0 B10R1.20 CNC1=CC=CC=C1CN PH016819 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.20 CNC1=CC=CN=C1NC PH018784 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.20 COC1=CC=CN=C1C=O CDS007985 [0,0,0,0,0,0|3,0,1]=4 3 B10R1.20 COC1=NC=CC=C1C#N CBR01155 [0,0,0,0,0,0|3,0,1]=4 4 B10R1.20 CSC1=C(C=CC=C1)CCl OTV000976 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.20 CSC1=CC=CC=C1CO PH002490 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.15 C#CC1=NC=CC=C1C CDS023892 [1,0,0,0,0,0|1,0,2]=4 7 B9R1.15 CC1=C(N=CC=C1)CCl PH010818 [1,0,0,0,0,0|2,0,0]=3 8 B9R1.15 CC1=CC=CN=C1CN CDS004048 [1,0,0,0,0,0|2,0,0]=3 9 B9R1.15 CC1=NC=CC=C1CBr MNO000159 [1,0,0,0,0,0|2,0,0]=3 10 B9R1.15 CC1=NC=CC=C1CCl CBR02441 [1,0,0,0,0,0|2,0,0]=3 11 B9R1.15 CCC1=NC=NC=C1Br CDS023071 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.15 CC[N+]1=C(N=CC=C1)N S140686 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.15 CNC1=NC=CC=C1Cl T169315 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.15 COC1=C(CC=CC1)C S864811 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.15 COC1=NC=CC=C1N CDS002836 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 COC1=NC=CN=C1I SYX00132 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.15 ClC1=C(C=CC=N1)CBr CDS022464 [1,0,0,0,0,0|3,0,0]=4 18 B9R1.15 NC1=NC=CC=C1CO ADE000265 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 OCC1=NC=CC=C1O R578177 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.37 CCC1=CC(=CC=C1CBr)Br PH016077 [0,1,0,0,0,0|3,0,0]=4 21 B11R1.37 COC1=C(N=C(C=C1)C)OC ADE000526 [0,1,0,0,0,0|3,0,0]=4 22 B11R1.37 COC1=C(N=C(C=C1)Cl)OC ADE000503 [0,1,0,0,0,0|3,0,0]=4 23 B11R1.37 COC1=C(N=C(C=C1)O)OC ADE001430 [0,1,0,0,0,0|3,0,0]=4 24 B11R1.37 COC1=C(N=CC(=C1)I)OC ADE000536 [0,1,0,0,0,0|3,0,0]=4 25 B11R1.37 COC1=CC(=CN=C1CO)Br ADE000508 [0,1,0,0,0,0|3,0,0]=4 26 B11R1.37 COC1=CC(=CN=C1OC)Br ADE000471 [0,1,0,0,0,0|3,0,0]=4 27 B11R1.37 COC1=CC(=CN=C1OC)Cl ADE000172 [0,1,0,0,0,0|3,0,0]=4 28 B11R1.37 COC1=CC(=CN=C1OC)O ADE000711 [0,1,0,0,0,0|3,0,0]=4 29 B11R1.37 COC1=CC=C(N=C1OC)I ADE000466 [0,1,0,0,0,0|3,0,0]=4 30 B11R1.37 COC1=NC=C(C=C1CO)Cl ADE000185 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.41 BrCCC1=CC=CC=C1CBr S809802 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.41 CCC1=CC=CC=C1CCN PH016764 [0,1,0,0,0,0|2,0,0]=3 33 B11R1.41 CCC1=CC=CC=C1CCO T175994 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.41 CCNC1=NC=CC=C1OC VBP00022 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.41 CCOC1=CC=CN=C1NC VBP00005 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.41 COC1=CC=CC=C1CSC S697931 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.41 COCC1=CC=CC=C1CN CDS002378 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.53 CC(Br)C1=CC=CC=C1CBr L480363 [0,1,0,0,0,0|3,0,0]=4 39 B11R1.53 COC1=CC=CC=C1C(C)N CDS019753 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.53 COC1=CC=CC=C1C(C)N R733547 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.53 COC1=NC=CN=C1C(=O)O CDS021111 [0,1,0,0,0,0|2,0,1]=4 42 B11R1.265 COC1=NC=CC(=C1OC)I ADE000175 [0,1,0,0,0,0|3,0,0]=4 43 B9R0.40 C(=C/N=C(\CCC)/OC)\C T173800 [0,0,1,0,0,0|2,0,1]=4 44 B11R2.20 C1=CC2=C(C=C1)CNCC2 R750530 [0,0,0,1,0,0|3,0,0]=4 45 B11R2.20 C1=CN=C2CCCNC2=C1 T316458 [0,0,0,1,0,0|2,0,0]=3 46 B11R2.20 C1=CN=C2NCCCC2=C1 CDS022647 [0,0,0,1,0,0|2,0,0]=3 47 B11R2.20 C1=CN=C2OCCNC2=C1 ADE001247 [0,0,0,1,0,0|3,0,0]=4 48 B11R2.20 C1=CN=C2OCCOC2=C1 ADE000017 [0,0,0,1,0,0|3,0,0]=4 49 B9R1.14 C(=O)C1=NC=NN1CC CBR00310 [0,0,0,0,1,0|2,0,1]=4 50 B9R1.14 CCN1C=CN=C1CO CBR00306 [0,0,0,0,1,0|2,0,0]=3 51 B9R1.14 CCN1C=NN=C1CCl CBR02161 [0,0,0,0,1,0|3,0,0]=4 52 B8R1.2 CSC1=NC=CN=N1 SYX00362 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.2 NCC1=CN=CC=C1 S763780 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.2 NCC1=CN=CC=N1 CDS009594 [2,0,0,0,0,0|1,0,0]=3 55 B8R1.2 O=CC1=CN=CC=N1 CDS008587 [2,0,0,0,0,0|1,0,1]=4 56 B8R1.5 CC1=NC=CN=C1Cl CDS013629 [2,0,0,0,0,0|1,0,0]=3 57 B8R1.5 CC1=NC=CN=C1S PH014228 [2,0,0,0,0,0|1,0,0]=3 58 B10R1.2 CC1=C(C=CN=C1CO)Cl T137049 [1,1,0,0,0,0|2,0,0]=4 59 B10R1.4 CC1=CC=CC=C1CCN CDS007535 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.4 CC1=CC=CN=C1CCN CDS009037 [1,1,0,0,0,0|1,0,0]=3 61 B10R1.4 CC1=NC=CC=C1CNN PH019261 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.4 CCNC1=CC=CC=C1C S571016 [1,1,0,0,0,0|2,0,0]=4 63 B10R1.4 CCOC1=NC=CC=C1I ADE000294 [1,1,0,0,0,0|2,0,0]=4 64 B10R1.4 CNCC1=CC=CN=C1Cl CBR00860 [1,1,0,0,0,0|2,0,0]=4 65 B10R1.30 CCC1=C(C=CC(=N1)Cl)C CBR01609 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.61 CC(=O)C1=NC=CN=C1Cl PHB00229 [1,1,0,0,0,0|1,0,1]=4 67 B10R1.61 CC1=CC=CC=C1C(C)N CDS004159 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.61 CC1=CC=CN=C1C(C)N CBR00418 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.245 COC1=C(C=CN=C1C)Cl CDS024135 [1,1,0,0,0,0|2,0,0]=4 70 B10R1.5 CC/N=C/1\SC=CN1CC PH007487 [0,1,0,0,1,0|2,0,0]=4 71 B10R1.5 CCC1=NC=CN1CCCl CBR02381 [0,1,0,0,1,0|1,0,0]=3 72 B10R1.5 CCCN1C=CN=C1CN CBR01646 [0,1,0,0,1,0|2,0,0]=4 73 B10R1.5 CCCN1C=CN=C1CN CDS022832 [0,1,0,0,1,0|2,0,0]=4 74 B10R1.5 CCN1C=NN=C1CCN CBR01131 [0,1,0,0,1,0|2,0,0]=4 75 B10R1.5 CCN1C=NN=C1CNC CBR00648 [0,1,0,0,1,0|2,0,0]=4 76 B10R1.5 CCN1C=NN=C1CNC PH019334 [0,1,0,0,1,0|2,0,0]=4 77 B10R1.5 CCN1N=CC=C1CNC CDS014690 [0,1,0,0,1,0|1,0,0]=3 78 B10R1.32 CCN1N=C(N=C1OC)Cl CBR01476 [0,1,0,0,1,0|2,0,0]=4 79 B10R1.39 CC(C)N1C=CN=C1CCl CBR01401 [0,1,0,0,1,0|2,0,0]=4 80 B10R1.39 CC(C)N1C=CN=C1CN CBR01572 [0,1,0,0,1,0|2,0,0]=4 81 B10R1.39 CCN1C=NN=C1C(C)N CBR02352 [0,1,0,0,1,0|2,0,0]=4 82 B10R1.39 CCN1N=CN=C1C(C)N CBR00506 [0,1,0,0,1,0|1,0,0]=3 83 B10R1.257 CCC1=NNC(=C1CC)N CBR00386 [0,1,0,0,1,0|1,0,0]=3 84 B12R1.75 CNC1=NC=CC=C1OC(C)C PH014643 [0,2,0,0,0,0|2,0,0]=4 85 B12R1.121 CCC1=CC=CC=C1NCCO S361496 [0,2,0,0,0,0|2,0,0]=4 86 B12R1.169 BrCCC1=CC=CC=C1CCBr R580341 [0,2,0,0,0,0|2,0,0]=4 87 B12R1.169 CCOC1=CC=CC=C1OCC S430218 [0,2,0,0,0,0|2,0,0]=4 88 B10R2.32 NC1CCC2=C1C=CS2 CDS009121 [0,0,0,1,1,0|2,0,0]=4 89 B12R2.24 BrC1=CC2=C(C=C1)CCCC2 T263664 [0,1,0,1,0,0|2,0,0]=4 90 B12R2.24 BrC1=CN=C2CCNCC2=C1 PHB00087 [0,1,0,1,0,0|2,0,0]=4 91 B12R2.24 CC1=CC2=C(CCCC2)N=C1 R279013 [0,1,0,1,0,0|1,0,0]=3 92 B12R2.24 CC1=CC=C2CCCNC2=N1 CDS020000 [0,1,0,1,0,0|2,0,0]=4 93 B12R2.24 FC1=CN=C2OCCCC2=C1 ADE000007 [0,1,0,1,0,0|2,0,0]=4 94 B12R2.24 IC1=CC=C2OCCCC2=N1 ADE000008 [0,1,0,1,0,0|2,0,0]=4 95 B12R2.24 IC1=CN=C2OCCCC2=C1 ADE001365 [0,1,0,1,0,0|2,0,0]=4 96 B12R2.24 NC1=CN=C2OCCCC2=C1 ADE001373 [0,1,0,1,0,0|2,0,0]=4 97 B12R2.24 OC1=CN=C2OCCCC2=C1 ADE001447 [0,1,0,1,0,0|2,0,0]=4 98 B12R2.24 OC1CCC2=C(C1)C=CC=C2 TMT00302 [0,1,0,1,0,0|2,0,0]=4 99 B12R2.24 SC1=NC2=C(C=N1)CCCC2 S215570 [0,1,0,1,0,0|2,0,0]=4 100 B12R2.1081 BrC1=CC=CC2=C1CCCC2 CDS007742 [0,1,0,1,0,0|2,0,0]=4 101 B12R2.1081 NC1=CC=CC2=C1CCCC2 T281816 [0,1,0,1,0,0|2,0,0]=4 102 B12R2.1081 O=C1CCCC2=C1C=CC=N2 PH009807 [0,1,0,1,0,0|1,0,1]=4 103 B12R2.1081 OC1=NC=NC2=C1CCCC2 R263044 [0,1,0,1,0,0|2,0,0]=4 104 B12R2.1081 OC1CCCC2=CC=CN=C12 CDS003538 [0,1,0,1,0,0|1,0,0]=3 105 B12R2.1081 SC1=NC=NC2=C1CCCC2 T121177 [0,1,0,1,0,0|2,0,0]=4 106 B8R1.11 CC1=C(C=CO1)CN CDS019848 [1,0,0,0,1,0|2,0,0]=4 107 B8R1.11 CC1=C(NC=N1)CN CBR01683 [1,0,0,0,1,0|1,0,1]=4 108 B8R1.11 CC1=C(SC=C1)CN CDS015230 [1,0,0,0,1,0|2,0,0]=4 109 B8R1.11 CC1=NON=C1CN CDS002297 [1,0,0,0,1,0|2,0,0]=4 110 B8R1.11 CCN1C=CN=C1Br CBR01693 [1,0,0,0,1,0|2,0,0]=4 111 B8R1.11 CCN1N=CN=C1Br CBR01775 [1,0,0,0,1,0|2,0,0]=4 112 B8R1.11 CCN1N=CN=C1N CBR00782 [1,0,0,0,1,0|2,0,0]=4 113 B8R1.11 CN1C=CN=C1CN CDS002678 [1,0,0,0,1,0|2,0,0]=4 114 B8R1.11 CN1C=CN=C1CO CDS014909 [1,0,0,0,1,0|2,0,0]=4 115 B8R1.11 CN1N=CC=C1CBr CDS023901 [1,0,0,0,1,0|2,0,0]=4