0 B10R1.10 CC1=NC(CCBr)=CC=C1 4088742 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.10 CNCC1=CC(C)=NC=C1 4019510 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.10 NCCC1=CC=CC(=O)N1 4063034 [0,0,0,0,0,0|1,0,1]=2 3 B10R1.10 NNCC1=CC=CC(Cl)=C1 4088727 [0,0,0,0,0,0|2,0,0]=2 4 B9R1.2 CC1=CC(CN)=NC=C1 4088971 [1,0,0,0,0,0|2,0,0]=3 5 B9R1.2 CC1=CC(NN)=NC=C1 4032386 [1,0,0,0,0,0|3,0,0]=4 6 B9R1.2 CC1=CC=CC(NN)=N1 4089071 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.2 CC1=NC=CC(CCl)=C1 4089416 [1,0,0,0,0,0|3,0,0]=4 8 B9R1.2 CC1=NC=CC(NN)=C1 4088178 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.2 CCC1=CC=NC(O)=N1 4043209 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.2 CNC1=CC(Cl)=CC=C1 3020438 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.2 NCC1=CC(Cl)=NC=C1 4088253 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.2 NCC1=CC(O)=NC=N1 4089851 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 NCC1=CC(O)=NC=N1 4110390 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.2 NCC1=NC=CC(O)=C1 4014665 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.2 OCC1=NC=CC(Cl)=C1 4088987 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.8 CNCC1=CC=NC=C1 3002392 [1,0,0,0,0,0|3,0,0]=4 17 B9R1.8 NCCC1=NC=CC=C1 3020070 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.24 CC1=CC(OCCN)=CC=C1 3001621 [0,1,0,0,0,0|1,0,0]=2 19 B11R1.24 NCCCC1=CC(F)=CC=C1 4089959 [0,1,0,0,0,0|1,0,0]=2 20 B11R1.24 NCCOC1=CC(Cl)=CC=C1 3002038 [0,1,0,0,0,0|1,0,0]=2 21 B11R1.34 CC1=CC(C)=NC(CCN)=N1 4089424 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.34 CC1=NC(CCN)=CC(O)=N1 4090402 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.34 NCCC1=NC(O)=CC(N)=N1 4090661 [0,1,0,0,0,0|2,0,0]=3 24 B11R1.34 NCCC1=NC(O)=CC(O)=N1 4088115 [0,1,0,0,0,0|2,0,0]=3 25 B11R1.157 N=C(N)CC1=CC(Cl)=CC=C1 4027438 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.189 CNCC1=NC=CC(OC)=C1 4016647 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.189 COC1=CC(CNN)=CC=C1 4089831 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.192 CCOC1=CC=C(N)C(F)=C1 4088072 [0,1,0,0,0,0|3,0,0]=4 29 B11R2.36 ClC1=CC2=C(C=C1)NC=C2 3020104 [0,0,0,1,0,0|1,0,2]=4 30 B11R2.36 NC1=CC2=C(C=C1)NCC2 3020471 [0,0,0,1,0,0|1,0,0]=2 31 B11R2.36 OC1=CC=C2NC=NC2=C1 4088281 [0,0,0,1,0,0|1,0,1]=3 32 B11R2.106 ClC1=CC=CC2=C1NN=N2 4035307 [0,0,0,1,0,0|3,0,0]=4 33 B11R2.106 OC1=C2ON=CC2=CC=C1 4041159 [0,0,0,1,0,0|2,0,1]=4 34 B9R1.7 CC1=CC=C(CCN)S1 4004130 [0,0,0,0,1,0|2,0,0]=3 35 B9R1.7 CC1=CN(CCN)N=C1 4089607 [0,0,0,0,1,0|3,0,0]=4 36 B9R1.7 CC1=NN(CCN)C=C1 4016693 [0,0,0,0,1,0|3,0,0]=4 37 B9R1.7 NCCC1=CSC(N)=N1 4088132 [0,0,0,0,1,0|3,0,0]=4 38 B9R1.33 CC1=C(CCN)SC=C1 4090401 [0,0,0,0,1,0|2,0,0]=3 39 B8R1.2 BrCC1=CN=CC=C1 4090400 [2,0,0,0,0,0|2,0,0]=4 40 B8R1.2 NCC1=NC=NC=C1 4102725 [2,0,0,0,0,0|2,0,0]=4 41 B8R1.2 NNC1=CC=CN=C1 4090882 [2,0,0,0,0,0|2,0,0]=4 42 B8R1.2 NNC1=CC=NC=C1 4089280 [2,0,0,0,0,0|2,0,0]=4 43 B10R1.2 CC1=C(Cl)C=CC=C1NN 4088656 [1,1,0,0,0,0|2,0,0]=4 44 B10R1.8 CC1=CC(CN)=CC(C)=N1 4021497 [1,1,0,0,0,0|2,0,0]=4 45 B10R1.8 CC1=CC(O)=NC(CN)=N1 4089299 [1,1,0,0,0,0|2,0,0]=4 46 B10R1.8 CC1=NC(CN)=CC(O)=N1 4091101 [1,1,0,0,0,0|2,0,0]=4 47 B10R1.30 CCC1=C(N)C=CC(I)=C1 4091033 [1,1,0,0,0,0|1,0,0]=3 48 B10R1.30 CCC1=CC(Cl)=CC=C1N 4091185 [1,1,0,0,0,0|1,0,0]=3 49 B10R1.113 CC(C)C1=CC=NC(O)=N1 4088319 [1,1,0,0,0,0|2,0,0]=4 50 B10R1.113 CC(N)C1=CC(Cl)=CC=C1 3002152 [1,1,0,0,0,0|1,0,0]=3 51 B10R1.113 CC(N)C1=CC=CC(Br)=C1 4045598 [1,1,0,0,0,0|1,0,0]=3 52 B10R1.113 CC1=CC(C(C)N)=NC=C1 4088633 [1,1,0,0,0,0|2,0,0]=4 53 B10R1.113 CC1=CC=CC(C(C)N)=C1 3001756 [1,1,0,0,0,0|1,0,0]=3 54 B10R1.113 CC1=CC=CC([C@@H](C)N)=C1 4095694 [1,1,0,0,0,0|1,0,0]=3 55 B10R1.113 CC1=CC=CC([C@H](C)N)=C1 4099223 [1,1,0,0,0,0|1,0,0]=3 56 B10R1.113 N=C(N)C1=CC(F)=CC=C1 4088368 [1,1,0,0,0,0|1,0,1]=4 57 B10R1.172 COC1=CC(CCl)=NC=C1 4087877 [1,1,0,0,0,0|2,0,0]=4 58 B10R1.172 COC1=CC(CN)=NC=C1 4016645 [1,1,0,0,0,0|1,0,0]=3 59 B10R1.172 COC1=CC(CN)=NC=C1 4091226 [1,1,0,0,0,0|1,0,0]=3 60 B10R1.172 CSC1=CC=CC(CN)=C1 4089405 [1,1,0,0,0,0|0,1,0]=3 61 B10R1.172 N#CC1=CC(CN)=CC=C1 4088569 [1,1,0,0,0,0|1,0,0]=3 62 B10R1.172 NCC1=CC=CC(CO)=C1 4088760 [1,1,0,0,0,0|0,0,0]=2 63 B10R1.1 CNCC1=CC=C(C)C=C1 4089741 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.1 NNCC1=CC=C(Cl)C=C1 4088846 [1,1,0,0,0,0|1,0,0]=3 65 B10R1.1 NNCC1=CC=C(F)C=C1 4088591 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.4 CC1=C(CNN)C=CC=C1 4089820 [1,1,0,0,0,0|1,0,0]=3 67 B10R1.4 CC1=CC=CN=C1CCN 4002940 [1,1,0,0,0,0|1,0,0]=3 68 B10R1.4 CNCC1=CC=CC=C1C 4090872 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.4 NNCC1=C(Cl)C=CC=C1 4090851 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.15 CCC(N)C1=NC=CC=C1 4088626 [1,1,0,0,0,0|2,0,0]=4 71 B10R1.15 NC[C@@H](O)C1=CC=CN=C1 4107744 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.15 NC[C@H](O)C1=CN=CC=C1 4092063 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.15 O[C@@H](CBr)C1=CC=CC=C1 4053875 [1,1,0,0,0,0|1,0,0]=3 74 B10R1.15 O[C@H](CBr)C1=CC=CC=C1 4068902 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.17 BrCCCC1=CC=CN=C1 4090397 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.17 CCNCC1=CC=CN=C1 9070410 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.17 NCCSC1=CC=CC=C1 4002675 [1,1,0,0,0,0|0,0,0]=2 78 B10R1.17 NCCSC1=NC=CC=C1 4090640 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.17 NC\C=C\C1=CC=CC=C1 4090564 [1,1,0,0,0,0|0,0,1]=3 80 B10R1.18 CC(N)CC1=CC=CC=N1 4000001 [1,1,0,0,0,0|1,0,0]=3 81 B10R1.18 CC(N)CC1=CC=NC=C1 4002036 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.18 N=C(N)CC1=CC=CN=C1 4089686 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.18 N=C(N)CC1=NC=CC=C1 4088302 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.94 CC1=C(C)C(CCN)=CS1 4028596 [0,1,0,0,1,0|2,0,0]=4 85 B12R1.225 NC(C(=O)O)C1=CC=CC(O)=C1 4090636 [0,2,0,0,0,0|1,0,1]=4 86 B12R1.354 CCC(N)C1=C(Cl)C=CC(Cl)=C1 3001635 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.28 COCCOC1=CC(N)=CC=C1 4090460 [0,2,0,0,0,0|2,0,0]=4 88 B12R1.100 CC1=CC(C)=CC(OCCN)=C1 3003088 [0,2,0,0,0,0|1,0,0]=3 89 B12R1.100 CC1=CC(C)=CC(OCCN)=C1 4015011 [0,2,0,0,0,0|1,0,0]=3 90 B12R1.374 CC1=CC(OCCN)=C(Cl)C=C1 3002010 [0,2,0,0,0,0|1,0,0]=3 91 B12R1.374 CC1=CC=C(Cl)C(OCCN)=C1 4015041 [0,2,0,0,0,0|1,0,0]=3 92 B12R1.385 NCCOC1=CC(Cl)=C(Cl)C=C1 3005342 [0,2,0,0,0,0|1,0,0]=3 93 B12R1.119 NC1=CC=CC(CS(N)(=O)=O)=C1 4043852 [0,2,0,0,0,0|2,0,0]=4 94 B12R1.279 CCCC1=NC=CC(C(=O)O)=C1 4041134 [0,2,0,0,0,0|2,0,0]=4 95 B10R1.25 NCC1=C(O)C=C(O)C=C1 4089662 [0,0,1,1,0,0|1,0,1]=4 96 B12R2.1081 ClC1=C2CCNCC2=CC=C1 4090148 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.1282 NC1(C2=CC=CC(Cl)=C2)CC1 4088725 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.24 BrC1=CC=C2CCNCC2=C1 4002740 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.606 CC1=NC2=CC(O)=CC=C2N1 4088891 [0,1,0,1,0,0|1,0,1]=4 100 B12R2.606 CC1CC2=CC(N)=CC=C2O1 4090689 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.606 NC1=CC=C2NC(=O)CC2=C1 4006397 [0,1,0,1,0,0|1,0,1]=4 102 B12R2.44 COC1=CC2=C(C=C1)NC=C2 3020313 [0,1,0,1,0,0|0,0,2]=4 103 B8R1.11 CC1=C(CN)SC=C1 4088805 [1,0,0,0,1,0|2,0,0]=4 104 B8R1.8 NCCC1=CC=CO1 4087953 [1,0,0,0,1,0|1,0,0]=3 105 B8R1.8 NCCC1=CC=CS1 3020071 [1,0,0,0,1,0|1,0,0]=3 106 B8R1.8 NCCC1=CNN=C1 4087965 [1,0,0,0,1,0|2,0,0]=4 107 B8R1.8 NCCC1=CSC=N1 4090876 [1,0,0,0,1,0|2,0,0]=4 108 B8R1.8 NCCN1C=CN=C1 4090168 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.8 NNCC1=CC=CS1 4088418 [1,0,0,0,1,0|2,0,0]=4 110 B8R1.8 OCCC1=CC=CO1 4039978 [1,0,0,0,1,0|2,0,0]=4