0 B11R1.86 CC(C)NC1=NC=CC=C1N P47054 [0,0,0,0,0,0|3,0,0]=3 1 B11R1.86 CC(C)OC1=C(Br)C=CC=C1 B50144 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.86 CC(C)OC1=C(Br)C=CC=N1 B46784 [0,0,0,0,0,0|3,0,0]=3 3 B11R1.86 CC(C)OC1=C(N)C=CC=C1 P67507 [0,0,0,0,0,0|4,0,0]=4 4 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P50385 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.86 CC(C)SC1=C(N)C=CC=C1 P60671 [0,0,0,0,0,0|4,0,0]=4 6 B11R1.86 CC1=NC=CN=C1CC(C)C B50395 [0,0,0,0,0,0|0,0,0]=0 7 B11R1.86 O=C(O)CC1=NC=CN=C1Cl C14611 [0,0,0,0,0,0|3,0,1]=4 8 B11R1.86 O=C([O-])CC1=NC=CN=C1Cl S27650 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.4 CC1=C(CCO)C=CC=C1 T50264 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.4 CCNC1=NC=CN=C1N E63353 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.4 CCOC1=C(I)C=CC=N1 E46225 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.4 CCOC1=NC=CN=C1Br B43051 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.4 CCOC1=NC=CN=C1N A36915 [1,0,0,0,0,0|2,0,0]=3 14 B10R1.4 CNCC1=C(C)C=CC=C1 M50314 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.4 CNCC1=C(F)C=CC=N1 F14667 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.4 N#CCC1=NC=CN=C1Cl C11546 [1,0,0,0,0,0|2,0,1]=4 17 B10R1.4 NCCC1=C(Br)C=CC=N1 B14102 [1,0,0,0,0,0|3,0,0]=4 18 B10R1.18 CC(=O)CC1=NC=CC=C1 P15826 [1,0,0,0,0,0|2,0,1]=4 19 B10R1.18 CC(C)NC1=CC=CC=C1 P69278 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.18 CC(C)NC1=NC=CC=N1 I39098 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.18 CC(C)OC1=CN=CC=C1 P46891 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.18 CC(C)OC1=NC=CC=C1 P46890 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.18 O=C(O)CC1=NC=CN=C1 P12241 [1,0,0,0,0,0|2,0,1]=4 24 B12R1.75 CC(C)OC1=C(C=O)C=CC=N1 P50039 [0,1,0,0,0,0|2,0,1]=4 25 B12R1.127 CC1=C(OC(C)C)C=C(N)C=C1 P54195 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.151 CC(C)(C)SC1=C(N)N=CC=C1 B7840 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.233 CC1=CC(Br)=C(OC(C)C)N=C1 B50255 [0,1,0,0,0,0|3,0,0]=4 28 B12R2.24 C[C@@H]1CNC2=C(C=CC=C2)C1 M52877 [0,0,0,1,0,0|3,0,0]=4 29 B12R2.24 C[C@H]1CCC2=C(C=CC=C2)N1 T69232 [0,0,0,1,0,0|3,0,0]=4 30 B12R2.24 N[C@@H]1CCC2=C(C=CC=C2)C1 T52882 [0,0,0,1,0,0|3,0,0]=4 31 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T52883 [0,0,0,1,0,0|3,0,0]=4 32 B12R2.24 N[C@H]1CCC2=C(C=CC=C2)C1 T54140 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.24 N[C@H]1CCC2=CC=CN=C2C1 T37224 [0,0,0,1,0,0|2,0,0]=3 34 B12R2.24 O[C@H]1CCC2=C(C=CC=C2)C1 T38300 [0,0,0,1,0,0|3,0,0]=4 35 B10R1.61 CC(=O)C1=C(C)N=CC=C1 M21788 [0,0,0,0,1,0|2,0,1]=4 36 B10R1.61 CC(=O)C1=NC=CN=C1C M45981 [0,0,0,0,1,0|1,0,1]=3 37 B10R1.61 CC(=O)C1=NC=CN=C1Cl A11547 [0,0,0,0,1,0|2,0,1]=4 38 B10R1.61 CC(=O)C1=NC=CN=C1N A14612 [0,0,0,0,1,0|2,0,1]=4 39 B10R1.61 CC(C)C1=C(Br)C=CC=C1 B49961 [0,0,0,0,1,0|3,0,0]=4 40 B10R1.61 CC(C)C1=C(I)C=CC=C1 K49972 [0,0,0,0,1,0|3,0,0]=4 41 B10R1.61 CC(C)C1=C([Mg+])C=CC=C1 P31757 [0,0,0,0,1,0|3,0,0]=4 42 B10R1.61 CC(C)C1=CC=CN=C1Br B32081 [0,0,0,0,1,0|2,0,0]=3 43 B10R1.61 CC(C)C1=CC=CN=C1Cl C36678 [0,0,0,0,1,0|2,0,0]=3 44 B10R1.61 CC(C)C1=CN=CN=C1Cl C37692 [0,0,0,0,1,0|3,0,0]=4 45 B10R1.61 CC(C)C1=NC=CC=C1N P46959 [0,0,0,0,1,0|2,0,0]=3 46 B10R1.61 CC1=C([C@@H](C)N)C=CC=C1 T52160 [0,0,0,0,1,0|3,0,0]=4 47 B10R1.61 CC1=C([C@H](C)N)C=CC=C1 T52162 [0,0,0,0,1,0|3,0,0]=4 48 B10R1.61 CC1=NC=CN=C1C(=O)O M7738 [0,0,0,0,1,0|2,0,1]=4 49 B10R1.61 CN(C)C1=NC=CN=C1Cl C43272 [0,0,0,0,1,0|2,0,0]=3 50 B10R1.61 CN(C)C1=NC=CN=C1N A41445 [0,0,0,0,1,0|2,0,0]=3 51 B10R1.61 C[C@H](O)C1=C(Br)C=CC=N1 B37274 [0,0,0,0,1,0|3,0,0]=4 52 B10R1.61 C[C@H](O)C1=C(N)N=CC=C1 A65242 [0,0,0,0,1,0|3,0,0]=4 53 B10R1.61 C[C@H](O)C1=CC=CN=C1Cl C46191 [0,0,0,0,1,0|3,0,0]=4 54 B9R1.8 CCCC1=NC=CC=C1 P46859 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.8 CCCC1=NC=CN=C1 P43598 [2,0,0,0,0,0|0,0,0]=2 56 B9R1.8 CCNC1=NC=CN=C1 E43330 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.8 CCOC1=NC=CC=C1 E46369 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.8 CNCC1=NC=CN=C1 M14584 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.8 COCC1=NC=CC=C1 M46377 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.8 NCCC1=CC=CN=C1 P43605 [2,0,0,0,0,0|2,0,0]=4 61 B9R1.8 NCCC1=NC=CC=C1 P67673 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.8 NNCC1=NC=CN=C1 H7534 [2,0,0,0,0,0|2,0,0]=4 63 B9R1.8 OCCC1=CN=CC=C1 P46376 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.8 OCCC1=NC=CN=C1 P24824 [2,0,0,0,0,0|1,0,0]=3 65 B9R1.15 CC1=C(CBr)C=CC=N1 B15311 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 CC1=C(CCl)C=CC=N1 C14756 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 CC1=CC=CN=C1CCl C14758 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 CC1=CC=CN=C1CCl C46105 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.15 CC1=CC=CN=C1CN M46460 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 CC1=CC=CN=C1CO H46388 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.15 CC1=NC=CN=C1C=O M14617 [2,0,0,0,0,0|1,0,1]=4 72 B9R1.15 CC1=NC=CN=C1CCl C14615 [2,0,0,0,0,0|1,0,0]=3 73 B9R1.15 CC1=NC=CN=C1CN A11549 [2,0,0,0,0,0|1,0,0]=3 74 B9R1.15 CC1=NC=CN=C1CO H14616 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.15 CCC1=C(Br)C=CC=N1 B23432 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 CCC1=C(C)C=CC=C1 E50165 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.15 CCC1=NC=CN=C1C E43603 [2,0,0,0,0,0|0,0,0]=2 78 B9R1.15 CCC1=NC=CN=C1Cl C38966 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.15 CCC1=NC=CN=C1N E43328 [2,0,0,0,0,0|1,0,0]=3 80 B9R1.15 CCC1=NC=CNC1=O E43188 [2,0,0,0,0,0|1,0,1]=4 81 B9R1.15 CNC1=NC=CN=C1N M63361 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.15 COC1=NC=CC=C1C M46378 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.15 COC1=NC=CN=C1Br B40912 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.15 COC1=NC=CN=C1C M39278 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.15 COC1=NC=CN=C1Cl C1053 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.15 COC1=NC=CN=C1I I3006 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.15 COC1=NC=CN=C1N M32096 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.15 CSC1=NC=CN=C1C M43263 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.15 ClCC1=NC=CN=C1Cl C12594 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.15 NCC1=NC=CN=C1Cl C25893 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.15 NCC1=NC=CN=C1Cl C26687 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.15 OCC1=NC=CN=C1Cl C1612 [2,0,0,0,0,0|2,0,0]=4 93 B11R1.81 CCOC1=C(C)N=C(N)C=C1 E46978 [1,1,0,0,0,0|2,0,0]=4 94 B11R1.182 CCOC1=C(N)N=CC(Br)=N1 A69486 [1,1,0,0,0,0|2,0,0]=4 95 B11R1.222 CC[C@@H](N)C1=C(C)C=CC=C1 T54184 [1,1,0,0,0,0|2,0,0]=4 96 B11R1.222 COC(=O)C1=NC=CN=C1C M23587 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.20 CC(C)CC1=CC=C(Br)C=C1 B52869 [1,1,0,0,0,0|2,0,0]=4 98 B11R1.20 CC(C)OC1=CN=C(Cl)C=C1 C37509 [1,1,0,0,0,0|2,0,0]=4 99 B11R1.20 CC(C)OC1=NC=C(Br)C=C1 B46786 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.20 CC(C)OC1=NC=C(N)C=C1 P59792 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.20 CC(C)OC1=NC=C(O)C=C1 P63580 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.36 CC(C)[C@@H](N)C1=CC=CC=C1 M39089 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M36968 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.36 CC(C)[C@H](N)C1=CC=CC=C1 M53117 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.40 COC(=O)CC1=NC=CN=C1 M12293 [1,1,0,0,0,0|1,0,1]=4 106 B11R1.157 CC(C)CC1=CC=CC(Br)=C1 B52868 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.157 CC(C)OC1=NC=CC(Br)=C1 B46785 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.509 CC(C)(C)OC1=CN=CC=C1 B50336 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.509 CC(C)(C)OC1=NC=CC=C1 B50335 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.53 CC(C)C1=C(CBr)C=CC=C1 B11974 [0,1,0,0,1,0|2,0,0]=4 111 B11R1.53 CCC1=NC=CN=C1C(C)=O E46656 [0,1,0,0,1,0|1,0,1]=4 112 B11R1.87 CC(C)(O)C1=C(Br)C=CC=N1 B37253 [0,1,0,0,1,0|2,0,0]=4 113 B11R1.159 CC1=C(N)C(C(C)C)=NC=C1 P69106 [0,1,0,0,1,0|2,0,0]=4 114 B13R1.164 CC(C)COC1=NC=C(Br)C=C1Cl B18461 [0,1,0,0,0,1|2,0,0]=4 115 B13R1.589 CC(=O)C1=C(OC(C)C)N=CC=C1 P52960 [0,2,0,0,0,0|2,0,0]=4 116 B13R1.876 CC1=NC(C)=C(C)N=C1CC(C)C B55011 [0,2,0,0,0,0|0,0,0]=2 117 B11R2.10 C[C@H]1CC2=CC=CN=C2N1 D64809 [1,0,0,1,0,0|2,0,0]=4 118 B11R2.20 C1=CN=C2CCCCC2=C1 T64966 [1,0,0,1,0,0|1,0,0]=3 119 B11R2.20 C1=CN=C2CCCCC2=N1 T39429 [1,0,0,1,0,0|0,0,0]=2 120 B11R2.20 C1=CN=C2CCCNC2=C1 T32362 [1,0,0,1,0,0|2,0,0]=4 121 B11R2.20 C1=CN=C2CCNCC2=C1 T23208 [1,0,0,1,0,0|2,0,0]=4 122 B11R2.20 C1=CN=C2CCNCC2=C1 T4076 [1,0,0,1,0,0|2,0,0]=4 123 B11R2.20 C1=CN=C2CCNCC2=C1 T5331 [1,0,0,1,0,0|2,0,0]=4 124 B11R2.20 C1=CN=C2CNCCC2=C1 T13476 [1,0,0,1,0,0|2,0,0]=4 125 B11R2.20 C1=CN=C2CNCCC2=C1 T18760 [1,0,0,1,0,0|2,0,0]=4 126 B11R2.20 C1=CN=C2CNCCC2=C1 T23221 [1,0,0,1,0,0|2,0,0]=4 127 B11R2.20 C1=CN=C2NCCCC2=C1 T37326 [1,0,0,1,0,0|2,0,0]=4 128 B11R2.55 BrC1=C(C2CC2)N=CC=C1 B48876 [1,0,0,1,0,0|2,0,0]=4 129 B11R2.55 BrC1=NC=CC=C1C2CC2 B48874 [1,0,0,1,0,0|2,0,0]=4 130 B11R2.55 ClC1=NC=CC=C1C2CC2 C48880 [1,0,0,1,0,0|2,0,0]=4 131 B11R2.55 FC1=NC=CC=C1C2CC2 C48886 [1,0,0,1,0,0|2,0,0]=4 132 B11R2.55 NC1=NC=CC=C1C2CC2 C46639 [1,0,0,1,0,0|2,0,0]=4 133 B11R2.106 CC1=C2CCCC2=CC=C1 M52674 [1,0,0,1,0,0|2,0,0]=4 134 B11R2.1 C[C@H]1CCC2=NC=CN=C21 M46644 [0,0,0,1,1,0|0,0,0]=2 135 B11R2.1 N[C@H]1CCC2=CC=CN=C21 D49490 [0,0,0,1,1,0|2,0,0]=4 136 B11R2.1 O[C@H]1CCC2=CC=CN=C21 D67550 [0,0,0,1,1,0|2,0,0]=4 137 B11R2.36 CN1CCC2=C(C1)NC=N2 M46597 [0,0,0,1,1,0|1,0,1]=4 138 B11R2.36 CN1CCC2=C(C1)SC=N2 M43689 [0,0,0,1,1,0|2,0,0]=4 139 B11R2.36 O[C@H]1CCC2=NC=CN2C1 T37484 [0,0,0,1,1,0|2,0,0]=4 140 B13R2.3097 CC1=C([C@@H](N)C2CC2)C=CC=C1 C55482 [0,1,0,1,0,0|2,0,0]=4 141 B13R2.3097 CC1=CC=CN=C1[C@@H](N)C2CC2 C54236 [0,1,0,1,0,0|1,0,0]=3 142 B13R2.155 CN1CCC2=NC=C(N)C=C2C1 A50325 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.33 CC1=C(CCN)SC=N1 M3229 [1,0,0,0,1,0|2,0,0]=4 144 B9R1.33 CC1=C(CCO)N=CS1 M43392 [1,0,0,0,1,0|2,0,0]=4 145 B9R1.33 CC1=C(CCO)SC=N1 M68882 [1,0,0,0,1,0|2,0,0]=4 146 B9R1.33 CC1=NC=CN1CCN M43556 [1,0,0,0,1,0|2,0,0]=4 147 B9R1.33 CCOC1=C(C)N=CO1 E43381 [1,0,0,0,1,0|2,0,0]=4 148 B9R1.6 CC(=O)C1=NC=CN=C1 A39262 [1,0,0,0,1,0|1,0,1]=4 149 B9R1.6 CC(C)C1=NC=CC=C1 I0627 [1,0,0,0,1,0|1,0,0]=3 150 B9R1.6 C[C@@H](N)C1=CC=CN=C1 P43620 [1,0,0,0,1,0|2,0,0]=4 151 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P43619 [1,0,0,0,1,0|2,0,0]=4 152 B9R1.6 C[C@@H](N)C1=NC=CC=C1 P46583 [1,0,0,0,1,0|2,0,0]=4 153 B9R1.6 C[C@@H](O)C1=NC=CC=C1 P46382 [1,0,0,0,1,0|2,0,0]=4 154 B9R1.6 C[C@H](Br)C1=NC=CN=C1 B42963 [1,0,0,0,1,0|1,0,0]=3 155 B9R1.6 C[C@H](N)C1=CC=CN=C1 P43604 [1,0,0,0,1,0|2,0,0]=4 156 B9R1.6 C[C@H](N)C1=CC=CN=C1 P46585 [1,0,0,0,1,0|2,0,0]=4 157 B9R1.6 C[C@H](N)C1=CC=CN=C1 P61653 [1,0,0,0,1,0|2,0,0]=4 158 B9R1.6 C[C@H](N)C1=NC=CC=C1 P43621 [1,0,0,0,1,0|2,0,0]=4 159 B9R1.6 C[C@H](N)C1=NC=CC=C1 P66366 [1,0,0,0,1,0|2,0,0]=4 160 B9R1.6 C[C@H](N)C1=NC=CN=C1 P14583 [1,0,0,0,1,0|1,0,0]=3 161 B9R1.6 C[C@H](O)C1=NC=CC=C1 P46375 [1,0,0,0,1,0|2,0,0]=4 162 B9R1.6 C[C@H](O)C1=NC=CN=C1 P43187 [1,0,0,0,1,0|1,0,0]=3