0 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [0,0,0,0,0,0|1,0,1]=2 2 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [0,0,0,0,0,0|2,1,1]=4 3 B9R1.6 OB(O)C1=CC=NC=C1 BCP01192 [0,0,0,0,0,0|3,1,0]=4 4 B9R1.6 O[C](C)C1=NC=CC=C1 BCP18401 [0,0,0,0,0,0|1,1,1]=3 5 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [1,0,0,0,0,0|1,0,2]=4 6 B8R1.2 NCC1=CC=CN=C1 BCP13872 [1,0,0,0,0,0|2,0,0]=3 7 B8R1.2 NCC1=NC=CC=N1 BCP00118 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.2 NCC1=NN=CC=C1 BCP04627 [1,0,0,0,0,0|3,0,0]=4 9 B8R1.2 OCC1=CC=CN=C1 BCP20084 [1,0,0,0,0,0|1,1,0]=3 10 B8R1.2 OCC1=CN=CN=C1 BCP04747 [1,0,0,0,0,0|2,1,0]=4 11 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 BCP07421 [0,1,0,0,0,0|0,1,0]=2 13 B10R1.13 C[C](N)C1=CC=C(F)C=C1 BCP12200 [0,1,0,0,0,0|1,0,1]=3 14 B10R1.13 NC(C1=CC=C(N)C=C1)=N BCP12270 [0,1,0,0,0,0|2,0,1]=4 15 B10R1.13 NC1=NC=C(C=C1)C(C)C BCP00188 [0,1,0,0,0,0|2,0,0]=3 16 B10R1.13 N[C@@H](C)C1=CC=C(Br)C=C1 BCP07969 [0,1,0,0,0,0|1,0,0]=2 17 B10R1.13 N[C](C)C1=CC=C(Br)C=C1 BCP09414 [0,1,0,0,0,0|1,0,1]=3 18 B10R1.13 N[C](C)C1=CC=C(Cl)C=C1 BCP09416 [0,1,0,0,0,0|1,0,1]=3 19 B10R1.13 N[C](C)C=1C=CC(=CC1)F BCP12199 [0,1,0,0,0,0|1,0,1]=3 20 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [0,1,0,0,0,0|1,1,1]=4 21 B10R1.13 O=[N+](C1=CC=C(I)C=C1)[O-] BCP14439 [0,1,0,0,0,0|2,1,0]=4 22 B10R1.13 O=[N+]([O-])C1=CC=C(N)C=C1 BCP10655 [0,1,0,0,0,0|2,1,0]=4 23 B10R1.13 OB(O)C1=CC=C(S)C=C1 BCP06691 [0,1,0,0,0,0|2,1,0]=4 24 B10R1.13 OC1=CC=C(B(O)O)C=C1 BCP03521 [0,1,0,0,0,0|2,1,0]=4 25 B10R1.13 OC1=CC=C(C(=S)N)C=C1 BCP12826 [0,1,0,0,0,0|1,0,2]=4 26 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [0,1,0,0,0,0|1,1,0]=3 27 B10R1.61 CC(=O)c1cccnc1Cl BCP10419 [0,1,0,0,0,0|1,1,1]=4 28 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [0,1,0,0,0,0|1,1,1]=4 29 B10R1.61 CN(C)C1=CC=CC=C1Br BCP05527 [0,1,0,0,0,0|2,0,0]=3 30 B10R1.61 C[C](N)C1=CC=CC=C1Br BCP20468 [0,1,0,0,0,0|1,0,1]=3 31 B10R1.61 FC1=C(C(C)O)N=CC=C1 BCP06886 [0,1,0,0,0,0|1,1,0]=3 32 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [0,1,0,0,0,0|0,1,0]=2 33 B10R1.61 NC1=C([N+]([O-])=O)C=CC=C1 BCP05324 [0,1,0,0,0,0|2,1,0]=4 34 B10R1.61 NC1=CC=CC=C1B(O)O BCP14682 [0,1,0,0,0,0|2,1,0]=4 35 B10R1.61 O=C1C(C(C)=O)=CC=CN1 BCP28633 [0,1,0,0,0,0|1,1,1]=4 36 B10R1.61 OB(c1ccccc1Br)O BCP11801 [0,1,0,0,0,0|2,1,0]=4 37 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [0,1,0,0,0,0|1,1,1]=4 38 B10R1.113 C1=C(C=CC=C1Br)B(O)O BCP22684 [0,1,0,0,0,0|2,1,0]=4 39 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [0,1,0,0,0,0|1,1,1]=4 40 B10R1.113 FC1=CC(B(O)O)=CC=C1 BCP13763 [0,1,0,0,0,0|2,1,0]=4 41 B10R1.113 N=C(C1=CC(Cl)=CC=C1)N BCP17079 [0,1,0,0,0,0|2,0,1]=4 42 B10R1.113 N=C(N)C1=CC=CC(F)=C1 BCP17080 [0,1,0,0,0,0|2,0,1]=4 43 B10R1.113 N[C@@H](C)C1=CC(Br)=CC=C1 BCP09419 [0,1,0,0,0,0|1,0,0]=2 44 B10R1.113 N[C@@H](C)C1=CC(F)=CC=C1 BCP09418 [0,1,0,0,0,0|1,0,0]=2 45 B10R1.113 N[C](C)C1=CC(F)=CC=C1 BCP09417 [0,1,0,0,0,0|1,0,1]=3 46 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [0,1,0,0,0,0|1,1,1]=4 47 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [0,1,0,0,0,0|1,1,1]=4 48 B10R1.113 O=[N+](C1=CC(F)=CC=C1)[O-] BCP16131 [0,1,0,0,0,0|2,1,0]=4 49 B10R1.113 O=[N+]([O-])C1=CC(Br)=CC=C1 BCP18660 [0,1,0,0,0,0|2,1,0]=4 50 B10R1.113 Oc1cccc(c1)B(O)O BCP03518 [0,1,0,0,0,0|2,1,0]=4 51 B10R2.6 [C]1(C2=CC=CC=C2)OC1 BCP14534 [0,0,0,1,0,0|0,1,1]=3 52 B10R1.18 CC(=O)Cc1ccncc1 BCP13413 [0,0,0,0,0,1|1,1,1]=4 53 B10R1.18 CC(NC1=CC=CC=C1)=O BCP02363 [0,0,0,0,0,1|0,1,1]=3 54 B10R1.18 NC(CC1=CC=CC=C1)=O BCP10408 [0,0,0,0,0,1|1,1,1]=4 55 B10R1.18 O=C(Cl)OC1=CC=CC=C1 BCP14449 [0,0,0,0,0,1|1,1,1]=4 56 B10R1.18 S=C(Cl)OC1=CC=CC=C1 BCP10334 [0,0,0,0,0,1|1,0,2]=4 57 B7R1.3 BrC1=CC=NC=C1 BCP05990 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.3 CC1=CC=CC=C1 BCP16202 [2,0,0,0,0,0|0,0,0]=2 59 B7R1.3 OC1=CC=NC=C1 BCP08909 [2,0,0,0,0,0|1,1,0]=4 60 B7R1.3 [O-][N+]1=CC=CC=C1 BCP10416 [2,0,0,0,0,0|1,1,0]=4 61 B9R1.1 COC1=CN=C(Br)C=C1 BCP04838 [1,1,0,0,0,0|2,0,0]=4 62 B9R1.1 ClC1=CC=C(CN)C=N1 BCP19252 [1,1,0,0,0,0|2,0,0]=4 63 B9R1.1 FC1=CC=C([Mg]Br)C=C1 BCP08644 [1,1,0,0,0,0|2,0,0]=4 64 B9R1.1 NC1=CC=C(C#N)C=C1 BCP04531 [1,1,0,0,0,0|1,0,1]=4 65 B9R1.1 O=CC1=CC=C(I)C=C1 BCP05912 [1,1,0,0,0,0|0,1,1]=4 66 B9R1.1 OCC1=CC=C(C)N=C1 BCP15437 [1,1,0,0,0,0|1,1,0]=4 67 B9R1.1 OCC1=CC=C(S)C=C1 BCP18396 [1,1,0,0,0,0|0,1,0]=3 68 B9R1.2 CC1=CN=CC(CCl)=C1 BCP15251 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.2 CCC1=CC(N)=NC=C1 BCP14171 [1,1,0,0,0,0|1,0,0]=3 70 B9R1.2 CNC1=CC=CC(Cl)=N1 BCP10999 [1,1,0,0,0,0|2,0,0]=4 71 B9R1.2 COC1=CC=NC(Cl)=C1 BCP09377 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.2 COC1=NC=CC(I)=C1 BCP10195 [1,1,0,0,0,0|2,0,0]=4 73 B9R1.2 COC1=NC=CC(N)=C1 BCP05654 [1,1,0,0,0,0|2,0,0]=4 74 B9R1.2 ClC1=NC=CC(CN)=C1 BCP01584 [1,1,0,0,0,0|2,0,0]=4 75 B9R1.2 ClC1=NC=CC(CN)=C1 BCP17040 [1,1,0,0,0,0|2,0,0]=4 76 B9R1.2 FC1=CC=CC(CBr)=N1 BCP17087 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.2 NC1=CC=CC(C#C)=C1 BCP09426 [1,1,0,0,0,0|0,0,2]=4 78 B9R1.2 OC1=CC=CC(C#C)=C1 BCP07104 [1,1,0,0,0,0|0,0,2]=4 79 B9R1.2 OCC1=CC(C)=CN=C1 BCP16511 [1,1,0,0,0,0|1,1,0]=4 80 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [1,1,0,0,0,0|1,0,0]=3 81 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [1,1,0,0,0,0|0,1,0]=3 82 B9R1.15 CC1=CC=CC=C1CN BCP14971 [1,1,0,0,0,0|1,0,0]=3 83 B9R1.15 CNC1=CC=CC=C1N BCP19652 [1,1,0,0,0,0|1,0,0]=3 84 B9R1.15 FC1=CC=CN=C1CO BCP15521 [1,1,0,0,0,0|1,1,0]=4 85 B9R1.15 IC1=C(C=O)C=CC=C1 BCP07495 [1,1,0,0,0,0|0,1,1]=4 86 B9R1.15 NC1=C(C=O)C=CC=C1 BCP07330 [1,1,0,0,0,0|0,1,1]=4 87 B9R1.15 NC1=NC=CC=C1CC BCP11445 [1,1,0,0,0,0|1,0,0]=3 88 B9R1.15 NC1=NC=CC=C1OC BCP12904 [1,1,0,0,0,0|2,0,0]=4 89 B9R1.15 OC1=CC=CN=C1CO BCP11425 [1,1,0,0,0,0|1,1,0]=4 90 B9R1.15 OCC1=C(Cl)C=NC=C1 BCP10230 [1,1,0,0,0,0|1,1,0]=4 91 B9R1.15 OCC1=NC=CC=C1O BCP14980 [1,1,0,0,0,0|1,1,0]=4 92 B9R1.15 OCc1ccncc1F BCP10228 [1,1,0,0,0,0|1,1,0]=4 93 B11R1.20 CC(NC1=CC=C(O)C=C1)=O BCP23431 [0,1,0,0,0,1|0,1,1]=4 94 B11R1.40 OC[C@@H](N)CC1=CC=CC=C1 BCP17030 [0,1,0,0,0,1|1,0,0]=3 95 B11R1.86 NC1=C(SC(C)C)C=CC=C1 BCP18377 [0,1,0,0,0,1|1,0,0]=3 96 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O BCP08093 [0,2,0,0,0,0|0,1,1]=4 97 B11R1.3 CC(C1=CC=C(SC)C=C1)=O BCP20233 [0,2,0,0,0,0|0,1,1]=4 98 B11R1.3 N#CC1=CC=C(C=C1)[C](C)N BCP09898 [0,2,0,0,0,0|1,0,1]=4 99 B11R1.3 N[C](C)C1=CC=C(OC)C=C1 BCP12189 [0,2,0,0,0,0|1,0,1]=4 100 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O BCP01685 [0,2,0,0,0,0|0,1,1]=4 101 B11R1.21 CC(C1=CC=C(F)C(N)=C1)=O BCP10115 [0,2,0,0,0,0|0,1,1]=4 102 B11R1.22 BrC1=CC=C(C(CN)=O)C=C1 BCP24959 [0,2,0,0,0,0|0,1,1]=4 103 B11R1.22 FC1=CC=C([C](CCl)O)C=C1 BCP12170 [0,2,0,0,0,0|0,1,1]=4 104 B11R1.166 Brc1ccc(c(c1)O)C(=O)C BCP18244 [0,2,0,0,0,0|0,1,1]=4 105 B11R1.166 FC1=C([C@@H](C)N)C=CC(F)=C1 BCP07396 [0,2,0,0,0,0|1,0,0]=3 106 B11R1.12 C(Cl)=C(CN)\C1=CC=CC=C1 BCP15920 [0,2,0,0,0,0|1,0,1]=4 107 B11R1.12 CCN(CC)C1=CC=CC=C1 BCP13080 [0,2,0,0,0,0|2,0,0]=4 108 B11R1.12 COC(OC)C1=CC=CC=C1 BCP19759 [0,2,0,0,0,0|0,1,0]=3 109 B11R1.16 C[C@@H](N=C=O)C1=CC=CC=C1 BCP08224 [0,2,0,0,0,0|0,1,0]=3 110 B11R1.16 C[C](N=C=O)C1=CC=CC=C1 BCP11253 [0,2,0,0,0,0|0,1,1]=4 111 B11R1.16 ClCC[C](c1ccccc1)O BCP12491 [0,2,0,0,0,0|0,1,1]=4 112 B11R1.16 O=C(CNC)C1=CC=CC=C1 BCP11464 [0,2,0,0,0,0|0,1,1]=4 113 B11R1.16 O[C](C1=CC=CC=C1)CCCl BCP15449 [0,2,0,0,0,0|0,1,1]=4 114 B11R1.23 ClC1=CC([C@@H](CN)O)=CC=C1 BCP14172 [0,2,0,0,0,0|0,1,0]=3 115 B11R1.23 ClC1=CC([C](CCl)O)=CC=C1 BCP12178 [0,2,0,0,0,0|0,1,1]=4 116 B11R1.23 ClC1=CC([C](CO)N)=CC=C1 BCP15021 [0,2,0,0,0,0|1,0,1]=4 117 B11R1.23 N[C@@H](CC)C1=CC=CC(Cl)=C1 BCP15556 [0,2,0,0,0,0|1,0,0]=3 118 B11R1.23 OC(CN)C1=CC=CC(O)=C1 BCP07813 [0,2,0,0,0,0|0,1,0]=3 119 B11R1.222 CCC(C1=CC=CC=C1Cl)=O BCP07782 [0,2,0,0,0,0|0,1,1]=4 120 B11R1.222 O=C(NC)C1=CC=CC=C1S BCP11862 [0,2,0,0,0,0|0,1,1]=4 121 B11R1.87 CP(C)(=O)C1=C(N)C=CC=C1 BCP15257 [0,2,0,0,0,0|1,1,0]=4 122 B11R1.155 CS(C1=CC=CC(Br)=C1)(=O)=O BCP19786 [0,2,0,0,0,0|1,1,0]=4 123 B11R1.53 O=CC1=CC=CC=C1C(C)C BCP04819 [0,2,0,0,0,0|1,0,0]=3 124 B11R1.156 ClC1=C([C@@H](O)C)C(Cl)=CN=C1 BCP14150 [0,2,0,0,0,0|1,1,0]=4 125 B11R1.159 ClC(C)C1=CC=CC(C)=C1C BCP13455 [0,2,0,0,0,0|1,0,0]=3 126 B11R1.159 OC1=C(N)C=CC=C1C(C)=O BCP10837 [0,2,0,0,0,0|0,1,1]=4 127 B11R1.167 CC(C1=C(C=CC(F)=C1)I)=O BCP07101 [0,2,0,0,0,0|0,1,1]=4 128 B11R1.266 N[C@@H](C1=CC=CC(C#N)=C1)C BCP09412 [0,2,0,0,0,0|1,0,0]=3 129 B11R1.266 N[C](C1=CC=CC(C#N)=C1)C BCP09411 [0,2,0,0,0,0|1,0,1]=4 130 B11R2.10 NC1CC2=CC=CC=C2C1 BCP06421 [0,0,0,1,0,1|1,0,0]=3 131 B11R2.238 [C@@H]1(CC2=CC=CC=C2)NC1 BCP18628 [0,0,0,1,0,1|1,0,0]=3 132 B11R2.34 FC1=CC=C([C@@H]2OC2)C=C1 BCP13087 [0,1,0,1,0,0|0,1,0]=3 133 B11R2.34 FC1=CC=C([C]2OC2)C=C1 BCP12175 [0,1,0,1,0,0|0,1,1]=4 134 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,1,0,1,0,0|1,0,1]=4 135 B11R2.1 CN1C2=C(N=N1)C=CC=C2 BCP20547 [0,1,0,1,0,0|2,0,0]=4 136 B11R2.1 NC1CCC2=C1C=CC=C2 BCP04726 [0,1,0,1,0,0|1,0,0]=3 137 B11R2.1 N[C@@H]1C2=C(CC1)C=CC=C2 BCP15509 [0,1,0,1,0,0|1,0,0]=3 138 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 BCP14221 [0,1,0,1,0,0|1,0,0]=3 139 B11R2.1 N[C]1CCC2=CC=CC=C21 BCP15726 [0,1,0,1,0,0|1,0,1]=4 140 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,1,0,1,0,0|0,1,1]=4 141 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,1,0,1,0,0|0,1,1]=4 142 B7R1.1 BrCC1=CC=CS1 BCP05380 [1,0,0,0,1,0|2,0,0]=4 143 B7R1.1 CCC1=CC=CN1 BCP04114 [1,0,0,0,1,0|1,0,0]=3