0 B10R1.3 C(#C)C1=CC=C(C#N)C=C1 BCP18853 [0,0,0,0,0,0|1,0,3]=4 1 B10R1.3 NCC1=CC=C(OC)C=C1 BCP11229 [0,0,0,0,0,0|2,0,1]=3 2 B10R1.3 OCC1=CC=C(C=O)C=C1 BCP07175 [0,0,0,0,0,0|1,0,0]=1 3 B10R1.3 OCc1ccc(cc1)C#C BCP06953 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.1 CC1=CC=C(C=N1)C=O BCP04829 [1,0,0,0,0,0|1,0,0]=2 5 B9R1.1 COC1=CN=C(Br)C=C1 BCP04838 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.1 ClC1=CC=C(CN)C=N1 BCP19252 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.1 FC1=CC=C([Mg]Br)C=C1 BCP08644 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.1 NC1=CC=C(C#N)C=C1 BCP04531 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.1 O=CC1=CC=C(I)C=C1 BCP05912 [1,0,0,0,0,0|1,0,0]=2 10 B9R1.1 O=CC1=CN=C(C)N=C1 BCP03539 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.1 O=CC1=CN=C(C=C1)Br BCP04709 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.1 O=CC1=CN=C(Cl)N=C1 BCP25163 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.1 O=CC1=NC=C(Br)C=C1 BCP14421 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.1 O=CC1=NC=C(F)C=C1 BCP10413 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.1 OCC1=CC=C(C)N=C1 BCP15437 [1,0,0,0,0,0|1,0,2]=4 16 B9R1.1 OCC1=CC=C(S)C=C1 BCP18396 [1,0,0,0,0,0|1,1,0]=3 17 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O BCP08093 [0,1,0,0,0,0|1,0,0]=2 18 B11R1.3 CC(C1=CC=C(SC)C=C1)=O BCP20233 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.3 CNC1=CC=C([N+]([O-])=O)C=C1 BCP04516 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.3 N#CC1=CC=C(C=C1)[C](C)N BCP09898 [0,1,0,0,0,0|1,0,2]=4 21 B11R1.3 NC(=N)c1ccc(cc1)C#N BCP18655 [0,1,0,0,0,0|2,0,1]=4 22 B11R1.3 NC(C1=CC=C(CN)C=C1)=N BCP04219 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.3 N[C](C)C1=CC=C(OC)C=C1 BCP12189 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.3 O=C(O)C1=CN=C(NC)N=C1 BCP20853 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.3 O=C(O)C1=NC=C(C#N)C=C1 BCP08290 [0,1,0,0,0,0|2,0,1]=4 26 B11R1.3 O=[N+](C1=CC=C(C#C)C=C1)[O-] BCP14406 [0,1,0,0,0,0|1,0,2]=4 27 B11R1.3 O=[N+]([O-])C1=CC=C(C#N)C=C1 BCP13970 [0,1,0,0,0,0|2,0,1]=4 28 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 BCP15778 [0,1,0,0,0,0|2,0,0]=3 29 B11R1.3 OB(C1=CC=C(OC)C=C1)O BCP03522 [0,1,0,0,0,0|2,0,1]=4 30 B11R1.3 OC(C1=CC=C(C#C)C=C1)=O BCP20454 [0,1,0,0,0,0|0,0,2]=3 31 B11R1.83 NNCC1=CC=C(OC)C=C1 BCP02652 [0,1,0,0,0,0|2,0,1]=4 32 B11R1.83 NNCC1=CC=C(OC)C=C1 BCP10292 [0,1,0,0,0,0|2,0,1]=4 33 B11R1.83 NOCC1=CC=C(OC)C=C1 BCP19988 [0,1,0,0,0,0|1,0,2]=4 34 B11R1.83 OCCc1ccc(cn1)CC BCP12396 [0,1,0,0,0,0|1,0,2]=4 35 B11R1.279 C(#N)C1=CC(=C(C=O)C=C1)F BCP22671 [0,1,0,0,0,0|1,0,1]=3 36 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 BCP11293 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.279 CSc1ncc(c(n1)N)C=O BCP03540 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.279 O=CC1=CC(Br)=C(OC)C=C1 BCP15611 [0,1,0,0,0,0|1,0,0]=2 39 B11R2.190 C=CC1=CC=C2CCC2=C1 BCP20396 [0,0,0,1,0,0|1,0,0]=2 40 B9R1.21 O=CC1=CC=C(C=O)O1 BCP14987 [0,0,0,0,1,0|2,0,1]=4 41 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.2 NCC1=CC=CN=C1 BCP13872 [2,0,0,0,0,0|2,0,0]=4 43 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|2,0,0]=4 44 B8R1.2 [Na]SC1=CC=CC=C1 BCP14418 [2,0,0,0,0,0|2,0,0]=4 45 B8R1.3 BrC1=CN=C(C)C=C1 BCP13752 [2,0,0,0,0,0|2,0,0]=4 46 B8R1.3 CC1=CC=C(Cl)N=C1 BCP19250 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.3 FC1=CC=C(C)N=C1 BCP05119 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.3 NC1=CC=C(C)N=C1 BCP05413 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.3 NC=1C=CC(=CN1)C BCP16835 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.3 O=C1C=CC(C)=CN1 BCP20199 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.3 O=C1C=CC(N)=CN1 BCP05414 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.3 O=C1C=NC(C)=CN1 BCP16191 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.3 OC1=CC=C(Br)C=C1 BCP17755 [2,0,0,0,0,0|1,0,1]=4 54 B8R1.3 OC1=CC=C(I)C=C1 BCP14445 [2,0,0,0,0,0|1,0,1]=4 55 B8R1.3 SC1=CC=C(N)C=C1 BCP18598 [2,0,0,0,0,0|1,1,0]=4 56 B10R1.1 ClC1=CC=C(CCBr)C=C1 BCP09513 [1,1,0,0,0,0|1,0,0]=3 57 B10R1.1 FC1=CC=C(CCBr)C=C1 BCP15339 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 BCP07421 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.13 C[C](N)C1=CC=C(F)C=C1 BCP12200 [1,1,0,0,0,0|1,0,1]=4 60 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] BCP10982 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.13 NC(C1=CC=C(N)C=C1)=N BCP12270 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.13 NC1=NC=C(C=C1)C(C)C BCP00188 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.13 N[C@@H](C)C1=CC=C(Br)C=C1 BCP07969 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.13 N[C](C)C1=CC=C(Br)C=C1 BCP09414 [1,1,0,0,0,0|1,0,1]=4 66 B10R1.13 N[C](C)C1=CC=C(Cl)C=C1 BCP09416 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.13 N[C](C)C=1C=CC(=CC1)F BCP12199 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.13 O=C(C1=NC=C(C)N=C1)O BCP04707 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.13 O=[N+](C1=CC=C(I)C=C1)[O-] BCP14439 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.13 O=[N+]([O-])C1=CC=C(N)C=C1 BCP10655 [1,1,0,0,0,0|2,0,0]=4 72 B10R1.13 OC(C1=CC=[N+]([O-])C=C1)=O BCP10688 [1,1,0,0,0,0|2,0,0]=4 73 B10R1.13 OC1=CC=C(C(=S)N)C=C1 BCP12826 [1,1,0,0,0,0|1,1,0]=4 74 B10R1.25 CC1=CC(O)=CC=C1C=O BCP10259 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.25 NC1=CC(F)=CC=C1OC BCP05920 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.25 NC1=CC=C(OC)C(F)=C1 BCP05898 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.25 NCC1=CC=C(F)C=C1F BCP12876 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.25 O=CC1=CC=C(Br)C=C1O BCP00254 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.25 O=CC1=CC=C(O)C=C1Cl BCP16836 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.25 OC1=CC(Br)=CC=C1OC BCP13373 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.25 OCC1=CC=C(Br)C=C1Br BCP17133 [1,1,0,0,0,0|2,0,0]=4 82 B10R1.176 CC1=C(C)C=C(CN)C=C1 BCP18640 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.176 COC1=CC(N)=C(C)C=C1 BCP05922 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.176 COC1=CC=C(Cl)C(O)=C1 BCP11272 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.176 ClC1=C(Br)C=CC(C=O)=C1 BCP14717 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.176 O=CC1=CC(O)=C(O)C=C1 BCP00880 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.176 O=Cc1cnc(c(c1)C)Cl BCP08525 [1,1,0,0,0,0|2,0,0]=4 88 B12R1.5 CCC(C1=CC=C(OC)C=C1)=O BCP14923 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.5 COC1=CC=C([C@@H](O)CCl)C=C1 BCP12169 [0,2,0,0,0,0|2,0,0]=4 90 B12R1.5 N#CC1=CC=C(C(CBr)=O)C=C1 BCP10300 [0,2,0,0,0,0|1,0,1]=4 91 B12R1.5 NCc1ccc(cc1)C(=O)OC BCP15634 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 BCP07485 [0,2,0,0,0,0|0,0,2]=4 93 B12R1.5 O=C(OC)C1=CC=C(CCl)C=C1 BCP11096 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.6 NS(C1=CC=C(CN)C=C1)(=O)=O BCP28537 [0,2,0,0,0,0|2,0,0]=4 95 B12R1.6 O=S(C1=CC=C(CN)C=C1)(N)=O BCP03071 [0,2,0,0,0,0|2,0,0]=4 96 B12R1.48 CCC1=CC=C([N+]([O-])=O)C=C1N BCP18607 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.48 O=CC1=CC=C([N+]([O-])=O)C=C1O BCP15114 [0,2,0,0,0,0|2,0,0]=4 98 B12R1.48 O=[N+]([O-])C1=CC=C(NC)C(N)=C1 BCP08814 [0,2,0,0,0,0|2,0,0]=4 99 B12R1.48 OC(C1=CC=C(C#N)C(F)=C1)=O BCP17417 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.113 CC(C1=CC=C(CCBr)C=C1)=O BCP17023 [0,2,0,0,0,0|0,0,0]=2 101 B12R1.113 NCCC1=CC=C([N+]([O-])=O)C=C1 BCP10667 [0,2,0,0,0,0|1,0,0]=3 102 B12R1.113 NCCC1=CC=C([N+]([O-])=O)C=C1 BCP14535 [0,2,0,0,0,0|1,0,0]=3 103 B12R1.113 O=[N+](C1=CC=C(CCBr)C=C1)[O-] BCP16990 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 BCP04523 [0,2,0,0,0,0|1,0,0]=3 105 B12R1.256 C[C@@H](N)C1=CC=C([N+]([O-])=O)C=C1 BCP09415 [0,2,0,0,0,0|1,0,0]=3 106 B12R1.256 C[C](C1=CC=C([N+]([O-])=O)C=C1)N BCP04720 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.256 C[C](N)C1=CC=C([N+]([O-])=O)C=C1 BCP22700 [0,2,0,0,0,0|1,0,1]=4 108 B12R1.256 N[C@@H](C)C1=CC=C(C=C1)N(C)C BCP14799 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.256 O=C(O)C1=CC=C(C=C1)B(O)O BCP03528 [0,2,0,0,0,0|2,0,0]=4 110 B12R1.256 OC(C1=CC=C(C(O)=O)C=C1)=O BCP06429 [0,2,0,0,0,0|1,0,1]=4 111 B12R1.452 CC1=CC(C=O)=CC=C1[N+]([O-])=O BCP20271 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.452 FC1=CC(OC)=CC=C1C(O)=O BCP20605 [0,2,0,0,0,0|1,0,0]=3 113 B12R1.452 [O-]C(C1=CC=C(OC)C=C1O)=O BCP08104 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.4 O=C(O)CC1=CC=C(C#N)C=C1 BCP15472 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.301 Fc1cc(cc(F)c1C=O)C#N BCP10049 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.450 COc1cc(Br)c(cc1O)C=O BCP17233 [0,2,0,0,0,0|1,0,0]=3 117 B12R1.653 O=CC1=CC=C(OC)C(O)=C1Cl BCP14182 [0,2,0,0,0,0|1,0,0]=3 118 B12R2.44 O=CC1=CC=C2C(NN=C2)=C1 BCP15936 [0,1,0,1,0,0|1,0,1]=4 119 B12R2.44 O=CC1=CC=C2C=CNC2=C1 BCP00071 [0,1,0,1,0,0|0,0,2]=4 120 B12R2.44 O=CC=1C=CC2=C(C1)CCO2 BCP18922 [0,1,0,1,0,0|0,0,0]=2 121 B12R2.44 OCC1=CC=C2OCCC2=C1 BCP14015 [0,1,0,1,0,0|0,0,2]=4 122 B8R1.1 Cc1cnc(s1)C=O BCP10107 [1,0,0,0,1,0|2,0,0]=4 123 B8R1.1 O=CC1=CC(Br)=CN1 BCP05404 [1,0,0,0,1,0|2,0,0]=4 124 B10R1.172 COC1=NC=CC(=N1)C=O BCP10050 [0,0,0,0,1,1|2,0,0]=4 125 B10R1.172 O=CC1=CC=CC(CC)=C1 BCP06175 [0,0,0,0,1,1|0,0,0]=2