0 B10R1.30 CCC1=C(N)C=CC(I)=C1 4091033 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.30 CCC1=CC(Cl)=CC=C1N 4091185 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [1,0,0,0,0,0|3,0,0]=4 3 B9R1.2 CC1=CC(NN)=NC=C1 4032386 [1,0,0,0,0,0|3,0,0]=4 4 B9R1.2 CC1=CC=CC(NN)=N1 4089071 [1,0,0,0,0,0|3,0,0]=4 5 B9R1.2 CC1=NC=CC(CCl)=C1 4089416 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.2 CC1=NC=CC(NN)=C1 4088178 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.15 CCC1=CC=CN=C1Cl 4037222 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.15 COC1=CN=CN=C1N 4065839 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.69 CC1=CC(=O)C(O)=CO1 4045348 [1,0,0,0,0,0|1,0,1]=3 11 B9R1.69 CC1=CN=C(N)C(C)=C1 4090966 [1,0,0,0,0,0|2,0,0]=3 12 B11R1.37 COC1=C(C=O)C=C(C)N=C1 4067969 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.167 CC1=CC=C(N)C=C1C(C)C 4022447 [0,1,0,0,0,0|3,0,0]=4 14 B11R1.167 CC1=CC=C(N)C=C1C(C)C 4088194 [0,1,0,0,0,0|3,0,0]=4 15 B11R2.36 BrC1=CC2=C(C=C1)OC=N2 4002139 [0,0,0,1,0,0|2,0,1]=4 16 B11R2.36 NC1=CC2=C(C=C1)NCC2 3020471 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.3 CC1=CN=C(O)N=C1 4090925 [2,0,0,0,0,0|2,0,0]=4 18 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [1,1,0,0,0,0|2,0,0]=4 19 B10R1.10 CNCC1=CC(C)=NC=C1 4019510 [1,1,0,0,0,0|2,0,0]=4 20 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [1,1,0,0,0,0|2,0,0]=4 21 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [1,1,0,0,0,0|2,0,0]=4 22 B10R1.113 CC1=CC(C(C)N)=NC=C1 4088633 [1,1,0,0,0,0|2,0,0]=4 23 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [1,1,0,0,0,0|1,0,0]=3 24 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [1,1,0,0,0,0|1,0,0]=3 25 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [1,1,0,0,0,0|1,0,0]=3 26 B10R1.172 COC1=CC(CCl)=NC=C1 4087877 [1,1,0,0,0,0|1,0,0]=3 27 B10R1.172 COC1=CC(CN)=NC=C1 4016645 [1,1,0,0,0,0|1,0,0]=3 28 B10R1.172 COC1=CC(CN)=NC=C1 4091226 [1,1,0,0,0,0|1,0,0]=3 29 B10R1.172 CSC1=CC=CC(CN)=C1 4089405 [1,1,0,0,0,0|0,1,0]=3 30 B10R1.172 N#CC1=CC(CN)=CC=C1 4088569 [1,1,0,0,0,0|2,0,0]=4 31 B10R1.172 NCC1=CC=CC(CO)=C1 4088760 [1,1,0,0,0,0|2,0,0]=4 32 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|2,0,0]=4 33 B10R1.20 COC1=CC=CN=C1CCl 4089597 [1,1,0,0,0,0|2,0,0]=4 34 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [1,1,0,0,0,0|2,0,0]=4 35 B10R1.61 CC(N)C1=C(Cl)C=CC=C1 4090561 [1,1,0,0,0,0|2,0,0]=4 36 B10R1.61 CC(N)C1=C(O)C=CC=C1 4088363 [1,1,0,0,0,0|1,0,0]=3 37 B10R1.245 COC1=C(N)C=CN=C1Cl 4049281 [1,1,0,0,0,0|2,0,0]=4 38 B10R1.245 COC1=C(N)C=CN=C1Cl 4089025 [1,1,0,0,0,0|2,0,0]=4 39 B10R1.22 CC1=CC(N)=CC(C)=C1O 4089353 [1,1,0,0,0,0|1,0,0]=3 40 B10R1.119 CC1=C(Cl)C(N)=CC=C1Cl 4089648 [1,1,0,0,0,0|2,0,0]=4 41 B10R1.119 CC1=CC=C(N)C(N)=C1C 3002687 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.234 COC1=NC(C)=CC(C)=C1CN 4087884 [0,2,0,0,0,0|2,0,0]=4 43 B12R1.654 COC1=C(C)C(CN)=NC=C1C 4088887 [0,2,0,0,0,0|2,0,0]=4 44 B12R1.354 COC(=O)C1=C(Cl)C=CC(N)=C1 4088127 [0,2,0,0,0,0|2,0,0]=4 45 B12R1.374 CC1=CC(OCCN)=C(Cl)C=C1 3002010 [0,2,0,0,0,0|1,0,0]=3 46 B12R1.374 CC1=CC=C(Cl)C(OCCN)=C1 4015041 [0,2,0,0,0,0|1,0,0]=3 47 B12R1.449 COC1=CC(C=O)=C(Br)C=C1O 3004167 [0,2,0,0,0,0|0,0,1]=3 48 B12R1.449 COC1=CC(C=O)=C(Cl)C=C1O 4004195 [0,2,0,0,0,0|0,0,1]=3 49 B12R2.606 CC1=CC2=C(C=CC(N)=C2)O1 4088493 [0,1,0,1,0,0|2,0,0]=4 50 B12R2.606 CC1CC2=CC(N)=CC=C2O1 4090689 [0,1,0,1,0,0|2,0,0]=4 51 B12R2.44 NNC1=CC=C2OCOC2=C1 4091107 [0,1,0,1,0,0|1,0,0]=3