0 B10R1.15 O=C(NN)C1=CC=NC=C1 BCP13791 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.15 OC(CN)C1=CC=CN=C1 BCP11465 [0,0,0,0,0,0|2,0,2]=4 2 B9R1.6 NC(C1=CC=CN=C1)=O BCP07322 [1,0,0,0,0,0|1,0,0]=2 3 B9R1.6 N[C](C)C1=CC=CC=C1 BCP13697 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [1,0,0,0,0,0|0,0,0]=1 5 B9R1.8 BrCCC1=CC=CN=C1 BCP07727 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.12 CCB(C1=CC=CN=C1)CC BCP04285 [0,1,0,0,0,0|3,0,0]=4 7 B11R1.12 COC(OC)C1=CC=CC=C1 BCP19759 [0,1,0,0,0,0|1,0,2]=4 8 B11R1.16 O=C(CNC)C1=CC=CC=C1 BCP11464 [0,1,0,0,0,0|2,0,0]=3 9 B11R1.22 BrC1=CC=C(C(CN)=O)C=C1 BCP24959 [0,1,0,0,0,0|3,0,0]=4 10 B11R1.23 C1=C(Cl)C=CN=C1C(OC)=O BCP12653 [0,1,0,0,0,0|2,0,0]=3 11 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP04087 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.23 ClC1=CC(C(NC)=O)=NC=C1 BCP10788 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.23 N#CC(C1=CC(C)=CC=C1)=O BCP06462 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.23 O=C(C1=NC=CC(C)=C1)OC BCP16377 [0,1,0,0,0,0|2,0,0]=3 15 B11R1.23 O=C(OC)C1=CC(CCC1)=O BCP06893 [0,1,0,0,0,0|1,0,2]=4 16 B11R1.222 CCC(C1=CC=CC=C1Cl)=O BCP07782 [0,1,0,0,0,0|2,0,0]=3 17 B11R1.222 COC(=O)c1ccncc1N BCP11525 [0,1,0,0,0,0|2,0,0]=3 18 B11R1.222 ClC1=NC=CN=C1C(=O)OC BCP03040 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.222 N#CC(C=1C=CC=CC1F)=O BCP06461 [0,1,0,0,0,0|3,0,0]=4 20 B11R1.222 O=C(C1=NC=CN=C1Br)OC BCP03415 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.222 O=C(NC)C1=CC=CC=C1S BCP11862 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.222 O=C(OC)C1=C(Br)N=CC=C1 BCP12646 [0,1,0,0,0,0|0,0,0]=1 23 B11R1.222 O=C(OC)C1=CC=CN=C1N BCP11523 [0,1,0,0,0,0|0,0,0]=1 24 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,0,0,1,0,0|2,0,0]=3 25 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,0,0,1,0,0|3,0,0]=4 26 B11R2.1 O=C1OCC2=NC=CC=C21 BCP00602 [0,0,0,1,0,0|0,0,0]=1 27 B9R1.11 CNC(=O)c1cn[nH]c1 BCP28948 [0,0,0,0,1,0|2,0,0]=3 28 B9R1.11 O=C(C1=CNC=C1)OC BCP08156 [0,0,0,0,1,0|0,0,1]=2 29 B9R1.11 O=C(CBr)C1=NC=CS1 BCP07589 [0,0,0,0,1,0|3,0,0]=4 30 B8R1.2 C=CC1=CC=CN=C1 BCP12214 [2,0,0,0,0,0|0,0,1]=3 31 B8R1.2 NCC1=CC=CN=C1 BCP13872 [2,0,0,0,0,0|1,0,1]=4 32 B8R1.2 OCC1=CC=CN=C1 BCP20084 [2,0,0,0,0,0|0,0,1]=3 33 B8R1.2 OCC1=CN=CN=C1 BCP04747 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.13 BrC1=CN=C(C=N1)C(=O)O BCP04439 [1,1,0,0,0,0|1,0,0]=3 35 B10R1.13 Cc1ccc(cn1)B(O)O BCP03648 [1,1,0,0,0,0|1,0,1]=4 36 B10R1.13 ClC1=CC=C(N=C1)C(=O)O BCP05118 [1,1,0,0,0,0|2,0,0]=4 37 B10R1.13 FC1=CC=C(B(O)O)C=N1 BCP14367 [1,1,0,0,0,0|1,0,1]=4 38 B10R1.13 NC1=NC=C(C=C1)C(C)C BCP00188 [1,1,0,0,0,0|1,0,1]=4 39 B10R1.13 O=C(C)C1=CC=C(Cl)N=C1 BCP13928 [1,1,0,0,0,0|0,0,0]=2 40 B10R1.13 O=C(C1=NC=C(C)N=C1)O BCP04707 [1,1,0,0,0,0|1,0,0]=3 41 B10R1.13 O=C(O)C1=CN=C(O)N=C1 BCP11778 [1,1,0,0,0,0|1,0,0]=3 42 B10R1.13 OC(C1=CC=[N+]([O-])C=C1)=O BCP10688 [1,1,0,0,0,0|2,0,0]=4 43 B10R1.28 N1=CC(=CC=C1)[S](=O)(=O)Cl BCP11100 [1,1,0,0,0,0|1,0,1]=4 44 B10R1.28 O=S(C1=CC=CN=C1)(Cl)=O BCP12293 [1,1,0,0,0,0|1,0,1]=4 45 B10R1.61 CC(=O)c1cccnc1Cl BCP10419 [1,1,0,0,0,0|0,0,0]=2 46 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.61 ClC1=C(C(N)=O)C=NC=C1 BCP06914 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.61 IC1=NC=CN=C1C(=O)O BCP04704 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.61 O=C(C1=C(N)C=NC=C1)O BCP09357 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.61 O=C(C1=NC=CNC1=O)O BCP03022 [1,1,0,0,0,0|1,0,1]=4 51 B10R1.61 O=C(O)C1=C(C)N=CN=C1 BCP06023 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.61 O=C(O)C=1C=NC=CC1Br BCP05403 [1,1,0,0,0,0|0,0,0]=2 53 B10R1.61 O=C1C(C(C)=O)=CC=CN1 BCP28633 [1,1,0,0,0,0|0,0,1]=3 54 B10R1.61 O=[N+](C1=CC=CN=C1C)[O-] BCP12892 [1,1,0,0,0,0|1,0,1]=4 55 B10R1.61 O=[N+](C1=CC=CN=C1Cl)[O-] BCP11394 [1,1,0,0,0,0|1,0,1]=4 56 B10R1.61 OB(C1=CC=CN=C1Br)O BCP05466 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.61 OB(C1=CC=CN=C1C)O BCP09724 [1,1,0,0,0,0|1,0,1]=4 58 B10R1.61 OC(=O)c1ccncc1C BCP06101 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.61 OC1=C(C(N)=O)N=CC=N1 BCP03021 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.113 CC(C1=CC(C)=NC=C1)=O BCP19218 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.113 Fc1nccc(c1)C(=O)O BCP10414 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.113 O=C(C)C1=NC(C)=CC=C1 BCP06451 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.113 O=C(C)C1=NC=CC(Cl)=C1 BCP06614 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.113 O=C(C1=CC(N)=NC=C1)O BCP00191 [1,1,0,0,0,0|2,0,0]=4 66 B10R1.113 O=C1NN=CC(=C1)C(=O)O BCP03769 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.113 OB(C1=CC(F)=CN=C1)O BCP07271 [1,1,0,0,0,0|1,0,1]=4 68 B10R1.11 CCOC(C1=NC=CN1)=O BCP18434 [0,1,0,0,1,0|1,0,0]=3 69 B10R1.11 O=C(OCC)C1=CNC=N1 BCP13439 [0,1,0,0,1,0|1,0,0]=3 70 B10R1.14 COC(=O)C1=N[N](C=N1)C BCP05629 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.14 O=C(OC)C1=CSC(N)=N1 BCP18228 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.149 COC(=O)c1[nH]ccc1Cl BCP07269 [0,1,0,0,1,0|0,0,1]=3 73 B10R1.149 O=C(C1=C(N)N=CS1)OC BCP15212 [0,1,0,0,1,0|1,0,0]=3 74 B10R1.149 O=C(OC)C1=C(N)C=CS1 BCP12607 [0,1,0,0,1,0|1,0,0]=3 75 B12R1.49 BrC1=CC=C(CC(OC)=O)C=C1 BCP16335 [0,1,0,0,0,1|1,0,0]=3 76 B12R1.49 O=C(CC)NC1=CC=C(O)C=C1 BCP10463 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.49 O=C(OC)CC1=CC=C(Cl)C=C1 BCP11098 [0,1,0,0,0,1|1,0,0]=3 78 B12R1.50 NC1=CC(NC(CC)=O)=CC=C1 BCP19520 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.371 CC1=C(NC(OC)=O)C=NC=C1 BCP13436 [0,1,0,0,0,1|0,0,0]=2 80 B12R1.371 COC(=O)CC1=C(O)C=CC=C1 BCP17205 [0,1,0,0,0,1|1,0,0]=3 81 B12R1.16 C(C)OC(C1=CN=C(C=C1)Br)=O BCP11564 [0,2,0,0,0,0|0,0,0]=2 82 B12R1.16 CCOC(C1=CN=C(C=C1)Cl)=O BCP08780 [0,2,0,0,0,0|0,0,0]=2 83 B12R1.16 O=C(OCC)C1=CN=C(Cl)N=C1 BCP15035 [0,2,0,0,0,0|1,0,0]=3 84 B12R1.17 O=C(OCC)C1=CC=CC(N)=C1 BCP09224 [0,2,0,0,0,0|1,0,0]=3 85 B12R1.308 O=C(OCC)C1=CN=CC=C1Cl BCP11487 [0,2,0,0,0,0|0,0,0]=2 86 B12R1.5 CCC(C1=CC=C(OC)C=C1)=O BCP14923 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.5 COC(=O)C1=CN=C(C=O)C=N1 BCP15063 [0,2,0,0,0,0|1,0,0]=3 88 B12R1.5 NCc1ccc(cc1)C(=O)OC BCP15634 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.5 O=C(OC)C1=CC=C(C#C)C=C1 BCP07485 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.5 O=C(OC)C1=CC=C(CCl)C=C1 BCP11096 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.20 O=C(N(C)C)C1=CN=C(Cl)C=C1 BCP10110 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.367 COC(=O)c1cnc(c(c1)Br)Cl BCP09354 [0,2,0,0,0,0|0,0,0]=2 93 B12R1.367 O=C(OC)C1=CC(N)=C(N)C=C1 BCP15323 [0,2,0,0,0,0|1,0,0]=3 94 B12R1.367 O=C(OC)C1=CC(N)=C(O)C=C1 BCP21850 [0,2,0,0,0,0|1,0,0]=3 95 B12R1.367 O=C(OC)C1=CC=C(N)C(Br)=C1 BCP05740 [0,2,0,0,0,0|1,0,0]=3 96 B12R1.367 O=C(OC)C1=CC=C(O)C(Br)=C1 BCP10111 [0,2,0,0,0,0|1,0,0]=3 97 B12R1.1703 BrC1=C(C(OC)=O)C=CC(F)=C1 BCP19381 [0,2,0,0,0,0|1,0,0]=3 98 B12R1.1703 COC(=O)c1ccc(cc1F)Br BCP15135 [0,2,0,0,0,0|1,0,0]=3 99 B12R1.1703 O=C(C1=CNC(NC1=O)=O)OC BCP11592 [0,2,0,0,0,0|1,0,1]=4 100 B12R1.1703 O=C(C1=NN=C(Cl)C=C1Cl)OC BCP28936 [0,2,0,0,0,0|1,0,0]=3 101 B12R1.1703 O=C(NC)C1=C(F)C=C(N)C=C1 BCP12301 [0,2,0,0,0,0|2,0,0]=4 102 B12R1.1703 O=C(OC)C1=C(Cl)N=C(Cl)C=C1 BCP10121 [0,2,0,0,0,0|0,0,0]=2 103 B12R1.1703 O=C(OC)C1=CC=C(N)C=C1F BCP19224 [0,2,0,0,0,0|1,0,0]=3 104 B12R1.1703 O=C(OC)C1=CN=C(Cl)C=C1Cl BCP05778 [0,2,0,0,0,0|0,0,0]=2 105 B12R1.1703 O=C(OC)C1=NC=C(Br)C=C1Cl BCP14970 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.24 COC(=O)C1=C(C(=CC=C1)N)F BCP12561 [0,2,0,0,0,0|1,0,0]=3 107 B12R1.354 C1=C(C(=CC=C1Br)C)C(=O)OC BCP04196 [0,2,0,0,0,0|1,0,0]=3 108 B12R1.354 NC=1N=CC(=NC1C(OC)=O)Br BCP03878 [0,2,0,0,0,0|1,0,0]=3 109 B12R1.354 O=C(OC)C1=C(C)N=CC(Cl)=C1 BCP00991 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.358 O=C(OC)C1=NC(Cl)=CC(Br)=C1 BCP06222 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.435 C(#N)C1=NC=CC(=C1)C(=O)OC BCP09229 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.435 COC(=O)C1=CC=NC(CO)=C1 BCP15559 [0,2,0,0,0,0|2,0,0]=4 113 B12R1.435 COC(C1=CC(CBr)=CC=C1)=O BCP05944 [0,2,0,0,0,0|1,0,0]=3 114 B12R1.435 O=C(C1=CC(CN)=NC=C1)OC BCP16995 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.435 O=C(C1=CC(CN)=NC=C1)OC BCP19272 [0,2,0,0,0,0|2,0,0]=4 116 B12R1.435 O=C(C1=NC=CC(OC)=C1)OC BCP09360 [0,2,0,0,0,0|2,0,0]=4 117 B12R1.435 O=C(OC)C1=CC=CC(C=O)=C1 BCP16016 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.435 O=C(OC)C1=CC=NC(C=O)=C1 BCP15433 [0,2,0,0,0,0|2,0,0]=4 119 B12R1.3441 O=C(C1=C(Cl)C=CN=C1Cl)OC BCP11645 [0,2,0,0,0,0|0,0,0]=2 120 B10R2.7 C=12C=CC=NC1CNC2 BCP14712 [1,0,0,1,0,0|1,0,1]=4 121 B10R2.7 c1cnc2c(c1)CCC2 BCP01061 [1,0,0,1,0,0|1,0,1]=4 122 B12R2.1081 O=C1C=2C=NC=CC2CCC1 BCP12803 [0,1,0,1,0,0|1,0,0]=3 123 B12R2.1081 O=C1CCCC2=C1C=NC=C2 BCP08935 [0,1,0,1,0,0|1,0,0]=3 124 B12R2.1081 O=C1CCNC2=C1C=CC=C2 BCP10083 [0,1,0,1,0,0|2,0,0]=4 125 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BCP06538 [0,1,0,1,0,0|2,0,0]=4 126 B12R2.612 Cc1ccc2c(c1)CCC2=O BCP09170 [0,1,0,1,0,0|2,0,0]=4 127 B12R2.612 O=C1C2=CC=C(Br)C=C2CC1 BCP04452 [0,1,0,1,0,0|2,0,0]=4 128 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 BCP07412 [0,1,0,1,0,0|2,0,0]=4 129 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 BCP15704 [0,1,0,1,0,0|1,0,0]=3 130 B12R2.132 Brc1ccc2c(c1)C(=O)OC2 BCP20630 [0,1,0,1,0,0|1,0,0]=3 131 B12R2.132 O=C1C2=C(CC1)C=CC(F)=C2 BCP04453 [0,1,0,1,0,0|2,0,0]=4 132 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 BCP16277 [0,1,0,1,0,0|2,0,0]=4 133 B8R1.7 C1=C(C(=O)O)C=NO1 BCP10174 [1,0,0,0,1,0|1,0,0]=3 134 B8R1.7 CC(=O)C1=CNN=C1 BCP18458 [1,0,0,0,1,0|1,0,0]=3 135 B8R1.7 O=C(C1=CC=CS1)O BCP15028 [1,0,0,0,1,0|1,0,0]=3 136 B8R1.7 O=C(C1=CNC=C1)O BCP08157 [1,0,0,0,1,0|0,0,1]=3 137 B8R1.7 O=C(Cl)C1=CC=CO1 BCP14910 [1,0,0,0,1,0|2,0,0]=4 138 B8R1.7 OC(=O)c1c[nH]nc1 BCP06636 [1,0,0,0,1,0|1,0,0]=3 139 B8R1.7 OC(=O)c1cc[nH]n1 BCP11490 [1,0,0,0,1,0|1,0,0]=3 140 B8R1.7 OC(C1=CNC=N1)=O BCP05792 [1,0,0,0,1,0|1,0,0]=3