0 B10R1.30 BrC1=CC=C(Cl)C=C1C=O BCP05871 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.30 BrC1=CC=C(F)C=C1C=O BCP14475 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.30 BrC1=CC=C(N)C=C1OC BCP05908 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.30 C1=C(C(=CC=C1F)O)C=O BCP18438 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.30 COC1=CC(Br)=CN=C1N BCP10187 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.30 ClC=1C=CC(=CC1OC)N BCP15300 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.30 FC=1C=CC(=CC1OC)O BCP10034 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.30 NC1=CC=C(Br)C=C1C#N BCP13925 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.30 NC1=CC=C(F)C=C1OC BCP11916 [0,0,0,0,0,0|2,0,0]=2 9 B10R1.30 OC=1C=CC(=CC1OC)C BCP19090 [0,0,0,0,0,0|0,0,0]=0 10 B10R1.30 OC=1C=CC(=NC1CC)C BCP13392 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.30 OC=1C=CC(=NC1CC)C BCP13396 [0,0,0,0,0,0|2,0,0]=2 12 B10R1.30 OC=1C=CC(=NC1CC)C BCP13397 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.2 CC1=CN=CC(CCl)=C1 BCP15251 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.2 CC1=NC=CC(=C1)C#N BCP19217 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.2 CCC1=CC(N)=NC=C1 BCP14171 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 CNC1=CC=CC(Cl)=N1 BCP10999 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.2 COC1=CC=NC(Cl)=C1 BCP09377 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.2 COC1=NC=CC(I)=C1 BCP10195 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.2 COC1=NC=CC(N)=C1 BCP05654 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.2 NC1=CC=CC(C#C)=C1 BCP09426 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.2 NC1=NC(=CN=C1)OC BCP09100 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.2 O=C1C=C(OC)C=NN1 BCP20543 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.2 OC1=CC=CC(C#C)=C1 BCP07104 [1,0,0,0,0,0|2,0,1]=4 24 B9R1.2 OCC1=CC(C)=CN=C1 BCP16511 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 CC1=CC=CC=C1CN BCP14971 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.15 CNC1=CC=CC=C1N BCP19652 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.15 IC1=C(C=O)C=CC=C1 BCP07495 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.15 NC1=C(C=O)C=CC=C1 BCP07330 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.15 NC1=NC=CC=C1CC BCP11445 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.15 NC1=NC=CC=C1OC BCP12904 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.15 OC1=CC=CN=C1CO BCP11425 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 OCC1=NC=CC=C1O BCP14980 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.69 BrC1=CC(N)=CC=C1O BCP17497 [1,0,0,0,0,0|2,0,0]=3 34 B9R1.69 BrC1=CN(C)C(C=C1)=O BCP06442 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.69 C1=C(C=C(C(=C1)Cl)Cl)Br BCP15301 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.69 CC1=C(I)C=CC(C)=C1 BCP09622 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.69 CC1=CC=C(F)C(Br)=N1 BCP06450 [1,0,0,0,0,0|3,0,0]=4 38 B9R1.69 CC1=CC=C(I)C(Br)=C1 BCP18601 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.69 Cc1ccc(c(n1)C)N BCP10992 [1,0,0,0,0,0|2,0,0]=3 40 B9R1.69 ClC1=C(N)C=CC(N)=C1 BCP19761 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.69 ClC1=C(N)C=CC(O)=C1 BCP09854 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.69 ClC1=CC(O)=CC=C1N BCP11294 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 Clc1ccc(c(n1)C)Br BCP11807 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.69 FC1=C(Br)C=CC(N)=C1 BCP18515 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.69 FC1=C(Br)C=CC(O)=C1 BCP05735 [1,0,0,0,0,0|3,0,0]=4 46 B9R1.69 FC1=C(N)C=CC(I)=C1 BCP11544 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.69 FC1=C(O)C=C(Br)C=C1 BCP11750 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.69 FC1=C(O)C=CC(Br)=C1 BCP05907 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.69 FC1=CC=C(F)C=C1Br BCP18574 [1,0,0,0,0,0|3,0,0]=4 50 B9R1.69 NC1=CC(Br)=CC=C1N BCP08763 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.69 NC1=CC(C)=NC=C1Br BCP20478 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.69 NC1=CC(O)=CC=C1Br BCP04518 [1,0,0,0,0,0|3,0,0]=4 53 B9R1.69 NC1=NC(C)=CC=C1N BCP07640 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.69 NC1=NC=C(Br)C(C)=C1 BCP02995 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.69 NC1=NC=C(C)C=C1N BCP10192 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.69 O=C1C=C(O)C(Cl)=CN1 BCP05824 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.69 OC1=CC(Cl)=CC=C1I BCP08793 [1,0,0,0,0,0|2,0,0]=3 58 B9R1.69 OC1=CC(F)=C(N)C=C1 BCP07694 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.69 OC1=CC(F)=CC=C1N BCP08920 [1,0,0,0,0,0|2,0,0]=3 60 B9R1.69 OC1=CC=C(Br)C(Cl)=C1 BCP05734 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.69 OC1=CC=C(Cl)C=C1I BCP08792 [1,0,0,0,0,0|2,0,0]=3 62 B9R1.69 OC1=CC=C(I)C(F)=C1 BCP05732 [1,0,0,0,0,0|3,0,0]=4 63 B9R1.69 OC1=CC=C(N)C(F)=C1 BCP19739 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.69 SC1=CC=C(C)C=C1C BCP08967 [1,0,0,0,0,0|0,1,0]=2 65 B11R1.8 OC=1C(Br)=CC(=CC1C=O)Br BCP06387 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.37 COC1=C(C#N)C=NC(=C1)Cl BCP08269 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.37 COC1=C(C=CC(=N1)Cl)C=O BCP18468 [0,1,0,0,0,0|2,0,1]=4 68 B11R1.37 COC1=CC=C(Cl)C=C1C=O BCP06178 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.37 N#CC1=CC=C(N)C=C1OC BCP11251 [0,1,0,0,0,0|2,0,0]=3 70 B11R1.37 O=CC1=C(OC)C=C(O)C=C1 BCP10291 [0,1,0,0,0,0|1,0,1]=3 71 B11R1.167 CC(C1=C(C=CC(F)=C1)I)=O BCP07101 [0,1,0,0,0,0|3,0,0]=4 72 B11R1.167 OC=1C=CC(=CC1C(O)=O)N BCP05326 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.277 ClC=1C=C(Cl)C(=CC1OC)N BCP07142 [0,1,0,0,0,0|2,0,0]=3 74 B11R1.280 FC1=CC=C(C=O)C=C1OC BCP09723 [0,1,0,0,0,0|1,0,1]=3 75 B11R1.280 OC1=C(OC)C=C(CC)C=C1 BCP19091 [0,1,0,0,0,0|0,0,0]=1 76 B11R2.36 Brc1ccc2c(c1)CCO2 BCP08601 [0,0,0,1,0,0|2,0,0]=3 77 B11R2.36 Brc1ccc2c(c1)cco2 BCP01211 [0,0,0,1,0,0|2,0,1]=4 78 B11R2.36 CC1=CC2=C(C=C1)C=CN2 BCP00914 [0,0,0,1,0,0|2,0,1]=4 79 B11R2.36 NC1=CC=C2OCCC2=C1 BCP19517 [0,0,0,1,0,0|2,0,0]=3 80 B11R2.36 OC1=CC2=C(C=C1)OCO2 BCP14043 [0,0,0,1,0,0|1,0,0]=2 81 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|1,1,0]=4 82 B8R1.4 BrC1=CC=NC(O)=C1 BCP01174 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.4 C1=C(C=NC=C1Cl)O BCP10855 [2,0,0,0,0,0|2,0,0]=4 84 B8R1.4 CC1=CC=CC(N)=C1 BCP15285 [2,0,0,0,0,0|1,0,0]=3 85 B8R1.4 Cc1ccnc(c1)N BCP05096 [2,0,0,0,0,0|2,0,0]=4 86 B8R1.4 NC1=CC(F)=CC=C1 BCP13758 [2,0,0,0,0,0|2,0,0]=4 87 B8R1.4 SC1=CC=CC(N)=C1 BCP18600 [2,0,0,0,0,0|1,1,0]=4 88 B8R1.5 Brc1cccnc1O BCP11402 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.5 CC1=C(N)C=CC=C1 BCP17522 [2,0,0,0,0,0|1,0,0]=3 90 B8R1.5 CC1=NC=CC=C1F BCP04309 [2,0,0,0,0,0|2,0,0]=4 91 B8R1.5 ClC1=C(Cl)C=CC=C1 BCP08071 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.5 IC1=C(I)C=CC=C1 BCP05858 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.5 OC1=CC=CC=[N+]1[O-] BCP13006 [2,0,0,0,0,0|1,0,1]=4 94 B8R1.5 SC1=CC=CC=C1Br BCP09623 [2,0,0,0,0,0|1,1,0]=4 95 B8R1.3 BrC1=CN=C(C)C=C1 BCP13752 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.3 CC1=CC=C(Cl)N=C1 BCP19250 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.3 FC1=CC=C(C)N=C1 BCP05119 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.3 NC1=CC=C(C)N=C1 BCP05413 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.3 NC=1C=CC(=CN1)C BCP16835 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.3 O=C1C=CC(C)=CN1 BCP20199 [2,0,0,0,0,0|1,0,1]=4 101 B8R1.3 OC1=CC=C(Br)C=C1 BCP17755 [2,0,0,0,0,0|1,0,0]=3 102 B8R1.3 OC1=CC=C(I)C=C1 BCP14445 [2,0,0,0,0,0|1,0,0]=3 103 B8R1.3 SC1=CC=C(N)C=C1 BCP18598 [2,0,0,0,0,0|1,1,0]=4 104 B10R1.2 OC1=C(OC)C=CC=C1Br BCP04858 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.8 COC1=CC(Br)=NC(Br)=C1 BCP10088 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.8 NC1=CC(OC)=CC(Br)=C1 BCP20491 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.113 N[C@@H](C)C1=CC(Br)=CC=C1 BCP09419 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.113 N[C@@H](C)C1=CC(F)=CC=C1 BCP09418 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.113 N[C](C)C1=CC(F)=CC=C1 BCP09417 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.172 CNC1=NC(OC)=CC=C1 BCP20247 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.172 COC1=CC(CCl)=CC=C1 BCP18627 [1,1,0,0,0,0|0,0,0]=2 114 B10R1.172 COC1=CC(SC)=CC=C1 BCP17523 [1,1,0,0,0,0|0,0,0]=2 115 B10R1.172 COC1=CC=NC(OC)=C1 BCP10991 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.172 NCC1=CC=CC(OC)=C1 BCP11237 [1,1,0,0,0,0|0,0,0]=2 117 B10R1.172 O=CC1=CC=CC(CC)=C1 BCP06175 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.176 CC1=C(C)C=C(CN)C=C1 BCP18640 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.176 COC1=CC(N)=C(C)C=C1 BCP05922 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.176 COC1=CC=C(Cl)C(O)=C1 BCP11272 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.176 NC1=CC=C(N=C1C)OC BCP07731 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.20 CCC1=C(C=O)C=CC=C1 BCP06174 [1,1,0,0,0,0|1,0,1]=4 123 B10R1.20 COC1=C(CN)C=CC=C1 BCP11246 [1,1,0,0,0,0|1,0,0]=3 124 B10R1.20 OCC1=CC=CN=C1NC BCP15519 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.25 NC1=CC(F)=CC=C1OC BCP05920 [1,1,0,0,0,0|1,0,0]=3 126 B10R1.25 NC1=CC=C(OC)C(F)=C1 BCP05898 [1,1,0,0,0,0|1,0,0]=3 127 B10R1.25 O=CC1=CC=C(Br)C=C1O BCP00254 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.25 OC1=CC(Br)=CC=C1OC BCP13373 [1,1,0,0,0,0|0,0,0]=2 129 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.61 CN(C)C1=CC=CC=C1Br BCP05527 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.61 C[C](N)C1=CC=CC=C1Br BCP20468 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.245 O=C1C(OC)=C(C)NC=C1 BCP16936 [1,1,0,0,0,0|1,0,1]=4 135 B10R1.245 O=CC=1C(O)=CC=CC1O BCP16333 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.22 NC1=C(Br)C=C(Br)C=C1C BCP19337 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.22 NC1=C(Cl)C=C(Br)C=C1C BCP19369 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.22 NC1=CC(C)=C(C)C(C)=C1 BCP04550 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.22 OC1=C(C)C=C(C)C=C1C BCP11227 [1,1,0,0,0,0|0,0,0]=2 140 B10R1.118 CC1=C(Br)N=C(Br)C(C)=C1 BCP12509 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.118 NC1=C(Cl)C=C(Cl)C(O)=C1 BCP11292 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.118 NC1=C(F)C=C(Br)C(C)=C1 BCP18378 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.118 NC1=CC(N)=C(O)C=C1O BCP18793 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.119 CC1=C(C)C=CC(C)=C1C BCP07046 [1,1,0,0,0,0|1,0,0]=3 145 B10R1.119 NC1=C(Cl)C(C)=CC=C1Cl BCP12674 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.119 O=C1C(O)=C(C)N(C)C=C1 BCP09606 [1,1,0,0,0,0|1,0,1]=4 147 B12R1.300 O=CC1=CC(OC)=C(O)C(O)=C1 BCP09236 [0,2,0,0,0,0|0,0,1]=3 148 B12R1.57 COC1=CC(F)=CC=C1[N+]([O-])=O BCP18514 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.78 NCC1=CC=C(OC)C(OC)=C1 BCP18641 [0,2,0,0,0,0|0,0,0]=2 150 B12R1.78 O=CC1=C(OC)C=CC(OC)=C1 BCP05725 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.654 ClCC1=NC=C(C)C(OC)=C1C BCP04510 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.354 C1=C(C(=CC=C1Br)C)C(=O)OC BCP04196 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.1123 OC1=CC(CCN)=C(O)C=C1O BCP18603 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.450 COc1cc(Br)c(cc1O)C=O BCP17233 [0,2,0,0,0,0|1,0,0]=3 155 B12R1.56 NC1=CC=C(C(O)=O)C=C1OC BCP01505 [0,2,0,0,0,0|1,0,1]=4 156 B12R1.56 O=[N+](C1=CC=C(F)C(OC)=C1)[O-] BCP05879 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.56 OC1=C(OC)C=C([N+]([O-])=O)C=C1 BCP17330 [0,2,0,0,0,0|1,0,0]=3 158 B10R2.7 C=12C=CC=CC1OBO2 BCP15959 [1,0,0,1,0,0|1,0,0]=3 159 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [1,0,0,1,0,0|0,0,0]=2 160 B12R2.24 BrC1=CC=C2OCCNC2=C1 BCP10058 [0,1,0,1,0,0|2,0,0]=4 161 B12R2.24 C1=C2COCCC2=CC(=C1)Br BCP08491 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.24 OC1=CC2=C(C=C1)OCCO2 BCP02986 [0,1,0,1,0,0|1,0,0]=3 163 B12R2.612 Cc1ccc2c(c1)CCC2=O BCP09170 [0,1,0,1,0,0|1,0,1]=4 164 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 BCP11607 [0,1,0,1,0,0|1,0,1]=4 165 B12R2.82 NC=1C2=C(C=CC1Cl)OCO2 BCP13043 [0,1,0,1,0,0|1,0,0]=3 166 B12R2.44 NCC1=CC=C2OCOC2=C1 BCP20906 [0,1,0,1,0,0|0,0,0]=2 167 B12R2.44 O=CC=1C=CC2=C(C1)CCO2 BCP18922 [0,1,0,1,0,0|1,0,1]=4 168 B12R2.44 OCC1=CC=C2OCCC2=C1 BCP14015 [0,1,0,1,0,0|1,0,0]=3 169 B8R1.11 CC1=C(SC)C=CO1 BCP11303 [1,0,0,0,1,0|1,1,0]=4