0 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S306045 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.253 CC(=O)C(C)(O)C1=CC=CC=C1 S495409 [0,0,0,0,0,0|1,0,0]=1 2 B12R1.253 CC(C)(C(=O)N)C1=CC=CC=C1 PH011015 [0,0,0,0,0,0|2,0,0]=2 3 B12R1.253 CC(C)(C(=O)O)C1=CC=CC=C1 CDS000391 [0,0,0,0,0,0|1,0,0]=1 4 B12R1.253 CC(C)(C1=CC=NC=C1)[N+](=O)[O-] S918873 [0,0,0,0,0,0|3,0,1]=4 5 B12R1.253 CC(N)(C(=O)O)C1=CC=CC=C1 S116629 [0,0,0,0,0,0|1,0,0]=1 6 B12R1.253 CC(O)(C(=O)N)C1=CC=CC=C1 S888540 [0,0,0,0,0,0|1,0,0]=1 7 B12R1.253 CC(O)(C(=O)O)C1=CC=CC=C1 S315958 [0,0,0,0,0,0|0,0,0]=0 8 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S333697 [1,0,0,0,0,0|2,0,1]=4 9 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S486078 [1,0,0,0,0,0|2,0,1]=4 10 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S494992 [1,0,0,0,0,0|2,0,1]=4 11 B11R1.7 CCC(C)(N)C1=CC=CC=C1 S497304 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.7 COC(C)(C)C1=CC=CC=C1 S713104 [1,0,0,0,0,0|3,0,0]=4 13 B11R1.7 C[Si](C)(CO)C1=CC=CC=C1 S832316 [1,0,0,0,0,0|1,1,1]=4 14 B11R1.36 C(C)(N)[C@@H](C)C1=CC=CC=C1 S327697 [1,0,0,0,0,0|2,0,1]=4 15 B11R1.36 C(C)(N)[C@H](C)C1=CC=CC=C1 S316911 [1,0,0,0,0,0|2,0,1]=4 16 B11R1.36 C/C(=C(\C)/C1=CC=CC=C1)/Br S877883 [1,0,0,0,0,0|2,0,1]=4 17 B11R1.36 CC(=O)C(C)C1=CC=CC=C1 S881112 [1,0,0,0,0,0|1,0,0]=2 18 B11R1.36 CC(=O)N(C)C1=CC=CC=C1 S392146 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.36 CC(=O)N(C)C1=CC=CN=C1 T309508 [1,0,0,0,0,0|3,0,0]=4 20 B11R1.36 CC(C(=O)N)C1=CC=CC=C1 PH007480 [1,0,0,0,0,0|1,0,0]=2 21 B11R1.36 CC(C)C(C)C1=CC=CC=C1 S316091 [1,0,0,0,0,0|2,0,1]=4 22 B11R1.36 CC(C1=CC=CC=C1)N(C)C CDS001551 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.36 CC(O)C(C)C1=CC=CC=C1 R157589 [1,0,0,0,0,0|1,0,1]=3 24 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313424 [1,0,0,0,0,0|1,0,1]=3 25 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S313432 [1,0,0,0,0,0|1,0,1]=3 26 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S485527 [1,0,0,0,0,0|1,0,1]=3 27 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494054 [1,0,0,0,0,0|1,0,1]=3 28 B11R1.36 CC(O)C(C)C1=CC=CC=C1 S494062 [1,0,0,0,0,0|1,0,1]=3 29 B11R1.36 N=C(N)C(O)C1=CC=CC=C1 CBR01201 [1,0,0,0,0,0|2,0,0]=3 30 B11R1.36 NC(=O)[C@H](N)C1=CC=CC=C1 CDS003589 [1,0,0,0,0,0|2,0,0]=3 31 B11R1.36 O=C(O)C(O)C1=CC=CC=C1 S684473 [1,0,0,0,0,0|0,0,0]=1 32 B11R1.36 O=C(O)C(S)C1=CC=CC=C1 TMT00523 [1,0,0,0,0,0|0,1,0]=2 33 B11R1.36 O=P(O)C(O)C1=CC=CC=C1 S576263 [1,0,0,0,0,0|1,0,0]=2 34 B11R1.36 P(=O)([O-])C(O)C1=CC=CC=C1 S359920 [1,0,0,0,0,0|1,0,1]=3 35 B11R1.36 [C@@H](C)(O)[C@@H](C)C1=CC=CC=C1 L157201 [1,0,0,0,0,0|1,0,1]=3 36 B13R1.155 CC(C)(C)C(C)(O)C1=CC=CC=C1 S37827 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.522 CC(O)(C(=O)O)C1=CC=C(C=C1)Cl OTV000770 [0,1,0,0,0,0|0,0,0]=1 38 B13R1.708 COC(=O)C(C)(O)C1=CC=CC=C1 CDS020879 [0,1,0,0,0,0|0,0,0]=1 39 B13R1.708 COC(=O)C(C)(O)C1=CC=NC=C1 CDS021289 [0,1,0,0,0,0|1,0,0]=2 40 B13R1.3085 CC(C)C(C)(CO)C1=CC=CC=C1 S713279 [0,1,0,0,0,0|2,0,1]=4 41 B13R1.3085 CCC(C)(C(=O)O)C1=CC=CC=C1 S495018 [0,1,0,0,0,0|1,0,0]=2 42 B13R1.3085 CCC(C)(C(=O)O)C1=CC=CC=C1 S497207 [0,1,0,0,0,0|1,0,0]=2 43 B13R1.3085 CCC(O)(C1=CC=CC=C1)C(C)C PH001540 [0,1,0,0,0,0|2,0,1]=4 44 B13R1.3085 CC[C@](N)(C(=O)O)C1=CC=CC=C1 PH000156 [0,1,0,0,0,0|1,0,0]=2 45 B13R1.3085 COC(C)(C(=O)C)C1=CC=CC=C1 S324132 [0,1,0,0,0,0|1,0,0]=2 46 B13R1.3085 COC(C)(C1=CC=CC=C1)C(C)C S577332 [0,1,0,0,0,0|2,0,1]=4 47 B13R1.3493 CC(C)(C(=O)O)C1=CC(=CC=C1)Br OTV000687 [0,1,0,0,0,0|1,0,0]=2 48 B13R1.3493 CC(C)(C(=O)O)C1=CC=CC(=C1)Cl OTV000681 [0,1,0,0,0,0|1,0,0]=2 49 B13R1.3493 CC1=CC(=CC=C1)C(C)(C)C(=O)O PH010805 [0,1,0,0,0,0|1,0,0]=2 50 B13R2.359 CC1(C(=O)CC2=C1C=CC=C2)C PH008000 [0,0,0,1,0,0|2,0,0]=3 51 B13R2.439 NC(=O)C1(CC1)C2=CC=CC=C2 PH000225 [0,0,0,1,0,0|2,0,0]=3 52 B13R1.347 CC(=O)CC(C)(C)C1=CC=CC=C1 S657409 [0,0,0,0,0,1|2,0,0]=3 53 B13R1.1073 CC(=O)C(C)(Cl)CC1=CC=CC=C1 S567248 [0,0,0,0,0,1|2,0,0]=3 54 B13R1.1073 CC(C)(CC1=CC=CC=C1)C(=O)N PH007307 [0,0,0,0,0,1|2,0,0]=3 55 B13R1.1073 CC(C)(NC1=CC=CC=C1)P(=O)O PH009542 [0,0,0,0,0,1|2,0,0]=3 56 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)N PH001417 [0,0,0,0,0,1|2,0,0]=3 57 B13R1.1073 CC(C)(OC1=CC=CC=C1)C(=O)O PH010089 [0,0,0,0,0,1|1,0,0]=2 58 B13R1.1073 CC(C)(SC1=CC=CC=C1)C(=O)O OTV000153 [0,0,0,0,0,1|1,0,0]=2 59 B13R1.1073 CC(O)C(C)(C)CC1=CC=CC=C1 S734535 [0,0,0,0,0,1|2,0,1]=4 60 B10R1.15 C/C(=C/Br)/C1=CC=CC=C1 S881791 [2,0,0,0,0,0|1,0,1]=4 61 B10R1.15 CC(CBr)C1=CC=CC=C1 S461210 [2,0,0,0,0,0|1,0,1]=4 62 B10R1.15 CC(NN)C1=CC=CC=C1 PH009827 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.15 CN(N=O)C1=CC=CC=C1 PH000088 [2,0,0,0,0,0|2,0,0]=4 64 B10R1.15 CNC(C)C1=CC=CC=C1 CDS010605 [2,0,0,0,0,0|2,0,0]=4 65 B10R1.15 CNC(C)C1=CC=CC=C1 T172782 [2,0,0,0,0,0|2,0,0]=4 66 B10R1.15 NC(CO)C1=CC=CC=C1 CDS003505 [2,0,0,0,0,0|1,0,1]=4 67 B10R1.28 CC(C)(N)C1=CC=CC=C1 CDS000619 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.28 CC(C)(O)C1=CN=CC=C1 PH009821 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.18 C=C(C)CC1=CC=CC=C1 PH015451 [2,0,0,0,0,0|2,0,0]=4 70 B10R1.18 CC(=O)CC1=CC=CC=N1 CDS009231 [2,0,0,0,0,0|2,0,0]=4 71 B10R1.18 CC(=O)CC1=CC=CN=C1 CBR01416 [2,0,0,0,0,0|2,0,0]=4 72 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S596604 [2,0,0,0,0,0|2,0,0]=4 73 B10R1.18 CC(=O)C[N+]1=CC=CC=C1 S616583 [2,0,0,0,0,0|2,0,0]=4 74 B10R1.18 NC(=O)CC1=CC=CC=N1 S561525 [2,0,0,0,0,0|2,0,0]=4 75 B10R1.18 NC(=O)C[N+]1=CC=CC=C1 S501441 [2,0,0,0,0,0|2,0,0]=4 76 B10R1.18 O=C(Cl)SC1=CC=CC=C1 S561231 [2,0,0,0,0,0|2,0,0]=4 77 B10R1.18 O=C(O)CC1=CN=CC=N1 CDS003770 [2,0,0,0,0,0|2,0,0]=4 78 B10R1.18 O=C([O-])CC1=CN=CC=C1 S364703 [2,0,0,0,0,0|1,0,1]=4 79 B10R1.18 O=C([O-])C[N+]1=CC=CC=C1 S355224 [2,0,0,0,0,0|1,0,1]=4 80 B10R1.18 O=N(=O)CC1=CC=CC=C1 MNO000012 [2,0,0,0,0,0|1,0,1]=4 81 B12R1.9 CCC(C)(O)C1=CC=C(C=C1)Br S497274 [1,1,0,0,0,0|1,0,1]=4 82 B12R1.39 C=CCC(C)(O)C1=CC=CC=C1 S837326 [1,1,0,0,0,0|1,0,0]=3 83 B12R1.39 CCCC(C)(O)C1=CC=CC=C1 S109665 [1,1,0,0,0,0|1,0,1]=4 84 B12R1.39 CNCC(C)(O)C1=CC=CC=C1 PH015679 [1,1,0,0,0,0|1,0,1]=4 85 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S494623 [1,1,0,0,0,0|1,0,1]=4 86 B12R1.475 CCC(C)(CO)C1=CC=CC=C1 S495034 [1,1,0,0,0,0|1,0,1]=4 87 B12R1.475 CCC(C)(OC)C1=CC=CC=C1 S495042 [1,1,0,0,0,0|1,0,1]=4 88 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Br S838691 [1,1,0,0,0,0|2,0,0]=4 89 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)Cl PH007239 [1,1,0,0,0,0|2,0,0]=4 90 B12R1.20 CC(=O)N(C)C1=CC=C(C=C1)N R750425 [1,1,0,0,0,0|2,0,0]=4 91 B12R1.20 CC(C(=O)O)C1=CC=C(C=C1)F S450359 [1,1,0,0,0,0|0,0,0]=2 92 B12R1.20 NC(C(=O)O)C1=CC=C(C=C1)O PH000116 [1,1,0,0,0,0|1,0,0]=3 93 B12R1.20 NC1=CC=C(C=C1)C(N)C(=O)O PH000028 [1,1,0,0,0,0|1,0,0]=3 94 B12R1.20 O=C(O)C(O)C1=CC=C(C=C1)Cl CDS019939 [1,1,0,0,0,0|0,0,0]=2 95 B12R1.34 CC(C1=CC=CC=C1)N(C)N=O PH001188 [1,1,0,0,0,0|2,0,0]=4 96 B12R1.34 CCC(=O)C(C)C1=CC=CC=C1 S593516 [1,1,0,0,0,0|1,0,0]=3 97 B12R1.34 CCC(=O)N(C)C1=CC=CC=C1 S593400 [1,1,0,0,0,0|2,0,0]=4 98 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S310085 [1,1,0,0,0,0|1,0,1]=4 99 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S490628 [1,1,0,0,0,0|1,0,1]=4 100 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S494461 [1,1,0,0,0,0|1,0,1]=4 101 B12R1.34 CCC(O)C(C)C1=CC=CC=C1 S497460 [1,1,0,0,0,0|1,0,1]=4 102 B12R1.34 CN(C(=O)CBr)C1=CC=CC=C1 CBR00334 [1,1,0,0,0,0|2,0,0]=4 103 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S91740 [1,1,0,0,0,0|2,0,0]=4 104 B12R1.34 CN(C(=O)CCl)C1=CC=CC=C1 S953326 [1,1,0,0,0,0|2,0,0]=4 105 B12R1.34 CNC(=O)C(C)C1=CC=CC=C1 PH007481 [1,1,0,0,0,0|1,0,0]=3 106 B12R1.34 COC(=O)C(C)C1=CC=CC=C1 T278246 [1,1,0,0,0,0|0,0,0]=2 107 B12R1.34 COC(=O)C(Cl)C1=CC=CC=C1 S792535 [1,1,0,0,0,0|1,0,0]=3 108 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 S888060 [1,1,0,0,0,0|1,0,0]=3 109 B12R1.34 COC(=O)C(N)C1=CC=CC=C1 TMT00574 [1,1,0,0,0,0|1,0,0]=3 110 B12R1.34 COC(=O)C(O)C1=CN=CC=C1 PH015315 [1,1,0,0,0,0|1,0,0]=3 111 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH011988 [1,1,0,0,0,0|1,0,1]=4 112 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH012669 [1,1,0,0,0,0|1,0,1]=4 113 B12R1.34 NC(CO)C(O)C1=CC=CC=C1 PH018696 [1,1,0,0,0,0|1,0,1]=4 114 B12R1.34 NNC(=O)C(O)C1=CC=CC=C1 PH006903 [1,1,0,0,0,0|1,0,0]=3 115 B12R1.124 CC(C(=O)O)C1=CC=CC=C1F CDS023363 [1,1,0,0,0,0|0,0,0]=2 116 B12R1.124 CC1=CC=CC=C1C(C)C(=O)O S376779 [1,1,0,0,0,0|0,0,0]=2 117 B12R1.225 CC(=O)N(C)C1=CC(=CC=C1)Cl S559024 [1,1,0,0,0,0|2,0,0]=4 118 B12R1.225 O=C(O)C(O)C1=CC=CC(=C1)Br PH011789 [1,1,0,0,0,0|0,0,0]=2 119 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 R157570 [1,1,0,0,0,0|1,0,1]=4 120 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S490466 [1,1,0,0,0,0|1,0,1]=4 121 B12R1.478 C(C)(O)C(CC)C1=CC=CC=C1 S495131 [1,1,0,0,0,0|1,0,1]=4 122 B12R1.478 C(CC)(C1=CC=CC=C1)[C@@H](C)O S316032 [1,1,0,0,0,0|1,0,1]=4 123 B12R1.478 CC(=O)/C(=N\O)/C1=CC=CC=C1 PH008967 [1,1,0,0,0,0|1,0,1]=4 124 B12R1.478 CCC(C(=O)N)C1=CC=CC=C1 S364401 [1,1,0,0,0,0|1,0,0]=3 125 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S401900 [1,1,0,0,0,0|0,0,1]=3 126 B12R1.478 CCC(C(=O)[O-])C1=CC=CC=C1 S679364 [1,1,0,0,0,0|0,0,1]=3 127 B12R1.478 CCN(C(=O)Cl)C1=CC=CC=C1 PH010143 [1,1,0,0,0,0|2,0,0]=4 128 B12R1.478 CNC(C(=O)C)C1=CC=CC=C1 PH012470 [1,1,0,0,0,0|1,0,0]=3 129 B12R1.478 CNC(C(=O)O)C1=CC=CN=C1 PH018220 [1,1,0,0,0,0|1,0,0]=3 130 B12R1.478 COC(C(=O)N)C1=CC=CC=C1 S937428 [1,1,0,0,0,0|1,0,0]=3 131 B12R1.478 COC(C(=O)[O-])C1=CC=CC=C1 S564001 [1,1,0,0,0,0|0,0,1]=3 132 B12R1.478 O=C(O)/C(=N\O)/C1=CC=CC=C1 S332178 [1,1,0,0,0,0|0,0,1]=3 133 B12R1.478 [C@@H](OC)(C(=O)Cl)C1=CC=CC=C1 T306541 [1,1,0,0,0,0|1,0,0]=3 134 B12R1.564 NC(C1=CC=CC=C1)P(=O)(O)O PH011415 [1,1,0,0,0,0|2,0,0]=4 135 B12R1.564 NC(C1=CC=CC=C1)S(=O)(=O)O PH008647 [1,1,0,0,0,0|2,0,0]=4 136 B12R1.564 O=P(O)(O)C(O)C1=CC=CC=C1 PH010920 [1,1,0,0,0,0|1,0,0]=3 137 B12R1.564 O=P([O-])([O-])C(O)C1=CC=CC=C1 S602604 [1,1,0,0,0,0|1,0,1]=4 138 B12R1.564 O=S(=O)(O)C(O)C1=CC=NC=C1 S373729 [1,1,0,0,0,0|2,0,0]=4 139 B12R1.564 O=S(=O)([O-])C(O)C1=CC=CC=C1 S512184 [1,1,0,0,0,0|1,0,1]=4 140 B12R1.649 CCC(C)(C(=O)O)C1=CC=CS1 CDS016764 [0,1,0,0,1,0|2,0,0]=4 141 B14R1.694 CC(=O)CC(C)(C)C1=CC=C(C=C1)C S941557 [0,1,0,0,0,1|2,0,0]=4 142 B14R1.694 CC1=CC=C(C=C1)C(C)(C)CC(=O)O CDS010801 [0,1,0,0,0,1|1,0,0]=3 143 B14R1.3642 CC(=O)NC(C)(C#N)C1=CC=CC=C1 PH007431 [0,1,0,0,0,1|2,0,0]=4 144 B14R1.3642 CCC(C)(CC(=O)O)C1=CC=CC=C1 S490261 [0,1,0,0,0,1|1,0,0]=3 145 B14R1.3642 CCC(C)(OC(=O)C)C1=CC=CC=C1 S877069 [0,1,0,0,0,1|2,0,0]=4 146 B14R1.4404 CC(C)(CC1=CC(=CC=C1)F)C(=O)O PH017258 [0,1,0,0,0,1|1,0,0]=3 147 B14R1.4404 CC(C)(OC1=CC=CC(=C1)Cl)C(=O)O CDS005607 [0,1,0,0,0,1|1,0,0]=3 148 B14R1.7626 CC(=O)C(C)(Cl)CC1=CC=C(C=C1)Cl S567124 [0,1,0,0,0,1|2,0,0]=4 149 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Br)C(=O)N S824909 [0,1,0,0,0,1|2,0,0]=4 150 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Cl)C(=O)Cl PH011459 [0,1,0,0,0,1|2,0,0]=4 151 B14R1.7626 CC(C)(OC1=CC=C(C=C1)Cl)C(=O)N PH011082 [0,1,0,0,0,1|2,0,0]=4 152 B14R1.7626 CC(C)(OC1=CC=C(C=C1)F)C(=O)O PH010243 [0,1,0,0,0,1|1,0,0]=3 153 B14R1.7626 CC(C)(OC1=CC=C(C=C1)N)C(=O)O CDS017204 [0,1,0,0,0,1|1,0,0]=3 154 B14R1.7626 CC(N)(CC1=CC=C(C=C1)O)C(=O)O S783218 [0,1,0,0,0,1|1,0,0]=3 155 B14R1.7626 CC1=CC=C(C=C1)NC(C)(C)C(=O)O CBR01170 [0,1,0,0,0,1|1,0,0]=3 156 B14R1.7626 CC1=CC=C(C=C1)OC(C)(C)C(=O)N PH002851 [0,1,0,0,0,1|2,0,0]=4 157 B14R1.7626 CC1=CC=C(C=C1)OC(C)(C)C(=O)O CDS005609 [0,1,0,0,0,1|1,0,0]=3 158 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)N S12689 [0,1,0,0,0,1|2,0,0]=4 159 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S116548 [0,1,0,0,0,1|1,0,0]=3 160 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S120383 [0,1,0,0,0,1|1,0,0]=3 161 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S316059 [0,1,0,0,0,1|1,0,0]=3 162 B14R1.8844 CC(C#N)(CC1=CC=CC=C1)C(=O)O S490547 [0,1,0,0,0,1|1,0,0]=3 163 B14R1.3646 COC(C)(C1=CC=CC=C1)C(C)(C)O S333662 [0,2,0,0,0,0|1,0,1]=4 164 B14R1.3646 COC(C)(C1=CC=CC=C1)C(C)(C)O S485985 [0,2,0,0,0,0|1,0,1]=4 165 B14R1.3646 O=P(O)(O)C(O)(CO)C1=CC=CC=C1 PH007090 [0,2,0,0,0,0|1,0,0]=3 166 B14R1.213 COC1=CC=C(C=C1)C(C)(C)C(=O)O OTV000683 [0,2,0,0,0,0|1,0,0]=3 167 B14R1.4470 CC(C)(C(=O)O)C1=C(C=C(C=C1)Cl)Cl OTV000736 [0,2,0,0,0,0|1,0,0]=3 168 B14R1.2982 CCC(=O)C(C)(CC)C1=CC=CC=C1 S493813 [0,2,0,0,0,0|2,0,0]=4 169 B14R1.2982 CCC(C)(C(=O)NC)C1=CC=CC=C1 S497185 [0,2,0,0,0,0|2,0,0]=4 170 B14R1.2982 CCC(C)(C(=O)OC)C1=CC=CC=C1 S12581 [0,2,0,0,0,0|1,0,0]=3 171 B14R1.2982 CCC(C)(C(=O)OC)C1=CC=CC=C1 S324167 [0,2,0,0,0,0|1,0,0]=3 172 B14R1.2982 COC(=O)C(C)(CO)C1=CC=CC=C1 T295957 [0,2,0,0,0,0|0,0,0]=2 173 B14R1.2982 COC(=O)C(C)(OC)C1=CC=CC=C1 S497258 [0,2,0,0,0,0|0,0,0]=2 174 B14R1.6396 O=C(O)C(F)(C(=O)O)C1=CC=CC=C1 PH003338 [0,2,0,0,0,0|1,0,0]=3 175 B14R1.6716 C(=O)NC(C)(C(=O)O)C1=CC=CC=C1 S101273 [0,2,0,0,0,0|0,0,1]=3 176 B14R1.6716 C(=O)NC(C)(C(=O)O)C1=CC=CC=C1 S116580 [0,2,0,0,0,0|0,0,1]=3 177 B14R1.6716 CCCC(N)(C(=O)C)C1=CC=CC=C1 PH012952 [0,2,0,0,0,0|2,0,0]=4 178 B14R1.6939 O=[N+]([O-])C(CO)(CO)C1=CC=CC=C1 MNO000036 [0,2,0,0,0,0|1,0,1]=4 179 B14R1.1711 COC1=CC=CC=C1C(C)(C)C(=O)O OTV000684 [0,2,0,0,0,0|1,0,0]=3 180 B12R2.18 CN1C(=O)NC2=CC=CC=C12 PH010060 [1,0,0,1,0,0|2,0,0]=4 181 B12R2.18 CN1C(=S)OC2=C1C=CC=C2 TMT00405 [1,0,0,1,0,0|1,1,0]=4 182 B12R2.18 NC1C(=O)NC2=CC=CC=C12 CBR00797 [1,0,0,1,0,0|2,0,0]=4 183 B12R2.18 O=C1CC2=C(N1O)C=CC=C2 PH003463 [1,0,0,1,0,0|2,0,0]=4 184 B12R2.18 O=C1NC2=C(C1O)C=CC=C2 PH010628 [1,0,0,1,0,0|1,0,0]=3 185 B14R2.639 CC1(NC2=CC=CC=C2NC1=O)C T325759 [0,0,0,1,0,1|2,0,0]=4 186 B14R2.639 CC1(OC2=CC=CC=C2NC1=O)C JRD0407 [0,0,0,1,0,1|2,0,0]=4 187 B14R2.639 CC1(OC2=CC=CC=C2OC1=O)C T319716 [0,0,0,1,0,1|1,0,0]=3 188 B14R2.639 CC1(SC2=CC=CC=C2NC1=O)C VBP00118 [0,0,0,1,0,1|2,0,0]=4 189 B14R2.10595 CC1=CC=C(C=C1)C2(CC2)C(=O)O S448206 [0,1,0,1,0,0|1,0,0]=3 190 B14R2.10595 O=C(Cl)C1(CC1)C2=CC=C(C=C2)F OTV000629 [0,1,0,1,0,0|2,0,0]=4 191 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)Br BBO000686 [0,1,0,1,0,0|1,0,0]=3 192 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)Br CDS013359 [0,1,0,1,0,0|1,0,0]=3 193 B14R2.10595 O=C(O)C1(CC1)C2=CC=C(C=C2)F BBO000772 [0,1,0,1,0,0|1,0,0]=3 194 B14R2.743 CC1(C(=O)C=CC2=C1C=CC=C2)O S956015 [0,1,0,1,0,0|1,0,0]=3 195 B14R2.743 CC1(C(=O)CCC2=C1C=CC=C2)C S58743 [0,1,0,1,0,0|2,0,0]=4 196 B14R2.979 COC(=O)C1(CC1)C2=CC=CC=C2 EME00172 [0,1,0,1,0,0|1,0,0]=3 197 B14R2.20876 O=C(O)C1(CC1)C2=CC=CC(=C2)Br BBO000753 [0,1,0,1,0,0|1,0,0]=3 198 B14R2.20876 O=C(O)C1(CC1)C2=CC=CC(=C2)Cl BBO000752 [0,1,0,1,0,0|1,0,0]=3 199 B14R2.4630 O=C(O)C1(CC1)C2=C(C=CC=C2)Cl OTV000688 [0,1,0,1,0,0|1,0,0]=3 200 B14R2.4630 O=C(O)C1(CC1)C2=CC=CC=C2F CBR00122 [0,1,0,1,0,0|1,0,0]=3 201 B12R1.194 CC(C)(CO)CC1=CC=CC=C1 R425613 [1,0,0,0,0,1|1,0,1]=4 202 B12R1.194 CCC(C)(O)CC1=CC=CC=C1 PH010917 [1,0,0,0,0,1|1,0,1]=4 203 B12R1.43 CC(=O)N(C)NC1=CC=CC=C1 S548928 [1,0,0,0,0,1|2,0,0]=4 204 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S101400 [1,0,0,0,0,1|1,0,0]=3 205 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S494143 [1,0,0,0,0,1|1,0,0]=3 206 B12R1.43 CC(CC1=CC=CC=C1)C(=O)N S497290 [1,0,0,0,0,1|1,0,0]=3 207 B12R1.43 CC(SC1=CC=CC=C1)C(=O)O T214256 [1,0,0,0,0,1|0,0,0]=2 208 B12R1.43 CC(SC1=NC=CC=C1)C(=O)O EME00360 [1,0,0,0,0,1|1,0,0]=3 209 B12R1.43 CC(SC1=NC=CC=N1)C(=O)O EME00361 [1,0,0,0,0,1|2,0,0]=4 210 B12R1.43 CN(CC1=CC=CC=C1)C(=O)Cl PH008817 [1,0,0,0,0,1|2,0,0]=4 211 B12R1.43 NC(CC1=CC=CC=N1)C(=O)O CDS020095 [1,0,0,0,0,1|2,0,0]=4 212 B12R1.43 NC(CC1=CC=CN=C1)C(=O)O CDS020090 [1,0,0,0,0,1|2,0,0]=4 213 B12R1.43 N[C@@H](CC1=CC=CC=C1)C(=O)O PH000113 [1,0,0,0,0,1|1,0,0]=3 214 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Br S808768 [1,0,0,0,0,1|1,0,1]=4 215 B12R1.43 O=C(O)/C(=C/C1=CC=CC=C1)/Cl PH009328 [1,0,0,0,0,1|1,0,1]=4 216 B12R1.43 O=C(O)/C(=C\C1=CC=CC=C1)/Cl PH004529 [1,0,0,0,0,1|1,0,1]=4 217 B12R1.43 O=C(O)C(Br)CC1=CC=CC=C1 T136158 [1,0,0,0,0,1|1,0,0]=3 218 B12R1.43 O=C(O)C(O)CC1=CC=CN=C1 CDS008837 [1,0,0,0,0,1|1,0,0]=3 219 B12R1.43 O=C([O-])C(O)CC1=CC=CC=C1 S789089 [1,0,0,0,0,1|0,0,1]=3 220 B12R1.107 C/C(=C\C(=O)N)/C1=CC=CC=C1 PH007020 [1,0,0,0,0,1|1,0,1]=4 221 B12R1.107 C/C(=C\C(=O)O)/C1=CC=CC=C1 S808334 [1,0,0,0,0,1|0,0,1]=3 222 B12R1.107 CC(=O)NN(C)C1=CC=CC=C1 PH007050 [1,0,0,0,0,1|2,0,0]=4 223 B12R1.107 C[C@H](CC(=O)O)C1=CC=CC=C1 PH000708 [1,0,0,0,0,1|0,0,0]=2 224 B12R1.259 CC(C)(CC(=O)O)N1C=CC=C1 CDS006450 [0,0,0,0,1,1|2,0,0]=4 225 B14R1.1485 CC(=O)NC(C)(C)CC1=CC=CC=C1 PH007623 [0,0,0,0,0,2|2,0,0]=4 226 B14R1.1485 CC(C)(CC(=O)O)SC1=CC=CC=C1 PH009204 [0,0,0,0,0,2|1,0,0]=3 227 B14R1.6395 CC(C)(CSC1=CC=CC=C1)C(=O)O PH004294 [0,0,0,0,0,2|1,0,0]=3