0 B10R1.21 BrCCCCN1C=CN=N1 AC4803 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.21 BrCCCCN1C=NC=N1 AC2906 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.21 CCCCCN1C=CN=C1 AC5153 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.21 CNCCCN1C=CN=C1 72851 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.21 OCCNCC1=CC=CO1 F16080 [0,0,0,0,0,0|2,1,0]=3 5 B9R1.12 CNCCC1=CC=CS1 AT16732 [1,0,0,0,0,0|1,0,0]=2 6 B9R1.12 CNCCC1=CN=CN1 D86292 [1,0,0,0,0,0|3,0,0]=4 7 B9R1.12 ICCCC1=CC=CS1 AC6959 [1,0,0,0,0,0|1,0,0]=2 8 B9R1.12 NCCCC1=NC=CN1 F10426 [1,0,0,0,0,0|3,0,0]=4 9 B9R1.12 NCCCC1=NN=CS1 AT18988 [1,0,0,0,0,0|3,0,0]=4 10 B9R1.12 OCCNC1=NC=CS1 AT14889 [1,0,0,0,0,0|3,0,0]=4 11 B11R1.4 BrCCCCCN1C=CN=N1 AC5229 [0,1,0,0,0,0|3,0,0]=4 12 B11R1.4 BrCCCCCN1C=NC=N1 AC3871 [0,1,0,0,0,0|3,0,0]=4 13 B11R1.4 CCCCOCC1=CC=CO1 S11931 [0,1,0,0,0,0|0,1,0]=2 14 B11R1.25 COC(=O)CCC1=CC=CS1 C91137 [0,1,0,0,0,0|1,0,1]=3 15 B11R1.27 CC1=CC=C(CNCCO)S1 F16386 [0,1,0,0,0,0|2,0,0]=3 16 B11R1.29 CCCCC(=O)C1=CC=CO1 N14288 [0,1,0,0,0,0|0,1,1]=3 17 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16698 [0,1,0,0,0,0|0,1,0]=2 18 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16699 [0,1,0,0,0,0|0,1,0]=2 19 B11R1.29 CCCC[C@H](N)C1=CC=CO1 N16700 [0,1,0,0,0,0|0,1,0]=2 20 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16729 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16730 [0,1,0,0,0,0|2,0,0]=3 22 B11R1.29 CCCC[C@H](N)C1=COC=C1 N16731 [0,1,0,0,0,0|2,0,0]=3 23 B11R1.29 NCCNC(=O)C1=CC=CS1 F21146 [0,1,0,0,0,0|2,0,1]=4 24 B11R1.30 CCOC(=O)CC1=CC=CN1 P11574 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.30 CCOC(=O)NC1=CC=CS1 AC2824 [0,1,0,0,0,0|2,0,1]=4 26 B9R0.45 C=CCCCCCCCC T73018 [0,0,1,0,0,0|1,0,2]=4 27 B9R0.45 C\C=C/CCCCCCC T70533 [0,0,1,0,0,0|1,0,2]=4 28 B11R2.2 C1=CN(C2CCCC2)C=N1 AC6677 [0,0,0,1,0,0|3,0,0]=4 29 B11R2.2 C1=CN([C@H]2CCOC2)N=C1 W15558 [0,0,0,1,0,0|3,0,0]=4 30 B11R2.2 C1=CNC([C@@H]2CCCN2)=C1 N12568 [0,0,0,1,0,0|2,0,0]=3 31 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N16712 [0,0,0,1,0,0|1,1,0]=3 32 B11R2.2 C1=COC([C@@H]2CCCN2)=C1 N16713 [0,0,0,1,0,0|1,1,0]=3 33 B11R2.2 C1=CSC(C2OCCO2)=N1 P10341 [0,0,0,1,0,0|3,0,0]=4 34 B11R2.2 C1=CSC([C@@H]2CCCN2)=C1 N12499 [0,0,0,1,0,0|1,0,0]=2 35 B11R2.2 C1=NC([C@@H]2CCCN2)=CS1 N14695 [0,0,0,1,0,0|3,0,0]=4 36 B11R2.18 C1=CC2=C(CCCNC2)S1 D86998 [0,0,0,1,0,0|1,0,0]=2 37 B11R2.18 C1=CC2=C(CNCCC2)S1 70776 [0,0,0,1,0,0|1,0,0]=2 38 B11R2.18 C1=NC2=C(CCNCC2)N1 72475 [0,0,0,1,0,0|3,0,0]=4 39 B11R2.18 C1=NC2=C(CCNCC2)N1 W10124 [0,0,0,1,0,0|3,0,0]=4 40 B11R2.18 C1=NC2=C(CCNCC2)S1 F30392 [0,0,0,1,0,0|2,0,0]=3 41 B11R2.18 C1=NNC2=C1CCCNC2 C92323 [0,0,0,1,0,0|3,0,0]=4 42 B11R2.106 C[C@@H]1NCCC2=C1N=CN2 W14997 [0,0,0,1,0,0|3,0,0]=4 43 B11R1.28 CCCCNC1=CC=NC=C1 F21501 [0,0,0,0,0,1|2,0,0]=3 44 B11R1.28 CCNCCC1=CC=CC=C1 AC5622 [0,0,0,0,0,1|2,0,0]=3 45 B11R1.28 OCCCCC1=CC=NC=C1 31475 [0,0,0,0,0,1|2,0,0]=3 46 B8R1.8 BrCCC1=CC=CS1 F20027 [2,0,0,0,0,0|1,0,0]=3 47 B8R1.8 CNCC1=CN=CS1 71400 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.8 CNCC1=NC=CS1 AT10974 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.8 NCCC1=NC=CS1 F51904 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.8 NNCC1=CC=CS1 P10519 [2,0,0,0,0,0|2,0,0]=4 51 B8R1.8 O=CCC1=CC=CS1 O10539 [2,0,0,0,0,0|1,0,1]=4 52 B10R0.91 CCCCC[C@H](O)\C=C\C=O AC8369 [0,1,1,0,0,0|0,1,1]=4 53 B10R0.4 CCCCCC\C=C\C(=O)O A11728 [0,1,1,0,0,0|0,1,1]=4 54 B10R1.11 CCCC(=O)C1=CC=CO1 N14287 [1,1,0,0,0,0|0,1,1]=4 55 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16695 [1,1,0,0,0,0|0,1,0]=3 56 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16696 [1,1,0,0,0,0|0,1,0]=3 57 B10R1.11 CCC[C@H](N)C1=CC=CO1 N16697 [1,1,0,0,0,0|0,1,0]=3 58 B10R1.11 CCC[C@H](N)C1=CC=CS1 Y14857 [1,1,0,0,0,0|0,0,0]=2 59 B10R1.11 CCC[C@H](N)C1=COC=C1 N16726 [1,1,0,0,0,0|2,0,0]=4 60 B10R1.11 CCC[C@H](N)C1=COC=C1 N16727 [1,1,0,0,0,0|2,0,0]=4 61 B10R1.11 CCC[C@H](N)C1=COC=C1 N16728 [1,1,0,0,0,0|2,0,0]=4 62 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N13126 [1,1,0,0,0,0|1,1,0]=4 63 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16710 [1,1,0,0,0,0|1,1,0]=4 64 B10R1.11 N[C@@H](CCO)C1=CC=CO1 N16711 [1,1,0,0,0,0|1,1,0]=4 65 B10R1.11 N[C@@H](CCO)C1=CC=CS1 N12967 [1,1,0,0,0,0|1,0,0]=3 66 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14689 [1,1,0,0,0,0|2,0,0]=4 67 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14690 [1,1,0,0,0,0|2,0,0]=4 68 B10R1.11 N[C@@H](CCO)C1=NC=CS1 N14691 [1,1,0,0,0,0|2,0,0]=4 69 B10R1.11 O=C(CCCl)C1=CC=CS1 D76604 [1,1,0,0,0,0|1,0,1]=4 70 B10R1.16 CC1=CC=C(CCCN)S1 W12103 [1,1,0,0,0,0|1,0,0]=3 71 B12R1.1 CCCCOC1=NC=C(Br)C=C1 F19758 [0,1,0,0,0,1|2,0,0]=4 72 B12R1.1 CCCNCC1=CC=C(Br)C=C1 C77919 [0,1,0,0,0,1|2,0,0]=4 73 B12R1.1 CCCNCC1=CC=C(C)C=C1 C78190 [0,1,0,0,0,1|2,0,0]=4 74 B12R1.1 CCCNCC1=CC=C(Cl)C=C1 C78300 [0,1,0,0,0,1|2,0,0]=4 75 B12R1.1 CCCNCC1=CC=C(F)C=C1 C78430 [0,1,0,0,0,1|2,0,0]=4 76 B12R1.1 CNCCCC1=CC=C(Br)C=C1 C78538 [0,1,0,0,0,1|2,0,0]=4 77 B12R1.1 CNCCCC1=CC=C(F)C=C1 C78234 [0,1,0,0,0,1|2,0,0]=4 78 B12R1.1 [O-][N+]1=CC=C(CCCCCl)C=C1 44579 [0,1,0,0,0,1|2,0,0]=4 79 B12R1.8 CCCNCCC1=NC=CC=C1 76839 [0,1,0,0,0,1|1,0,0]=3 80 B12R1.8 CNCCCOC1=CC=CC=C1 C77854 [0,1,0,0,0,1|2,0,0]=4 81 B12R1.28 BrCCCCC1=CC=CC(Br)=C1 AT22149 [0,1,0,0,0,1|2,0,0]=4 82 B12R1.28 CCCCCC1=CC=CC(=O)O1 T70705 [0,1,0,0,0,1|0,1,0]=3 83 B12R1.28 CCCNCC1=CC(C)=CC=C1 C77940 [0,1,0,0,0,1|2,0,0]=4 84 B12R1.28 CCCNCC1=CC=CC(Br)=C1 C78566 [0,1,0,0,0,1|2,0,0]=4 85 B12R1.28 CCCNCC1=CC=CC(Cl)=C1 C78191 [0,1,0,0,0,1|2,0,0]=4 86 B12R1.28 CCCNCC1=CC=CC(F)=C1 C78563 [0,1,0,0,0,1|2,0,0]=4 87 B12R1.28 OCCCCC1=CC=CC(Br)=C1 AT22147 [0,1,0,0,0,1|2,0,0]=4 88 B12R1.30 CCCCC(=O)C1=CC=NC=C1 N14246 [0,1,0,0,0,1|1,0,1]=4 89 B12R1.30 CCCCC(=O)C1=NC=CC=C1 N12234 [0,1,0,0,0,1|1,0,1]=4 90 B12R1.30 CCCC[C@H](N)C1=CC=NC=C1 N12642 [0,1,0,0,0,1|1,0,0]=3 91 B12R1.30 CCCC[C@H](N)C1=NC=CC=C1 N12541 [0,1,0,0,0,1|1,0,0]=3 92 B12R1.30 CCOC[C@H](N)C1=CC=CC=C1 D73857 [0,1,0,0,0,1|2,0,0]=4 93 B12R1.252 CC(=O)CCCC1=CN=CC=C1 F53170 [0,1,0,0,0,1|1,0,1]=4 94 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92726 [0,1,0,0,0,1|2,0,0]=4 95 B12R1.252 C[C@H](Br)COCC1=CC=CC=C1 C92727 [0,1,0,0,0,1|2,0,0]=4 96 B12R1.252 C[C@H](O)CCCC1=CN=CC=C1 F53169 [0,1,0,0,0,1|1,0,0]=3 97 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AC4615 [0,1,0,0,0,1|2,0,0]=4 98 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 AT23036 [0,1,0,0,0,1|2,0,0]=4 99 B12R1.252 C[C@H](O)CNCC1=CC=CC=C1 D71911 [0,1,0,0,0,1|2,0,0]=4 100 B12R1.267 BrCCCCC1=C(Br)C=CC=C1 AT22148 [0,1,0,0,0,1|2,0,0]=4 101 B12R1.267 CCCNCC1=C(Br)C=CC=C1 C78484 [0,1,0,0,0,1|2,0,0]=4 102 B12R1.267 CCCNCC1=C(C)C=CC=C1 C78482 [0,1,0,0,0,1|2,0,0]=4 103 B12R1.267 CCCNCC1=C(Cl)C=CC=C1 C78483 [0,1,0,0,0,1|2,0,0]=4 104 B12R1.267 CCCNCC1=C(F)C=CC=C1 C78370 [0,1,0,0,0,1|2,0,0]=4 105 B12R1.267 CCNCCC1=C(F)C=CC=C1 AC6701 [0,1,0,0,0,1|2,0,0]=4 106 B12R1.35 NCCCNC(=O)C1=CC=CS1 F21100 [0,2,0,0,0,0|1,0,1]=4 107 B12R1.37 CCCCCCCC1=CNC=C1 T73026 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.37 CCCCCCCC1=CSC=C1 T72775 [0,2,0,0,0,0|2,0,0]=4 109 B12R1.37 CCCCCCSC1=CC=CS1 E10053 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.51 CCOC(=O)CCC1=CC=CN1 D87708 [0,2,0,0,0,0|1,0,1]=4 111 B12R1.372 CCCCCCC1=C(Cl)SC=C1 T71352 [0,2,0,0,0,0|2,0,0]=4 112 B12R1.108 COC(=O)[C@@H](N)CC1=CC=CS1 N12870 [0,2,0,0,0,0|1,0,1]=4 113 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16753 [0,2,0,0,0,0|0,1,0]=3 114 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16754 [0,2,0,0,0,0|0,1,0]=3 115 B12R1.29 CCCC[C@H](N)C1=CC=C(C)O1 N16755 [0,2,0,0,0,0|0,1,0]=3 116 B12R1.31 CCOC(=O)CC1=CC=C(C)S1 94301 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.55 CCC[C@H](Br)C(=O)C1=CC=CS1 C11139 [0,2,0,0,0,0|0,0,1]=3 118 B12R1.55 CCOC(=O)[C@H](Br)C1=CC=CS1 93385 [0,2,0,0,0,0|1,0,1]=4 119 B10R2.7 C1=CC2=C(CNCC2)S1 P10653 [1,0,0,1,0,0|1,0,0]=3 120 B12R2.1 CN[C@H]1CCC2=C1C=CC=C2 AT22267 [0,0,0,1,0,1|2,0,0]=4 121 B12R2.1 NC[C@H]1CCC2=C1C=CC=C2 20176 [0,0,0,1,0,1|2,0,0]=4 122 B12R2.1 NC[C@H]1CCC2=CC=CN=C21 C77541 [0,0,0,1,0,1|2,0,0]=4 123 B12R2.1 OC[C@H]1CCC2=C1C=CC=C2 AC3163 [0,0,0,1,0,1|2,0,0]=4 124 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 CS3573 [0,0,0,1,0,1|2,0,0]=4 125 B12R2.2 C1=CC([C@@H]2CCCN2)=CC=N1 CS3576 [0,0,0,1,0,1|2,0,0]=4 126 B12R2.2 C1=CN=C(C2CCCC2)C=C1 C91562 [0,0,0,1,0,1|1,0,0]=3 127 B12R2.2 C1=CN=C([C@@H]2CCCN2)C=C1 Y11599 [0,0,0,1,0,1|2,0,0]=4 128 B12R2.2 C1=CN=C([C@@H]2CCCN2)N=C1 F53377 [0,0,0,1,0,1|2,0,0]=4 129 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 N14317 [0,0,0,1,0,1|2,0,0]=4 130 B12R2.2 C1=CN=CC([C@@H]2CCCN2)=C1 Y10529 [0,0,0,1,0,1|2,0,0]=4 131 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 27259 [0,0,0,1,0,1|2,0,0]=4 132 B12R2.2 C1=CN=CC([C@H]2CCNC2)=C1 50282 [0,0,0,1,0,1|2,0,0]=4 133 B12R2.27 BrC[C@@H]1C[C@@H]1C2=CC=CC=C2 55233 [0,0,0,1,0,1|2,0,0]=4 134 B12R2.27 BrC[C@H]1C[C@@H]1C2=CC=CC=C2 55239 [0,0,0,1,0,1|2,0,0]=4 135 B12R2.27 OCC1CC1C2=NC=CC=C2 91729 [0,0,0,1,0,1|2,0,0]=4 136 B12R2.27 OC[C@H]1C[C@@H]1C2=NC=CC=C2 91718 [0,0,0,1,0,1|2,0,0]=4 137 B12R2.41 C1=CC2=C(C=N1)NCCCC2 D87077 [0,0,0,1,0,1|2,0,0]=4 138 B12R2.41 C1=CN=C2CCCCCC2=C1 F53451 [0,0,0,1,0,1|1,0,0]=3 139 B12R2.1081 C[C@H]1CNCC2=C1C=CC=C2 71815 [0,0,0,1,0,1|2,0,0]=4 140 B12R2.1081 Cl[C@H]1CCCC2=C1C=CC=C2 A11734 [0,0,0,1,0,1|2,0,0]=4 141 B12R2.1081 Cl[C@H]1CCCC2=CC=CN=C21 P16790 [0,0,0,1,0,1|2,0,0]=4 142 B12R2.1081 N[C@H]1CCCC2=C1C=NC=C2 F13769 [0,0,0,1,0,1|2,0,0]=4 143 B12R2.1081 N[C@H]1CCCC2=CC=CN=C21 22992 [0,0,0,1,0,1|2,0,0]=4 144 B12R2.1081 O[C@H]1CCCC2=C1C=CC=N2 90007 [0,0,0,1,0,1|2,0,0]=4 145 B12R2.1081 O[C@H]1CCCC2=CC=CN=C21 AC7539 [0,0,0,1,0,1|2,0,0]=4 146 B12R2.2057 C1=CC(CNC2CC2)=CC=N1 AC5083 [0,0,0,1,0,1|2,0,0]=4 147 B12R2.6 CC1=CC=C([C@@H]2CCCN2)S1 77480 [0,1,0,1,0,0|1,0,0]=3 148 B12R2.6 IC1=CN(C2CCCC2)N=C1 86492 [0,1,0,1,0,0|2,0,0]=4 149 B12R2.6 OC1=CN(C2CCCC2)N=C1 AT11993 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.1041 CC1=CC2=C(CCCNC2)N1 AT13733 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.1041 NC1=NC2=C(CCNCC2)S1 81907 [0,1,0,1,0,0|2,0,0]=4 152 B12R2.1354 O=C(O)C1CC1C2=CC=CS2 AT22396 [0,1,0,1,0,0|1,0,1]=4