0 B12R2.1081 BrC1=CC=CC2=C1C=CN=C2 BB01-7935 [0,0,0,0,0,0|2,0,0]=2 1 B12R2.1081 BrC1=CN=CC2=CC=CC=C12 BB01-4756 [0,0,0,0,0,0|2,0,0]=2 2 B12R2.1081 CN1CCNC2=CC=CC=C21 BB58-4942 [0,0,0,0,0,0|2,0,2]=4 3 B12R2.1081 ClC1=NC=CC2=C1C=CC=C2 BB57-5158 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.1081 O=C1CCSC2=C1C=CC=C2 BB01-5930 [0,0,0,0,0,0|2,0,2]=4 5 B12R2.1081 OC1=C2C=CC=CC2=NC=N1 BB01-6015 [0,0,0,0,0,0|3,0,0]=3 6 B12R2.1081 OC1=CC=CC2=C1C=CC=N2 BB57-3406 [0,0,0,0,0,0|2,0,0]=2 7 B12R2.1081 SC1=NC=NC2=CC=CC=C21 BB57-4839 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.1081 SC1=NN=CC2=CC=CC=C21 BB57-5435 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.32 CC1=C(C)C2=CC=CC=C2C=C1 BB17-0559 [0,1,0,0,0,0|0,0,0]=1 10 B13R2.32 CC1=[N+](C)C2=CC=CC=C2C=C1 BB58-0123 [0,1,0,0,0,0|1,0,0]=2 11 B13R2.32 CN1C(=O)C=CC2=CC=CC=C21 BB58-5185 [0,1,0,0,0,0|1,0,0]=2 12 B13R2.32 CN1C(=S)C=CC2=CC=CC=C21 BB01-2473 [0,1,0,0,0,0|1,0,0]=2 13 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 BB57-3401 [0,1,0,0,0,0|2,0,0]=3 14 B13R2.162 O=C1NC=NC2=CC=C(Br)C=C12 BB57-5345 [0,1,0,0,0,0|3,0,0]=4 15 B13R2.162 OC1=CC=CC2=C1N=C(Cl)C=C2 BB57-3392 [0,1,0,0,0,0|2,0,0]=3 16 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 BB58-4563 [0,1,0,0,0,0|1,0,0]=2 17 B13R2.328 CC1=NC2=C(C=CC=C2)C(N)=C1 BB01-8370 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 BB01-2812 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.328 ClC1=CC2=C(C=CC=C2)C(Cl)=N1 BB01-5981 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.328 O=C1C=C(O)C2=C(C=CC=C2)N1 BB01-0958 [0,1,0,0,0,0|2,0,0]=3 21 B13R2.328 O=C1C=C(O)C2=CC=CC=C2O1 BB01-7795 [0,1,0,0,0,0|2,0,0]=3 22 B13R2.328 O=C1N=C(S)SC2=CC=CC=C12 BB52-7606 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.328 O=C1NC(=O)C2=CC=CC=C2N1 BB01-7785 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.328 O=C1NC(S)=NC2=C1C=CC=C2 BB57-2391 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.1613 NCC1=CC=CC2=CC=CC=C21 BB57-6655 [0,1,0,0,0,0|0,0,0]=1 26 B13R2.1613 NNC1=NN=CC2=CC=CC=C21 BB57-5081 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.4818 NC1=CC=CC2=CC=CC(N)=C12 BB17-1798 [0,1,0,0,0,0|1,0,0]=2 28 B13R2.5179 CC1=CC=C2C(C)=CC=CC2=C1 BB55-7384 [0,1,0,0,0,0|0,0,0]=1 29 B13R2.5179 SC1=CC=NC2=CC(Cl)=CC=C12 BB57-5115 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.17 C(=O)NCC1=CC=CC=C1C BB20-0165 [0,0,1,0,0,0|2,0,1]=4 31 B11R1.17 C=CCOC1=CC=CC=C1N BB57-1180 [0,0,1,0,0,0|2,0,1]=4 32 B11R1.28 CCO\C=N\C1=CC=CC=C1 BB20-1270 [0,0,1,0,0,0|2,0,1]=4 33 B11R1.265 COC1=C(C=O)C=CC=C1C BB17-1110 [0,0,1,0,0,0|2,0,1]=4 34 B11R2.1 BrC1=C2C=CC=CN2C=N1 BB31-6386 [0,0,0,0,1,0|3,0,0]=4 35 B11R2.1 CC1=CNC2=CC=CC=C12 BB01-6044 [0,0,0,0,1,0|1,0,0]=2 36 B11R2.1 CC1=NNC2=CC=CC=C21 BB57-2499 [0,0,0,0,1,0|2,0,0]=3 37 B11R2.1 CC1=NNC2=NC=CC=C12 BB58-4531 [0,0,0,0,1,0|3,0,0]=4 38 B11R2.1 CN1N=NC2=CC=CC=C21 BB58-1288 [0,0,0,0,1,0|3,0,0]=4 39 B11R2.1 IC1=CNC2=NC=CC=C12 BB20-1522 [0,0,0,0,1,0|3,0,0]=4 40 B11R2.1 NC1=NNC2=C1C=CC=C2 BB58-1538 [0,0,0,0,1,0|3,0,0]=4 41 B11R2.1 NC1=NOC2=CC=CC=C21 BB01-4574 [0,0,0,0,1,0|3,0,0]=4 42 B11R2.1 O=C1NNC2=C1C=CC=C2 BB20-2294 [0,0,0,0,1,0|3,0,0]=4 43 B11R2.1 O=C1NSC2=CC=CC=C12 BB01-6797 [0,0,0,0,1,0|3,0,0]=4 44 B11R2.1 O=C1OCC2=C1C=CC=C2 BB01-6204 [0,0,0,0,1,0|2,0,1]=4 45 B11R2.106 CC1=C2NN=CC2=CC=C1 BB01-0299 [0,0,0,0,1,0|2,0,0]=3 46 B11R2.106 CC1=CC=CC2=C1C=CN2 BB01-0988 [0,0,0,0,1,0|1,0,0]=2 47 B11R2.106 ClC1=C2NC=CC2=CC=C1 BB55-7562 [0,0,0,0,1,0|2,0,0]=3 48 B11R2.106 ClC1=CC=CC2=C1C=CN2 BB01-0987 [0,0,0,0,1,0|2,0,0]=3 49 B11R2.106 NC1=C2C=CNC2=CC=C1 BB26-0516 [0,0,0,0,1,0|2,0,0]=3 50 B11R2.106 [O-][N+]1=C2NC=CC2=CC=C1 BB20-4942 [0,0,0,0,1,0|3,0,0]=4 51 B10R1.2 CC1=CC=CC(C=O)=C1O BB17-1049 [1,0,1,0,0,0|2,0,0]=4 52 B10R1.4 C=CCC1=C(O)C=CC=C1 BB01-3409 [1,0,1,0,0,0|1,0,1]=4 53 B10R1.17 OC\C=C\C1=CC=CC=C1 BB01-5912 [1,0,1,0,0,0|1,0,1]=4 54 B12R1.125 CC1=CC=CC=C1\C=C\C(=O)Cl BB55-6108 [0,1,1,0,0,0|1,0,0]=3 55 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Br BB55-6106 [0,1,1,0,0,0|2,0,0]=4 56 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1Cl BB55-6085 [0,1,1,0,0,0|2,0,0]=4 57 B12R1.125 O=C(Cl)\C=C\C1=CC=CC=C1F BB55-6103 [0,1,1,0,0,0|2,0,0]=4 58 B12R1.125 O=C(O)\C=C\C1=C(F)C=CC=C1 BB01-2229 [0,1,1,0,0,0|2,0,0]=4 59 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Br BB55-6081 [0,1,1,0,0,0|2,0,0]=4 60 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl BB01-2911 [0,1,1,0,0,0|2,0,0]=4 61 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O BB57-6763 [0,1,1,0,0,0|2,0,0]=4 62 B12R1.50 C=CC(=O)NC1=CC=CC(C)=C1 BB20-1412 [0,1,1,0,0,0|1,0,0]=3 63 B12R1.226 CC1=CC(\C=C\C(=O)O)=CC=C1 BB01-5432 [0,1,1,0,0,0|1,0,0]=3 64 B12R1.226 O=C(Cl)\C=C\C1=CC=CC(Cl)=C1 BB55-6086 [0,1,1,0,0,0|2,0,0]=4 65 B12R1.226 O=C(O)\C=C\C1=CC(F)=CC=C1 BB01-2220 [0,1,1,0,0,0|2,0,0]=4 66 B12R1.226 O=C(O)\C=C\C1=CC(O)=CC=C1 BB57-0244 [0,1,1,0,0,0|2,0,0]=4 67 B12R1.226 O=C(O)\C=C\C1=CC=CC(Br)=C1 BB57-0290 [0,1,1,0,0,0|2,0,0]=4 68 B12R1.252 O=C(O)C\C=C\C1=CC=CC=C1 BB01-6174 [0,1,1,0,0,0|1,0,1]=4 69 B12R2.24 BrC1=CN=C2C=CC=CC2=C1 BB01-7804 [1,1,0,0,0,0|1,0,0]=3 70 B12R2.24 ClC1=CC2=CN=CC=C2C=C1 BB32-1617 [1,1,0,0,0,0|1,0,0]=3 71 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 BB57-6789 [1,1,0,0,0,0|1,0,0]=3 72 B12R2.24 O=C1C=CC2=C(C=CC=C2)O1 BB01-7793 [1,1,0,0,0,0|1,0,0]=3 73 B12R2.24 OC1=CC2=C(C=CC=N2)C=C1 BB57-3407 [1,1,0,0,0,0|1,0,0]=3 74 B12R2.24 OC1=CC=C2C=CC=CC2=N1 BB17-2144 [1,1,0,0,0,0|1,0,0]=3 75 B12R2.1 N#CC1=CNC2=CC=CC=C12 BB01-0917 [0,1,0,0,1,0|1,0,1]=4 76 B12R2.18 CC1=C(C)C2=CC=CC=C2N1 BB01-8134 [0,1,0,0,1,0|1,0,0]=3 77 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 BB01-3970 [0,1,0,0,1,0|2,0,0]=4 78 B12R2.18 CN1C(N)=NC2=C1C=CC=C2 BB05-0210 [0,1,0,0,1,0|2,0,0]=4 79 B12R2.18 CN1C2=CC=CC=C2N=C1S BB57-1880 [0,1,0,0,1,0|2,0,0]=4 80 B12R2.18 O=C1NC2=C(C=CC=C2)C1=O BB01-6155 [0,1,0,0,1,0|2,0,0]=4 81 B12R2.2028 CN1N=C(N)C2=CC=CC=C21 BB58-4662 [0,1,0,0,1,0|2,0,0]=4 82 B12R2.202 CC1=CC=CC2=CC(=O)N=C12 BB31-7827 [0,1,0,0,1,0|1,0,0]=3 83 B12R2.221 CC1=C2C=CNC2=C(Br)C=C1 BB31-3296 [0,1,0,0,1,0|1,0,0]=3 84 B12R2.246 CC1=CC(C)=C2NN=CC2=C1 BB01-0298 [0,1,0,0,1,0|2,0,0]=4 85 B12R2.315 O=CC1=C2C=CNC2=CC=C1 BB01-0973 [0,1,0,0,1,0|1,0,1]=4 86 B14R2.92 O=CC1=COC2=C(C=CC=C2)C1=O BB01-7786 [0,2,0,0,0,0|2,0,0]=4 87 B14R2.7724 CN1C(=O)C=C(O)C2=CC=CC=C21 BB01-2665 [0,2,0,0,0,0|1,0,0]=3 88 B14R2.7724 CN1C(=O)NC(=O)C2=CC=CC=C21 BB01-2253 [0,2,0,0,0,0|2,0,0]=4 89 B14R2.7724 OC1=C(I)C=C(Cl)C2=C1N=CC=C2 BB01-5919 [0,2,0,0,0,0|2,0,0]=4 90 B14R2.8188 O=C1OC2=CC=CC=C2C(O)=C1Br BB57-5016 [0,2,0,0,0,0|2,0,0]=4 91 B14R2.29369 CN1C(=O)C=CC2=C1C=CC(O)=C2 BB58-5084 [0,2,0,0,0,0|1,0,0]=3 92 B14R2.29369 CN1C=CC2=C(C=CC(Br)=C2)C1=O BB31-8592 [0,2,0,0,0,0|2,0,0]=4 93 B14R2.142 N#CC1=NC2=C(O)C=CC=C2C=C1 BB58-1227 [0,2,0,0,0,0|2,0,0]=4 94 B14R2.142 O=CC1=NC2=C(C=CC=C2O)C=C1 BB57-3393 [0,2,0,0,0,0|2,0,0]=4 95 B14R2.8045 CC1=C2NC(=O)OC(=O)C2=CC=C1 BB01-8258 [0,2,0,0,0,0|2,0,0]=4 96 B14R2.8045 CC1=CC(=O)NC2=C1C=CC=C2C BB57-5414 [0,2,0,0,0,0|1,0,0]=3 97 B14R2.8235 CC1=CC=C2N=C(Cl)C=C(C)C2=C1 BB57-7051 [0,2,0,0,0,0|1,0,0]=3 98 B14R2.8235 CC1=CC=C2NC(=O)C=C(C)C2=C1 BB57-5498 [0,2,0,0,0,0|1,0,0]=3 99 B14R2.8235 CC1=CC=C2OC(=O)C=C(O)C2=C1 BB01-4997 [0,2,0,0,0,0|2,0,0]=4 100 B14R2.29365 CC1=CC(=O)OC2=C1C=CC(N)=C2 BB05-1313 [0,2,0,0,0,0|1,0,0]=3 101 B14R2.29365 CC1=CC(=O)OC2=CC(O)=CC=C12 BB01-6113 [0,2,0,0,0,0|1,0,0]=3 102 B14R2.29365 CC1=CC(C)=NC2=NC(N)=CC=C12 BB57-5040 [0,2,0,0,0,0|2,0,0]=4 103 B14R2.7150 CCNC1=CC=CC2=CC=CC=C21 BB57-6090 [0,2,0,0,0,0|0,0,0]=2 104 B14R2.7150 CNCC1=C2C=CN=CC2=CC=C1 BB58-3558 [0,2,0,0,0,0|1,0,0]=3 105 B14R2.7150 N#CCC1=CC=CC2=CC=CC=C21 BB17-1490 [0,2,0,0,0,0|0,0,0]=2 106 B14R2.7150 S=C=NC1=C2C=CC=CC2=CC=C1 BB01-8018 [0,2,0,0,0,0|0,0,1]=3 107 B14R2.31359 CC(=O)C1=NC=CC2=CC=CC=C21 BB32-3053 [0,2,0,0,0,0|1,0,0]=3 108 B14R2.31359 CC(N)C1=CC=CC2=C1C=CC=C2 BB55-1647 [0,2,0,0,0,0|0,0,0]=2 109 B14R2.31359 O=C(O)C1=C2C=CC=CC2=CC=N1 BB01-6135 [0,2,0,0,0,0|1,0,1]=4 110 B14R2.31359 O=C(O)C1=C2N=CC=CC2=CC=C1 BB55-6178 [0,2,0,0,0,0|1,0,1]=4 111 B14R2.31359 O=[N+]([O-])C1=CC=CC2=C1C=CN=C2 BB01-5936 [0,2,0,0,0,0|2,0,0]=4 112 B14R2.1801 COC1=CC2=C(C=C1)C(O)=CC=N2 BB57-3399 [0,2,0,0,0,0|2,0,0]=4 113 B12R2.32 O=CC1=CC2=CC=CC=C2S1 BB58-0480 [0,0,1,1,0,0|2,0,0]=4 114 B10R2.7 C1=CC=C2NN=CC2=C1 BB20-0656 [1,0,0,0,1,0|2,0,0]=4