0 B12R1.16 CCNC(=O)C1=CC=C(N)C=C1 BBL008264 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.16 CCOC(=O)C1=CC=C(Cl)C=C1 BBL027799 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.16 CCOC(=O)C1=CC=C(O)C=C1 BBL012166 [0,0,0,0,0,0|1,0,0]=1 3 B12R1.16 N#CCC(=O)C1=CC=C(F)C=C1 BBL038588 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.1 CCCCC1=CC=C(N)C=C1 BBL012657 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.1 CCCOC1=CC=C(N)C=C1 BBL034245 [1,0,0,0,0,0|2,0,0]=3 6 B11R1.1 CCCOC1=CC=C(O)C=C1 BBL013152 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.1 NC1=CC=C(OCCO)C=C1 BBL013118 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.16 CCCC(=O)C1=CC=CC=C1 BBL027757 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.16 CCOC(=O)C1=CC=CC=C1 BBL010500 [1,0,0,0,0,0|0,0,0]=1 10 B11R1.16 CCOC(=O)C1=CC=NC=C1 BBL013187 [1,0,0,0,0,0|1,0,0]=2 11 B11R1.16 CCOC(=O)C1=NC=CC=C1 BBL036381 [1,0,0,0,0,0|1,0,0]=2 12 B11R1.16 O=C(C[Hg]Cl)C1=CC=CC=C1 BBL036091 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.22 CCC(=O)C1=CC=C(O)C=C1 BBL011845 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.22 CCC(N)C1=CC=C(Cl)C=C1 BBL017840 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.22 CCC(N)C1=CC=C(O)C=C1 BBL023689 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.22 CNC(=O)C1=CC=C(N)C=C1 BBL012115 [1,0,0,0,0,0|1,0,0]=2 17 B11R1.22 COC(=O)C1=CC=C(O)C=C1 BBL005648 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.22 NCC(=O)C1=CC=C(Cl)C=C1 BBL028371 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.22 NNC(=O)C1=CC=C(Br)C=C1 BBL023523 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.22 NNC(=O)C1=CC=C(Cl)C=C1 BBL003589 [1,0,0,0,0,0|3,0,0]=4 21 B11R1.22 NNC(=O)C1=CC=C(N)C=C1 BBL003523 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.22 NNC(=O)C1=CC=C(O)C=C1 BBL008415 [1,0,0,0,0,0|3,0,0]=4 23 B13R1.17 CCCNC(=O)C1=CC=C(N)C=C1 BBL014339 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.17 NC1=CC=C(C(=O)NCCO)C=C1 BBL028653 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.17 NCCNC(=O)C1=CC=C(Cl)C=C1 BBL018643 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.17 O=C(CCCCl)C1=CC=C(Cl)C=C1 BBL027850 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.17 O=C(CCCCl)C1=CC=C(F)C=C1 BBL009718 [0,1,0,0,0,0|2,0,0]=3 28 B13R1.17 OC1=CC=C(C(=O)OCCC)C=C1 BBL023754 [0,1,0,0,0,0|1,0,0]=2 29 B13R1.29 CCNS(=O)(=O)C1=CC=C(N)C=C1 BBL007980 [0,1,0,0,0,0|2,0,0]=3 30 B13R1.132 CC(C)NC(=O)C1=CC=C(N)C=C1 BBL014341 [0,1,0,0,0,0|1,0,0]=2 31 B13R1.452 CCOC(=O)C1=CC=C(NN)C=C1 BBL025632 [0,1,0,0,0,0|0,0,0]=1 32 B13R1.466 CCOC(=O)C1=CC(N)=C(C)C=C1 BBL034832 [0,1,0,0,0,0|1,0,0]=2 33 B13R1.1511 CCOC(=O)C1=C(N)NC(=O)N=C1 BBL028756 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.5179 CC1=CC=C2C(=O)CCCC2=N1 BBL032370 [0,0,0,1,0,0|3,0,0]=4 35 B13R2.5187 NC1=CC2=C(C=C1)C(=O)NC2=O BBL000087 [0,0,0,1,0,0|2,0,1]=4 36 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 BBL028284 [0,0,0,1,0,0|2,0,1]=4 37 B11R1.15 CCCC(=O)C1=CC=C(C)S1 BBL017872 [0,0,0,0,1,0|3,0,0]=4 38 B11R1.15 CCCC(=O)C1=CC=C(Cl)S1 BBL016564 [0,0,0,0,1,0|3,0,0]=4 39 B11R1.15 CCNC(=O)C1=CC=C(Br)O1 BBL015661 [0,0,0,0,1,0|3,0,0]=4 40 B11R1.15 CCNC(=O)C1=CC=C(Br)S1 BBL017814 [0,0,0,0,1,0|3,0,0]=4 41 B11R1.15 CCOC(=O)C1=CC(C)=NN1 BBL008948 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.15 CCOC(=O)C1=CC(C)=NO1 BBL004014 [0,0,0,0,1,0|3,0,0]=4 43 B11R1.15 CCOC(=O)C1=CN=C(N)S1 BBL100130 [0,0,0,0,1,0|2,0,0]=3 44 B11R1.15 CCOC(=O)C1=CSC(N)=N1 BBL007566 [0,0,0,0,1,0|2,0,0]=3 45 B11R1.15 CCOC(=O)C1=NN(C)C=C1 BBL038127 [0,0,0,0,1,0|3,0,0]=4 46 B11R1.15 CCOC(=O)C1=NNC(N)=C1 BBL040905 [0,0,0,0,1,0|2,0,0]=3 47 B11R1.15 CCOC(=O)C1=NOC(C)=C1 BBL008537 [0,0,0,0,1,0|3,0,0]=4 48 B13R1.19 CCCC(=O)NC1=CC=C(N)C=C1 BBL000076 [0,0,0,0,0,1|1,0,0]=2 49 B13R1.19 COCC(=O)NC1=CC=C(N)C=C1 BBL031279 [0,0,0,0,0,1|2,0,0]=3 50 B13R1.19 NCCC(=O)NC1=CC=C(Br)C=C1 BBL011288 [0,0,0,0,0,1|3,0,0]=4 51 B13R1.19 NCCC(=O)NC1=CC=C(Cl)C=C1 BBL011151 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.1 COCC1=CC=C(N)C=C1 BBL030690 [2,0,0,0,0,0|0,0,1]=3 53 B10R1.1 NC1=CC=C(CCO)C=C1 BBL036337 [2,0,0,0,0,0|1,0,1]=4 54 B10R1.17 CCCNC1=CC=CC=C1 BBL012082 [2,0,0,0,0,0|2,0,0]=4 55 B10R1.17 ClC\C=C\C1=CC=CC=C1 BBL011410 [2,0,0,0,0,0|2,0,0]=4 56 B10R1.17 OC\C=C\C1=CC=CC=C1 BBL027413 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.15 CCC(=O)C1=CC=CC=C1 BBL027754 [2,0,0,0,0,0|0,0,0]=2 58 B10R1.15 COC(=O)C1=CC=CC=C1 BBL010502 [2,0,0,0,0,0|0,0,0]=2 59 B10R1.15 NCC(=O)C1=CC=CC=C1 BBL028098 [2,0,0,0,0,0|1,0,0]=3 60 B10R1.15 NNC(=O)C1=CC=CC=C1 BBL019079 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.13 CC(=O)C1=CC=C(Cl)C=C1 BBL013140 [2,0,0,0,0,0|1,0,0]=3 62 B10R1.13 CC1=CC=C(C(=O)Cl)C=C1 BBL027306 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.13 N=C(N)C1=CC=C(N)C=C1 BBL007616 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.13 NC(=O)C1=CC=C(N)C=C1 BBL011581 [2,0,0,0,0,0|1,0,0]=3 65 B10R1.13 NC1=NC=C(C(=O)O)C=C1 BBL018585 [2,0,0,0,0,0|1,0,0]=3 66 B10R1.13 O=C(Cl)C1=CC=C(Cl)C=C1 BBL011385 [2,0,0,0,0,0|2,0,0]=4 67 B10R1.13 O=C(O)C1=CC=C(O)C=C1 BBL011981 [2,0,0,0,0,0|1,0,0]=3 68 B10R1.13 O=C1C=CC(C(=O)O)=CN1 BBL001444 [2,0,0,0,0,0|2,0,0]=4 69 B10R1.13 O=C1C=CC(C(=O)O)=CO1 BBL009090 [2,0,0,0,0,0|2,0,0]=4 70 B12R1.1 CCCCOC1=CC=C(N)C=C1 BBL027664 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.1 NCCOCC1=CC=C(Br)C=C1 BBL036628 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.49 CCC(=O)NC1=CC=C(N)C=C1 BBL000214 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.17 CCNC(=O)C1=CC(N)=CC=C1 BBL023674 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.17 CCOC(=O)C1=CC(Cl)=NC=C1 BBL018011 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.30 CCCCC(=O)C1=CC=CC=C1 BBL011454 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.308 CCNC(=O)C1=C(Cl)N=CC=C1 BBL014125 [1,1,0,0,0,0|2,0,0]=4 77 B12R1.308 CCOC(=O)C1=CC=CC=C1N BBL027654 [1,1,0,0,0,0|0,0,0]=2 78 B12R1.5 COC(=O)C1=CC=C(C=O)C=C1 BBL011959 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.12 CC\C(=N/O)C1=CC=C(C)C=C1 BBL038760 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.367 CCC(=O)C1=CC(C)=C(C)C=C1 BBL036406 [1,1,0,0,0,0|1,0,0]=3 81 B12R1.367 CCC(=O)C1=CC=C(O)C(O)=C1 BBL034668 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.367 CNC(=O)C1=CC(N)=C(F)C=C1 BBL031939 [1,1,0,0,0,0|2,0,0]=4 83 B12R1.367 COC(=O)C1=CC(Cl)=C(Cl)N=C1 BBL028230 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.367 COC(=O)C1=CC(N)=C(Br)C=C1 BBL035891 [1,1,0,0,0,0|1,0,0]=3 85 B12R1.367 COC(=O)C1=CC(N)=C(N)C=C1 BBL011055 [1,1,0,0,0,0|0,0,0]=2 86 B12R1.367 COC(=O)C1=CC=C(Cl)C(N)=C1 BBL034873 [1,1,0,0,0,0|1,0,0]=3 87 B12R1.367 COC(=O)C1=CC=C(N)C(O)=C1 BBL003500 [1,1,0,0,0,0|0,0,0]=2 88 B12R1.367 COC(=O)C1=CC=C(O)C(Br)=C1 BBL023237 [1,1,0,0,0,0|1,0,0]=3 89 B12R1.367 O=C(CBr)C1=CC(Cl)=C(Cl)C=C1 BBL104381 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.367 O=C(CCl)C1=CC(O)=C(O)C=C1 BBL011663 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.1703 CNC(=O)C1=C(Cl)C=C(N)C=C1 BBL011783 [1,1,0,0,0,0|1,0,0]=3 92 B12R1.1703 COC(=O)C1=C(O)C=C(O)C=C1 BBL036382 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.1703 O=C(CCl)C1=CC=C(O)C=C1O BBL011800 [1,1,0,0,0,0|2,0,0]=4 94 B12R1.313 CCOC(=O)C1=C(C)N=C(N)S1 BBL007631 [0,1,0,0,1,0|2,0,0]=4 95 B12R1.313 CCOC(=O)C1=C(C)SC(N)=N1 BBL010813 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.313 CCOC(=O)C1=C(N)SC(C)=C1 BBL015794 [0,1,0,0,1,0|2,0,0]=4 97 B12R1.313 CCOC(=O)C1=CC(N)=NN1C BBL040902 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.313 CCOC(=O)N1OC(N)=CC1=O BBL036473 [0,1,0,0,1,0|2,0,0]=4 99 B14R1.33 CCCCC(=O)NC1=CC=C(N)C=C1 BBL025854 [0,1,0,0,0,1|1,0,0]=3 100 B14R1.698 CN(C)CC(=O)NC1=CC=C(N)C=C1 BBL011779 [0,1,0,0,0,1|2,0,0]=4 101 B14R1.967 CCCC(=O)NC1=CC(N)=C(Cl)C=C1 BBL023569 [0,1,0,0,0,1|2,0,0]=4 102 B14R1.967 COCC(=O)NC1=CC=C(N)C(Cl)=C1 BBL036843 [0,1,0,0,0,1|2,0,0]=4 103 B14R1.6823 CCCC(=O)NC1=C(Cl)C=C(N)C=C1 BBL000060 [0,1,0,0,0,1|1,0,0]=3 104 B14R1.6823 COCC(=O)NC1=CC=C(N)C=C1Cl BBL031247 [0,1,0,0,0,1|2,0,0]=4 105 B14R1.10 CCC(C)NC(=O)C1=CC=C(N)C=C1 BBL023256 [0,2,0,0,0,0|1,0,0]=3 106 B14R1.19 CCCCNC(=O)C1=CC=C(N)C=C1 BBL023444 [0,2,0,0,0,0|1,0,0]=3 107 B14R1.19 COCCNC(=O)C1=CC=C(N)C=C1 BBL002040 [0,2,0,0,0,0|1,0,0]=3 108 B14R1.125 CCCNS(=O)(=O)C1=CC=C(N)C=C1 BBL008123 [0,2,0,0,0,0|2,0,0]=4 109 B14R1.678 CC(C)COC(=O)C1=CC=C(N)C=C1 BBL009300 [0,2,0,0,0,0|0,0,0]=2 110 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 BBL027666 [0,2,0,0,0,0|1,0,1]=4 111 B14R1.941 NC1=CC(C(=O)NCCO)=CC=C1Cl BBL009623 [0,2,0,0,0,0|2,0,0]=4 112 B14R1.2523 NC1=CC(Cl)=C(C(=O)NCCO)C=C1 BBL011187 [0,2,0,0,0,0|1,0,0]=3 113 B14R1.694 CC(C)NS(=O)(=O)C1=CC=C(N)C=C1 BBL002042 [0,2,0,0,0,0|2,0,0]=4 114 B14R1.683 CC(C)(C)NC(=O)C1=CC=C(N)C=C1 BBL002124 [0,2,0,0,0,0|1,0,0]=3 115 B14R1.6048 CC(C)NC(=O)C1=C(Cl)C=C(N)C=C1 BBL031286 [0,2,0,0,0,0|1,0,0]=3 116 B14R1.6048 CC(C)OC(=O)C1=CC=C(N)C=C1Cl BBL018105 [0,2,0,0,0,0|0,0,0]=2 117 B14R1.25 CCOC(=O)C1=CC=C(N=C=O)C=C1 BBL037658 [0,2,0,0,0,0|0,0,1]=3 118 B14R1.25 CCOC(=O)C1=CC=C(N=C=S)C=C1 BBL037344 [0,2,0,0,0,0|0,0,1]=3 119 B14R1.610 CCOC(=O)C1=CC=C([N+](=O)[O-])C=C1 BBL035699 [0,2,0,0,0,0|0,0,1]=3 120 B14R1.18811 CCOC(=O)C1=C(C)OC(=O)C=C1C BBL010916 [0,2,0,0,0,0|2,0,0]=4 121 B12R2.1081 O=C1CCCC2=CC=CC=C12 BBL027352 [1,0,0,1,0,0|1,0,0]=3 122 B12R2.2075 O=C(C1=CC=CC=C1)C2CC2 BBL027331 [1,0,0,1,0,0|1,0,0]=3 123 B12R2.612 O=C1COC2=CC(O)=CC=C12 BBL028131 [1,0,0,1,0,0|2,0,0]=4 124 B14R2.949 NC1=CC=C(NC(=O)C2CC2)C=C1 BBL013941 [0,0,0,1,0,1|1,0,0]=3 125 B14R2.20 CC1=NN=C(C2=CC=C(N)C=C2)O1 BBL012177 [0,1,0,1,0,0|1,0,1]=4 126 B14R2.933 NC1=CC=C(C(=O)NC2CC2)C=C1 BBL017780 [0,1,0,1,0,0|1,0,0]=3 127 B14R2.329 COC1=CC=C(C(=O)C2CC2)C=C1 BBL034623 [0,1,0,1,0,0|2,0,0]=4 128 B10R1.11 CCCC(=O)C1=CC=CS1 BBL037633 [1,0,0,0,1,0|2,0,0]=4 129 B10R1.11 CCOC(=O)C1=CC=CO1 BBL001830 [1,0,0,0,1,0|1,0,0]=3 130 B10R1.11 CCOC(=O)C1=NNC=C1 BBL005520 [1,0,0,0,1,0|2,0,0]=4 131 B10R1.14 CCC(=O)C1=CC=C(Br)S1 BBL037376 [1,0,0,0,1,0|2,0,0]=4 132 B10R1.14 CCC(=O)C1=CC=C(C)S1 BBL016562 [1,0,0,0,1,0|2,0,0]=4 133 B10R1.14 CCC(=O)C1=CC=C(Cl)S1 BBL016557 [1,0,0,0,1,0|2,0,0]=4 134 B10R1.14 COC(=O)C1=CC=C(Br)O1 BBL009127 [1,0,0,0,1,0|2,0,0]=4 135 B10R1.14 COC(=O)C1=NNC(N)=C1 BBL040969 [1,0,0,0,1,0|2,0,0]=4 136 B12R1.32 NCCC(=O)NC1=CC=CC=C1 BBL029584 [1,0,0,0,0,1|2,0,0]=4