0 B10R1.18 CN(C)CC1=CC=CN=C1 024691 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.18 O=C(O)C[N+]1=CC=CC=C1 181870 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 180386 [0,0,0,0,0,0|1,0,1]=2 3 B9R1.8 CCC[N+]1=CC=CC=C1 243010 [1,0,0,0,0,0|2,0,1]=4 4 B9R1.8 N#CC[N+]1=CC=CC=C1 181003 [1,0,0,0,0,0|2,0,1]=4 5 B9R1.8 O=C=NC1=CC=CN=C1 022077 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.20 C=C(C)CC1=CC=C(Cl)C=C1 200111 [0,1,0,0,0,0|2,0,0]=3 7 B11R1.20 O=C(Cl)CC1=CC=C(I)C=C1 402653 [0,1,0,0,0,0|1,0,0]=2 8 B11R1.36 CC(C(=O)Cl)C1=CC=CC=C1 014722 [0,1,0,0,0,0|1,0,0]=2 9 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 209966 [0,1,0,0,0,0|2,0,1]=4 10 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 209970 [0,1,0,0,0,0|2,0,1]=4 11 B11R1.40 CC[C@H](N)CC1=CC=CC=C1 048350 [0,1,0,0,0,0|2,0,1]=4 12 B11R1.86 CC(=O)NC1=[N+]([O-])C=CC=C1 180201 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.157 NC(=O)CC1=CC(F)=CC=C1 102220 [0,1,0,0,0,0|1,0,0]=2 14 B11R1.157 O=C(O)C[N+]1=CC(Cl)=CC=C1 182512 [0,1,0,0,0,0|1,0,0]=2 15 B9R1.13 O=C(O)CC1=CNC=N1 012254 [0,0,0,0,1,0|2,0,0]=3 16 B11R1.91 CC(C)SCC1=CC=CC=C1 095090 [0,0,0,0,0,1|2,0,1]=4 17 B11R1.91 CC(O)CCC1=CC=NC=C1 105817 [0,0,0,0,0,1|2,0,1]=4 18 B11R1.91 NC(=S)NCC1=CC=CN=C1 025062 [0,0,0,0,0,1|2,1,0]=4 19 B11R1.91 O=C(O)CNC1=CC=CC=[NH+]1 180553 [0,0,0,0,0,1|1,0,0]=2 20 B8R1.2 C=C[N+]1=CC=CC=C1 180799 [2,0,0,0,0,0|1,0,1]=4 21 B10R1.1 CC1=CN=C(CCO)C=C1 032578 [1,1,0,0,0,0|1,0,1]=4 22 B10R1.4 CNCC1=CC=CC=C1Cl 060304 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.4 [O-][N+]1=CC=CC=C1CCO 180119 [1,1,0,0,0,0|1,0,1]=4 24 B10R1.10 C=CCC1=CC(Br)=CC=C1 200068 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.10 CC1=CC=CC(CCBr)=C1 020899 [1,1,0,0,0,0|1,0,1]=4 26 B10R1.10 CNCC1=CC=CC(Cl)=C1 222557 [1,1,0,0,0,0|2,0,0]=4 27 B10R1.10 [C-]#[N+]CC1=CC=CC(Cl)=C1 021061 [1,1,0,0,0,0|2,0,0]=4 28 B10R1.15 C\C(=N\O)C1=CC=CC=C1 184803 [1,1,0,0,0,0|1,0,1]=4 29 B10R1.15 OC(CF)c1ccccc1 195755 [1,1,0,0,0,0|1,0,1]=4 30 B10R1.15 [C-]#[N+][C@@H](C)C1=CC=CC=C1 021085 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.17 O\N=C\CC1=CC=CC=C1 180100 [1,1,0,0,0,0|0,0,0]=2 32 B10R1.61 O=C(Cl)C1=CC=CN=C1F 066676 [0,1,0,0,1,0|2,0,0]=4 33 B10R1.113 CC(=O)C1=CC=C[N+](C)=C1 181309 [0,1,0,0,1,0|2,0,0]=4 34 B10R1.113 C[N+]1=CC(C(=O)O)=NC=C1 188697 [0,1,0,0,1,0|2,0,0]=4 35 B10R1.113 O=C(Cl)C1=CC=CC(Br)=N1 402790 [0,1,0,0,1,0|2,0,0]=4 36 B10R1.113 O=C(O)C1=CN=CC(Br)=N1 094451 [0,1,0,0,1,0|2,0,0]=4 37 B10R1.27 COC(=O)CC1=NC=CN1 046350 [0,1,0,0,1,0|2,0,0]=4 38 B10R1.27 NNC(=O)CC1=CC=CN1 014604 [0,1,0,0,1,0|2,0,0]=4 39 B12R1.21 NC(=O)\C=C\C1=CC=C(F)C=C1 102676 [0,1,0,0,0,1|1,0,1]=4 40 B12R1.21 NC1=CC=C(OCC(=O)O)C=C1 093009 [0,1,0,0,0,1|0,0,0]=2 41 B12R1.21 O=C(O)CSC1=CC=C(Cl)C=C1 086592 [0,1,0,0,0,1|0,0,0]=2 42 B12R1.27 CNC(=O)COC1=CC=CC=C1 105775 [0,1,0,0,0,1|1,0,0]=3 43 B12R1.43 C\C(=C/C1=CC=CC=C1)C(=O)Cl 014734 [0,1,0,0,0,1|1,0,1]=4 44 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O 328702 [0,1,0,0,0,1|1,0,0]=3 45 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O 099861 [0,1,0,0,0,1|0,0,0]=2 46 B12R1.226 CC1=CC=CC(SCC(=O)O)=C1 085104 [0,1,0,0,0,1|0,0,0]=2 47 B12R1.19 NC(=O)CC1=CC(F)=C(F)C=C1 102662 [0,2,0,0,0,0|1,0,0]=3 48 B12R1.49 CNC(=O)CC1=CC=C(F)C=C1 102257 [0,2,0,0,0,0|1,0,0]=3 49 B12R1.106 NS(=O)(=O)CC1=CC=C(Cl)C=C1 044461 [0,2,0,0,0,0|1,0,1]=4 50 B12R1.106 O=P(O)(O)CC1=CC=C(Cl)C=C1 180810 [0,2,0,0,0,0|1,0,0]=3 51 B12R1.233 NC(=O)CC1=C(F)C=C(Cl)C=C1 102743 [0,2,0,0,0,0|1,0,0]=3 52 B12R1.233 NC(=O)NC1=C(F)C=C(Br)C=C1 432428 [0,2,0,0,0,0|2,0,0]=4 53 B12R1.233 O=C(Cl)CC1=CC=C(Cl)C=C1F 070168 [0,2,0,0,0,0|1,0,0]=3 54 B12R1.34 CC(C1=CC=CC=C1)\C(N)=N\O 098047 [0,2,0,0,0,0|1,0,0]=3 55 B12R1.564 CC(C1=CC=CC=C1)P(=O)(O)O 180517 [0,2,0,0,0,0|1,0,0]=3 56 B12R1.32 CCOC(=O)NC1=NC=CC=C1 374623 [0,2,0,0,0,0|2,0,0]=4 57 B12R1.50 CC1=CC(C\C(N)=N\O)=CC=C1 098050 [0,2,0,0,0,0|1,0,0]=3 58 B12R1.50 CNC(=O)CC1=CC(Cl)=CC=C1 105123 [0,2,0,0,0,0|1,0,0]=3 59 B12R1.371 CNC(=O)CC1=C(Cl)C=CC=C1 505690 [0,2,0,0,0,0|1,0,0]=3 60 B12R1.127 CC(=O)NC1=C(C)C=CC(C)=C1 060363 [0,2,0,0,0,0|2,0,0]=4 61 B12R1.127 CC(=O)NC1=C(F)C=CC(F)=C1 034738 [0,2,0,0,0,0|2,0,0]=4 62 B12R1.127 O=C(Cl)CC1=CC(F)=CC=C1F 014716 [0,2,0,0,0,0|1,0,0]=3 63 B12R1.151 NS(=O)(=O)CC1=C(Br)C=CC=C1 034684 [0,2,0,0,0,0|1,0,1]=4 64 B12R1.438 COC1=CC=CC(NC(C)=O)=C1 060687 [0,2,0,0,0,0|2,0,0]=4 65 B12R2.32 CNC1=NC2=C(C=CC=C2)O1 050608 [0,1,0,1,0,0|2,0,0]=4 66 B12R1.252 CC(=O)NCCC1=CC=NC=C1 032575 [0,0,0,0,0,2|2,0,0]=4