0 B14R2.112 NCCC1=CC=C2C=CC=NC2=C1 MC116294 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.112 OCCC1=NC2=CC=CC=C2C=C1 CS19646 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.112 ONCC1=CC2=CC=CC=C2C=C1 MC107668 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.112 S=C=Nc1ccc2ccccc2c1 MC440427 [0,0,0,0,0,0|2,0,1]=3 4 B13R2.57 BrCC1=CC2=CC=CC=C2N=C1 MC107111 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 CS17755 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.57 BrCC1=CC=C2N=CC=CC2=C1 MC107457 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.57 BrCC1=CC=C2N=CC=NC2=C1 CS12792 [1,0,0,0,0,0|3,0,0]=4 8 B13R2.57 BrCC1=NC2=CC=CC=C2C=C1 MC113801 [1,0,0,0,0,0|2,0,0]=3 9 B13R2.57 Br[Mg]c1ccc2ccccc2c1 MC121324 [1,0,0,0,0,0|2,0,0]=3 10 B13R2.57 C#CC1=CC2=CC=CC=C2C=C1 CS18943 [1,0,0,0,0,0|0,0,2]=3 11 B13R2.57 COC1=CC2=CC=CC=C2C=C1 MC10259 [1,0,0,0,0,0|0,0,0]=1 12 B13R2.57 COC1=CC2=CC=CC=C2N=C1 CS13082 [1,0,0,0,0,0|1,0,0]=2 13 B13R2.57 COC1=CC=C2C=CC=NC2=C1 CS12595 [1,0,0,0,0,0|1,0,0]=2 14 B13R2.57 COC1=CC=C2C=NC=CC2=C1 CS18348 [1,0,0,0,0,0|1,0,0]=2 15 B13R2.57 COC1=CC=C2N=CC=CC2=C1 CS22118 [1,0,0,0,0,0|1,0,0]=2 16 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS10061 [1,0,0,0,0,0|2,0,0]=3 17 B13R2.57 ClCC1=NC2=CC=CC=C2C=C1 CS20903 [1,0,0,0,0,0|2,0,0]=3 18 B13R2.57 ClCc1ccc2ccccc2c1 MC433891 [1,0,0,0,0,0|1,0,0]=2 19 B13R2.57 N#CC1=CC=C2C=NC=CC2=C1 CS10713 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.57 N#CC1=CC=C2N=CC=CC2=C1 CS19734 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.57 NCC1=CC2=CC=CC=C2C=C1 CS20395 [1,0,0,0,0,0|1,0,0]=2 22 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 CS12597 [1,0,0,0,0,0|2,0,0]=3 23 B13R2.57 NCC1=CC2=CC=CC=C2C=N1 MC105831 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.57 NCC1=CC=C2C=CC=NC2=C1 MC116267 [1,0,0,0,0,0|2,0,0]=3 25 B13R2.57 NCC1=CC=C2N=CC=NC2=C1 MC431333 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.57 NCC1=NC2=CC=CC=C2C=C1 CS18374 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.57 NNC1=CC2=CC=CC=C2C=C1 CS13970 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.57 NNC1=CC2=CC=CC=C2N=C1 MC107189 [1,0,0,0,0,0|3,0,0]=4 29 B13R2.57 NNC1=CC=C2C=CC=NC2=C1 MC107192 [1,0,0,0,0,0|3,0,0]=4 30 B13R2.57 NNC1=CC=C2C=CN=CC2=C1 MC107191 [1,0,0,0,0,0|3,0,0]=4 31 B13R2.57 NNC1=CC=C2C=NC=CC2=C1 MC107190 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.57 NNC1=CC=C2N=CC=CC2=C1 MC103266 [1,0,0,0,0,0|3,0,0]=4 33 B13R2.57 O=CC1=CC2=CC=CC=C2C=N1 MC33249 [1,0,0,0,0,0|2,0,1]=4 34 B13R2.57 O=CC1=CC2=CC=CC=C2N=C1 CS10059 [1,0,0,0,0,0|2,0,1]=4 35 B13R2.57 O=CC1=CC=C2N=CC=CC2=C1 CS10500 [1,0,0,0,0,0|2,0,1]=4 36 B13R2.57 OCC1=CC2=CC=CC=C2C=C1 CS13773 [1,0,0,0,0,0|1,0,0]=2 37 B13R2.57 OCC1=CC2=CC=CC=C2C=N1 MC33313 [1,0,0,0,0,0|2,0,0]=3 38 B13R2.57 OCC1=CC2=CC=CC=C2N=C1 CS13361 [1,0,0,0,0,0|2,0,0]=3 39 B13R2.57 [C-]#[N+]c1ccc2ccccc2c1 MC10341 [1,0,0,0,0,0|1,0,1]=3 40 B15R2.1290 CCOC1=CC=C2N=CN=C(Cl)C2=C1 CS22774 [0,1,0,0,0,0|2,0,0]=3 41 B15R2.1601 COC(=O)C1=CC2=CC=CC=C2C=N1 MC33372 [0,1,0,0,0,0|3,0,0]=4 42 B15R2.1668 CC(=O)NC1=CC=C2N=CC=CC2=C1 MC106797 [0,1,0,0,0,0|2,0,1]=4 43 B15R2.1668 CC(=O)OC1=CC=C2N=CC=CC2=C1 MC106776 [0,1,0,0,0,0|1,0,1]=3 44 B15R2.1668 FC(F)OC1=CC2=CC=CC=C2C=C1 MC431732 [0,1,0,0,0,0|1,0,0]=2 45 B15R2.1668 O=C(O)CC1=CC2=CC=CC=C2C=C1 CS11578 [0,1,0,0,0,0|2,0,1]=4 46 B13R1.470 CCOC(=O)CC1=C(Br)C=CC=C1 CS17651 [0,0,1,0,0,0|2,0,1]=4 47 B13R2.1 NCCC1=CNC2=CC=CC=C12 CS11096 [0,0,0,0,1,0|3,0,0]=4 48 B13R2.1 NCCC1=COC2=C1C=CC=C2 CS12984 [0,0,0,0,1,0|3,0,0]=4 49 B13R2.1 NCCN1C=CC2=CC=CC=C21 MC111243 [0,0,0,0,1,0|3,0,0]=4 50 B13R2.1 OCCN1C=CC2=CC=CC=C21 CS16151 [0,0,0,0,1,0|3,0,0]=4 51 B13R2.26 CCCC1=NC2=C(C=CC=C2)N1 CS19133 [0,0,0,0,1,0|3,0,0]=4 52 B13R2.26 CCSC1=CN2C=CC=CC2=N1 MC431201 [0,0,0,0,1,0|2,1,0]=4 53 B13R2.449 CCOC1=CC=C2NN=CC2=C1 MC107024 [0,0,0,0,1,0|2,0,0]=3 54 B13R2.449 NCCC1=CC=C2NC=CC2=C1 CS16534 [0,0,0,0,1,0|3,0,0]=4 55 B12R1.286 CCOC1=CC(C=O)=C(Br)C=C1 MC107360 [1,0,1,0,0,0|2,0,0]=4 56 B12R1.288 CCOC1=CC(F)=C(C=O)C=C1 CS16789 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.288 CCOC1=CC(O)=C(C=O)C=C1 MC21025 [1,0,1,0,0,0|2,0,0]=4 58 B12R2.24 BrC1=CC2=CC=CC=C2C=C1 CS19153 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.24 BrC1=CC2=CC=CC=C2C=N1 CS22177 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 BrC1=CC2=CC=CC=C2N=C1 CS21394 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.24 BrC1=CC=C2C=CC=NC2=C1 CS19085 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 BrC1=CC=C2C=CN=CC2=C1 CS19165 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 BrC1=CC=C2C=NC=CC2=C1 CS21398 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 BrC1=CC=C2N=CC=CC2=C1 CS10941 [2,0,0,0,0,0|2,0,0]=4 65 B12R2.24 BrC1=NC2=CC=CC=C2C=C1 CS21392 [2,0,0,0,0,0|2,0,0]=4 66 B12R2.24 CC1=CC2=CC=CC=C2C=N1 CS19703 [2,0,0,0,0,0|1,0,0]=3 67 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS11336 [2,0,0,0,0,0|1,0,0]=3 68 B12R2.24 CC1=CC=C2C=CC=NC2=C1 MC20324 [2,0,0,0,0,0|1,0,0]=3 69 B12R2.24 CC1=CC=C2C=NC=CC2=C1 CS10742 [2,0,0,0,0,0|1,0,0]=3 70 B12R2.24 CC1=CC=C2N=CC=CC2=C1 CS10066 [2,0,0,0,0,0|1,0,0]=3 71 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CS15412 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.24 CC1=NC2=CC=CC=C2C=C1 CS11335 [2,0,0,0,0,0|1,0,0]=3 73 B12R2.24 CC1=NC2=CN=CC=C2C=C1 MC111420 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.24 CC1=NC2=NC=CC=C2C=C1 CS18023 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.24 ClC1=CC2=CC=CC=C2C=N1 CS22238 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.24 ClC1=CC2=CC=CC=C2N=C1 CS22245 [2,0,0,0,0,0|2,0,0]=4 77 B12R2.24 ClC1=CC=C2C=CC=NC2=C1 CS10811 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 ClC1=CC=C2C=NC=CC2=C1 CS11526 [2,0,0,0,0,0|2,0,0]=4 79 B12R2.24 ClC1=CC=C2N=CC=CC2=C1 CS21425 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS21419 [2,0,0,0,0,0|2,0,0]=4 81 B12R2.24 FC1=CC2=CC=CC=C2C=N1 MC429919 [2,0,0,0,0,0|2,0,0]=4 82 B12R2.24 FC1=CC=C2C=NC=CC2=C1 CS14751 [2,0,0,0,0,0|2,0,0]=4 83 B12R2.24 FC1=CC=C2N=CC=CC2=C1 CS12098 [2,0,0,0,0,0|2,0,0]=4 84 B12R2.24 IC1=CC=C2N=CC=CC2=C1 MC30340 [2,0,0,0,0,0|2,0,0]=4 85 B12R2.24 NC1=CC2=CC=CC=C2C=C1 MC41753 [2,0,0,0,0,0|1,0,0]=3 86 B12R2.24 NC1=CC2=CC=CC=C2C=N1 CS21593 [2,0,0,0,0,0|2,0,0]=4 87 B12R2.24 NC1=CC2=CC=CC=C2N=C1 CS11010 [2,0,0,0,0,0|2,0,0]=4 88 B12R2.24 NC1=CC=C2C=CC=NC2=C1 CS12077 [2,0,0,0,0,0|2,0,0]=4 89 B12R2.24 NC1=CC=C2C=CN=CC2=C1 CS18893 [2,0,0,0,0,0|2,0,0]=4 90 B12R2.24 NC1=CC=C2C=NC=CC2=C1 CS18181 [2,0,0,0,0,0|2,0,0]=4 91 B12R2.24 NC1=CC=C2N=CC=CC2=C1 CS11016 [2,0,0,0,0,0|2,0,0]=4 92 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS11009 [2,0,0,0,0,0|2,0,0]=4 93 B12R2.24 OC1=CC2=CC=CC=C2C=C1 CS21708 [2,0,0,0,0,0|0,0,0]=2 94 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS19154 [2,0,0,0,0,0|1,0,0]=3 95 B12R2.24 OC1=CC=C2C=CC=NC2=C1 CS10982 [2,0,0,0,0,0|1,0,0]=3 96 B12R2.24 OC1=CC=C2C=CN=CC2=C1 MC441084 [2,0,0,0,0,0|1,0,0]=3 97 B12R2.24 OC1=CC=C2C=NC=CC2=C1 CS18471 [2,0,0,0,0,0|1,0,0]=3 98 B12R2.24 OC1=NC2=CC=CC=C2N=C1 CS21605 [2,0,0,0,0,0|2,0,0]=4 99 B12R2.24 OC1=NC2=CC=CN=C2C=C1 MC442462 [2,0,0,0,0,0|2,0,0]=4 100 B12R2.24 [O-][N+]1=CC2=CC=CC=C2C=C1 CS21529 [2,0,0,0,0,0|1,0,1]=4 101 B14R1.29 CCOC(=O)CC(=O)C1=CC=CC=C1 CS11380 [0,1,1,0,0,0|1,0,1]=4 102 B14R1.32 CCOC(=O)\C=C\C1=NC=CC(F)=C1 MC430430 [0,1,1,0,0,0|2,0,0]=4 103 B14R1.156 O=C(\C=C\C1=CC=CC=C1)NCCO MC445457 [0,1,1,0,0,0|2,0,0]=4 104 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Br)N=C1 MC103307 [0,1,1,0,0,0|2,0,0]=4 105 B14R1.502 CCOC(=O)\C=C\C1=CC=C(Cl)C=C1 MC433908 [0,1,1,0,0,0|1,0,0]=3 106 B14R1.502 CCOC(=O)\C=C\C1=CC=C(O)C=C1 MC431718 [0,1,1,0,0,0|1,0,0]=3 107 B14R2.92 COC1=C(Br)C2=CC=CC=C2C=C1 CS11559 [1,1,0,0,0,0|0,0,0]=2 108 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br MC106848 [1,1,0,0,0,0|1,0,0]=3 109 B14R2.92 COC1=CC=C2C=CN=CC2=C1Br MC443699 [1,1,0,0,0,0|1,0,0]=3 110 B14R2.92 N#CC1=C(N)C2=CC=CC=C2C=C1 MC445278 [1,1,0,0,0,0|1,0,1]=4 111 B14R2.134 COC1=CC2=CC(=O)NC=C2C=C1 CS16657 [1,1,0,0,0,0|1,0,0]=3 112 B14R2.134 COC1=CC=C2C=NC(C)=CC2=C1 MC33414 [1,1,0,0,0,0|1,0,0]=3 113 B14R2.134 COC1=CC=C2C=NC(Cl)=NC2=C1 CS17522 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.134 COC1=CC=C2N=CC(Br)=CC2=C1 MC105770 [1,1,0,0,0,0|1,0,0]=3 115 B14R2.134 COC1=CC=C2N=CC(Cl)=NC2=C1 CS15574 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.134 COC1=NC2=CC(Br)=CC=C2C=C1 CS17025 [1,1,0,0,0,0|1,0,0]=3 117 B14R2.134 COC1=NC2=CC(Br)=CC=C2N=C1 MC445710 [1,1,0,0,0,0|2,0,0]=4 118 B14R2.134 N#CC1=CC2=CC(O)=CC=C2C=C1 MC441105 [1,1,0,0,0,0|1,0,1]=4 119 B14R2.134 NCC1=CC=C2N=CC(Br)=CC2=C1 MC111641 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.142 CCC1=CC=C2NC=NC(=O)C2=C1 MC443298 [1,1,0,0,0,0|2,0,0]=4 121 B14R2.142 COC1=CC2=C(C=CNC2=O)N=C1 MC105056 [1,1,0,0,0,0|2,0,0]=4 122 B14R2.142 COC1=CC2=C(Cl)N=CC=C2N=C1 MC105057 [1,1,0,0,0,0|2,0,0]=4 123 B14R2.142 COC1=CC=C2C=CC=C(F)C2=C1 MC114055 [1,1,0,0,0,0|0,0,0]=2 124 B14R2.142 COC1=CC=C2N=CN=C(Cl)C2=C1 MC427119 [1,1,0,0,0,0|2,0,0]=4 125 B14R2.142 COC1=CC=C2N=CN=C(O)C2=C1 CS21598 [1,1,0,0,0,0|2,0,0]=4 126 B14R2.142 COC1=NC2=C(Cl)C=CN=C2C=C1 MC113270 [1,1,0,0,0,0|2,0,0]=4 127 B14R2.142 COC1=NC=C2N=CC=C(Cl)C2=C1 MC432367 [1,1,0,0,0,0|2,0,0]=4 128 B14R2.142 ClC1=NC=CC2=CC=C(CBr)C=C21 MC115073 [1,1,0,0,0,0|2,0,0]=4 129 B14R2.142 O=CC1=CC2=C(Br)C=CC=C2C=C1 MC432432 [1,1,0,0,0,0|1,0,1]=4 130 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 MC41741 [1,1,0,0,0,0|0,0,1]=3 131 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 CS16292 [1,1,0,0,0,0|1,0,1]=4 132 B14R2.781 OB(O)C1=CC2=CC=CC=C2C=C1 CS10062 [1,1,0,0,0,0|2,0,0]=4 133 B14R2.1019 COC1=CC(Br)=C2N=CC=CC2=C1 CS14701 [1,1,0,0,0,0|1,0,0]=3 134 B14R2.1019 COC1=CC(Cl)=C2N=CC=CC2=C1 MC21031 [1,1,0,0,0,0|1,0,0]=3 135 B14R2.1019 O=CC1=CC2=CC=CC=C2C(Br)=C1 MC431958 [1,1,0,0,0,0|1,0,1]=4 136 B14R2.1128 COC1=NC2=CC=CC=C2N=C1C MC111428 [1,1,0,0,0,0|2,0,0]=4 137 B14R2.1128 COC1=NC2=CC=CC=C2N=C1Cl CS21502 [1,1,0,0,0,0|2,0,0]=4 138 B14R2.1128 O=CC1=CC2=CC=CC=C2C=C1O MC425440 [1,1,0,0,0,0|1,0,1]=4 139 B14R2.1801 COC1=CC2=NC=CC(Cl)=C2N=C1 MC101943 [1,1,0,0,0,0|2,0,0]=4 140 B14R2.1801 COC1=CC=C2C(=C1)N=CN=C2Cl CS15302 [1,1,0,0,0,0|2,0,0]=4 141 B14R2.1801 COC1=CC=C2C(=O)N=CNC2=C1 CS15546 [1,1,0,0,0,0|2,0,0]=4 142 B14R2.1801 COC1=CC=C2C(=O)NC=CC2=C1 CS15544 [1,1,0,0,0,0|1,0,0]=3 143 B14R2.1801 COC1=CC=C2C(Br)=CC=CC2=C1 MC10530 [1,1,0,0,0,0|0,0,0]=2 144 B14R2.1801 COC1=CC=C2C(Br)=CC=NC2=C1 MC425083 [1,1,0,0,0,0|1,0,0]=3 145 B14R2.1801 COC1=CC=C2C(C)=CC=NC2=C1 MC428257 [1,1,0,0,0,0|1,0,0]=3 146 B14R2.1801 COC1=CC=C2C(Cl)=CC=NC2=C1 CS11294 [1,1,0,0,0,0|1,0,0]=3 147 B14R2.1801 COC1=CC=C2C(O)=CC=NC2=C1 MC425081 [1,1,0,0,0,0|1,0,0]=3 148 B14R2.1801 COC1=NC=C2C(=O)C=CNC2=C1 MC104551 [1,1,0,0,0,0|2,0,0]=4 149 B14R2.1801 COC1=NC=C2C(Cl)=CC=NC2=C1 MC101942 [1,1,0,0,0,0|2,0,0]=4 150 B14R2.2332 CC1=NC2=CC=C(CBr)C=C2C=C1 CS10592 [1,1,0,0,0,0|2,0,0]=4 151 B14R2.2332 COC1=CC2=CC=C(Br)C=C2N=C1 CS17260 [1,1,0,0,0,0|1,0,0]=3 152 B14R2.2332 COC1=CC=C2C=C(Br)C=CC2=C1 CS11560 [1,1,0,0,0,0|0,0,0]=2 153 B14R2.2332 COC1=CC=C2N=C(Cl)C=NC2=C1 CS12777 [1,1,0,0,0,0|2,0,0]=4 154 B14R2.2332 COC1=CC=C2N=C(Cl)N=CC2=C1 CS13141 [1,1,0,0,0,0|2,0,0]=4 155 B14R2.2332 COC1=NC2=CC=C(Br)C=C2C=C1 MC442727 [1,1,0,0,0,0|1,0,0]=3 156 B14R2.2332 COC1=NC2=CC=C(N)C=C2C=C1 MC425224 [1,1,0,0,0,0|1,0,0]=3 157 B14R2.2332 N#CC1=CC2=CC=C(Br)C=C2C=C1 MC111963 [1,1,0,0,0,0|1,0,1]=4 158 B14R2.2332 N#CC1=CC2=CC=C(O)C=C2C=C1 CS11544 [1,1,0,0,0,0|1,0,1]=4 159 B14R2.2332 O=CC1=CC2=CC=C(O)C=C2C=C1 CS10087 [1,1,0,0,0,0|1,0,1]=4 160 B14R2.2 CC(=O)OC1=CNC2=CC=CC=C21 MC426069 [0,1,0,0,1,0|1,0,1]=4 161 B14R2.2 CC(N)CC1=CNC2=CC=CC=C12 MC431258 [0,1,0,0,1,0|2,0,0]=4 162 B14R2.1008 CC(=O)OC1=CC2=C(C=C1)SC=C2 MC111399 [0,1,0,0,1,0|1,0,1]=4 163 B14R2.1008 CC(C)OC1=CC=C2NC=CC2=C1 CS16678 [0,1,0,0,1,0|1,0,0]=3 164 B14R2.6400 CCOC1=CC2=C(C=C1)NC(=S)N2 MC443145 [0,1,0,0,1,0|2,0,0]=4 165 B16R2.767 CCCC(=O)C1=CC=C2N=CC=CC2=C1 MC112166 [0,2,0,0,0,0|2,0,0]=4 166 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2C=N1 MC33250 [0,2,0,0,0,0|1,0,0]=3 167 B16R2.767 CCOC(=O)C1=CC2=CC=CC=C2CC1 MC107644 [0,2,0,0,0,0|0,0,2]=4 168 B16R2.767 CCOC(=O)C1=CC=C2C=NC=CC2=C1 MC427225 [0,2,0,0,0,0|1,0,0]=3 169 B16R2.767 CCOC(=O)C1=CC=C2N=CC=CC2=C1 CS11930 [0,2,0,0,0,0|1,0,0]=3 170 B16R2.767 CCOC(=O)C1=NC2=CN=CC=C2C=C1 MC110592 [0,2,0,0,0,0|2,0,0]=4 171 B16R2.5347 NCC(=O)Nc1ccc2ccccc2c1 MC437708 [0,2,0,0,0,0|1,0,1]=4 172 B16R2.5347 NCC(=O)Nc1ccc2ccccc2c1 MC437709 [0,2,0,0,0,0|1,0,1]=4 173 B16R2.1205 COC(=O)C1=CC2=CC(Br)=CC=C2C=C1 MC111504 [0,2,0,0,0,0|2,0,0]=4 174 B16R2.1205 COC(=O)C1=CC2=CC(O)=CC=C2C=C1 MC443170 [0,2,0,0,0,0|2,0,0]=4 175 B16R2.126902 CC(C)SC1=CC=C2N=CC=C(Cl)C2=C1 MC111633 [0,2,0,0,0,0|1,1,0]=4 176 B16R2.1229 CNC(=O)C1=C(O)C2=CC=CC=C2C=C1 MC443659 [0,2,0,0,0,0|2,0,0]=4 177 B16R2.1229 COC(=O)C1=C(Br)C2=CC=CC=C2C=C1 MC440148 [0,2,0,0,0,0|2,0,0]=4 178 B16R2.1229 COC(=O)C1=C(F)C2=CC=CC=C2C=C1 MC431947 [0,2,0,0,0,0|2,0,0]=4 179 B16R2.1229 O=C(CBr)C1=C(O)C2=CC=CC=C2C=C1 MC113474 [0,2,0,0,0,0|2,0,0]=4 180 B16R2.82802 CC(C)(N)CC1=CC2=CC=CC=C2C=C1 CS21654 [0,2,0,0,0,0|1,0,0]=3 181 B16R2.28230 CCCC1=CC=C2C=C(OC)C=CC2=C1 MC41798 [0,2,0,0,0,0|1,0,0]=3 182 B14R2.7150 OCCC1=CC=CC2=CC=CC=C21 CS11636 [0,0,1,1,0,0|2,0,0]=4 183 B14R3.49 C1=CC2=C(C=C1)C3=C(CCC3)N2 CS13524 [0,0,0,1,1,0|2,0,0]=4 184 B14R3.164 C1=CC2=C3C(=C1)CCCN3C=C2 MC115925 [0,0,0,1,1,0|2,0,0]=4 185 B16R3.2754 BrC1=C2CCCC2=NC3=C1C=CC=C3 MC114495 [0,1,0,1,0,0|2,0,0]=4 186 B16R3.2754 NC1=C2CCCC2=NC3=C1C=CC=C3 CS18816 [0,1,0,1,0,0|2,0,0]=4 187 B12R1.308 CCOC(=O)C1=C(Br)C=CC=C1 MC20191 [0,0,1,0,1,0|2,0,0]=4 188 B12R1.308 CCOC(=O)C1=C(C)C=CC=C1 MC40044 [0,0,1,0,1,0|1,0,1]=4 189 B12R1.308 CCOC(=O)C1=C(F)C=CC=C1 CS11340 [0,0,1,0,1,0|2,0,0]=4 190 B12R1.308 CCOC(=O)C1=CC=CC=C1O MC34575 [0,0,1,0,1,0|2,0,0]=4 191 B12R2.1 BrCC1=CSC2=C1C=CC=C2 CS17544 [1,0,0,0,1,0|2,0,0]=4 192 B12R2.1 COC1=NNC2=CC=CC=C21 MC428325 [1,0,0,0,1,0|2,0,0]=4 193 B12R2.1 NCC1=CNC2=CC=CC=C12 CS20093 [1,0,0,0,1,0|2,0,0]=4 194 B12R2.1 OCC1=CNC2=C1C=CC=C2 MC20402 [1,0,0,0,1,0|2,0,0]=4 195 B12R2.32 CCC1=NC2=C(C=CC=C2)N1 CS18815 [1,0,0,0,1,0|2,0,0]=4 196 B12R2.32 CSC1=CN2C=CC=CC2=C1 MC442361 [1,0,0,0,1,0|1,1,0]=4 197 B12R2.32 NCC1=CC2=C(C=CC=C2)O1 MC111185 [1,0,0,0,1,0|2,0,0]=4 198 B12R2.32 OCC1=CC2=CC=CC=C2N1 CS20715 [1,0,0,0,1,0|2,0,0]=4 199 B12R2.44 COC1=CC2=C(C=C1)N=CN2 MC425785 [1,0,0,0,1,0|2,0,0]=4 200 B12R2.44 COC1=CC2=C(C=C1)N=CS2 CS10718 [1,0,0,0,1,0|2,0,0]=4 201 B12R2.44 COC1=CC2=C(C=C1)ON=C2 CS10418 [1,0,0,0,1,0|2,0,0]=4 202 B12R2.44 COC1=CC2=C(C=C1)SC=C2 MC111400 [1,0,0,0,1,0|1,0,0]=3 203 B12R2.44 COC1=CC2=C(C=CO2)C=C1 CS16497 [1,0,0,0,1,0|1,0,0]=3 204 B12R2.44 COC1=CC2=C(C=CS2)C=C1 CS16120 [1,0,0,0,1,0|1,0,0]=3 205 B12R2.44 COC1=CC=C2C=CNC2=C1 MC20057 [1,0,0,0,1,0|1,0,0]=3 206 B12R2.44 COC1=CC=C2C=NNC2=C1 MC425259 [1,0,0,0,1,0|2,0,0]=4 207 B12R2.44 COC1=CC=C2NC=CC2=C1 CS22068 [1,0,0,0,1,0|1,0,0]=3 208 B12R2.44 COC1=CC=C2NC=CC2=N1 CS18048 [1,0,0,0,1,0|2,0,0]=4 209 B12R2.44 COC1=CC=C2NN=CC2=C1 MC425643 [1,0,0,0,1,0|2,0,0]=4 210 B12R2.44 COC1=CN2C=CN=C2C=C1 CS16254 [1,0,0,0,1,0|2,0,0]=4 211 B12R2.44 COC1=CN=C2C=CNC2=C1 MC105229 [1,0,0,0,1,0|2,0,0]=4 212 B12R2.44 COC1=CN=C2NC=CC2=C1 MC425416 [1,0,0,0,1,0|2,0,0]=4 213 B12R2.44 COC1=NC=C2NC=CC2=C1 MC428300 [1,0,0,0,1,0|2,0,0]=4 214 B12R2.44 CSC1=CC=C2NC=CC2=C1 MC106667 [1,0,0,0,1,0|1,1,0]=4 215 B12R2.44 NCC1=CC2=C(C=CS2)C=C1 MC107109 [1,0,0,0,1,0|2,0,0]=4 216 B12R2.44 NCC1=CC=C2NC=CC2=C1 MC425742 [1,0,0,0,1,0|2,0,0]=4