0 B11R1.3 CC(C1=CC=C(CBr)C=C1)=O BCP08093 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.3 CC(C1=CC=C(SC)C=C1)=O BCP20233 [0,0,0,0,0,0|1,1,0]=2 2 B11R1.3 CNC1=CC=C([N+]([O-])=O)C=C1 BCP04516 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.3 NC(=N)c1ccc(cc1)C#N BCP18655 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.3 NC(C1=CC=C(CN)C=C1)=N BCP04219 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 N[C](C)C1=CC=C(OC)C=C1 BCP12189 [0,0,0,0,0,0|2,0,1]=3 6 B11R1.3 O=C(O)C1=CN=C(NC)N=C1 BCP20853 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.3 O=C(O)C1=NC=C(C#N)C=C1 BCP08290 [0,0,0,0,0,0|3,0,0]=3 8 B11R1.3 O=[N+](C1=CC=C(C#C)C=C1)[O-] BCP14406 [0,0,0,0,0,0|2,0,2]=4 9 B11R1.3 O=[N+]([O-])C1=CC=C(C#N)C=C1 BCP13970 [0,0,0,0,0,0|3,0,1]=4 10 B11R1.3 O=[N+]([O-])C1=CC=C(CO)C=C1 BCP15778 [0,0,0,0,0,0|3,0,1]=4 11 B11R1.3 OB(C1=CC=C(OC)C=C1)O BCP03522 [0,0,0,0,0,0|1,0,1]=2 12 B11R1.3 OB(C1=CN=C(OC)N=C1)O BCP12104 [0,0,0,0,0,0|3,0,1]=4 13 B11R1.3 OB(O)C1=CC=C(C#N)C=C1 BCP12932 [0,0,0,0,0,0|3,0,1]=4 14 B11R1.3 OB(O)C1=CC=C(OC)N=C1 BCP07170 [0,0,0,0,0,0|2,0,1]=3 15 B11R1.3 OC(C1=CC=C(C#C)C=C1)=O BCP20454 [0,0,0,0,0,0|1,0,1]=2 16 B10R1.3 NCC1=CC=C(OC)C=C1 BCP11229 [1,0,0,0,0,0|1,0,1]=3 17 B10R1.3 OCC1=CC=C(C=O)C=C1 BCP07175 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.3 OCc1ccc(cc1)C#C BCP06953 [1,0,0,0,0,0|1,0,2]=4 19 B10R1.13 BrC1=CN=C(C=N1)C(=O)O BCP04439 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.13 C[C@@H](O)C1=CC=C(F)C=C1 BCP07421 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.13 Cc1ccc(cn1)B(O)O BCP03648 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.13 Cc1ccc(nc1)[N+](=O)[O-] BCP10982 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.13 NC(C1=CC=C(N)C=C1)=N BCP12270 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.13 O=C(C1=NC=C(C)N=C1)O BCP04707 [1,0,0,0,0,0|2,0,0]=3 27 B10R1.13 O=C(O)C1=CN=C(O)N=C1 BCP11778 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.13 O=[N+](C1=CC=C(I)C=C1)[O-] BCP14439 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.13 O=[N+]([O-])C1=CC=C(N)C=C1 BCP10655 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.13 OB(O)C1=CC=C(S)C=C1 BCP06691 [1,0,0,0,0,0|1,1,1]=4 31 B10R1.13 OC(C1=CC=[N+]([O-])C=C1)=O BCP10688 [1,0,0,0,0,0|1,0,1]=3 32 B10R1.13 OC1=CC=C(B(O)O)C=C1 BCP03521 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.13 OC1=CC=C(C(=S)N)C=C1 BCP12826 [1,0,0,0,0,0|1,1,0]=3 34 B12R1.5 CCC(C1=CC=C(OC)C=C1)=O BCP14923 [0,1,0,0,0,0|1,0,0]=2 35 B12R1.5 COC1=CC=C([C@@H](O)CCl)C=C1 BCP12169 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.5 N#CC1=CC=C(C(CBr)=O)C=C1 BCP10300 [0,1,0,0,0,0|3,0,0]=4 37 B12R1.5 NCc1ccc(cc1)C(=O)OC BCP15634 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 BCP07485 [0,1,0,0,0,0|1,0,1]=3 39 B12R1.5 O=C(OC)C1=CC=C(CCl)C=C1 BCP11096 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.48 CCC1=CC=C([N+]([O-])=O)C=C1N BCP18607 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.48 O=[N+]([O-])C1=CC=C(NC)C(N)=C1 BCP08814 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.48 OC(C1=CC=C(C#N)C(F)=C1)=O BCP17417 [0,1,0,0,0,0|2,0,0]=3 43 B12R1.113 CC(C1=CC=C(CCBr)C=C1)=O BCP17023 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.113 NCCC1=CC=C([N+]([O-])=O)C=C1 BCP10667 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.113 NCCC1=CC=C([N+]([O-])=O)C=C1 BCP14535 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.113 O=[N+](C1=CC=C(CCBr)C=C1)[O-] BCP16990 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.113 O=[N+]([O-])C1=CC=C(CCO)C=C1 BCP04523 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.256 C[C@@H](N)C1=CC=C([N+]([O-])=O)C=C1 BCP09415 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.256 C[C](C1=CC=C([N+]([O-])=O)C=C1)N BCP04720 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.256 C[C](N)C1=CC=C([N+]([O-])=O)C=C1 BCP22700 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.256 O=C(O)C1=CC=C(C=C1)B(O)O BCP03528 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.256 OC(=O)c1ccc(nc1)[N+](=O)[O-] BCP10975 [0,1,0,0,0,0|3,0,0]=4 53 B12R1.256 OC(C1=CC=C(C(O)=O)C=C1)=O BCP06429 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.452 CC1=C(B(O)O)C=CC(OC)=C1 BCP07758 [0,1,0,0,0,0|1,0,1]=3 55 B12R1.452 FC1=CC(OC)=CC=C1C(O)=O BCP20605 [0,1,0,0,0,0|0,0,0]=1 56 B12R1.452 [O-]C(C1=CC=C(OC)C=C1O)=O BCP08104 [0,1,0,0,0,0|0,0,1]=2 57 B12R1.4 O=C(O)CC1=CC=C(C#N)C=C1 BCP15472 [0,0,0,0,0,1|2,0,0]=3 58 B9R1.1 CC1=CC=C(C=N1)C=O BCP04829 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.1 COC1=CN=C(Br)C=C1 BCP04838 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.1 O=CC1=CC=C(I)C=C1 BCP05912 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.1 O=CC1=CN=C(C)N=C1 BCP03539 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.1 O=CC1=CN=C(C=C1)Br BCP04709 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.1 O=CC1=NC=C(Br)C=C1 BCP14421 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.1 O=CC1=NC=C(F)C=C1 BCP10413 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.1 OCC1=CC=C(C)N=C1 BCP15437 [2,0,0,0,0,0|1,0,1]=4 66 B9R1.1 OCC1=CC=C(S)C=C1 BCP18396 [2,0,0,0,0,0|0,1,1]=4 67 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [2,0,0,0,0,0|1,0,0]=3 69 B11R1.83 NNCC1=CC=C(OC)C=C1 BCP02652 [1,1,0,0,0,0|1,0,1]=4 70 B11R1.83 NNCC1=CC=C(OC)C=C1 BCP10292 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.83 NOCC1=CC=C(OC)C=C1 BCP19988 [1,1,0,0,0,0|0,0,1]=3 72 B11R1.279 C(#N)C1=CC(=C(C=O)C=C1)F BCP22671 [1,1,0,0,0,0|2,0,0]=4 73 B11R1.279 COC1=C(Cl)C=C(CN)C=C1 BCP11293 [1,1,0,0,0,0|1,0,1]=4 74 B11R1.279 O=CC1=CC(Br)=C(OC)C=C1 BCP15611 [1,1,0,0,0,0|0,0,0]=2 75 B11R1.19 CC1=CC=C(C=C1)S(O)(=O)=O BCP08001 [1,1,0,0,0,0|1,0,0]=3 76 B11R1.19 CC1=CC=C(S(=O)(O)=O)C=C1 BCP19430 [1,1,0,0,0,0|1,0,0]=3 77 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O BCP10390 [1,1,0,0,0,0|1,0,0]=3 78 B11R1.19 O=S(C1=CC=C(C)C=C1)(O)=O BCP14881 [1,1,0,0,0,0|1,0,0]=3 79 B11R1.21 CC(C1=CC=C(Br)C(Cl)=C1)=O BCP01685 [1,1,0,0,0,0|2,0,0]=4 80 B11R1.21 CC(C1=CC=C(F)C(N)=C1)=O BCP10115 [1,1,0,0,0,0|2,0,0]=4 81 B11R1.21 NC(C1=CC(N)=C(C)C=C1)=O BCP14925 [1,1,0,0,0,0|1,0,0]=3 82 B11R1.21 O=C(Cl)C1=CC(I)=C(C)C=C1 BCP07666 [1,1,0,0,0,0|1,0,0]=3 83 B11R1.21 O=C(O)C1=CC=C(C)C(I)=C1 BCP15174 [1,1,0,0,0,0|0,0,0]=2 84 B11R1.21 O=[N+]([O-])C1=CC(O)=C(O)C=C1 BCP19576 [1,1,0,0,0,0|1,0,1]=4 85 B11R1.21 OC(C1=CC(N)=C(Br)C=C1)=O BCP05730 [1,1,0,0,0,0|1,0,0]=3 86 B11R1.21 OC(C1=CC=C(I)C(O)=C1)=O BCP09356 [1,1,0,0,0,0|1,0,0]=3 87 B11R1.21 OC(C1=C[N+]([O-])=C(C)C=N1)=O BCP28412 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.22 BrC1=CC=C(C(CN)=O)C=C1 BCP24959 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.166 BrC1=C(C(O)=O)C=CC(Cl)=C1 BCP15958 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.166 Brc1ccc(c(c1)O)C(=O)C BCP18244 [1,1,0,0,0,0|2,0,0]=4 91 B11R1.166 Cc1ccc(c(c1)F)B(O)O BCP18410 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.166 ClC1=C(B(O)O)C=CC(C)=C1 BCP13673 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.166 ClC1=C(C(O)=O)C=CC(Cl)=N1 BCP08665 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.166 ClC1=C(C(O)=O)C=CC(N)=C1 BCP01197 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.166 FC1=C(C(N)=O)C=CC(Br)=C1 BCP14494 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.166 FC1=C(C(O)=O)C=CC(C)=C1 BCP09722 [1,1,0,0,0,0|0,0,0]=2 97 B11R1.166 NC1=C(C(O)=O)C=CC(F)=C1 BCP09507 [1,1,0,0,0,0|1,0,0]=3 98 B11R1.166 NC1=CC(Br)=CC=C1C(O)=O BCP14460 [1,1,0,0,0,0|1,0,0]=3 99 B11R1.166 O=C(C1=CC=C(C)N=C1Cl)O BCP09379 [1,1,0,0,0,0|1,0,0]=3 100 B11R1.166 O=C(C1=CN=C(N)C=C1C)O BCP10477 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.166 O=C(O)C1=C(C)N=C(Cl)C=C1 BCP14859 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F BCP13399 [1,1,0,0,0,0|1,0,0]=3 103 B11R1.166 OC1=C(C(O)=O)C=CC(N)=C1 BCP18565 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.166 OC1=C(C(O)=O)C=NC(C)=C1 BCP17538 [1,1,0,0,0,0|1,0,0]=3 105 B13R1.36 CC(C1=CC=C(CBr)C=C1)C(O)=O BCP12222 [0,1,0,0,0,1|2,0,0]=4 106 B13R1.36 O=C(O)C(N)C1=CC=C(OC)C=C1 BCP23688 [0,1,0,0,0,1|0,0,0]=2 107 B13R1.142 CC(NC1=CC=C(OCC)C=C1)=O BCP09084 [0,1,0,0,0,1|1,0,0]=3 108 B13R1.95 O=C(OC)C1=CC=C(C#N)C=C1C BCP19696 [0,2,0,0,0,0|2,0,0]=4 109 B13R1.139 O=C(C1=CC=C(NCC)N=C1)OC BCP14059 [0,2,0,0,0,0|2,0,0]=4 110 B13R1.537 C1=CC(=CC=C1C(O)=O)C(OC)=O BCP08782 [0,2,0,0,0,0|0,0,0]=2 111 B13R1.537 COC(=O)c1ccc(cc1)B(O)O BCP03529 [0,2,0,0,0,0|1,0,1]=4 112 B13R1.120 CC(C)C1=C(C=C(C=C1)C(=O)O)Br BCP29543 [0,2,0,0,0,0|1,0,0]=3 113 B13R1.652 NC1=CC([N+]([O-])=O)=C(F)C=C1OC BCP09961 [0,2,0,0,0,0|1,0,1]=4 114 B13R1.3380 COC1=C(Cl)C=C(C=C1Cl)[N+]([O-])=O BCP06324 [0,2,0,0,0,0|1,0,1]=4 115 B13R1.428 O=C(O)C1=C(F)C=C(C#N)C=C1F BCP06747 [0,2,0,0,0,0|2,0,0]=4 116 B11R2.190 C=CC1=CC=C2CCC2=C1 BCP20396 [1,0,0,1,0,0|2,0,0]=4 117 B13R2.2121 BrC=1SC2=CC(=CC=C2N1)OC BCP19004 [0,0,0,1,0,1|1,1,0]=4 118 B13R2.2121 COC1=CC=2NC(NC2C=C1)=S BCP04509 [0,0,0,1,0,1|1,1,0]=4 119 B13R2.2130 N#CC1=CC2=C(C(OC2)=O)C=C1 BCP13095 [0,1,0,1,0,0|2,0,0]=4 120 B13R2.430 O=C(C)C1=CC=C2OCCC2=C1 BCP14201 [0,1,0,1,0,0|1,0,0]=3 121 B13R2.430 O=[N+]([O-])C1=CC=C2C(CCO2)=C1 BCP19518 [0,1,0,1,0,0|1,0,1]=4 122 B13R2.430 OC(=O)c1ccc2ccoc2c1 BCP16992 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.35 Cc1ncc(s1)C(=O)O BCP05391 [1,0,0,0,1,0|2,0,0]=4 124 B9R1.35 O=C(C1=CC=C(C)S1)O BCP05923 [1,0,0,0,1,0|1,0,0]=3 125 B9R1.35 O=C(C1=CC=C(F)S1)O BCP06836 [1,0,0,0,1,0|2,0,0]=4 126 B9R1.35 O=C(O)C1=CC(O)=NO1 BCP08277 [1,0,0,0,1,0|2,0,0]=4 127 B9R1.35 O=C(O)C1=CC=C(Cl)S1 BCP05839 [1,0,0,0,1,0|2,0,0]=4 128 B11R1.20 CC(NC1=CC=C(O)C=C1)=O BCP23431 [1,0,0,0,0,1|1,0,0]=3 129 B11R1.20 O=C(O)CC1=NC=C(C)C=C1 BCP18597 [1,0,0,0,0,1|1,0,0]=3 130 B11R1.266 C(#N)C1=NC=CC(=C1)C(=O)O BCP18492 [0,0,0,0,1,1|2,0,0]=4 131 B11R1.266 COc1cccc(c1)B(O)O BCP03523 [0,0,0,0,1,1|1,0,1]=4 132 B11R1.266 O=Cc1cccc(c1)C(=O)O BCP18649 [0,0,0,0,1,1|2,0,0]=4 133 B13R1.3 O=C(O)CNC1=CC=C(C#N)C=C1 BCP04527 [0,0,0,0,0,2|2,0,0]=4