0 B11R1.41 CCC1=C(CCO)C=CC=C1 C15362 [0,0,0,0,0,0|2,0,0]=2 1 B11R1.41 CCNC1=C(OC)C=CC=N1 76883 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.41 CCSC1=C(C#N)C=CC=C1 AT20895 [0,0,0,0,0,0|4,0,0]=4 3 B11R1.41 COC1=C(CNN)C=CC=C1 P10476 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.4 CC1=C(CC=O)C=CC=C1 W16821 [1,0,0,0,0,0|1,0,1]=3 5 B10R1.4 CC1=C(CON)C=CC=C1 D77271 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.4 CC1=CC=CN=C1CC#N C90297 [1,0,0,0,0,0|1,0,2]=4 7 B10R1.4 CCCC1=C(C)C=CC=C1 T71577 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.4 CCNC1=C(F)C=CC=C1 D87863 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.4 CCNC1=CC=CN=C1O F30124 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.4 CCOC1=C(C)C=CN=C1 AC4346 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 CCSC1=C(Br)C=CC=C1 AT20838 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCSC1=C(O)C=CC=C1 AT20889 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.4 CNCC1=C(N)C=CC=C1 F13330 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.4 NC1=C(CCF)C=NC=C1 P14647 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 NCCN1C=CC=CC1=O F15207 [1,0,0,0,0,0|1,0,1]=3 16 B10R1.4 NCCN1C=CC=NC1=O AT13871 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.4 NCCN1C=NC=CC1=O AT13878 [1,0,0,0,0,0|2,0,1]=4 18 B10R1.4 NNCC1=C(Cl)C=CC=C1 W12211 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.4 O=C1C=CC=CN1CCBr AT19229 [1,0,0,0,0,0|2,0,1]=4 20 B10R1.4 O=CCC1=C(Cl)C=CC=C1 W16822 [1,0,0,0,0,0|2,0,1]=4 21 B10R1.20 CCC1=CC=CN=C1C#N 50481 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.20 CNC1=C(CO)C=CC=C1 C74490 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.20 CNC1=C(OC)C=CC=N1 77471 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.20 CNC1=C(SC)C=CC=C1 AT20832 [1,0,0,0,0,0|1,1,0]=3 25 B10R1.20 COC1=C(CN)C=CN=C1 P16442 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.20 COC1=C(CN)N=CC=C1 O10088 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.20 COC1=C(CO)C=CN=C1 P11879 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.20 COC1=C(NN)C=CC=C1 71208 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.20 COC1=C(SC)C=CC=N1 F50798 [1,0,0,0,0,0|2,0,0]=3 30 B10R1.20 COC1=CC=CN=C1CCl 27916 [1,0,0,0,0,0|2,0,0]=3 31 B10R1.20 COC1=NC=CC=C1CN 36590 [1,0,0,0,0,0|1,0,0]=2 32 B10R1.20 COC1=NC=CN=C1CN C71765 [1,0,0,0,0,0|2,0,0]=3 33 B10R1.20 N#CC1=NC=CC=C1CN 92898 [1,0,0,0,0,0|3,0,0]=4 34 B12R1.75 COC1=C(CC(=O)Cl)C=CC=C1 F11411 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11278 [0,1,0,0,0,0|0,0,0]=1 36 B12R1.75 COC1=C(C[C@H](C)N)C=CC=C1 N11279 [0,1,0,0,0,0|0,0,0]=1 37 B12R1.75 COC1=C(NC(C)=S)C=CC=C1 81285 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.75 COC1=CC=CN=C1CC(C)=O F31310 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.77 C#C[C@@H](O)C1=C(OC)C=CC=C1 AC4743 [0,1,0,0,0,0|1,0,1]=3 40 B12R1.77 C=C[C@H](N)C1=C(CC)C=CC=C1 N15268 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.77 C=C[C@H](N)C1=C(CC)C=CC=C1 N15269 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.77 C=C[C@H](N)C1=C(CC)C=CC=C1 N15270 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.77 C=C[C@H](N)C1=C(OC)C=CC=C1 N15283 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.77 C=C[C@H](N)C1=C(OC)C=CC=C1 N15284 [0,1,0,0,0,0|1,0,1]=3 45 B12R1.77 C=C[C@H](N)C1=C(OC)C=CC=C1 N15285 [0,1,0,0,0,0|1,0,1]=3 46 B12R1.77 CCC1=C([C@@H](N)CN)C=CC=C1 N13458 [0,1,0,0,0,0|1,0,0]=2 47 B12R1.77 CCC1=C([C@@H](N)CN)C=CC=C1 N13459 [0,1,0,0,0,0|1,0,0]=2 48 B12R1.77 CCC1=C([C@@H](N)CN)C=CC=C1 N13460 [0,1,0,0,0,0|1,0,0]=2 49 B12R1.77 CC[C@H](N)C1=C(CO)C=CC=C1 Y13011 [0,1,0,0,0,0|3,0,0]=4 50 B12R1.77 CC[C@H](N)C1=C(OC)C=CC=N1 N14894 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.77 CC[C@H](O)C1=C(OC)C=CC=C1 N14415 [0,1,0,0,0,0|1,0,0]=2 52 B12R1.77 COC1=C(C(=O)CN)C=CC=C1 C74781 [0,1,0,0,0,0|0,0,1]=2 53 B12R1.77 COC1=C(C(=O)CO)C=CC=C1 AC5663 [0,1,0,0,0,0|1,0,1]=3 54 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N12819 [0,1,0,0,0,0|0,0,0]=1 55 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13475 [0,1,0,0,0,0|0,0,0]=1 56 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13476 [0,1,0,0,0,0|0,0,0]=1 57 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13483 [0,1,0,0,0,0|0,0,0]=1 58 B12R1.77 COC1=C([C@@H](N)CN)C=CC=C1 N13484 [0,1,0,0,0,0|0,0,0]=1 59 B12R1.77 COC1=C([C@@H](N)CO)C=CC=C1 D81510 [0,1,0,0,0,0|1,0,0]=2 60 B12R1.77 COC1=C([C@@H](N)CO)N=CC=C1 N14895 [0,1,0,0,0,0|2,0,0]=3 61 B12R1.77 COC1=C([C@@H](O)CO)C=CC=C1 W15251 [0,1,0,0,0,0|1,0,0]=2 62 B12R1.112 COC1=C(CC#N)C=CC(Cl)=C1 76060 [0,1,0,0,0,0|0,0,2]=3 63 B12R1.121 CNCCC1=C(OC)C=CC=C1 C77728 [0,1,0,0,0,0|0,0,0]=1 64 B12R1.121 COC1=C(CCCBr)C=CC=C1 C78175 [0,1,0,0,0,0|1,0,0]=2 65 B12R1.121 O=CCCC1=C(CO)C=CC=C1 F19762 [0,1,0,0,0,0|3,0,0]=4 66 B12R1.169 COCC1=C(CCO)C=CC=C1 C14460 [0,1,0,0,0,0|1,0,0]=2 67 B12R1.268 COC1=C(CC#N)C=C(F)C=C1 CK2057 [0,1,0,0,0,0|0,0,2]=3 68 B12R1.268 COC1=NC=C(F)C=C1CC#N F53785 [0,1,0,0,0,0|1,0,2]=4 69 B12R1.283 CCOC1=C([C@H](C)N)C=CC=C1 N13079 [0,1,0,0,0,0|3,0,0]=4 70 B12R1.283 NNCC1=C([N+](=O)[O-])C=CC=C1 W16013 [0,1,0,0,0,0|3,0,0]=4 71 B12R1.542 CCN1C(=O)C=CC=C1CCN F13866 [0,1,0,0,0,0|2,0,0]=3 72 B12R1.542 COC1=C(F)C=CC=C1CC#N D96289 [0,1,0,0,0,0|0,0,2]=3 73 B12R1.1112 COC1=CC=CC(F)=C1CCN F50615 [0,1,0,0,0,0|0,0,0]=1 74 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22267 [0,0,0,1,0,0|3,0,0]=4 75 B12R2.1 ClCC1=COC2=C1C=CC=C2 C76142 [0,0,0,1,0,0|1,0,2]=4 76 B12R2.1 N#C[C@H]1CCC2=C1C=CC=C2 81813 [0,0,0,1,0,0|1,0,2]=4 77 B12R2.1 NCC1=CNC2=C1C=CC=C2 C80078 [0,0,0,1,0,0|1,0,2]=4 78 B12R2.1 NCC1=COC2=C1C=CC=C2 AC4652 [0,0,0,1,0,0|0,0,2]=3 79 B12R2.1 NC[C@H]1CCC2=C1C=CC=C2 20176 [0,0,0,1,0,0|1,0,0]=2 80 B12R2.1 NC[C@H]1CCC2=CC=CN=C21 C77541 [0,0,0,1,0,0|2,0,0]=3 81 B12R2.1 NC[C@H]1CNC2=C1C=CC=C2 AC7339 [0,0,0,1,0,0|1,0,0]=2 82 B12R2.1 O=C[C@@H]1CCC2=C1C=CC=C2 D78606 [0,0,0,1,0,0|2,0,1]=4 83 B12R2.1 OCC1=COC2=C1C=CC=C2 AC6184 [0,0,0,1,0,0|1,0,2]=4 84 B12R2.1 OC[C@H]1CCC2=C1C=CC=C2 AC3163 [0,0,0,1,0,0|2,0,0]=3 85 B12R2.18 CN1C(N)=CC2=C1C=CC=C2 64263 [0,0,0,1,0,0|1,0,2]=4 86 B12R2.18 N[C@H]1CC2=C(C=CC=C2)C1=O 66097 [0,0,0,1,0,0|2,0,0]=3 87 B12R2.24 Br[C@H]1CCC2=C(C=CC=C2)C1 F13406 [0,0,0,1,0,0|2,0,0]=3 88 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 F50994 [0,0,0,1,0,0|2,0,0]=3 89 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 12711 [0,0,0,1,0,0|3,0,0]=4 90 B12R2.24 C[C@H]1CC2=C(C=CC=C2)CN1 C74526 [0,0,0,1,0,0|3,0,0]=4 91 B12R2.24 C[C@H]1CSC2=C(C=CC=C2)N1 W10084 [0,0,0,1,0,0|2,1,0]=4 92 B12R2.24 N[C@@H]1COC2=C(C=CC=C2)C1 F20762 [0,0,0,1,0,0|0,0,0]=1 93 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F13193 [0,0,0,1,0,0|1,0,0]=2 94 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18883 [0,0,0,1,0,0|1,0,0]=2 95 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 F18889 [0,0,0,1,0,0|1,0,0]=2 96 B12R2.24 O=C1COC2=C(C=CC=C2)C1 F53084 [0,0,0,1,0,0|1,0,1]=3 97 B12R2.24 O[C@H]1CCC2=C(C=CC=N2)C1 D78688 [0,0,0,1,0,0|3,0,0]=4 98 B12R2.41 C1=CC2=C(C=C1)NCCNC2 66604 [0,0,0,1,0,0|3,0,0]=4 99 B12R2.41 C1=CC2=C(C=C1)NCCOC2 98337 [0,0,0,1,0,0|3,0,0]=4 100 B12R2.41 C1=CC2=C(C=C1)OCCCN2 VT1384 [0,0,0,1,0,0|2,0,0]=3 101 B12R2.41 C1=CC2=C(C=C1)OCCNC2 C80018 [0,0,0,1,0,0|2,0,0]=3 102 B12R2.41 C1=CC2=C(C=N1)NCCCC2 D87077 [0,0,0,1,0,0|3,0,0]=4 103 B12R2.41 C1=CN=C2CCCCCC2=C1 F53451 [0,0,0,1,0,0|3,0,0]=4 104 B12R2.315 CCC1=CC=CC2=C1C=CN2 F18194 [0,0,0,1,0,0|1,0,2]=4 105 B12R2.315 CNC1=CC=CC2=C1C=NN2 P18752 [0,0,0,1,0,0|2,0,1]=4 106 B12R2.315 COC1=C2CCCC2=CC=C1 C15321 [0,0,0,1,0,0|1,0,0]=2 107 B12R2.315 COC1=C2CCCC2=NC=C1 97220 [0,0,0,1,0,0|2,0,0]=3 108 B12R2.315 COC1=C2NN=CC2=CC=C1 D78821 [0,0,0,1,0,0|3,0,0]=4 109 B12R2.315 COC1=C2OCOC2=CC=C1 F51131 [0,0,0,1,0,0|2,0,0]=3 110 B12R2.315 COC1=CC=CC2=C1N=CS2 76145 [0,0,0,1,0,0|2,0,1]=4 111 B12R2.315 N#CC1=C2CCCC2=CC=C1 AT17195 [0,0,0,1,0,0|3,0,0]=4 112 B12R2.315 NCC1=CC=CC2=C1CCN2 F17823 [0,0,0,1,0,0|2,0,0]=3 113 B12R2.315 O=CC1=C2CCCC2=CC=C1 N10682 [0,0,0,1,0,0|3,0,0]=4 114 B12R2.315 O=CC1=C2CCCC2=CC=C1 Y10694 [0,0,0,1,0,0|3,0,0]=4 115 B12R2.1081 C=C1CCCC2=C1C=CC=C2 D87874 [0,0,0,1,0,0|2,0,1]=4 116 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 71815 [0,0,0,1,0,0|3,0,0]=4 117 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=C2 A11734 [0,0,0,1,0,0|3,0,0]=4 118 B12R2.1081 O=C1NCCC2=C1C=CN=C2 D84896 [0,0,0,1,0,0|3,0,0]=4 119 B12R2.2048 COC1=C(C2CC2)C=CC=C1 AC8615 [0,0,0,1,0,0|1,0,0]=2 120 B12R2.2048 NCC1=C(C2CC2)C=CC=C1 26242 [0,0,0,1,0,0|3,0,0]=4 121 B12R2.2048 SCC1=C(C2CC2)C=CC=C1 AT13698 [0,0,0,1,0,0|3,0,0]=4 122 B9R1.8 BrCCC1=CN=CC=C1 C77647 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.8 CCCC1=CC=CN=C1 O11051 [2,0,0,0,0,0|2,0,0]=4 124 B9R1.8 CCC[N+]1=CC=CC=C1 T72121 [2,0,0,0,0,0|2,0,0]=4 125 B9R1.8 FCCC1=CC=CC=C1 75534 [2,0,0,0,0,0|1,0,0]=3 126 B9R1.8 NCCC1=CC=CC=C1 T71816 [2,0,0,0,0,0|0,0,0]=2 127 B9R1.8 NCCC1=CC=CC=C1 T72591 [2,0,0,0,0,0|0,0,0]=2 128 B9R1.8 NCCC1=NC=CC=N1 83201 [2,0,0,0,0,0|2,0,0]=4 129 B9R1.8 NCCC1=NC=CC=N1 P10852 [2,0,0,0,0,0|2,0,0]=4 130 B9R1.8 NCCC1=NC=CN=C1 AT22557 [2,0,0,0,0,0|2,0,0]=4 131 B9R1.8 NCCC1=NC=NC=C1 P10950 [2,0,0,0,0,0|2,0,0]=4 132 B9R1.8 NNCC1=NC=CC=C1 P10521 [2,0,0,0,0,0|2,0,0]=4 133 B9R1.8 OCCC1=CC=NC=C1 T72404 [2,0,0,0,0,0|2,0,0]=4 134 B9R1.8 SCCC1=NC=CC=C1 F18309 [2,0,0,0,0,0|2,0,0]=4 135 B9R1.15 C=CC1=C(C)C=CC=C1 T72704 [2,0,0,0,0,0|0,0,2]=4 136 B9R1.15 CC1=C(CBr)C=CC=N1 FD9046 [2,0,0,0,0,0|2,0,0]=4 137 B9R1.15 CC1=C(CBr)C=CC=N1 P11218 [2,0,0,0,0,0|2,0,0]=4 138 B9R1.15 CC1=C(CCl)C=CC=N1 P10970 [2,0,0,0,0,0|2,0,0]=4 139 B9R1.15 CC1=C(CCl)C=NC=C1 P10971 [2,0,0,0,0,0|2,0,0]=4 140 B9R1.15 CC1=CC=CN=C1CBr D97530 [2,0,0,0,0,0|2,0,0]=4 141 B9R1.15 CC1=NC=CN=C1CN 38702 [2,0,0,0,0,0|2,0,0]=4 142 B9R1.15 CCC1=C(Br)C=CN=C1 H11182 [2,0,0,0,0,0|2,0,0]=4 143 B9R1.15 CCC1=CC=CN=C1C 75814 [2,0,0,0,0,0|1,0,0]=3 144 B9R1.15 CCC1=CN=CN=C1O C15413 [2,0,0,0,0,0|2,0,0]=4 145 B9R1.15 COC1=C(Br)C=CN=C1 F10479 [2,0,0,0,0,0|2,0,0]=4 146 B9R1.15 COC1=C(C)C=NC=C1 D74380 [2,0,0,0,0,0|1,0,0]=3 147 B9R1.15 NCC1=C(Br)C=NC=C1 98160 [2,0,0,0,0,0|2,0,0]=4 148 B9R1.15 NCC1=C(Cl)C=CN=C1 C11073 [2,0,0,0,0,0|2,0,0]=4 149 B9R1.15 NCC1=C(F)C=CN=C1 C90218 [2,0,0,0,0,0|2,0,0]=4 150 B9R1.15 NCC1=C(I)C=CC=C1 AT26620 [2,0,0,0,0,0|1,0,0]=3 151 B9R1.15 NCC1=C(O)C=CC=N1 C73700 [2,0,0,0,0,0|1,0,0]=3 152 B9R1.15 NCC1=C(O)C=CN=C1 AT18117 [2,0,0,0,0,0|1,0,0]=3 153 B9R1.15 NCC1=CC=CN=C1Cl 37571 [2,0,0,0,0,0|2,0,0]=4 154 B9R1.15 NCC1=CC=CN=C1N CL0345 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.15 NCC1=[N+]([O-])C=CC=C1 D86206 [2,0,0,0,0,0|1,0,1]=4 156 B9R1.15 [2H]CC1=C(F)C=CC=C1 D99779 [2,0,0,0,0,0|2,0,0]=4 157 B11R1.13 C=CCC1=C(O)C(C)=CC=C1 AC5932 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.13 CC1=C(Cl)C=CC=C1CC#N C90793 [1,1,0,0,0,0|0,0,2]=4 159 B11R1.13 CCOC1=C(C)C(N)=CC=C1 F18648 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.13 CN1C(=O)C=CN=C1CCN AT13879 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.13 ClC1=CC=CC(CCBr)=C1Cl C78633 [1,1,0,0,0,0|2,0,0]=4 162 B11R1.17 BrCCCC1=C(Br)C=CC=C1 C77748 [1,1,0,0,0,0|2,0,0]=4 163 B11R1.17 CC1=CC=CN=C1CCCN W10139 [1,1,0,0,0,0|1,0,0]=3 164 B11R1.17 CCCOC1=C(N)C=CC=C1 AC7746 [1,1,0,0,0,0|2,0,0]=4 165 B11R1.17 CCNCC1=C(Cl)C=CC=C1 C16114 [1,1,0,0,0,0|2,0,0]=4 166 B11R1.17 CNCCC1=C(C)C=CC=C1 C78447 [1,1,0,0,0,0|0,0,0]=2 167 B11R1.17 CNCCC1=C(Cl)C=CC=C1 C78279 [1,1,0,0,0,0|1,0,0]=3 168 B11R1.17 ClC1=C(CCCBr)C=CC=C1 C78298 [1,1,0,0,0,0|2,0,0]=4 169 B11R1.17 NCCCC1=C(Cl)C=CC=C1 C78000 [1,1,0,0,0,0|1,0,0]=3 170 B11R1.17 NCCCC1=C(F)C=CC=C1 F20045 [1,1,0,0,0,0|1,0,0]=3 171 B11R1.17 NCCCN1C=CC=CC1=O AT19227 [1,1,0,0,0,0|1,0,1]=4 172 B11R1.17 NCCOC1=C(Cl)C=CC=C1 L10067 [1,1,0,0,0,0|1,0,0]=3 173 B11R1.17 OCCCC1=C(O)C=CC=N1 85302 [1,1,0,0,0,0|2,0,0]=4 174 B11R1.81 CCCC1=C(O)C=C(C)C=C1 A10895 [1,1,0,0,0,0|1,0,0]=3 175 B11R1.81 CCOC1=C(C)C=C(N)C=C1 N12561 [1,1,0,0,0,0|2,0,0]=4 176 B11R1.81 NCCC1=C(Br)C=C(Br)C=C1 P18612 [1,1,0,0,0,0|1,0,0]=3 177 B11R1.81 NCCC1=C(Br)C=C(Cl)C=C1 AC3186 [1,1,0,0,0,0|1,0,0]=3 178 B11R1.81 NCCC1=C(Br)C=C(F)C=C1 AC7044 [1,1,0,0,0,0|1,0,0]=3 179 B11R1.81 NCCC1=C(F)C=C(Br)C=C1 50240 [1,1,0,0,0,0|1,0,0]=3 180 B11R1.81 NCCC1=C(F)C=C(O)C=C1 F51014 [1,1,0,0,0,0|1,0,0]=3 181 B11R1.81 NNCC1=C(Br)C=C(F)C=C1 AC5368 [1,1,0,0,0,0|2,0,0]=4 182 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 AC4339 [1,1,0,0,0,0|2,0,0]=4 183 B11R1.81 NNCC1=C(Cl)C=C(Cl)C=C1 P10432 [1,1,0,0,0,0|2,0,0]=4 184 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 A12240 [1,1,0,0,0,0|2,0,0]=4 185 B11R1.81 NNCC1=C(Cl)C=C(F)C=C1 P10526 [1,1,0,0,0,0|2,0,0]=4 186 B11R1.81 NNCC1=C(F)C=C(Br)C=C1 AC5349 [1,1,0,0,0,0|2,0,0]=4 187 B11R1.81 NNCC1=C(F)C=C(F)C=C1 AC5364 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.81 OCCC1=C(Br)C=C(Cl)C=C1 D85895 [1,1,0,0,0,0|2,0,0]=4 189 B11R1.81 OCCC1=C(F)C=C(F)C=C1 A50720 [1,1,0,0,0,0|2,0,0]=4 190 B11R1.86 CC1=C(C[C@H](C)N)C=CC=C1 N10867 [1,1,0,0,0,0|0,0,0]=2 191 B11R1.86 C[C@H](N)CC1=C(Br)C=CC=C1 N11144 [1,1,0,0,0,0|1,0,0]=3 192 B11R1.86 C[C@H](N)CC1=C(Cl)C=CC=C1 N11063 [1,1,0,0,0,0|1,0,0]=3 193 B11R1.86 NC(=O)CC1=NC=CC=C1O D87092 [1,1,0,0,0,0|1,0,1]=4 194 B11R1.182 CC1=C(CC#N)C=C(Cl)C=C1 AT13429 [1,1,0,0,0,0|0,0,2]=4 195 B11R1.182 CC1=C(CCN)C=C(Cl)C=C1 AT13431 [1,1,0,0,0,0|0,0,0]=2 196 B11R1.182 CCCC1=C(Br)C=CC(O)=C1 57995 [1,1,0,0,0,0|2,0,0]=4 197 B11R1.182 ClC1=CC(CCBr)=C(Cl)C=C1 C78205 [1,1,0,0,0,0|2,0,0]=4 198 B11R1.182 NCCC1=C(Br)C=CC(Cl)=C1 AT11063 [1,1,0,0,0,0|1,0,0]=3 199 B11R1.182 NCCC1=C(F)C=CC(Br)=C1 N12525 [1,1,0,0,0,0|1,0,0]=3 200 B11R1.182 NCCC1=C(F)C=CC(F)=C1 AT21560 [1,1,0,0,0,0|1,0,0]=3 201 B11R1.182 NCCN1C=C(Br)C=CC1=O AT19269 [1,1,0,0,0,0|1,0,1]=4 202 B11R1.182 NNCC1=C(Br)C=CC(Cl)=C1 AC5350 [1,1,0,0,0,0|2,0,0]=4 203 B11R1.182 NNCC1=C(Cl)C=CC(F)=C1 AC5377 [1,1,0,0,0,0|2,0,0]=4 204 B11R1.182 NNCC1=C(F)C=CC(Br)=C1 AC5379 [1,1,0,0,0,0|2,0,0]=4 205 B11R1.222 C#C[C@@H](O)C1=C(C)C=CC=C1 AC4137 [1,1,0,0,0,0|1,0,1]=4 206 B11R1.222 C#C[C@@H](O)C1=C(O)C=CC=C1 AC5065 [1,1,0,0,0,0|1,0,1]=4 207 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15259 [1,1,0,0,0,0|1,0,1]=4 208 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15260 [1,1,0,0,0,0|1,0,1]=4 209 B11R1.222 C=C[C@H](N)C1=C(C)C=CC=C1 N15261 [1,1,0,0,0,0|1,0,1]=4 210 B11R1.222 C=C[C@H](N)C1=C(O)C=CC=C1 N15292 [1,1,0,0,0,0|1,0,1]=4 211 B11R1.222 C=C[C@H](N)C1=C(O)C=CC=C1 N15293 [1,1,0,0,0,0|1,0,1]=4 212 B11R1.222 C=C[C@H](N)C1=C(O)C=CC=C1 N15294 [1,1,0,0,0,0|1,0,1]=4 213 B11R1.222 CC1=C(C(=O)CO)C=CC=C1 AC4310 [1,1,0,0,0,0|1,0,1]=4 214 B11R1.222 CC1=C([C@@H](N)CF)C=CC=C1 N14610 [1,1,0,0,0,0|1,0,0]=3 215 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13426 [1,1,0,0,0,0|0,0,0]=2 216 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13427 [1,1,0,0,0,0|0,0,0]=2 217 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13428 [1,1,0,0,0,0|0,0,0]=2 218 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13449 [1,1,0,0,0,0|0,0,0]=2 219 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13450 [1,1,0,0,0,0|0,0,0]=2 220 B11R1.222 CC1=C([C@@H](N)CN)C=CC=C1 N13451 [1,1,0,0,0,0|0,0,0]=2 221 B11R1.222 CC1=C([C@@H](N)CO)C=CC=C1 N15069 [1,1,0,0,0,0|1,0,0]=3 222 B11R1.222 CC1=CC=CN=C1[C@@H](N)CN N14901 [1,1,0,0,0,0|1,0,0]=3 223 B11R1.222 CC[C@H](C)C1=C(N)C=CC=C1 35361 [1,1,0,0,0,0|2,0,0]=4 224 B11R1.222 CC[C@H](N)C1=C(Br)C=CC=C1 N13015 [1,1,0,0,0,0|2,0,0]=4 225 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13856 [1,1,0,0,0,0|2,0,0]=4 226 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13857 [1,1,0,0,0,0|2,0,0]=4 227 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13858 [1,1,0,0,0,0|2,0,0]=4 228 B11R1.222 CC[C@H](N)C1=NC=CC=C1C N13859 [1,1,0,0,0,0|2,0,0]=4 229 B11R1.222 CC[C@H](O)C1=C(Br)C=CC=C1 N12628 [1,1,0,0,0,0|2,0,0]=4 230 B11R1.222 CC[C@H](O)C1=C(C)C=CC=C1 N14414 [1,1,0,0,0,0|1,0,0]=3 231 B11R1.222 CC[C@H](O)C1=C(Cl)C=CC=C1 N14413 [1,1,0,0,0,0|2,0,0]=4 232 B11R1.222 CN[C@@H](C)C1=C(C)C=CC=C1 N12531 [1,1,0,0,0,0|2,0,0]=4 233 B11R1.222 CN[C@@H](C)C1=C(O)C=CC=C1 N12719 [1,1,0,0,0,0|2,0,0]=4 234 B11R1.222 NCC(=O)C1=C(Br)C=CC=C1 W17616 [1,1,0,0,0,0|1,0,1]=4 235 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13418 [1,1,0,0,0,0|1,0,0]=3 236 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13419 [1,1,0,0,0,0|1,0,0]=3 237 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13441 [1,1,0,0,0,0|1,0,0]=3 238 B11R1.222 NC[C@H](N)C1=C(Br)C=CC=C1 N13442 [1,1,0,0,0,0|1,0,0]=3 239 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13403 [1,1,0,0,0,0|1,0,0]=3 240 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13409 [1,1,0,0,0,0|1,0,0]=3 241 B11R1.222 NC[C@H](N)C1=C(Cl)C=CC=C1 N13410 [1,1,0,0,0,0|1,0,0]=3 242 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13390 [1,1,0,0,0,0|1,0,0]=3 243 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13391 [1,1,0,0,0,0|1,0,0]=3 244 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13392 [1,1,0,0,0,0|1,0,0]=3 245 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13393 [1,1,0,0,0,0|1,0,0]=3 246 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13394 [1,1,0,0,0,0|1,0,0]=3 247 B11R1.222 NC[C@H](N)C1=C(F)C=CC=C1 N13395 [1,1,0,0,0,0|1,0,0]=3 248 B11R1.222 NC[C@H](O)C1=C(Br)C=CC=C1 71742 [1,1,0,0,0,0|1,0,0]=3 249 B11R1.222 NC[C@H](O)C1=C(F)C=CC=C1 C78140 [1,1,0,0,0,0|1,0,0]=3 250 B11R1.222 NC[C@H](O)C1=C(I)C=CC=C1 O10641 [1,1,0,0,0,0|1,0,0]=3 251 B11R1.222 N[C@@H](CF)C1=C(F)C=CC=C1 N14609 [1,1,0,0,0,0|2,0,0]=4 252 B11R1.222 N[C@@H](CO)C1=C(Br)C=CC=C1 C77783 [1,1,0,0,0,0|2,0,0]=4 253 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15244 [1,1,0,0,0,0|1,0,0]=3 254 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=C1 N15255 [1,1,0,0,0,0|1,0,0]=3 255 B11R1.222 N[C@@H](CO)C1=C(O)C=CC=N1 N14918 [1,1,0,0,0,0|2,0,0]=4 256 B11R1.605 CCOC1=C(Br)C=CC=C1C N10239 [1,1,0,0,0,0|2,0,0]=4 257 B11R1.605 ClC1=CC=CC(Cl)=C1CCBr C78204 [1,1,0,0,0,0|2,0,0]=4 258 B11R1.605 NCCC1=C(F)C=CC=C1F AT21561 [1,1,0,0,0,0|1,0,0]=3 259 B11R1.605 NCCC1=C(F)C=CC=C1O F50611 [1,1,0,0,0,0|0,0,0]=2 260 B11R1.605 OCCC1=C(F)C=CC=C1F A50722 [1,1,0,0,0,0|2,0,0]=4 261 B11R1.37 C#CC1=C(OC)C=CC(Cl)=C1 82095 [1,1,0,0,0,0|0,0,2]=4 262 B11R1.37 C=CC1=C(OC)C=C(Br)C=C1 88322 [1,1,0,0,0,0|0,0,2]=4 263 B11R1.37 COC1=C(C#N)C=CC(I)=C1 C90259 [1,1,0,0,0,0|0,0,2]=4 264 B11R1.37 COC1=C(CN)C=C(F)C=C1 N12248 [1,1,0,0,0,0|0,0,0]=2 265 B11R1.37 COC1=C(CN)C=CC(Br)=N1 Y10459 [1,1,0,0,0,0|1,0,0]=3 266 B11R1.37 COC1=C(CO)C=CC(Br)=N1 Y10714 [1,1,0,0,0,0|2,0,0]=4 267 B11R1.37 COC1=C(NN)C=C(Cl)C=C1 F11157 [1,1,0,0,0,0|1,0,0]=3 268 B11R1.37 COC1=C(OC)N=C(Br)C=C1 AB21165 [1,1,0,0,0,0|2,0,0]=4 269 B11R1.37 COC1=CC(Br)=CN=C1CO 97691 [1,1,0,0,0,0|2,0,0]=4 270 B11R1.37 COC1=CC(Cl)=CN=C1OC N10224 [1,1,0,0,0,0|2,0,0]=4 271 B11R1.37 COC1=CC(O)=CN=C1OC D75062 [1,1,0,0,0,0|2,0,0]=4 272 B11R1.37 COC1=CC=C(C)N=C1OC D75013 [1,1,0,0,0,0|2,0,0]=4 273 B11R1.37 COC1=NC(C)=CC=C1CO W17835 [1,1,0,0,0,0|2,0,0]=4 274 B11R1.37 COC1=NC=C(Br)C=C1CN 37594 [1,1,0,0,0,0|1,0,0]=3 275 B11R1.37 CSC1=C(CO)C=CC(Br)=C1 94653 [1,1,0,0,0,0|1,1,0]=4 276 B11R1.37 N#CC1=C(CN)C=C(F)C=C1 43931 [1,1,0,0,0,0|2,0,0]=4 277 B11R1.53 C=C(Br)C1=C(OC)C=CC=C1 F18312 [1,1,0,0,0,0|0,0,2]=4 278 B11R1.53 CC(C)C1=C(CCl)C=CC=C1 E72192 [1,1,0,0,0,0|2,0,0]=4 279 B11R1.53 CCC1=C(C(C)=O)C=CN=C1 CL0371 [1,1,0,0,0,0|2,0,0]=4 280 B11R1.53 CCC1=C(C(N)=S)C=CC=C1 F13433 [1,1,0,0,0,0|1,0,1]=4 281 B11R1.53 COC1=C(C(=N)N)N=CC=C1 S10482 [1,1,0,0,0,0|1,0,1]=4 282 B11R1.53 COC1=C(C(N)=O)C=CC=N1 D87306 [1,1,0,0,0,0|1,0,1]=4 283 B11R1.53 COC1=C([C@H](C)N)C=NC=C1 Y12493 [1,1,0,0,0,0|1,0,0]=3 284 B11R1.53 COC1=C([C@H](C)N)N=CC=C1 90521 [1,1,0,0,0,0|1,0,0]=3 285 B11R1.53 COC1=CC=CN=C1C(N)=O D87880 [1,1,0,0,0,0|1,0,1]=4 286 B11R1.53 C[C@H](N)C1=C(C#N)C=CC=C1 Y12983 [1,1,0,0,0,0|2,0,0]=4 287 B11R1.53 C[C@H](N)C1=C(CO)C=CC=C1 Y13010 [1,1,0,0,0,0|2,0,0]=4 288 B11R1.53 C[C@H](O)C1=C(C#N)C=CC=C1 C73535 [1,1,0,0,0,0|2,0,0]=4 289 B11R1.265 CCC1=CC=CC(O)=C1OC O11000 [1,1,0,0,0,0|0,0,0]=2 290 B11R1.265 COC1=C(Br)C=CC=C1CO W15450 [1,1,0,0,0,0|1,0,0]=3 291 B11R1.265 COC1=C(C=O)C(N)=CC=C1 F15854 [1,1,0,0,0,0|1,0,1]=4 292 B11R1.265 COC1=C(CBr)C=CC=C1F 55557 [1,1,0,0,0,0|1,0,0]=3 293 B11R1.265 COC1=C(CCl)C=CC=C1F 55555 [1,1,0,0,0,0|1,0,0]=3 294 B11R1.265 COC1=C(CN)C=CC=C1C N12978 [1,1,0,0,0,0|0,0,0]=2 295 B11R1.265 COC1=C(CO)C(N)=CC=C1 AC4741 [1,1,0,0,0,0|1,0,0]=3 296 B11R1.265 COC1=C(CO)C=CC=C1C N12737 [1,1,0,0,0,0|1,0,0]=3 297 B11R1.265 COC1=C(F)C=CC=C1CN N14224 [1,1,0,0,0,0|0,0,0]=2 298 B11R1.265 COC1=C(O)C=CC=C1C#N 75841 [1,1,0,0,0,0|0,0,2]=4 299 B11R1.265 COC1=C(OC)C(F)=NC=C1 91687 [1,1,0,0,0,0|2,0,0]=4 300 B13R1.51 COC1=C(OC(F)F)C=CC(N)=C1 AT12921 [0,2,0,0,0,0|2,0,0]=4 301 B13R1.89 CCC1=C(C(N)C(C)O)C=CC=C1 N15554 [0,2,0,0,0,0|2,0,0]=4 302 B13R1.89 CCC1=C([C@@H](N)C(C)O)C=CC=C1 N15561 [0,2,0,0,0,0|2,0,0]=4 303 B13R1.89 CCC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15550 [0,2,0,0,0,0|2,0,0]=4 304 B13R1.89 CCC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15552 [0,2,0,0,0,0|2,0,0]=4 305 B13R1.89 CCC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15553 [0,2,0,0,0,0|2,0,0]=4 306 B13R1.89 COC1=C(C(=O)C(C)C)C=CC=C1 N13989 [0,2,0,0,0,0|1,0,1]=4 307 B13R1.89 COC1=C(C(N)C(C)O)C=CC=C1 N15587 [0,2,0,0,0,0|1,0,0]=3 308 B13R1.89 COC1=C([C@@H](C)C(=O)O)C=CC=C1 F19944 [0,2,0,0,0,0|1,0,1]=4 309 B13R1.89 COC1=C([C@@H](N)C(=O)O)C=CC=C1 20774 [0,2,0,0,0,0|1,0,1]=4 310 B13R1.89 COC1=C([C@@H](N)C(C)=O)C=CC=C1 N15588 [0,2,0,0,0,0|1,0,1]=4 311 B13R1.89 COC1=C([C@@H](N)C(C)O)C=CC=C1 N15586 [0,2,0,0,0,0|1,0,0]=3 312 B13R1.89 COC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15583 [0,2,0,0,0,0|1,0,0]=3 313 B13R1.89 COC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15585 [0,2,0,0,0,0|1,0,0]=3 314 B13R1.89 COC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15582 [0,2,0,0,0,0|1,0,0]=3 315 B13R1.89 CSC1=C(C(N)C(C)O)C=CC=C1 N15593 [0,2,0,0,0,0|1,1,0]=4 316 B13R1.89 CSC1=C([C@@H](N)C(C)O)C=CC=C1 N15592 [0,2,0,0,0,0|1,1,0]=4 317 B13R1.89 CSC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15589 [0,2,0,0,0,0|1,1,0]=4 318 B13R1.89 CSC1=C([C@@H](N)[C@@H](C)O)C=CC=C1 N15591 [0,2,0,0,0,0|1,1,0]=4 319 B13R1.89 CSC1=C([C@@H](N)[C@H](C)O)C=CC=C1 N15590 [0,2,0,0,0,0|1,1,0]=4 320 B13R1.91 CCC(=O)CC1=C(OC)C=CC=C1 N14171 [0,2,0,0,0,0|1,0,0]=3 321 B13R1.91 CC[C@H](N)CC1=C(OC)C=CC=C1 N14517 [0,2,0,0,0,0|0,0,0]=2 322 B13R1.91 CN[C@@H](C)CC1=C(OC)C=CC=C1 N10866 [0,2,0,0,0,0|0,0,0]=2 323 B13R1.91 COC1=C(C[C@H](N)CO)C=CC=C1 N11311 [0,2,0,0,0,0|0,0,0]=2 324 B13R1.91 COC1=C(NC(=O)CN)C=CC=C1 F21120 [0,2,0,0,0,0|0,0,1]=3 325 B13R1.115 COC1=C(Br)C=CC=C1CC(=O)O D96284 [0,2,0,0,0,0|1,0,1]=4 326 B13R1.115 COC1=C(F)C=CC=C1CC(=O)O D96288 [0,2,0,0,0,0|1,0,1]=4 327 B13R1.380 CC(=O)NC1=C(CCO)C=CC=C1 AC6636 [0,2,0,0,0,0|2,0,0]=4 328 B13R1.3089 COC1=C(NC(N)=S)C=C(Br)C=C1 C91545 [0,2,0,0,0,0|1,0,1]=4 329 B13R1.3089 COC1=C(OC(F)F)C=C(N)C=C1 AT12954 [0,2,0,0,0,0|2,0,0]=4 330 B13R1.107 COC1=C(C(=O)CBr)C=CC=C1F F13575 [0,2,0,0,0,0|1,0,1]=4 331 B13R1.382 CCOC1=C([C@@H](N)CC)C=CC=C1 N12645 [0,2,0,0,0,0|1,0,0]=3 332 B13R1.382 COC(=O)C1=C(CCN)C=CC=C1 34926 [0,2,0,0,0,0|0,0,0]=2 333 B13R1.464 CCCC(=O)C1=C(CC)C=CC=C1 N13975 [0,2,0,0,0,0|2,0,0]=4 334 B13R1.464 CCCC(=O)C1=C(OC)C=CC=C1 N13987 [0,2,0,0,0,0|1,0,0]=3 335 B13R1.547 NC[C@H](O)C1=C([N+](=O)[O-])C=CC=C1 W10017 [0,2,0,0,0,0|2,0,0]=4 336 B13R1.2129 COC1=C(C(F)(F)CO)C=CC=C1 D87050 [0,2,0,0,0,0|1,0,0]=3 337 B13R1.2209 CC[C@H](N)C1=CC(F)=CN=C1OC Y13433 [0,2,0,0,0,0|2,0,0]=4 338 B13R1.2209 COC1=C(C(=O)CO)C=C(F)C=C1 AC3357 [0,2,0,0,0,0|1,0,1]=4 339 B13R1.2209 COC1=NC=C(F)C=C1[C@@H](N)CO Y13439 [0,2,0,0,0,0|2,0,0]=4 340 B13R1.2357 COC1=C([C@@H](N)CN)C(C)=CC=C1 N13777 [0,2,0,0,0,0|0,0,0]=2 341 B13R1.2357 COC1=C([C@@H](N)CN)C(C)=CC=C1 N13778 [0,2,0,0,0,0|0,0,0]=2 342 B13R1.2357 COC1=C([C@@H](N)CN)C(C)=CC=C1 N13779 [0,2,0,0,0,0|0,0,0]=2 343 B13R1.2357 COC1=CC=CC(F)=C1[C@@H](N)CN N13620 [0,2,0,0,0,0|0,0,0]=2 344 B13R1.2357 COC1=CC=CC(F)=C1[C@@H](N)CN N13621 [0,2,0,0,0,0|0,0,0]=2 345 B13R1.2357 COC1=CC=CC(F)=C1[C@@H](N)CN N13622 [0,2,0,0,0,0|0,0,0]=2 346 B13R1.1249 COC1=CC(OC)=C(CC#N)C=C1 AC5011 [0,2,0,0,0,0|0,0,2]=4 347 B13R1.1249 COC1=CC(OC)=C(CCO)C=C1 F11610 [0,2,0,0,0,0|1,0,0]=3 348 B13R1.1249 COC1=CC(OC)=C(CON)C=C1 C74058 [0,2,0,0,0,0|1,0,0]=3 349 B13R1.84 CNCCCC1=C(OC)C=CC=C1 C77726 [0,2,0,0,0,0|0,0,0]=2 350 B13R1.84 COC1=C(OCCCN)C=CC=C1 V10097 [0,2,0,0,0,0|0,0,0]=2 351 B13R1.485 CCOC1=C(CCCO)C=CC=C1 C77737 [0,2,0,0,0,0|1,0,0]=3 352 B13R1.572 NCCNC1=C(C(=O)O)C=CC=C1 FD10561 [0,2,0,0,0,0|2,0,0]=4 353 B13R1.572 NCCNC1=C([N+](=O)[O-])C=CC=C1 F12755 [0,2,0,0,0,0|2,0,0]=4 354 B13R1.3972 CCOC1=C(OC)C=CC(Br)=C1F E71610 [0,2,0,0,0,0|2,0,0]=4 355 B13R1.381 CS(=O)(=O)C1=C(CCN)C=CC=C1 AC5191 [0,2,0,0,0,0|0,1,0]=3 356 B13R1.3911 CCCC1=CC=CC(OC)=C1OC F50509 [0,2,0,0,0,0|1,0,0]=3 357 B13R1.3911 COC1=C(OC)C(CCN)=CC=C1 D87831 [0,2,0,0,0,0|0,0,0]=2 358 B11R1.280 C=CC1=C(N)C=CC(OC)=C1 78403 [0,0,1,1,0,0|0,0,2]=4 359 B11R1.280 COC1=CC(CN)=C(F)C=C1 Y10771 [0,0,1,1,0,0|1,0,1]=4 360 B11R1.28 NCC\C=C\C1=CC=CC=C1 F15194 [0,0,1,1,0,0|1,0,1]=4 361 B11R2.20 C1=CN=C2CNCCC2=C1 P10652 [1,0,0,1,0,0|1,0,0]=3 362 B11R2.20 C1=NC=C2CCNCC2=N1 P19161 [1,0,0,1,0,0|2,0,0]=4 363 B11R2.55 CC1=C(C2CC2)C=CC=C1 AC9736 [1,0,0,1,0,0|1,0,0]=3 364 B11R2.55 CC1=CC=CN=C1C2CC2 AC9685 [1,0,0,1,0,0|2,0,0]=4 365 B11R2.55 CC1=NC=CC=C1C2CC2 F13571 [1,0,0,1,0,0|2,0,0]=4 366 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 AT10463 [1,0,0,1,0,0|2,0,0]=4 367 B11R2.55 ClC1=C([C@@H]2CO2)C=CC=C1 CK2535 [1,0,0,1,0,0|2,0,0]=4 368 B11R2.55 NC1=C(C2CC2)C=CC=C1 A10978 [1,0,0,1,0,0|2,0,0]=4 369 B11R2.55 OC1=C(C2CC2)C=CC=C1 91444 [1,0,0,1,0,0|1,0,0]=3 370 B11R2.106 BrC1=C2CCOC2=CC=C1 F12556 [1,0,0,1,0,0|2,0,0]=4 371 B11R2.106 CC1=C2CCOC2=NC=C1 97225 [1,0,0,1,0,0|2,0,0]=4 372 B11R2.106 CC1=C2N=CNC2=CC=C1 31265 [1,0,0,1,0,0|1,0,1]=4 373 B11R2.106 CC1=CC=CC2=C1CNC2 W10109 [1,0,0,1,0,0|2,0,0]=4 374 B11R2.106 CC1=CC=CC2=C1N=NN2 C80091 [1,0,0,1,0,0|2,0,0]=4 375 B11R2.106 ClC1=C2CCCC2=CC=C1 N13077 [1,0,0,1,0,0|2,0,0]=4 376 B11R2.106 IC1=C2CCOC2=CC=C1 E72245 [1,0,0,1,0,0|2,0,0]=4 377 B11R2.106 O=C1C=CC=C2NCCN12 O10576 [1,0,0,1,0,0|1,0,1]=4 378 B11R2.988 NC[C@H]1CC2=C1C=CC=C2 AT20374 [1,0,0,1,0,0|0,0,0]=2 379 B11R2.988 OC[C@H]1CC2=C1C=CC=C2 67862 [1,0,0,1,0,0|1,0,0]=3 380 B11R2.1 C[C@H]1CNC2=C1C=CC=C2 W18948 [1,0,0,1,0,0|1,0,0]=3 381 B11R2.1 N[C@H]1CCC2=C1C=CC=C2 41003 [1,0,0,1,0,0|1,0,0]=3 382 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D81362 [1,0,0,1,0,0|2,0,0]=4 383 B11R2.1 N[C@H]1CCC2=NC=CC=C21 D79496 [1,0,0,1,0,0|2,0,0]=4 384 B11R2.1 N[C@H]1COC2=C1C=CC=C2 I11926 [1,0,0,1,0,0|0,0,0]=2 385 B11R2.1 O[C@H]1COC2=C1C=CC=C2 AT19563 [1,0,0,1,0,0|1,0,0]=3 386 B13R2.72 CC(C)[C@@H]1CNC2=C1C=CC=C2 S10855 [0,1,0,1,0,0|2,0,0]=4 387 B13R2.72 NC(=O)[C@@H]1CCC2=C1C=CC=C2 81814 [0,1,0,1,0,0|1,0,1]=4 388 B13R2.72 O=C(O)[C@@H]1COC2=C1C=CC=C2 D78639 [0,1,0,1,0,0|1,0,1]=4 389 B13R2.328 N[C@H]1CC2=C(C=CC=C2)N(O)C1 W17569 [0,1,0,1,0,0|1,0,0]=3 390 B13R2.581 COC1=C2N=C(N)NC2=CC=C1 AC7968 [0,1,0,1,0,0|1,0,1]=4 391 B13R2.581 COC1=CC=NC2=C1CC(=O)N2 D96676 [0,1,0,1,0,0|1,0,1]=4 392 B13R2.32 C[C@H]1COC2=C(C=CC=C2)C1=O N13022 [0,1,0,1,0,0|1,0,1]=4 393 B13R2.32 NC1C2=C(C=CC=C2)OCC1O 66095 [0,1,0,1,0,0|1,0,0]=3 394 B13R2.91 COC1=C(C2(N)CC2)C=CC=C1 79155 [0,1,0,1,0,0|1,0,0]=3 395 B13R2.91 COC1=C(C2(N)CC2)N=CC=C1 59926 [0,1,0,1,0,0|2,0,0]=4 396 B13R2.582 COC1=C2C(=CC=C1)NN=C2I F17790 [0,1,0,1,0,0|1,0,1]=4 397 B13R2.582 COC1=C2C(=CC=C1)NN=C2N 59858 [0,1,0,1,0,0|1,0,1]=4 398 B13R2.582 COC1=C2C(=O)NNC2=CC=C1 F18745 [0,1,0,1,0,0|1,0,1]=4 399 B13R2.582 COC1=CC=CC2=C1[C@@H](N)CO2 N11269 [0,1,0,1,0,0|1,0,0]=3 400 B13R2.582 COC1=CC=CC2=C1[C@@H](N)CO2 N11270 [0,1,0,1,0,0|1,0,0]=3 401 B13R2.582 COC1=CC=CC2=C1[C@@H](N)CO2 N11396 [0,1,0,1,0,0|1,0,0]=3 402 B13R2.1613 CC[C@@H]1NCCC2=C1C=CC=C2 AT22655 [0,1,0,1,0,0|1,0,0]=3 403 B13R2.1613 COC1=C2OCCNC2=CC=C1 D87981 [0,1,0,1,0,0|0,0,0]=2 404 B13R2.1613 COC1=CC=CC2=C1NCCO2 C71233 [0,1,0,1,0,0|1,0,0]=3 405 B13R2.1613 NC[C@@H]1NCCC2=C1C=CC=C2 86157 [0,1,0,1,0,0|1,0,0]=3 406 B13R2.1613 NC[C@H]1CCCC2=C1C=CC=C2 AC7012 [0,1,0,1,0,0|1,0,0]=3 407 B13R2.1613 NC[C@H]1CCNC2=C1C=CC=C2 W15001 [0,1,0,1,0,0|1,0,0]=3 408 B13R2.1613 O=C[C@@H]1CCOC2=C1C=CC=C2 F31210 [0,1,0,1,0,0|1,0,1]=4 409 B13R2.2528 COC1=C(C2CNC2)C=CC=C1 85602 [0,1,0,1,0,0|0,0,0]=2 410 B13R2.5252 C=C1CCCCC2=C1C=CC=C2 O11475 [0,1,0,1,0,0|2,0,0]=4 411 B13R2.162 CC1=CC2=C(C=C1)CCNC2=O 55442 [0,1,0,1,0,0|2,0,0]=4 412 B13R2.162 N[C@@H]1COC2=C(C1)C(O)=CC=C2 66250 [0,1,0,1,0,0|0,0,0]=2 413 B13R2.162 O=C1NCCC2=C1C=C(I)C=C2 F52967 [0,1,0,1,0,0|2,0,0]=4 414 B13R2.162 S=C1NCCC2=C1C=C(Cl)C=C2 F12588 [0,1,0,1,0,0|2,0,0]=4 415 B13R2.623 COC1=C2C=NNC2=CC(C)=C1 I11262 [0,1,0,1,0,0|1,0,1]=4 416 B13R2.623 COC1=C2OCOC2=CC(Br)=C1 AC7237 [0,1,0,1,0,0|2,0,0]=4 417 B13R2.623 COC1=C2OCOC2=CC(O)=C1 D73789 [0,1,0,1,0,0|2,0,0]=4 418 B13R2.2082 COC1=C(C2CC2)C=CC(Cl)=C1 AC9035 [0,1,0,1,0,0|1,0,0]=3 419 B13R2.1 OCCC1=COC2=C1C=CC=C2 AC6763 [0,1,0,1,0,0|1,0,1]=4 420 B13R2.1 OCCC1=NOC2=C1C=CC=C2 F13381 [0,1,0,1,0,0|2,0,0]=4 421 B13R2.57 CN[C@@H]1CNC2=C(C=CC=C2)C1 C13061 [0,1,0,1,0,0|1,0,0]=3 422 B13R2.57 N#C[C@@H]1COC2=C(C=CC=C2)N1 F12434 [0,1,0,1,0,0|0,0,2]=4 423 B13R2.57 NC[C@@H]1COC2=C(C=CC=C2)C1 85682 [0,1,0,1,0,0|0,0,0]=2 424 B13R2.57 NC[C@H]1CC2=C(C=CC=C2)CN1 F13533 [0,1,0,1,0,0|2,0,0]=4 425 B13R2.57 NC[C@H]1CC2=C(C=CC=C2)CO1 AC5741 [0,1,0,1,0,0|2,0,0]=4 426 B13R2.57 NC[C@H]1CCC2=C(C=CC=C2)O1 50369 [0,1,0,1,0,0|1,0,0]=3 427 B13R2.57 NC[C@H]1COC2=C(C=CC=C2)N1 F12484 [0,1,0,1,0,0|0,0,0]=2 428 B13R2.57 NN[C@H]1CCC2=C(C=CC=C2)C1 D87945 [0,1,0,1,0,0|1,0,0]=3 429 B13R2.57 OC[C@H]1CCC2=C(C=CC=C2)N1 C75079 [0,1,0,1,0,0|2,0,0]=4 430 B13R2.57 OC[C@H]1CNC2=C(C=CC=C2)O1 VT1201 [0,1,0,1,0,0|2,0,0]=4 431 B13R2.57 OC[C@H]1COC2=C(C=CC=C2)N1 90254 [0,1,0,1,0,0|1,0,0]=3 432 B13R2.57 OC[C@H]1COC2=C(C=CC=N2)O1 W10535 [0,1,0,1,0,0|2,0,0]=4 433 B13R2.573 CCC1=C2OC[C@H](N)C2=CC=C1 N16576 [0,1,0,1,0,0|1,0,0]=3 434 B13R2.573 CCC1=C2OC[C@H](N)C2=CC=C1 N16577 [0,1,0,1,0,0|1,0,0]=3 435 B13R2.573 CCC1=C2OC[C@H](N)C2=CC=C1 N16578 [0,1,0,1,0,0|1,0,0]=3 436 B13R2.573 CCC1=CC=CC2=C1CC[C@@H]2N N11292 [0,1,0,1,0,0|1,0,0]=3 437 B13R2.573 COC1=C2C=CN(C)C2=CC=C1 S12063 [0,1,0,1,0,0|0,0,2]=4 438 B13R2.573 COC1=C2CC[C@H](N)C2=CC=C1 N11005 [0,1,0,1,0,0|0,0,0]=2 439 B13R2.573 COC1=C2CC[C@H](O)C2=CC=C1 N12758 [0,1,0,1,0,0|1,0,0]=3 440 B13R2.573 COC1=C2OC[C@H](N)C2=CC=C1 N10972 [0,1,0,1,0,0|0,0,0]=2 441 B13R2.573 COC1=C2OC[C@H](N)C2=CC=C1 N11233 [0,1,0,1,0,0|0,0,0]=2 442 B13R2.573 COC1=C2OC[C@H](N)C2=CC=C1 N11255 [0,1,0,1,0,0|0,0,0]=2 443 B13R2.573 COC1=CC=CC2=C1COC2=O 76158 [0,1,0,1,0,0|1,0,1]=4 444 B13R2.573 CSC1=C2OC[C@H](N)C2=CC=C1 N16540 [0,1,0,1,0,0|0,1,0]=3 445 B13R2.573 CSC1=C2OC[C@H](N)C2=CC=C1 N16541 [0,1,0,1,0,0|0,1,0]=3 446 B13R2.573 CSC1=C2OC[C@H](N)C2=CC=C1 N16542 [0,1,0,1,0,0|0,1,0]=3 447 B13R2.573 N#CC1=C2OC[C@H](N)C2=CC=C1 N16590 [0,1,0,1,0,0|2,0,0]=4 448 B13R2.135 CN[C@@H]1C2=C(C=CC=C2)C[C@@H]1O F50027 [0,1,0,1,0,0|2,0,0]=4 449 B13R2.292 CNCC1=C2OCOC2=CC=C1 Y11096 [0,1,0,1,0,0|2,0,0]=4 450 B13R2.292 N#CCC1=C2OCOC2=CC=C1 88221 [0,1,0,1,0,0|0,0,2]=4 451 B13R2.369 N[C@H]1CC2=C(C=CC=C2)NC1=O 81089 [0,1,0,1,0,0|1,0,1]=4 452 B13R2.66 COC1=C(C2CC2)C=C(C)C=C1 AC9576 [0,1,0,1,0,0|1,0,0]=3 453 B13R2.155 NC1=CC2=C(C=C1)CC[C@H](O)C2 94668 [0,1,0,1,0,0|2,0,0]=4 454 B13R2.155 N[C@@H]1COC2=C(C=C(Cl)C=C2)C1 E72383 [0,1,0,1,0,0|0,0,0]=2 455 B13R2.155 N[C@@H]1COC2=C(C=C(Cl)C=C2)C1 W14985 [0,1,0,1,0,0|0,0,0]=2 456 B13R2.155 O=C1COC2=C(C=C(Cl)C=C2)C1 36498 [0,1,0,1,0,0|1,0,1]=4 457 B13R2.155 O[C@H]1CCC2=C(C=C(Br)C=C2)C1 94667 [0,1,0,1,0,0|2,0,0]=4 458 B13R2.611 COC1=C2CCCC2=C(Br)C=C1 AT25821 [0,1,0,1,0,0|1,0,0]=3 459 B13R2.611 COC1=C2OCOC2=C(Br)C=C1 91390 [0,1,0,1,0,0|2,0,0]=4 460 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19619 [0,1,0,1,0,0|1,0,0]=3 461 B13R2.5179 C[C@@H]1NCCC2=C1C=CC(F)=C2 AT19620 [0,1,0,1,0,0|1,0,0]=3 462 B13R2.5179 NC1=CC2=C(C=C1)C(=O)NCC2 CS1458 [0,1,0,1,0,0|2,0,0]=4 463 B13R2.5179 O=C1COC2=C(Br)C=CC=C2C1 50664 [0,1,0,1,0,0|1,0,1]=4 464 B13R2.5514 CN(C)C1=C(C2CC2)C=CC=C1 AC9575 [0,1,0,1,0,0|2,0,0]=4 465 B13R2.5569 O=[N+]([O-])C1=C2CCNC2=CC=C1 A12881 [0,1,0,1,0,0|2,0,0]=4 466 B13R2.4818 CN1CCCC2=CC=CC(O)=C21 P11599 [0,1,0,1,0,0|2,0,0]=4 467 B9R1.33 CC1=C(CCN)N=CN1 C15676 [1,0,0,0,1,0|2,0,0]=4 468 B9R1.33 CC1=C(CCN)N=CO1 AT18666 [1,0,0,0,1,0|2,0,0]=4 469 B9R1.33 CC1=C(CCN)SC=N1 D84303 [1,0,0,0,1,0|2,0,0]=4 470 B9R1.33 CN1C=CN=C1CCN AT24187 [1,0,0,0,1,0|2,0,0]=4