0 B12R1.27 COC(=O)CCC1=CC=CC=C1 HY-W007828 [0,0,0,0,0,0|0,0,0]=0 1 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 HY-W017212 [0,0,0,0,0,0|0,0,2]=2 2 B12R1.27 COC(=O)\C=C\C1=CC=CC=C1 HY-W067056 [0,0,0,0,0,0|0,0,2]=2 3 B12R1.27 NCC(=O)OCC1=CC=CC=C1 HY-W005117 [0,0,0,0,0,0|3,0,0]=3 4 B11R1.28 C#CCCCC1=CC=CC=C1 HY-W130901 [1,0,0,0,0,0|1,0,2]=4 5 B11R1.28 S=C=NCCC1=CC=CC=C1 HY-23155 [1,0,0,0,0,0|3,0,0]=4 6 B11R1.91 CC(=O)CCC1=CC=CC=C1 HY-W015616 [1,0,0,0,0,0|0,0,0]=1 7 B11R1.91 CC(=O)COC1=CC=CC=C1 HY-116792 [1,0,0,0,0,0|1,0,0]=2 8 B11R1.91 CC(=O)NCC1=CC=CC=C1 HY-W052051 [1,0,0,0,0,0|1,0,0]=2 9 B11R1.91 CC(=O)NNC1=CC=CC=C1 HY-W017425 [1,0,0,0,0,0|2,0,0]=3 10 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HY-W012595A [1,0,0,0,0,0|0,0,2]=3 11 B11R1.91 CC(N)CCC1=CC=CC=C1 HY-21796 [1,0,0,0,0,0|1,0,1]=3 12 B11R1.91 CN(C)CCC1=CC=CC=N1 HY-W013654 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.91 N=C(O)NCC1=CC=CC=C1 HY-W010253 [1,0,0,0,0,0|2,0,0]=3 14 B11R1.91 NC(=O)NNC1=CC=CC=C1 HY-W280349 [1,0,0,0,0,0|3,0,0]=4 15 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HY-W017495 [1,0,0,0,0,0|1,0,2]=4 16 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HY-W067479 [1,0,0,0,0,0|1,0,2]=4 17 B11R1.91 O=C(O)C#CC1=CC=CC=C1 HY-W007319 [1,0,0,0,0,0|0,0,2]=3 18 B11R1.91 O=C(O)CCC1=CC=CC=C1 HY-Y1088 [1,0,0,0,0,0|0,0,0]=1 19 B11R1.91 O=C(O)CCC1=NC=CC=N1 HY-W128579 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.91 O=C(O)COC1=CC=CC=C1 HY-Y0267 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610 [1,0,0,0,0,0|0,0,2]=3 22 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610A [1,0,0,0,0,0|0,0,2]=3 23 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610R [1,0,0,0,0,0|0,0,2]=3 24 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HY-W017463 [1,0,0,0,0,0|1,0,2]=4 25 B13R1.11 CCC(=O)OC(C)C1=CC=CC=C1 HY-W016598 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 HY-N1434 [0,1,0,0,0,0|0,0,2]=3 27 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 HY-N2492 [0,1,0,0,0,0|0,0,2]=3 28 B13R1.14 COC(=O)\C=C\C1=CC=C(O)C=C1 HY-N2492R [0,1,0,0,0,0|0,0,2]=3 29 B13R1.14 O=C(COC1=CC=C(Cl)C=C1)O[Na] HY-19698A [0,1,0,0,0,0|2,0,0]=3 30 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 HY-W236273 [0,1,0,0,0,0|0,0,2]=3 31 B13R1.42 CCOC(=O)\C=C\C1=CC=CC=C1 HY-Y0121 [0,1,0,0,0,0|0,0,2]=3 32 B13R1.42 O=C(CCCl)NCC1=CC=CC=C1 HY-B1185 [0,1,0,0,0,0|2,0,0]=3 33 B13R1.135 COC(=O)C(N)CC1=CC=CC=C1 HY-W042002 [0,1,0,0,0,0|0,0,0]=1 34 B13R1.135 COC(=O)[C@@H](N)CC1=CC=CC=C1 HY-Y1394 [0,1,0,0,0,0|0,0,0]=1 35 B13R1.135 COC(=O)[C@H](N)CC1=CC=CC=C1 HY-I0924A [0,1,0,0,0,0|0,0,0]=1 36 B13R1.351 CC(O)C(=O)OCC1=CC=CC=C1 HY-W016484 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 HY-W010144 [0,0,0,1,0,0|3,0,0]=4 38 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 HY-W019727 [0,0,0,1,0,0|1,0,0]=2 39 B13R2.57 COC1=CC2=C(C=CC=C2)C=C1 HY-W010179 [0,0,0,1,0,0|1,0,2]=4 40 B11R1.40 C=CC(=O)NC1=CC=CC=C1 HY-W018582 [0,0,0,0,1,0|2,0,1]=4 41 B11R1.40 NNC(=O)C[N+]1=CC=CC=C1 HY-W077680 [0,0,0,0,1,0|3,0,0]=4 42 B11R1.40 O=C(CBr)OC1=CC=CC=C1 HY-41413 [0,0,0,0,1,0|3,0,0]=4 43 B13R1.718 O=C(CCCC1=CC=CC=C1)O[Na] HY-15654 [0,0,0,0,0,1|1,0,0]=2 44 B10R1.17 C=CCNC1=CC=CC=C1 HY-W087043 [2,0,0,0,0,0|1,0,1]=4 45 B10R1.17 CNCCC1=CC=CC=C1 HY-30170 [2,0,0,0,0,0|1,0,0]=3 46 B10R1.17 CNCCC1=CC=CC=N1 HY-B0524A [2,0,0,0,0,0|2,0,0]=4 47 B10R1.17 CNCCC1=NC=CC=C1 HY-B0524 [2,0,0,0,0,0|2,0,0]=4 48 B10R1.17 CNCCC1=NC=CC=C1 HY-D0237 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.17 O=C\C=C\C1=CC=CC=C1 HY-W019711 [2,0,0,0,0,0|0,0,2]=4 50 B10R1.17 OCCCC1=CC=CC=C1 HY-41304 [2,0,0,0,0,0|0,0,1]=3 51 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729R [2,0,0,0,0,0|1,0,1]=4 53 B12R1.30 CCCCC(O)C1=CC=CC=C1 HY-B1273 [1,1,0,0,0,0|1,0,1]=4 54 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HY-145613 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HY-W102356 [1,1,0,0,0,0|2,0,0]=4 56 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 HY-W015399 [1,1,0,0,0,0|0,0,2]=4 57 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HY-N1426R [1,1,0,0,0,0|0,0,0]=2 58 B12R1.21 CC(=O)O[Hg]C1=CC=C(N)C=C1 HY-148905 [1,1,0,0,0,0|2,0,0]=4 59 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 HY-136913 [1,1,0,0,0,0|0,0,2]=4 60 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HY-N0113 [1,1,0,0,0,0|2,0,0]=4 61 B12R1.21 CN(C)CCC1=CC=C(O)C=C1 HY-N0113B [1,1,0,0,0,0|2,0,0]=4 62 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 HY-W028185 [1,1,0,0,0,0|0,0,0]=2 63 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HY-W015346 [1,1,0,0,0,0|0,0,0]=2 64 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 HY-W141885 [1,1,0,0,0,0|1,0,0]=3 65 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 HY-19698 [1,1,0,0,0,0|1,0,0]=3 66 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 HY-W052234 [1,1,0,0,0,0|1,0,0]=3 67 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 HY-Y0729 [1,1,0,0,0,0|0,0,2]=4 68 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HY-N0351 [1,1,0,0,0,0|0,0,2]=4 69 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HY-N0351R [1,1,0,0,0,0|0,0,2]=4 70 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HY-N2391 [1,1,0,0,0,0|0,0,2]=4 71 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732 [1,1,0,0,0,0|0,0,0]=2 72 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732R [1,1,0,0,0,0|0,0,0]=2 73 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215 [1,1,0,0,0,0|0,0,0]=2 74 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215R [1,1,0,0,0,0|0,0,0]=2 75 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O HY-W022405 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O HY-Y0079 [1,1,0,0,0,0|0,0,0]=2 77 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O HY-W022404 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530 [1,1,0,0,0,0|0,0,1]=3 79 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530R [1,1,0,0,0,0|0,0,1]=3 80 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162 [1,1,0,0,0,0|0,0,0]=2 81 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162R [1,1,0,0,0,0|0,0,0]=2 82 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 HY-30219 [1,1,0,0,0,0|0,0,0]=2 83 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215S5 [1,1,0,0,0,0|0,0,0]=2 84 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HY-W013607 [1,1,0,0,0,0|0,0,1]=3 85 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 HY-W017189 [1,1,0,0,0,0|0,0,0]=2 86 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HY-W002039 [1,1,0,0,0,0|0,0,0]=2 87 B12R1.125 O=C(O)CCC1=CC=CC=C1O HY-W017158 [1,1,0,0,0,0|0,0,0]=2 88 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl HY-W016366 [1,1,0,0,0,0|0,0,2]=4 89 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HY-W012531 [1,1,0,0,0,0|0,0,2]=4 90 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HY-W012531R [1,1,0,0,0,0|0,0,2]=4 91 B12R1.226 C(C(=O)O)=CC1=CC(O)=CC=C1 HY-N7127 [1,1,0,0,0,0|0,0,2]=4 92 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 HY-W005255 [1,1,0,0,0,0|0,0,0]=2 93 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 HY-113357 [1,1,0,0,0,0|0,0,2]=4 94 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 HY-113357R [1,1,0,0,0,0|0,0,2]=4 95 B12R1.108 COC(=O)[C@@H](N)CC1=CN=CN1 HY-Y0754 [0,1,0,0,1,0|2,0,0]=4 96 B12R1.34 COC(=O)[C@@H](N)C1=CC=CC=C1 HY-W019714 [0,1,0,0,1,0|0,0,0]=2 97 B12R1.34 COC(=O)[C@H](N)C1=CC=CC=C1 HY-W014824 [0,1,0,0,1,0|0,0,0]=2 98 B12R1.34 O=C(O[Na])C(=O)C1=CC=CC=C1 HY-W010255A [0,1,0,0,1,0|1,0,1]=4 99 B12R1.49 CCC(=O)NC1=CC=C(O)C=C1 HY-135326 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 HY-W001084 [0,1,0,0,1,0|0,0,0]=2 101 B12R1.49 COC(=O)CC1=CC=C(O)C=C1 HY-W001084R [0,1,0,0,1,0|0,0,0]=2 102 B14R1.163 O=C(CNC(=O)C1=CC=CC=C1)O[Na] HY-W014841 [0,1,0,0,0,1|1,0,1]=4 103 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 HY-76448 [0,1,0,0,0,1|0,0,0]=2 104 B14R1.134 COC(=O)C(N)CC1=CC=C(Cl)C=C1 HY-101456 [0,2,0,0,0,0|0,0,0]=2 105 B14R1.134 COC(=O)[C@@H](N)CC1=CC=C(O)C=C1 HY-W007671 [0,2,0,0,0,0|0,0,0]=2 106 B14R1.134 NNC(=O)[C@@H](N)CC1=CC=C(O)C=C1 HY-W142000 [0,2,0,0,0,0|2,0,0]=4 107 B14R1.134 [C@@H](N)(CC1=CC=C(Cl)C=C1)C(=O)OC HY-W011931 [0,2,0,0,0,0|0,0,0]=2 108 B14R1.134 [C@H](N)(CC1=CC=C(O)C=C1)C(=O)OC HY-W012228 [0,2,0,0,0,0|0,0,0]=2 109 B14R1.727 COC(=O)COC1=CC=C(Cl)C=C1Cl HY-B0868 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.727 O=C(COC1=CC=C(Cl)C=C1Cl)O[Na] HY-18572A [0,2,0,0,0,0|2,0,0]=4 111 B14R1.727 O=C(COC1=CC=C(Cl)C=C1Cl)O[Na] HY-18572AR [0,2,0,0,0,0|2,0,0]=4 112 B14R1.833 COC(=O)\C=C\C1=CC=C(O)C(O)=C1 HY-N6005 [0,2,0,0,0,0|0,0,2]=4 113 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(O)=C1 HY-W040441 [0,2,0,0,0,0|0,0,0]=2 114 B14R1.820 COC(=O)\C=C\C1=CC(O)=CC=C1O HY-101006 [0,2,0,0,0,0|0,0,2]=4 115 B14R1.60 CCOC(=O)[C@@H](N)CC1=CC=CC=C1 HY-W012255 [0,2,0,0,0,0|0,0,0]=2 116 B12R2.24 O=C1C=CC2=CC=CC=C2O1 HY-N0709 [1,0,0,1,0,0|0,0,2]=4 117 B12R2.24 O=C1CCC2=CC=CC=C2N1 HY-W002108 [1,0,0,1,0,0|1,0,0]=3 118 B12R2.24 O=C1CCC2=CC=CC=C2O1 HY-N1926 [1,0,0,1,0,0|0,0,0]=2 119 B12R2.18 O=C1CC2=CC=CC=C2C1=O HY-W013580 [0,0,0,1,1,0|2,0,0]=4 120 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 HY-41882 [0,0,0,1,0,1|0,0,0]=2 121 B14R2.95 COC(=O)C1=CNC2=CC=CC=C21 HY-79635 [0,0,0,1,0,1|0,0,2]=4 122 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 HY-B1178 [0,0,0,1,0,1|2,0,0]=4 123 B14R2.8188 N[C@H]1CC2=C(C=CC=C2)N(O)C1=O HY-116451 [0,1,0,1,0,0|2,0,0]=4 124 B10R1.18 CC(=O)NC1=CC=CC=N1 HY-W101320 [1,0,0,0,1,0|2,0,0]=4 125 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733 [1,0,0,0,1,0|1,0,0]=3 126 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733R [1,0,0,0,1,0|1,0,0]=3 127 B10R1.18 CC(=S)NC1=CC=CC=C1 HY-129756 [1,0,0,0,1,0|1,1,0]=4 128 B10R1.18 CC(O)CC1=CC=CC=C1 HY-W101415 [1,0,0,0,1,0|0,0,2]=4 129 B10R1.18 NC(=O)CC1=CC=CC=C1 HY-W018197 [1,0,0,0,1,0|1,0,0]=3 130 B10R1.18 NC(=O)NC1=CC=CC=C1 HY-W017044 [1,0,0,0,1,0|2,0,0]=4 131 B10R1.18 O=C(O)CC1=CC=CC=N1 HY-W016825 [1,0,0,0,1,0|1,0,0]=3 132 B10R1.18 O=C(O)CC1=CC=CN=C1 HY-W004515 [1,0,0,0,1,0|1,0,0]=3 133 B10R1.18 O=C(O)CC1=CN=CC=C1 HY-W015806 [1,0,0,0,1,0|1,0,0]=3 134 B10R1.18 O=C(O)CC1=NC=CC=N1 HY-34190 [1,0,0,0,1,0|2,0,0]=4 135 B10R1.66 CC(=O)OCC1=CC=CO1 HY-W010321 [1,0,0,0,1,0|2,0,0]=4 136 B10R1.66 O=C(O)CCC1=CN=CN1 HY-W045271 [1,0,0,0,1,0|2,0,0]=4 137 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-135848 [0,0,0,0,2,0|1,0,0]=3 138 B10R1.15 CNC(=O)C1=CC=CC=C1 HY-KE7004 [0,0,0,0,2,0|1,0,0]=3 139 B10R1.15 CNC(=O)C1=CC=CN=C1 HY-124124 [0,0,0,0,2,0|2,0,0]=4 140 B10R1.15 COC(=O)C1=CC=CC=N1 HY-W005458 [0,0,0,0,2,0|1,0,0]=3 141 B10R1.15 COC(=O)C1=NC=CC=N1 HY-78337 [0,0,0,0,2,0|2,0,0]=4 142 B10R1.15 O=C(NO)C1=CC=CC=C1 HY-Y1058 [0,0,0,0,2,0|2,0,0]=4 143 B10R1.15 O=C(O[K])C1=CC=CC=C1 HY-W103932 [0,0,0,0,2,0|1,0,0]=3 144 B10R1.15 O=C(O[Na])C1=CC=CC=C1 HY-Y1316 [0,0,0,0,2,0|1,0,0]=3 145 B10R1.15 O=S(O[Na])C1=CC=CC=C1 HY-W013598 [0,0,0,0,2,0|2,0,0]=4 146 B10R1.15 [Li]OC(=O)C1=CC=CC=C1 HY-N0216A [0,0,0,0,2,0|1,0,0]=3 147 B14R1.716 C=CC(=O)OCCOC1=CC=CC=C1 HY-W763597 [0,0,0,0,0,2|1,0,1]=4