0 B12R1.286 C=CCC1=CC=C(O)C(OC)=C1 E1324 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.286 COC1=CC(CCN)=CC=C1O M9172 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 I1325 [0,0,0,0,0,0|0,0,2]=2 3 B12R1.286 C\C=C\C1=CC(OC)=C(O)C=C1 I1325 [0,0,0,0,0,0|0,0,2]=2 4 B11R1.189 COC1=CC=CC(CC#N)=C1 M1205 [1,0,0,0,0,0|1,0,1]=3 5 B11R1.189 COC1=CC=CC(CC#N)=C1 M1205 [1,0,0,0,0,0|1,0,1]=3 6 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D1738 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.192 NCCC1=CC=C(O)C(O)=C1 D1738 [1,0,0,0,0,0|1,0,1]=3 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|1,0,0]=2 12 B11R1.280 COC1=CC(OC)=C(Br)C=C1 B9792 [1,0,0,0,0,0|2,0,1]=4 13 B11R1.280 COC1=CC(OC)=C(N)C=C1 D5394 [1,0,0,0,0,0|2,0,1]=4 14 B11R1.280 COC1=CC(OC)=C(S)C=C1 D7833 [1,0,0,0,0,0|1,1,1]=4 15 B11R1.280 COC1=CC=C(F)C(OC)=C1 D7415 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.280 COC1=CC=C(O)C(OC)=N1 D14172 [1,0,0,0,0,0|2,0,1]=4 17 B13R1.52 COC1=CC(CC(C)=O)=CC=C1O H8215 [0,1,0,0,0,0|0,0,1]=2 18 B13R1.386 COC1=C(OC)C=C(CC#N)C=C1 D4607 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.386 COC1=C(OC)C=C(N=C=S)C=C1 D8819 [0,1,0,0,0,0|2,0,1]=4 20 B13R1.386 COC1=CC=C(CCN)C=C1OC D18878 [0,1,0,0,0,0|1,0,1]=3 21 B13R1.575 COC1=CC(OCCO)=CC=C1Br B13223 [0,1,0,0,0,0|2,0,1]=4 22 B13R1.4030 COC1=C(O)C(Br)=CC(CC#N)=C1 B10717 [0,1,0,0,0,0|1,0,1]=3 23 B13R2.449 BrCCC1=CC=C2OCCC2=C1 B18496 [0,0,0,1,0,0|2,0,1]=4 24 B13R2.449 CCNC1=CC2=C(C=C1)OCO2 E1432 [0,0,0,1,0,0|1,0,2]=4 25 B13R2.449 NCCC1=CC2=C(C=C1)OCO2 H7322 [0,0,0,1,0,0|1,0,1]=3 26 B10R1.10 NCCC1=CC=CC(O)=C1 H7973 [2,0,0,0,0,0|1,0,1]=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|1,0,0]=3 31 B10R1.172 COC1=CC=CC(NN)=C1 M11083 [2,0,0,0,0,0|2,0,0]=4 32 B10R1.1 N#CCC1=CC=C(O)C=C1 H0435 [2,0,0,0,0,0|1,0,1]=4 33 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [2,0,0,0,0,0|1,0,1]=4 34 B10R1.1 NCCC1=CC=C(O)C=C1 T0145 [2,0,0,0,0,0|1,0,1]=4 35 B10R1.176 C(=O)C1=CC=C(F)C(C)=C1 F0677 [2,0,0,0,0,0|2,0,0]=4 36 B10R1.176 CC1=CC=C(C=O)C=C1C D3200 [2,0,0,0,0,0|2,0,0]=4 37 B10R1.176 N#CC1=CC(O)=C(O)C=C1 D5448 [2,0,0,0,0,0|1,0,1]=4 38 B10R1.176 O=CC1=CC(Cl)=C(O)C=C1 C7429 [2,0,0,0,0,0|2,0,0]=4 39 B10R1.176 O=CC1=CC(O)=C(O)C=C1 D0664 [2,0,0,0,0,0|1,0,0]=3 40 B10R1.176 OCC1=CC=C(O)C(Br)=C1 B14684 [2,0,0,0,0,0|2,0,0]=4 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 B12R1.280 C=CCC1=C(O)C(C=O)=CC=C1 A12710 [1,1,0,0,0,0|2,0,0]=4 55 B12R1.438 COC1=CC(CC(=N)N)=CC=C1 M13859 [1,1,0,0,0,0|1,0,0]=3 56 B12R1.438 COC1=CC=CC(CC(=O)O)=C1 M0114 [1,1,0,0,0,0|1,0,0]=3 57 B12R1.19 CC1=CC=C(CC(=N)N)C=C1C D13642 [1,1,0,0,0,0|2,0,0]=4 58 B12R1.19 O=C(O)CC1=CC(Br)=C(O)C=C1 B10333 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.19 O=C(O)CC1=CC=C(O)C(Cl)=C1 C2432 [1,1,0,0,0,0|2,0,0]=4 60 B12R1.288 COC1=CC=C(CCN)C=C1O H9171 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.367 NC[C@H](O)C1=CC(O)=C(O)C=C1 N7803 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 N4951 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.367 NC[C@H](O)C1=CC=C(O)C(O)=C1 N4951 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.56 COC1=C(C)C=CC(C(=O)O)=C1 M4997 [1,1,0,0,0,0|2,0,0]=4 65 B12R1.56 COC1=C(O)C=CC(C(=N)N)=C1 H13824 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.56 COC1=C(O)C=CC(C(=O)O)=C1 H1465 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.56 COC1=C(O)C=CC([N+](=O)[O-])=C1 M0420 [1,1,0,0,0,0|2,0,0]=4 68 B12R1.56 COC1=CC(C(=O)O)=CC=C1F F5226 [1,1,0,0,0,0|2,0,0]=4 69 B12R1.56 COC1=CC(C(=O)O)=CC=C1N A11531 [1,1,0,0,0,0|2,0,0]=4 70 B12R1.56 COC1=CC(C(C)=O)=CC=C1O M4699 [1,1,0,0,0,0|0,0,1]=3 71 B12R1.56 COC1=CC(C(C)O)=CC=C1O H13091 [1,1,0,0,0,0|0,0,1]=3 72 B12R1.78 COC1=C(OC)C=C(C#N)C=C1 D1393 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.78 COC1=C(OC)C=C(C=O)C=C1 D0107 [1,1,0,0,0,0|1,0,0]=3 74 B12R1.78 COC1=C(OC)C=C(CN)C=C1 D5351 [1,1,0,0,0,0|1,0,0]=3 75 B12R1.78 COC1=C(OC)C=C(CO)C=C1 D7765 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.78 COC1=CC=C(OC)C(OC)=C1 T3380 [1,1,0,0,0,0|1,0,1]=4 77 B12R1.78 COC1=CC=C(SC)C=C1OC D8376 [1,1,0,0,0,0|1,0,1]=4 78 B12R1.78 [C-]#[N+]C1=CC=C(OC)C(OC)=C1 D7585 [1,1,0,0,0,0|1,0,1]=4 79 B14R1.41 COC1=C(O)C=CC(C(N)C(=O)O)=C1 A14544 [0,2,0,0,0,0|1,0,0]=3 80 B14R1.1864 COC1=C(OC)C=C(C(O)CN)C=C1 A14487 [0,2,0,0,0,0|1,0,1]=4 81 B14R1.1864 COC1=C(OC)C=C(C(O)CN)C=C1 A15484 [0,2,0,0,0,0|1,0,1]=4 82 B14R1.3651 COC1=C(OC)C=C(CC(=O)O)C=C1 D3338 [0,2,0,0,0,0|1,0,0]=3 83 B14R1.3651 COC1=C(OC)C=C(CC(C)=O)C=C1 D1300 [0,2,0,0,0,0|0,0,1]=3 84 B14R1.3651 COC1=CC=C(CC(=N)N)C=C1OC D13776 [0,2,0,0,0,0|1,0,0]=3 85 B14R1.3651 COC1=CC=C(CC(N)=S)C=C1OC D9507 [0,2,0,0,0,0|1,0,0]=3 86 B14R1.793 [C-]#[N+]CCC1=CC=C(OC)C(OC)=C1 D8649 [0,2,0,0,0,0|0,0,2]=4 87 B14R1.42 COC1=CC(\C=C\C(=O)O)=CC=C1O F0218 [0,2,0,0,0,0|0,0,1]=3 88 B14R1.3236 COC1=CC(CC#N)=CC(OC)=C1O D8733 [0,2,0,0,0,0|1,0,1]=4 89 B12R2.44 COC1=CC2=C(C=C1)CNC2 M19226 [1,0,0,1,0,0|1,0,1]=4 90 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2839 [1,0,0,1,0,0|1,0,0]=3 91 B12R2.44 COC1=CC2=C(C=CN2)C=C1 M2839 [1,0,0,1,0,0|1,0,0]=3 92 B12R2.44 COC1=CC=C2C=NNC2=C1 M12179 [1,0,0,1,0,0|2,0,0]=4 93 B12R2.44 COC1=CC=C2NC=CC2=C1 C0378 [1,0,0,1,0,0|1,0,1]=4 94 B12R2.44 COC1=CC=C2NC=NC2=C1 M17396 [1,0,0,1,0,0|2,0,0]=4 95 B12R2.44 COC1=CC=C2NCCC2=C1 M11881 [1,0,0,1,0,0|1,0,1]=4 96 B12R2.315 COC1=C2C=CNC2=CC=C1 M17761 [1,0,0,1,0,0|1,0,0]=3 97 B12R2.315 COC1=C2C=NNC2=CC=C1 M12177 [1,0,0,1,0,0|2,0,0]=4 98 B14R2.966 NCC(O)C1=CC2=C(C=C1)OCO2 A14636 [0,1,0,1,0,0|1,0,1]=4 99 B14R2.1008 N=C(N)CC1=CC=C2OCOC2=C1 B13135 [0,1,0,1,0,0|1,0,0]=3 100 B14R2.1008 O=C(Cl)CC1=CC2=C(C=C1)OCO2 B8971 [0,1,0,1,0,0|1,0,0]=3 101 B14R2.1008 O=C(O)CC1=CC=C2OCOC2=C1 B18356 [0,1,0,1,0,0|1,0,0]=3 102 B14R2.82 COC1=C(OC)C=C2NCCC2=C1 D11908 [0,1,0,1,0,0|1,0,1]=4 103 B14R2.82 COC1=C(OC)C=C2NCCC2=C1 D11908 [0,1,0,1,0,0|1,0,1]=4 104 B14R2.82 COC1=CC2=C(C=C1OC)NC=C2 D8092 [0,1,0,1,0,0|1,0,0]=3 105 B14R2.82 COC1=CC2=C(C=C1OC)NC=N2 D8126 [0,1,0,1,0,0|2,0,0]=4