0 B9R1.12 CCNCC1=CC=CO1 C77903 [0,0,0,0,0,0|1,0,0]=1 1 B9R1.12 COCCN1C=CC=C1 W16108 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.12 ClCCCN1C=CC=N1 72556 [0,0,0,0,0,0|4,0,0]=4 3 B9R1.12 NCCCC1=NC=CN1 F10427 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.12 OCCCC1=CNC=N1 12540 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.12 OCCCC1=CSC=C1 32572 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.8 BrCCC1=CSC=C1 F20032 [1,0,0,0,0,0|3,0,0]=4 7 B8R1.8 BrCCN1C=CC=N1 71462 [1,0,0,0,0,0|3,0,0]=4 8 B8R1.8 CCCC1=NNC=C1 C16284 [1,0,0,0,0,0|2,0,0]=3 9 B8R1.8 CCOC1=NNC=C1 AT14799 [1,0,0,0,0,0|2,0,0]=3 10 B8R1.8 CNCC1=CC=NO1 27030 [1,0,0,0,0,0|2,0,0]=3 11 B8R1.8 CNCC1=CNC=N1 AT15460 [1,0,0,0,0,0|3,0,0]=4 12 B8R1.8 CNCC1=COC=C1 AC5678 [1,0,0,0,0,0|3,0,0]=4 13 B8R1.8 CNCC1=NNC=C1 33350 [1,0,0,0,0,0|3,0,0]=4 14 B8R1.8 COCC1=CN=CN1 AC8003 [1,0,0,0,0,0|2,0,0]=3 15 B8R1.8 COCC1=CNN=C1 P18875 [1,0,0,0,0,0|3,0,0]=4 16 B8R1.8 NCCC1=CC=CN1 31556 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.8 NCCC1=CC=CN1 F10331 [1,0,0,0,0,0|2,0,0]=3 18 B8R1.8 NCCC1=CSC=C1 P10092 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.8 NCCC1=NC=CN1 F18351 [1,0,0,0,0,0|3,0,0]=4 20 B8R1.8 NCCC1=NC=CS1 70863 [1,0,0,0,0,0|2,1,0]=4 21 B8R1.8 NCCC1=NNC=C1 AC1362 [1,0,0,0,0,0|3,0,0]=4 22 B8R1.8 NCCN1C=CC=N1 28356 [1,0,0,0,0,0|3,0,0]=4 23 B8R1.8 OCCC1=CC=CN1 AB10351 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.8 OCCC1=CC=CO1 W10532 [1,0,0,0,0,0|1,0,0]=2 25 B8R1.8 OCCC1=COC=C1 D93026 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.8 OCCC1=NNC=C1 22974 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.11 CCOC(=O)C1=NC=CS1 24386 [0,1,0,0,0,0|1,1,1]=4 28 B10R1.16 CC1=CC=C(CCCN)S1 71973 [0,1,0,0,0,0|2,1,0]=4 29 B10R1.16 CCCCC1=CC=C(Br)S1 W19333 [0,1,0,0,0,0|1,1,0]=3 30 B10R1.16 CCOCC1=NN=C(N)O1 W19065 [0,1,0,0,0,0|2,0,0]=3 31 B10R1.29 CCOCN1C=CN=C1I P10274 [0,1,0,0,0,0|3,0,0]=4 32 B10R2.7 C1=CC2=C(CCCC2)N1 P10023 [0,0,0,1,0,0|2,0,0]=3 33 B10R2.7 C1=CC2=C(CCCC2)S1 AC8430 [0,0,0,1,0,0|1,1,0]=3 34 B10R2.7 C1=CC2=C(CCNC2)N1 32435 [0,0,0,1,0,0|3,0,0]=4 35 B10R2.7 C1=CC2=C(CCNC2)O1 31880 [0,0,0,1,0,0|2,0,0]=3 36 B10R2.7 C1=CC2=C(CNCC2)S1 SC1001 [0,0,0,1,0,0|1,1,0]=3 37 B10R2.7 C1=CN2CCNCC2=C1 50896 [0,0,0,1,0,0|2,0,0]=3 38 B10R2.7 C1=NC2=C(CCNC2)S1 D82657 [0,0,0,1,0,0|3,0,0]=4 39 B10R2.7 C1=NC2=C(CNCC2)S1 70887 [0,0,0,1,0,0|2,1,0]=4 40 B10R2.7 C1=NC=C2CNCCN12 26983 [0,0,0,1,0,0|3,0,0]=4 41 B10R2.7 C1=NN2CCCCC2=C1 P18739 [0,0,0,1,0,0|3,0,0]=4 42 B10R2.7 C1=NN2CCNCC2=C1 P16090 [0,0,0,1,0,0|3,0,0]=4 43 B10R2.7 C1=NN2CCNCC2=C1 W18650 [0,0,0,1,0,0|3,0,0]=4 44 B10R2.7 C1=NNC2=C1CCNC2 51366 [0,0,0,1,0,0|3,0,0]=4 45 B10R2.7 C1=NNC2=C1CCNC2 SC2391 [0,0,0,1,0,0|3,0,0]=4 46 B10R2.136 C1=CC(C2CCC2)=NN1 F53512 [0,0,0,1,0,0|3,0,0]=4 47 B10R2.136 C1=CNC(C2CCC2)=N1 52509 [0,0,0,1,0,0|3,0,0]=4 48 B10R1.17 CCCCC1=CC=NC=C1 BL000376 [0,0,0,0,0,1|2,0,0]=3 49 B10R1.17 CCCOC1=CC=CC=C1 C75927 [0,0,0,0,0,1|3,0,0]=4 50 B10R1.17 CCNCC1=CC=CC=C1 D77748 [0,0,0,0,0,1|2,0,0]=3 51 B10R1.17 CNCCC1=CC=CN=C1 AR1271 [0,0,0,0,0,1|3,0,0]=4 52 B10R1.17 CNNCC1=CC=CC=C1 30192 [0,0,0,0,0,1|3,0,0]=4 53 B10R1.17 CNNCC1=CC=CN=C1 30189 [0,0,0,0,0,1|3,0,0]=4 54 B10R1.17 ICCCC1=CC=CC=C1 AC6098 [0,0,0,0,0,1|3,0,0]=4 55 B10R1.17 NCCCC1=CC=CN=C1 31799 [0,0,0,0,0,1|3,0,0]=4 56 B10R1.17 NCCCC1=CC=NC=C1 S12068 [0,0,0,0,0,1|3,0,0]=4 57 B10R1.17 SCCCC1=CC=NC=C1 F18251 [0,0,0,0,0,1|3,0,0]=4 58 B7R0.7 C=C=CC(=O)OCC T71774 [1,0,1,0,0,0|0,0,2]=4 59 B7R1.1 BrCC1=CC=NO1 33595 [2,0,0,0,0,0|2,0,0]=4 60 B7R1.1 BrCC1=CN=CO1 92893 [2,0,0,0,0,0|2,0,0]=4 61 B7R1.1 BrCC1=NC=CO1 92941 [2,0,0,0,0,0|2,0,0]=4 62 B7R1.1 CCC1=NN=CO1 C10407 [2,0,0,0,0,0|2,0,0]=4 63 B7R1.1 CNC1=NC=CO1 71780 [2,0,0,0,0,0|2,0,0]=4 64 B7R1.1 COC1=NNC=C1 D79536 [2,0,0,0,0,0|2,0,0]=4 65 B7R1.1 CSC1=NC=CO1 O10533 [2,0,0,0,0,0|1,1,0]=4 66 B7R1.1 ClCC1=CC=CS1 79790 [2,0,0,0,0,0|1,1,0]=4 67 B7R1.1 ClCC1=CC=NO1 33348 [2,0,0,0,0,0|2,0,0]=4 68 B7R1.1 ClCC1=CN=CO1 RB3366 [2,0,0,0,0,0|2,0,0]=4 69 B7R1.1 NCC1=CC=CN1 25931 [2,0,0,0,0,0|2,0,0]=4 70 B7R1.1 NCC1=CC=NO1 33343 [2,0,0,0,0,0|2,0,0]=4 71 B7R1.1 NCC1=CC=NO1 33364 [2,0,0,0,0,0|2,0,0]=4 72 B7R1.1 OCC1=CC=NO1 33580 [2,0,0,0,0,0|1,0,0]=3 73 B7R1.1 OCC1=CC=NS1 53001 [2,0,0,0,0,0|1,1,0]=4 74 B9R1.7 CC1=CC=C(CCN)S1 29986 [1,1,0,0,0,0|1,1,0]=4 75 B9R1.7 CC1=CC=C(CCO)O1 F16227 [1,1,0,0,0,0|1,0,0]=3 76 B9R1.7 CCCC1=NC(I)=CN1 W16409 [1,1,0,0,0,0|2,0,0]=4 77 B9R1.7 CCCN1C=C(N)C=N1 D82823 [1,1,0,0,0,0|2,0,0]=4 78 B9R1.7 CCOC1=CC(=O)CC1 W16153 [1,1,0,0,0,0|1,0,1]=4 79 B9R1.7 CCOC1=CC(N)=NO1 31468 [1,1,0,0,0,0|1,0,0]=3 80 B9R1.7 CCO[C@@H]1C=CC(=O)O1 91454 [1,1,0,0,0,0|0,0,1]=3 81 B9R1.7 COCC1=CC(N)=NN1 P13383 [1,1,0,0,0,0|2,0,0]=4 82 B9R1.7 NCCC1=CC(Br)=CS1 AC3072 [1,1,0,0,0,0|1,1,0]=4 83 B9R1.11 CC[C@H](N)C1=CC=CO1 N16694 [1,1,0,0,0,0|0,0,0]=2 84 B9R1.11 COC(=O)C1=NC=CO1 C74629 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.11 N[C@@H](CO)C1=CC=CS1 F16920 [1,1,0,0,0,0|1,1,0]=4 86 B9R1.11 N[C@@H](CO)C1=CC=CS1 Y11116 [1,1,0,0,0,0|1,1,0]=4 87 B9R1.11 O=C(CBr)C1=CC=CO1 D79351 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.11 O=C(CO)C1=CC=CO1 AC4738 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.11 OC[C@H](O)C1=CC=CO1 I11131 [1,1,0,0,0,0|1,0,0]=3 90 B9R1.13 CC(=O)CC1=CC=CS1 W16827 [1,1,0,0,0,0|0,1,1]=4 91 B9R1.13 CN(C)CC1=CC=CN1 AC2500 [1,1,0,0,0,0|2,0,0]=4 92 B9R1.13 C[C@H](N)CC1=CSC=C1 89729 [1,1,0,0,0,0|2,0,0]=4 93 B9R1.13 O=C(O)CC1=CC=CO1 W10208 [1,1,0,0,0,0|1,0,1]=4 94 B9R1.33 CN1C=CC=C1CCN 70855 [1,1,0,0,0,0|2,0,0]=4 95 B9R1.33 CN1C=CC=C1CCO F13299 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.1 CCNCC1=CC=C(C)C=C1 78307 [0,1,0,0,0,1|2,0,0]=4 97 B11R1.1 CCNCC1=CC=C(N)C=C1 AC1810 [0,1,0,0,0,1|2,0,0]=4 98 B11R1.1 CCNCC1=CC=C(O)C=C1 31967 [0,1,0,0,0,1|2,0,0]=4 99 B11R1.1 CCNCC1=CN=C(Cl)C=C1 F11983 [0,1,0,0,0,1|2,0,0]=4 100 B11R1.1 CCOCC1=CC=C(Br)C=C1 W19177 [0,1,0,0,0,1|1,0,0]=3 101 B11R1.1 CCOCC1=CC=C(O)C=C1 27758 [0,1,0,0,0,1|1,0,0]=3 102 B11R1.1 CCOCC1=CN=C(Cl)C=C1 D73333 [0,1,0,0,0,1|1,0,0]=3 103 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y10270 [0,1,0,0,0,1|2,0,0]=4 104 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11637 [0,1,0,0,0,1|2,0,0]=4 105 B11R1.16 CCC[C@H](N)C1=CC=CC=C1 Y11944 [0,1,0,0,0,1|2,0,0]=4 106 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 31766 [0,1,0,0,0,1|2,0,0]=4 107 B11R1.16 CCC[C@H](N)C1=CC=NC=C1 Y11462 [0,1,0,0,0,1|2,0,0]=4 108 B11R1.17 CCNCC1=C(O)C=CC=C1 AC1355 [0,1,0,0,0,1|2,0,0]=4 109 B11R1.24 CCCCC1=CC=CC(F)=C1 36944 [0,1,0,0,0,1|2,0,0]=4 110 B11R1.24 CCCCC1=CC=CC(N)=N1 78400 [0,1,0,0,0,1|2,0,0]=4 111 B11R1.24 CCNCC1=CC=CC(O)=C1 31617 [0,1,0,0,0,1|2,0,0]=4 112 B11R1.28 BrCCSCC1=CC=CC=C1 D80856 [0,1,0,0,0,1|1,1,0]=4 113 B11R1.28 CCCCCC1=CC=CN=C1 O11045 [0,1,0,0,0,1|2,0,0]=4 114 B11R1.28 CCCCCC1=CC=NC=C1 T70725 [0,1,0,0,0,1|2,0,0]=4 115 B11R1.28 CCCCCC1=NC=CC=C1 D70816 [0,1,0,0,0,1|2,0,0]=4 116 B11R1.28 CNCCCC1=CC=CC=C1 AR3929 [0,1,0,0,0,1|2,0,0]=4 117 B11R1.28 ICCOCC1=CC=CC=C1 70075 [0,1,0,0,0,1|1,0,0]=3 118 B11R1.28 OCCCCC1=NC=CC=C1 30660 [0,1,0,0,0,1|2,0,0]=4 119 B11R1.91 CC(C)CCC1=NC=CN=C1 A12502 [0,1,0,0,0,1|2,0,0]=4 120 B11R1.91 C[C@H](N)CCC1=CC=CC=C1 Y11691 [0,1,0,0,0,1|2,0,0]=4 121 B11R1.15 CCOC(=O)C1=CC(C)=CN1 83098 [0,2,0,0,0,0|1,0,1]=4 122 B11R1.15 CCOC(=O)C1=CC(C)=CS1 H11525 [0,2,0,0,0,0|0,1,1]=4 123 B11R1.15 CCOC(=O)C1=CC(N)=CN1 70768 [0,2,0,0,0,0|1,0,1]=4 124 B11R1.15 CCOC(=O)C1=CC=C(Br)N1 78881 [0,2,0,0,0,0|1,0,1]=4 125 B11R1.15 CCOC(=O)C1=NC(C)=CO1 F13742 [0,2,0,0,0,0|1,0,1]=4 126 B11R1.15 CCOC(=O)C1=NC=C(C)O1 F14099 [0,2,0,0,0,0|1,0,1]=4 127 B11R1.29 CNCC[C@H](O)C1=CC=CS1 C71538 [0,2,0,0,0,0|1,1,0]=4 128 B11R1.31 COC(=O)[C@H](N)C1=CC=CO1 D92810 [0,2,0,0,0,0|2,0,0]=4 129 B11R1.199 CCOC(=O)C1=C(Br)C=CO1 F14070 [0,2,0,0,0,0|0,0,1]=3 130 B11R1.199 CCOC(=O)C1=C(Br)N=CO1 27033 [0,2,0,0,0,0|1,0,1]=4 131 B11R1.199 CCOC(=O)C1=C(N)C=CO1 67501 [0,2,0,0,0,0|0,0,1]=3 132 B11R1.199 CCOC(=O)C1=CC=CN1N 61488 [0,2,0,0,0,0|1,0,1]=4 133 B11R1.27 CCCCCC1=CC=C(Br)S1 W19332 [0,2,0,0,0,0|1,1,0]=4 134 B11R1.214 CCOCC1=CC=C(C=O)O1 N16960 [0,2,0,0,0,0|0,0,0]=2 135 B11R1.4 CCCCCCC1=CC=CN1 D93114 [0,2,0,0,0,0|2,0,0]=4 136 B11R1.30 CCOC(=O)CC1=CSC=N1 31608 [0,2,0,0,0,0|2,0,0]=4 137 B11R1.30 CCOC(=O)CC1=NN=CO1 72043 [0,2,0,0,0,0|2,0,0]=4 138 B11R1.30 CCOC(=O)CC1=NNC=C1 F12966 [0,2,0,0,0,0|2,0,0]=4 139 B11R1.30 CCOC(=O)CN1C=CC=N1 W10260 [0,2,0,0,0,0|2,0,0]=4 140 B9R2.2 C1=CN(C2CC2)N=C1 25668 [1,0,0,1,0,0|2,0,0]=4 141 B9R2.2 C1=CNC(C2CC2)=N1 31955 [1,0,0,1,0,0|2,0,0]=4 142 B9R2.2 C1=NC=C(C2CC2)N1 51747 [1,0,0,1,0,0|2,0,0]=4 143 B9R2.3 C1=NN2CCCC2=C1 O11325 [1,0,0,1,0,0|2,0,0]=4 144 B9R2.3 C1=NNC2=C1COC2 P21049 [1,0,0,1,0,0|2,0,0]=4 145 B11R2.1 C[C@@H]1NCC2=C1C=CC=C2 E72710 [0,0,0,1,0,1|2,0,0]=4 146 B11R2.20 C1=CC2=C(C=N1)CCNC2 27429 [0,0,0,1,0,1|2,0,0]=4 147 B11R2.20 C1=CC2=C(C=N1)CCNC2 F52150 [0,0,0,1,0,1|2,0,0]=4 148 B11R2.20 C1=CC2=C(C=N1)CNCC2 67415 [0,0,0,1,0,1|2,0,0]=4 149 B11R2.20 C1=CN=C2CNCCC2=C1 67455 [0,0,0,1,0,1|2,0,0]=4 150 B11R2.20 C1=NC=C2CCCCC2=N1 F16382 [0,0,0,1,0,1|2,0,0]=4 151 B11R2.20 C1=NC=C2CCNCC2=N1 P13445 [0,0,0,1,0,1|2,0,0]=4 152 B11R2.239 C1=CC=C([C@@H]2CCN2)C=C1 C90175 [0,0,0,1,0,1|2,0,0]=4 153 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N12240 [0,1,0,1,0,0|1,0,0]=3 154 B11R2.106 O=C1CCCC2=C1OC=C2 W11588 [0,1,0,1,0,0|1,0,1]=4 155 B11R2.106 O=C1OCCC2=C1SC=C2 W19518 [0,1,0,1,0,0|0,1,1]=4 156 B11R2.106 O[C@H]1CCCC2=C1C=CO2 D79428 [0,1,0,1,0,0|1,0,0]=3 157 B11R2.10 BrC1=CN2CCOCC2=N1 C77444 [0,1,0,1,0,0|2,0,0]=4 158 B11R2.10 NC1=CC2=C(CCCC2)S1 C71806 [0,1,0,1,0,0|1,1,0]=4