0 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 E1324 [0,0,0,0,0,0|0,0,2]=2 1 B12R1.286 COC1=CC(CCN)=CC=C1O M9172 [0,0,0,0,0,0|1,0,2]=3 2 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 I1325 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 I1325 [0,0,0,0,0,0|0,0,0]=0 4 B11R1.189 COC1=CC=CC(CC#N)=C1 M1205 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.189 COC1=CC=CC(CC#N)=C1 M1205 [1,0,0,0,0,0|1,0,2]=4 6 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D1738 [1,0,0,0,0,0|1,0,2]=4 7 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D1738 [1,0,0,0,0,0|1,0,2]=4 8 B11R1.280 C(=O)C1=CC(OC)=C(O)C=C1 V0255 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.280 C(=O)C1=CC=C(F)C(OC)=C1 F5224 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.280 CCC1=CC(OC)=C(O)C=C1 M4695 [1,0,0,0,0,0|0,0,1]=2 11 B11R1.280 COC1=C(O)C=CC(CN)=C1 H8581 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.280 COC1=CC(OC)=C(Br)C=C1 B9792 [1,0,0,0,0,0|2,0,0]=3 13 B11R1.280 COC1=CC(OC)=C(N)C=C1 D5394 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.280 COC1=CC(OC)=C(S)C=C1 D7833 [1,0,0,0,0,0|1,1,0]=3 15 B11R1.280 COC1=CC=C(Br)C(OC)=N1 B16947 [1,0,0,0,0,0|3,0,0]=4 16 B11R1.280 COC1=CC=C(F)C(OC)=C1 D7415 [1,0,0,0,0,0|2,0,0]=3 17 B11R1.280 COC1=CC=C(I)C(OC)=N1 I17070 [1,0,0,0,0,0|3,0,0]=4 18 B11R1.280 COC1=CC=C(O)C(OC)=N1 D14172 [1,0,0,0,0,0|2,0,0]=3 19 B13R1.52 COC1=CC(CC(C)=O)=CC=C1O H8215 [0,1,0,0,0,0|0,0,1]=2 20 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 D4607 [0,1,0,0,0,0|1,0,2]=4 21 B13R1.386 COC1=C(OC)C=C(N=C=S)C=C1 D8819 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.386 COC1=CC=C(CCN)C=C1OC D18878 [0,1,0,0,0,0|1,0,2]=4 23 B13R1.575 COC1=CC(OCCO)=CC=C1Br B13223 [0,1,0,0,0,0|2,0,1]=4 24 B13R1.4030 COC1=C(O)C(Br)=CC(CC#N)=C1 B10717 [0,1,0,0,0,0|1,0,2]=4 25 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 E1432 [0,0,0,1,0,0|1,0,1]=3 26 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 H7322 [0,0,0,1,0,0|1,0,2]=4 27 B10R1.172 C(=O)C1=CC=CC(OC)=C1 M0860 [2,0,0,0,0,0|1,0,0]=3 28 B10R1.172 C(=O)C1=CC=CC(OC)=N1 M11441 [2,0,0,0,0,0|2,0,0]=4 29 B10R1.172 C(=O)C1=CN=CC(OC)=C1 M11446 [2,0,0,0,0,0|2,0,0]=4 30 B10R1.172 COC1=CC=CC(CO)=C1 M0713 [2,0,0,0,0,0|1,0,1]=4 31 B10R1.172 COC1=CC=CC(NN)=C1 M11083 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.172 COC1=CC=CC(OC)=N1 D4569 [2,0,0,0,0,0|2,0,0]=4 33 B10R1.176 C(=O)C1=CC=C(F)C(C)=C1 F0677 [2,0,0,0,0,0|2,0,0]=4 34 B10R1.176 CC1=CC=C(C=O)C=C1C D3200 [2,0,0,0,0,0|2,0,0]=4 35 B10R1.176 COC1=CC(Br)=C(O)C=C1 B9145 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.176 COC1=CC(C)=C(Br)C=C1 B9069 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.176 COC1=CC=C(O)C(Cl)=C1 C7474 [2,0,0,0,0,0|2,0,0]=4 38 B10R1.176 N#CC1=CC(O)=C(O)C=C1 D5448 [2,0,0,0,0,0|1,0,1]=4 39 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C7429 [2,0,0,0,0,0|2,0,0]=4 40 B10R1.176 O=CC1=CC(O)=C(O)C=C1 D0664 [2,0,0,0,0,0|1,0,0]=3 41 B10R1.30 CCC1=C(O)C=CC(C)=N1 E16240 [2,0,0,0,0,0|2,0,0]=4 42 B10R1.30 COC1=C(Br)C=CC(F)=C1 B9230 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.30 COC1=C(Br)C=CC(O)=C1 B3002 [2,0,0,0,0,0|2,0,0]=4 44 B10R1.30 COC1=C(C)C=CC(Cl)=C1 C5456 [2,0,0,0,0,0|2,0,0]=4 45 B10R1.30 COC1=C(N)C=CC(Br)=C1 B18633 [2,0,0,0,0,0|2,0,0]=4 46 B10R1.30 COC1=CC(Br)=CC=C1Cl B9953 [2,0,0,0,0,0|2,0,0]=4 47 B10R1.30 COC1=CC(Cl)=CC=C1Cl D8081 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.30 COC1=CC(Cl)=CC=C1N C8763 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.30 COC1=CC(F)=CC=C1F D5209 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.30 COC1=CC(F)=CC=C1O F7215 [2,0,0,0,0,0|1,0,0]=3 51 B10R1.30 COC1=CC(N)=CC=C1Cl M11748 [2,0,0,0,0,0|2,0,0]=4 52 B10R1.30 COC1=CC(N)=CC=C1Cl M11748 [2,0,0,0,0,0|2,0,0]=4 53 B10R1.30 COC1=CC(N)=CC=C1O A18253 [2,0,0,0,0,0|1,0,0]=3 54 B12R1.435 COC(=O)C1=NC=CC(OC)=C1 M13878 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.435 COC1=CC(\C(N)=N/O)=CC=C1 H13792 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.435 COC1=CC=CC(C(=O)CBr)=C1 M10259 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 M13859 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M0114 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.438 CSC1=CC=CC(NC(C)=O)=C1 A3896 [1,1,0,0,0,0|1,1,0]=4 60 B12R1.19 CC(=O)NC1=CC=C(C)C(C)=C1 A18038 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.367 COC(=O)C1=CC(C)=C(Br)C=C1 M10263 [1,1,0,0,0,0|2,0,0]=4 62 B12R1.367 COC(=O)C1=CC(C)=C(N)C=C1 M5361 [1,1,0,0,0,0|2,0,0]=4 63 B12R1.367 COC(=O)C1=CC(O)=C(O)C=C1 M1208 [1,1,0,0,0,0|1,0,0]=3 64 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 H14900 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.367 COC(=O)C1=CC=C(O)C(C)=C1 H14900 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.367 O=C(CCl)C1=CC=C(O)C(O)=C1 D4702 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.56 CC(=O)C1=CC=C(O)C(CCl)=C1 C8388 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M4997 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.56 COC1=C(O)C=CC(C(=N)N)=C1 H13824 [1,1,0,0,0,0|1,0,0]=3 70 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 H1465 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M0420 [1,1,0,0,0,0|2,0,0]=4 72 B12R1.56 COC1=CC(C(=O)O)=CC=C1F F5226 [1,1,0,0,0,0|2,0,0]=4 73 B12R1.56 COC1=CC(C(=O)O)=CC=C1N A11531 [1,1,0,0,0,0|2,0,0]=4 74 B12R1.56 COC1=CC(C(C)=O)=CC=C1O M4699 [1,1,0,0,0,0|0,0,0]=2 75 B12R1.56 COC1=CC(C(C)O)=CC=C1O H13091 [1,1,0,0,0,0|0,0,1]=3 76 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D1393 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 D0107 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.78 COC1=C(OC)C=C(CN)C=C1 D5351 [1,1,0,0,0,0|1,0,1]=4 79 B12R1.78 COC1=C(OC)C=C(CO)C=C1 D7765 [1,1,0,0,0,0|1,0,1]=4 80 B12R1.78 COC1=CC(OC)=C(C=O)C=C1 D5029 [1,1,0,0,0,0|1,0,1]=4 81 B12R1.78 COC1=CC=C(OC)C(OC)=C1 T3380 [1,1,0,0,0,0|1,0,0]=3 82 B12R1.78 COC1=CC=C(SC)C=C1OC D8376 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.78 [C-]#[N+]C1=C(OC)C=C(OC)C=C1 D7586 [1,1,0,0,0,0|2,0,0]=4 84 B12R1.78 [C-]#[N+]C1=CC=C(OC)C(OC)=C1 D7585 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.449 COC1=CC(OC)=C(Cl)C=C1N A6743 [1,1,0,0,0,0|2,0,0]=4 86 B14R1.41 COC1=C(O)C=CC(C(N)C(=O)O)=C1 A14544 [0,2,0,0,0,0|1,0,1]=4 87 B14R1.1864 COC1=C(OC)C=C(C(=O)NN)C=C1 D8852 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 D3338 [0,2,0,0,0,0|1,0,1]=4 89 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 D1300 [0,2,0,0,0,0|0,0,1]=3 90 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC D13776 [0,2,0,0,0,0|1,0,1]=4 91 B14R1.3651 COC1=CC=C(CC(N)=S)C=C1OC D9507 [0,2,0,0,0,0|1,0,1]=4 92 B14R1.492 CCOC1=CC(OC)=C(B(O)O)C=C1 E3975 [0,2,0,0,0,0|1,0,1]=4 93 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O F0218 [0,2,0,0,0,0|0,0,1]=3 94 B12R1.450 COC1=C(O)C=C(C=O)C(Br)=C1 B5855 [0,0,1,1,0,0|2,0,0]=4 95 B12R2.44 CCC1=CC2=C(C=C1)NC=C2 E19161 [1,0,0,1,0,0|2,0,0]=4 96 B12R2.44 COC1=CC2=C(C=C1)CCN2 M11887 [1,0,0,1,0,0|1,0,1]=4 97 B12R2.44 COC1=CC2=C(C=C1)CNC2 M19226 [1,0,0,1,0,0|1,0,1]=4 98 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2839 [1,0,0,1,0,0|1,0,1]=4 99 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2839 [1,0,0,1,0,0|1,0,1]=4 100 B12R2.44 COC1=CC2=C(C=N1)NC=C2 M19150 [1,0,0,1,0,0|2,0,0]=4 101 B12R2.44 COC1=CC=C2NC=CC2=C1 C0378 [1,0,0,1,0,0|1,0,0]=3 102 B12R2.44 COC1=CC=C2NC=CC2=N1 M12576 [1,0,0,1,0,0|2,0,0]=4 103 B12R2.44 COC1=CC=C2NC=NC2=C1 M17396 [1,0,0,1,0,0|2,0,0]=4 104 B12R2.44 COC1=CC=C2NN=CC2=C1 M12178 [1,0,0,1,0,0|2,0,0]=4 105 B12R2.44 COC1=CC=C2NN=CC2=C1 M12178 [1,0,0,1,0,0|2,0,0]=4 106 B12R2.315 COC1=C2C=CNC2=CC=C1 M17761 [1,0,0,1,0,0|1,0,1]=4 107 B12R2.315 COC1=C2NN=CC2=CC=C1 M12180 [1,0,0,1,0,0|2,0,0]=4 108 B14R2.966 NNC(=O)C1=CC=C2OCOC2=C1 M4421 [0,1,0,1,0,0|2,0,0]=4 109 B14R2.966 N\C(=N/O)C1=CC=C2OCOC2=C1 H13143 [0,1,0,1,0,0|2,0,0]=4 110 B14R2.966 N\N=C(/N)C1=CC=C2OCOC2=C1 B13144 [0,1,0,1,0,0|2,0,0]=4 111 B14R2.966 O=C(CBr)C1=CC=C2OCOC2=C1 B10774 [0,1,0,1,0,0|1,0,1]=4 112 B14R2.1008 N=C(N)CC1=CC=C2OCOC2=C1 B13135 [0,1,0,1,0,0|1,0,1]=4 113 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 B8971 [0,1,0,1,0,0|1,0,1]=4 114 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 B18356 [0,1,0,1,0,0|1,0,1]=4 115 B14R2.82 COC1=C(OC)C=C2NCCC2=C1 D11908 [0,1,0,1,0,0|1,0,1]=4 116 B14R2.82 COC1=C(OC)C=C2NCCC2=C1 D11908 [0,1,0,1,0,0|1,0,1]=4 117 B14R2.82 COC1=CC2=C(C=C1OC)NC=C2 D8092 [0,1,0,1,0,0|1,0,0]=3 118 B14R2.82 COC1=CC2=C(C=C1OC)NC=N2 D8126 [0,1,0,1,0,0|2,0,0]=4