0 B11R1.86 CC(C)OC1=C(N)C=CC=C1 CS13469 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.86 CC(C)OC1=NC=CC=C1Cl MC103348 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.86 O=C(O)CC1=NC=CN=C1Cl MC104770 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.4 CC1=CC=CN=C1CCN MC33439 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.4 CCOC1=CC=CN=C1C MC443397 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.4 CCOC1=CC=CN=C1O MC110935 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.4 CCOC1=NC=CN=C1N CS21230 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.4 N#CCC1=NC=CN=C1Cl MC444257 [1,0,0,0,0,0|2,0,1]=4 8 B10R1.4 NCCC1=NC=CC=C1Br MC104547 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [1,0,0,0,0,0|2,0,1]=4 10 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [1,0,0,0,0,0|3,0,0]=4 14 B12R1.151 CC(C)(N)CC1=C(Br)C=CC=C1 MC443554 [0,1,0,0,0,0|3,0,0]=4 15 B12R2.24 CC1CNC2=CC=CC=C2C1 MC33343 [0,0,0,1,0,0|3,0,0]=4 16 B12R2.24 CN1CCC2=CC=CC=C2C1 CS16157 [0,0,0,1,0,0|3,0,0]=4 17 B12R2.24 NC1CCC2=CC=CC=C2C1 CS18799 [0,0,0,1,0,0|3,0,0]=4 18 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106682 [0,0,0,1,0,0|3,0,0]=4 19 B12R2.24 NC1CCC2=CC=CC=C2C1 MC106683 [0,0,0,1,0,0|3,0,0]=4 20 B12R2.225 NC1=CC=CN=C1NC2CC2 MC106346 [0,0,0,1,0,0|3,0,0]=4 21 B10R1.61 CC(=O)C1=NC=CN=C1Cl MC444224 [0,0,0,0,1,0|2,0,1]=4 22 B10R1.61 CC(=O)C1=NC=CN=C1N CS15534 [0,0,0,0,1,0|2,0,1]=4 23 B10R1.61 CC(C)C1=C(Br)C=CC=C1 CS19988 [0,0,0,0,1,0|3,0,0]=4 24 B10R1.61 CC(C)C1=CN=CN=C1Cl CS15913 [0,0,0,0,1,0|3,0,0]=4 25 B10R1.61 CC(C)C1=NC=CC=C1Br MC441304 [0,0,0,0,1,0|2,0,0]=3 26 B10R1.61 CC(C)C1=NC=CC=C1N MC445692 [0,0,0,0,1,0|2,0,0]=3 27 B10R1.61 CC(N)C1=NC=CC=C1F MC430350 [0,0,0,0,1,0|3,0,0]=4 28 B10R1.61 CC1=NC=CN=C1C(=O)O CS19744 [0,0,0,0,1,0|2,0,1]=4 29 B10R1.61 CN(C)C1=NC=CN=C1N CS21223 [0,0,0,0,1,0|2,0,0]=3 30 B10R1.61 Cc1ccccc1C(C)Br MC106119 [0,0,0,0,1,0|3,0,0]=4 31 B9R1.8 CCCC1=CC=CN=C1 CS22402 [2,0,0,0,0,0|1,0,0]=3 32 B9R1.8 CCOC1=NC=CC=C1 CS18732 [2,0,0,0,0,0|2,0,0]=4 33 B9R1.8 CCOC1=NC=CN=C1 CS21524 [2,0,0,0,0,0|1,0,0]=3 34 B9R1.8 CNCC1=CC=CN=C1 CS18846 [2,0,0,0,0,0|2,0,0]=4 35 B9R1.8 COCC1=NC=CC=C1 CS20909 [2,0,0,0,0,0|2,0,0]=4 36 B9R1.8 NCCC1=CC=CN=C1 CS21892 [2,0,0,0,0,0|2,0,0]=4 37 B9R1.8 NCCC1=NC=CC=C1 CS14064 [2,0,0,0,0,0|2,0,0]=4 38 B9R1.8 NNCC1=NC=CN=C1 MC105289 [2,0,0,0,0,0|2,0,0]=4 39 B9R1.15 CC1=CC=CN=C1CCl CS15725 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.15 CC1=CC=CN=C1CO CS19225 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.15 CC1=NC=CC=C1CCl MC104832 [2,0,0,0,0,0|2,0,0]=4 42 B9R1.15 CC1=NC=CC=C1CN MC102930 [2,0,0,0,0,0|2,0,0]=4 43 B9R1.15 CC1=NC=CC=C1CO CS20145 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.15 CC1=NC=CN=C1CCl MC104771 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.15 CC1=NC=CN=C1CN MC103464 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.15 CC1=NC=CN=C1NN MC111198 [2,0,0,0,0,0|2,0,0]=4 47 B9R1.15 CCC1=C(C)C=CC=C1 CS21536 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.15 CCC1=NC=CC=C1Br MC105746 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.15 CCC1=NC=CN=C1Cl CS21430 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.15 COC1=NC=CC=C1C MC33438 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.15 COC1=NC=CN=C1Br CS12288 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 COC1=NC=CN=C1Cl CS14291 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.15 COC1=NC=CN=C1N MC441119 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.15 ClCC1=NC=CN=C1Cl CS12698 [2,0,0,0,0,0|2,0,0]=4 55 B9R1.15 NCC1=NC=CN=C1Cl CS14522 [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 NCC1=NC=CN=C1Cl CS14728 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.15 OCC1=NC=CN=C1Cl MC444258 [2,0,0,0,0,0|2,0,0]=4 58 B11R1.81 CCOC1=C(C)N=C(N)C=C1 CS10572 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.182 CCNC1=NC(Br)=CN=C1N CS21262 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.222 CCC(N)C1=C(C)C=CC=C1 CS14530 [1,1,0,0,0,0|2,0,0]=4 61 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 MC433485 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 MC443766 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.20 CC(C)OC1=CN=C(Cl)C=N1 CS17390 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 MC429968 [1,1,0,0,0,0|1,0,1]=4 65 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 MC443308 [1,1,0,0,0,0|2,0,0]=4 66 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 MC431254 [1,1,0,0,0,0|2,0,0]=4 67 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 MC103557 [0,1,0,0,1,0|2,0,0]=4 68 B11R1.87 CC(C)(C)C1=NC=CC=C1O MC431053 [0,1,0,0,1,0|2,0,0]=4 69 B11R1.87 CC1=C(C(C)(C)C)C=CC=C1 MC434015 [0,1,0,0,1,0|2,0,0]=4 70 B11R1.167 CC1=C(C(C)C)C=C(Br)C=C1 MC443582 [0,1,0,0,1,0|2,0,0]=4 71 B11R1.167 CN(C)C1=NC(Br)=CN=C1N CS21261 [0,1,0,0,1,0|2,0,0]=4 72 B13R1.893 CC(C)COC1=CC(Br)=CN=C1N MC112201 [0,1,0,0,0,1|2,0,0]=4 73 B11R2.20 C1=CC2=C(CCCC2)N=C1 CS13407 [1,0,0,1,0,0|1,0,0]=3 74 B11R2.20 C1=CC2=C(CCNC2)N=C1 CS14841 [1,0,0,1,0,0|2,0,0]=4 75 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC104317 [1,0,0,1,0,0|2,0,0]=4 76 B11R2.20 C1=CC2=C(CNCC2)N=C1 MC431486 [1,0,0,1,0,0|2,0,0]=4 77 B11R2.20 C1=CN=C2NCCCC2=C1 CS20465 [1,0,0,1,0,0|2,0,0]=4 78 B11R2.20 C1=NC2=C(CCCC2)N=C1 CS14173 [1,0,0,1,0,0|0,0,0]=2 79 B11R2.55 BrC1=NC=CC=C1C2CC2 CS16928 [1,0,0,1,0,0|2,0,0]=4 80 B11R2.55 ClC1=NC=CC=C1C2CC2 MC430628 [1,0,0,1,0,0|2,0,0]=4 81 B11R2.1 OC1CCC2=CC=CN=C21 CS10573 [0,0,0,1,1,0|2,0,0]=4 82 B11R2.36 CN1CCC2=C(C1)NC=N2 MC442761 [0,0,0,1,1,0|1,0,1]=4 83 B11R2.36 NC1CCC2=NNC=C2C1 MC442576 [0,0,0,1,1,0|2,0,0]=4 84 B11R2.36 OC1CCC2=NC=CN2C1 MC107553 [0,0,0,1,1,0|2,0,0]=4 85 B11R2.51 CN1N=CC=C1C2CC2N MC107885 [0,0,0,1,1,0|2,0,0]=4 86 B13R2.3587 BrC1=NC=CC=C1OCC2CC2 MC106247 [0,0,0,1,0,1|2,0,0]=4 87 B13R2.621 COC1=NC=CC=C1OC2CC2 MC445622 [0,1,0,1,0,0|2,0,0]=4 88 B13R2.155 CC1CNC2=NC=C(Br)C=C2C1 MC107784 [0,1,0,1,0,0|2,0,0]=4 89 B13R2.155 CN1CCC2=C(C=C(N)C=N2)C1 CS13950 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.33 CC1=C(CCCl)SC=N1 MC445666 [1,0,0,0,1,0|2,0,0]=4 91 B9R1.33 CC1=C(CCO)SC=N1 CS19563 [1,0,0,0,1,0|2,0,0]=4 92 B9R1.33 CCOC1=C(C)N=CO1 MC20466 [1,0,0,0,1,0|2,0,0]=4 93 B9R1.6 CC(=O)C1=NC=CN=C1 CS19346 [1,0,0,0,1,0|1,0,1]=4 94 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [1,0,0,0,1,0|1,0,0]=3 95 B9R1.6 CC(N)C1=NC=CC=C1 CS15370 [1,0,0,0,1,0|2,0,0]=4 96 B9R1.6 CC(N)C1=NC=CC=C1 CS20271 [1,0,0,0,1,0|2,0,0]=4 97 B9R1.6 CC(N)C1=NC=CN=C1 CS12997 [1,0,0,0,1,0|1,0,0]=3 98 B9R1.6 CC(O)C1=NC=CC=C1 CS20801 [1,0,0,0,1,0|2,0,0]=4 99 B9R1.6 CC(O)C1=NC=CC=C1 MC20310 [1,0,0,0,1,0|2,0,0]=4 100 B9R1.13 CC(Br)CC1=NC=CS1 MC106092 [1,0,0,0,1,0|2,0,0]=4 101 B9R1.13 CC(C)CC1=NC=CS1 CS10134 [1,0,0,0,1,0|1,0,0]=3 102 B9R1.13 CC(C)CC1=NNC=N1 MC106297 [1,0,0,0,1,0|1,0,0]=3 103 B9R1.13 CC(N)CC1=CC=CO1 MC431346 [1,0,0,0,1,0|2,0,0]=4 104 B9R1.41 CC(C)C1=C(N)NC=N1 MC106289 [0,0,0,0,2,0|1,0,1]=4 105 B9R1.41 CC(C)C1=NC=CN1C CS20757 [0,0,0,0,2,0|1,0,0]=3