0 B12R1.252 CC(=O)CCCC1=CC=CC=C1 HY-145613 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.252 CC(=O)OCCC1=CC=CC=C1 HY-W102356 [0,0,0,0,0,0|2,0,0]=2 2 B12R1.252 O=C(O)CCCC1=CC=CC=C1 HY-A0281 [0,0,0,0,0,0|0,0,0]=0 3 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-W015359 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.252 O=C(O)CNCC1=CC=CC=C1 HY-Y0735 [0,0,0,0,0,0|1,0,0]=1 5 B11R1.28 BrCCCOC1=CC=CC=C1 HY-W019627 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.28 C#CCCCC1=CC=CC=C1 HY-W130901 [1,0,0,0,0,0|1,0,1]=3 7 B11R1.28 NCCOCC1=CC=CC=C1 HY-W017834 [1,0,0,0,0,0|2,0,1]=4 8 B11R1.28 OCCNCC1=CC=CC=C1 HY-W017395 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.28 OCCOCC1=CC=CC=C1 HY-W007853 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.28 S=C=NCCC1=CC=CC=C1 HY-23155 [1,0,0,0,0,0|1,1,1]=4 11 B13R1.45 O=C(O)CCC(=O)C1=CC=CC=C1 HY-W001943 [0,1,0,0,0,0|0,0,1]=2 12 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 HY-B1691 [0,1,0,0,0,0|1,0,1]=3 13 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 HY-B1691R [0,1,0,0,0,0|1,0,1]=3 14 B13R1.45 O=C(O)CNC(=O)C1=CC=CC=C1 HY-W016562 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.45 O=C(O)CNC(=O)C1=CC=CN=C1 HY-113353 [0,1,0,0,0,0|2,0,1]=4 16 B13R1.351 N[C@@H](CCC1=CC=CC=C1)C(=O)O HY-I1029 [0,1,0,0,0,0|0,0,0]=1 17 B13R1.513 CC(=O)NCCC1=CC=C(O)C=C1 HY-120504 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.718 O=C(CCCC1=CC=CC=C1)O[Na] HY-15654 [0,1,0,0,0,0|0,0,0]=1 19 B13R1.3523 O=S(=O)([O-])CCC[N+]1=CC=CC=C1 HY-W014837 [0,1,0,0,0,0|2,0,1]=4 20 B13R2.10 CC1COC(C2=CC=CC=C2)O1 HY-W010119 [0,0,0,1,0,0|2,0,1]=4 21 B13R2.10 O=C1CCN(C2=CC=CC=C2)N1 HY-W010144 [0,0,0,1,0,0|2,0,0]=3 22 B13R2.10 O=C1N[C@@H](C2=CC=CC=C2)CO1 HY-W019727 [0,0,0,1,0,0|2,0,0]=3 23 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 HY-40161 [0,0,0,1,0,0|1,0,2]=4 24 B13R2.72 O=C(O)C1=CNC2=CC=CC=C21 HY-40161R [0,0,0,1,0,0|1,0,2]=4 25 B13R2.72 O=C(O)C1=NNC2=C1C=CC=C2 HY-W002518 [0,0,0,1,0,0|2,0,1]=4 26 B11R1.91 CC(=O)CCC1=CC=CC=C1 HY-W015616 [0,0,0,0,1,0|1,0,0]=2 27 B11R1.91 CC(=O)COC1=CC=CC=C1 HY-116792 [0,0,0,0,1,0|2,0,0]=3 28 B11R1.91 CC(=O)NCC1=CC=CC=C1 HY-W052051 [0,0,0,0,1,0|2,0,0]=3 29 B11R1.91 CC(=O)NNC1=CC=CC=C1 HY-W017425 [0,0,0,0,1,0|3,0,0]=4 30 B11R1.91 CC(=O)\C=C\C1=CC=CC=C1 HY-W012595A [0,0,0,0,1,0|1,0,2]=4 31 B11R1.91 CC(N)CCC1=CC=CC=C1 HY-21796 [0,0,0,0,1,0|2,0,1]=4 32 B11R1.91 N=C(O)NCC1=CC=CC=C1 HY-W010253 [0,0,0,0,1,0|2,0,0]=3 33 B11R1.91 NC(=O)NNC1=CC=CC=C1 HY-W280349 [0,0,0,0,1,0|3,0,0]=4 34 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HY-W017495 [0,0,0,0,1,0|1,0,2]=4 35 B11R1.91 NC(=O)\C=C\C1=CC=CC=C1 HY-W067479 [0,0,0,0,1,0|1,0,2]=4 36 B11R1.91 O=C(O)C#CC1=CC=CC=C1 HY-W007319 [0,0,0,0,1,0|0,0,2]=3 37 B11R1.91 O=C(O)CCC1=CC=CC=C1 HY-Y1088 [0,0,0,0,1,0|0,0,0]=1 38 B11R1.91 O=C(O)CCC1=NC=CC=N1 HY-W128579 [0,0,0,0,1,0|2,0,0]=3 39 B11R1.91 O=C(O)COC1=CC=CC=C1 HY-Y0267 [0,0,0,0,1,0|1,0,0]=2 40 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610 [0,0,0,0,1,0|0,0,2]=3 41 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610A [0,0,0,0,1,0|0,0,2]=3 42 B11R1.91 O=C(O)\C=C\C1=CC=CC=C1 HY-N0610R [0,0,0,0,1,0|0,0,2]=3 43 B11R1.91 O=C(O)\C=C\C1=CC=CN=C1 HY-W017463 [0,0,0,0,1,0|1,0,2]=4 44 B13R1.337 CC(=O)OC\C=C\C1=CC=CC=C1 HY-N7125 [0,0,0,0,0,1|1,0,2]=4 45 B13R1.337 O=C(O)CCCCC1=CC=CC=C1 HY-W032915 [0,0,0,0,0,1|0,0,0]=1 46 B13R1.337 O=C(O)CCSSC1=NC=CC=C1 HY-130157 [0,0,0,0,0,1|2,0,0]=3 47 B13R1.337 O=C(O)\C=C\C=C\C1=CC=CC=C1 HY-N7129 [0,0,0,0,0,1|0,0,3]=4 48 B10R1.17 C=CCNC1=CC=CC=C1 HY-W087043 [2,0,0,0,0,0|1,0,1]=4 49 B10R1.17 CNCCC1=CC=CC=C1 HY-30170 [2,0,0,0,0,0|1,0,1]=4 50 B10R1.17 O=C\C=C\C1=CC=CC=C1 HY-W019711 [2,0,0,0,0,0|0,0,2]=4 51 B10R1.17 OCCCC1=CC=CC=C1 HY-41304 [2,0,0,0,0,0|0,0,0]=2 52 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729 [2,0,0,0,0,0|1,0,0]=3 53 B10R1.17 OCCOC1=CC=CC=C1 HY-B1729R [2,0,0,0,0,0|1,0,0]=3 54 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-N1867 [2,0,0,0,0,0|0,0,2]=4 55 B10R1.17 OC\C=C\C1=CC=CC=C1 HY-Y0078 [2,0,0,0,0,0|0,0,2]=4 56 B12R1.30 CCCCC(O)C1=CC=CC=C1 HY-B1273 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.21 C(C(=O)O)=CC1=CC=C(C)C=C1 HY-W015399 [0,1,0,0,1,0|0,0,2]=4 58 B12R1.21 CC(=O)CCC1=CC=C(O)C=C1 HY-N1426R [0,1,0,0,1,0|1,0,0]=3 59 B12R1.21 CC(O)CCC1=CC=C(O)C=C1 HY-136913 [0,1,0,0,1,0|1,0,1]=4 60 B12R1.21 O=C(O)CCC1=CC=C(F)C=C1 HY-W028185 [0,1,0,0,1,0|0,0,0]=2 61 B12R1.21 O=C(O)CCC1=CC=C(O)C=C1 HY-W015346 [0,1,0,0,1,0|0,0,0]=2 62 B12R1.21 O=C(O)CNC1=CC=C(O)C=C1 HY-W141885 [0,1,0,0,1,0|1,0,0]=3 63 B12R1.21 O=C(O)COC1=CC=C(Cl)C=C1 HY-19698 [0,1,0,0,1,0|1,0,0]=3 64 B12R1.21 O=C(O)COC1=CC=C(F)C=C1 HY-W052234 [0,1,0,0,1,0|1,0,0]=3 65 B12R1.21 O=C(O)\C=C\C1=CC=C(Cl)C=C1 HY-Y0729 [0,1,0,0,1,0|0,0,2]=4 66 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HY-N0351 [0,1,0,0,1,0|0,0,2]=4 67 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HY-N0351R [0,1,0,0,1,0|0,0,2]=4 68 B12R1.21 O=C(O)\C=C\C1=CC=C(O)C=C1 HY-N2391 [0,1,0,0,1,0|0,0,2]=4 69 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732 [0,1,0,0,1,0|0,0,0]=2 70 B12R1.43 NC(CC1=CC=CC=C1)C(=O)O HY-B1732R [0,1,0,0,1,0|0,0,0]=2 71 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215 [0,1,0,0,1,0|0,0,0]=2 72 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215R [0,1,0,0,1,0|0,0,0]=2 73 B12R1.43 N[C@@H](CC1=CC=NC=C1)C(=O)O HY-W022405 [0,1,0,0,1,0|1,0,0]=3 74 B12R1.43 N[C@H](CC1=CC=CC=C1)C(=O)O HY-Y0079 [0,1,0,0,1,0|0,0,0]=2 75 B12R1.43 N[C@H](CC1=CC=NC=C1)C(=O)O HY-W022404 [0,1,0,0,1,0|1,0,0]=3 76 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530 [0,1,0,0,1,0|0,0,1]=3 77 B12R1.43 O=C(O)C(=O)CC1=CC=CC=C1 HY-W012530R [0,1,0,0,1,0|0,0,1]=3 78 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162 [0,1,0,0,1,0|0,0,0]=2 79 B12R1.43 O=C(O)C(O)CC1=CC=CC=C1 HY-W017162R [0,1,0,0,1,0|0,0,0]=2 80 B12R1.43 O=C(O)[C@H](O)CC1=CC=CC=C1 HY-30219 [0,1,0,0,1,0|0,0,0]=2 81 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(=O)O HY-N0215S5 [0,1,0,0,1,0|0,0,0]=2 82 B12R1.107 CC(=O)CC(=O)C1=CC=CC=C1 HY-W013607 [0,1,0,0,1,0|1,0,1]=4 83 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 HY-W017189 [0,1,0,0,1,0|0,0,0]=2 84 B12R1.107 NC(CC(=O)O)C1=CC=CC=C1 HY-W002039 [0,1,0,0,1,0|0,0,0]=2 85 B12R1.125 O=C(O)CCC1=CC=CC=C1O HY-W017158 [0,1,0,0,1,0|0,0,0]=2 86 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1Cl HY-W016366 [0,1,0,0,1,0|0,0,2]=4 87 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HY-W012531 [0,1,0,0,1,0|0,0,2]=4 88 B12R1.125 O=C(O)\C=C\C1=CC=CC=C1O HY-W012531R [0,1,0,0,1,0|0,0,2]=4 89 B12R1.226 C(C(=O)O)=CC1=CC(O)=CC=C1 HY-N7127 [0,1,0,0,1,0|0,0,2]=4 90 B12R1.226 O=C(O)CCC1=CC=CC(O)=C1 HY-W005255 [0,1,0,0,1,0|0,0,0]=2 91 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 HY-113357 [0,1,0,0,1,0|0,0,2]=4 92 B12R1.226 O=C(O)\C=C\C1=CC=CC(O)=C1 HY-113357R [0,1,0,0,1,0|0,0,2]=4 93 B14R1.420 O=C(O)CCNC(=O)C1=CC=CC=C1 HY-B1127 [0,1,0,0,0,1|0,0,1]=3 94 B14R1.423 O=C(O)CNC(=O)CC1=CC=CC=C1 HY-W015061 [0,1,0,0,0,1|0,0,1]=3 95 B14R1.677 CC(=O)NCCSC1=CC=C(O)C=C1 HY-W129441 [0,1,0,0,0,1|2,0,0]=4 96 B14R1.716 C=CC(=O)OCCOC1=CC=CC=C1 HY-W763597 [0,1,0,0,0,1|2,0,0]=4 97 B14R1.6449 N[C@H](COCC1=CC=CC=C1)C(=O)O HY-W009908 [0,1,0,0,0,1|0,0,0]=2 98 B14R1.6449 [C@H](N)(COCC1=CC=CC=C1)C(=O)O HY-W008308 [0,1,0,0,0,1|0,0,0]=2 99 B14R1.6449 [C@H](N)(CSCC1=CC=CC=C1)C(=O)O HY-W014329 [0,1,0,0,0,1|0,0,0]=2 100 B14R1.149 O=C(O)CNC(=O)C1=CC=CC(O)=C1 HY-113085 [0,2,0,0,0,0|1,0,1]=4 101 B14R1.149 O=C(O)CNC(=O)C1=CC=CC(O)=C1 HY-113085R [0,2,0,0,0,0|1,0,1]=4 102 B14R1.160 CC1=CC=CC=C1C(=O)NCC(=O)O HY-W015060 [0,2,0,0,0,0|1,0,1]=4 103 B14R1.160 O=C(O)CNC(=O)C1=CC=CC=C1O HY-113295 [0,2,0,0,0,0|1,0,1]=4 104 B14R1.163 O=C(CNC(=O)C1=CC=CC=C1)O[Na] HY-W014841 [0,2,0,0,0,0|1,0,1]=4 105 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 HY-B1306 [0,2,0,0,0,0|1,0,1]=4 106 B14R1.678 NC1=CC=C(C(=O)NCC(=O)O)C=C1 HY-B1306R [0,2,0,0,0,0|1,0,1]=4 107 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 HY-113158 [0,2,0,0,0,0|1,0,1]=4 108 B14R1.678 O=C(O)CNC(=O)C1=CC=C(O)C=C1 HY-113158R [0,2,0,0,0,0|1,0,1]=4 109 B14R1.687 CC(=O)NCCC1=CC=C(O)C(O)=C1 HY-N7493 [0,2,0,0,0,0|2,0,0]=4 110 B14R1.687 CC(=O)OCCC1=CC(O)=C(O)C=C1 HY-N6043 [0,2,0,0,0,0|2,0,0]=4 111 B14R1.4464 O=C(O)CCCC1=C(Cl)C=C(F)C=C1 HY-49707 [0,2,0,0,0,0|0,0,0]=2 112 B14R1.4194 O=C(O)[C@H](CO)NCC1=CC=CC=C1 HY-W053678 [0,2,0,0,0,0|1,0,0]=3 113 B14R1.520 CCOC(=O)CNCC1=CC=CC=C1 HY-76448 [0,2,0,0,0,0|1,0,0]=3 114 B12R2.1081 O=C1CCCC2=C1C=CC=C2 HY-76194A [1,0,0,1,0,0|0,0,0]=2 115 B12R2.24 O=C1C=CC2=CC=CC=C2O1 HY-N0709 [0,0,0,1,1,0|0,0,2]=4 116 B12R2.24 O=C1CCC2=CC=CC=C2N1 HY-W002108 [0,0,0,1,1,0|1,0,0]=3 117 B12R2.24 O=C1CCC2=CC=CC=C2O1 HY-N1926 [0,0,0,1,1,0|0,0,0]=2 118 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 HY-18569 [0,0,0,1,0,1|0,0,2]=4 119 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 HY-18569B [0,0,0,1,0,1|0,0,2]=4 120 B14R2.2 O=C(O)CC1=CNC2=C1C=CC=C2 HY-18569R [0,0,0,1,0,1|0,0,2]=4 121 B14R2.19 O=C1N[C@@H](CC2=CC=CC=C2)CO1 HY-41882 [0,0,0,1,0,1|1,0,0]=3 122 B14R2.19 [C@H]1(O)CCN(CC2=CC=CC=C2)C1 HY-W016644 [0,0,0,1,0,1|1,0,1]=4 123 B14R2.781 O=C(O)[C@@H]1CC2=C(C=CC=C2)CN1 HY-I0422 [0,1,0,1,0,0|1,0,0]=3 124 B14R2.781 O=C(O)[C@H]1CC2=C(C=CC=C2)CN1 HY-13987 [0,1,0,1,0,0|1,0,0]=3 125 B14R2.4514 CN1C(=O)CC[C@H]1C2=CC=CN=C2 HY-B1178 [0,1,0,1,0,0|2,0,0]=4 126 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733 [0,0,0,0,2,0|2,0,0]=4 127 B10R1.18 CC(=O)OC1=CC=CC=C1 HY-128733R [0,0,0,0,2,0|2,0,0]=4 128 B10R1.18 CC(O)CC1=CC=CC=C1 HY-W101415 [0,0,0,0,2,0|1,0,1]=4 129 B10R1.18 NC(=O)CC1=CC=CC=C1 HY-W018197 [0,0,0,0,2,0|1,0,0]=3 130 B10R1.18 NC(=O)NC1=CC=CC=C1 HY-W017044 [0,0,0,0,2,0|2,0,0]=4 131 B10R1.18 O=C(O)CC1=CC=CC=N1 HY-W016825 [0,0,0,0,2,0|1,0,0]=3 132 B10R1.18 O=C(O)CC1=CC=CN=C1 HY-W004515 [0,0,0,0,2,0|1,0,0]=3 133 B10R1.18 O=C(O)CC1=CN=CC=C1 HY-W015806 [0,0,0,0,2,0|1,0,0]=3 134 B10R1.18 O=C(O)CC1=NC=CC=N1 HY-34190 [0,0,0,0,2,0|2,0,0]=4 135 B10R1.66 O=C(O)CCC1=CN=CN1 HY-W045271 [0,0,0,0,2,0|2,0,0]=4