0 B10R1.10 CCOC1=CC(Cl)=CC=N1 102384 [0,0,0,0,0,0|3,1,0]=4 1 B10R1.10 CCOC1=CC=CC(F)=N1 102383 [0,0,0,0,0,0|3,1,0]=4 2 B10R1.10 N#CCC1=CC=CC(F)=C1 102623 [0,0,0,0,0,0|0,1,2]=3 3 B10R1.10 NCCC1=CC(O)=CC=C1 17137 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.10 O\N=C\C1=CC=CC(Br)=C1 102460 [0,0,0,0,0,0|2,0,1]=3 5 B10R1.10 O\N=C\C1=CC=CC(Cl)=C1 102223 [0,0,0,0,0,0|2,1,1]=4 6 B10R1.10 O\N=C\C1=CC=CC(O)=C1 102535 [0,0,0,0,0,0|3,0,1]=4 7 B9R1.2 CNC1=CC=CC(F)=N1 101262 [1,0,0,0,0,0|2,1,0]=4 8 B9R1.2 COC1=CC=CC(F)=N1 102386 [1,0,0,0,0,0|2,1,0]=4 9 B9R1.2 NCC1=CC=CC(Cl)=C1 102537 [1,0,0,0,0,0|0,1,0]=2 10 B9R1.2 NCC1=CC=CC(N)=C1 102876 [1,0,0,0,0,0|1,0,0]=2 11 B9R1.2 NNC1=CC=NC(F)=C1 103017 [1,0,0,0,0,0|2,1,0]=4 12 B9R1.2 [NH3+]CC1=CC=CC(Cl)=C1 102479 [1,0,0,0,0,0|0,1,1]=3 13 B9R1.2 [NH3+]CC1=CC=CC(O)=C1 102221 [1,0,0,0,0,0|1,0,1]=3 14 B9R1.8 Br\C=C/C1=CC=CC=C1 102665 [1,0,0,0,0,0|1,0,2]=4 15 B9R1.8 COCC1=CC=CC=C1 102522 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 C\C=C/C1=CC=CC=C1 103008 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.8 F\C=C\C1=CC=CC=C1 102664 [1,0,0,0,0,0|1,0,2]=4 18 B9R1.8 I\C=C\C1=CC=CC=C1 103084 [1,0,0,0,0,0|1,0,2]=4 19 B9R1.8 NCCC1=CC=CC=C1 11614 [1,0,0,0,0,0|0,0,0]=1 20 B9R1.8 NCCC1=CC=CC=C1 12328 [1,0,0,0,0,0|0,0,0]=1 21 B9R1.8 [N-]=[N+]=NC1=CC=CC=C1 22277 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.8 [NH3+]CCC1=CC=CC=C1 12322 [1,0,0,0,0,0|0,0,1]=2 23 B11R1.24 COCOC1=CC(Cl)=CC=C1 102909 [0,1,0,0,0,0|2,1,0]=4 24 B11R1.24 COCOC1=CC(F)=CC=C1 102899 [0,1,0,0,0,0|2,1,0]=4 25 B11R1.157 O=C(O)CC1=CC(Cl)=CC=C1 102173 [0,1,0,0,0,0|1,1,1]=4 26 B11R1.157 O=C(O)CC1=CC=CC(Br)=C1 102158 [0,1,0,0,0,0|1,0,1]=3 27 B11R1.157 O=C(O)CC1=CC=CC(F)=C1 102175 [0,1,0,0,0,0|1,1,1]=4 28 B11R1.189 COC1=CC=CC(CCO)=C1 21814 [0,1,0,0,0,0|2,0,0]=3 29 B9R0.2 C=C(C)\C=C\C=C\CCC 102643 [0,0,1,0,0,0|2,0,0]=3 30 B11R2.36 BrC1=CC=C2CC=CC2=C1 19937 [0,0,0,1,0,0|1,0,2]=4 31 B11R2.363 CC1=CC=C2C(=O)CC2=C1 16221 [0,0,0,1,0,0|2,0,1]=4 32 B11R2.468 O=C1CC2=CC=CC(Br)=C12 16263 [0,0,0,1,0,0|1,0,1]=3 33 B11R2.468 O=C1CC2=CC=CC(Cl)=C12 16262 [0,0,0,1,0,0|1,1,1]=4 34 B11R2.468 O=C1CC2=CC=CC(F)=C12 16261 [0,0,0,1,0,0|1,1,1]=4 35 B11R2.468 OC1CC2=CC=CC(F)=C21 16158 [0,0,0,1,0,0|1,1,0]=3 36 B8R0.4 C=C\C=C\C=C\CCC 102625 [1,0,1,0,0,0|1,0,0]=3 37 B8R1.2 NCC1=NC=CC=C1 21601 [2,0,0,0,0,0|1,0,0]=3 38 B8R1.4 BrC1=CC(I)=CN=C1 101632 [2,0,0,0,0,0|2,0,0]=4 39 B8R1.4 CC1=CC=CC(I)=N1 100813 [2,0,0,0,0,0|1,1,0]=4 40 B8R1.4 CC1=CC=C[N+]([O-])=C1 4675 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.4 NC1=CC(Cl)=CC=N1 101260 [2,0,0,0,0,0|1,1,0]=4 42 B8R1.4 NC1=CC(F)=CC=C1 20479 [2,0,0,0,0,0|0,1,0]=3 43 B8R1.4 NC1=CC=CC(N)=C1 21487 [2,0,0,0,0,0|1,0,0]=3 44 B8R1.4 NC1=NC(F)=CC=C1 101259 [2,0,0,0,0,0|1,1,0]=4 45 B10R1.30 OCC1=CC(F)=CC=C1F 102036 [1,1,0,0,0,0|1,1,0]=4 46 B10R1.113 CN(C)C1=CC(F)=CC=C1 102890 [1,1,0,0,0,0|1,1,0]=4 47 B10R1.113 NC(=O)C1=CC=CC(F)=C1 102469 [1,1,0,0,0,0|0,1,1]=4 48 B10R1.176 COC1=CC=C(Br)C(C)=C1 16780 [1,1,0,0,0,0|2,0,0]=4 49 B10R1.176 COC1=CC=C(Cl)C(C)=C1 16021 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.176 NCC1=CC(O)=C(O)C=C1 20755 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.1 CCOC1=CC=C(Br)C=C1 100870 [1,1,0,0,0,0|2,0,0]=4 52 B10R1.1 NCCC1=CC=C(O)C=C1 15431 [1,1,0,0,0,0|0,0,0]=2 53 B10R1.1 NCCC1=CC=C(O)C=C1 17135 [1,1,0,0,0,0|0,0,0]=2 54 B10R1.15 CC(C#N)C1=CC=CC=C1 14750 [1,1,0,0,0,0|0,0,2]=4 55 B10R1.15 NCC(O)C1=CC=CC=C1 12321 [1,1,0,0,0,0|0,0,0]=2 56 B10R1.15 O=C(CBr)C1=CC=CC=C1 18427 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.15 OCC(O)C1=CC=CC=C1 731 [1,1,0,0,0,0|1,0,0]=3 58 B10R1.17 CC\C=C\C1=CC=CC=C1 102672 [1,1,0,0,0,0|1,0,1]=4 59 B10R1.17 N#C[Se]CC1=CC=CC=C1 20016 [1,1,0,0,0,0|0,0,2]=4 60 B10R1.18 CC(=O)CC1=CC=CC=C1 12126 [1,1,0,0,0,0|1,0,1]=4 61 B10R1.18 N=C(N)CC1=CC=CC=C1 745 [1,1,0,0,0,0|0,0,1]=3 62 B10R1.18 O=C(O)CC1=CC=CC=C1 12288 [1,1,0,0,0,0|1,0,1]=4 63 B10R1.18 O=C(O)CC1=CC=CC=C1 15735 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.354 CCC(O)C1=CC(C)=CC=C1O 13683 [0,2,0,0,0,0|2,0,0]=4 65 B12R1.28 COCOCC1=CC(F)=CC=C1 102892 [0,2,0,0,0,0|1,1,0]=4 66 B12R1.278 NCCC1=CC=CC(CCN)=C1 11359 [0,2,0,0,0,0|1,0,0]=3 67 B12R1.278 NCCC1=CC=CC(CCO)=C1 11623 [0,2,0,0,0,0|1,0,0]=3 68 B12R1.288 COC1=C(O)C=C(CCN)C=C1 15339 [0,2,0,0,0,0|1,0,0]=3 69 B12R1.288 COC1=C(O)C=C(CCN)C=C1 15348 [0,2,0,0,0,0|1,0,0]=3 70 B12R1.288 COC1=C(O)C=C(CC[NH3+])C=C1 15347 [0,2,0,0,0,0|1,0,1]=4 71 B10R2.320 CC1CC2=CC=CC=C21 16579 [1,0,0,1,0,0|1,0,0]=3 72 B10R2.320 ClC1CC2=CC=CC=C21 16435 [1,0,0,1,0,0|1,0,0]=3 73 B10R2.320 O=C1CC2=CC=CC=C12 16218 [1,0,0,1,0,0|1,0,1]=4 74 B10R2.320 OC1CC2=CC=CC=C21 16154 [1,0,0,1,0,0|1,0,0]=3 75 B10R2.320 [NH3+]C1CC2=CC=CC=C21 16601 [1,0,0,1,0,0|0,0,1]=3 76 B12R2.132 OC1CCC2=CC=C(Br)C=C21 19214 [0,1,0,1,0,0|1,0,0]=3 77 B12R2.24 OC1=CC=C2CCNCC2=C1 15601 [0,1,0,1,0,0|2,0,0]=4 78 B12R2.24 OC1=CC=C2CNCCC2=C1 15599 [0,1,0,1,0,0|1,0,0]=3 79 B12R2.3028 CC1=CC(C)=C2C(=C1)CC2Cl 16583 [0,1,0,1,0,0|2,0,0]=4 80 B12R2.1095 CC1(O)CC2=CC=CC(Br)=C21 16489 [0,1,0,1,0,0|1,0,0]=3 81 B12R2.1095 CC1(O)CC2=CC=CC(Cl)=C21 16427 [0,1,0,1,0,0|1,1,0]=4 82 B12R2.1095 CC1(O)CC2=CC=CC(F)=C21 16428 [0,1,0,1,0,0|1,1,0]=4 83 B12R2.2107 COC1=CC=C2C(=C1)CC2O 16156 [0,1,0,1,0,0|2,0,0]=4