0 B12R2.612 CC1=C2C=CC(Br)=CC2=NN1 CS-0079873 [0,0,0,0,0,0|1,1,2]=4 1 B12R2.612 CC1=CC=C2C(N)=NNC2=N1 CS-W022511 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.612 CN1N=CC2=C1C=CC(Br)=C2 CS-M2952 [0,0,0,0,0,0|3,1,0]=4 3 B12R2.612 CN1N=CC2=C1C=CC(N)=C2 CS-W019736 [0,0,0,0,0,0|4,0,0]=4 4 B12R2.612 ClC1=NC2=C(C=N1)C(Br)=CN2 CS-0041792 [0,0,0,0,0,0|4,0,0]=4 5 B12R2.612 NC1=CC2=C(C=C1)C(=O)OC2 CS-0059293 [0,0,0,0,0,0|3,0,1]=4 6 B12R2.612 O=C1CCC2=CC(F)=CC=C12 CS-W008930 [0,0,0,0,0,0|2,1,1]=4 7 B12R2.612 O=C1COC2=CC(Br)=CC=C12 CS-0028254 [0,0,0,0,0,0|2,1,1]=4 8 B12R2.612 O=C1COC2=CC(O)=CC=C12 CS-M3296 [0,0,0,0,0,0|3,0,1]=4 9 B12R2.612 OC1=NNC2=CC(Br)=CC=C21 CS-W022448 [0,0,0,0,0,0|0,1,0]=1 10 B11R2.1 BrC1=C2C=CC=CN2C=N1 CS-0006455 [1,0,0,0,0,0|3,0,0]=4 11 B11R2.1 BrC1=CNC2=C1N=CC=C2 CS-W006051 [1,0,0,0,0,0|3,0,0]=4 12 B11R2.1 BrC1=NNC2=C1C=CN=C2 CS-0006103 [1,0,0,0,0,0|2,0,0]=3 13 B11R2.1 CC1=CNC2=NC=CC=C12 CS-B0512 [1,0,0,0,0,0|3,0,0]=4 14 B11R2.1 CC1=NNC2=CC=CN=C21 CS-W021962 [1,0,0,0,0,0|2,0,0]=3 15 B11R2.1 ClC1=CNC2=C1C=CC=N2 CS-0003968 [1,0,0,0,0,0|3,0,0]=4 16 B11R2.1 IC1=CNC2=NC=CC=C12 CS-0004128 [1,0,0,0,0,0|3,0,0]=4 17 B11R2.1 NC1=NCC2=C1C=CC=C2 CS-0102029 [1,0,0,0,0,0|2,0,0]=3 18 B11R2.1 NC1=NNC2=NC=CC=C12 CS-M2176 [1,0,0,0,0,0|2,0,0]=3 19 B11R2.1 NC1=NSC2=C1C=CC=C2 CS-W019021 [1,0,0,0,0,0|2,0,0]=3 20 B11R2.1 O[C@H]1CCC2=C1C=CC=C2 CS-W013372 [1,0,0,0,0,0|2,0,1]=4 21 B11R2.36 BrC1=CC2=C(C=CN2)N=C1 CS-W008287 [1,0,0,0,0,0|2,1,0]=4 22 B11R2.36 BrC1=CN=C2C=NNC2=C1 CS-B1306 [1,0,0,0,0,0|1,1,0]=3 23 B11R2.36 CC1=CC2=C(C=CN2)C=C1 CS-W007349 [1,0,0,0,0,0|2,0,0]=3 24 B11R2.36 CC1=CC=C2C=CNC2=N1 CS-B0515 [1,0,0,0,0,0|3,0,0]=4 25 B11R2.36 ClC1=CC=C2N=NNC2=C1 CS-0040225 [1,0,0,0,0,0|1,0,0]=2 26 B11R2.36 ClC1=CC=C2NC=CC2=C1 CS-W007384 [1,0,0,0,0,0|3,0,0]=4 27 B11R2.36 ClC1=CC=C2NC=NC2=C1 CS-0035816 [1,0,0,0,0,0|2,0,1]=4 28 B11R2.36 ClC1=NC2=C(C=CN2)C=C1 CS-B0094 [1,0,0,0,0,0|2,0,0]=3 29 B11R2.36 ClC1=NC2=C(C=CN2)N=C1 CS-W005881 [1,0,0,0,0,0|3,0,0]=4 30 B11R2.36 O=C1C=CC2=C(NC=C2)N1 CS-W023178 [1,0,0,0,0,0|3,0,0]=4 31 B11R2.36 OC1=CC=C2NN=CC2=C1 CS-D0862 [1,0,0,0,0,0|3,0,0]=4 32 B13R2.5187 O=C1OC(=O)C2=C1C=CC(Cl)=C2 CS-W019466 [0,1,0,0,0,0|2,0,1]=4 33 B13R2.11642 NC1=NNC2=C1C(F)=CC(Br)=C2 CS-0105341 [0,1,0,0,0,0|1,1,0]=3 34 B11R1.37 N#CC1=C(C=O)C=CC(Cl)=C1 CS-W018964 [0,0,1,0,0,0|1,0,2]=4 35 B11R1.166 CC(=O)C1=CC=C(Cl)C=C1F CS-0094504 [0,0,1,0,0,0|2,0,1]=4 36 B11R1.166 CC1=CC(Br)=CC=C1C(=O)O CS-W004863 [0,0,1,0,0,0|2,1,0]=4 37 B11R1.166 CC1=CC(Cl)=CN=C1C(=O)O CS-W003405 [0,0,1,0,0,0|3,0,0]=4 38 B11R1.166 CC1=CC(N)=C(C(=N)O)C=C1 CS-W005470 [0,0,1,0,0,0|1,0,0]=2 39 B11R1.166 CC1=CC(N)=C(C(=O)O)C=C1 CS-W004921 [0,0,1,0,0,0|2,0,0]=3 40 B11R1.166 CC1=CC(O)=CC=C1C(=O)O CS-W016305 [0,0,1,0,0,0|3,0,0]=4 41 B11R1.166 CC1=CC=C(C(=O)O)C(I)=C1 CS-0041338 [0,0,1,0,0,0|3,0,0]=4 42 B11R1.166 CC1=CC=C(C(=O)O)C(O)=C1 CS-W009192 [0,0,1,0,0,0|3,0,0]=4 43 B11R1.166 NC1=C(C(=O)O)C=CC(F)=C1 CS-W019810 [0,0,1,0,0,0|1,1,0]=3 44 B11R1.166 NC1=NC(Br)=CC=C1C(=O)O CS-W008862 [0,0,1,0,0,0|2,1,0]=4 45 B11R1.166 O=C(O)C1=C(Cl)C=C(Cl)C=C1 CS-W013226 [0,0,1,0,0,0|2,0,0]=3 46 B11R1.166 O=C(O)C1=C(F)C=C(Cl)C=C1 CS-W017485 [0,0,1,0,0,0|2,0,0]=3 47 B11R1.166 O=C(O)C1=C(I)C=C(Cl)C=C1 CS-W008018 [0,0,1,0,0,0|2,0,0]=3 48 B11R1.166 O=C(O)C1=C(O)N=C(Cl)C=C1 CS-W019669 [0,0,1,0,0,0|3,0,0]=4 49 B11R1.166 O=C(O)C1=CC=C(Br)C=C1O CS-W008739 [0,0,1,0,0,0|2,1,0]=4 50 B11R1.166 O=C(O)C1=CC=C(I)C=C1Br CS-W019733 [0,0,1,0,0,0|2,1,0]=4 51 B13R2.3683 ClC1=CC2=C(C=N1)C=C(Br)C=C2 CS-0044862 [0,0,0,0,0,1|2,1,0]=4 52 B13R2.3683 ClC1=NC=C2C=C(Br)C=CC2=N1 CS-D1643 [0,0,0,0,0,1|2,1,0]=4 53 B13R2.3683 O=C1C=CC2=CC(Cl)=CC=C2N1 CS-W017247 [0,0,0,0,0,1|2,0,1]=4 54 B13R2.3683 O=C1CNC2=CC(Br)=CC=C2N1 CS-0047641 [0,0,0,0,0,1|1,1,1]=4 55 B13R2.5179 ClC1=C2C=CC(Br)=CC2=NC=N1 CS-D0031 [0,0,0,0,0,1|1,1,1]=4 56 B13R2.5179 NC1=CC=NC2=CC(Cl)=CC=C12 CS-D0096 [0,0,0,0,0,1|2,0,1]=4 57 B13R2.5179 O=C1NC=NC2=C1C=CC(Cl)=C2 CS-B0992 [0,0,0,0,0,1|0,0,3]=4 58 B13R2.5179 O=C1NN=CC2=C1C=CC(Br)=C2 CS-W008890 [0,0,0,0,0,1|1,1,1]=4 59 B10R1.1 NCCC1=CC=C(Cl)C=C1 CS-W004775 [1,0,1,0,0,0|1,0,1]=4 60 B10R1.1 NOCC1=CC=C(Cl)C=C1 CS-B1210 [1,0,1,0,0,0|1,0,1]=4 61 B10R1.13 NC(=O)C1=CC=C(Cl)C=C1 CS-W019519 [1,0,1,0,0,0|0,0,1]=3 62 B10R1.13 NC(=O)C1=CC=C(N)C=C1 CS-W017757 [1,0,1,0,0,0|1,0,1]=4 63 B10R1.13 NC(=S)C1=CC=C(O)C=C1 CS-W018071 [1,0,1,0,0,0|1,1,0]=4 64 B10R1.13 O=C(O)C1=CC=C(Cl)C=C1 CS-M3680 [1,0,1,0,0,0|1,0,0]=3 65 B10R1.13 O=C(O)C1=CC=C(I)C=C1 CS-W014112 [1,0,1,0,0,0|1,1,0]=4 66 B10R1.15 NC[C@@H](O)C1=CC=CC=C1 CS-W007718 [1,0,1,0,0,0|1,0,1]=4 67 B10R1.15 N\N=C(/O)C1=CN=CC=C1 CS-W013333 [1,0,1,0,0,0|1,0,0]=3 68 B10R1.25 O=CC1=C(Cl)C=C(Cl)C=C1 CS-W017473 [1,0,1,0,0,0|1,0,1]=4 69 B10R1.25 O=CC1=C(F)C=C(Cl)C=C1 CS-W007528 [1,0,1,0,0,0|1,0,1]=4 70 B10R1.25 O=CC1=C(O)C=C(Cl)C=C1 CS-W007810 [1,0,1,0,0,0|1,0,1]=4 71 B10R1.30 O=CC1=CC(Cl)=CC=C1O CS-W007438 [1,0,1,0,0,0|2,0,0]=4 72 B10R1.61 NC(=O)C1=CC=CC=C1N CS-D1680 [1,0,1,0,0,0|0,0,2]=4 73 B10R1.61 NC1=C(C(=O)O)C=CN=C1 CS-D0792 [1,0,1,0,0,0|2,0,0]=4 74 B10R1.61 NC1=CC=CC=C1B(O)O CS-W008208 [1,0,1,0,0,0|2,0,0]=4 75 B10R1.61 O=C(O)C1=CC=CC=C1F CS-W019975 [1,0,1,0,0,0|2,0,0]=4 76 B10R2.7 C1=CC2=C(C=C1)CC=C2 CS-0015092 [2,0,0,0,0,0|2,0,0]=4 77 B10R2.7 C1=CC2=C(C=N1)NN=C2 CS-W019668 [2,0,0,0,0,0|1,0,0]=3 78 B10R2.7 C1=CC2=C(C=N1)NN=N2 CS-W021930 [2,0,0,0,0,0|2,0,0]=4 79 B10R2.7 C1=CC2=NN=CN2C=C1 CS-0088107 [2,0,0,0,0,0|1,0,1]=4 80 B10R2.7 C1=CC=C2NN=NC2=C1 CS-D1407 [2,0,0,0,0,0|1,0,0]=3 81 B10R2.7 C1=CN=C2NN=CC2=C1 CS-W000643 [2,0,0,0,0,0|1,0,0]=3 82 B12R1.226 O=C(O)CCC1=CC(Cl)=CC=C1 CS-W016980 [0,1,1,0,0,0|2,0,0]=4 83 B12R1.232 NC1=CC(Br)=C(Br)C=C1C(=O)O CS-0028798 [0,1,1,0,0,0|1,1,0]=4 84 B12R1.1000 NC1=CC(Cl)=NC(Cl)=C1C(=O)O CS-W022067 [0,1,1,0,0,0|2,0,0]=4 85 B12R2.1 N#CC1=NNC2=C1C=CC=C2 CS-0005527 [1,1,0,0,0,0|1,0,0]=3 86 B12R2.132 CC1=NOC2=C1C=C(Br)C=C2 CS-D0883 [1,1,0,0,0,0|2,0,0]=4 87 B12R2.132 ClC1=CC=C2NN=C(I)C2=C1 CS-W022350 [1,1,0,0,0,0|1,0,0]=3 88 B12R2.132 NC1=NNC2=C1C=C(Br)C=C2 CS-D0991 [1,1,0,0,0,0|1,0,0]=3 89 B12R2.196 NC1=NNC2=C1C=CC=C2Br CS-W006669 [1,1,0,0,0,0|1,0,0]=3 90 B12R2.196 NC1=NOC2=C1C=CC=C2Br CS-W007150 [1,1,0,0,0,0|2,0,0]=4 91 B12R2.203 NC1=NNC2=C1C(Br)=CC=C2 CS-W009221 [1,1,0,0,0,0|1,0,0]=3 92 B12R2.2028 CN1N=C(N)C2=CC=CN=C21 CS-D1080 [1,1,0,0,0,0|2,0,0]=4 93 B12R2.100 BrC1=CC2=C(C=C1Br)NC=C2 CS-0100533 [1,1,0,0,0,0|1,1,0]=4 94 B12R2.100 CC1=C(Br)C=C2C=NNC2=C1 CS-M0325 [1,1,0,0,0,0|1,0,0]=3 95 B12R2.100 CC1=CC2=C(C=C1Br)NN=C2 CS-W019740 [1,1,0,0,0,0|0,1,0]=3 96 B12R2.100 CC1=CC2=C(C=CN2)C=C1Cl CS-0036530 [1,1,0,0,0,0|2,0,0]=4 97 B12R2.100 ClC1=C(Br)C=C2NN=CC2=C1 CS-W007238 [1,1,0,0,0,0|0,1,0]=3 98 B12R2.100 ClC1=CC2=C(C=C1Br)NC=C2 CS-0050267 [1,1,0,0,0,0|1,1,0]=4 99 B12R2.100 ClC1=CC2=C(C=C1Cl)NC=C2 CS-W019826 [1,1,0,0,0,0|1,0,0]=3 100 B12R2.100 FC1=CC2=C(C=NN2)C=C1Br CS-D1263 [1,1,0,0,0,0|0,1,0]=3 101 B12R2.246 ClC1=C2C=NNC2=CC(Br)=C1 CS-W005979 [1,1,0,0,0,0|0,1,0]=3 102 B12R2.246 ClC1=CC(Cl)=C2C=CNC2=N1 CS-D1619 [1,1,0,0,0,0|2,0,0]=4 103 B12R2.246 ClC1=NC(Cl)=C2C=NNC2=N1 CS-W008775 [1,1,0,0,0,0|2,0,0]=4 104 B12R2.246 FC1=CC(Br)=CC2=C1C=CN2 CS-W019408 [1,1,0,0,0,0|1,1,0]=4 105 B12R2.246 FC1=CC(Br)=CC2=C1C=NN2 CS-D0837 [1,1,0,0,0,0|0,1,0]=3 106 B12R2.246 FC1=CC2=C(C=CN2)C(Br)=C1 CS-W019334 [1,1,0,0,0,0|1,1,0]=4 107 B12R2.606 CN1C=C2C=CC(Cl)=CC2=N1 CS-0045029 [1,1,0,0,0,0|0,0,2]=4 108 B12R2.606 O=C1CC2=C(C=C(Cl)C=C2)N1 CS-W008657 [1,1,0,0,0,0|1,0,1]=4 109 B12R2.606 O=C1NC2=CC=C(Cl)C=C2N1 CS-W020374 [1,1,0,0,0,0|2,0,0]=4 110 B12R2.606 S=C1NC2=CC=C(Cl)C=C2N1 CS-0094540 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.8235 ClC1=CC2=C(Cl)N=C(Cl)N=C2C=C1 CS-D1561 [0,1,0,0,0,1|2,0,0]=4 112 B14R2.300 O=C(O)C1=CNC2=C1C=CC(Br)=C2 CS-W004920 [0,2,0,0,0,0|1,1,0]=4 113 B14R2.300 O=C(O)C1=CNC2=C1C=CC(F)=C2 CS-W006480 [0,2,0,0,0,0|1,1,0]=4 114 B14R2.5719 CC1=NNC2=CC([N+](=O)[O-])=CC=C21 CS-M3238 [0,2,0,0,0,0|2,0,0]=4 115 B12R1.233 O=C(O)CC1=C(Br)C=C(Cl)C=C1 CS-W005447 [0,0,1,0,0,1|2,0,0]=4 116 B12R1.233 O=C(O)CC1=C(Cl)C=C(Cl)C=C1 CS-W015389 [0,0,1,0,0,1|2,0,0]=4