0 B10R1.17 C=CCNC1=CC=CC=C1 HY-W087043 [0,0,0,0,0,0|2,0,1]=3 1 B10R1.17 CNCCC1=CC=CC=C1 HY-30170 [0,0,0,0,0,0|2,0,0]=2 2 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [0,0,0,0,0,0|3,0,0]=3 3 B10R1.17 CNCCC1=NC=CC=C1 HY-B0524 [0,0,0,0,0,0|3,0,0]=3 4 B10R1.17 CNCCC1=NC=CC=C1 HY-D0237 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.17 O=C\C=C\C1=CC=CC=C1 HY-W019711 [0,0,0,0,0,0|0,0,4]=4 6 B10R1.17 OCCCC1=CC=CC=C1 HY-41304 [0,0,0,0,0,0|0,0,0]=0 7 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729 [0,0,0,0,0,0|1,0,0]=1 8 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729R [0,0,0,0,0,0|1,0,0]=1 9 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-N1867 [0,0,0,0,0,0|0,0,2]=2 10 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-Y0078 [0,0,0,0,0,0|0,0,2]=2 11 B10R1.17 S=C=NCC1=CC=CC=C1 HY-77813 [0,0,0,0,0,0|1,1,1]=3 12 B9R1.8 BrCCC1=CC=CC=C1 HY-Y0199 [1,0,0,0,0,0|1,0,0]=2 13 B9R1.8 CCOC1=CC=CC=C1 HY-Y1207 [1,0,0,0,0,0|1,0,0]=2 14 B9R1.8 CNCC1=CC=CC=C1 HY-W007426 [1,0,0,0,0,0|1,0,0]=2 15 B9R1.8 NOCC1=CC=CC=C1 HY-41915 [1,0,0,0,0,0|2,0,0]=3 16 B9R1.8 OCCC1=CC=CC=C1 HY-B1290 [1,0,0,0,0,0|0,0,0]=1 17 B9R1.8 ONCC1=CC=CC=C1 HY-W002216 [1,0,0,0,0,0|1,0,0]=2 18 B9R1.8 [2H]OCC1=CC=CC=C1 HY-B0892S4 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.1 CNCCC1=CC=C(O)C=C1 HY-W153897 [0,1,0,0,0,0|2,0,0]=3 20 B11R1.1 COCCC1=CC=C(O)C=C1 HY-42084 [0,1,0,0,0,0|2,0,0]=3 21 B11R1.1 OCCCC1=CC=C(O)C=C1 HY-N1753 [0,1,0,0,0,0|0,0,0]=1 22 B11R1.1 OCCOC1=CC=C(Cl)C=C1 HY-W016857 [0,1,0,0,0,0|1,0,0]=2 23 B11R1.16 CCCC(=O)C1=CC=CC=C1 HY-W010265 [0,1,0,0,0,0|1,0,1]=3 24 B11R1.16 CCOC(=O)C1=CC=CC=C1 HY-W017439 [0,1,0,0,0,0|2,0,1]=4 25 B11R1.16 O=C(CCCl)C1=CC=CC=C1 HY-107857 [0,1,0,0,0,0|1,0,1]=3 26 B11R1.16 O=C(NCO)C1=CC=CN=C1 HY-116993 [0,1,0,0,0,0|2,0,1]=4 27 B11R1.28 BrCCCOC1=CC=CC=C1 HY-W019627 [0,1,0,0,0,0|1,0,0]=2 28 B11R1.28 C#CCCCC1=CC=CC=C1 HY-W130901 [0,1,0,0,0,0|1,0,0]=2 29 B11R1.28 NCCOCC1=CC=CC=C1 HY-W017834 [0,1,0,0,0,0|1,0,0]=2 30 B11R1.28 NCCSSC1=NC=CC=C1 HY-101794 [0,1,0,0,0,0|3,0,0]=4 31 B11R1.28 OCCNCC1=CC=CC=C1 HY-W017395 [0,1,0,0,0,0|0,0,0]=1 32 B11R1.28 OCCOCC1=CC=CC=C1 HY-W007853 [0,1,0,0,0,0|0,0,0]=1 33 B11R1.28 OCCSSC1=NC=CC=C1 HY-136135 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.28 S=C=NCCC1=CC=CC=C1 HY-23155 [0,1,0,0,0,0|0,1,1]=3 35 B11R1.40 N[C@H](CO)CC1=CC=CC=C1 HY-Y0168 [0,1,0,0,0,0|0,0,0]=1 36 B11R1.40 O=C(CBr)OC1=CC=CC=C1 HY-41413 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.40 [C@H](N)(CO)CC1=CC=CC=C1 HY-W017398 [0,1,0,0,0,0|0,0,0]=1 38 B11R1.91 CC(=O)CCC1=CC=CC=C1 HY-W015616 [0,1,0,0,0,0|0,0,2]=3 39 B11R1.91 CC(=O)COC1=CC=CC=C1 HY-116792 [0,1,0,0,0,0|1,0,2]=4 40 B11R1.91 CC(=O)NCC1=CC=CC=C1 HY-W052051 [0,1,0,0,0,0|1,0,2]=4 41 B11R1.91 CC(N)CCC1=CC=CC=C1 HY-21796 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.91 CN(C)CCC1=CC=CC=N1 HY-W013654 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.91 N=C(O)NCC1=CC=CC=C1 HY-W010253 [0,1,0,0,0,0|1,0,1]=3 44 B11R1.91 O=C(O)C#CC1=CC=CC=C1 HY-W007319 [0,1,0,0,0,0|0,0,3]=4 45 B11R1.91 O=C(O)CCC1=CC=CC=C1 HY-Y1088 [0,1,0,0,0,0|0,0,1]=2 46 B11R1.91 O=C(O)CCC1=NC=CC=N1 HY-W128579 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.91 O=C(O)COC1=CC=CC=C1 HY-Y0267 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610 [0,1,0,0,0,0|0,0,3]=4 49 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610A [0,1,0,0,0,0|0,0,3]=4 50 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610R [0,1,0,0,0,0|0,0,3]=4 51 B9R0.45 CCCC\C=C\C=C\C=O HY-W127521 [0,0,1,0,0,0|2,0,0]=3 52 B11R2.1 O=C1CCC2=C1C=CC=C2 HY-W004333 [0,0,0,1,0,0|0,0,2]=3 53 B11R2.1 O=C1NCC2=C1C=CC=C2 HY-W004767 [0,0,0,1,0,0|1,0,2]=4 54 B11R2.1 O=C1OCC2=CC=CC=C12 HY-W015820 [0,0,0,1,0,0|1,0,2]=4 55 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-17447A [0,0,0,1,0,0|1,0,0]=2 56 B11R2.4 N[C@@H]1C[C@H]1C2=CC=CC=C2 HY-B1496 [0,0,0,1,0,0|1,0,0]=2 57 B8R1.2 BrCC1=CC=CN=C1 HY-W004131 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.2 CCC1=NC=CN=C1 HY-W040948 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.2 COC1=CC=NC=C1 HY-W007634 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.2 COC1=CN=CC=C1 HY-W008119 [2,0,0,0,0,0|2,0,0]=4 61 B8R1.2 NCC1=CC=CC=C1 HY-76253 [2,0,0,0,0,0|1,0,0]=3 62 B8R1.2 NCC1=CC=CN=C1 HY-Y0047 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.2 NCC1=CC=NC=C1 HY-W007632 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.2 O=NC1=CC=CC=C1 HY-121641 [2,0,0,0,0,0|1,0,1]=4 65 B8R1.2 O=[As]C1=CC=CC=C1 HY-131901 [2,0,0,0,0,0|1,0,1]=4 66 B8R1.2 OCC1=CC=CC=C1 HY-B0892 [2,0,0,0,0,0|0,0,0]=2 67 B8R1.2 OCC1=CC=CC=C1 HY-B0892R [2,0,0,0,0,0|0,0,0]=2 68 B8R1.2 OCC1=CC=CN=C1 HY-B0893 [2,0,0,0,0,0|1,0,0]=3 69 B8R1.2 OCC1=NC=CC=C1 HY-Y0004 [2,0,0,0,0,0|1,0,0]=3 70 B10R0.71 CCCCC\C=C\C=C\C=O HY-W013627 [0,1,1,0,0,0|1,0,1]=4 71 B10R0.71 CCCCC\C=C\C=C\C=O HY-W760733 [0,1,1,0,0,0|1,0,1]=4 72 B10R1.1 C=CCC1=CC=C(C)C=C1 HY-W074514 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.1 C=CCC1=CC=C(O)C=C1 HY-W159754 [1,1,0,0,0,0|0,0,2]=4 74 B10R1.1 CCOC1=CC=C(O)C=C1 HY-W015786 [1,1,0,0,0,0|1,0,0]=3 75 B10R1.1 CNCC1=CC=C(F)C=C1 HY-W114781 [1,1,0,0,0,0|1,0,0]=3 76 B10R1.1 N#CCC1=CC=C(Cl)C=C1 HY-W017390 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.1 N#CCC1=CC=C(O)C=C1 HY-W015823 [1,1,0,0,0,0|1,0,1]=4 78 B10R1.1 NCCC1=CC=C(Br)C=C1 HY-42346 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W007606 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W007606R [1,1,0,0,0,0|1,0,0]=3 81 B10R1.1 NCCC1=CC=C(O)C=C1 HY-W016823 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.1 OCCC1=CC=C(O)C=C1 HY-N0474 [1,1,0,0,0,0|0,0,0]=2 83 B10R1.1 OCCC1=CC=C(O)C=C1 HY-N0474R [1,1,0,0,0,0|0,0,0]=2 84 B10R1.4 CCOC1=CC=CC=C1O HY-W022036 [1,1,0,0,0,0|1,0,0]=3 85 B10R1.4 O\N=C\C1=CC=CC=C1O HY-D0216 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.10 NCCC1=CC(O)=CC=C1 HY-128975 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.15 CC(CN)C1=CC=CC=C1 HY-W005394 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.15 CCC(O)C1=CC=CC=C1 HY-W012618 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-135848 [1,1,0,0,0,0|1,0,1]=4 90 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-KE7004 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.15 NCC(O)C1=CC=CC=C1 HY-59132 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.15 N[C@@H](CO)C1=CC=CC=C1 HY-W002038 [1,1,0,0,0,0|0,0,0]=2 93 B10R1.15 O=C(NO)C1=CC=CC=C1 HY-Y1058 [1,1,0,0,0,0|1,0,1]=4 94 B10R1.15 OCC(O)C1=CC=CC=C1 HY-W015788 [1,1,0,0,0,0|0,0,0]=2 95 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733 [1,1,0,0,0,0|1,0,1]=4 96 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733R [1,1,0,0,0,0|1,0,1]=4 97 B10R1.18 CC(=S)NC1=CC=CC=C1 HY-129756 [1,1,0,0,0,0|1,0,1]=4 98 B10R1.18 CC(O)CC1=CC=CC=C1 HY-W101415 [1,1,0,0,0,0|0,0,0]=2 99 B10R1.18 NC(=O)CC1=CC=CC=C1 HY-W018197 [1,1,0,0,0,0|0,0,2]=4 100 B10R1.18 O=C(O)CC1=CC=CC=N1 HY-W016825 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.18 O=C(O)CC1=CC=CN=C1 HY-W004515 [1,1,0,0,0,0|1,0,1]=4 102 B10R1.18 O=C(O)CC1=CN=CC=C1 HY-W015806 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.21 CCCCCC1=CC=CO1 HY-N7398 [0,1,0,0,1,0|2,0,0]=4 104 B10R1.27 N[C@H](CO)CC1=CNC=N1 HY-W014233 [0,1,0,0,1,0|2,0,0]=4 105 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HY-N0132 [0,2,0,0,0,0|2,0,0]=4 106 B12R1.16 CNCC(O)C1=CC=C(O)C=C1 HY-N0132A [0,2,0,0,0,0|2,0,0]=4 107 B12R1.16 CNC[C@H](O)C1=CC=C(O)C=C1 HY-113236 [0,2,0,0,0,0|2,0,0]=4 108 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HY-N1426R [0,2,0,0,0,0|0,0,2]=4 109 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 HY-136913 [0,2,0,0,0,0|0,0,0]=2 110 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HY-N0113 [0,2,0,0,0,0|2,0,0]=4 111 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HY-N0113B [0,2,0,0,0,0|2,0,0]=4 112 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 HY-W028185 [0,2,0,0,0,0|0,0,1]=3 113 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HY-W015346 [0,2,0,0,0,0|0,0,1]=3 114 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 HY-W141885 [0,2,0,0,0,0|1,0,1]=4 115 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 HY-19698 [0,2,0,0,0,0|1,0,1]=4 116 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 HY-W052234 [0,2,0,0,0,0|1,0,1]=4 117 B12R1.69 CCCCC1=C(O)C=C(O)C=C1 HY-107369 [0,2,0,0,0,0|1,0,0]=3 118 B12R1.69 NC1=CC(N)=C(OCCO)C=C1 HY-W012081 [0,2,0,0,0,0|1,0,0]=3 119 B12R1.385 CNCCC1=CC(O)=C(O)C=C1 HY-W014728 [0,2,0,0,0,0|2,0,0]=4 120 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 HY-B0769 [0,2,0,0,0,0|2,0,0]=4 121 B12R1.17 CNC[C@H](O)C1=CC(O)=CC=C1 HY-B0769R [0,2,0,0,0,0|2,0,0]=4 122 B12R1.17 CNC[C@H](O)C1=CC=CC(O)=C1 HY-B0471 [0,2,0,0,0,0|2,0,0]=4 123 B12R1.30 CCCCC(O)C1=CC=CC=C1 HY-B1273 [0,2,0,0,0,0|1,0,0]=3 124 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 HY-W017189 [0,2,0,0,0,0|0,0,1]=3 125 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HY-W002039 [0,2,0,0,0,0|0,0,1]=3 126 B12R1.121 COC1=C(OCCN)C=CC=C1 HY-107847 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.125 O=C(O)CCC1=CC=CC=C1O HY-W017158 [0,2,0,0,0,0|0,0,1]=3 128 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 HY-W005255 [0,2,0,0,0,0|0,0,1]=3 129 B12R1.27 COC(=O)CCC1=CC=CC=C1 HY-W007828 [0,2,0,0,0,0|0,0,1]=3 130 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HY-W005117 [0,2,0,0,0,0|1,0,1]=4 131 B12R1.32 C#CCN(C)CC1=CC=CC=C1 HY-A0091 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.32 C#CCN(C)CC1=CC=CC=C1 HY-A0091A [0,2,0,0,0,0|1,0,1]=4 133 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HY-145613 [0,2,0,0,0,0|0,0,1]=3 134 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HY-W102356 [0,2,0,0,0,0|0,0,2]=4 135 B12R1.252 O=C(O)CCCC1=CC=CC=C1 HY-A0281 [0,2,0,0,0,0|0,0,0]=2 136 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-W015359 [0,2,0,0,0,0|0,0,1]=3 137 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-Y0735 [0,2,0,0,0,0|0,0,1]=3 138 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732 [0,2,0,0,0,0|0,0,1]=3 139 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732R [0,2,0,0,0,0|0,0,1]=3 140 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215 [0,2,0,0,0,0|0,0,1]=3 141 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215R [0,2,0,0,0,0|0,0,1]=3 142 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O HY-W022405 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O HY-Y0079 [0,2,0,0,0,0|0,0,1]=3 144 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O HY-W022404 [0,2,0,0,0,0|1,0,1]=4 145 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530 [0,2,0,0,0,0|0,0,2]=4 146 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530R [0,2,0,0,0,0|0,0,2]=4 147 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162 [0,2,0,0,0,0|0,0,1]=3 148 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162R [0,2,0,0,0,0|0,0,1]=3 149 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 HY-30219 [0,2,0,0,0,0|0,0,1]=3 150 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215S5 [0,2,0,0,0,0|0,0,1]=3 151 B12R1.194 CC[N+](C)(C)CC1=CC=CC=C1 HY-B2232 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.891 [2H]C([2H])([2H])NCC1=CC=CC=C1 HY-151869S [0,2,0,0,0,0|2,0,0]=4 153 B10R2.7 C1=CC=C2OCCC2=C1 HY-75247 [1,0,0,1,0,0|0,0,0]=2 154 B10R2.7 C1=CC=C2ON=CC2=C1 HY-W103317 [1,0,0,1,0,0|1,0,1]=4 155 B10R2.7 C1=CN=C2NCCC2=C1 HY-30156 [1,0,0,1,0,0|2,0,0]=4 156 B12R2.24 BrC1=CC=C2OCCOC2=C1 HY-W002191 [0,1,0,1,0,0|1,0,0]=3 157 B12R2.24 O=C1CCC2=CC=CC=C2N1 HY-W002108 [0,1,0,1,0,0|0,0,2]=4 158 B12R2.24 O=C1CCC2=CC=CC=C2O1 HY-N1926 [0,1,0,1,0,0|0,0,1]=3 159 B12R2.79 N[C@@H]1C[C@H]1C2=CC=C(F)C=C2 HY-I0348 [0,1,0,1,0,0|1,0,0]=3 160 B12R2.2 C1=CN=CC(C2=NCCC2)=C1 HY-W001909 [0,1,0,1,0,0|2,0,0]=4 161 B12R2.2 C1=CN=CC(C2CCCN2)=C1 HY-W002112 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.1081 CC1=CC=NC2=C1CCCC2 HY-W049311 [0,1,0,1,0,0|2,0,0]=4 163 B12R2.1081 O=C1CCCC2=C1C=CC=C2 HY-76194A [0,1,0,1,0,0|0,0,1]=3 164 B12R2.1081 OC1=CC=CC2=C1NCCC2 HY-W002942 [0,1,0,1,0,0|1,0,0]=3 165 B12R2.32 CNC1CC2=C(C=CC=C2)C1 HY-113833 [0,1,0,1,0,0|2,0,0]=4 166 B12R2.196 O=C1CCC2=C1C=CC=C2O HY-W001217 [0,1,0,1,0,0|0,0,2]=4 167 B12R2.612 O=C1CCC2=C1C=CC(Br)=C2 HY-40190 [0,1,0,1,0,0|0,0,2]=4 168 B12R2.612 OB1OCC2=CC(Cl)=CC=C12 HY-100527 [0,1,0,1,0,0|2,0,0]=4 169 B12R2.612 OB1OCC2=CC(F)=CC=C12 HY-10980 [0,1,0,1,0,0|2,0,0]=4 170 B12R2.1 OCC1=CNC2=C1C=CC=C2 HY-N0170 [0,1,0,1,0,0|0,0,2]=4 171 B8R1.8 CCCN1C=CC=N1 HY-Z1093 [1,0,0,0,1,0|2,0,0]=4