0 B7R1.2 BrC1=CC(Br)=NN1 AMY19559 [0,0,0,0,0,0|4,0,0]=4 1 B7R1.2 BrC1=CSC(Br)=C1 AMY2556 [0,0,0,0,0,0|3,0,1]=4 2 B7R1.2 CC1=CC(=O)NO1 AMY22453 [0,0,0,0,0,0|2,0,0]=2 3 B7R1.2 CC1=CC(Br)=CS1 AM20090389 [0,0,0,0,0,0|2,0,1]=3 4 B7R1.2 CC1=CC(Br)=NN1 AM804058 [0,0,0,0,0,0|3,0,0]=3 5 B7R1.2 CC1=CC(Br)=NO1 AM803594 [0,0,0,0,0,0|3,0,0]=3 6 B7R1.2 CC1=CC(C)=NN1 AMY40839 [0,0,0,0,0,0|3,0,0]=3 7 B7R1.2 CC1=CC(C)=NO1 AM20090405 [0,0,0,0,0,0|3,0,0]=3 8 B7R1.2 CC1=CC(Cl)=NN1 AM20080428 [0,0,0,0,0,0|3,0,0]=3 9 B7R1.2 CC1=CC(Cl)=NO1 AM806513 [0,0,0,0,0,0|3,0,0]=3 10 B7R1.2 CC1=CC(N)=NN1 AM803678 [0,0,0,0,0,0|3,0,0]=3 11 B7R1.2 CC1=CC(N)=NO1 AM20080024 [0,0,0,0,0,0|3,0,0]=3 12 B7R1.2 CC1=CC(N)=NS1 AMY42473 [0,0,0,0,0,0|3,0,0]=3 13 B7R1.2 CC1=CC=C(Br)O1 AM806617 [0,0,0,0,0,0|2,0,2]=4 14 B7R1.2 CC1=CC=C(Br)S1 AM20100755 [0,0,0,0,0,0|2,0,2]=4 15 B7R1.2 CC1=CC=C(C)O1 AM81813 [0,0,0,0,0,0|2,0,2]=4 16 B7R1.2 CC1=CC=C(Cl)S1 AMY31416 [0,0,0,0,0,0|2,0,2]=4 17 B7R1.2 CC1=CC=C(I)S1 AMY31922 [0,0,0,0,0,0|2,0,2]=4 18 B7R1.2 CC1=CN(C)C=N1 AM804171 [0,0,0,0,0,0|3,0,1]=4 19 B7R1.2 CC1=CN(C)N=C1 AMY25522 [0,0,0,0,0,0|3,0,1]=4 20 B7R1.2 CC1=CN=C(Br)S1 AM20100103 [0,0,0,0,0,0|3,0,1]=4 21 B7R1.2 CC1=CN=C(I)N1 AM805967 [0,0,0,0,0,0|3,0,1]=4 22 B7R1.2 CC1=CN=C(N)O1 AM803709 [0,0,0,0,0,0|3,0,1]=4 23 B7R1.2 CC1=CN=C(N)S1 AM20100697 [0,0,0,0,0,0|3,0,1]=4 24 B7R1.2 CC1=CNC(C)=C1 AMY3543 [0,0,0,0,0,0|2,0,1]=3 25 B7R1.2 CC1=CNC(C)=N1 AM20120338 [0,0,0,0,0,0|3,0,1]=4 26 B7R1.2 CC1=COC(Br)=N1 AMY23967 [0,0,0,0,0,0|3,0,1]=4 27 B7R1.2 CC1=COC(N)=N1 AM20090562 [0,0,0,0,0,0|3,0,1]=4 28 B7R1.2 CC1=CSC(Br)=N1 AM20100691 [0,0,0,0,0,0|3,0,1]=4 29 B7R1.2 CC1=CSC(C)=N1 AM20100334 [0,0,0,0,0,0|3,0,1]=4 30 B7R1.2 CC1=CSC(Cl)=N1 AM803610 [0,0,0,0,0,0|3,0,1]=4 31 B7R1.2 CC1=CSC(N)=C1 AM20080364 [0,0,0,0,0,0|2,0,1]=3 32 B7R1.2 CC1=CSC(N)=N1 AM20080431 [0,0,0,0,0,0|3,0,1]=4 33 B7R1.2 CC1=NC(=O)ON1 AM20080700 [0,0,0,0,0,0|3,0,0]=3 34 B7R1.2 CC1=NC(Br)=CN1 AM803290 [0,0,0,0,0,0|3,0,1]=4 35 B7R1.2 CC1=NC(Br)=CS1 AMY34939 [0,0,0,0,0,0|3,0,1]=4 36 B7R1.2 CC1=NC(I)=CN1 AM807433 [0,0,0,0,0,0|3,0,1]=4 37 B7R1.2 CC1=NC(N)=NO1 AMY38392 [0,0,0,0,0,0|4,0,0]=4 38 B7R1.2 CC1=NC=C(N)S1 AMY26047 [0,0,0,0,0,0|3,0,1]=4 39 B7R1.2 CC1=NN=C(Br)O1 AMY41069 [0,0,0,0,0,0|4,0,0]=4 40 B7R1.2 CC1=NN=C(Br)S1 AM20100330 [0,0,0,0,0,0|4,0,0]=4 41 B7R1.2 CC1=NN=C(N)N1 AMY32454 [0,0,0,0,0,0|4,0,0]=4 42 B7R1.2 CC1=NN=C(N)O1 AMY10288 [0,0,0,0,0,0|4,0,0]=4 43 B7R1.2 CC1=NN=C(N)S1 AMY3777 [0,0,0,0,0,0|4,0,0]=4 44 B7R1.2 CC1=NNC(=S)S1 AM90361 [0,0,0,0,0,0|3,1,0]=4 45 B7R1.2 CC1=NNC(Br)=C1 AM804068 [0,0,0,0,0,0|3,0,0]=3 46 B7R1.2 CC1=NOC(N)=C1 AM803226 [0,0,0,0,0,0|3,0,0]=3 47 B7R1.2 CC1=NSC(=O)O1 AMY14827 [0,0,0,0,0,0|3,0,0]=3 48 B7R1.2 CC1=NSC(Cl)=N1 AM20090202 [0,0,0,0,0,0|4,0,0]=4 49 B7R1.2 CC1=NSC(N)=C1 AMY37728 [0,0,0,0,0,0|3,0,0]=3 50 B7R1.2 CC1=NSC(N)=C1 AMY37729 [0,0,0,0,0,0|3,0,0]=3 51 B7R1.2 CC1=NSC(N)=N1 AM803347 [0,0,0,0,0,0|4,0,0]=4 52 B7R1.2 CN1C=C(Br)C=N1 AM20080419 [0,0,0,0,0,0|3,0,1]=4 53 B7R1.2 CN1C=C(Br)N=N1 AMY3718 [0,0,0,0,0,0|4,0,0]=4 54 B7R1.2 CN1C=C(Cl)C=N1 AM20090567 [0,0,0,0,0,0|3,0,1]=4 55 B7R1.2 CN1C=C(I)C=N1 AM62770 [0,0,0,0,0,0|3,0,1]=4 56 B7R1.2 CN1C=C(N)C=N1 AM20100657 [0,0,0,0,0,0|3,0,1]=4 57 B7R1.2 CN1C=C(N)C=N1 AMY10788 [0,0,0,0,0,0|3,0,1]=4 58 B7R1.2 CN1C=C(O)C=N1 AMY1942 [0,0,0,0,0,0|2,0,2]=4 59 B7R1.2 CN1C=CC(=O)N1 AMY281 [0,0,0,0,0,0|2,0,2]=4 60 B7R1.2 CN1C=NC(Br)=C1 AM803591 [0,0,0,0,0,0|3,0,1]=4 61 B7R1.2 CN1C=NC(I)=C1 AM804272 [0,0,0,0,0,0|3,0,1]=4 62 B7R1.2 CN1C=NC(N)=C1 AM10052 [0,0,0,0,0,0|3,0,1]=4 63 B7R1.2 CN1C=NC(N)=C1 AM85916 [0,0,0,0,0,0|3,0,1]=4 64 B7R1.2 CN1CCC(=O)C1 AM20100632 [0,0,0,0,0,0|1,0,1]=2 65 B7R1.2 CN1CCC(=O)C1 AMY25051 [0,0,0,0,0,0|1,0,1]=2 66 B7R1.2 CN1CC[C@@H](N)C1 AMY4251 [0,0,0,0,0,0|2,0,2]=4 67 B7R1.2 CN1CC[C@@H](O)C1 AMY6896 [0,0,0,0,0,0|1,0,3]=4 68 B7R1.2 CN1CC[C@H](Br)C1 AM90549 [0,0,0,0,0,0|2,0,2]=4 69 B7R1.2 CN1CC[C@H](Br)C1 AM95159 [0,0,0,0,0,0|2,0,2]=4 70 B7R1.2 CN1CC[C@H](Br)C1 AM95472 [0,0,0,0,0,0|2,0,2]=4 71 B7R1.2 CN1CC[C@H](Cl)C1 AM90550 [0,0,0,0,0,0|2,0,2]=4 72 B7R1.2 CN1CC[C@H](Cl)C1 AM95465 [0,0,0,0,0,0|2,0,2]=4 73 B7R1.2 CN1CC[C@H](Cl)C1 AM96651 [0,0,0,0,0,0|2,0,2]=4 74 B7R1.2 CN1CC[C@H](I)C1 AM95042 [0,0,0,0,0,0|2,0,2]=4 75 B7R1.2 CN1CC[C@H](I)C1 AM96157 [0,0,0,0,0,0|2,0,2]=4 76 B7R1.2 CN1CC[C@H](I)C1 AM96345 [0,0,0,0,0,0|2,0,2]=4 77 B7R1.2 CN1CC[C@H](N)C1 AM100508 [0,0,0,0,0,0|2,0,2]=4 78 B7R1.2 CN1CC[C@H](N)C1 AM20080232 [0,0,0,0,0,0|2,0,2]=4 79 B7R1.2 CN1CC[C@H](N)C1 AM20100169 [0,0,0,0,0,0|2,0,2]=4 80 B7R1.2 CN1CC[C@H](N)C1 AMY4271 [0,0,0,0,0,0|2,0,2]=4 81 B7R1.2 CN1CC[C@H](O)C1 AM20080233 [0,0,0,0,0,0|1,0,3]=4 82 B7R1.2 CN1CC[C@H](O)C1 AMY30559 [0,0,0,0,0,0|1,0,3]=4 83 B7R1.2 C[C@@H]1CCC(=O)N1 AMY37338 [0,0,0,0,0,0|1,0,1]=2 84 B7R1.2 C[C@@H]1CC[C@@H](C)N1 AMY202003238 [0,0,0,0,0,0|2,0,2]=4 85 B7R1.2 C[C@@H]1CNC(=O)C1 AMY34987 [0,0,0,0,0,0|1,0,2]=3 86 B7R1.2 C[C@H]1CCC(=O)C1 AMY3874 [0,0,0,0,0,0|0,0,2]=2 87 B7R1.2 C[C@H]1CCC(=O)N1 AMY23794 [0,0,0,0,0,0|1,0,1]=2 88 B7R1.2 C[C@H]1CC[C@H](C)N1 AMY202003211 [0,0,0,0,0,0|2,0,2]=4 89 B7R1.2 C[C@H]1CNC(=O)C1 AMY35747 [0,0,0,0,0,0|1,0,2]=3 90 B7R1.2 C[C@H]1CNC(=O)O1 AMY3772 [0,0,0,0,0,0|2,0,1]=3 91 B7R1.2 NC1=CC(=O)N=N1 AM20100722 [0,0,0,0,0,0|3,0,0]=3 92 B7R1.2 NC1=CC(Br)=NN1 AMY27170 [0,0,0,0,0,0|4,0,0]=4 93 B7R1.2 NC1=CC(O)=NN1 AMY11951 [0,0,0,0,0,0|3,0,1]=4 94 B7R1.2 NC1=NC(=O)CS1 AMY31386 [0,0,0,0,0,0|3,0,0]=3 95 B7R1.2 NC1=NNC(Br)=C1 AM807168 [0,0,0,0,0,0|4,0,0]=4 96 B7R1.2 NC1=NNC(Cl)=C1 AMY33712 [0,0,0,0,0,0|4,0,0]=4 97 B7R1.2 NC1=NNC(O)=C1 AM20100491 [0,0,0,0,0,0|3,0,1]=4 98 B7R1.2 N[C@@H]1CNC(=O)C1 AMY34929 [0,0,0,0,0,0|2,0,2]=4 99 B7R1.2 N[C@@H]1COC(=O)C1 AMY22231 [0,0,0,0,0,0|2,0,2]=4 100 B7R1.2 N[C@H]1COC(=O)C1 AMY18836 [0,0,0,0,0,0|2,0,2]=4 101 B7R1.2 O=C1C=C(Br)CN1 AMY36765 [0,0,0,0,0,0|2,0,0]=2 102 B7R1.2 O=C1C=CC(=O)N1 AMY236 [0,0,0,0,0,0|2,0,2]=4 103 B7R1.2 O=C1CCC(=O)C1 AM20100026 [0,0,0,0,0,0|1,0,1]=2 104 B7R1.2 O=C1CC[C@H](O)C1 AMY33737 [0,0,0,0,0,0|1,0,2]=3 105 B7R1.2 O=C1CNC(=O)C1 AM20120511 [0,0,0,0,0,0|2,0,1]=3 106 B7R1.2 O=C1CSC(=O)N1 AM20090236 [0,0,0,0,0,0|3,0,0]=3 107 B7R1.2 O=C1CSC(=S)N1 AMY21863 [0,0,0,0,0,0|3,0,0]=3 108 B7R1.2 O=C1C[C@H](O)CN1 AM20090229 [0,0,0,0,0,0|2,0,2]=4 109 B7R1.2 O=C1C[C@H](O)CN1 AM20100631 [0,0,0,0,0,0|2,0,2]=4 110 B7R1.2 O=C1C[C@H](O)CN1 AMY22949 [0,0,0,0,0,0|2,0,2]=4 111 B7R1.2 O=C1C[C@H](O)CO1 AMY4221 [0,0,0,0,0,0|2,0,2]=4 112 B7R1.2 O=C1OC[C@H](Cl)O1 AMY19473 [0,0,0,0,0,0|3,0,1]=4 113 B7R1.2 S=C1CSC(=S)N1 AMY21570 [0,0,0,0,0,0|3,1,0]=4 114 B7R1.2 [CH][C@H]1CCN(C)C1 AMY4401 [0,0,0,0,0,0|2,0,2]=4 115 B6R1.2 BrC1=CC=CO1 AMY11096 [1,0,0,0,0,0|2,0,1]=4 116 B6R1.2 BrC1=CC=CS1 AMY21853 [1,0,0,0,0,0|2,0,1]=4 117 B6R1.2 BrC1=CC=NO1 AMY42513 [1,0,0,0,0,0|3,0,0]=4 118 B6R1.2 BrC1=CCCC1 AMY38286 [1,0,0,0,0,0|1,0,1]=3 119 B6R1.2 BrC1=CNC=C1 AMY19187 [1,0,0,0,0,0|2,0,1]=4 120 B6R1.2 BrC1=COC=C1 AM81635 [1,0,0,0,0,0|2,0,1]=4 121 B6R1.2 BrC1=CSC=C1 AM81213 [1,0,0,0,0,0|2,0,1]=4 122 B6R1.2 BrC1=NNC=C1 AM20080342 [1,0,0,0,0,0|3,0,0]=4 123 B6R1.2 BrC1=NOC=C1 AM802930 [1,0,0,0,0,0|3,0,0]=4 124 B6R1.2 C=C1CCOC1 AMY6014 [1,0,0,0,0,0|1,0,2]=4 125 B6R1.2 CC1=CC=CN1 AMY18997 [1,0,0,0,0,0|1,0,1]=3 126 B6R1.2 CC1=CC=CO1 AMY11051 [1,0,0,0,0,0|1,0,1]=3 127 B6R1.2 CC1=CC=CS1 AMY23234 [1,0,0,0,0,0|1,0,1]=3 128 B6R1.2 CC1=CC=NN1 AM20120265 [1,0,0,0,0,0|2,0,0]=3 129 B6R1.2 CC1=CC=NO1 AM20100414 [1,0,0,0,0,0|2,0,0]=3 130 B6R1.2 CC1=CCCC1 AMY6023 [1,0,0,0,0,0|0,0,1]=2 131 B6R1.2 CC1=CN=C[Tb]1 AMY33347 [1,0,0,0,0,0|2,0,1]=4 132 B6R1.2 CC1=CNC=C1 AMY14173 [1,0,0,0,0,0|1,0,1]=3 133 B6R1.2 CC1=CNC=N1 AMY23279 [1,0,0,0,0,0|2,0,1]=4 134 B6R1.2 CC1=CNN=C1 AM20100737 [1,0,0,0,0,0|2,0,1]=4 135 B6R1.2 CC1=CNN=N1 AMY22953 [1,0,0,0,0,0|3,0,0]=4 136 B6R1.2 CC1=COC=N1 AMY32123 [1,0,0,0,0,0|2,0,1]=4 137 B6R1.2 CC1=CSC=C1 AMY40151 [1,0,0,0,0,0|1,0,1]=3 138 B6R1.2 CC1=CSC=N1 AM20100646 [1,0,0,0,0,0|2,0,1]=4 139 B6R1.2 CC1=NC=CN1 AM20100647 [1,0,0,0,0,0|2,0,1]=4 140 B6R1.2 CC1=NC=CO1 AMY24088 [1,0,0,0,0,0|2,0,1]=4 141 B6R1.2 CC1=NC=CS1 AM20090566 [1,0,0,0,0,0|2,0,1]=4 142 B6R1.2 CC1=NCCC1 AMY886 [1,0,0,0,0,0|1,0,1]=3 143 B6R1.2 CC1=NCCS1 AMY23228 [1,0,0,0,0,0|2,0,1]=4 144 B6R1.2 CC1=NN=CO1 AM20090539 [1,0,0,0,0,0|3,0,0]=4 145 B6R1.2 CC1=NNC=C1 AM62623 [1,0,0,0,0,0|2,0,0]=3 146 B6R1.2 CC1=NNC=N1 AMY10447 [1,0,0,0,0,0|3,0,0]=4 147 B6R1.2 CC1CCCC1 AMY21930 [1,0,0,0,0,0|0,0,3]=4 148 B6R1.2 CN1C=CC=C1 AM10659 [1,0,0,0,0,0|1,0,2]=4 149 B6R1.2 CN1C=CC=N1 AM20120336 [1,0,0,0,0,0|2,0,1]=4 150 B6R1.2 CN1C=CN=N1 AMY23102 [1,0,0,0,0,0|3,0,0]=4 151 B6R1.2 CN1CCCC1 AMY25542 [1,0,0,0,0,0|1,0,2]=4 152 B6R1.2 C[C@@H]1CCNC1 AMY37511 [1,0,0,0,0,0|1,0,2]=4 153 B6R1.2 C[C@H]1CCCN1 AM20080260 [1,0,0,0,0,0|1,0,2]=4 154 B6R1.2 C[C@H]1CCCN1 AM20090040 [1,0,0,0,0,0|1,0,2]=4 155 B6R1.2 C[C@H]1CCCN1 AM20100102 [1,0,0,0,0,0|1,0,2]=4 156 B6R1.2 C[C@H]1CCCN1 AM20100445 [1,0,0,0,0,0|1,0,2]=4 157 B6R1.2 C[C@H]1CCCN1 AM20100751 [1,0,0,0,0,0|1,0,2]=4 158 B6R1.2 C[C@H]1CCCO1 AM81816 [1,0,0,0,0,0|1,0,2]=4 159 B6R1.2 C[C@H]1CCNC1 AM803039 [1,0,0,0,0,0|1,0,2]=4 160 B6R1.2 C[C@H]1CCNC1 AM803735 [1,0,0,0,0,0|1,0,2]=4 161 B6R1.2 C[C@H]1CCNC1 AMY37562 [1,0,0,0,0,0|1,0,2]=4 162 B6R1.2 ClC1=CC=CS1 AM82003 [1,0,0,0,0,0|2,0,1]=4 163 B6R1.2 ClC1=CC=NN1 AMY19315 [1,0,0,0,0,0|3,0,0]=4 164 B6R1.2 ClC1=CSC=C1 AMY23250 [1,0,0,0,0,0|2,0,1]=4 165 B6R1.2 ClC1=NNC=C1 AMY11915 [1,0,0,0,0,0|3,0,0]=4 166 B6R1.2 FC1=CC=CS1 AM85431 [1,0,0,0,0,0|2,0,1]=4 167 B6R1.2 FC1=CNC=C1 AMY14699 [1,0,0,0,0,0|2,0,1]=4 168 B6R1.2 FC1=NNC=C1 AMY34850 [1,0,0,0,0,0|3,0,0]=4 169 B6R1.2 IC1=CC=CS1 AM86883 [1,0,0,0,0,0|2,0,1]=4 170 B6R1.2 IC1=CC=NN1 AM20070657 [1,0,0,0,0,0|3,0,0]=4 171 B6R1.2 IC1=CSC=C1 AM20070697 [1,0,0,0,0,0|2,0,1]=4 172 B6R1.2 IC1=NNC=C1 AM803927 [1,0,0,0,0,0|3,0,0]=4 173 B6R1.2 N=C1CCCC1 AMY39966 [1,0,0,0,0,0|1,0,2]=4 174 B6R1.2 NC1=CC=NN1 AMY23077 [1,0,0,0,0,0|3,0,0]=4 175 B6R1.2 NC1=CC=NO1 AM20080357 [1,0,0,0,0,0|3,0,0]=4 176 B6R1.2 NC1=CC=NS1 AMY18758 [1,0,0,0,0,0|3,0,0]=4 177 B6R1.2 NC1=CSC=C1 AMY15168 [1,0,0,0,0,0|2,0,1]=4 178 B6R1.2 NC1=CSC=C1 AMY15435 [1,0,0,0,0,0|2,0,1]=4 179 B6R1.2 NC1=CSC=C1 AMY5250 [1,0,0,0,0,0|2,0,1]=4 180 B6R1.2 NC1=NNC=C1 AM20090067 [1,0,0,0,0,0|3,0,0]=4 181 B6R1.2 NC1=NOC=C1 AM20090043 [1,0,0,0,0,0|3,0,0]=4 182 B6R1.2 O=C1C=CCC1 AM61702 [1,0,0,0,0,0|0,0,0]=1 183 B6R1.2 O=C1C=CCO1 AM20100212 [1,0,0,0,0,0|1,0,0]=2 184 B6R1.2 O=C1C=CNN1 AMY11929 [1,0,0,0,0,0|2,0,0]=3 185 B6R1.2 O=C1CC=NN1 AMY11924 [1,0,0,0,0,0|2,0,1]=4 186 B6R1.2 O=C1CCCC1 AMY37126 [1,0,0,0,0,0|0,0,2]=3 187 B6R1.2 O=C1CCCN1 AMY25506 [1,0,0,0,0,0|1,0,1]=3 188 B6R1.2 O=C1CCNC1 AM20120384 [1,0,0,0,0,0|1,0,1]=3 189 B6R1.2 O=C1CCNC1 AMY6183 [1,0,0,0,0,0|1,0,1]=3 190 B6R1.2 O=C1CCNN1 AMY39277 [1,0,0,0,0,0|2,0,0]=3 191 B6R1.2 O=C1CCOC1 AM20090235 [1,0,0,0,0,0|1,0,1]=3 192 B6R1.2 O=C1CCSC1 AMY23378 [1,0,0,0,0,0|1,0,1]=3 193 B6R1.2 O=C1CNCN1 AM84594 [1,0,0,0,0,0|2,0,1]=4 194 B6R1.2 O=C1NC=CN1 AMY20044 [1,0,0,0,0,0|2,0,1]=4 195 B6R1.2 O=C1NCCN1 AM20080146 [1,0,0,0,0,0|2,0,1]=4 196 B6R1.2 O=C1NCCO1 AMY39498 [1,0,0,0,0,0|2,0,1]=4 197 B6R1.2 O=C1OC=CO1 AMY10397 [1,0,0,0,0,0|2,0,1]=4 198 B6R1.2 OC1=NNC=C1 AMY4993 [1,0,0,0,0,0|2,0,1]=4 199 B6R1.2 OC1=NOC=C1 AMY12303 [1,0,0,0,0,0|2,0,1]=4 200 B6R1.2 SC1=CC=CS1 AMY33408 [1,0,0,0,0,0|1,1,1]=4 201 B6R1.2 SC1=CSC=C1 AMY10985 [1,0,0,0,0,0|1,1,1]=4 202 B8R1.1 CC1=CC(C#N)=NO1 AM100973 [0,1,0,0,0,0|3,0,0]=4 203 B8R1.1 CC1=CC(C=O)=NO1 AM804146 [0,1,0,0,0,0|2,0,0]=3 204 B8R1.1 CC1=CC(CCl)=NO1 AMY27043 [0,1,0,0,0,0|3,0,0]=4 205 B8R1.1 CC1=CC(CN)=NO1 AM20080394 [0,1,0,0,0,0|3,0,0]=4 206 B8R1.1 CC1=CC(CO)=NN1 AM806535 [0,1,0,0,0,0|2,0,1]=4 207 B8R1.1 CC1=CC(CO)=NO1 AM85740 [0,1,0,0,0,0|2,0,1]=4 208 B8R1.1 CC1=CC=C(C=O)N1 AM803022 [0,1,0,0,0,0|1,0,2]=4 209 B8R1.1 CC1=CC=C(C=O)O1 AMY23296 [0,1,0,0,0,0|1,0,2]=4 210 B8R1.1 CC1=CC=C(C=O)S1 AM803182 [0,1,0,0,0,0|1,0,2]=4 211 B8R1.1 CC1=CN=C(C=O)N1 AM20080647 [0,1,0,0,0,0|2,0,1]=4 212 B8R1.1 CC1=CNC(C=O)=C1 AMY17862 [0,1,0,0,0,0|1,0,1]=3 213 B8R1.1 CC1=CSC(C=O)=C1 AM804119 [0,1,0,0,0,0|1,0,1]=3 214 B8R1.1 CC1=CSC(C=O)=N1 AM803186 [0,1,0,0,0,0|2,0,1]=4 215 B8R1.1 CC1=CSC(CN)=C1 AM802868 [0,1,0,0,0,0|2,0,1]=4 216 B8R1.1 CC1=CSC(CO)=C1 AM804307 [0,1,0,0,0,0|1,0,2]=4 217 B8R1.1 CC1=NC(C=O)=CO1 AM20080084 [0,1,0,0,0,0|2,0,1]=4 218 B8R1.1 CC1=NC(C=O)=CS1 AM20090176 [0,1,0,0,0,0|2,0,1]=4 219 B8R1.1 CC1=NC=C(C=O)N1 AM803754 [0,1,0,0,0,0|2,0,1]=4 220 B8R1.1 CC1=NC=C(C=O)S1 AMY18110 [0,1,0,0,0,0|2,0,1]=4 221 B8R1.1 CC1=NN=C(C=O)O1 AMY202100035 [0,1,0,0,0,0|3,0,0]=4 222 B8R1.1 CC1=NNC(C=O)=C1 AM803701 [0,1,0,0,0,0|2,0,0]=3 223 B8R1.1 CC1=NNC(CO)=C1 AMY32726 [0,1,0,0,0,0|2,0,1]=4 224 B8R1.1 CC1=NOC(CBr)=C1 AMY23827 [0,1,0,0,0,0|3,0,0]=4 225 B8R1.1 CC1=NOC(CN)=C1 AMY18673 [0,1,0,0,0,0|3,0,0]=4 226 B8R1.1 CCC1=CC(N)=NN1 AM20090110 [0,1,0,0,0,0|3,0,0]=4 227 B8R1.1 CCC1=CC(N)=NO1 AM806538 [0,1,0,0,0,0|3,0,0]=4 228 B8R1.1 CCC1=NOC(N)=C1 AMY10596 [0,1,0,0,0,0|3,0,0]=4 229 B8R1.1 CC[C@H]1CNC(=O)O1 AM806527 [0,1,0,0,0,0|2,0,1]=4 230 B8R1.1 CN1C=C(C=O)C=N1 AM20090285 [0,1,0,0,0,0|2,0,1]=4 231 B8R1.1 CN1C=NC(C=O)=C1 AMY22924 [0,1,0,0,0,0|2,0,1]=4 232 B8R1.1 CN1CC[C@H](C=O)C1 AM92662 [0,1,0,0,0,0|1,0,2]=4 233 B8R1.1 CNC1=CC(C)=NN1 AM101211 [0,1,0,0,0,0|3,0,0]=4 234 B8R1.1 CNC1=NOC(C)=C1 AM100950 [0,1,0,0,0,0|3,0,0]=4 235 B8R1.1 COC1=CC(=O)NC1 AMY31183 [0,1,0,0,0,0|1,0,0]=2 236 B8R1.1 COC1=CC(N)=NN1 AM20100096 [0,1,0,0,0,0|3,0,0]=4 237 B8R1.1 COC1=CC(N)=NO1 AM20090468 [0,1,0,0,0,0|3,0,0]=4 238 B8R1.1 CSC1=NNC(N)=C1 AMY32091 [0,1,0,0,0,0|3,0,0]=4 239 B8R1.1 NC1=CC(CO)=NN1 AMY9111 [0,1,0,0,0,0|3,0,0]=4 240 B8R1.1 NCC1=CC(Br)=CS1 AMY27187 [0,1,0,0,0,0|2,0,1]=4 241 B8R1.1 NCC1=CC(Br)=CS1 AMY27763 [0,1,0,0,0,0|2,0,1]=4 242 B8R1.1 NC[C@@H]1CCC(=O)N1 AMY21674 [0,1,0,0,0,0|1,0,1]=3 243 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY34438 [0,1,0,0,0,0|1,0,2]=4 244 B8R1.1 NC[C@@H]1CNC(=O)C1 AMY4351 [0,1,0,0,0,0|1,0,2]=4 245 B8R1.1 NC[C@H]1CCC(=O)N1 AMY21633 [0,1,0,0,0,0|1,0,1]=3 246 B8R1.1 NC[C@H]1CNC(=O)C1 AMY34442 [0,1,0,0,0,0|1,0,2]=4 247 B8R1.1 NC[C@H]1CNC(=O)O1 AMY33861 [0,1,0,0,0,0|2,0,1]=4 248 B8R1.1 O=C1C=C(CBr)CO1 AMY20313 [0,1,0,0,0,0|1,0,0]=2 249 B8R1.1 O=C1CC[C@@H](CBr)N1 AMY25044 [0,1,0,0,0,0|1,0,1]=3 250 B8R1.1 O=C1CC[C@H](CO)N1 AM20090035 [0,1,0,0,0,0|1,0,1]=3 251 B8R1.1 O=C1CC[C@H](CO)N1 AM20100613 [0,1,0,0,0,0|1,0,1]=3 252 B8R1.1 O=C1CC[C@H](CO)O1 AM20090484 [0,1,0,0,0,0|1,0,1]=3 253 B8R1.1 O=C1C[C@H](CO)CO1 AM806516 [0,1,0,0,0,0|1,0,2]=4 254 B8R1.1 O=C1NC[C@H](CO)O1 AMY20364 [0,1,0,0,0,0|2,0,1]=4 255 B8R1.1 O=C1NN=C(CCl)N1 AMY21692 [0,1,0,0,0,0|3,0,0]=4 256 B8R1.1 O=C1N[C@@H](CI)CO1 AMY21405 [0,1,0,0,0,0|2,0,1]=4 257 B8R1.1 O=C1N[C@@H](CO)CO1 AMY21700 [0,1,0,0,0,0|2,0,1]=4 258 B8R1.1 O=C1N[C@H](CI)CO1 AMY21406 [0,1,0,0,0,0|2,0,1]=4 259 B8R1.1 O=C1N[C@H](CO)CO1 AMY21777 [0,1,0,0,0,0|2,0,1]=4 260 B8R1.1 O=CC1=CC(Br)=CN1 AMY19096 [0,1,0,0,0,0|2,0,1]=4 261 B8R1.1 O=CC1=CC(Br)=CS1 AMY23272 [0,1,0,0,0,0|2,0,1]=4 262 B8R1.1 O=CC1=CC(I)=CN1 AMY19170 [0,1,0,0,0,0|2,0,1]=4 263 B8R1.1 O=CC1=CNC(Br)=C1 AMY19188 [0,1,0,0,0,0|2,0,1]=4 264 B8R1.1 O=CC1=CSC(Br)=C1 AMY35040 [0,1,0,0,0,0|2,0,1]=4 265 B8R1.1 O=CC1=NNC(Br)=C1 AMY11957 [0,1,0,0,0,0|3,0,0]=4 266 B8R1.1 OCC1=CC(Br)=CS1 AMY4597 [0,1,0,0,0,0|2,0,1]=4 267 B8R1.1 OCC1=CC(Br)=NO1 AM20090315 [0,1,0,0,0,0|3,0,0]=4 268 B8R1.18 CC1=C(Br)SC(Br)=C1 AMY14216 [0,1,0,0,0,0|2,0,1]=4 269 B8R1.18 CC1=CC(=O)O[C@@H]1O AMY11083 [0,1,0,0,0,0|1,0,0]=2 270 B8R1.18 CC1=CC(I)=C(C)S1 AMY5425 [0,1,0,0,0,0|2,0,1]=4 271 B8R1.18 CC1=CC(N)=NN1C AM807020 [0,1,0,0,0,0|3,0,0]=4 272 B8R1.18 CC1=NN(C)C(Br)=C1 AM20100406 [0,1,0,0,0,0|3,0,0]=4 273 B8R1.18 CC1=NN(C)C(Br)=C1 AMY33891 [0,1,0,0,0,0|3,0,0]=4 274 B8R1.18 CC1=NN(C)C(Cl)=C1 AMY12259 [0,1,0,0,0,0|3,0,0]=4 275 B8R1.18 CC1=NN(C)C(N)=C1 AM9887 [0,1,0,0,0,0|3,0,0]=4 276 B8R1.18 CC1=NN(C)C(N)=C1 AM9899 [0,1,0,0,0,0|3,0,0]=4 277 B8R1.18 CC1=NN(C)C(O)=C1 AM20100282 [0,1,0,0,0,0|2,0,1]=4 278 B8R1.18 CN1CC(=O)NC1=N AMY8979 [0,1,0,0,0,0|3,0,0]=4 279 B8R1.18 CN1SC(Cl)=CC1=O AM806586 [0,1,0,0,0,0|3,0,0]=4 280 B8R1.18 C[C@@H]1NC(=O)NC1=O AM20100499 [0,1,0,0,0,0|3,0,0]=4 281 B8R1.18 C[C@@H]1NC(=O)OC1=O AM84795 [0,1,0,0,0,0|3,0,0]=4 282 B8R1.18 C[C@@H]1NC(=S)NC1=O AMY10136 [0,1,0,0,0,0|3,0,0]=4 283 B8R1.18 C[C@H]1CC(=O)N(C)C1 AM86073 [0,1,0,0,0,0|1,0,2]=4 284 B8R1.18 O=C1C=C(Br)C(=O)N1 AMY458 [0,1,0,0,0,0|2,0,1]=4 285 B8R1.18 O=C1C=C(Br)C(=O)O1 AMY844 [0,1,0,0,0,0|2,0,1]=4 286 B8R1.50 CC1=C(Br)C(N)=NN1 AM803373 [0,1,0,0,0,0|3,0,0]=4 287 B8R1.50 CC1=C(C)C(=O)OC1 AM20080413 [0,1,0,0,0,0|1,0,0]=2 288 B8R1.50 CC1=C(C)C(Br)=NO1 AM85960 [0,1,0,0,0,0|3,0,0]=4 289 B8R1.50 CC1=C(C)C(N)=NN1 AMY15212 [0,1,0,0,0,0|3,0,0]=4 290 B8R1.50 CC1=C(C)C(N)=NO1 AM20080299 [0,1,0,0,0,0|3,0,0]=4 291 B8R1.50 CC1=C(C)C(N)=NO1 AMY38138 [0,1,0,0,0,0|3,0,0]=4 292 B8R1.50 CC1=C(I)C(N)=NN1 AMY33260 [0,1,0,0,0,0|3,0,0]=4 293 B8R1.50 CC1=CSC(Br)=C1Br AMY10925 [0,1,0,0,0,0|2,0,1]=4 294 B8R1.50 CC1=CSC(C)=C1Br AMY28879 [0,1,0,0,0,0|2,0,1]=4 295 B8R1.50 CC1=NNC(C)=C1Br AM20090519 [0,1,0,0,0,0|3,0,0]=4 296 B8R1.50 CC1=NNC(C)=C1I AM20090154 [0,1,0,0,0,0|3,0,0]=4 297 B8R1.50 CC1=NNC(C)=C1O AMY32881 [0,1,0,0,0,0|3,0,0]=4 298 B8R1.50 CC1=NNC(Cl)=C1N AMY33916 [0,1,0,0,0,0|3,0,0]=4 299 B8R1.50 CC1=NOC(C)=C1Br AM81393 [0,1,0,0,0,0|3,0,0]=4 300 B8R1.50 CC1=NOC(C)=C1I AM20080002 [0,1,0,0,0,0|3,0,0]=4 301 B8R1.50 CC1=NOC(C)=C1N AMY17783 [0,1,0,0,0,0|3,0,0]=4 302 B8R1.50 CC1=NOC(N)=C1C AMY37010 [0,1,0,0,0,0|3,0,0]=4 303 B8R1.50 CC1C(=O)CCC1=O AM20100124 [0,1,0,0,0,0|1,0,1]=3 304 B8R1.50 CN1C(=O)CCC1=O AMY228 [0,1,0,0,0,0|2,0,0]=3 305 B8R1.50 CN1CCN(C)C1=O AMY25786 [0,1,0,0,0,0|3,0,0]=4 306 B8R1.50 CN1CC[C@H](N)C1=O AMY15163 [0,1,0,0,0,0|2,0,1]=4 307 B8R1.50 C[C@H]1CCN(C)C1=O AM86096 [0,1,0,0,0,0|2,0,1]=4 308 B8R1.50 NN1C(=O)CSC1=S AM84397 [0,1,0,0,0,0|3,0,0]=4 309 B8R1.50 O=C1CCC(=O)N1Br AMY24078 [0,1,0,0,0,0|2,0,0]=3 310 B8R1.50 O=C1CCC(=O)N1Cl AMY31063 [0,1,0,0,0,0|2,0,0]=3 311 B8R1.50 O=C1CCC(=O)N1I AM20100260 [0,1,0,0,0,0|2,0,0]=3 312 B8R1.50 O=C1CCC(=O)N1O AM83849 [0,1,0,0,0,0|2,0,0]=3 313 B8R1.50 O=C1COC(=O)[C@H]1Br AM807274 [0,1,0,0,0,0|2,0,1]=4 314 B8R1.50 O=C1SSC(Cl)=C1Cl AM20080132 [0,1,0,0,0,0|3,0,0]=4 315 B8R1.51 CC1(C)CCC(=O)C1 AMY38476 [0,1,0,0,0,0|0,0,2]=3 316 B8R1.51 CC1(C)CCC(=O)N1 AM1043 [0,1,0,0,0,0|1,0,1]=3 317 B8R1.51 CC1(C)COC(=O)N1 AMY3917 [0,1,0,0,0,0|2,0,1]=4 318 B8R1.51 C[C@H]1CCS(=O)(=O)O1 AMY1253 [0,1,0,0,0,0|2,0,1]=4 319 B8R1.51 O=C1CCC(F)(F)C1 AMY6155 [0,1,0,0,0,0|1,0,2]=4 320 B6R0.1 CC#CC(=O)OC AMY1234 [0,0,1,0,0,0|1,0,2]=4 321 B6R0.1 CCC(=O)CC#N AMY10591 [0,0,1,0,0,0|1,0,2]=4 322 B6R0.1 CCNC(=O)CCl AM802871 [0,0,1,0,0,0|2,0,1]=4 323 B6R0.1 CCNC(=O)NC AM85700 [0,0,1,0,0,0|2,0,1]=4 324 B6R0.1 CCOC(=O)CBr AM20070701 [0,0,1,0,0,0|2,0,1]=4 325 B6R0.1 CCOC(=O)CC AMY21941 [0,0,1,0,0,0|1,0,1]=3 326 B6R0.1 CCOC(=O)CN AM81786 [0,0,1,0,0,0|2,0,1]=4 327 B6R0.1 CCOC(=O)NC AMY3767 [0,0,1,0,0,0|2,0,1]=4 328 B6R0.1 CNCC(=O)OC AM82645 [0,0,1,0,0,0|2,0,1]=4 329 B6R0.1 COC(=O)CSC AMY10908 [0,0,1,0,0,0|2,0,1]=4 330 B6R0.1 COC(=O)\C=C\I AMY21721 [0,0,1,0,0,0|2,0,0]=3 331 B6R0.1 COCC(=O)OC AMY4063 [0,0,1,0,0,0|2,0,1]=4 332 B6R0.1 C\C=C\C(=O)OC AMY15442 [0,0,1,0,0,0|1,0,0]=2 333 B6R0.2 CC(=O)C=C(C)C AMY23356 [0,0,1,0,0,0|0,0,0]=1 334 B6R0.2 CC(=O)CC(C)C AMY11098 [0,0,1,0,0,0|0,0,2]=3 335 B6R0.2 CC(=O)NC(C)C AMY3785 [0,0,1,0,0,0|1,0,1]=3 336 B6R0.2 CC(=O)\C=C(\C)N AMY24718 [0,0,1,0,0,0|1,0,0]=2 337 B6R0.2 CC(=O)\C=C(\C)[O-] AMY11696 [0,0,1,0,0,0|1,0,0]=2 338 B6R0.2 CC(=O)\C=C(\C)[O-] AMY19683 [0,0,1,0,0,0|1,0,0]=2 339 B6R0.2 CC(=O)\C=C(\C)[O-] AMY41912 [0,0,1,0,0,0|1,0,0]=2 340 B6R0.2 CC(C)=CB(O)O AMY021 [0,0,1,0,0,0|2,0,1]=4 341 B6R0.2 CC(C)CC(=O)O AMY40214 [0,0,1,0,0,0|1,0,2]=4 342 B6R0.2 CC(C)OC(=O)Cl AMY3776 [0,0,1,0,0,0|2,0,1]=4 343 B6R0.2 CN(C)CC(=O)O AM20080064 [0,0,1,0,0,0|2,0,1]=4 344 B6R0.2 CN(C)CC(=O)O AM81799 [0,0,1,0,0,0|2,0,1]=4 345 B6R0.2 CN(C)CC(=O)[O-] AMY42162 [0,0,1,0,0,0|2,0,1]=4 346 B6R0.2 CN(C)CC(=O)[O-] AMY42163 [0,0,1,0,0,0|2,0,1]=4 347 B6R0.2 C[S+](C)CC(=O)[O-] AM90363 [0,0,1,0,0,0|2,0,1]=4 348 B6R0.2 O=C(O)C=C(Cl)Cl AMY14156 [0,0,1,0,0,0|3,0,0]=4 349 B6R0.4 C=CCCC(=O)Cl AMY808 [0,0,1,0,0,0|1,0,1]=3 350 B6R0.4 C=CCCC(=O)O AMY12553 [0,0,1,0,0,0|1,0,1]=3 351 B6R0.4 C=CCCC(C)=O AM84335 [0,0,1,0,0,0|0,0,2]=3 352 B6R0.4 C=CCOC(=O)Cl AMY3928 [0,0,1,0,0,0|2,0,1]=4 353 B6R0.4 C=CCOC(C)=O AMY22115 [0,0,1,0,0,0|1,0,2]=4 354 B6R0.4 C=CNCC(=O)O AMY22733 [0,0,1,0,0,0|2,0,1]=4 355 B6R0.4 CCCCC(=O)[O-] AMY026 [0,0,1,0,0,0|1,0,1]=3 356 B6R0.4 CCCOC(=O)Cl AMY3779 [0,0,1,0,0,0|2,0,1]=4 357 B6R0.4 CCOCC(=O)O AMY4062 [0,0,1,0,0,0|2,0,1]=4 358 B6R0.4 CCSCC(=O)O AM20100532 [0,0,1,0,0,0|2,0,1]=4 359 B6R0.4 CNCCC(=O)O AM84855 [0,0,1,0,0,0|2,0,0]=3 360 B6R0.4 COCCC(=O)O AMY2689 [0,0,1,0,0,0|2,0,0]=3 361 B6R0.4 NCCCC(=O)O AM20100372 [0,0,1,0,0,0|2,0,1]=4 362 B6R0.4 NCCCC(N)=O AMY15220 [0,0,1,0,0,0|2,0,1]=4 363 B6R0.4 O=C(Cl)CCCCl AMY25684 [0,0,1,0,0,0|2,0,1]=4 364 B6R0.4 O=C(O)CCCS AM20080221 [0,0,1,0,0,0|2,0,1]=4 365 B6R1.5 CC1CC(=O)C1 AM806996 [0,0,0,0,1,0|0,0,2]=3 366 B6R1.5 NC1CC(=O)C1 AM20070559 [0,0,0,0,1,0|1,0,2]=4 367 B6R1.5 O=C1CC(O)C1 AMY33736 [0,0,0,0,1,0|1,0,2]=4 368 B8R1.3 BrC1=CC=C(I)CC1 AMY34595 [0,0,0,0,0,1|2,0,0]=3 369 B8R1.3 CC1=CC=C(C)N=N1 AMY13381 [0,0,0,0,0,1|3,0,0]=4 370 B8R1.3 CC1=CC=C(F)C=C1 AM86892 [0,0,0,0,0,1|1,0,2]=4 371 B8R1.3 CC1=CC=C(I)C=C1 AM87101 [0,0,0,0,0,1|1,0,2]=4 372 B8R1.3 CC1=CC=C(N)C=C1 AM10491 [0,0,0,0,0,1|1,0,2]=4 373 B8R1.3 CC1=CC=C(N)N=N1 AM20090084 [0,0,0,0,0,1|3,0,0]=4 374 B8R1.3 CC1=CN=C(Br)C=C1 AM20051108 [0,0,0,0,0,1|1,0,2]=4 375 B8R1.3 CC1=CN=C(Br)C=N1 AM20070407 [0,0,0,0,0,1|2,0,1]=4 376 B8R1.3 CC1=CN=C(Br)N=C1 AMY22913 [0,0,0,0,0,1|2,0,1]=4 377 B8R1.3 CC1=CN=C(C)C=N1 AMY23196 [0,0,0,0,0,1|2,0,1]=4 378 B8R1.3 CC1=CN=C(C)N=C1 AMY15639 [0,0,0,0,0,1|2,0,1]=4 379 B8R1.3 CC1=CN=C(Cl)C=C1 AM20070064 [0,0,0,0,0,1|1,0,2]=4 380 B8R1.3 CC1=CN=C(Cl)C=N1 AM804101 [0,0,0,0,0,1|2,0,1]=4 381 B8R1.3 CC1=CN=C(Cl)N=C1 AM20090222 [0,0,0,0,0,1|2,0,1]=4 382 B8R1.3 CC1=CN=C(F)C=C1 AM20070020 [0,0,0,0,0,1|1,0,2]=4 383 B8R1.3 CC1=CN=C(I)C=N1 AMY6390 [0,0,0,0,0,1|2,0,1]=4 384 B8R1.3 CC1=CN=C(N)C=C1 AM20050850 [0,0,0,0,0,1|1,0,2]=4 385 B8R1.3 CC1=CN=C(N)C=N1 AM20070363 [0,0,0,0,0,1|2,0,1]=4 386 B8R1.3 CC1=CN=C(N)C=N1 AM806416 [0,0,0,0,0,1|2,0,1]=4 387 B8R1.3 CC1=CN=C(N)N=C1 AMY10276 [0,0,0,0,0,1|2,0,1]=4 388 B8R1.3 CC1=CN=C(O)C=C1 AM20050596 [0,0,0,0,0,1|0,0,3]=4 389 B8R1.3 CC1=CN=C(O)C=N1 AM84718 [0,0,0,0,0,1|1,0,2]=4 390 B8R1.3 CC1=CN=C(O)N=C1 AM803876 [0,0,0,0,0,1|1,0,2]=4 391 B8R1.3 CC1=CN=C(S)C=C1 AM100423 [0,0,0,0,0,1|0,1,2]=4 392 B8R1.3 CC1=NC=C(Br)C=C1 AM20051092 [0,0,0,0,0,1|1,0,2]=4 393 B8R1.3 CC1=NC=C(Br)C=N1 AM20100771 [0,0,0,0,0,1|2,0,1]=4 394 B8R1.3 CC1=NC=C(Cl)C=C1 AMY6284 [0,0,0,0,0,1|1,0,2]=4 395 B8R1.3 CC1=NC=C(F)C=C1 AM62404 [0,0,0,0,0,1|1,0,2]=4 396 B8R1.3 CC1=NC=C(F)C=N1 AMY106 [0,0,0,0,0,1|2,0,1]=4 397 B8R1.3 CC1=NC=C(I)C=C1 AMY19858 [0,0,0,0,0,1|1,0,2]=4 398 B8R1.3 CC1=NC=C(N)C=C1 AM20051093 [0,0,0,0,0,1|1,0,2]=4 399 B8R1.3 CC1=NC=C(N)C=N1 AM20080652 [0,0,0,0,0,1|2,0,1]=4 400 B8R1.3 CC1=NC=C(O)C=C1 AM20061678 [0,0,0,0,0,1|0,0,3]=4 401 B8R1.3 CC1=NC=C(O)C=N1 AMY10280 [0,0,0,0,0,1|1,0,2]=4 402 B8R1.3 CC1=NN=C(Br)C=C1 AMY24970 [0,0,0,0,0,1|3,0,0]=4 403 B8R1.3 CC1=NN=C(Cl)C=C1 AM20080072 [0,0,0,0,0,1|3,0,0]=4 404 B8R1.3 CC1=NN=C(S)C=C1 AM100985 [0,0,0,0,0,1|2,1,0]=4 405 B8R1.3 CC1=NNC(=O)C=C1 AM20080238 [0,0,0,0,0,1|2,0,0]=3 406 B8R1.3 CC1=NNC(=O)CC1 AMY24896 [0,0,0,0,0,1|1,0,0]=2 407 B8R1.3 CC1CCC(=O)CC1 AMY17977 [0,0,0,0,0,1|0,0,2]=3 408 B8R1.3 CN1CC=C(Br)CC1 AMY5718 [0,0,0,0,0,1|2,0,0]=3 409 B8R1.3 CN1CCC(=O)CC1 AM20080337 [0,0,0,0,0,1|1,0,1]=3 410 B8R1.3 C[C@@H]1C=CC(=O)CC1 AMY6166 [0,0,0,0,0,1|0,0,1]=2 411 B8R1.3 C[C@@H]1CNC(=O)CN1 AMY35752 [0,0,0,0,0,1|1,0,2]=4 412 B8R1.3 C[C@H]1CNC(=O)CN1 AMY35750 [0,0,0,0,0,1|1,0,2]=4 413 B8R1.3 NC1=NNC(=O)C=C1 AMY24949 [0,0,0,0,0,1|3,0,0]=4 414 B8R1.3 NC1CCC(=O)CC1 AM101128 [0,0,0,0,0,1|1,0,2]=4 415 B8R1.3 NC1CCC(=O)CC1 AMY42375 [0,0,0,0,0,1|1,0,2]=4 416 B8R1.3 N[C@@H]1CCC(=O)NC1 AMY31957 [0,0,0,0,0,1|1,0,2]=4 417 B8R1.3 N[C@H]1CCC(=O)NC1 AMY24060 [0,0,0,0,0,1|1,0,2]=4 418 B8R1.3 O=C1C=CC(=O)C=C1 AMY21949 [0,0,0,0,0,1|1,0,2]=4 419 B8R1.3 O=C1C=CC(=O)NN1 AM81137 [0,0,0,0,0,1|3,0,0]=4 420 B8R1.3 O=C1CCC(=O)NC1 AMY24844 [0,0,0,0,0,1|1,0,1]=3 421 B8R1.3 O=C1CCC(F)CC1 AM20070506 [0,0,0,0,0,1|1,0,2]=4 422 B8R1.3 O=C1CCC(O)CC1 AMY17986 [0,0,0,0,0,1|1,0,2]=4 423 B8R1.3 O=C1CC[C@H](O)CN1 AM84823 [0,0,0,0,0,1|1,0,2]=4 424 B8R1.3 O=C1N=CC(I)=CN1 AMY12119 [0,0,0,0,0,1|2,0,1]=4 425 B8R1.4 C=C1CCO[C@@H](C)C1 AMY6013 [0,0,0,0,0,1|1,0,2]=4 426 B8R1.4 CC1=CC(=O)NN=C1 AM20100351 [0,0,0,0,0,1|1,0,1]=3 427 B8R1.4 CC1=CC(Br)=CN=C1 AM20070099 [0,0,0,0,0,1|1,0,2]=4 428 B8R1.4 CC1=CC(Br)=NC=C1 AM20061251 [0,0,0,0,0,1|1,0,2]=4 429 B8R1.4 CC1=CC(Br)=NC=N1 AMY132 [0,0,0,0,0,1|2,0,1]=4 430 B8R1.4 CC1=CC(C)=NC=C1 AM20050655 [0,0,0,0,0,1|1,0,2]=4 431 B8R1.4 CC1=CC(C)=NC=N1 AM20080404 [0,0,0,0,0,1|2,0,1]=4 432 B8R1.4 CC1=CC(Cl)=NC=C1 AM20070056 [0,0,0,0,0,1|1,0,2]=4 433 B8R1.4 CC1=CC(Cl)=NC=N1 AM20090531 [0,0,0,0,0,1|2,0,1]=4 434 B8R1.4 CC1=CC(Cl)=NN=C1 AMY17813 [0,0,0,0,0,1|2,0,1]=4 435 B8R1.4 CC1=CC(F)=CN=C1 AM62408 [0,0,0,0,0,1|1,0,2]=4 436 B8R1.4 CC1=CC(F)=NC=C1 AM20051205 [0,0,0,0,0,1|1,0,2]=4 437 B8R1.4 CC1=CC(I)=NC=C1 AM86774 [0,0,0,0,0,1|1,0,2]=4 438 B8R1.4 CC1=CC(N)=NC=C1 AM20061447 [0,0,0,0,0,1|1,0,2]=4 439 B8R1.4 CC1=CC(N)=NC=N1 AMY1729 [0,0,0,0,0,1|2,0,1]=4 440 B8R1.4 CC1=CC(O)=CN=C1 AM803896 [0,0,0,0,0,1|0,0,3]=4 441 B8R1.4 CC1=CC(O)=NC=C1 AM803166 [0,0,0,0,0,1|0,0,3]=4 442 B8R1.4 CC1=CC(O)=NC=N1 AM20090555 [0,0,0,0,0,1|1,0,2]=4 443 B8R1.4 CC1=CC(S)=NC=C1 AM100424 [0,0,0,0,0,1|0,1,2]=4 444 B8R1.4 CC1=CC=CC(Br)=C1 AMY28276 [0,0,0,0,0,1|1,0,2]=4 445 B8R1.4 CC1=CC=CC(F)=C1 AM86893 [0,0,0,0,0,1|1,0,2]=4 446 B8R1.4 CC1=CC=CC(I)=C1 AMY28282 [0,0,0,0,0,1|1,0,2]=4 447 B8R1.4 CC1=CC=CC(O)=C1 AM62795 [0,0,0,0,0,1|0,0,3]=4 448 B8R1.4 CC1=CC=CC(S)=C1 AM10276 [0,0,0,0,0,1|0,1,2]=4 449 B8R1.4 CC1=CN=CC(C)=C1 AM81286 [0,0,0,0,0,1|1,0,2]=4 450 B8R1.4 CC1=CN=CC(N)=C1 AM20061713 [0,0,0,0,0,1|1,0,2]=4 451 B8R1.4 CC1=CN=NC(N)=C1 AMY24948 [0,0,0,0,0,1|2,0,1]=4 452 B8R1.4 CC1=C[C@H](C)OCC1 AMY6011 [0,0,0,0,0,1|1,0,1]=3 453 B8R1.4 CC1=NC=CC(Br)=C1 AM20050965 [0,0,0,0,0,1|1,0,2]=4 454 B8R1.4 CC1=NC=CC(Cl)=C1 AM20051118 [0,0,0,0,0,1|1,0,2]=4 455 B8R1.4 CC1=NC=CC(F)=C1 AM62455 [0,0,0,0,0,1|1,0,2]=4 456 B8R1.4 CC1=NC=CC(N)=C1 AM20050905 [0,0,0,0,0,1|1,0,2]=4 457 B8R1.4 CC1=NC=CC(O)=C1 AM803417 [0,0,0,0,0,1|0,0,3]=4 458 B8R1.4 CN1CCCC(=O)C1 AM20100357 [0,0,0,0,0,1|1,0,1]=3 459 B8R1.4 CN1CCNC(=O)C1 AMY22966 [0,0,0,0,0,1|1,0,1]=3 460 B8R1.4 C[C@H]1CC(=O)CCN1 AM20080278 [0,0,0,0,0,1|0,0,2]=3 461 B8R1.4 C[C@H]1CC(=O)CCN1 AMY13581 [0,0,0,0,0,1|0,0,2]=3 462 B8R1.4 C[C@H]1CC(=O)CCO1 AMY5961 [0,0,0,0,0,1|0,0,2]=3 463 B8R1.4 C[C@H]1CCCC(=O)N1 AMY16211 [0,0,0,0,0,1|1,0,1]=3 464 B8R1.4 C[C@H]1CNCC(=O)N1 AM804110 [0,0,0,0,0,1|1,0,1]=3 465 B8R1.4 NC1=CC(=O)NN=C1 AMY24969 [0,0,0,0,0,1|2,0,1]=4 466 B8R1.4 N[C@H]1CCNC(=O)C1 AM20100356 [0,0,0,0,0,1|1,0,2]=4 467 B8R1.4 N[C@H]1CCNC(=O)C1 AMY34928 [0,0,0,0,0,1|1,0,2]=4 468 B8R1.4 O=C1C=C(Cl)C=CN1 AM20051167 [0,0,0,0,0,1|1,0,2]=4 469 B8R1.4 O=C1C=C(Cl)C=NN1 AM20100600 [0,0,0,0,0,1|2,0,1]=4 470 B8R1.4 O=C1C=C(I)C=CN1 AMY2049 [0,0,0,0,0,1|1,0,2]=4 471 B8R1.4 O=C1C=C(I)C=NN1 AMY10774 [0,0,0,0,0,1|2,0,1]=4 472 B8R1.4 O=C1C=C(S)NC=N1 AMY15314 [0,0,0,0,0,1|2,0,1]=4 473 B8R1.4 O=C1CCCC(=O)C1 AM20070493 [0,0,0,0,0,1|1,0,1]=3 474 B8R1.4 O=C1CCCC(=O)N1 AMY400 [0,0,0,0,0,1|2,0,0]=3 475 B8R1.4 O=C1CCCC(=O)O1 AM1000009 [0,0,0,0,0,1|2,0,0]=3 476 B8R1.4 O=C1CCNC(=O)C1 AM20100242 [0,0,0,0,0,1|1,0,1]=3 477 B8R1.4 O=C1CNCC(=O)N1 AMY34235 [0,0,0,0,0,1|2,0,0]=3 478 B8R1.4 O=C1C[C@@H](O)CCN1 AMY14353 [0,0,0,0,0,1|1,0,2]=4 479 B8R1.4 O=C1C[C@@H](O)CCN1 AMY9138 [0,0,0,0,0,1|1,0,2]=4 480 B8R1.4 O=C1C[C@H](O)CCN1 AMY41749 [0,0,0,0,0,1|1,0,2]=4 481 B5R0.1 C=C(C)CCBr AMY7022 [1,0,1,0,0,0|1,0,0]=3 482 B5R0.1 C=CCC(C)=O AMY31929 [1,0,1,0,0,0|0,0,2]=4 483 B5R0.1 CC(=O)CCO AMY31061 [1,0,1,0,0,0|1,0,1]=4 484 B5R0.1 CC(=O)\C=N\O AM806560 [1,0,1,0,0,0|2,0,0]=4 485 B5R0.1 CC(C)=CC=O AMY42093 [1,0,1,0,0,0|0,0,0]=2 486 B5R0.1 CC(C)=CCBr AMY21882 [1,0,1,0,0,0|1,0,1]=4 487 B5R0.1 CCCC(=N)N AM802888 [1,0,1,0,0,0|2,0,0]=4 488 B5R0.1 CCCC(=N)N AMY2389 [1,0,1,0,0,0|2,0,0]=4 489 B5R0.1 CCCC(C)=O AMY25524 [1,0,1,0,0,0|0,0,1]=3 490 B5R0.1 CCOC(N)=O AM20100253 [1,0,1,0,0,0|2,0,0]=4 491 B5R0.1 CNCC(=O)O AM20080021 [1,0,1,0,0,0|2,0,0]=4 492 B5R0.1 CNCC(C)=O AM806508 [1,0,1,0,0,0|1,0,1]=4 493 B5R0.1 CNCC(N)=O AM82642 [1,0,1,0,0,0|2,0,0]=4 494 B5R0.1 COCC(=O)Cl AMY40728 [1,0,1,0,0,0|2,0,0]=4 495 B5R0.1 COCC(=O)O AMY4059 [1,0,1,0,0,0|2,0,0]=4 496 B5R0.1 CSCC(N)=O AMY10906 [1,0,1,0,0,0|2,0,0]=4 497 B5R0.1 C\C=C\C(=O)O AMY11255 [1,0,1,0,0,0|1,0,0]=3 498 B5R0.1 C\C=C\C(C)=O AMY31928 [1,0,1,0,0,0|0,0,0]=2 499 B5R0.1 C\C=C\[N+](=O)[O-] AMY23936 [1,0,1,0,0,0|2,0,0]=4 500 B5R0.1 NCCC(=O)O AM20080020 [1,0,1,0,0,0|2,0,0]=4 501 B5R0.1 NCCC(=O)O AMY22128 [1,0,1,0,0,0|2,0,0]=4 502 B5R0.1 NCCC(N)=O AM20100576 [1,0,1,0,0,0|2,0,0]=4 503 B5R0.1 NCCC(N)=O AMY6958 [1,0,1,0,0,0|2,0,0]=4 504 B5R0.1 O=C(Cl)CCBr AM90184 [1,0,1,0,0,0|2,0,0]=4 505 B5R0.1 O=C(O)CCBr AM20100434 [1,0,1,0,0,0|2,0,0]=4 506 B5R0.1 O=C(O)CCF AM803932 [1,0,1,0,0,0|2,0,0]=4 507 B5R0.1 O=C(O)CCO AM85796 [1,0,1,0,0,0|2,0,0]=4 508 B5R0.1 O=C(O)CCS AMY27767 [1,0,1,0,0,0|2,0,0]=4 509 B5R0.1 O=C(O)\C=C/I AMY22685 [1,0,1,0,0,0|2,0,0]=4 510 B5R0.1 O=C(O)\C=C\I AM806037 [1,0,1,0,0,0|2,0,0]=4 511 B5R0.2 C=CCCC=C AMY18716 [1,0,1,0,0,0|0,0,1]=3 512 B5R0.2 C=CCCC=C AMY19739 [1,0,1,0,0,0|0,0,1]=3 513 B5R0.2 C=CCCCBr AM20080066 [1,0,1,0,0,0|1,0,1]=4 514 B5R0.2 C=CCCCO AMY41353 [1,0,1,0,0,0|0,0,2]=4 515 B5R0.2 C=CCNC=O AMY24779 [1,0,1,0,0,0|1,0,0]=3 516 B5R0.2 CCO\C=C/Br AM806384 [1,0,1,0,0,0|2,0,0]=4 517 B5R0.2 N#CCCC=O AMY9205 [1,0,1,0,0,0|1,0,1]=4 518 B5R0.2 O=CCCC=O AMY18777 [1,0,1,0,0,0|1,0,0]=3 519 B5R0.3 C=CC(=O)CBr AMY31126 [1,0,1,0,0,0|1,0,0]=3 520 B5R0.3 C=C[C@@H](O)CC AMY851 [1,0,1,0,0,0|0,0,2]=4 521 B5R0.3 CCC(=O)CC AMY11060 [1,0,1,0,0,0|0,0,1]=3 522 B5R0.3 CCC(=O)OC AMY21940 [1,0,1,0,0,0|1,0,0]=3 523 B5R0.3 CC\C(C)=N\O AM90385 [1,0,1,0,0,0|1,0,1]=4 524 B5R0.3 COC(=O)C=O AMY1633 [1,0,1,0,0,0|2,0,0]=4 525 B5R0.3 COC(=O)CF AM20100155 [1,0,1,0,0,0|2,0,0]=4 526 B5R0.3 COC(=O)CN AM81785 [1,0,1,0,0,0|2,0,0]=4 527 B5R0.3 COC(=O)OC AMY37165 [1,0,1,0,0,0|2,0,0]=4 528 B5R1.1 C1=CCNC1 AM20100570 [2,0,0,0,0,0|1,0,1]=4 529 B5R1.1 C1=CCNC1 AM9928 [2,0,0,0,0,0|1,0,1]=4 530 B5R1.1 C1=CCOC1 AM81814 [2,0,0,0,0,0|1,0,1]=4 531 B5R1.1 C1=CNC=C1 AMY40221 [2,0,0,0,0,0|1,0,1]=4 532 B5R1.1 C1=CNCC1 AMY6075 [2,0,0,0,0,0|1,0,0]=3 533 B5R1.1 C1=CNN=C1 AMY795 [2,0,0,0,0,0|2,0,0]=4 534 B5R1.1 C1=CON=C1 AM81392 [2,0,0,0,0,0|2,0,0]=4 535 B5R1.1 C1=CSN=C1 AMY42108 [2,0,0,0,0,0|2,0,0]=4 536 B7R0.2 C=CC(=O)C=C(C)C AM806643 [0,1,1,0,0,0|0,0,2]=4 537 B7R0.2 CCC(=O)CC(=O)O AM85448 [0,1,1,0,0,0|1,0,1]=4 538 B7R0.2 CCC(=O)CC(=O)[O-] AM88443 [0,1,1,0,0,0|1,0,1]=4 539 B7R0.2 CCC(=O)CC(C)=O AMY2701 [0,1,1,0,0,0|0,0,1]=3 540 B7R0.2 CC[C@H](C)NC(N)=O AMY7838 [0,1,1,0,0,0|1,0,1]=4 541 B7R0.2 COC(=O)\C=C(\C)F AMY36917 [0,1,1,0,0,0|1,0,0]=3 542 B7R0.2 COC(=O)\C=C(\C)N AM20080319 [0,1,1,0,0,0|1,0,0]=3 543 B7R0.3 CCCOC(=O)CC AMY21939 [0,1,1,0,0,0|0,0,2]=4 544 B7R0.3 COC(=O)\C=C\C#N AMY6967 [0,1,1,0,0,0|1,0,1]=4 545 B7R0.3 COC(=O)\C=C\CBr AMY14793 [0,1,1,0,0,0|1,0,0]=3 546 B7R0.3 CO\C=C\C(=O)OC AMY18381 [0,1,1,0,0,0|1,0,0]=3 547 B7R0.5 CCOC(=O)[C@H](C)Br AM20100315 [0,1,1,0,0,0|1,0,1]=4 548 B7R0.5 CCOC(=O)[C@H](C)Cl AMY4005 [0,1,1,0,0,0|1,0,1]=4 549 B7R0.5 CCOC(=O)[C@H](C)N AM20100508 [0,1,1,0,0,0|1,0,1]=4 550 B7R0.5 CCOC(=O)[C@H](C)N AM81486 [0,1,1,0,0,0|1,0,1]=4 551 B7R0.5 CCOC(=O)[C@H](C)N AM81487 [0,1,1,0,0,0|1,0,1]=4 552 B7R0.7 C=CCC(=O)OCC AMY30553 [0,1,1,0,0,0|0,0,2]=4 553 B7R0.7 CC#CC(=O)OCC AM86969 [0,1,1,0,0,0|0,0,2]=4 554 B7R0.7 CCCC(=O)CCC AMY3807 [0,1,1,0,0,0|0,0,2]=4 555 B7R0.7 CCNC(=O)NCC AMY25735 [0,1,1,0,0,0|1,0,1]=4 556 B7R0.7 CCOC(=O)CC=O AMY18659 [0,1,1,0,0,0|1,0,1]=4 557 B7R0.7 CCOC(=O)CCN AM803889 [0,1,1,0,0,0|1,0,1]=4 558 B7R0.7 CCOC(=O)CCO AMY20483 [0,1,1,0,0,0|1,0,1]=4 559 B7R0.7 CCOC(=O)CNC AM82644 [0,1,1,0,0,0|1,0,1]=4 560 B7R0.7 CCOC(=O)CNC AMY3815 [0,1,1,0,0,0|1,0,1]=4 561 B7R0.7 CCOC(=O)COC AMY3969 [0,1,1,0,0,0|1,0,1]=4 562 B7R0.7 CCOC(=O)CSC AMY33462 [0,1,1,0,0,0|1,0,1]=4 563 B7R0.7 CCOC(=O)OCC AMY11101 [0,1,1,0,0,0|1,0,1]=4 564 B7R0.7 CCOC(=O)\C=C/N AM87196 [0,1,1,0,0,0|1,0,0]=3 565 B7R0.7 CCOC(=O)\C=C\I AM805822 [0,1,1,0,0,0|1,0,0]=3 566 B7R0.7 CCOC(=O)\C=C\[O-] AMY34242 [0,1,1,0,0,0|1,0,0]=3 567 B7R0.10 CCC(=O)N(C)OC AM90011 [0,1,1,0,0,0|2,0,0]=4 568 B7R0.10 COC(=O)C(=O)CBr AMY30900 [0,1,1,0,0,0|2,0,0]=4 569 B7R0.10 COC(=O)C(=O)OC AMY37133 [0,1,1,0,0,0|2,0,0]=4 570 B7R0.9 CC(=O)N[Si](C)(C)C AMY42260 [0,1,1,0,0,0|1,1,0]=4 571 B7R0.9 CC(=O)OC(C)(C)C AMY11033 [0,1,1,0,0,0|1,0,1]=4 572 B7R0.16 C=C(C)C(=O)N(C)C AM85878 [0,1,1,0,0,0|2,0,0]=4 573 B7R0.16 CC(=O)C(Cl)C(C)=O AMY3866 [0,1,1,0,0,0|1,0,1]=4 574 B7R0.16 CC(=O)N(C)C(C)=O AM20080061 [0,1,1,0,0,0|2,0,0]=4 575 B7R0.16 CC(C)=C(Br)N(C)C AMY39897 [0,1,1,0,0,0|2,0,0]=4 576 B7R0.16 CC(C)C(=O)C(=O)[O-] AMY37099 [0,1,1,0,0,0|1,0,1]=4 577 B7R0.16 CN(C)C(=O)C(=O)O AM20090487 [0,1,1,0,0,0|2,0,0]=4 578 B7R0.4 C=CCCCC(=O)O AMY759 [0,1,1,0,0,0|1,0,1]=4 579 B7R0.4 C=CCNCC(=O)O AMY22559 [0,1,1,0,0,0|1,0,1]=4 580 B7R0.4 CC(=O)CCCCCl AM90172 [0,1,1,0,0,0|0,0,2]=4 581 B7R0.4 CCCCOC(C)=O AMY11075 [0,1,1,0,0,0|0,0,2]=4 582 B7R0.4 CCCOCC(=O)O AMY4018 [0,1,1,0,0,0|1,0,1]=4 583 B7R0.4 CNCCCC(=O)O AMY5046 [0,1,1,0,0,0|1,0,1]=4 584 B7R0.4 CNCCOC(C)=O AMY15057 [0,1,1,0,0,0|1,0,1]=4 585 B7R0.4 NCCCCC(=O)O AM82459 [0,1,1,0,0,0|1,0,1]=4 586 B7R0.4 NCCCCC(=O)O AMY39227 [0,1,1,0,0,0|1,0,1]=4 587 B7R0.4 O=C(Cl)CCCCBr AM85775 [0,1,1,0,0,0|1,0,1]=4 588 B7R0.4 O=C(Cl)CCCCCl AMY12305 [0,1,1,0,0,0|1,0,1]=4 589 B7R0.4 O=C(O)CCCCBr AM85660 [0,1,1,0,0,0|1,0,1]=4 590 B7R0.4 O=C(O)CCCCCl AMY40897 [0,1,1,0,0,0|1,0,1]=4 591 B7R0.6 CC(=O)CCC(=O)O AM20080171 [0,1,1,0,0,0|1,0,0]=3 592 B7R0.6 CC(=O)CCC(C)=O AMY25528 [0,1,1,0,0,0|0,0,1]=3 593 B7R0.6 CC(=O)CNC(C)=O AMY32031 [0,1,1,0,0,0|1,0,1]=4 594 B7R0.6 CC(=O)NCC(=O)O AM81782 [0,1,1,0,0,0|2,0,0]=4 595 B7R0.6 CC(=O)OCC(=O)Cl AMY39424 [0,1,1,0,0,0|2,0,0]=4 596 B7R0.6 CC(=O)OCC(=O)O AMY3826 [0,1,1,0,0,0|2,0,0]=4 597 B7R0.6 CC(C)CCC(=O)Cl AMY33518 [0,1,1,0,0,0|0,0,2]=4 598 B7R0.6 CN(C)CCC(=O)O AM86616 [0,1,1,0,0,0|1,0,1]=4 599 B7R0.6 O=C(Cl)CCC(=O)Cl AMY4013 [0,1,1,0,0,0|2,0,0]=4 600 B7R1.1 BrCC1=CC=CS1 AMY22870 [1,1,0,0,0,0|1,0,1]=4 601 B7R1.1 BrCC1=CC=NO1 AM804245 [1,1,0,0,0,0|2,0,0]=4 602 B7R1.1 BrCC1=CSC=C1 AM100695 [1,1,0,0,0,0|1,0,1]=4 603 B7R1.1 BrCC1=NOC=C1 AM804339 [1,1,0,0,0,0|2,0,0]=4 604 B7R1.1 CCC1=CC=CS1 AM20110253 [1,1,0,0,0,0|1,0,1]=4 605 B7R1.1 CNC1=NNC=C1 AM806557 [1,1,0,0,0,0|2,0,0]=4 606 B7R1.1 CNC1=NOC=C1 AM806468 [1,1,0,0,0,0|2,0,0]=4 607 B7R1.1 CNC1=NOC=C1 AM806552 [1,1,0,0,0,0|2,0,0]=4 608 B7R1.1 COC1=CC=CS1 AMY23227 [1,1,0,0,0,0|1,0,1]=4 609 B7R1.1 COC1=CSC=C1 AMY23252 [1,1,0,0,0,0|1,0,1]=4 610 B7R1.1 COC1=NNC=C1 AMY5035 [1,1,0,0,0,0|2,0,0]=4 611 B7R1.1 ClCC1=CC=CO1 AMY26896 [1,1,0,0,0,0|1,0,1]=4 612 B7R1.1 ClCC1=CC=CS1 AM20100753 [1,1,0,0,0,0|1,0,1]=4 613 B7R1.1 ClCC1=CSC=C1 AM100610 [1,1,0,0,0,0|1,0,1]=4 614 B7R1.1 ClCC1=NNC=C1 AMY9070 [1,1,0,0,0,0|2,0,0]=4 615 B7R1.1 ClCN1C=NCC1 AMY24330 [1,1,0,0,0,0|2,0,0]=4 616 B7R1.1 NCC1=CC=CN1 AMY19157 [1,1,0,0,0,0|1,0,1]=4 617 B7R1.1 NCC1=CC=CS1 AM803624 [1,1,0,0,0,0|1,0,1]=4 618 B7R1.1 NCC1=CC=NO1 AM20120499 [1,1,0,0,0,0|2,0,0]=4 619 B7R1.1 NCC1=NNC=C1 AM20090607 [1,1,0,0,0,0|2,0,0]=4 620 B7R1.1 NCC1=NNC=C1 AMY36478 [1,1,0,0,0,0|2,0,0]=4 621 B7R1.1 NCC1=NOC=C1 AM20080222 [1,1,0,0,0,0|2,0,0]=4 622 B7R1.1 O=CC1=CC=CN1 AM20070639 [1,1,0,0,0,0|1,0,1]=4 623 B7R1.1 O=CC1=CC=CO1 AM81812 [1,1,0,0,0,0|1,0,1]=4 624 B7R1.1 O=CC1=CC=CS1 AM20120394 [1,1,0,0,0,0|1,0,1]=4 625 B7R1.1 O=CC1=CC=NN1 AMY11891 [1,1,0,0,0,0|2,0,0]=4 626 B7R1.1 O=CC1=CC=NO1 AMY41963 [1,1,0,0,0,0|2,0,0]=4 627 B7R1.1 O=CC1=CC=NS1 AMY42117 [1,1,0,0,0,0|2,0,0]=4 628 B7R1.1 O=CC1=CCC=C1 AMY14685 [1,1,0,0,0,0|0,0,1]=3 629 B7R1.1 O=CC1=CCCC1 AMY30885 [1,1,0,0,0,0|0,0,1]=3 630 B7R1.1 O=CC1=CNC=C1 AM20100673 [1,1,0,0,0,0|1,0,1]=4 631 B7R1.1 O=CC1=COC=C1 AM85794 [1,1,0,0,0,0|1,0,1]=4 632 B7R1.1 O=CC1=CSC=C1 AM20100214 [1,1,0,0,0,0|1,0,1]=4 633 B7R1.1 O=CC1=NNC=C1 AM20100032 [1,1,0,0,0,0|2,0,0]=4 634 B7R1.1 O=CC1=NOC=C1 AM804505 [1,1,0,0,0,0|2,0,0]=4 635 B7R1.1 OCC1=CC=CN1 AMY19087 [1,1,0,0,0,0|1,0,1]=4 636 B7R1.1 OCC1=CC=CO1 AM81811 [1,1,0,0,0,0|1,0,1]=4 637 B7R1.1 OCC1=CC=CS1 AM804174 [1,1,0,0,0,0|1,0,1]=4 638 B7R1.1 OCC1=CC=NO1 AM20120507 [1,1,0,0,0,0|2,0,0]=4 639 B7R1.1 OCC1=COC=C1 AM85772 [1,1,0,0,0,0|1,0,1]=4 640 B7R1.1 OCC1=CSC=C1 AMY17815 [1,1,0,0,0,0|1,0,1]=4 641 B7R1.1 OCC1=NNC=C1 AM20090254 [1,1,0,0,0,0|2,0,0]=4 642 B7R1.1 OCC1=NNC=C1 AMY29121 [1,1,0,0,0,0|2,0,0]=4 643 B7R1.1 OCC1=NOC=C1 AMY37652 [1,1,0,0,0,0|2,0,0]=4 644 B7R1.4 C=C1CCOC1=O AMY7315 [1,1,0,0,0,0|1,0,1]=4 645 B7R1.4 CC1=C(Br)C=CS1 AM20090416 [1,1,0,0,0,0|1,0,1]=4 646 B7R1.4 CC1=C(Br)SC=C1 AM20080325 [1,1,0,0,0,0|1,0,1]=4 647 B7R1.4 CC1=C(Cl)SC=C1 AMY23212 [1,1,0,0,0,0|1,0,1]=4 648 B7R1.4 CC1=C(I)C=NO1 AMY24812 [1,1,0,0,0,0|2,0,0]=4 649 B7R1.4 CC1=C(S)C=CS1 AMY10940 [1,1,0,0,0,0|1,0,1]=4 650 B7R1.4 CC1=CC=CN1C AMY19099 [1,1,0,0,0,0|1,0,1]=4 651 B7R1.4 CC1=CC=NN1C AMY18830 [1,1,0,0,0,0|2,0,0]=4 652 B7R1.4 CC1=CNC=C1C AMY33665 [1,1,0,0,0,0|1,0,1]=4 653 B7R1.4 CC1=CSC=C1Br AMY10901 [1,1,0,0,0,0|1,0,1]=4 654 B7R1.4 CC1=CSC=C1C AMY10944 [1,1,0,0,0,0|1,0,1]=4 655 B7R1.4 CC1=CSC=C1N AMY34988 [1,1,0,0,0,0|1,0,1]=4 656 B7R1.4 CC1=NNC=C1Br AM20080282 [1,1,0,0,0,0|2,0,0]=4 657 B7R1.4 CC1=NNC=C1I AM807434 [1,1,0,0,0,0|2,0,0]=4 658 B7R1.4 CC1=NNC=C1N AMY30999 [1,1,0,0,0,0|2,0,0]=4 659 B7R1.4 CC1=NOC=C1Br AM20210014 [1,1,0,0,0,0|2,0,0]=4 660 B7R1.4 CC1=NOC=C1N AM80998 [1,1,0,0,0,0|2,0,0]=4 661 B7R1.4 CN1CCCC1=O AM20110252 [1,1,0,0,0,0|1,0,1]=4 662 B7R1.4 CN1CCSC1=S AM84657 [1,1,0,0,0,0|2,0,0]=4 663 B7R1.4 CN1NC=CC1=O AMY11909 [1,1,0,0,0,0|2,0,0]=4 664 B7R1.4 CN1SC=CC1=O AM84857 [1,1,0,0,0,0|2,0,0]=4 665 B7R1.4 CN1SC=CC1=O AMY38474 [1,1,0,0,0,0|2,0,0]=4 666 B7R1.4 C[C@@H]1SCCC1=O AMY23233 [1,1,0,0,0,0|1,0,1]=4 667 B7R1.4 C[C@H]1CCCC1=O AM84338 [1,1,0,0,0,0|0,0,2]=4 668 B7R1.4 C[C@H]1CCOC1=O AM20090007 [1,1,0,0,0,0|1,0,1]=4 669 B7R1.4 NN1CCCC1=O AM84704 [1,1,0,0,0,0|1,0,1]=4 670 B7R1.4 N[C@@H]1CCOC1=O AMY22572 [1,1,0,0,0,0|1,0,1]=4 671 B7R1.4 N[C@H]1CCNC1=O AM20130022 [1,1,0,0,0,0|1,0,1]=4 672 B7R1.4 N[C@H]1CCNC1=O AMY15667 [1,1,0,0,0,0|1,0,1]=4 673 B7R1.4 N[C@H]1CCOC1=O AM20090203 [1,1,0,0,0,0|1,0,1]=4 674 B7R1.4 N[C@H]1CCOC1=O AMY21622 [1,1,0,0,0,0|1,0,1]=4 675 B7R1.4 N[C@H]1CCSC1=O AMY25724 [1,1,0,0,0,0|1,0,1]=4 676 B7R1.4 N[C@H]1CONC1=O AM20100628 [1,1,0,0,0,0|2,0,0]=4 677 B7R1.4 O=C1CCCC1=O AMY23435 [1,1,0,0,0,0|0,0,1]=3 678 B7R1.4 O=C1CCC[C@@H]1Br AM20090204 [1,1,0,0,0,0|0,0,2]=4 679 B7R1.4 O=C1NCC[C@@H]1O AM20080386 [1,1,0,0,0,0|1,0,1]=4 680 B7R1.4 O=C1NCC[C@@H]1O AM20090532 [1,1,0,0,0,0|1,0,1]=4 681 B7R1.4 O=C1NCC[C@H]1O AMY14450 [1,1,0,0,0,0|1,0,1]=4 682 B7R1.4 O=C1OCC[C@@H]1Br AM20100243 [1,1,0,0,0,0|1,0,1]=4 683 B7R1.14 O=S1(=O)C=CCO1 AMY28660 [1,1,0,0,0,0|2,0,0]=4 684 B7R1.14 O=S1(=O)CCC=N1 AMY34126 [1,1,0,0,0,0|2,0,0]=4 685 B7R1.17 O=C1CCC1(F)F AMY42507 [0,1,0,0,1,0|1,0,1]=4 686 B7R1.10 O=C1CC(CBr)C1 AM85778 [0,1,0,0,1,0|0,0,2]=4 687 B7R1.10 O=C1CC(CF)C1 AM84266 [0,1,0,0,1,0|0,0,2]=4 688 B7R1.10 O=C1CC(CO)C1 AM20070600 [0,1,0,0,1,0|0,0,2]=4 689 B9R1.1 CC1=CN=C(C=O)C=C1 AM20061809 [0,1,0,0,0,1|0,0,2]=4 690 B9R1.1 CC1=CN=C(C=O)C=N1 AMY15960 [0,1,0,0,0,1|1,0,1]=4 691 B9R1.1 CC1=NC=C(C=O)C=C1 AM20061285 [0,1,0,0,0,1|0,0,2]=4 692 B9R1.1 CC1=NC=C(C=O)C=N1 AM20120311 [0,1,0,0,0,1|1,0,1]=4 693 B9R1.1 CCN1CCC(=O)CC1 AMY5271 [0,1,0,0,0,1|1,0,1]=4 694 B9R1.1 CNC1CCC(=O)CC1 AMY202100013 [0,1,0,0,0,1|0,0,2]=4 695 B9R1.1 COC1=CC[C@@H](O)CC1 AMY23663 [0,1,0,0,0,1|0,0,2]=4 696 B9R1.1 COC1CCC(=O)CC1 AMY3589 [0,1,0,0,0,1|0,0,2]=4 697 B9R1.1 NC[C@H]1CCC(=O)NC1 AMY33863 [0,1,0,0,0,1|0,0,2]=4 698 B9R1.1 O=C1CCC(CO)CC1 AMY9066 [0,1,0,0,0,1|0,0,2]=4 699 B9R1.10 CC1(C)C=CC(=O)CC1 AM84327 [0,1,0,0,0,1|0,0,1]=3 700 B9R1.10 CC1(C)CCC(=O)CC1 AMY1271 [0,1,0,0,0,1|0,0,2]=4 701 B9R1.10 CC1(O)CCC(=O)CC1 AMY202100039 [0,1,0,0,0,1|0,0,2]=4 702 B9R1.10 C[N+]1(C)CCC(=O)CC1 AM20090330 [0,1,0,0,0,1|1,0,1]=4 703 B9R1.69 CC1=CNC(=O)N=C1N AM81335 [0,1,0,0,0,1|1,0,1]=4 704 B9R1.69 CC1=CNC(=O)N=C1N AM81336 [0,1,0,0,0,1|1,0,1]=4 705 B9R1.69 CC1=CNC(=O)NC1=O AM81332 [0,1,0,0,0,1|1,0,1]=4 706 B9R1.69 CC1=NNC(=O)C(N)=C1 AMY34927 [0,1,0,0,0,1|2,0,0]=4 707 B9R1.69 CN1CCC(=O)CC1=O AMY20080 [0,1,0,0,0,1|1,0,0]=3 708 B9R1.69 C[C@H]1CN(C)CCC1=O AM20120623 [0,1,0,0,0,1|1,0,1]=4 709 B9R1.69 N[C@H]1CCC(=O)NC1=O AM20090686 [0,1,0,0,0,1|1,0,1]=4 710 B9R1.69 N[C@H]1CCC(=O)NC1=O AM84858 [0,1,0,0,0,1|1,0,1]=4 711 B9R1.69 O=C1CC[C@H](Br)C(=O)N1 AMY27374 [0,1,0,0,0,1|1,0,1]=4 712 B9R1.2 CC1=CC(C=O)=CN=C1 AMY30542 [0,1,0,0,0,1|0,0,2]=4 713 B9R1.2 CC1=CC(C=O)=NC=C1 AM804013 [0,1,0,0,0,1|0,0,2]=4 714 B9R1.2 CC1=NC=CC(C=O)=C1 AM804183 [0,1,0,0,0,1|0,0,2]=4 715 B9R1.2 COC1=CC(=O)NC=C1 AM20061282 [0,1,0,0,0,1|0,0,2]=4 716 B9R1.2 COC1=CC(=O)NN=C1 AMY25001 [0,1,0,0,0,1|1,0,1]=4 717 B9R1.2 NCC1=CC(=O)NC=C1 AMY33767 [0,1,0,0,0,1|0,0,2]=4 718 B9R1.2 NC[C@H]1CCNC(=O)C1 AM803060 [0,1,0,0,0,1|0,0,2]=4 719 B9R1.2 O=C1C=C(CO)C=CN1 AM20050749 [0,1,0,0,0,1|0,0,2]=4 720 B9R1.2 O=C1CCC[C@@H](CO)N1 AMY16344 [0,1,0,0,0,1|1,0,1]=4 721 B9R1.2 O=C1CCC[C@H](CO)C1 AMY18909 [0,1,0,0,0,1|0,0,2]=4 722 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16343 [0,1,0,0,0,1|1,0,1]=4 723 B9R1.2 O=C1CCC[C@H](CO)N1 AMY16345 [0,1,0,0,0,1|1,0,1]=4 724 B9R1.2 O=C1COC[C@H](CO)N1 AMY21702 [0,1,0,0,0,1|1,0,1]=4 725 B9R1.3 CC1=C(C)C(=O)NC=C1 AMY33077 [0,1,0,0,0,1|0,0,2]=4 726 B9R1.3 CC1=C(O)C(=O)C=CO1 AM20080119 [0,1,0,0,0,1|0,0,2]=4 727 B9R1.3 CC1C(=O)CCCC1=O AMY18839 [0,1,0,0,0,1|1,0,1]=4 728 B9R1.3 CC1OCCC(=O)C1C AMY6076 [0,1,0,0,0,1|0,0,2]=4 729 B9R1.3 CN1C(=O)CCCC1=O AMY15075 [0,1,0,0,0,1|2,0,0]=4 730 B9R1.3 O=C1CCCC(=O)C1Br AM804114 [0,1,0,0,0,1|1,0,1]=4 731 B9R1.3 O=C1CCCC(O)=C1F AMY34748 [0,1,0,0,0,1|1,0,0]=3 732 B9R1.34 CC1=CC(=O)C=C(C)O1 AM20070646 [0,1,0,0,0,1|0,0,2]=4 733 B9R1.34 CC1=CC(=O)NC(=O)N1 AM81337 [0,1,0,0,0,1|1,0,1]=4 734 B9R1.34 CC1=CC(=O)NC(C)=N1 AM20100603 [0,1,0,0,0,1|1,0,1]=4 735 B9R1.34 CC1=CC(=O)NC(O)=C1 AMY10398 [0,1,0,0,0,1|0,0,2]=4 736 B9R1.34 CC1CC(=O)CC(=O)C1 AMY3042 [0,1,0,0,0,1|0,0,2]=4 737 B9R1.34 CC1CC(=O)OC(=O)C1 AMY3983 [0,1,0,0,0,1|2,0,0]=4 738 B9R1.34 C[C@H]1CC(=O)C[C@@H](C)O1 AMY35788 [0,1,0,0,0,1|0,0,2]=4 739 B9R1.66 CC1(C)CC(=O)CCO1 AM20080139 [0,1,0,0,0,1|0,0,2]=4 740 B9R1.66 CC1(C)CCCC(=O)C1 AM84905 [0,1,0,0,0,1|0,0,2]=4 741 B9R1.66 CC1(C)CCNC(=O)C1 AM90109 [0,1,0,0,0,1|0,0,2]=4 742 B9R1.66 C[C@]1(O)CCOC(=O)C1 AMY10735 [0,1,0,0,0,1|0,0,2]=4 743 B9R1.21 O=CC1=CC(CO)=CO1 AMY41823 [0,2,0,0,0,0|1,0,1]=4 744 B9R1.22 CC1=NN(C)C(C=O)=C1 AMY11412 [0,2,0,0,0,0|2,0,0]=4 745 B9R1.22 CN1CC(=O)[C@@H](C#N)C1 AM101367 [0,2,0,0,0,0|1,0,1]=4 746 B9R1.22 COC1=CC(=O)NC1=O AMY462 [0,2,0,0,0,0|1,0,1]=4 747 B9R1.22 O=C1C[C@H](O)[C@@H](CO)O1 AMY34444 [0,2,0,0,0,0|1,0,1]=4 748 B9R1.23 CC1=C(Br)SC(C=O)=C1 AM90071 [0,2,0,0,0,0|1,0,1]=4 749 B9R1.23 CC1=CC(C=O)=NN1C AM85680 [0,2,0,0,0,0|2,0,0]=4 750 B9R1.35 CC(=O)C1=CC(C)=NO1 AMY9354 [0,2,0,0,0,0|2,0,0]=4 751 B9R1.35 CC(=O)C1=NOC(C)=C1 AM803572 [0,2,0,0,0,0|2,0,0]=4 752 B9R1.35 CC(=O)N1CCC(=O)C1 AM100682 [0,2,0,0,0,0|1,0,1]=4 753 B9R1.35 CC1=CC(C(=O)Cl)=NO1 AMY13358 [0,2,0,0,0,0|2,0,0]=4 754 B9R1.35 CC1=CC(C(=O)O)=CO1 AMY19573 [0,2,0,0,0,0|1,0,1]=4 755 B9R1.35 CC1=CC(C(=O)O)=NN1 AM20100068 [0,2,0,0,0,0|2,0,0]=4 756 B9R1.35 CC1=CC(C(=O)O)=NO1 AM20090521 [0,2,0,0,0,0|2,0,0]=4 757 B9R1.35 CC1=CC([N+](=O)[O-])=NN1 AM86063 [0,2,0,0,0,0|2,0,0]=4 758 B9R1.35 CC1=CNC(C(=O)O)=C1 AMY14426 [0,2,0,0,0,0|1,0,1]=4 759 B9R1.35 CC1=CSC(C(=O)O)=C1 AM803213 [0,2,0,0,0,0|1,0,1]=4 760 B9R1.35 CC1=NNC(C(=O)O)=C1 AM804242 [0,2,0,0,0,0|2,0,0]=4 761 B9R1.35 CC1=NOC(C(=O)O)=C1 AM20100200 [0,2,0,0,0,0|2,0,0]=4 762 B9R1.35 O=C1C=C(C(=O)O)CC1 AMY36569 [0,2,0,0,0,0|0,0,1]=3 763 B9R1.132 CC1=CNC(C=O)=C1C AMY33666 [0,2,0,0,0,0|1,0,1]=4 764 B9R1.132 CCC1=C(O)C(=O)CC1 AM84771 [0,2,0,0,0,0|0,0,0]=2 765 B9R1.37 CC1=C(C)C(=O)OC1=O AMY13349 [0,2,0,0,0,0|1,0,1]=4 766 B9R1.37 CN1C(=O)C[C@@H](O)C1=O AMY30561 [0,2,0,0,0,0|2,0,0]=4 767 B9R1.37 CN1C(=O)C[C@H](N)C1=O AMY34809 [0,2,0,0,0,0|2,0,0]=4 768 B9R1.37 CN1C(=O)C[C@H](O)C1=O AMY30562 [0,2,0,0,0,0|2,0,0]=4 769 B9R1.37 CN1C(=O)C[C@H](O)C1=O AMY30563 [0,2,0,0,0,0|2,0,0]=4 770 B9R1.37 C[C@@H]1OC(=O)C(O)=C1O AMY9030 [0,2,0,0,0,0|2,0,0]=4 771 B9R1.37 O=C1O[C@H](O)C(Cl)=C1Cl AM804336 [0,2,0,0,0,0|2,0,0]=4 772 B9R1.38 CC1(C)CC(=O)OC1=O AM20090036 [0,2,0,0,0,0|2,0,0]=4 773 B9R1.27 CCC1=C(C)CNC1=O AM62801 [0,2,0,0,0,0|1,0,0]=3 774 B9R1.138 CC1(C)CNC(=O)C1=O AM90031 [0,2,0,0,0,0|1,0,1]=4 775 B9R1.138 CC1(C)COC(=O)C1=O AMY24290 [0,2,0,0,0,0|1,0,1]=4 776 B7R1.3 BrC1=CCCCC1 AMY38285 [0,0,1,1,0,0|1,0,1]=4 777 B7R1.3 Br[C@@H]1C=CCCC1 AM20080711 [0,0,1,1,0,0|1,0,1]=4 778 B7R1.3 CC1=CCNCC1 AMY33784 [0,0,1,1,0,0|1,0,1]=4 779 B7R1.3 CC1=CCOCC1 AMY5953 [0,0,1,1,0,0|0,0,2]=4 780 B7R1.3 CC1=COCCC1 AMY6007 [0,0,1,1,0,0|2,0,0]=4 781 B7R1.3 ClC1=CCCCC1 AM85974 [0,0,1,1,0,0|1,0,1]=4 782 B7R1.3 O=C1C=CCCN1 AMY9701 [0,0,1,1,0,0|1,0,0]=3 783 B7R1.3 O=C1C=CCOC1 AMY23659 [0,0,1,1,0,0|1,0,0]=3 784 B7R1.3 O=C1CCCCN1 AM20100626 [0,0,1,1,0,0|1,0,1]=4 785 B7R1.3 O=C1CCCNC1 AM20100504 [0,0,1,1,0,0|1,0,1]=4 786 B7R1.3 O=C1CCCNC1 AM81341 [0,0,1,1,0,0|1,0,1]=4 787 B7R1.3 O=C1CCCOC1 AM20090251 [0,0,1,1,0,0|1,0,1]=4 788 B7R1.3 O=C1CCCSC1 AM20090115 [0,0,1,1,0,0|1,0,1]=4 789 B7R1.3 O[C@@H]1C=CCCC1 AMY31935 [0,0,1,1,0,0|0,0,2]=4 790 B7R1.6 O=CC=C1COC1 AMY32069 [0,0,1,1,0,0|1,0,0]=3 791 B7R1.22 CCC(=O)C1CC1 AMY12334 [0,0,1,1,0,0|0,0,2]=4 792 B7R1.20 CC(=O)CC1CC1 AM20100099 [0,0,1,1,0,0|0,0,2]=4 793 B7R1.18 NC(=O)C1CCC1 AMY32785 [0,0,1,1,0,0|1,0,1]=4 794 B7R1.18 NC(=O)C1CNC1 AM20100716 [0,0,1,1,0,0|2,0,0]=4 795 B7R1.18 NC(=O)C1CNC1 AMY34027 [0,0,1,1,0,0|2,0,0]=4 796 B7R1.18 O=C(O)C1CCC1 AM62800 [0,0,1,1,0,0|1,0,1]=4 797 B7R1.18 O=C(O)C1CNC1 AM20090582 [0,0,1,1,0,0|2,0,0]=4 798 B7R1.18 O=C(O)C1CNC1 AMY4825 [0,0,1,1,0,0|2,0,0]=4 799 B7R1.18 O=C(O)C1COC1 AM84264 [0,0,1,1,0,0|2,0,0]=4 800 B7R1.18 O=C(O)C1CSC1 AM20100754 [0,0,1,1,0,0|2,0,0]=4 801 B9R2.25 O=C1OC(=O)C2CC12 AM20100382 [0,0,0,1,0,1|2,0,0]=4 802 B9R2.39 O=C1CC2CCC1C2 AMY10402 [0,0,0,1,0,1|0,0,2]=4 803 B9R2.39 O=C1CN2CCC1C2 AM20080170 [0,0,0,1,0,1|1,0,1]=4 804 B9R2.39 O=C1CN2CCC1C2 AM20090192 [0,0,0,1,0,1|1,0,1]=4 805 B5R0.5 C=C(C)C(=O)Cl AMY25816 [0,0,1,0,1,0|1,0,1]=4 806 B5R0.5 C=C(C)C(N)=O AMY13351 [0,0,1,0,1,0|1,0,1]=4 807 B5R0.5 CC(=O)C(=O)O AMY6082 [0,0,1,0,1,0|2,0,0]=4 808 B5R0.5 CC(=O)C(=O)[O-] AMY25534 [0,0,1,0,1,0|2,0,0]=4 809 B5R0.5 CC(=O)C(=O)[O-] AMY25673 [0,0,1,0,1,0|2,0,0]=4 810 B5R0.5 CC(=O)C(=O)[O-] AMY25702 [0,0,1,0,1,0|2,0,0]=4 811 B5R0.5 CC(=O)C(C)C AMY11021 [0,0,1,0,1,0|0,0,1]=3 812 B5R0.5 CC(=O)[C@H](C)F AMY5968 [0,0,1,0,1,0|1,0,1]=4 813 B5R1.2 C[C@H]1CCN1 AM806564 [1,0,0,0,1,0|1,0,1]=4 814 B5R1.2 O=C1CCC1 AM20070575 [1,0,0,0,1,0|0,0,1]=3 815 B5R1.2 O=C1CCN1 AMY18291 [1,0,0,0,1,0|1,0,0]=3 816 B5R1.2 O=C1CCO1 AM20020040 [1,0,0,0,1,0|1,0,0]=3 817 B5R1.2 O=C1CNC1 AM20090048 [1,0,0,0,1,0|1,0,1]=4 818 B5R1.2 O=C1CNC1 AM20100329 [1,0,0,0,1,0|1,0,1]=4 819 B5R1.2 O=C1COC1 AM20020042 [1,0,0,0,1,0|1,0,1]=4 820 B5R1.2 O=C1CSC1 AM20090216 [1,0,0,0,1,0|1,0,1]=4 821 B9R1.49 CN1CCCC(=O)CC1 AM20090140 [0,0,0,0,0,2|1,0,1]=4 822 B9R1.49 CN1CCNC(=O)CC1 AM20120571 [0,0,0,0,0,2|1,0,1]=4 823 B9R1.48 O=C1CCCCC(=O)C1 AM85496 [0,0,0,0,0,2|1,0,1]=4 824 B9R1.48 O=C1CCCCC(=O)O1 AMY41401 [0,0,0,0,0,2|2,0,0]=4