0 B10R1.13 BrC1=CN=C(C=N1)C(=O)O BCP04439 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 CC(C1=NC=C(Br)C=N1)=O BCP20538 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 BCP07421 [0,0,0,0,0,0|2,0,1]=3 3 B10R1.13 C[C](N)C1=CC=C(F)C=C1 BCP12200 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.13 Cc1ccc(cn1)B(O)O BCP03648 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] BCP10982 [0,0,0,0,0,0|3,0,1]=4 6 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.13 FC1=CC=C(B(O)O)C=N1 BCP14367 [0,0,0,0,0,0|3,0,1]=4 8 B10R1.13 NC(C1=CC=C(N)C=C1)=N BCP12270 [0,0,0,0,0,0|3,0,0]=3 9 B10R1.13 N[C@@H](C)C1=CC=C(Br)C=C1 BCP07969 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 N[C](C)C1=CC=C(Br)C=C1 BCP09414 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.13 N[C](C)C1=CC=C(Cl)C=C1 BCP09416 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 N[C](C)C=1C=CC(=CC1)F BCP12199 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.13 O=C(C1=NC=C(C)N=C1)O BCP04707 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.13 O=C(O)C1=CN=C(O)N=C1 BCP11778 [0,0,0,0,0,0|2,0,0]=2 16 B10R1.13 O=[N+](C1=CC=C(I)C=C1)[O-] BCP14439 [0,0,0,0,0,0|2,0,1]=3 17 B10R1.13 O=[N+](C1=CC=[N+]([O-])C=C1)[O-] BCP16314 [0,0,0,0,0,0|2,0,2]=4 18 B10R1.13 O=[N+](C1=NC=C(F)C=C1)[O-] BCP10979 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.13 O=[N+]([O-])C1=CC=C(Cl)C=N1 BCP09359 [0,0,0,0,0,0|3,0,1]=4 20 B10R1.13 O=[N+]([O-])C1=CC=C(N)C=C1 BCP10655 [0,0,0,0,0,0|2,0,1]=3 21 B10R1.13 OB(O)C1=CC=C(S)C=C1 BCP06691 [0,0,0,0,0,0|1,1,1]=3 22 B10R1.13 OB(O)C1=NC=C(F)C=C1 BCP06197 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.13 OC(C1=CC=[N+]([O-])C=C1)=O BCP10688 [0,0,0,0,0,0|1,0,1]=2 24 B10R1.13 OC1=CC=C(B(O)O)C=C1 BCP03521 [0,0,0,0,0,0|1,0,1]=2 25 B10R1.13 OC1=CC=C(C(=S)N)C=C1 BCP12826 [0,0,0,0,0,0|1,1,0]=2 26 B9R1.1 CC1=CC=C(C=N1)C=O BCP04829 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.1 FC1=CC=C([Mg]Br)C=C1 BCP08644 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 NC1=CC=C(C#N)C=C1 BCP04531 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.1 O=CC1=CC=C(I)C=C1 BCP05912 [1,0,0,0,0,0|1,0,0]=2 30 B9R1.1 O=CC1=CN=C(C)N=C1 BCP03539 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.1 O=CC1=CN=C(C=C1)Br BCP04709 [1,0,0,0,0,0|2,0,0]=3 32 B9R1.1 O=CC1=CN=C(Cl)N=C1 BCP25163 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.1 O=CC1=NC=C(Br)C=C1 BCP14421 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.1 O=CC1=NC=C(F)C=C1 BCP10413 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.1 OCC1=CC=C(C)N=C1 BCP15437 [1,0,0,0,0,0|2,0,1]=4 36 B9R1.1 OCC1=CC=C(S)C=C1 BCP18396 [1,0,0,0,0,0|0,1,1]=3 37 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.6 OB(O)C1=CC=NC=C1 BCP01192 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [1,0,0,0,0,0|2,0,1]=4 42 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O BCP08093 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.3 CC(C1=CC=C(SC)C=C1)=O BCP20233 [0,1,0,0,0,0|1,1,0]=3 44 B11R1.3 CNC1=CC=C([N+]([O-])=O)C=C1 BCP04516 [0,1,0,0,0,0|2,0,1]=4 45 B11R1.3 NC(=N)c1ccc(cc1)C#N BCP18655 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.3 NC(C1=CC=C(CN)C=C1)=N BCP04219 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.3 N[C](C)C1=CC=C(OC)C=C1 BCP12189 [0,1,0,0,0,0|2,0,1]=4 48 B11R1.3 O=C(O)C1=CN=C(NC)N=C1 BCP20853 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.3 O=C(O)C1=NC=C(C#N)C=C1 BCP08290 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.3 O=[N+](C1=CC=C(C#C)C=C1)[O-] BCP14406 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.3 O=[N+]([O-])C1=CC=C(C#N)C=C1 BCP13970 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 BCP15778 [0,1,0,0,0,0|1,0,1]=3 53 B11R1.3 OB(C1=CC=C(OC)C=C1)O BCP03522 [0,1,0,0,0,0|1,0,1]=3 54 B11R1.3 OB(O)C1=CC=C(C#N)C=C1 BCP12932 [0,1,0,0,0,0|2,0,1]=4 55 B11R1.3 OB(O)C1=CC=C(OC)N=C1 BCP07170 [0,1,0,0,0,0|2,0,1]=4 56 B11R1.3 OC(C1=CC=C(C#C)C=C1)=O BCP20454 [0,1,0,0,0,0|1,0,0]=2 57 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O BCP08001 [0,1,0,0,0,0|2,0,0]=3 58 B11R1.19 CC1=CC=C(S(=O)(O)=O)C=C1 BCP19430 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O BCP10390 [0,1,0,0,0,0|2,0,0]=3 60 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O BCP14881 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.19 O=S(C1=CC=C(F)C=C1)(Cl)=O BCP15286 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O BCP01685 [0,1,0,0,0,0|2,0,0]=3 63 B11R1.21 CC(C1=CC=C(F)C(N)=C1)=O BCP10115 [0,1,0,0,0,0|2,0,0]=3 64 B11R1.21 N=C(N)C1=CC=C(F)C(F)=C1 BCP17077 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.21 NC(C1=CC(N)=C(C)C=C1)=O BCP14925 [0,1,0,0,0,0|2,0,0]=3 66 B11R1.21 O=C(Cl)C1=CC(I)=C(C)C=C1 BCP07666 [0,1,0,0,0,0|2,0,0]=3 67 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 BCP15174 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.21 O=[N+]([O-])C1=CC(Br)=C(N)C=C1 BCP05869 [0,1,0,0,0,0|2,0,1]=4 69 B11R1.21 O=[N+]([O-])C1=CC(F)=C(N)C=C1 BCP05877 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.21 O=[N+]([O-])C1=CC(N)=C(Br)C=C1 BCP05873 [0,1,0,0,0,0|2,0,1]=4 71 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 BCP19576 [0,1,0,0,0,0|1,0,1]=3 72 B11R1.21 OB(O)C1=CC(Cl)=C(F)C=C1 BCP06961 [0,1,0,0,0,0|2,0,1]=4 73 B11R1.21 OC(C1=CC(N)=C(Br)C=C1)=O BCP05730 [0,1,0,0,0,0|1,0,0]=2 74 B11R1.21 OC(C1=CC=C(I)C(O)=C1)=O BCP09356 [0,1,0,0,0,0|1,0,0]=2 75 B11R1.21 OC(C1=C[N+]([O-])=C(C)C=N1)=O BCP28412 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.22 BrC1=CC=C(C(CN)=O)C=C1 BCP24959 [0,1,0,0,0,0|2,0,0]=3 77 B11R1.22 FC1=CC=C([C](CCl)O)C=C1 BCP12170 [0,1,0,0,0,0|2,0,1]=4 78 B11R1.166 BrC1=C(C(O)=O)C=CC(Cl)=C1 BCP15958 [0,1,0,0,0,0|1,0,0]=2 79 B11R1.166 Brc1ccc(c(c1)O)C(=O)C BCP18244 [0,1,0,0,0,0|2,0,0]=3 80 B11R1.166 Cc1ccc(c(c1)F)B(O)O BCP18410 [0,1,0,0,0,0|2,0,1]=4 81 B11R1.166 ClC1=C(B(O)O)C=CC(C)=C1 BCP13673 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.166 ClC1=C(C(O)=O)C=CC(Cl)=N1 BCP08665 [0,1,0,0,0,0|2,0,0]=3 83 B11R1.166 ClC1=C(C(O)=O)C=CC(N)=C1 BCP01197 [0,1,0,0,0,0|1,0,0]=2 84 B11R1.166 ClC1=NC(Cl)=CC=C1C(C)=O BCP09337 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.166 FC1=C(C(N)=O)C=CC(Br)=C1 BCP14494 [0,1,0,0,0,0|2,0,0]=3 86 B11R1.166 FC1=C(C(O)=O)C=CC(C)=C1 BCP09722 [0,1,0,0,0,0|1,0,0]=2 87 B11R1.166 FC1=C([N+]([O-])=O)C=CC(N)=C1 BCP05899 [0,1,0,0,0,0|2,0,1]=4 88 B11R1.166 NC1=C(C(O)=O)C=CC(F)=C1 BCP09507 [0,1,0,0,0,0|1,0,0]=2 89 B11R1.166 NC1=CC(Br)=CC=C1C(O)=O BCP14460 [0,1,0,0,0,0|1,0,0]=2 90 B11R1.166 O=C(C1=CC=C(C)N=C1Cl)O BCP09379 [0,1,0,0,0,0|2,0,0]=3 91 B11R1.166 O=C(C1=CN=C(N)C=C1C)O BCP10477 [0,1,0,0,0,0|2,0,0]=3 92 B11R1.166 O=C(O)C1=C(C)N=C(Cl)C=C1 BCP14859 [0,1,0,0,0,0|2,0,0]=3 93 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F BCP13399 [0,1,0,0,0,0|1,0,0]=2 94 B11R1.166 OC1=C(C(O)=O)C=CC(N)=C1 BCP18565 [0,1,0,0,0,0|1,0,0]=2 95 B11R1.166 OC1=C(C(O)=O)C=NC(C)=C1 BCP17538 [0,1,0,0,0,0|2,0,0]=3 96 B11R2.34 FC1=CC=C([C@@H]2OC2)C=C1 BCP13087 [0,0,0,1,0,0|2,0,1]=4 97 B11R2.34 FC1=CC=C([C]2OC2)C=C1 BCP12175 [0,0,0,1,0,0|2,0,1]=4 98 B9R1.35 Cc1ncc(s1)C(=O)O BCP05391 [0,0,0,0,1,0|3,0,0]=4 99 B9R1.35 O=C(C1=CC=C(C)S1)O BCP05923 [0,0,0,0,1,0|2,0,0]=3 100 B9R1.35 O=C(C1=CC=C(F)S1)O BCP06836 [0,0,0,0,1,0|2,0,0]=3 101 B9R1.35 O=C(Cl)C1=CC=C(Cl)S1 BCP11850 [0,0,0,0,1,0|3,0,0]=4 102 B9R1.35 O=C(O)C1=CC(O)=NO1 BCP08277 [0,0,0,0,1,0|2,0,0]=3 103 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BCP05839 [0,0,0,0,1,0|2,0,0]=3 104 B9R1.35 O=C(O)C1=NC(Br)=CS1 BCP11583 [0,0,0,0,1,0|3,0,0]=4 105 B11R1.20 CC(NC1=CC=C(O)C=C1)=O BCP23431 [0,0,0,0,0,1|1,0,0]=2 106 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 BCP18597 [0,0,0,0,0,1|2,0,0]=3 107 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [2,0,0,0,0,0|2,0,0]=4 108 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|1,0,1]=4 109 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 110 B8R1.3 O=C1C=CC(C)=CN1 BCP20199 [2,0,0,0,0,0|2,0,0]=4 111 B8R1.3 O=C1C=CC(N)=CN1 BCP05414 [2,0,0,0,0,0|2,0,0]=4 112 B8R1.3 OC1=CC=C(Br)C=C1 BCP17755 [2,0,0,0,0,0|1,0,0]=3 113 B8R1.3 OC1=CC=C(I)C=C1 BCP14445 [2,0,0,0,0,0|1,0,0]=3 114 B8R1.3 SC1=CC=C(N)C=C1 BCP18598 [2,0,0,0,0,0|1,1,0]=4 115 B10R1.3 NCC1=CC=C(OC)C=C1 BCP11229 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.3 OCC1=CC=C(C=O)C=C1 BCP07175 [1,1,0,0,0,0|0,0,0]=2 117 B10R1.3 OCc1ccc(cc1)C#C BCP06953 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.25 CC1=CC(O)=CC=C1C=O BCP10259 [1,1,0,0,0,0|0,0,0]=2 119 B10R1.25 O=CC1=CC=C(Br)C=C1O BCP00254 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.25 O=CC1=CC=C(O)C=C1Cl BCP16836 [1,1,0,0,0,0|0,0,0]=2 121 B10R1.25 OCC1=CC=C(Br)C=C1Br BCP17133 [1,1,0,0,0,0|1,0,1]=4 122 B10R1.176 ClC1=C(Br)C=CC(C=O)=C1 BCP14717 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BCP00880 [1,1,0,0,0,0|0,0,0]=2 124 B10R1.176 O=Cc1cnc(c(c1)C)Cl BCP08525 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.15 O=C(NN)C1=CC=NC=C1 BCP13791 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.61 CC(=O)c1cccnc1Cl BCP10419 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.61 ClC1=C(C(N)=O)C=NC=C1 BCP06914 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [1,1,0,0,0,0|1,0,1]=4 130 B10R1.61 IC1=NC=CN=C1C(=O)O BCP04704 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.61 NC1=C([N+]([O-])=O)C=CC=C1 BCP05324 [1,1,0,0,0,0|1,0,1]=4 132 B10R1.61 NC1=CC=CC=C1B(O)O BCP14682 [1,1,0,0,0,0|1,0,1]=4 133 B10R1.61 O=C(C1=C(N)C=NC=C1)O BCP09357 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.61 O=C(C1=NC=CNC1=O)O BCP03022 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.61 O=C(O)C1=C(C)N=CN=C1 BCP06023 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.61 O=C(O)C=1C=NC=CC1Br BCP05403 [1,1,0,0,0,0|1,0,0]=3 137 B10R1.61 O=C1C(C(C)=O)=CC=CN1 BCP28633 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.61 OB(c1ccccc1Br)O BCP11801 [1,1,0,0,0,0|1,0,1]=4 139 B10R1.61 OC(=O)c1ccncc1C BCP06101 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [1,1,0,0,0,0|0,0,0]=2 141 B10R1.113 C1=C(C=CC=C1Br)B(O)O BCP22684 [1,1,0,0,0,0|1,0,1]=4 142 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.113 ClC1=CC(C(Cl)=O)=NC=C1 BCP15510 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.113 FC1=CC(B(O)O)=CC=C1 BCP13763 [1,1,0,0,0,0|1,0,1]=4 145 B10R1.113 Fc1nccc(c1)C(=O)O BCP10414 [1,1,0,0,0,0|1,0,0]=3 146 B10R1.113 N=C(C1=CC(Cl)=CC=C1)N BCP17079 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.113 N=C(N)C1=CC=CC(F)=C1 BCP17080 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.113 NC(C1=CC(Cl)=CC=N1)=O BCP11594 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [1,1,0,0,0,0|2,0,0]=4 150 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [1,1,0,0,0,0|2,0,0]=4 151 B10R1.113 O=C(C1=CC(Cl)=NC=C1)N BCP07880 [1,1,0,0,0,0|2,0,0]=4 152 B10R1.113 O=C(C1=CC(N)=NC=C1)O BCP00191 [1,1,0,0,0,0|1,0,0]=3 153 B10R1.113 O=C(O)C1=CC=NC(Cl)=N1 BCP06806 [1,1,0,0,0,0|2,0,0]=4 154 B10R1.113 O=C1NN=CC(=C1)C(=O)O BCP03769 [1,1,0,0,0,0|2,0,0]=4 155 B10R1.113 O=[N+](C1=CC(F)=CC=C1)[O-] BCP16131 [1,1,0,0,0,0|1,0,1]=4 156 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 BCP18660 [1,1,0,0,0,0|1,0,1]=4 157 B10R1.113 OC(C1=NC=NC(O)=C1)=O BCP06262 [1,1,0,0,0,0|2,0,0]=4 158 B10R1.113 Oc1cccc(c1)B(O)O BCP03518 [1,1,0,0,0,0|1,0,1]=4 159 B10R1.58 OC(C1=CC(Cl)=C(Cl)S1)=O BCP06761 [0,1,0,0,1,0|2,0,0]=4 160 B12R1.4 O=C(O)CC1=CC=C(C#N)C=C1 BCP15472 [0,1,0,0,0,1|1,0,0]=3 161 B12R1.19 C1=C(C=CC(=C1Cl)O)NC(C)=O BCP20088 [0,1,0,0,0,1|1,0,0]=3 162 B12R1.19 OC1=CC(CC(C)=O)=CC=C1O BCP28119 [0,1,0,0,0,1|1,0,0]=3 163 B12R1.20 O=C(O)C(Br)C1=CC=C(Cl)C=C1 BCP05934 [0,1,0,0,0,1|1,0,0]=3 164 B12R1.49 BrC1=CC=C(CC(OC)=O)C=C1 BCP16335 [0,1,0,0,0,1|1,0,0]=3 165 B12R1.49 O=C(CC)NC1=CC=C(O)C=C1 BCP10463 [0,1,0,0,0,1|1,0,0]=3 166 B12R1.49 O=C(CCl)NC1=CC=C(Cl)C=C1 BCP08999 [0,1,0,0,0,1|2,0,0]=4 167 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 BCP11098 [0,1,0,0,0,1|1,0,0]=3 168 B12R1.5 CCC(C1=CC=C(OC)C=C1)=O BCP14923 [0,2,0,0,0,0|1,0,0]=3 169 B12R1.5 COC1=CC=C([C@@H](O)CCl)C=C1 BCP12169 [0,2,0,0,0,0|1,0,1]=4 170 B12R1.5 N#CC1=CC=C(C(CBr)=O)C=C1 BCP10300 [0,2,0,0,0,0|2,0,0]=4 171 B12R1.5 NCc1ccc(cc1)C(=O)OC BCP15634 [0,2,0,0,0,0|1,0,0]=3 172 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 BCP07485 [0,2,0,0,0,0|1,0,0]=3 173 B12R1.5 O=C(OC)C1=CC=C(CCl)C=C1 BCP11096 [0,2,0,0,0,0|1,0,0]=3 174 B12R1.48 OC(C1=CC=C(C#N)C(F)=C1)=O BCP17417 [0,2,0,0,0,0|1,0,0]=3 175 B12R1.113 CC(C1=CC=C(CCBr)C=C1)=O BCP17023 [0,2,0,0,0,0|2,0,0]=4 176 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 BCP04523 [0,2,0,0,0,0|1,0,1]=4 177 B12R1.256 O=C(O)C1=CC=C(C=C1)B(O)O BCP03528 [0,2,0,0,0,0|0,0,0]=2 178 B12R1.256 OC(=O)c1ccc(nc1)[N+](=O)[O-] BCP10975 [0,2,0,0,0,0|1,0,1]=4 179 B12R1.256 OC(C1=CC=C(C(O)=O)C=C1)=O BCP06429 [0,2,0,0,0,0|0,0,0]=2 180 B12R1.452 CC1=C(B(O)O)C=CC(OC)=C1 BCP07758 [0,2,0,0,0,0|1,0,1]=4 181 B12R1.452 FC1=CC(OC)=CC=C1C(O)=O BCP20605 [0,2,0,0,0,0|0,0,0]=2 182 B12R1.452 [O-]C(C1=CC=C(OC)C=C1O)=O BCP08104 [0,2,0,0,0,0|0,0,1]=3 183 B12R1.56 C1=CC(=C(C=C1C(=O)O)C#N)O BCP28268 [0,2,0,0,0,0|0,0,0]=2 184 B12R1.56 NC1=CC=C(C(O)=O)C=C1OC BCP01505 [0,2,0,0,0,0|1,0,0]=3 185 B12R1.56 OC1=C(C=O)C=C(C(O)=O)C=C1 BCP05672 [0,2,0,0,0,0|0,0,0]=2 186 B12R1.56 OC1=C(OC)C=C([N+]([O-])=O)C=C1 BCP17330 [0,2,0,0,0,0|1,0,1]=4 187 B12R1.232 O=C(O)C1=C(F)C=C(Br)C(C)=C1 BCP09568 [0,2,0,0,0,0|1,0,0]=3 188 B12R1.232 OC=1C=C(O)C(=CC1C(O)=O)Br BCP11519 [0,2,0,0,0,0|0,0,0]=2 189 B12R1.367 COC(=O)c1cnc(c(c1)Br)Cl BCP09354 [0,2,0,0,0,0|2,0,0]=4 190 B12R1.367 O=C(NO)C1=CC=C(O)C(O)=C1 BCP16846 [0,2,0,0,0,0|0,0,0]=2 191 B12R1.367 O=C(OC)C1=CC(N)=C(N)C=C1 BCP15323 [0,2,0,0,0,0|1,0,0]=3 192 B12R1.367 O=C(OC)C1=CC(N)=C(O)C=C1 BCP21850 [0,2,0,0,0,0|0,0,0]=2 193 B12R1.367 O=C(OC)C1=CC=C(N)C(Br)=C1 BCP05740 [0,2,0,0,0,0|1,0,0]=3 194 B12R1.367 O=C(OC)C1=CC=C(O)C(Br)=C1 BCP10111 [0,2,0,0,0,0|0,0,0]=2 195 B12R1.367 OC(CN)C1=CC=C(O)C(O)=C1 BCP13658 [0,2,0,0,0,0|1,0,1]=4 196 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04226 [0,2,0,0,0,0|1,0,1]=4 197 B12R1.367 OC1=C(O)C=CC(C(CN)O)=C1 BCP04227 [0,2,0,0,0,0|1,0,1]=4 198 B12R1.367 OC1=CC=C([C@@H](O)CN)C=C1O BCP13659 [0,2,0,0,0,0|1,0,1]=4 199 B12R1.1005 O=C(O)C1=CC(O)=C(O)C(O)=C1 BCP15870 [0,2,0,0,0,0|0,0,0]=2 200 B12R1.1005 OC(C1=CC(O)=C(O)C(O)=C1)=O BCP18127 [0,2,0,0,0,0|0,0,0]=2 201 B12R1.16 C(C)OC(C1=CN=C(C=C1)Br)=O BCP11564 [0,2,0,0,0,0|2,0,0]=4 202 B12R1.16 CCOC(C1=CN=C(C=C1)Cl)=O BCP08780 [0,2,0,0,0,0|2,0,0]=4 203 B12R1.16 ClC1=CC=C(C(CC#N)=O)C=C1 BCP07748 [0,2,0,0,0,0|2,0,0]=4 204 B12R1.16 O=C(CC#N)C1=CC=C(F)C=C1 BCP16716 [0,2,0,0,0,0|2,0,0]=4 205 B12R1.16 OC(CNC)C1=CC=C(O)C=C1 BCP13680 [0,2,0,0,0,0|1,0,1]=4 206 B12R1.1703 BrC1=C(C(OC)=O)C=CC(F)=C1 BCP19381 [0,2,0,0,0,0|1,0,0]=3 207 B12R1.1703 COC(=O)c1ccc(cc1F)Br BCP15135 [0,2,0,0,0,0|1,0,0]=3 208 B12R1.1703 ClC1=C(C=CC(Cl)=C1)C(CCl)=O BCP17104 [0,2,0,0,0,0|2,0,0]=4 209 B12R1.1703 FC1=CC=C(C(CCl)=O)C(F)=C1 BCP20884 [0,2,0,0,0,0|2,0,0]=4 210 B12R1.1703 O=C(NC)C1=C(F)C=C(N)C=C1 BCP12301 [0,2,0,0,0,0|2,0,0]=4 211 B12R1.1703 O=C(OC)C1=C(Cl)N=C(Cl)C=C1 BCP10121 [0,2,0,0,0,0|2,0,0]=4 212 B12R1.1703 O=C(OC)C1=CC=C(N)C=C1F BCP19224 [0,2,0,0,0,0|1,0,0]=3 213 B12R1.1703 O=C(OC)C1=CN=C(Cl)C=C1Cl BCP05778 [0,2,0,0,0,0|2,0,0]=4 214 B12R1.1703 O=C(OC)C1=NC=C(Br)C=C1Cl BCP14970 [0,2,0,0,0,0|2,0,0]=4 215 B12R1.1000 FC1=CC(F)=CC(F)=C1C(Cl)=O BCP17049 [0,2,0,0,0,0|2,0,0]=4 216 B12R1.1000 O=C(C1=C(C)C=C(Cl)N=C1Cl)O BCP00699 [0,2,0,0,0,0|2,0,0]=4 217 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [1,0,0,1,0,0|1,0,1]=4 218 B12R2.606 O=C1NC2=NC=C(Br)C=C2O1 BCP10942 [0,0,0,1,0,1|2,0,0]=4 219 B12R2.606 O=C1OC2=CC=C(Cl)C=C2N1 BCP07916 [0,0,0,1,0,1|2,0,0]=4 220 B12R2.612 BrC1=CC=C2C(ON=C2N)=C1 BCP07722 [0,1,0,1,0,0|2,0,0]=4 221 B12R2.612 Cc1ccc2c(c1)CCC2=O BCP09170 [0,1,0,1,0,0|2,0,0]=4 222 B12R2.612 O=C1C2=CC=C(Br)C=C2CC1 BCP04452 [0,1,0,1,0,0|2,0,0]=4 223 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 BCP11607 [0,1,0,1,0,0|1,0,0]=3 224 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 BCP07412 [0,1,0,1,0,0|2,0,0]=4 225 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 BCP15704 [0,1,0,1,0,0|1,0,0]=3 226 B8R1.1 O=CC1=CC(Br)=CN1 BCP05404 [1,0,0,0,1,0|2,0,0]=4 227 B8R1.7 C1=C(C(=O)O)C=NO1 BCP10174 [1,0,0,0,1,0|2,0,0]=4 228 B8R1.7 O=C(C1=CC=CS1)O BCP15028 [1,0,0,0,1,0|1,0,0]=3 229 B8R1.7 O=C(C1=CNC=C1)O BCP08157 [1,0,0,0,1,0|1,0,0]=3 230 B8R1.7 O=C(Cl)C1=CC=CO1 BCP14910 [1,0,0,0,1,0|2,0,0]=4 231 B8R1.7 OC(=O)c1c[nH]nc1 BCP06636 [1,0,0,0,1,0|2,0,0]=4 232 B8R1.7 OC(=O)c1cc[nH]n1 BCP11490 [1,0,0,0,1,0|2,0,0]=4 233 B8R1.7 OC(C1=CNC=N1)=O BCP05792 [1,0,0,0,1,0|2,0,0]=4 234 B10R1.18 C1=NC=CC=C1CC(O)=O BCP20278 [1,0,0,0,0,1|1,0,0]=3 235 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [1,0,0,0,0,1|2,0,0]=4 236 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [1,0,0,0,0,1|1,0,0]=3 237 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [1,0,0,0,0,1|1,0,0]=3 238 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [1,0,0,0,0,1|1,0,0]=3 239 B10R1.18 OC(=O)Cc1ccncc1 BCP05255 [1,0,0,0,0,1|1,0,0]=3 240 B10R1.18 S=C(Cl)OC1=CC=CC=C1 BCP10334 [1,0,0,0,0,1|1,1,0]=4 241 B12R1.21 O=C(O)\C=C\C1=CC=C(N)N=C1 BCP19200 [0,0,0,0,0,2|2,0,0]=4