0 B11R2.1 BrC1=C2C=CC=CN2N=C1 BCP07335 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 BrC1=CN=C2N1C=CC=C2 BCP22690 [0,0,0,0,0,0|4,0,0]=4 2 B11R2.1 BrC1=N[NH]C2=CC=CC=C12 BCP17108 [0,0,0,0,0,0|2,0,0]=2 3 B11R2.1 C1=C(C2=CC=CC=C2[NH]1)C BCP00912 [0,0,0,0,0,0|3,0,0]=3 4 B11R2.1 CN1C2=C(N=N1)C=CC=C2 BCP20547 [0,0,0,0,0,0|3,0,0]=3 5 B11R2.1 IC1=CNC2=CN=CC=C12 BCP08933 [0,0,0,0,0,0|4,0,0]=4 6 B11R2.1 NC1CCC2=C1C=CC=C2 BCP04726 [0,0,0,0,0,0|3,0,1]=4 7 B11R2.1 N[C@@H]1C2=C(CC1)C=CC=C2 BCP15509 [0,0,0,0,0,0|3,0,1]=4 8 B11R2.1 N[C@@H]1CCC2=C1C=CC=C2 BCP14221 [0,0,0,0,0,0|3,0,1]=4 9 B11R2.1 N[C]1CCC2=CC=CC=C21 BCP15726 [0,0,0,0,0,0|3,0,1]=4 10 B11R2.1 O=C1C2=C(CC1)C=CC=C2 BCP19847 [0,0,0,0,0,0|2,0,1]=3 11 B11R2.1 O=C1COc2c1cccc2 BCP07835 [0,0,0,0,0,0|1,0,1]=2 12 B11R2.1 O=C1N2C=CC=CC2=NN1 BCP03573 [0,0,0,0,0,0|2,0,2]=4 13 B11R2.1 O=C1OCC2=NC=CC=C21 BCP00602 [0,0,0,0,0,0|3,0,1]=4 14 B10R2.7 C12=C(CNC1)C=CC=C2 BCP01139 [1,0,0,0,0,0|1,0,2]=4 15 B10R2.7 C12=C(CNC1)C=CC=C2 BCP15681 [1,0,0,0,0,0|1,0,2]=4 16 B10R2.7 C12=C(NC=C1)C=CC=C2 BCP29310 [1,0,0,0,0,0|2,0,0]=3 17 B10R2.7 C12=CN=CN1C=CC=C2 BCP11480 [1,0,0,0,0,0|2,0,0]=3 18 B10R2.7 C=12C=CC=CC1OBO2 BCP15959 [1,0,0,0,0,0|2,0,0]=3 19 B10R2.7 C=12C=CC=CC1OCO2 BCP11873 [1,0,0,0,0,0|2,0,0]=3 20 B12R2.1 O=CC1=CNC2=C1C=CC=C2 BCP00081 [0,1,0,0,0,0|2,0,1]=4 21 B12R2.1 O=CC1=COC2=CC=CC=C21 BCP07719 [0,1,0,0,0,0|1,0,1]=3 22 B12R2.1 OCC1=CNC2=C1C=CC=C2 BCP00087 [0,1,0,0,0,0|2,0,0]=3 23 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BCP15996 [0,1,0,0,0,0|2,0,1]=4 24 B12R2.132 BrC=1C=NC2=C(C1)C(=NN2)C BCP20589 [0,1,0,0,0,0|3,0,0]=4 25 B12R2.132 Brc1ccc2c(c1)C(=O)OC2 BCP20630 [0,1,0,0,0,0|2,0,1]=4 26 B12R2.132 CC1=CC2=C(I)NN=C2C=C1 BCP11815 [0,1,0,0,0,0|2,0,1]=4 27 B12R2.132 CN1N=CC2=C1C=C(Br)C=C2 BCP00036 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.132 O=C1C2=C(CC1)C=CC(F)=C2 BCP04453 [0,1,0,0,0,0|2,0,1]=4 29 B12R2.132 O=C1CCC2=C1C=C(Br)C=C2 BCP16277 [0,1,0,0,0,0|2,0,1]=4 30 B12R2.196 NC1=NOC2=C(Br)C=CC=C12 BCP17590 [0,1,0,0,0,0|1,0,0]=2 31 B12R2.203 CN1N=CC2=C1C(Br)=CC=C2 BCP00005 [0,1,0,0,0,0|3,0,0]=4 32 B12R2.612 BrC1=CC=C2C(ON=C2N)=C1 BCP07722 [0,1,0,0,0,0|1,0,0]=2 33 B12R2.612 Cc1ccc2c(c1)CCC2=O BCP09170 [0,1,0,0,0,0|2,0,1]=4 34 B12R2.612 ClC1=CC2=C(C=C1)C(Br)=NN2 BCP15417 [0,1,0,0,0,0|2,0,0]=3 35 B12R2.612 IC1=NNC2=C1C=CC(I)=C2 BCP08184 [0,1,0,0,0,0|2,0,0]=3 36 B12R2.612 O=C1C2=CC=C(Br)C=C2CC1 BCP04452 [0,1,0,0,0,0|2,0,1]=4 37 B12R2.612 O=C1COC2=CC(Cl)=CC=C12 BCP11607 [0,1,0,0,0,0|1,0,1]=3 38 B12R2.612 O=C1NCC2=C1C=CC(F)=C2 BCP07412 [0,1,0,0,0,0|1,0,2]=4 39 B12R2.612 O=C1OCC2=C1C=CC(Br)=C2 BCP15704 [0,1,0,0,0,0|2,0,1]=4 40 B12R2.612 OB1OCC2=CC(Cl)=CC=C21 BCP16819 [0,1,0,0,0,0|3,0,0]=4 41 B12R2.612 OB1OCC2=CC(F)=CC=C21 BCP08730 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.20 CCC1=C(C=O)C=CC=C1 BCP06174 [0,0,1,0,0,0|2,0,1]=4 43 B10R1.20 COC1=C(CN)C=CC=C1 BCP11246 [0,0,1,0,0,0|2,0,1]=4 44 B10R1.61 CC(C1=C(O)C=NC=C1)=O BCP28934 [0,0,1,0,0,0|2,0,1]=4 45 B10R1.61 FC1=C([C@@H](O)C)C=CC=C1 BCP12488 [0,0,1,0,0,0|2,0,1]=4 46 B10R1.61 NC1=CC=CC=C1B(O)O BCP14682 [0,0,1,0,0,0|3,0,0]=4 47 B10R1.61 O=C(C1=C(N)C=NC=C1)O BCP09357 [0,0,1,0,0,0|3,0,0]=4 48 B10R1.61 O=C(O)C=1C=NC=CC1Br BCP05403 [0,0,1,0,0,0|3,0,0]=4 49 B10R1.61 OB(c1ccccc1Br)O BCP11801 [0,0,1,0,0,0|3,0,0]=4 50 B10R1.61 OC(=O)c1ccncc1C BCP06101 [0,0,1,0,0,0|3,0,0]=4 51 B10R1.61 OC1=C(C(O)=O)C=CC=C1 BCP09067 [0,0,1,0,0,0|1,0,0]=2 52 B12R2.24 CC1COC2=C(C=CC=C2)N1 BCP14442 [0,0,0,0,0,1|2,0,1]=4 53 B12R2.24 IC1=CC2=C(C=CC=C2)C=C1 BCP13447 [0,0,0,0,0,1|3,0,0]=4 54 B12R2.24 OC1=CC2=CC=CC=C2N=C1 BCP20129 [0,0,0,0,0,1|2,0,0]=3 55 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 BCP08062 [0,0,0,0,0,1|2,0,0]=3 56 B12R2.1081 ClC1=NC=CC2=NC=CC=C21 BCP08210 [0,0,0,0,0,1|3,0,0]=4 57 B12R2.1081 FC1=C2C(C=CC=C2)=CC=C1 BCP11223 [0,0,0,0,0,1|3,0,0]=4 58 B12R2.1081 IC1=CN=CC2=CC=CC=C12 BCP20025 [0,0,0,0,0,1|2,0,0]=3 59 B12R2.1081 Nc1nccc2ccccc12 BCP05774 [0,0,0,0,0,1|2,0,0]=3 60 B12R2.1081 O=C1CCNC2=C1C=CC=C2 BCP10083 [0,0,0,0,0,1|2,0,1]=4 61 B12R2.1081 O=C1CCOC2=C1C=CC=C2 BCP06538 [0,0,0,0,0,1|1,0,1]=3 62 B12R2.1081 O=C1NC=NC2=C1C=CC=C2 BCP00749 [0,0,0,0,0,1|1,0,2]=4 63 B12R2.1081 OC1=NC=CC2=C1C=NC=C2 BCP18680 [0,0,0,0,0,1|2,0,0]=3 64 B9R1.6 O=C(O)C1=CN=CC=C1 BCP16301 [1,0,1,0,0,0|1,0,1]=4 65 B9R1.6 OB(O)C1=CC=NC=C1 BCP01192 [1,0,1,0,0,0|2,0,0]=4 66 B9R1.8 ONCC1=CC=CC=C1 BCP07876 [1,0,1,0,0,0|0,0,2]=4 67 B9R1.15 IC1=C(C=O)C=CC=C1 BCP07495 [1,0,1,0,0,0|1,0,1]=4 68 B9R1.15 NC1=C(C=O)C=CC=C1 BCP07330 [1,0,1,0,0,0|0,0,2]=4 69 B9R1.15 OC1=CC=CN=C1CO BCP11425 [1,0,1,0,0,0|1,0,1]=4 70 B9R1.15 OCC1=NC=CC=C1O BCP14980 [1,0,1,0,0,0|1,0,1]=4 71 B11R1.36 C=C(C(O)=O)C1=CC=CC=C1 BCP01226 [0,1,1,0,0,0|2,0,0]=4 72 B11R1.1 ClC1=CC=C(OCCO)C=C1 BCP11228 [0,1,1,0,0,0|1,0,1]=4 73 B11R1.17 OC1=C(OCCO)C=CC=C1 BCP18969 [0,1,1,0,0,0|1,0,1]=4 74 B11R1.28 OCCOCC1=CC=CC=C1 BCP19562 [0,1,1,0,0,0|1,0,1]=4 75 B11R1.37 COC1=CC=C(Cl)C=C1C=O BCP06178 [0,1,1,0,0,0|1,0,1]=4 76 B11R1.37 O=CC1=C(OC)C=C(O)C=C1 BCP10291 [0,1,1,0,0,0|1,0,1]=4 77 B11R1.53 O=C(O)C1=CC=CC=C1CBr BCP10958 [0,1,1,0,0,0|2,0,0]=4 78 B11R1.156 CC1=CC=CC(O)=C1C(O)=O BCP05389 [0,1,1,0,0,0|1,0,0]=3 79 B11R1.156 ClC1=C(C(O)=O)C(C)=CC=C1 BCP15903 [0,1,1,0,0,0|2,0,0]=4 80 B11R1.156 NC1=CC=CC(F)=C1C(O)=O BCP16598 [0,1,1,0,0,0|2,0,0]=4 81 B11R1.156 O=C(O)C1=C(I)C=CC=C1Cl BCP20548 [0,1,1,0,0,0|2,0,0]=4 82 B11R1.159 CC1=C(Br)C=CC=C1C(O)=O BCP15096 [0,1,1,0,0,0|2,0,0]=4 83 B11R1.159 ClC1=C(C=CC=C1N)C(O)=O BCP11482 [0,1,1,0,0,0|2,0,0]=4 84 B11R1.159 FC1=C(Br)C=CC=C1C(O)=O BCP06895 [0,1,1,0,0,0|2,0,0]=4 85 B11R1.159 NC1=C(Br)C=CC=C1C(O)=O BCP19780 [0,1,1,0,0,0|2,0,0]=4 86 B11R1.159 O=C(O)C1=CC=CC(Cl)=C1I BCP20542 [0,1,1,0,0,0|2,0,0]=4 87 B11R1.159 O=C(O)C1=CC=CC(N)=C1F BCP01533 [0,1,1,0,0,0|2,0,0]=4 88 B11R1.159 OC(C1=CC=CC(N)=C1Br)=O BCP14102 [0,1,1,0,0,0|2,0,0]=4 89 B11R1.159 OC1=C(N)C=CC=C1C(C)=O BCP10837 [0,1,1,0,0,0|1,0,1]=4 90 B11R1.166 BrC1=C(C(O)=O)C=CC(Cl)=C1 BCP15958 [0,1,1,0,0,0|2,0,0]=4 91 B11R1.166 Brc1ccc(c(c1)O)C(=O)C BCP18244 [0,1,1,0,0,0|1,0,1]=4 92 B11R1.166 ClC1=C(C(O)=O)C=CC(N)=C1 BCP01197 [0,1,1,0,0,0|2,0,0]=4 93 B11R1.166 FC1=C(C(O)=O)C=CC(C)=C1 BCP09722 [0,1,1,0,0,0|2,0,0]=4 94 B11R1.166 NC1=C(C(O)=O)C=CC(F)=C1 BCP09507 [0,1,1,0,0,0|2,0,0]=4 95 B11R1.166 NC1=CC(Br)=CC=C1C(O)=O BCP14460 [0,1,1,0,0,0|2,0,0]=4 96 B11R1.166 O=C(O)C1=CC=C(Br)C=C1F BCP13399 [0,1,1,0,0,0|2,0,0]=4 97 B11R1.166 OC1=C(C(O)=O)C=CC(N)=C1 BCP18565 [0,1,1,0,0,0|1,0,0]=3 98 B11R1.166 OC1=C(C(O)=O)C=NC(C)=C1 BCP17538 [0,1,1,0,0,0|2,0,0]=4 99 B11R1.167 BrC=1C=CC(=CC1C(O)=O)F BCP14905 [0,1,1,0,0,0|2,0,0]=4 100 B11R1.167 CC1=C(C(O)=O)C=C(Br)C=C1 BCP08460 [0,1,1,0,0,0|2,0,0]=4 101 B11R1.167 CC1=C(C(O)=O)C=C(I)C=C1 BCP08718 [0,1,1,0,0,0|2,0,0]=4 102 B11R1.167 CC1=CC=C(F)C=C1C(O)=O BCP15139 [0,1,1,0,0,0|2,0,0]=4 103 B11R1.167 ClC=1C=CC(=CC1C(O)=O)Br BCP07097 [0,1,1,0,0,0|2,0,0]=4 104 B11R1.167 FC1=CC=C(I)C=C1C(O)=O BCP14014 [0,1,1,0,0,0|2,0,0]=4 105 B11R1.167 O=C(O)C1=CC(F)=CC=C1N BCP16119 [0,1,1,0,0,0|2,0,0]=4 106 B11R1.167 OC=1C=CC(=CC1C(O)=O)N BCP05326 [0,1,1,0,0,0|1,0,0]=3 107 B11R2.10 NC1=NC2=CC=CC=C2O1 BCP08019 [1,1,0,0,0,0|2,0,0]=4 108 B11R2.36 BrC1=CC2=C(C=C1)C=NN2 BCP00386 [1,1,0,0,0,0|1,0,0]=3 109 B11R2.36 BrC1=CC=2NN=CC2C=N1 BCP09518 [1,1,0,0,0,0|2,0,0]=4 110 B11R2.36 BrC1=CC=C2C=CSC2=C1 BCP04573 [1,1,0,0,0,0|1,1,0]=4 111 B11R2.36 BrC1=CC=C2NN=CC2=C1 BCP00022 [1,1,0,0,0,0|1,0,0]=3 112 B11R2.36 Brc1ccc2c(c1)CCO2 BCP08601 [1,1,0,0,0,0|1,0,1]=4 113 B11R2.36 Brc1ccc2c(c1)cco2 BCP01211 [1,1,0,0,0,0|1,0,0]=3 114 B11R2.36 CC1=CC2=C(C=C1)C=CN2 BCP00914 [1,1,0,0,0,0|2,0,0]=4 115 B11R2.36 ClC1=CC2=C(C=C1)C=CN2 BCP00061 [1,1,0,0,0,0|2,0,0]=4 116 B11R2.36 ClC1=CC2=C(C=C1)NN=C2 BCP00023 [1,1,0,0,0,0|1,0,0]=3 117 B11R2.36 ClC1=CC=2NN=CC2C=N1 BCP05299 [1,1,0,0,0,0|2,0,0]=4 118 B11R2.36 ClC1=CC=C2C(NN=C2)=C1 BCP00929 [1,1,0,0,0,0|1,0,0]=3 119 B11R2.36 ClC1=CC=C2NN=CC2=N1 BCP07454 [1,1,0,0,0,0|2,0,0]=4 120 B11R2.36 FC1=CC2=C(C=C1)NN=C2 BCP00024 [1,1,0,0,0,0|1,0,0]=3 121 B11R2.36 FC1=CC2=C(NC=C2)C=C1 BCP09868 [1,1,0,0,0,0|2,0,0]=4 122 B11R2.36 IC1=CC2=C(C=C1)C=NN2 BCP00928 [1,1,0,0,0,0|1,0,0]=3 123 B11R2.36 NC1=CC2=C(NN=C2)C=C1 BCP00021 [1,1,0,0,0,0|1,0,0]=3 124 B11R2.36 NC1=CC=C2OCCC2=C1 BCP19517 [1,1,0,0,0,0|1,0,1]=4 125 B11R2.36 Nc1ccc2c(c1)[nH]nc2 BCP00039 [1,1,0,0,0,0|1,0,0]=3 126 B11R2.36 OC1=CC2=C(C=C1)OCO2 BCP14043 [1,1,0,0,0,0|2,0,0]=4 127 B11R2.36 OC1=CC=C2NN=CC2=C1 BCP11175 [1,1,0,0,0,0|1,0,0]=3 128 B11R2.106 BrC1=C2C=CSC2=CC=C1 BCP06885 [1,1,0,0,0,0|1,1,0]=4 129 B11R2.106 BrC1=C2OC=CC2=CC=C1 BCP10086 [1,1,0,0,0,0|1,0,0]=3 130 B11R2.106 BrC1=CC=CC2=C1C=CN2 BCP00057 [1,1,0,0,0,0|2,0,0]=4 131 B11R2.106 BrC1=CC=CC2=C1C=NN2 BCP00013 [1,1,0,0,0,0|1,0,0]=3 132 B11R2.106 BrC1=CC=CC2=C1NN=C2 BCP00108 [1,1,0,0,0,0|1,0,0]=3 133 B11R2.106 BrC1=CC=NC2=C1C=NN2 BCP00123 [1,1,0,0,0,0|2,0,0]=4 134 B11R2.106 Brc1cccc2c1OCC2 BCP07134 [1,1,0,0,0,0|1,0,1]=4 135 B11R2.106 Brc1cccc2c1[nH]cc2 BCP00953 [1,1,0,0,0,0|2,0,0]=4 136 B11R2.106 ClC1=NC=CC2=C1C=NN2 BCP05300 [1,1,0,0,0,0|2,0,0]=4 137 B11R2.106 Clc1ccnc2c1cn[nH]2 BCP05298 [1,1,0,0,0,0|2,0,0]=4 138 B11R2.106 FC1=C2NN=CC2=CC=C1 BCP02784 [1,1,0,0,0,0|1,0,0]=3 139 B11R2.106 NC1=C2OCCC2=CC=C1 BCP14902 [1,1,0,0,0,0|1,0,1]=4 140 B13R2.155 BrC1=CC2=NC(N)=NC=C2C=C1 BCP13678 [0,1,0,0,0,1|2,0,0]=4 141 B13R2.155 ClC1=NC=C2C=CC(Br)=CC2=N1 BCP10060 [0,1,0,0,0,1|2,0,0]=4 142 B13R2.155 Nc1cc2cc(Br)ccc2cn1 BCP29210 [0,1,0,0,0,1|2,0,0]=4 143 B13R2.162 ClC1=NC2=C(Br)C=CC=C2C=N1 BCP07122 [0,1,0,0,0,1|2,0,0]=4 144 B13R2.369 NC1=CC=2C=CC=CC2OC1=O BCP20024 [0,1,0,0,0,1|2,0,0]=4 145 B13R2.3683 NC1=NC2=C(C=C(Br)C=C2)C=N1 BCP11479 [0,1,0,0,0,1|2,0,0]=4 146 B13R2.342 ClC1=NC=NC2=C1C=CC=C2C BCP18106 [0,1,0,0,0,1|2,0,0]=4 147 B13R2.342 ClC=1C2=CC=CC(=C2C=CN1)N BCP11497 [0,1,0,0,0,1|2,0,0]=4 148 B13R2.371 NC1=NC=C(Br)C2=C1C=CC=C2 BCP05765 [0,1,0,0,0,1|2,0,0]=4 149 B13R2.371 NC1=NC=C(I)C2=C1C=CC=C2 BCP05767 [0,1,0,0,0,1|2,0,0]=4 150 B13R2.371 NC1=NN=C(Cl)C2=C1C=CC=C2 BCP08963 [0,1,0,0,0,1|2,0,0]=4 151 B13R2.371 OC1=C2C=CC=CC2=C(Br)C=N1 BCP05766 [0,1,0,0,0,1|1,0,0]=3 152 B13R2.4818 OC1=C2C(O)=CC=CC2=CC=C1 BCP10859 [0,1,0,0,0,1|2,0,0]=4 153 B13R2.1 OCCC1=CNC2=C1C=CC=C2 BCP15412 [0,2,0,0,0,0|2,0,0]=4 154 B13R2.72 O=C(O)C1=NNC2=NC=CC=C21 BCP08141 [0,2,0,0,0,0|2,0,0]=4 155 B13R2.662 N#CC1=NNC2=C1C=CC(Br)=C2 BCP11558 [0,2,0,0,0,0|2,0,0]=4 156 B13R2.5187 NC1=NN(C)C2=C1C=C(Br)C=C2 BCP11537 [0,2,0,0,0,0|2,0,0]=4 157 B13R2.12159 O=S1(C=2C=CC=CC2C([O-])=N1)=O BCP08546 [0,2,0,0,0,0|0,1,1]=4 158 B11R2.20 C12=CC=NC=C1C=CC=C2 BCP23537 [0,0,1,1,0,0|2,0,0]=4