0 B15R2.2195 C1=CC(\C=C\C2=CC=NC=C2)=CC=N1 MC445039 [0,0,0,0,0,0|4,0,0]=4 1 B15R2.2195 C1=CC=C(SSC2=CC=CC=C2)C=C1 MC40416 [0,0,0,0,0,0|0,0,0]=0 2 B16R2.71 BrC1=NC=CC=C1OCC2=CC=CC=C2 MC103290 [0,1,0,0,0,0|2,1,0]=4 3 B16R2.71 NC1=C(NCC2=CC=CC=C2)C=NC=C1 CS16195 [0,1,0,0,0,0|3,0,0]=4 4 B16R2.71 O=C1C=COC=C1OCC2=CC=CC=C2 CS16499 [0,1,0,0,0,0|2,1,0]=4 5 B16R2.88 NC(CC1=CC=CC=C1)C2=CC=CC=C2 MC116107 [0,1,0,0,0,0|2,0,0]=3 6 B16R2.88 NC(CC1=CC=CC=C1)C2=CC=CC=C2 MC116108 [0,1,0,0,0,0|2,0,0]=3 7 B16R2.88 O=C(CC1=CC=NC=C1)C2=CC=CC=C2 CS16825 [0,1,0,0,0,0|3,0,0]=4 8 B16R2.88 O=C(NC1=CC=CC=C1)C2=CC=NC=C2 MC106675 [0,1,0,0,0,0|3,0,0]=4 9 B16R2.132 BrC1=CC=C(COC2=NC=CC=C2)C=C1 MC103218 [0,1,0,0,0,0|2,1,0]=4 10 B16R2.132 BrC1=CC=C(OCC2=CC=CC=C2)C=C1 CS22610 [0,1,0,0,0,0|1,1,0]=3 11 B16R2.132 BrC1=NC=C(OCC2=CC=CC=C2)C=C1 MC431207 [0,1,0,0,0,0|2,1,0]=4 12 B16R2.132 Fc1ccc(OCc2ccccc2)cc1 MC41455 [0,1,0,0,0,0|1,1,0]=3 13 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)C=C1 CS14666 [0,1,0,0,0,0|1,1,0]=3 14 B16R2.132 NC1=CC=C(OCC2=CC=CC=C2)C=C1 MC33177 [0,1,0,0,0,0|1,1,0]=3 15 B16R2.132 NC1=NC=C(OCC2=CC=CC=C2)C=C1 MC425665 [0,1,0,0,0,0|2,1,0]=4 16 B16R2.132 OC1=CC=C(OCC2=CC=CC=C2)C=C1 CS13426 [0,1,0,0,0,0|1,1,0]=3 17 B16R2.252 BrC1=CC(OCC2=CC=CC=C2)=NC=C1 MC103289 [0,1,0,0,0,0|2,1,0]=4 18 B16R2.252 BrC1=NC=CC(OCC2=CC=CC=C2)=C1 MC106250 [0,1,0,0,0,0|2,1,0]=4 19 B16R2.252 CC1=NC(C#CC2=CC=CC=C2)=CC=C1 MC106704 [0,1,0,0,0,0|3,0,0]=4 20 B16R2.252 ClC1=CC(OCC2=CC=CC=C2)=NC=C1 CS17268 [0,1,0,0,0,0|2,1,0]=4 21 B16R2.252 FC1=CC=CC(OCC2=CC=CC=C2)=C1 MC433459 [0,1,0,0,0,0|1,1,0]=3 22 B16R2.252 NC1=CC(OCC2=CC=CC=C2)=CC=C1 CS22120 [0,1,0,0,0,0|1,1,0]=3 23 B16R2.252 NC1=CC(OCC2=CC=CC=C2)=NC=C1 MC445679 [0,1,0,0,0,0|2,1,0]=4 24 B16R2.252 O=C1C=C(OCC2=CC=CC=C2)C=CN1 CS22606 [0,1,0,0,0,0|2,1,0]=4 25 B16R2.252 OC1=CC(OCC2=CC=CC=C2)=CC=C1 MC41149 [0,1,0,0,0,0|1,1,0]=3 26 B16R3.9 C1=CC2=CN=C3C=CC=CC3=C2C=C1 MC41805 [0,0,0,1,0,0|2,0,0]=3 27 B16R3.9 C1=CC=C2C(=C1)C=CC3=C2C=CC=C3 MC41804 [0,0,0,1,0,0|2,0,0]=3 28 B14R2.6 C1=CC=C(OC2=CC=CC=C2)C=C1 MC41395 [0,0,0,0,1,0|0,1,0]=2 29 B14R2.6 C1=CC=C(OC2=CC=CN=C2)C=C1 CS22395 [0,0,0,0,1,0|1,1,0]=3 30 B14R2.6 C1=CC=C(OC2=CC=NC=C2)C=C1 CS19081 [0,0,0,0,1,0|1,1,0]=3 31 B14R2.6 C1=CC=C(PC2=CC=CC=C2)C=C1 MC440456 [0,0,0,0,1,0|1,0,0]=2 32 B14R2.6 C1=CC=C(SC2=CC=CC=C2)C=C1 MC40417 [0,0,0,0,1,0|0,0,0]=1 33 B14R2.6 C1=CC=C([I+]C2=CC=CC=C2)C=C1 MC426107 [0,0,0,0,1,0|1,0,0]=2 34 B14R2.6 C1=CN=CC(NC2=NC=CC=C2)=C1 MC107753 [0,0,0,0,1,0|3,0,0]=4 35 B14R2.6 c1ccc(Nc2ncccn2)cc1 MC10095 [0,0,0,0,1,0|3,0,0]=4 36 B14R2.6 c1ccc([I+]c2ccccc2)cc1 MC440254 [0,0,0,0,1,0|1,0,0]=2 37 B16R2.2256 C1=CC=C(CCOC2=CC=CC=C2)C=C1 CS21740 [0,0,0,0,0,1|1,1,0]=3 38 B16R2.2256 C1=CC=C(CNCC2=CC=CC=C2)C=C1 CS11227 [0,0,0,0,0,1|2,0,0]=3 39 B15R2.29 BrC1=CC=C(NC2=CC=CC=C2)C=C1 CS22680 [0,1,0,0,1,0|1,0,0]=3 40 B15R2.29 BrC1=CC=C(OC2=CC=CC=C2)C=C1 CS22679 [0,1,0,0,1,0|0,1,0]=3 41 B15R2.29 BrC1=CN=C(OC2=CC=CC=C2)C=C1 CS13020 [0,1,0,0,1,0|1,1,0]=4 42 B15R2.29 CC1=CC=C(OC2=CC=CC=C2)C=C1 CS20766 [0,1,0,0,1,0|0,1,0]=3 43 B15R2.29 Cc1ccc(Nc2ccccc2)cc1 CS11831 [0,1,0,0,1,0|1,0,0]=3 44 B15R2.29 ClC1=CC=C(OC2=CC=CC=C2)C=C1 MC20068 [0,1,0,0,1,0|0,1,0]=3 45 B15R2.29 NC1=CC=C(CC2=CC=CC=C2)C=C1 MC433264 [0,1,0,0,1,0|1,0,0]=3 46 B15R2.29 NC1=CC=C(OC2=CC=CN=C2)C=C1 CS12451 [0,1,0,0,1,0|1,1,0]=4 47 B15R2.29 NC1=CC=C(OC2=CC=NC=C2)C=C1 MC425731 [0,1,0,0,1,0|1,1,0]=4 48 B15R2.29 OC1=CC=C(OC2=CC=CC=C2)C=C1 MC20953 [0,1,0,0,1,0|0,1,0]=3 49 B15R2.31 BrC1=CC(OC2=CC=CC=C2)=CC=C1 MC41468 [0,1,0,0,1,0|0,1,0]=3 50 B15R2.31 CC1=CC(OC2=CC=CC=C2)=CC=C1 MC41524 [0,1,0,0,1,0|0,1,0]=3 51 B15R2.31 Cc1cccc(Nc2ccccc2)c1 CS11830 [0,1,0,0,1,0|1,0,0]=3 52 B15R2.31 NC1=CC=CC(NC2=CC=CC=C2)=C1 CS16106 [0,1,0,0,1,0|1,0,0]=3 53 B15R2.31 OC1=CC(CC2=CC=CC=C2)=CC=C1 CS19745 [0,1,0,0,1,0|1,0,0]=3 54 B15R2.38 Brc1ccccc1Nc2ccccc2 MC440612 [0,1,0,0,1,0|1,0,0]=3 55 B15R2.38 NC1=CC=CC=C1SC2=CC=CC=C2 MC20575 [0,1,0,0,1,0|0,0,0]=2 56 B15R2.38 NC1=NC=CC=C1OC2=CC=CC=C2 CS17614 [0,1,0,0,1,0|1,1,0]=4 57 B15R2.38 OC1=C(CC2=CC=CC=C2)C=CC=C1 CS14092 [0,1,0,0,1,0|1,0,0]=3 58 B15R2.2226 BrC(C1=CC=CC=C1)C2=CC=CC=C2 MC20802 [0,1,0,0,1,0|1,0,0]=3 59 B15R2.2226 C=C(C1=CC=CC=C1)C2=CC=CC=C2 MC434064 [0,1,0,0,1,0|1,0,0]=3 60 B15R2.2226 CP(c1ccccc1)c2ccccc2 MC444843 [0,1,0,0,1,0|1,0,0]=3 61 B15R2.2226 CP(c1ccccc1)c2ccccc2 MC444930 [0,1,0,0,1,0|1,0,0]=3 62 B15R2.2226 N=C(C1=CC=CC=C1)C2=CC=CC=C2 CS10990 [0,1,0,0,1,0|1,0,0]=3 63 B15R2.2226 NC(C1=CC=CC=C1)C2=CC=CC=C2 CS20006 [0,1,0,0,1,0|1,0,0]=3 64 B15R2.2226 NC(C1=CC=CC=C1)C2=NC=CC=C2 CS12986 [0,1,0,0,1,0|2,0,0]=4 65 B15R2.2226 N[NH+](C1=CC=CC=C1)C2=CC=CC=C2 MC20411 [0,1,0,0,1,0|1,0,0]=3 66 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CC=C2 MC41292 [0,1,0,0,1,0|1,0,0]=3 67 B15R2.2226 O=C(C1=CC=CC=C1)C2=CC=CN=C2 CS19945 [0,1,0,0,1,0|2,0,0]=4 68 B15R2.2226 O=S(C1=CC=CC=C1)C2=CC=CC=C2 CS11269 [0,1,0,0,1,0|0,0,1]=3 69 B15R2.2226 O=[PH](C1=CC=CC=C1)C2=CC=CC=C2 MC440611 [0,1,0,0,1,0|1,0,0]=3 70 B15R2.2226 OC(C1=CC=CC=C1)C2=CC=CC=C2 CS16259 [0,1,0,0,1,0|1,0,0]=3 71 B17R2.216 OC1=CC=C(OCCC2=CC=CC=C2)C=C1 MC30302 [0,1,0,0,0,1|1,1,0]=4 72 B17R2.2342 CC(NCC1=CC=CC=C1)C2=CC=CC=C2 CS13837 [0,1,0,0,0,1|2,0,0]=4 73 B17R2.2342 CC(NCC1=CC=CC=C1)C2=CC=CC=C2 CS14243 [0,1,0,0,0,1|2,0,0]=4 74 B17R2.2342 O=C(COC1=CC=CC=C1)C2=CC=CC=C2 MC41269 [0,1,0,0,0,1|1,1,0]=4 75 B17R2.3417 O=C(CC1=CC=CC=C1)C2=C(O)C=CC=C2 MC100308 [0,2,0,0,0,0|2,0,0]=4 76 B17R2.3417 O=C(OC1=CC=CC=C1)C2=CC=CC=C2O MC34574 [0,2,0,0,0,0|1,1,0]=4 77 B17R2.5121 FC1=C(CCC2=C(F)C=CC=C2)C=CC=C1 MC429922 [0,2,0,0,0,0|2,0,0]=4 78 B17R2.5121 FC1=C(SSC2=C(F)C=CC=C2)C=CC=C1 CS20970 [0,2,0,0,0,0|0,0,0]=2 79 B17R2.5121 NC1=NC=CC=C1SSC2=CC=CN=C2N MC115113 [0,2,0,0,0,0|2,0,0]=4 80 B17R2.5274 NC1=C(OCC2=CC=CC=C2)C=CC=C1F MC40854 [0,2,0,0,0,0|1,1,0]=4 81 B17R2.5360 CC1=CC(Br)=C(OCC2=CC=CC=C2)C=C1 MC433458 [0,2,0,0,0,0|1,1,0]=4 82 B17R2.5360 NC1=CC(Br)=C(OCC2=CC=CC=C2)C=C1 MC112379 [0,2,0,0,0,0|1,1,0]=4 83 B17R2.5360 OC1=CC(Br)=C(OCC2=CC=CC=C2)C=C1 CS22608 [0,2,0,0,0,0|1,1,0]=4 84 B17R2.5360 OC1=CC(F)=C(OCC2=CC=CC=C2)C=C1 MC442730 [0,2,0,0,0,0|1,1,0]=4 85 B17R2.192 O=C(NC1=CC=CC=C1)C2=CC=C(O)C=C2 MC430328 [0,2,0,0,0,0|2,0,0]=4 86 B17R2.192 O=C(OC1=CC=CC=C1)C2=CC=C(O)C=C2 MC10321 [0,2,0,0,0,0|1,1,0]=4 87 B17R2.209 O=C(CC1=CC=C(Cl)C=C1)C2=CC=CC=C2 MC425676 [0,2,0,0,0,0|2,0,0]=4 88 B17R2.209 O=C(CC1=CC=C(F)C=C1)C2=CC=CC=C2 MC429125 [0,2,0,0,0,0|2,0,0]=4 89 B17R2.209 O=C(OC1=CC=C(Cl)C=C1)C2=CC=CC=C2 MC40016 [0,2,0,0,0,0|1,1,0]=4 90 B17R2.5273 O=C(CC1=CC=CC=C1)C2=CC(F)=CC=C2 MC429111 [0,2,0,0,0,0|2,0,0]=4 91 B17R2.5273 O=C(NC1=CC=CC=C1)C2=CC(F)=CC=C2 MC427190 [0,2,0,0,0,0|2,0,0]=4 92 B17R2.5293 O=C(CC1=CC(F)=CC=C1)C2=CC=CC=C2 MC430412 [0,2,0,0,0,0|2,0,0]=4 93 B17R2.10205 NC(C1=CC=CC=C1)C(N)C2=CC=CC=C2 MC20320 [0,2,0,0,0,0|2,0,0]=4 94 B17R2.10205 NC(C1=CC=CC=C1)C(N)C2=CC=CC=C2 MC20321 [0,2,0,0,0,0|2,0,0]=4 95 B17R2.10205 NC(C1=CC=CC=C1)C(O)C2=CC=CC=C2 CS12024 [0,2,0,0,0,0|2,0,0]=4 96 B17R2.10205 NC(C1=CC=CC=C1)C(O)C2=CC=CC=C2 CS12025 [0,2,0,0,0,0|2,0,0]=4 97 B17R2.10205 OC(C1=CC=CC=C1)C(O)C2=CC=CC=C2 CS20298 [0,2,0,0,0,0|2,0,0]=4 98 B17R2.10205 [S-]\C(C1=CC=CC=C1)=C(\[S-])C2=CC=CC=C2 MC445733 [0,2,0,0,0,0|2,0,0]=4 99 B17R2.48 ClCC1=CC=C(OCC2=CC=CC=C2)C=C1 MC10288 [0,2,0,0,0,0|1,1,0]=4 100 B17R2.48 N#CC1=CC=C(OCC2=CC=CC=C2)C=C1 MC40624 [0,2,0,0,0,0|1,1,0]=4 101 B17R2.48 NNC1=CC=C(OCC2=CC=CC=C2)C=C1 CS22614 [0,2,0,0,0,0|1,1,0]=4 102 B17R2.48 O=CC1=CC=C(C#CC2=CC=CC=C2)C=C1 CS12105 [0,2,0,0,0,0|2,0,0]=4 103 B17R2.48 O=CC1=CC=C(OCC2=CC=CC=C2)C=C1 CS14384 [0,2,0,0,0,0|1,1,0]=4 104 B17R2.207 NC1=CC=C(C#CC2=CC=C(N)C=C2)C=C1 MC444613 [0,2,0,0,0,0|2,0,0]=4 105 B17R2.1819 N#CC1=CC(OCC2=CC=CC=C2)=CC=C1 MC427445 [0,2,0,0,0,0|1,1,0]=4 106 B17R2.1819 NCC1=CC(OCC2=CC=CC=C2)=CC=C1 CS17188 [0,2,0,0,0,0|1,1,0]=4 107 B17R2.1819 NCC1=CC(OCC2=CC=CC=C2)=CC=C1 MC431334 [0,2,0,0,0,0|1,1,0]=4 108 B17R2.1819 O=CC1=CC(OCC2=CC=CC=C2)=CC=C1 CS11989 [0,2,0,0,0,0|1,1,0]=4 109 B17R2.5300 ClC1=CC=CC(SSC2=CC(Cl)=CC=C2)=C1 MC111026 [0,2,0,0,0,0|0,0,0]=2 110 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)O2 CS10096 [0,0,0,1,1,0|0,1,0]=3 111 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CC=C3)S2 MC440453 [0,0,0,1,1,0|0,0,0]=2 112 B15R3.3 C1=CC2=C(C=C1)C3=C(C=CN=C3)N2 MC440587 [0,0,0,1,1,0|2,0,0]=4 113 B15R3.3 C1=CC=C2C(=C1)CC3=C2C=CC=C3 MC21057 [0,0,0,1,1,0|1,0,0]=3 114 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CC=C3 CS16174 [0,0,0,1,1,0|1,0,0]=3 115 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CC=N3 CS17369 [0,0,0,1,1,0|2,0,0]=4 116 B15R3.3 C1=CC=C2C(=C1)NC3=C2C=CN=C3 MC33245 [0,0,0,1,1,0|2,0,0]=4 117 B17R3.8 C1=CC=C(N2C=CC3=CC=CC=C32)C=C1 CS20785 [0,0,0,1,0,1|2,0,0]=4 118 B17R3.1830 C1=CC2=C(C=C1)NC3=C(C=CC=C3)C=C2 MC445517 [0,1,0,1,0,0|2,0,0]=4 119 B17R3.8708 C1=CC=C(C2=NC3=C(C=CC=C3)O2)C=C1 MC442525 [0,1,0,1,0,0|1,1,0]=4 120 B17R3.54615 BrC1=CC2=C(C=CC=C2)C3=CC=CC=C13 MC20693 [0,1,0,1,0,0|2,0,0]=4 121 B17R3.18998 BrC1=CC2=C(C=C1)C=CC3=CC=CC=C32 MC426180 [0,1,0,1,0,0|2,0,0]=4 122 B17R3.31 BrC1=CC2=C(C=C1)C3=CC=CC=C3C=C2 MC440071 [0,1,0,1,0,0|2,0,0]=4 123 B17R3.50084 BrC1=CC=CC2=C1C3=CC=CC=C3C=C2 MC440496 [0,1,0,1,0,0|2,0,0]=4 124 B13R2.3 C1=CC(C2=CC=NC=C2)=CC=N1 MC20512 [0,0,0,0,2,0|2,0,0]=4 125 B13R2.3 C1=CC=C(C2=CC=CC=C2)C=C1 MC440435 [0,0,0,0,2,0|0,0,0]=2 126 B13R2.3 C1=CC=C(C2=CC=CN=N2)C=C1 CS22399 [0,0,0,0,2,0|2,0,0]=4 127 B13R2.3 C1=CC=C(C2=NC=CC=C2)C=C1 CS11547 [0,0,0,0,2,0|1,0,0]=3 128 B13R2.3 C1=CN=C(C2=NC=CC=C2)C=C1 CS13333 [0,0,0,0,2,0|2,0,0]=4 129 B13R2.3 c1ccc(-c2ccccn2)cc1 MC114970 [0,0,0,0,2,0|1,0,0]=3 130 B13R2.3 c1ccc(-c2ccccn2)cc1 MC445014 [0,0,0,0,2,0|1,0,0]=3 131 B13R2.3 c1ccc(-c2ccccn2)nc1 MC444916 [0,0,0,0,2,0|2,0,0]=4 132 B13R2.3 c1ccc(-c2ccccn2)nc1 MC444974 [0,0,0,0,2,0|2,0,0]=4 133 B13R2.3 c1ccc(-c2ccccn2)nc1 MC444975 [0,0,0,0,2,0|2,0,0]=4 134 B13R2.64 C1=CC=C(NC2=CC=CS2)C=C1 MC100924 [0,0,0,0,2,0|2,0,0]=4 135 B17R2.2382 C1=CC=C(OCCOC2=CC=CC=C2)C=C1 MC20103 [0,0,0,0,0,2|0,2,0]=4