0 B12R2.1081 BrC1=C2C=NC=CC2=CC=C1 CS-B0667 [0,0,0,0,0,0|3,0,0]=3 1 B12R2.1081 BrC1=CC=CC2=CN=CC=C12 CS-W007854 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 BrC1=CN=CC2=C1C=CC=C2 CS-D1707 [0,0,0,0,0,0|3,0,0]=3 3 B12R2.1081 CC1=C2N=CC=NC2=CC=C1 CS-W004975 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.1081 ClC1=C2N=CC=NC2=CC=N1 CS-W022365 [0,0,0,0,0,0|3,0,0]=3 5 B12R2.1081 ClC1=CC=CC2=C1N=CC=C2 CS-W004943 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.1081 ClC1=CN=CC2=CC=CC=C12 CS-W019128 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.1081 FC1=C2C=CC=CC2=CC=C1 CS-0001469 [0,0,0,0,0,0|2,0,0]=2 8 B12R2.1081 IC1=C2N=CC=CC2=CC=C1 CS-0041399 [0,0,0,0,0,0|1,0,0]=1 9 B12R2.1081 NC1=C2N=CC=CC2=CC=N1 CS-0094697 [0,0,0,0,0,0|2,0,0]=2 10 B12R2.1081 NC1=CC=CC2=CC=NC=C12 CS-W004819 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.1081 NC1=CN=CC2=CC=CC=C12 CS-W008059 [0,0,0,0,0,0|3,0,0]=3 12 B12R2.1081 O=C1C=NNC2=C1C=CC=C2 CS-W022612 [0,0,0,0,0,0|3,0,1]=4 13 B12R2.1081 OC1=C2N=CC=NC2=CC=C1 CS-0018963 [0,0,0,0,0,0|1,0,0]=1 14 B11R2.20 C1=CC2=CN=CC=C2N=C1 CS-W011109 [1,0,0,0,0,0|1,0,0]=2 15 B11R2.20 C1=CC=C2C=NC=CC2=C1 CS-W013448 [1,0,0,0,0,0|2,0,0]=3 16 B11R2.20 C1=CN=C2C=CC=NC2=C1 CS-B0780 [1,0,0,0,0,0|1,0,0]=2 17 B13R2.32 CC1=C(Br)C=CC2=C1N=CC=C2 CS-W005742 [0,1,0,0,0,0|1,0,0]=2 18 B13R2.32 NC1=CC=C2N=CC=NC2=C1Br CS-W022443 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.162 CC1=NC2=C(C=CC=C2Br)C=C1 CS-W008274 [0,1,0,0,0,0|1,0,0]=2 20 B13R2.162 ClC1=CC2=C(C=CN=C2Cl)C=C1 CS-W021293 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.162 ClC1=CC=CC2=C1N=C(Cl)C=C2 CS-W010549 [0,1,0,0,0,0|1,0,0]=2 22 B13R2.162 NC1=C2C=C(O)C=CC2=CC=C1 CS-M2624 [0,1,0,0,0,0|2,0,0]=3 23 B13R2.162 NC1=CC2=C(C=C1)N=CN=C2O CS-W005348 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.162 NC1=NC=CC2=C1C=C(Br)C=C2 CS-W005231 [0,1,0,0,0,0|3,0,0]=4 25 B13R2.162 O=C1C=CC2=C(N1)C(O)=CC=C2 CS-D1708 [0,1,0,0,0,0|0,0,1]=2 26 B13R2.162 O=C1C=COC2=CC=C(F)C=C12 CS-0063923 [0,1,0,0,0,0|2,0,1]=4 27 B13R2.162 OC1=CC=NC2=C1C=C(Br)C=C2 CS-M0119 [0,1,0,0,0,0|2,0,0]=3 28 B13R2.162 OC1=CC=NC2=C1C=C(I)C=C2 CS-D0866 [0,1,0,0,0,0|2,0,0]=3 29 B13R2.328 CC1=CC(Cl)=NC2=CC=CC=C12 CS-W017357 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.328 CC1=NC2=CC=CC=C2C(Cl)=C1 CS-W017355 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.328 CC1=NC2=CC=CC=C2C(O)=C1 CS-0019244 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.328 ClC1=CC(Cl)=C2C=CC=NC2=C1 CS-W009236 [0,1,0,0,0,0|3,0,0]=4 33 B13R2.328 NC1=CC(Cl)=NC2=CC=CC=C12 CS-W006264 [0,1,0,0,0,0|3,0,0]=4 34 B13R2.328 OC1=CC(Br)=C2C=CC=CC2=C1 CS-0040518 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.328 OC1=CC(Cl)=C2N=CC=CC2=C1 CS-0029519 [0,1,0,0,0,0|1,0,0]=2 36 B13R2.342 OC1=CC=CC2=C(O)C=CC=C12 CS-0015800 [0,1,0,0,0,0|1,0,0]=2 37 B13R2.371 BrC1=CC=C(Br)C2=C1C=CN=C2 CS-W022282 [0,1,0,0,0,0|3,0,0]=4 38 B13R2.371 NC1=C2C=NC=CC2=C(Br)C=C1 CS-0037082 [0,1,0,0,0,0|3,0,0]=4 39 B13R2.371 NC1=CC=C(Br)C2=C1C=CC=C2 CS-D1353 [0,1,0,0,0,0|2,0,0]=3 40 B13R2.1613 COC1=C2C=CN=CC2=CC=C1 CS-W022404 [0,1,0,0,0,0|2,0,0]=3 41 B13R2.1613 COC1=CC=CC2=CC=CC=C21 CS-W013284 [0,1,0,0,0,0|1,0,0]=2 42 B13R2.1613 N#CC1=CC=CC2=C1C=CN=C2 CS-W005357 [0,1,0,0,0,0|3,0,0]=4 43 B13R2.1613 NNC1=CC=CC2=CC=CC=C21 CS-W010636 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.1613 O=CC1=CN=CC2=CC=CC=C21 CS-W008375 [0,1,0,0,0,0|2,0,1]=4 45 B13R2.1613 OCC1=C2C=CC=CC2=CC=C1 CS-W017957 [0,1,0,0,0,0|1,0,0]=2 46 B13R2.5179 FC1=C2N=CC(I)=CC2=CC=C1 CS-0102162 [0,1,0,0,0,0|1,0,0]=2 47 B13R2.5179 NC1=CC=NC2=CC(Cl)=CC=C12 CS-D0096 [0,1,0,0,0,0|3,0,0]=4 48 B13R2.5179 O=C1C=C2C=CC=C(Cl)C2=CN1 CS-0105280 [0,1,0,0,0,0|3,0,0]=4 49 B13R2.5179 O=C1NC=CC2=C1C=CC(Br)=C2 CS-B0782 [0,1,0,0,0,0|2,0,1]=4 50 B11R1.53 COC1=CC=CN=C1C(=O)O CS-W004949 [0,0,1,0,0,0|2,0,1]=4 51 B11R2.1 BrC1=C2N=CC=CN2N=C1 CS-W009241 [0,0,0,0,1,0|3,0,0]=4 52 B11R2.1 BrC1=CNC2=C1N=CC=C2 CS-W006051 [0,0,0,0,1,0|2,0,0]=3 53 B11R2.1 CC1=NNC2=CC=CN=C21 CS-W021962 [0,0,0,0,1,0|3,0,0]=4 54 B11R2.106 BrC1=C2N=CSC2=CC=C1 CS-W005649 [0,0,0,0,1,0|2,0,0]=3 55 B11R2.106 BrC1=CC=NC2=C1C=CN2 CS-B0098 [0,0,0,0,1,0|3,0,0]=4 56 B11R2.106 ClC1=C2N=CNC2=NC=C1 CS-W005973 [0,0,0,0,1,0|3,0,0]=4 57 B11R2.106 ClC1=C2SC=CC2=NC=C1 CS-D0325 [0,0,0,0,1,0|3,0,0]=4 58 B11R2.106 ClC1=CC=CC2=C1C=NN2 CS-M0440 [0,0,0,0,1,0|3,0,0]=4 59 B11R2.106 FC1=CC=CC2=C1C=NN2 CS-D0834 [0,0,0,0,1,0|3,0,0]=4 60 B11R2.106 FC1=CC=CC2=C1NC=C2 CS-W007613 [0,0,0,0,1,0|1,0,1]=3 61 B11R2.106 FC1=CC=NC2=C1C=CN2 CS-B0842 [0,0,0,0,1,0|3,0,0]=4 62 B11R2.106 NC1=C2C=NNC2=CC=C1 CS-0007645 [0,0,0,0,1,0|3,0,0]=4 63 B11R2.106 NC1=CC=CC2=NC=CN12 CS-W019813 [0,0,0,0,1,0|3,0,0]=4 64 B11R2.106 NC1=CC=CN2C=CN=C12 CS-W019706 [0,0,0,0,1,0|2,0,0]=3 65 B11R2.106 OC1=C2C=CNC2=NC=N1 CS-M1987 [0,0,0,0,1,0|3,0,0]=4 66 B11R2.106 OC1=C2C=CSC2=NC=C1 CS-W006794 [0,0,0,0,1,0|2,0,0]=3 67 B10R1.17 C=CCOC1=CC=CC=C1 CS-W013371 [1,0,1,0,0,0|1,0,1]=4 68 B10R1.61 O=C(O)C1=NC=CC=C1F CS-D1556 [1,0,1,0,0,0|2,0,0]=4 69 B12R2.24 BrC1=CC2=CN=CN=C2C=C1 CS-D1650 [1,1,0,0,0,0|1,0,0]=3 70 B12R2.24 BrC1=CC2=NC=NC=C2C=C1 CS-W008870 [1,1,0,0,0,0|1,0,0]=3 71 B12R2.24 BrC1=CC=C2N=CC=NC2=C1 CS-W020069 [1,1,0,0,0,0|1,0,0]=3 72 B12R2.24 BrC1=NC2=CC=CC=C2N=C1 CS-W008094 [1,1,0,0,0,0|1,0,0]=3 73 B12R2.24 CC1=CC2=CC=CC=C2N=C1 CS-W016413 [1,1,0,0,0,0|0,0,0]=2 74 B12R2.24 CC1=CC=C2N=CC=NC2=C1 CS-0019265 [1,1,0,0,0,0|1,0,0]=3 75 B12R2.24 ClC1=CC2=C(C=CC=N2)C=C1 CS-W005984 [1,1,0,0,0,0|0,0,0]=2 76 B12R2.24 ClC1=NC2=CC=CC=C2C=C1 CS-W007458 [1,1,0,0,0,0|0,0,0]=2 77 B12R2.24 ClC1=NC2=CC=CC=C2C=N1 CS-W005337 [1,1,0,0,0,0|1,0,0]=3 78 B12R2.24 NC1=NC2=CC=CC=C2C=C1 CS-W007524 [1,1,0,0,0,0|0,0,0]=2 79 B12R2.24 OC1=CC2=CC=CC=C2N=C1 CS-W008203 [1,1,0,0,0,0|0,0,0]=2 80 B12R2.612 CN1C=CC2=CC(Br)=CN=C21 CS-0043009 [0,1,0,0,1,0|2,0,0]=4 81 B12R2.202 CC1=C2N=C(N)SC2=CC=C1 CS-W014311 [0,1,0,0,1,0|2,0,0]=4 82 B12R2.202 ClC1=NC2=C(Br)C=CC=C2S1 CS-W019865 [0,1,0,0,1,0|2,0,0]=4 83 B12R2.202 NC1=NC2=C(C=CC=C2Cl)S1 CS-W019581 [0,1,0,0,1,0|2,0,0]=4 84 B12R2.221 CC1=CC=C(Cl)C2=C1NC=C2 CS-0102019 [0,1,0,0,1,0|1,0,1]=4 85 B12R2.246 BrC1=CC2=C(NC=C2)C(Br)=C1 CS-0096451 [0,1,0,0,1,0|1,0,1]=4 86 B12R2.246 ClC1=CC(Br)=CN2C=CN=C12 CS-D0274 [0,1,0,0,1,0|2,0,0]=4 87 B12R2.246 ClC1=CN2C=CN=C2C(Br)=C1 CS-0041819 [0,1,0,0,1,0|2,0,0]=4 88 B12R2.246 FC1=CC(Br)=CC2=C1C=CN2 CS-W019408 [0,1,0,0,1,0|2,0,0]=4 89 B12R2.246 FC1=CC2=C(C=CN2)C(Br)=C1 CS-W019334 [0,1,0,0,1,0|2,0,0]=4 90 B12R2.246 O=C1C=C(O)N2N=CC=C2N1 CS-0080425 [0,1,0,0,1,0|2,0,0]=4 91 B12R2.315 COC1=C2C=CNC2=NC=C1 CS-B0504 [0,1,0,0,1,0|2,0,0]=4 92 B12R2.315 N#CC1=C2C=CNC2=CC=C1 CS-W007669 [0,1,0,0,1,0|2,0,0]=4 93 B12R2.315 NCC1=CC=CC2=C1C=CN2 CS-0039164 [0,1,0,0,1,0|2,0,0]=4 94 B14R2.92 COC1=CC=C2C=CC=NC2=C1Br CS-0041650 [0,2,0,0,0,0|1,0,0]=3 95 B14R2.92 O=CC1=C(Br)C2=CC=CC=C2C=C1 CS-W004895 [0,2,0,0,0,0|2,0,0]=4 96 B14R2.142 COC1=CC2=C(C=C1)N=CC=C2O CS-W017452 [0,2,0,0,0,0|2,0,0]=4 97 B14R2.142 O=CC1=NC2=C(C=CC=C2O)C=C1 CS-W017556 [0,2,0,0,0,0|0,0,0]=2 98 B14R2.1078 COC1=CC=CC2=C(Br)C=CN=C12 CS-W010309 [0,2,0,0,0,0|0,0,0]=2 99 B14R2.1078 COC1=CC=CC2=C(Cl)N=CN=C12 CS-D0029 [0,2,0,0,0,0|1,0,0]=3 100 B14R2.1131 COC1=NC=C(Br)C2=C1C=CC=C2 CS-W020680 [0,2,0,0,0,0|2,0,0]=4 101 B14R2.1131 N#CC1=CC=C(Br)C2=C1C=CC=C2 CS-W020623 [0,2,0,0,0,0|2,0,0]=4 102 B14R2.31359 C[C@@H](N)C1=CC=CC2=CC=CC=C21 CS-M0086 [0,2,0,0,0,0|2,0,0]=4 103 B14R2.31359 C[C@H](N)C1=C2C=CC=CC2=CC=C1 CS-B0323 [0,2,0,0,0,0|2,0,0]=4 104 B14R2.31359 O=C(O)C1=CC=CC2=C1C=CN=C2 CS-0006098 [0,2,0,0,0,0|2,0,0]=4 105 B14R2.31359 O=C(O)C1=CC=CC2=C1N=CC=C2 CS-W007371 [0,2,0,0,0,0|0,0,0]=2 106 B14R2.31359 O=C(O)C1=CC=CC2=CC=NC=C21 CS-W005441 [0,2,0,0,0,0|2,0,0]=4 107 B14R2.31359 O=[N+]([O-])C1=CC=CC2=C1N=CC=C2 CS-W007962 [0,2,0,0,0,0|0,0,1]=3 108 B12R2.2 C1=CC=C(C2=CC=CS2)C=C1 CS-M2658 [0,0,1,1,0,0|1,1,0]=4 109 B12R2.32 O=CC1=NC2=CC=CC=C2N1 CS-W004873 [0,0,1,1,0,0|2,0,0]=4 110 B12R2.32 OCC1=NC2=C(C=CC=C2)O1 CS-W019081 [0,0,1,1,0,0|1,0,1]=4 111 B10R2.7 C1=CC2=C(C=C1)CC=C2 CS-0015092 [1,0,0,0,1,0|0,0,1]=3 112 B10R2.7 C1=CC2=C(C=N1)SC=C2 CS-0006104 [1,0,0,0,1,0|2,0,0]=4 113 B10R2.7 C1=CC2=C(C=NC=N2)N1 CS-W022388 [1,0,0,0,1,0|2,0,0]=4 114 B10R2.7 C1=CC2=C(N=C1)N=CO2 CS-0044085 [1,0,0,0,1,0|2,0,0]=4 115 B10R2.7 C1=CC2=CC=NN2C=C1 CS-B0647 [1,0,0,0,1,0|1,0,0]=3 116 B10R2.7 C1=CC2=CN=CNC2=N1 CS-W007892 [1,0,0,0,1,0|2,0,0]=4 117 B10R2.7 C1=CC2=NN=CN2C=C1 CS-0088107 [1,0,0,0,1,0|2,0,0]=4 118 B10R2.7 C1=CC2=NSN=C2C=C1 CS-W017754 [1,0,0,0,1,0|2,0,0]=4 119 B10R2.7 C1=CC=C2NN=NC2=C1 CS-D1407 [1,0,0,0,1,0|2,0,0]=4 120 B10R2.7 C1=CC=C2OC=NC2=C1 CS-W004722 [1,0,0,0,1,0|1,0,0]=3 121 B10R2.7 C1=CC=C2SC=NC2=C1 CS-W013350 [1,0,0,0,1,0|1,0,0]=3 122 B10R2.7 C1=CN=C2NN=CC2=C1 CS-W000643 [1,0,0,0,1,0|2,0,0]=4