,1,0|2,0,0]=3 114 B11R1.157 O=C(O)CC1=CC=CC(C)=N1 BCP08714 [0,0,0,0,0,1|2,0,0]=3 115 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [2,0,0,0,0,0|2,0,0]=4 116 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|1,0,1]=4 117 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 118 B8R1.4 BrC1=CC=NC(O)=C1 BCP01174 [2,0,0,0,0,0|2,0,0]=4 119 B8R1.4 C1=C(C=NC=C1Cl)O BCP10855 [2,0,0,0,0,0|2,0,0]=4 120 B8R1.4 CC1=CC=CC(N)=C1 BCP15285 [2,0,0,0,0,0|1,0,1]=4 121 B8R1.4 NC1=CC(F)=CC=C1 BCP13758 [2,0,0,0,0,0|2,0,0]=4 122 B8R1.4 OC1=NC=NC(O)=C1 BCP00979 [2,0,0,0,0,0|2,0,0]=4 123 B8R1.4 SC1=CC=CC(N)=C1 BCP18600 [2,0,0,0,0,0|1,1,0]=4 124 B10R1.8 OCC1=CC(O)=CC(O)=C1 BCP18630 [1,1,0,0,0,0|0,0,1]=3 125 B10R1.30 BrC1=CC=C(Cl)C=C1C=O BCP05871 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.30 BrC1=CC=C(F)C=C1C=O BCP14475 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.30 C1=C(C(=CC=C1F)O)C=O BCP18438 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.30 FC=1C=CC(=CC1OC)O BCP10034 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.30 O=CC1=CC(Cl)=NC=C1Br BCP06090 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.172 COC1=CC(CCl)=CC=C1 BCP18627 [1,1,0,0,0,0|1,0,1]=4 131 B10R1.172 COC1=CC(SC)=CC=C1 BCP17523 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.172 COC1=NC=CC(=N1)C=O BCP10050 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.172 NCC1=CC=CC(OC)=C1 BCP11237 [1,1,0,0,0,0|1,0,1]=4 134 B10R1.172 O=CC1=CC=CC(CC)=C1 BCP06175 [1,1,0,0,0,0|1,0,0]=3 135 B10R1.176 COC1=CC=C(Cl)C(O)=C1 BCP11272 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.176 ClC1=C(Br)C=CC(C=O)=C1 BCP14717 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BCP00880 [1,1,0,0,0,0|0,0,0]=2 138 B10R1.176 O=Cc1cnc(c(c1)C)Cl BCP08525 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.13 BrC1=CN=C(C=N1)C(=O)O BCP04439 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 BCP07421 [1,1,0,0,0,0|1,0,1]=4 141 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.13 NC(C1=CC=C(N)C=C1)=N BCP12270 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.13 O=C(C1=NC=C(C)N=C1)O BCP04707 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.13 O=C(O)C1=CN=C(O)N=C1 BCP11778 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.13 O=[N+](C1=CC=C(I)C=C1)[O-] BCP14439 [1,1,0,0,0,0|1,0,1]=4 147 B10R1.13 O=[N+]([O-])C1=CC=C(N)C=C1 BCP10655 [1,1,0,0,0,0|1,0,1]=4 148 B10R1.13 OB(O)C1=CC=C(S)C=C1 BCP06691 [1,1,0,0,0,0|1,0,1]=4 149 B10R1.13 OC(C1=CC=[N+]([O-])C=C1)=O BCP10688 [1,1,0,0,0,0|1,0,0]=3 150 B10R1.13 OC1=CC=C(B(O)O)C=C1 BCP03521 [1,1,0,0,0,0|1,0,1]=4 151 B10R1.13 OC1=CC=C(C(=S)N)C=C1 BCP12826 [1,1,0,0,0,0|1,1,0]=4 152 B10R1.15 O=C(NN)C1=CC=NC=C1 BCP13791 [1,1,0,0,0,0|2,0,0]=4 153 B10R1.61 CC(=O)c1cccnc1Cl BCP10419 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.61 ClC1=C(C(N)=O)C=NC=C1 BCP06914 [1,1,0,0,0,0|2,0,0]=4 156 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.61 IC1=NC=CN=C1C(=O)O BCP04704 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.61 NC1=C([N+]([O-])=O)C=CC=C1 BCP05324 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.61 NC1=CC=CC=C1B(O)O BCP14682 [1,1,0,0,0,0|1,0,1]=4 160 B10R1.61 O=C(C1=C(N)C=NC=C1)O BCP09357 [1,1,0,0,0,0|1,0,0]=3 161 B10R1.61 O=C(C1=NC=CNC1=O)O BCP03022 [1,1,0,0,0,0|2,0,0]=4 162 B10R1.61 O=C(O)C1=C(C)N=CN=C1 BCP06023 [1,1,0,0,0,0|2,0,0]=4 163 B10R1.61 O=C(O)C=1C=NC=CC1Br BCP05403 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.61 O=C1C(C(C)=O)=CC=CN1 BCP28633 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.61 OB(c1ccccc1Br)O BCP11801 [1,1,0,0,0,0|1,0,1]=4 166 B10R1.61 OC(=O)c1ccncc1C BCP06101 [1,1,0,0,0,0|1,0,0]=3 167 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [1,1,0,0,0,0|0,0,0]=2 168 B10R1.58 OC(C1=CC(Cl)=C(Cl)S1)=O BCP06761 [0,1,0,0,1,0|2,0,0]=4 169 B10R1.149 COC(=O)c1[nH]ccc1Cl BCP07269 [0,1,0,0,1,0|2,0,0]=4 170 B10R1.149 O=C(OC)C1=C(N)C=CS1 BCP12607 [0,1,0,0,1,0|2,0,0]=4 171 B12R1.19 C1=C(C=CC(=C1Cl)O)NC(C)=O BCP20088 [0,1,0,0,0,1|2,0,0]=4 172 B12R1.19 OC1=CC(CC(C)=O)=CC=C1O BCP28119 [0,1,0,0,0,1|1,0,0]=3 173 B12R1.50 NC1=CC(NC(CC)=O)=CC=C1 BCP19520 [0,1,0,0,0,1|2,0,0]=4 174 B12R1.127 BrC1=C(CC(O)=O)C=C(Br)C=C1 BCP11411 [0,1,0,0,0,1|1,0,0]=3 175 B12R1.127 O=C(O)CC1=CC(C)=CC=C1C BCP29307 [0,1,0,0,0,1|1,0,0]=3 176 B12R1.225 ClC1=CC([C@@H](C(O)=O)N)=CC=C1 BCP19868 [0,1,0,0,0,1|1,0,0]=3 177 B12R1.225 ClC1=CC([C](C(O)=O)N)=CC=C1 BCP19872 [0,1,0,0,0,1|1,0,0]=3 178 B12R1.225 ClC1=CC([C](C(O)=O)N)=CC=C1 BCP19873 [0,1,0,0,0,1|1,0,0]=3 179 B12R1.48 O=CC1=CC=C([N+]([O-])=O)C=C1O BCP15114 [0,2,0,0,0,0|1,0,1]=4 180 B12R1.48 OC(C1=CC=C(C#N)C(F)=C1)=O BCP17417 [0,2,0,0,0,0|1,0,0]=3 181 B12R1.56 C1=CC(=C(C=C1C(=O)O)C#N)O BCP28268 [0,2,0,0,0,0|1,0,0]=3 182 B12R1.56 NC1=CC=C(C(O)=O)C=C1OC BCP01505 [0,2,0,0,0,0|0,0,0]=2 183 B12R1.56 O=[N+](C1=CC=C(F)C(OC)=C1)[O-] BCP05879 [0,2,0,0,0,0|1,0,1]=4 184 B12R1.56 OC1=C(C=O)C=C(C(O)=O)C=C1 BCP05672 [0,2,0,0,0,0|0,0,1]=3 185 B12R1.56 OC1=C(OC)C=C([N+]([O-])=O)C=C1 BCP17330 [0,2,0,0,0,0|1,0,1]=4 186 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(C)=C1 BCP09568 [0,2,0,0,0,0|1,0,0]=3 187 B12R1.232 OC=1C=C(O)C(=CC1C(O)=O)Br BCP11519 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.367 COC(=O)c1cnc(c(c1)Br)Cl BCP09354 [0,2,0,0,0,0|2,0,0]=4 189 B12R1.367 O=C(NO)C1=CC=C(O)C(O)=C1 BCP16846 [0,2,0,0,0,0|0,0,0]=2 190 B12R1.367 O=C(OC)C1=CC(N)=C(N)C=C1 BCP15323 [0,2,0,0,0,0|1,0,0]=3 191 B12R1.367 O=C(OC)C1=CC(N)=C(O)C=C1 BCP21850 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.367 O=C(OC)C1=CC=C(N)C(Br)=C1 BCP05740 [0,2,0,0,0,0|1,0,0]=3 193 B12R1.367 O=C(OC)C1=CC=C(O)C(Br)=C1 BCP10111 [0,2,0,0,0,0|1,0,0]=3 194 B12R1.367 OC(CN)C1=CC=C(O)C(O)=C1 BCP13658 [0,2,0,0,0,0|1,0,1]=4 195 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04226 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04227 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.367 OC1=CC=C([C@@H](O)CN)C=C1O BCP13659 [0,2,0,0,0,0|1,0,1]=4 198 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 BCP15870 [0,2,0,0,0,0|0,0,0]=2 199 B12R1.1005 OC(C1=CC(O)=C(O)C(O)=C1)=O BCP18127 [0,2,0,0,0,0|0,0,0]=2 200 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 BCP09224 [0,2,0,0,0,0|1,0,0]=3 201 B12R1.17 OC1=CC(C(CNC)O)=CC=C1 BCP19493 [0,2,0,0,0,0|1,0,1]=4 202 B12R1.17 O[C@@H](CNC)C1=CC(O)=CC=C1 BCP23410 [0,2,0,0,0,0|1,0,1]=4 203 B12R1.24 COC(=O)C1=C(C(=CC=C1)N)F BCP12561 [0,2,0,0,0,0|1,0,0]=3 204 B12R1.24 ClC1=C(Cl)C=CC=C1C(C#N)=O BCP15619 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.354 C1=C(C(=CC=C1Br)C)C(=O)OC BCP04196 [0,2,0,0,0,0|1,0,0]=3 206 B12R1.354 O=C(OC)C1=C(C)N=CC(Cl)=C1 BCP00991 [0,2,0,0,0,0|2,0,0]=4 207 B12R1.358 O=C(OC)C1=NC(Cl)=CC(Br)=C1 BCP06222 [0,2,0,0,0,0|2,0,0]=4 208 B12R1.435 C(#N)C1=NC=CC(=C1)C(=O)OC BCP09229 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.435 COC(=O)C1=CC=NC(CO)=C1 BCP15559 [0,2,0,0,0,0|1,0,0]=3 210 B12R1.435 COC(C1=CC(CBr)=CC=C1)=O BCP05944 [0,2,0,0,0,0|1,0,0]=3 211 B12R1.435 O=C(C1=CC(CN)=NC=C1)OC BCP16995 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.435 O=C(C1=CC(CN)=NC=C1)OC BCP19272 [0,2,0,0,0,0|2,0,0]=4 213 B12R1.435 O=C(C1=NC=CC(OC)=C1)OC BCP09360 [0,2,0,0,0,0|1,0,0]=3 214 B12R1.435 O=C(OC)C1=CC=CC(C=O)=C1 BCP16016 [0,2,0,0,0,0|0,0,1]=3 215 B12R1.435 O=C(OC)C1=CC=NC(C=O)=C1 BCP15433 [0,2,0,0,0,0|1,0,1]=4 216 B12R1.11 BrC1=CC([N+]([O-])=O)=CC(OC)=C1 BCP20490 [0,2,0,0,0,0|1,0,1]=4 217 B12R1.511 NC1=C(C)C=C(Cl)C=C1C(O)=O BCP15735 [0,2,0,0,0,0|1,0,0]=3 218 B12R1.511 O=C(O)C1=CC(Br)=CC(F)=C1N BCP24062 [0,2,0,0,0,0|1,0,0]=3 219 B12R1.128 O=S(C1=CC(O)=CC=C1O)(O)=O BCP12254 [0,2,0,0,0,0|1,0,0]=3 220 B12R1.128 O=S(C1=CC(O)=CC=C1O)([O-])=O BCP13786 [0,2,0,0,0,0|1,0,1]=4 221 B12R1.128 O=S(C1=CC(O)=CC=C1O)([O-])=O BCP13842 [0,2,0,0,0,0|1,0,1]=4 222 B12R1.440 COC1=CC=CC([N+]([O-])=O)=C1C BCP14658 [0,2,0,0,0,0|1,0,1]=4 223 B12R1.440 NC1=C(OC)C=CC=C1C(O)=O BCP06185 [0,2,0,0,0,0|0,0,0]=2 224 B12R1.440 O=C(O)C1=CC=CC(OC)=C1C BCP19993 [0,2,0,0,0,0|0,0,0]=2 225 B12R1.440 O=C(O)C1=CC=NC(OC)=C1N BCP05762 [0,2,0,0,0,0|1,0,0]=3 226 B12R1.894 O=C(O)C1=C(F)C=CC(N)=C1F BCP09288 [0,2,0,0,0,0|1,0,0]=3 227 B12R1.46 OB(O)C1=C(OC)C=CC(O)=C1 BCP06898 [0,2,0,0,0,0|1,0,1]=4 228 B12R1.453 COc1ccc(c(c1)C(=O)N)N BCP12915 [0,2,0,0,0,0|1,0,0]=3 229 B12R1.453 FC1=C(B(O)O)C=C(OC)C=C1 BCP15315 [0,2,0,0,0,0|1,0,1]=4 230 B12R1.453 NC1=CN=C(OC)C=C1C(O)=O BCP15573 [0,2,0,0,0,0|1,0,0]=3 231 B12R1.453 O=C(O)C1=CC(OC)=CC=C1N BCP10331 [0,2,0,0,0,0|0,0,0]=2 232 B12R1.258 O=C(O)C1=CC=CC([N+]([O-])=O)=C1 BCP08709 [0,2,0,0,0,0|0,0,1]=3 233 B12R1.258 OB(O)C1=CC=CC([N+]([O-])=O)=C1 BCP18407 [0,2,0,0,0,0|1,0,1]=4 234 B10R1.23 OC(=O)C(=O)C1=CC=CO1 BCP12669 [0,0,1,1,0,0|1,0,0]=3 235 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [1,0,0,1,0,0|1,0,1]=4 236 B12R2.202 FC1=CC=CC=2CC(NC21)=O BCP05932 [0,0,0,1,0,1|2,0,0]=4 237 B12R2.202 O=C1NC2=C(C1)C(Br)=CC=C2 BCP05909 [0,0,0,1,0,1|2,0,0]=4 238 B12R2.606 O=C1OC2=CC=C(Cl)C=C2N1 BCP07916 [0,0,0,1,0,1|1,0,0]=3 239 B12R2.606 SC1=NC2=C(C=CC(Cl)=C2)O1 BCP15804 [0,0,0,1,0,1|1,1,0]=4 240 B12R2.132 Brc1ccc2c(c1)C(=O)OC2 BCP20630 [0,1,0,1,0,0|1,0,0]=3 241 B12R2.132 O=C1C2=C(CC1)C=CC(F)=C2 BCP04453 [0,1,0,1,0,0|2,0,0]=4 242 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 BCP16277 [0,1,0,1,0,0|2,0,0]=4 243 B12R2.196 NC1=NOC2=C(Br)C=CC=C12 BCP17590 [0,1,0,1,0,0|2,0,0]=4 244 B8R1.1 O=CC1=CC(Br)=CN1 BCP05404 [1,0,0,0,1,0|2,0,0]=4 245 B8R1.7 C1=C(C(=O)O)C=NO1 BCP10174 [1,0,0,0,1,0|2,0,0]=4 246 B8R1.7 O=C(C1=CC=CS1)O BCP15028 [1,0,0,0,1,0|1,0,0]=3 247 B8R1.7 O=C(C1=CNC=C1)O BCP08157 [1,0,0,0,1,0|1,0,0]=3 248 B8R1.7 O=C(Cl)C1=CC=CO1 BCP14910 [1,0,0,0,1,0|2,0,0]=4 249 B8R1.7 OC(=O)c1c[nH]nc1 BCP06636 [1,0,0,0,1,0|2,0,0]=4 250 B8R1.7 OC(=O)c1cc[nH]n1 BCP11490 [1,0,0,0,1,0|2,0,0]=4 251 B8R1.7 OC(C1=CNC=N1)=O BCP05792 [1,0,0,0,1,0|2,0,0]=4 252 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [1,0,0,0,0,1|1,0,0]=3 253 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [1,0,0,0,0,1|2,0,0]=4 254 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [1,0,0,0,0,1|1,0,0]=3 255 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [1,0,0,0,0,1|1,0,0]=3 256 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [1,0,0,0,0,1|1,0,0]=3 257 B10R1.18 OC(=O)Cc1ccncc1 BCP05255 [1,0,0,0,0,1|1,0,0]=3 258 B10R1.18 S=C(Cl)OC1=CC=CC=C1 BCP10334 [1,0,0,0,0,1|1,1,0]=4 259 B12R1.226 BrC1=CC(CCC(O)=O)=CC=C1 BCP15306 [0,0,0,0,0,2|1,0,0]=3 260 B12R1.226 C1=C(C=CC=C1CCC(O)=O)Cl BCP04483 [0,0,0,0,0,2|1,0,0]=3