0 B11R1.86 CC(=O)NC1=CC=CN=C1C Y5364 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.86 CC(C)NC1=NC=CC=C1N 8159AD [0,0,0,0,0,0|3,0,0]=3 2 B11R1.86 CC(C)OC1=C(I)C=CC=N1 9447AE [0,0,0,0,0,0|3,0,0]=3 3 B11R1.86 CC(C)OC1=CC=CC=C1F Y3731 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.86 CC(C)OC1=CC=CC=C1N W5162 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.86 CC(C)SC1=CC=CC=C1N V7063 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.86 CC1=CC=CC=C1OC(C)C V5254 [0,0,0,0,0,0|3,0,0]=3 7 B11R1.86 CC1=NC=CN=C1OC(C)C 6045AC [0,0,0,0,0,0|1,0,0]=1 8 B11R1.86 CN(C)CC1=CC=CC=C1N 9984AH [0,0,0,0,0,0|4,0,0]=4 9 B10R1.4 CC1=CC=CC=C1CCN S579 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.4 CCCC1=CC=NC=C1C 1078AE [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 CCCC1=NC=CN=C1C 5716AL [1,0,0,0,0,0|0,0,0]=1 12 B10R1.4 CCNC1=NC=CN=C1N W9368 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.4 CCOC1=C(Br)C=CC=N1 8550AB [1,0,0,0,0,0|3,0,0]=4 14 B10R1.4 CCOC1=C(I)C=CC=N1 9446AE [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CCOC1=C(N)N=CC=C1 7078AC [1,0,0,0,0,0|3,0,0]=4 16 B10R1.4 CCOC1=NC=CN=C1N W9234 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.4 CNCC1=C(C)N=CC=C1 5583AJ [1,0,0,0,0,0|2,0,0]=3 18 B10R1.18 CC(=O)CC1=NC=CC=C1 W7508 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 CC(Br)CC1=CC=CC=C1 0794AB [1,0,0,0,0,0|3,0,0]=4 20 B10R1.18 CC(C)OC1=NC=CC=C1 Z0239 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.18 CC(N)CC1=CC=CN=C1 V7434 [1,0,0,0,0,0|2,0,0]=3 22 B12R1.75 CC(C)OC1=C(C#N)C=CC=N1 9243AE [0,1,0,0,0,0|2,0,1]=4 23 B12R1.75 COC1=CC=CC=C1CC(C)O Y7646 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.233 CC1=CN=C(OC(C)C)C(Br)=C1 V7642 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.371 CNC(C)CC1=NC=CC=C1C 3717AF [0,1,0,0,0,0|1,0,0]=2 26 B12R2.95 CC1(N)CC2=C(C=CC=C2)C1 1784AJ [0,0,0,1,0,0|3,0,0]=4 27 B10R1.61 CC(=O)C1=CC=CN=C1C Y7806 [0,0,0,0,1,0|2,0,1]=4 28 B10R1.61 CC(=O)C1=NC=CN=C1Cl 3776AA [0,0,0,0,1,0|2,0,1]=4 29 B10R1.61 CC(O)C1=C(Cl)N=CC=C1 5872AA [0,0,0,0,1,0|3,0,0]=4 30 B10R1.61 CC1=NC=CN=C1C(=O)O W6160 [0,0,0,0,1,0|2,0,1]=4 31 B10R1.61 CN(C)C1=NC=CN=C1N W9238 [0,0,0,0,1,0|2,0,0]=3 32 B12R1.125 CC1=C(OCC(C)O)C=CC=C1 4280AL [0,0,0,0,0,1|3,0,0]=4 33 B9R1.8 BrCCC1=NC=CC=C1 W8132 [2,0,0,0,0,0|2,0,0]=4 34 B9R1.8 CCCC1=NC=CC=C1 C946 [2,0,0,0,0,0|1,0,0]=3 35 B9R1.8 CCCC1=NC=CN=C1 6087AD [2,0,0,0,0,0|0,0,0]=2 36 B9R1.8 CCNC1=CC=CC=N1 5047AL [2,0,0,0,0,0|2,0,0]=4 37 B9R1.8 CNCC1=CN=CC=C1 7435AH [2,0,0,0,0,0|2,0,0]=4 38 B9R1.8 COCC1=CC=CN=C1 5231AH [2,0,0,0,0,0|2,0,0]=4 39 B9R1.8 COCC1=NC=CC=C1 V2195 [2,0,0,0,0,0|2,0,0]=4 40 B9R1.8 ClCCC1=NC=CC=C1 W3687 [2,0,0,0,0,0|2,0,0]=4 41 B9R1.8 N#CCC1=NC=CN=C1 7112AB [2,0,0,0,0,0|1,0,1]=4 42 B9R1.8 NCCC1=CC=CN=C1 9756AD [2,0,0,0,0,0|2,0,0]=4 43 B9R1.8 NCCC1=CC=CN=C1 W8702 [2,0,0,0,0,0|2,0,0]=4 44 B9R1.8 OCCC1=CC=CN=C1 Y9667 [2,0,0,0,0,0|2,0,0]=4 45 B9R1.15 CC1=C(CCl)N=CC=C1 6035AB [2,0,0,0,0,0|2,0,0]=4 46 B9R1.15 CC1=C(CN)N=CC=C1 7725AA [2,0,0,0,0,0|2,0,0]=4 47 B9R1.15 CC1=C(CO)N=CC=C1 9578AB [2,0,0,0,0,0|2,0,0]=4 48 B9R1.15 CC1=CC=CN=C1CCl Z4758 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.15 CC1=CC=CN=C1CN Y7623 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.15 CC1=NC=CN=C1C=O 2084AB [2,0,0,0,0,0|1,0,1]=4 51 B9R1.15 CCC1=C(Br)C=CC=N1 5014AB [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 CCC1=CC=CN=C1Cl 6759AC [2,0,0,0,0,0|2,0,0]=4 53 B9R1.15 CCC1=CC=CN=C1N 5897AB [2,0,0,0,0,0|2,0,0]=4 54 B9R1.15 CCC1=NC=CN=C1Cl 9678AB [2,0,0,0,0,0|1,0,0]=3 55 B9R1.15 COC1=CC=CN=C1C 5357AH [2,0,0,0,0,0|2,0,0]=4 56 B9R1.15 COC1=NC=CN=C1Br Z3980 [2,0,0,0,0,0|2,0,0]=4 57 B9R1.15 COC1=NC=CN=C1I V6756 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.15 COC1=NC=CN=C1N W6434 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 CSC1=NC=CN=C1C Z2583 [2,0,0,0,0,0|1,0,0]=3 60 B9R1.15 NCC1=NC=CN=C1Cl W8381 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.15 NCC1=NC=CN=C1Cl W9640 [2,0,0,0,0,0|2,0,0]=4 62 B11R1.17 CCCOC1=NC=CC=C1Br V7645 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.17 CCCOC1=NC=CC=C1I W9297 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.182 CCOC1=NC(Br)=CN=C1N W8373 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.222 CCC(N)C1=NC=CC=C1C 7392AC [1,1,0,0,0,0|1,0,0]=3 66 B11R1.222 COC(=O)C1=NC=CN=C1C Z4722 [1,1,0,0,0,0|1,0,1]=4 67 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 V4230 [1,1,0,0,0,0|2,0,0]=4 68 B11R1.20 CC(C)CC1=CC=C(N)C=C1 3122AB [1,1,0,0,0,0|2,0,0]=4 69 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 Y6445 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.36 CC(C)C(=O)C1=NC=CC=C1 V6832 [1,1,0,0,0,0|1,0,1]=4 71 B11R1.36 CC(C)C(N)C1=CC=CN=C1 1772AJ [1,1,0,0,0,0|1,0,0]=3 72 B11R1.36 CC(C)C(N)C1=NC=CC=C1 1771AJ [1,1,0,0,0,0|1,0,0]=3 73 B11R1.36 CC(C)C(O)C1=CC=CC=C1 9149AB [1,1,0,0,0,0|2,0,0]=4 74 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 7205AB [1,1,0,0,0,0|2,0,0]=4 75 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 W7886 [1,1,0,0,0,0|2,0,0]=4 76 B11R1.40 CNC(C)CC1=NC=CC=C1 5554AE [1,1,0,0,0,0|1,0,0]=3 77 B11R1.40 COC(=O)CC1=CN=CC=N1 4720AB [1,1,0,0,0,0|1,0,1]=4 78 B11R1.157 CC(C)NC1=NC=CC(Br)=C1 Z8259 [1,1,0,0,0,0|2,0,0]=4 79 B11R1.509 CC(C)(C)CC1=CC=CC=C1 0255AA [1,1,0,0,0,0|2,0,0]=4 80 B11R1.87 CC(C)(O)C1=CC=CN=C1F Y9020 [0,1,0,0,1,0|2,0,0]=4 81 B11R1.167 CN(C)C1=NC(Br)=CN=C1N W9251 [0,1,0,0,1,0|2,0,0]=4 82 B13R1.90 COC1=CC=CC=C1CNC(C)C 9269AE [0,1,0,0,0,1|2,0,0]=4 83 B13R1.380 CCOC1=NC=CC=C1OC(C)C Z9671 [0,2,0,0,0,0|2,0,0]=4 84 B13R1.3089 COC1=NC=C(Cl)C=C1OC(C)C Z8688 [0,2,0,0,0,0|2,0,0]=4 85 B11R1.561 CC1=CC=CC(C)(C)CC1=O 5390AL [0,0,1,1,0,0|2,0,0]=4 86 B11R2.20 C1=CC2=C(CCCN2)N=C1 6807AA [1,0,0,1,0,0|2,0,0]=4 87 B11R2.20 C1=CC2=C(CCNC2)N=C1 4253AB [1,0,0,1,0,0|2,0,0]=4 88 B11R2.20 C1=CC2=C(CCNC2)N=C1 X9281 [1,0,0,1,0,0|2,0,0]=4 89 B11R2.20 C1=CC2=C(CNCC2)N=C1 4315AB [1,0,0,1,0,0|2,0,0]=4 90 B11R2.20 C1=CC2=C(N=C1)NCCC2 Z4118 [1,0,0,1,0,0|2,0,0]=4 91 B11R2.1 OC1CCC2=CC=CN=C21 W6188 [0,0,0,1,1,0|2,0,0]=4 92 B11R2.36 CN1CCC2=C(C1)SC=N2 2192AB [0,0,0,1,1,0|2,0,0]=4 93 B13R2.3587 IC1=CC=CN=C1OCC2CC2 Y4035 [0,0,0,1,0,1|2,0,0]=4 94 B9R1.33 CC1=NC=CN1CCN X9064 [1,0,0,0,1,0|2,0,0]=4 95 B9R1.33 CCCN1N=CC=C1N 1309AE [1,0,0,0,1,0|2,0,0]=4 96 B9R1.33 CN1C=CN=C1CCN Y4448 [1,0,0,0,1,0|2,0,0]=4 97 B9R1.6 CC(Br)C1=NC=CN=C1 5526AC [1,0,0,0,1,0|1,0,0]=3 98 B9R1.6 CC(C)C1=NC=CC=C1 W7610 [1,0,0,0,1,0|1,0,0]=3 99 B9R1.6 CC(N)C1=CC=CC=N1 4915AJ [1,0,0,0,1,0|2,0,0]=4 100 B9R1.6 CC(N)C1=NC=CN=C1 Z2224 [1,0,0,0,1,0|1,0,0]=3 101 B9R1.6 CC(O)C1=NC=CC=C1 Z2356 [1,0,0,0,1,0|2,0,0]=4 102 B9R1.6 CN(C)C1=CN=CC=C1 9643AA [1,0,0,0,1,0|2,0,0]=4 103 B9R1.6 C[C@@H](N)C1=NC=CC=C1 W6374 [1,0,0,0,1,0|2,0,0]=4 104 B9R1.6 C[C@@H](O)C1=CN=CC=C1 1829AC [1,0,0,0,1,0|2,0,0]=4 105 B9R1.6 C[C@H](N)C1=NC=CC=C1 5348AB [1,0,0,0,1,0|2,0,0]=4 106 B9R1.6 C[C@H](N)C1=NC=CC=C1 W5086 [1,0,0,0,1,0|2,0,0]=4 107 B9R1.6 C[C@H](O)C1=CN=CC=C1 7054AB [1,0,0,0,1,0|2,0,0]=4 108 B9R1.6 C[C@H](O)C1=NC=CC=C1 8783AB [1,0,0,0,1,0|2,0,0]=4 109 B9R1.13 CC(C)CC1=NNC=C1 5899AJ [1,0,0,0,1,0|1,0,0]=3 110 B9R1.13 CC(N)CN1C=CC=N1 3672AF [1,0,0,0,1,0|2,0,0]=4 111 B9R1.13 CN(C)CC1=CC=CN1 4514AD [1,0,0,0,1,0|1,0,1]=4