0 B11R1.37 CCC1=C(CO)C=C(Br)C=C1 C13891 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.37 CCC1=C(OC)C=CC(Br)=C1 C74737 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.37 COC1=C(C#N)N=C(C)C=C1 F50991 [0,0,0,0,0,0|3,0,1]=4 3 B11R1.37 COC1=C(CBr)C=CC(Br)=N1 D80185 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.37 COC1=C(CN)C=CC(Br)=N1 N10742 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.37 COC1=C(CN)C=CC(Br)=N1 Y11170 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.37 COC1=C(CO)C=C(C)C=C1 A12781 [0,0,0,0,0,0|4,0,0]=4 7 B11R1.37 COC1=C(CO)C=CC(Br)=N1 N10745 [0,0,0,0,0,0|4,0,0]=4 8 B11R1.37 COC1=CC(Br)=CN=C1OC 82178 [0,0,0,0,0,0|4,0,0]=4 9 B11R1.37 COC1=CC(C)=CN=C1OC C71876 [0,0,0,0,0,0|3,0,0]=3 10 B11R1.37 COC1=NC=C(Br)C=C1CO P11193 [0,0,0,0,0,0|4,0,0]=4 11 B11R1.37 OCC1=C(CO)N=C(Cl)C=C1 N12730 [0,0,0,0,0,0|4,0,0]=4 12 B11R1.37 OCC1=CC(Br)=CN=C1CO F30570 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.20 COC1=C(CBr)C=CC=N1 55281 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.20 COC1=C(CN)N=CC=C1 AC6429 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.20 COC1=C(CN)N=CC=C1 D94536 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.20 COC1=C(CO)N=CC=C1 F17518 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.20 COC1=CC=CN=C1CBr O10505 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.20 COC1=CC=CN=C1CCl 60117 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.20 COC1=NC=CC=C1CN 37576 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.20 COC1=NC=CN=C1NN C74005 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.20 COC1=NC=CN=C1OC 21131 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.20 OCC1=CC=CN=C1CO 75308 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.20 OCC1=CC=CN=C1CO S11918 [1,0,0,0,0,0|3,0,0]=4 24 B10R1.25 CC1=C(C#N)N=CC(Cl)=N1 BL010403 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.25 CC1=C(CN)C=CC(N)=N1 D93406 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.25 CC1=C(CO)C=CC(F)=N1 C76920 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.25 CC1=CC(Br)=C(CCl)N=C1 D96976 [1,0,0,0,0,0|3,0,0]=4 28 B10R1.25 CC1=CC(Br)=C(CN)N=C1 24111 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.25 CC1=CC(Br)=C(CO)N=C1 D96975 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.25 CC1=CC(Br)=CN=C1CCl 79673 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.25 CC1=CC(Br)=CN=C1CN 24121 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.25 CC1=CC(C)=C(CBr)C=C1 24686 [1,0,0,0,0,0|3,0,0]=4 33 B10R1.25 CC1=CC(Cl)=CN=C1CN 24127 [1,0,0,0,0,0|3,0,0]=4 34 B10R1.25 CC1=CC=C(CBr)C(Br)=N1 C77257 [1,0,0,0,0,0|3,0,0]=4 35 B10R1.25 CC1=CC=C(CO)C(Cl)=N1 W17836 [1,0,0,0,0,0|3,0,0]=4 36 B10R1.25 CC1=CN=C(CN)C(C)=C1 D83303 [1,0,0,0,0,0|2,0,0]=3 37 B10R1.25 CC1=NC(C)=C(CO)C=C1 F12480 [1,0,0,0,0,0|2,0,0]=3 38 B10R1.25 CC1=NC(N)=CN=C1C#N BL010402 [1,0,0,0,0,0|2,0,1]=4 39 B10R1.25 CCC1=NC=C(Br)C=C1N 38360 [1,0,0,0,0,0|3,0,0]=4 40 B10R1.25 CCC1=NC=C(Cl)N=C1Cl C72268 [1,0,0,0,0,0|2,0,0]=3 41 B10R1.25 COC1=C(C)N=C(Br)C=C1 W15448 [1,0,0,0,0,0|3,0,0]=4 42 B10R1.25 COC1=C(C)N=C(C)N=C1 O11463 [1,0,0,0,0,0|3,0,0]=4 43 B10R1.25 COC1=C(Cl)C=C(C)C=N1 C71882 [1,0,0,0,0,0|3,0,0]=4 44 B10R1.25 COC1=C(N)N=C(C)C=C1 84162 [1,0,0,0,0,0|3,0,0]=4 45 B10R1.25 COC1=C(N)N=C(Cl)C=N1 C91504 [1,0,0,0,0,0|3,0,0]=4 46 B10R1.25 COC1=CC=C(C)N=C1Cl C73850 [1,0,0,0,0,0|3,0,0]=4 47 B10R1.25 COC1=CC=C(C)N=C1I F30133 [1,0,0,0,0,0|3,0,0]=4 48 B10R1.25 COC1=NC=C(Cl)N=C1Cl W12644 [1,0,0,0,0,0|3,0,0]=4 49 B10R1.25 COC1=NC=C(F)C=C1C C76918 [1,0,0,0,0,0|3,0,0]=4 50 B10R1.25 CSC1=NC=C(Cl)N=C1Cl 38290 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.30 CC1=CC(CBr)=C(C)C=C1 CL9683 [1,0,0,0,0,0|3,0,0]=4 52 B10R1.30 CC1=CC=C(C)C(CO)=N1 C16468 [1,0,0,0,0,0|2,0,0]=3 53 B10R1.30 CC1=CC=C(O)C(CCl)=N1 C12327 [1,0,0,0,0,0|3,0,0]=4 54 B10R1.30 CC1=CN=C(C)C(C#N)=N1 W18439 [1,0,0,0,0,0|1,0,1]=3 55 B10R1.30 CC1=CN=C(Cl)C(C#N)=N1 BL010407 [1,0,0,0,0,0|2,0,1]=4 56 B10R1.30 CC1=NC(CCl)=C(Cl)C=C1 D83946 [1,0,0,0,0,0|3,0,0]=4 57 B10R1.30 CC1=NC(CO)=C(Br)C=C1 D72095 [1,0,0,0,0,0|3,0,0]=4 58 B10R1.30 CC1=NC=C(Br)C=C1CN AC1104 [1,0,0,0,0,0|3,0,0]=4 59 B10R1.30 CCC1=C(O)C=CC(C)=N1 T71674 [1,0,0,0,0,0|2,0,0]=3 60 B10R1.30 CCC1=NC(C)=CN=C1C F20894 [1,0,0,0,0,0|0,0,0]=1 61 B10R1.30 COC1=CC(Br)=CN=C1C 82190 [1,0,0,0,0,0|3,0,0]=4 62 B10R1.30 COC1=NC(Br)=CN=C1Br I11275 [1,0,0,0,0,0|3,0,0]=4 63 B10R1.30 COC1=NC(Br)=CN=C1I 27639 [1,0,0,0,0,0|3,0,0]=4 64 B10R1.30 COC1=NC(C)=CN=C1C Y10564 [1,0,0,0,0,0|1,0,0]=2 65 B10R1.30 COC1=NC(C)=CN=C1N C77014 [1,0,0,0,0,0|2,0,0]=3 66 B10R1.30 COC1=NC(N)=CN=C1Br D82133 [1,0,0,0,0,0|3,0,0]=4 67 B10R1.30 NC1=C(CO)N=C(Br)C=N1 51254 [1,0,0,0,0,0|3,0,0]=4 68 B12R1.78 CCC1=C(OC)C=CC(OC)=C1 Y14613 [0,1,0,0,0,0|3,0,0]=4 69 B12R1.112 CCOC1=NC=C(Br)C=C1OC C71954 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.234 COC1=NC(C)=CC(C)=C1CN W18605 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.448 COC1=C(OC)N=C(Br)C(C)=C1 C76031 [0,1,0,0,0,0|3,0,0]=4 72 B12R2.24 BrC1=CN=C2CCNCC2=C1 21007 [0,0,0,1,0,0|3,0,0]=4 73 B12R2.24 BrC1=CN=C2CCNCC2=C1 P19234 [0,0,0,1,0,0|3,0,0]=4 74 B12R2.24 BrC1=CN=C2CCNCC2=C1 SC2711 [0,0,0,1,0,0|3,0,0]=4 75 B12R2.24 BrC1=CN=C2NCCCC2=C1 51323 [0,0,0,1,0,0|3,0,0]=4 76 B12R2.24 BrC1=NC2=C(C=C1)CCCC2 D82621 [0,0,0,1,0,0|2,0,0]=3 77 B12R2.24 BrC1=NC2=C(C=C1)NCCC2 C71819 [0,0,0,1,0,0|3,0,0]=4 78 B12R2.24 CC1=CC2=C(C=C1)CCCC2 I10992 [0,0,0,1,0,0|2,0,0]=3 79 B12R2.24 CC1=CC2=C(C=C1)CCCN2 26368 [0,0,0,1,0,0|3,0,0]=4 80 B12R2.24 CC1=CC2=C(C=C1)CCCN2 H11139 [0,0,0,1,0,0|3,0,0]=4 81 B12R2.24 CC1=CC2=C(C=C1)CCCO2 Y13225 [0,0,0,1,0,0|3,0,0]=4 82 B12R2.24 CC1=CC2=C(C=C1)CCOC2 N14607 [0,0,0,1,0,0|3,0,0]=4 83 B12R2.24 CC1=CC=C2NCCNC2=N1 C72059 [0,0,0,1,0,0|3,0,0]=4 84 B12R2.24 CC1=NC=C2CNCCC2=N1 94632 [0,0,0,1,0,0|3,0,0]=4 85 B12R2.24 ClC1=CC2=C(C=C1)CCCC2 N11405 [0,0,0,1,0,0|3,0,0]=4 86 B12R2.24 ClC1=NC2=C(C=C1)CCCC2 51056 [0,0,0,1,0,0|2,0,0]=3 87 B12R2.24 ClC1=NC2=C(C=C1)CCCN2 C72207 [0,0,0,1,0,0|3,0,0]=4 88 B12R2.24 ClC1=NC2=C(C=C1)CNCC2 F11138 [0,0,0,1,0,0|3,0,0]=4 89 B12R2.24 ClC1=NC2=C(CCCC2)N=C1 F50761 [0,0,0,1,0,0|1,0,0]=2 90 B12R2.24 FC1=CC2=C(C=C1)CCCC2 N10855 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 NC1=CC2=C(CCOC2)N=C1 72372 [0,0,0,1,0,0|3,0,0]=4 92 B12R2.24 NC1=CN=C2CCCCC2=C1 F30818 [0,0,0,1,0,0|2,0,0]=3 93 B12R2.24 NC1=CN=C2CCNCC2=C1 67454 [0,0,0,1,0,0|3,0,0]=4 94 B12R2.24 NC1=CN=C2CCNCC2=C1 FD7018 [0,0,0,1,0,0|3,0,0]=4 95 B12R2.24 OC1=CN=C2CCNCC2=C1 S11487 [0,0,0,1,0,0|3,0,0]=4 96 B12R2.24 OC1=CN=C2CCNCC2=C1 SC1341 [0,0,0,1,0,0|3,0,0]=4 97 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N N10991 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.132 CC1=CC2=C(C=C1)CC[C@@H]2N Y12626 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.132 O[C@H]1CCC2=C1N=C(Br)C=C2 D79272 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.132 O[C@H]1CCC2=C1N=C(Cl)C=C2 N11829 [0,0,0,1,0,0|3,0,0]=4 101 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N10990 [0,0,0,1,0,0|3,0,0]=4 102 B12R2.612 CC1=CC2=C(C=C1)[C@@H](N)CC2 N12981 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.612 CC1=CC2=C(C=C1)[C@@H](O)CC2 72141 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.612 CN1CCC2=CC(Br)=CN=C21 S10257 [0,0,0,1,0,0|3,0,0]=4 105 B12R2.612 O[C@H]1CCC2=CC(Br)=CN=C21 81985 [0,0,0,1,0,0|3,0,0]=4 106 B9R1.15 C#CC1=NC=CN=C1C 79091 [2,0,0,0,0,0|0,0,2]=4 107 B9R1.15 CC1=C(CBr)C=CC=N1 F16424 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.15 CC1=C(CCl)C=CC=N1 24248 [2,0,0,0,0,0|2,0,0]=4 109 B9R1.15 CC1=CC=CN=C1CN C72913 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.15 CC1=NC=CC=C1CN 72802 [2,0,0,0,0,0|2,0,0]=4 111 B9R1.15 CC1=NC=CC=C1CN AB7634 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.15 CC1=NC=CN=C1C=O 30985 [2,0,0,0,0,0|1,0,1]=4 113 B9R1.15 CC1=NC=CN=C1CCl P11784 [2,0,0,0,0,0|1,0,0]=3 114 B9R1.15 CC1=NC=CN=C1CN E70300 [2,0,0,0,0,0|1,0,0]=3 115 B9R1.15 CC1=NC=CN=C1CN P19746 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.15 CC1=NC=CN=C1CO P10784 [2,0,0,0,0,0|1,0,0]=3 117 B9R1.15 CC1=NC=CN=C1NN BL010270 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.15 CCC1=C(Br)C=CC=N1 P11641 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.15 CCC1=C(O)C=CC=N1 71246 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.15 CCC1=CC=CN=C1Br D80252 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.15 CCC1=CC=CN=C1N 55791 [2,0,0,0,0,0|2,0,0]=4 122 B9R1.15 CCC1=NC=CN=C1N RB3385 [2,0,0,0,0,0|1,0,0]=3 123 B9R1.15 CCC1=NC=CNC1=O S12194 [2,0,0,0,0,0|1,0,1]=4 124 B9R1.15 CNC1=NC=CN=C1N 25161 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.15 COC1=NC=CC=C1C C73664 [2,0,0,0,0,0|2,0,0]=4 126 B9R1.15 COC1=NC=CN=C1Br 27717 [2,0,0,0,0,0|2,0,0]=4 127 B9R1.15 NCC1=NC=CN=C1N AB3037 [2,0,0,0,0,0|2,0,0]=4 128 B9R1.15 OCC1=NC=CN=C1Cl 80497 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.1 BrCC1=CN=C(Br)C=N1 88780 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.1 C#CC1=NC=C(C)N=C1 79090 [2,0,0,0,0,0|0,0,2]=4 131 B9R1.1 CC1=CN=C(C=O)C=N1 36020 [2,0,0,0,0,0|1,0,1]=4 132 B9R1.1 CC1=CN=C(CCl)C=C1 A10650 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.1 CC1=CN=C(CCl)C=C1 C16351 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.1 CC1=CN=C(CCl)C=N1 38701 [2,0,0,0,0,0|1,0,0]=3 135 B9R1.1 CC1=CN=C(CN)C=N1 P17860 [2,0,0,0,0,0|1,0,0]=3 136 B9R1.1 CC1=CN=C(CO)C=N1 26144 [2,0,0,0,0,0|1,0,0]=3 137 B9R1.1 CC1=NC=C(CCl)C=C1 CL0057 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.1 CC1=NC=C(CN)C=C1 72232 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.1 CCC1=CN=C(Br)C=C1 CS1557 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.1 CCC1=CN=C(Cl)C=C1 72594 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.1 CCC1=CN=C(N)C=N1 27455 [2,0,0,0,0,0|1,0,0]=3 142 B9R1.1 CCC1=CN=C(O)C=C1 25325 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.1 CCC1=NC=C(Br)C=C1 26547 [2,0,0,0,0,0|2,0,0]=4 144 B9R1.1 CCC1=NC=C(Cl)C=C1 C71513 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.1 CCC1=NC=C(N)C=C1 C72111 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.1 CNC1=CN=C(C)C=C1 D83365 [2,0,0,0,0,0|2,0,0]=4 147 B9R1.1 CNC1=NC=C(C)N=C1 AC2495 [2,0,0,0,0,0|1,0,0]=3 148 B9R1.1 COC1=NC=C(N)N=C1 24331 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.1 NCC1=CN=C(Cl)C=N1 24129 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.1 NCC1=CN=C(Cl)C=N1 W13762 [2,0,0,0,0,0|2,0,0]=4 151 B9R1.69 CC1=C(C)N=C(Br)C=N1 Y10500 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.69 CC1=C(C)N=C(Cl)C=N1 Y10049 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.69 CC1=C(C)N=C(N)C=C1 C75720 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.69 CC1=C(C)N=C(O)C=N1 C75680 [2,0,0,0,0,0|1,0,0]=3 155 B9R1.69 CC1=C(N)N=CC(Cl)=N1 P10837 [2,0,0,0,0,0|2,0,0]=4 156 B9R1.69 CC1=CC(Br)=C(C)N=C1 P10110 [2,0,0,0,0,0|2,0,0]=4 157 B9R1.69 CC1=CC(O)=CN=C1C W19117 [2,0,0,0,0,0|2,0,0]=4 158 B9R1.69 CC1=CN=C(C)C(I)=N1 W18438 [2,0,0,0,0,0|1,0,0]=3 159 B9R1.69 CC1=CN=C(C)C(N)=C1 P11581 [2,0,0,0,0,0|2,0,0]=4 160 B9R1.69 CC1=CN=C(C)C(N)=N1 26305 [2,0,0,0,0,0|1,0,0]=3 161 B9R1.69 CC1=CN=C(Cl)C(Br)=N1 D79794 [2,0,0,0,0,0|2,0,0]=4 162 B9R1.69 CC1=CN=C(Cl)C(Cl)=N1 O10568 [2,0,0,0,0,0|2,0,0]=4 163 B9R1.69 CC1=CN=C(Cl)C(N)=N1 N13219 [2,0,0,0,0,0|2,0,0]=4 164 B9R1.69 CC1=CN=C(I)C(C)=C1 72078 [2,0,0,0,0,0|2,0,0]=4 165 B9R1.69 CC1=CN=C(I)C(C)=N1 D71968 [2,0,0,0,0,0|1,0,0]=3 166 B9R1.69 CC1=CN=C(N)C(C)=C1 S10186 [2,0,0,0,0,0|2,0,0]=4 167 B9R1.69 CC1=NC(Cl)=CN=C1Br 24195 [2,0,0,0,0,0|2,0,0]=4 168 B9R1.69 CC1=NC(N)=CN=C1Br 26530 [2,0,0,0,0,0|2,0,0]=4 169 B9R1.69 CC1=NC(N)=CN=C1Cl P10838 [2,0,0,0,0,0|2,0,0]=4 170 B9R1.69 CC1=NC(O)=CN=C1Br E70426 [2,0,0,0,0,0|2,0,0]=4 171 B9R1.69 CC1=NC=C(Cl)N=C1Cl 84118 [2,0,0,0,0,0|2,0,0]=4 172 B9R1.69 CC1=NC=C(N)N=C1Br Y10498 [2,0,0,0,0,0|2,0,0]=4 173 B9R1.2 CC1=CC=CC(CN)=N1 W10146 [2,0,0,0,0,0|2,0,0]=4 174 B9R1.2 CC1=CN=CC(C#N)=N1 O11613 [2,0,0,0,0,0|1,0,1]=4 175 B9R1.2 CC1=CN=CC(C=O)=N1 72066 [2,0,0,0,0,0|1,0,1]=4 176 B9R1.2 CC1=CN=CC(CN)=C1 72799 [2,0,0,0,0,0|2,0,0]=4 177 B9R1.2 CCC1=CC(Br)=CN=C1 25835 [2,0,0,0,0,0|2,0,0]=4 178 B9R1.2 CCC1=CC=CC(Br)=N1 O10692 [2,0,0,0,0,0|2,0,0]=4 179 B9R1.2 CCC1=NC(C)=CN=C1 D84033 [2,0,0,0,0,0|0,0,0]=2 180 B9R1.2 CNC1=NC(C)=CN=C1 74811 [2,0,0,0,0,0|1,0,0]=3 181 B9R1.2 COC1=NC(N)=CN=C1 24364 [2,0,0,0,0,0|2,0,0]=4 182 B9R1.2 CSC1=NC(N)=CN=C1 W17367 [2,0,0,0,0,0|2,0,0]=4 183 B9R1.2 NCC1=CN=CC(Cl)=N1 P10985 [2,0,0,0,0,0|2,0,0]=4 184 B9R1.2 OCC1=CN=CC(Br)=N1 N13194 [2,0,0,0,0,0|2,0,0]=4 185 B11R1.41 COC1=C(CCO)N=CC=C1 52931 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.53 CC(C)C1=CC=CN=C1CCl D80268 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.53 CC(C)C1=CC=CN=C1CO D83406 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11921 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y11922 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12590 [1,1,0,0,0,0|2,0,0]=4 191 B11R1.53 CCC1=C([C@H](C)N)C=CC=C1 Y12977 [1,1,0,0,0,0|2,0,0]=4 192 B11R1.53 COC1=NC=CC=C1[C@H](C)N Y12492 [1,1,0,0,0,0|2,0,0]=4 193 B11R1.53 COC1=NC=CC=C1[C@H](C)O CS1968 [1,1,0,0,0,0|2,0,0]=4 194 B11R1.81 CCOC1=C(C)N=C(N)C=C1 O11421 [1,1,0,0,0,0|2,0,0]=4 195 B11R1.166 CC1=CC(C)=C([C@H](C)N)C=C1 Y11487 [1,1,0,0,0,0|2,0,0]=4 196 B11R1.166 CC1=CN=C(C(=O)O)C(C)=N1 27738 [1,1,0,0,0,0|1,0,1]=4 197 B11R1.166 CC1=CN=C(C(C)C)C(Cl)=N1 W17934 [1,1,0,0,0,0|1,0,0]=3 198 B11R1.277 CC1=NC(C)=C(C)N=C1C=O C15170 [1,1,0,0,0,0|1,0,1]=4 199 B11R1.277 CC1=NC(C)=C(C)N=C1CBr S11280 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.277 CCC1=NC(C)=C(C)N=C1C C73333 [1,1,0,0,0,0|0,0,0]=2 201 B11R1.278 CC1=CN=C(CO)C(C)=C1Cl C72854 [1,1,0,0,0,0|2,0,0]=4 202 B11R1.278 CC1=CN=C(CO)C(C)=C1O D80824 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.279 COC1=CN=C(CN)C(C)=C1 D83514 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.279 COC1=NC=C(CO)C=C1C 72276 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.167 CC(=O)C1=NC(C)=CN=C1C D82518 [1,1,0,0,0,0|0,0,1]=3 206 B11R1.167 CC(C)C1=C(O)N=CC(Br)=N1 W13512 [1,1,0,0,0,0|2,0,0]=4 207 B11R1.167 CC1=CC([C@H](C)N)=C(C)C=C1 N13078 [1,1,0,0,0,0|2,0,0]=4 208 B11R1.167 CC1=CN=C(C)C(C(=O)O)=N1 36485 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.182 CCOC1=C(N)N=CC(Br)=N1 25162 [1,1,0,0,0,0|2,0,0]=4 210 B11R1.280 CNC1=NC(CN)=CC=C1C 72583 [1,1,0,0,0,0|2,0,0]=4 211 B11R1.183 CCCC1=C(CO)SC(C)=N1 W12142 [0,1,0,0,1,0|2,0,0]=4 212 B11R2.1 N[C@H]1CCC2=CC=CN=C21 H10539 [1,0,0,1,0,0|2,0,0]=4 213 B11R2.1 N[C@H]1CCC2=NC=CC=C21 87179 [1,0,0,1,0,0|2,0,0]=4 214 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79495 [1,0,0,1,0,0|2,0,0]=4 215 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 87180 [1,0,0,1,0,0|2,0,0]=4 216 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79493 [1,0,0,1,0,0|2,0,0]=4 217 B11R2.1 O[C@H]1CCC2=C1C=CC=N2 D79494 [1,0,0,1,0,0|2,0,0]=4 218 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D86160 [1,0,0,1,0,0|2,0,0]=4 219 B11R2.1 O[C@H]1CCC2=CC=CN=C21 E72697 [1,0,0,1,0,0|2,0,0]=4 220 B11R2.20 C1=CN=C2CCCNC2=C1 30555 [1,0,0,1,0,0|2,0,0]=4 221 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [1,0,0,1,0,0|2,0,0]=4 222 B11R2.20 C1=CN=C2OCCCC2=C1 AT22008 [1,0,0,1,0,0|2,0,0]=4 223 B11R2.20 C1=NC=C2CCCCC2=N1 F16382 [1,0,0,1,0,0|2,0,0]=4 224 B11R2.36 BrC1=CN=C2CCCC2=C1 81986 [1,0,0,1,0,0|2,0,0]=4 225 B11R2.36 CC1=CC2=C(C=C1)CCC2 Y11729 [1,0,0,1,0,0|2,0,0]=4 226 B11R2.10 CC1=CN2CCNCC2=N1 53157 [0,0,0,1,1,0|2,0,0]=4 227 B11R2.10 CC1=NC2=C(CCNC2)N1 36639 [0,0,0,1,1,0|1,0,1]=4 228 B11R2.10 CC1=NC2=C(CNCC2)N1 C71507 [0,0,0,1,1,0|1,0,1]=4 229 B11R2.10 CC1=NN2CCNCC2=N1 W12671 [0,0,0,1,1,0|2,0,0]=4 230 B11R2.10 ClC1=NC2=C(CCCC2)S1 W18639 [0,0,0,1,1,0|2,0,0]=4 231 B11R2.10 NC1=CC2=C(CCCC2)S1 C71806 [0,0,0,1,1,0|2,0,0]=4 232 B11R2.10 SC1=NC2=C(CCCC2)S1 W10681 [0,0,0,1,1,0|2,0,0]=4 233 B11R2.191 ClCC1=NNC2=C1CCC2 72890 [0,0,0,1,1,0|2,0,0]=4 234 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N F16916 [0,1,0,1,0,0|2,0,0]=4 235 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N I11947 [0,1,0,1,0,0|2,0,0]=4 236 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N I11948 [0,1,0,1,0,0|2,0,0]=4 237 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N N10490 [0,1,0,1,0,0|2,0,0]=4 238 B13R2.162 CC1=CC2=C(C=C1)CCC[C@@H]2N N13165 [0,1,0,1,0,0|2,0,0]=4 239 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11951 [0,1,0,1,0,0|2,0,0]=4 240 B13R2.5179 CC1=CC2=C(C=C1)[C@@H](N)CCC2 I11952 [0,1,0,1,0,0|2,0,0]=4 241 B13R2.5179 O[C@H]1CCCC2=CC(Br)=CN=C21 D78988 [0,1,0,1,0,0|2,0,0]=4 242 B13R2.57 N#CC1=CN=C2CCCCC2=C1 D96463 [0,1,0,1,0,0|1,0,1]=4 243 B13R2.57 N#CC1=NC2=C(C=C1)CCCC2 F17116 [0,1,0,1,0,0|1,0,1]=4 244 B13R2.57 OCC1=CC2=C(C=C1)CCCC2 N14351 [0,1,0,1,0,0|2,0,0]=4 245 B13R2.328 CC1=CC(C)=C2CCCNC2=N1 AC2028 [0,1,0,1,0,0|2,0,0]=4 246 B13R2.328 ClC1=CC(Cl)=NC2=C1CCCC2 39107 [0,1,0,1,0,0|2,0,0]=4 247 B13R2.155 CN1CCC2=NC=C(N)C=C2C1 34303 [0,1,0,1,0,0|2,0,0]=4 248 B13R2.369 O=C1NC2=C(CCCC2)N=C1Br D96656 [0,1,0,1,0,0|1,0,1]=4 249 B9R1.22 CC1=NC(C)=C(CN)S1 72289 [1,0,0,0,1,0|2,0,0]=4 250 B9R1.22 CC1=NC(C)=C(CO)S1 71413 [1,0,0,0,1,0|2,0,0]=4 251 B9R1.22 CC1=NC(CO)=C(C)O1 S11075 [1,0,0,0,1,0|2,0,0]=4 252 B9R1.22 CC1=NN(C)C(CCl)=C1 W10400 [1,0,0,0,1,0|2,0,0]=4 253 B9R1.22 CC1=NN(C)C(CN)=C1 P10233 [1,0,0,0,1,0|2,0,0]=4 254 B9R1.132 CC1=C(CO)N=CN1C 70857 [1,0,0,0,1,0|2,0,0]=4 255 B9R1.132 CCN1N=CC(N)=C1C D79758 [1,0,0,0,1,0|2,0,0]=4 256 B9R1.27 CC1=C(CO)N(C)N=C1 F30434 [1,0,0,0,1,0|2,0,0]=4 257 B9R1.27 CCC1=C(Br)C=NN1C P19807 [1,0,0,0,1,0|2,0,0]=4