0 B12R2.612 CC1=CC2=C(C=C1)C(=O)OC2 BB32-2730 [0,0,0,0,0,0|2,0,1]=3 1 B12R2.612 CC1=NNC2=C1C=CC(F)=C2 BB31-3058 [0,0,0,0,0,0|4,0,0]=4 2 B12R2.612 CN1CCC2=C1C=CC(N)=C2 BB31-1016 [0,0,0,0,0,0|4,0,0]=4 3 B12R2.612 NC1=CC2=C(C=C1)C(O)=NN2 BB32-2957 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.612 NC1CCC2=C1C=CC(Br)=C2 BB31-9391 [0,0,0,0,0,0|3,1,0]=4 5 B12R2.612 NC1CCC2=C1C=CC(Cl)=C2 BB31-7488 [0,0,0,0,0,0|3,1,0]=4 6 B12R2.612 NC1CCC2=C1C=CC(F)=C2 BB31-2856 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.612 N[C@@H]1CCC2=C1C=CC(Br)=C2 BB31-2788 [0,0,0,0,0,0|3,1,0]=4 8 B12R2.612 N[C@H]1CCC2=C1C=CC(Br)=C2 BB31-7436 [0,0,0,0,0,0|3,1,0]=4 9 B12R2.612 O=C1COC2=C1C=CC(F)=C2 BB31-6050 [0,0,0,0,0,0|3,0,1]=4 10 B12R2.612 O=C1NNC2=C1C=CC(F)=C2 BB31-6674 [0,0,0,0,0,0|3,0,1]=4 11 B12R2.612 O=C1NOC2=C1C=CC(F)=C2 BB31-6322 [0,0,0,0,0,0|3,0,1]=4 12 B11R2.1 OC1CCC2=C1C=CC=N2 BB31-8742 [1,0,0,0,0,0|3,0,0]=4 13 B11R2.1 O[C@@H]1CCC2=C1C=CC=C2 BB31-5413 [1,0,0,0,0,0|2,0,0]=3 14 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 BB31-4659 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.36 BrC1=CC2=C(C=C1)CCC2 BB32-3362 [1,0,0,0,0,0|2,1,0]=4 16 B11R2.36 BrC1=CC2=C(C=C1)COC2 BB32-1135 [1,0,0,0,0,0|1,1,0]=3 17 B11R2.36 BrC1=CC2=C(C=CC2)C=C1 BB31-4988 [1,0,0,0,0,0|2,1,0]=4 18 B11R2.36 ClC1=CC2=CON=C2C=C1 BB32-2796 [1,0,0,0,0,0|1,1,1]=4 19 B13R2.2130 COC1=CC2=C(C=C1)C(=O)OC2 BB32-2760 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.11642 NC1CCC2=CC(F)=CC(F)=C21 BB31-0927 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.22 CC[C@@H](N)C1=CC=C(F)C=C1 BB31-0492 [0,0,1,0,0,0|3,0,0]=4 22 B11R1.22 CC[C@H](N)C1=CC=C(F)C=C1 BB31-0570 [0,0,1,0,0,0|3,0,0]=4 23 B11R1.22 COC(N)=C1C=CC(=O)C=C1 BB32-3012 [0,0,1,0,0,0|3,0,0]=4 24 B11R1.22 COS(=O)C1=CC=C(C)C=C1 BB32-3711 [0,0,1,0,0,0|2,0,1]=4 25 B11R1.24 N#CCCC1=CC=CC(F)=C1 BB32-0937 [0,0,1,0,0,0|3,0,0]=4 26 B11R1.24 OCCCC1=CC=CC(Br)=C1 BB32-3048 [0,0,1,0,0,0|2,1,0]=4 27 B11R1.24 OCCCC1=CC=CC(Cl)=C1 BB31-4195 [0,0,1,0,0,0|2,1,0]=4 28 B11R1.24 OCCCC1=CC=CC(F)=C1 BB31-2996 [0,0,1,0,0,0|2,0,0]=3 29 B11R1.37 CCC1=C(CO)C=C(Br)C=C1 BB31-5271 [0,0,1,0,0,0|2,1,0]=4 30 B11R1.37 COC1=NC=C(F)C=C1CO BB31-8538 [0,0,1,0,0,0|3,0,0]=4 31 B11R1.37 N#CC1=C(CCl)C=C(F)C=C1 BB31-1521 [0,0,1,0,0,0|3,0,0]=4 32 B11R1.37 OCC1=C(CO)C=C(Br)C=C1 BB31-8250 [0,0,1,0,0,0|1,1,0]=3 33 B11R1.37 OCC1=C(CO)C=C(Cl)C=C1 BB31-8428 [0,0,1,0,0,0|1,1,0]=3 34 B11R1.166 CC1=C(B(O)O)C=CC(Br)=N1 BB31-5393 [0,0,1,0,0,0|1,1,0]=3 35 B11R1.166 CC1=CC(Br)=NC=C1B(O)O BB31-6040 [0,0,1,0,0,0|1,1,0]=3 36 B11R1.166 CC1=CC(O)=C(B(O)O)C=C1 BB31-4356 [0,0,1,0,0,0|2,0,0]=3 37 B11R1.166 CC1=CC=C(B(O)O)C(F)=N1 BB31-7506 [0,0,1,0,0,0|3,0,0]=4 38 B11R1.166 OB(O)C1=C(Cl)C=C(Br)C=C1 BB31-7976 [0,0,1,0,0,0|1,1,0]=3 39 B11R1.166 OB(O)C1=C(Cl)C=C(O)C=C1 BB31-6894 [0,0,1,0,0,0|2,0,0]=3 40 B11R1.166 OB(O)C1=C(F)C=C(O)C=C1 BB31-8057 [0,0,1,0,0,0|2,0,0]=3 41 B11R1.166 OB(O)C1=CN=C(Cl)C=C1Cl BB31-8922 [0,0,1,0,0,0|2,1,0]=4 42 B13R2.3683 OC1=CC=C2C=C(F)C=CC2=C1 BB31-1684 [0,0,0,0,0,1|2,0,1]=4 43 B13R2.5179 O=C1COCC2=C1C=CC(Br)=C2 BB31-3377 [0,0,0,0,0,1|1,1,1]=4 44 B13R2.5179 OC1=C2C=CC(F)=CC2=CC=C1 BB31-8653 [0,0,0,0,0,1|2,0,1]=4 45 B10R1.1 CSCC1=CC=C(F)C=C1 BB32-3225 [1,0,1,0,0,0|1,1,0]=4 46 B10R1.13 NC1=CC=C(B(O)O)C=C1 BB31-8502 [1,0,1,0,0,0|1,0,0]=3 47 B10R1.15 COC(=N)C1=CC=CC=C1 BB31-6235 [1,0,1,0,0,0|2,0,0]=4 48 B10R1.10 CCCC1=CC=CC(F)=C1 BB31-4486 [1,0,1,0,0,0|2,0,0]=4 49 B10R1.10 NOCC1=CC=CC(Cl)=C1 BB31-4564 [1,0,1,0,0,0|1,1,0]=4 50 B10R1.10 NOCC1=CC=CC(F)=C1 BB32-2410 [1,0,1,0,0,0|1,0,0]=3 51 B10R1.20 C#CC1=C(CO)C=CC=C1 BB31-8444 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.20 OCC1=CC=CN=C1CO BB32-1784 [1,0,1,0,0,0|2,0,0]=4 53 B10R1.30 CC1=CC(CO)=C(Br)C=C1 BB32-3813 [1,0,1,0,0,0|2,0,0]=4 54 B10R1.30 CCC1=C(O)C=CC(Br)=C1 BB31-3966 [1,0,1,0,0,0|1,1,0]=4 55 B10R1.30 OCC1=C(O)C=CC(I)=C1 BB31-9654 [1,0,1,0,0,0|0,1,0]=3 56 B10R1.61 NC1=C(B(O)O)C=CC=N1 BB31-8870 [1,0,1,0,0,0|2,0,0]=4 57 B12R1.226 OB(O)\C=C\C1=CC=CC(F)=C1 BB31-6629 [0,1,1,0,0,0|1,0,1]=4 58 B12R1.57 NCC1=C(B(O)O)C=CC(F)=C1 BB31-6772 [0,1,1,0,0,0|1,0,0]=3 59 B12R1.57 O=[N+]([O-])C1=C(CO)C=C(F)C=C1 BB31-4494 [0,1,1,0,0,0|1,0,1]=4 60 B12R1.78 COC1=CC(CO)=C(CO)C=C1 BB32-1934 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.448 CC1=CC(CO)=C(CO)C=C1C BB31-5879 [0,1,1,0,0,0|2,0,0]=4 62 B12R1.232 CC1=C(Br)C=C(F)C(B(O)O)=C1 BB31-7081 [0,1,1,0,0,0|1,1,0]=4 63 B12R1.232 CC1=C(Cl)C=C(B(O)O)C(F)=C1 BB31-8453 [0,1,1,0,0,0|2,0,0]=4 64 B12R1.232 NC1=C(Cl)C=C(Cl)C(B(O)O)=C1 BB31-7334 [0,1,1,0,0,0|1,1,0]=4 65 B12R1.232 OB(O)C1=CC(Cl)=C(Cl)C=C1Cl BB31-8174 [0,1,1,0,0,0|1,1,0]=4 66 B12R1.232 OB(O)C1=CC(F)=C(F)C=C1O BB32-0001 [0,1,1,0,0,0|1,0,0]=3 67 B12R1.452 CC1=C(B(O)O)C=CC(CO)=C1 BB31-3317 [0,1,1,0,0,0|1,0,0]=3 68 B12R1.452 COC1=NC(C)=C(B(O)O)C=C1 BB32-2204 [0,1,1,0,0,0|2,0,0]=4 69 B12R1.452 N#CC1=CC(F)=C(B(O)O)C=C1 BB31-0601 [0,1,1,0,0,0|2,0,0]=4 70 B12R1.893 OB(O)C1=C(F)C(F)=C(Cl)C=C1 BB31-9263 [0,1,1,0,0,0|1,1,0]=4 71 B12R1.893 OB(O)C1=CC=C(F)C(Cl)=C1F BB31-1691 [0,1,1,0,0,0|1,0,0]=3 72 B12R1.1000 CC1=CC(Cl)=CC(C)=C1B(O)O BB31-0339 [0,1,1,0,0,0|0,1,0]=3 73 B12R1.1000 CC1=CC(F)=CC(C)=C1C(=O)O BB31-3314 [0,1,1,0,0,0|1,0,1]=4 74 B12R1.1000 OB(O)C1=C(Br)C=C(F)C=C1F BB31-1888 [0,1,1,0,0,0|1,0,0]=3 75 B12R1.1000 OB(O)C1=C(F)C=C(Cl)C=C1F BB31-7289 [0,1,1,0,0,0|1,1,0]=4 76 B12R2.132 NC1=CC2=C(C=C1)COB2O BB31-0507 [1,1,0,0,0,0|0,0,0]=2 77 B12R2.132 NC1=CC2=C(C=C1)COB2O BB31-0508 [1,1,0,0,0,0|0,0,0]=2 78 B12R2.196 CC1=CC=CC2=C1CCC2O BB32-3812 [1,1,0,0,0,0|2,0,0]=4 79 B12R2.203 O=C1OCC2=CC=CC(F)=C12 BB32-1211 [1,1,0,0,0,0|1,0,1]=4 80 B12R2.606 CC1CC2=C(C=CC(F)=C2)N1 BB31-6748 [1,1,0,0,0,0|2,0,0]=4 81 B14R2.5719 O=C(O)C1=CC2=C(C=C1)B(O)OC2 BB31-3486 [0,2,0,0,0,0|1,0,0]=3