0 B9R1.13 CC(Br)CC1=NC=CS1 MC106092 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.13 CC(C)CC1=NC=CS1 CS10134 [0,0,0,0,0,0|0,0,0]=0 2 B9R1.13 CC(C)CC1=NNC=N1 MC106297 [0,0,0,0,0,0|2,0,0]=2 3 B9R1.13 CC(N)CC1=CC=CO1 MC431346 [0,0,0,0,0,0|2,1,0]=3 4 B9R1.13 O=C(O)CC1=CC=CS1 CS23025 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.13 O=C(O)CC1=NC=CN1 MC106507 [0,0,0,0,0,0|3,0,1]=4 6 B8R1.8 CCCC1=NC=CN1 CS14621 [1,0,0,0,0,0|1,0,0]=2 7 B8R1.8 COCC1=NC=CN1 MC104489 [1,0,0,0,0,0|2,0,0]=3 8 B8R1.8 N#CCC1=CC=CS1 CS22998 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.8 N#CCC1=NC=CS1 MC103865 [1,0,0,0,0,0|1,0,1]=3 10 B8R1.8 NCCC1=CNC=N1 CS18264 [1,0,0,0,0,0|3,0,0]=4 11 B8R1.8 NCCC1=NC=NN1 MC431308 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 NCCC1=NC=NN1 MC431309 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 NCCC1=NN=CS1 MC103870 [1,0,0,0,0,0|2,0,0]=3 14 B8R1.8 NCCC1=NN=CS1 MC104483 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.8 NCCC1=NOC=N1 MC107767 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 NNCC1=CC=CS1 MC104512 [1,0,0,0,0,0|3,0,0]=4 17 B8R1.8 O=CCC1=CC=CS1 CS17423 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.8 OCCC1=CC=CS1 CS14939 [1,0,0,0,0,0|2,0,0]=3 19 B8R1.8 OCCC1=CNC=N1 CS18186 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.8 OCCC1=NC=CN1 MC431716 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.27 NC(CO)CC1=CNC=N1 MC437757 [0,1,0,0,0,0|3,0,0]=4 22 B10R1.54 CC(=O)NC1=NC(Br)=CS1 MC442186 [0,1,0,0,0,0|2,0,1]=4 23 B10R1.54 CC(=O)NC1=NC(Cl)=CS1 MC110684 [0,1,0,0,0,0|2,0,1]=4 24 B10R1.54 CC(=O)NC1=NC=C(Br)S1 CS18448 [0,1,0,0,0,0|2,0,1]=4 25 B10R1.54 CC(C)CC1=NC=C(Br)S1 MC102513 [0,1,0,0,0,0|0,0,0]=1 26 B10R1.54 CC(C)CC1=NNC(S)=N1 MC106298 [0,1,0,0,0,0|2,0,0]=3 27 B10R1.54 CC(C)CN1C=C(N)C=N1 MC107231 [0,1,0,0,0,0|2,0,0]=3 28 B10R1.54 CC(C)OC1=NC(Br)=CS1 MC430476 [0,1,0,0,0,0|1,0,0]=2 29 B10R1.54 O=C(O)CC1=NC(Cl)=CS1 MC102205 [0,1,0,0,0,0|2,0,1]=4 30 B10R1.54 O=C(O)CC1=NC=C(Cl)S1 MC103590 [0,1,0,0,0,0|2,0,1]=4 31 B10R1.281 FC(F)(F)CC1=NC=CN1 MC429314 [0,1,0,0,0,0|3,0,0]=4 32 B10R2.2 NC1CC2=NC=CN2C1 MC443604 [0,0,0,1,0,0|2,0,0]=3 33 B10R2.2 OC1CC2=NC=CN2C1 MC102514 [0,0,0,1,0,0|2,0,0]=3 34 B10R2.2 OC1CC2=NC=CN2C1 MC431226 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.7 CC(=O)C1=CC=CS1 CS19387 [0,0,0,0,1,0|2,0,1]=4 36 B8R1.7 CC(=O)C1=NC=CO1 CS20443 [0,0,0,0,1,0|1,1,1]=4 37 B8R1.7 CC(=O)C1=NC=CS1 CS22755 [0,0,0,0,1,0|1,0,1]=3 38 B8R1.7 CC(C)C1=CC=CO1 MC428131 [0,0,0,0,1,0|1,1,0]=3 39 B8R1.7 CC(C)C1=NC=CN1 CS21624 [0,0,0,0,1,0|1,0,0]=2 40 B8R1.7 CC(N)C1=NC=CS1 MC446644 [0,0,0,0,1,0|1,0,0]=2 41 B8R1.7 CC(O)C1=CN=CS1 MC116219 [0,0,0,0,1,0|3,0,0]=4 42 B8R1.7 N=C(N)C1=NC=CS1 CS15638 [0,0,0,0,1,0|2,0,1]=4 43 B8R1.7 O=C(O)C1=NC=CS1 MC425486 [0,0,0,0,1,0|2,0,1]=4 44 B10R1.18 CC(=O)CC1=CC=CN=C1 MC102696 [0,0,0,0,0,1|2,0,1]=4 45 B10R1.18 CC(=O)CC1=NC=CC=C1 CS20802 [0,0,0,0,0,1|2,0,1]=4 46 B10R1.18 CC(=O)CC1=NC=CC=N1 MC429990 [0,0,0,0,0,1|2,0,1]=4 47 B10R1.18 CC(Br)CC1=CC=CC=C1 MC41813 [0,0,0,0,0,1|3,0,0]=4 48 B10R1.18 CC(C)NC1=CC=CC=C1 CS11787 [0,0,0,0,0,1|3,0,0]=4 49 B10R1.18 CC(C)OC1=CC=CC=C1 MC41360 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.66 CC(C)CCN1C=CC=N1 MC107613 [0,0,0,0,0,1|2,0,0]=3 51 B10R1.66 CC(C)NCC1=CSC=C1 MC112514 [0,0,0,0,0,1|3,0,0]=4 52 B7R1.1 BrCC1=CC=CS1 MC111260 [2,0,0,0,0,0|2,0,0]=4 53 B7R1.1 BrCC1=NC=CO1 MC106296 [2,0,0,0,0,0|1,1,0]=4 54 B7R1.1 BrCC1=NC=CS1 CS12090 [2,0,0,0,0,0|1,0,0]=3 55 B7R1.1 Br[Zn]c1nccs1 MC121340 [2,0,0,0,0,0|2,0,0]=4 56 B7R1.1 CCC1=NC=CN1 CS21533 [2,0,0,0,0,0|1,0,0]=3 57 B7R1.1 CCN1C=CC=N1 CS20681 [2,0,0,0,0,0|2,0,0]=4 58 B7R1.1 CNC1=NC=CS1 CS12598 [2,0,0,0,0,0|1,0,0]=3 59 B7R1.1 COC1=NC=CS1 CS22597 [2,0,0,0,0,0|1,0,0]=3 60 B7R1.1 CSC1=NC=CO1 CS17723 [2,0,0,0,0,0|1,1,0]=4 61 B7R1.1 ClCC1=NC=CN1 CS20896 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.1 N#CC1=NC=CS1 CS12219 [2,0,0,0,0,0|1,0,1]=4 63 B7R1.1 NCC1=CC=CS1 CS22783 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.1 NCC1=NC=CS1 MC444202 [2,0,0,0,0,0|1,0,0]=3 65 B7R1.1 OCC1=NC=CS1 MC113802 [2,0,0,0,0,0|1,0,0]=3 66 B7R1.1 OCC1=NN=CS1 MC107600 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.7 CCCC1=CSC(N)=N1 CS13157 [1,1,0,0,0,0|2,0,0]=4 68 B9R1.7 COCC1=NN=C(N)S1 CS13593 [1,1,0,0,0,0|2,0,0]=4 69 B9R1.7 N#CCC1=NC=C(Br)S1 MC104140 [1,1,0,0,0,0|1,0,1]=4 70 B9R1.7 N#CCC1=NC=C(Cl)S1 MC104141 [1,1,0,0,0,0|1,0,1]=4 71 B9R1.7 NCCC1=CC=C(Br)S1 MC114876 [1,1,0,0,0,0|2,0,0]=4 72 B9R1.7 O=CCC1=NC=C(Br)S1 MC104142 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.11 O=C(CBr)C1=NC=CS1 CS21325 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.12 CCOCC1=CC=CO1 CS17009 [1,1,0,0,0,0|1,1,0]=4 75 B9R1.19 CC(C)(N)C1=NOC=C1 MC107739 [0,1,0,0,1,0|2,0,0]=4 76 B9R1.19 C[Si](C)(C)C1=NC=CS1 MC425032 [0,1,0,0,1,0|0,1,0]=3 77 B9R1.35 CC(C)C1=CN=C(Br)S1 CS14917 [0,1,0,0,1,0|2,0,0]=4 78 B9R1.35 CC(C)C1=CSC(Br)=N1 MC432525 [0,1,0,0,1,0|2,0,0]=4 79 B9R1.35 CC(C)C1=CSC(N)=N1 MC443375 [0,1,0,0,1,0|2,0,0]=4 80 B9R1.35 CC(C)N1C=C(Br)C=N1 MC425593 [0,1,0,0,1,0|2,0,0]=4 81 B9R1.35 CC(C)N1C=C(N)C=N1 CS22541 [0,1,0,0,1,0|2,0,0]=4 82 B9R1.35 FC(F)C1=NC=C(Br)S1 MC104138 [0,1,0,0,1,0|2,0,0]=4 83 B9R1.41 CC(C)C1=C(N)NC=N1 MC106289 [0,1,0,0,1,0|2,0,0]=4 84 B9R1.41 CC(C)C1=NC=CN1C CS20757 [0,1,0,0,1,0|1,0,0]=3 85 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 MC433485 [0,1,0,0,0,1|2,0,0]=4 86 B11R1.20 CC(C)OC1=CN=C(Br)C=C1 MC443766 [0,1,0,0,0,1|2,0,0]=4 87 B11R1.20 CC(C)OC1=CN=C(Cl)C=N1 CS17390 [0,1,0,0,0,1|2,0,0]=4 88 B11R1.20 CC(C)OC1=NC=C(Br)C=N1 MC443695 [0,1,0,0,0,1|2,0,0]=4 89 B11R1.36 CC(C)C(=O)C1=CC=CN=C1 MC429968 [0,1,0,0,0,1|1,0,1]=4 90 B11R1.86 CC(C)OC1=NC=CC=C1Cl MC103348 [0,1,0,0,0,1|2,0,0]=4 91 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 MC443308 [0,1,0,0,0,1|2,0,0]=4 92 B11R1.157 CC(C)OC1=CC(Cl)=NC=N1 CS12778 [0,1,0,0,0,1|2,0,0]=4 93 B11R1.157 CC(C)OC1=CC=CC(Br)=N1 MC431254 [0,1,0,0,0,1|2,0,0]=4 94 B11R1.30 CCOC(=O)CC1=NC=CS1 CS13253 [0,2,0,0,0,0|1,0,1]=4 95 B11R1.39 COC(=O)CC1=NC(Cl)=CS1 MC105142 [0,2,0,0,0,0|1,0,1]=4 96 B11R1.39 COC(=O)CC1=NC=C(Cl)S1 MC105132 [0,2,0,0,0,0|1,0,1]=4 97 B9R1.6 CC(C)C1=NC=CC=C1 CS21621 [0,0,1,1,0,0|1,0,1]=4 98 B9R2.2 C1=CN(C2CC2)N=C1 CS16850 [1,0,0,1,0,0|2,0,0]=4 99 B9R2.3 C1=NN2CCCC2=C1 CS12798 [1,0,0,1,0,0|2,0,0]=4 100 B11R2.36 OC1CCC2=NC=CN2C1 MC107553 [0,0,0,1,0,1|2,0,0]=4 101 B9R1.8 CCCC1=CC=CN=C1 CS22402 [1,0,0,0,0,1|1,0,0]=3 102 B9R1.8 CCOC1=NC=CC=C1 CS18732 [1,0,0,0,0,1|2,0,0]=4 103 B9R1.8 CCOC1=NC=CN=C1 CS21524 [1,0,0,0,0,1|2,0,0]=4 104 B9R1.8 CNCC1=CC=CN=C1 CS18846 [1,0,0,0,0,1|2,0,0]=4 105 B9R1.8 COCC1=NC=CC=C1 CS20909 [1,0,0,0,0,1|2,0,0]=4 106 B9R1.8 NCCC1=CC=CN=C1 CS21892 [1,0,0,0,0,1|2,0,0]=4 107 B9R1.8 NCCC1=NC=CC=C1 CS14064 [1,0,0,0,0,1|2,0,0]=4 108 B9R1.8 NCCC1=NC=NC=C1 MC104796 [1,0,0,0,0,1|2,0,0]=4